| 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 | 81.8 | Confident | 93.6 | Very high | 234 Ų | 234 | 104.6 Ų | 104.6 | 100% | 1.153 | 58% | 0.578 | S | S | * | * | 0 | 122.9 | 0 | -150.1 | 178 | -151 | 0 | 0 | 106 | |||||
| 2 | D | 92.7 | Very high | 93.5 | Very high | 134 Ų | 134 | 113.1 Ų | 113.1 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | trans | -79.1 | 125.6 | 176.8 | -177.7 | -6.4 | 0 | 0 | 0 | 108.9 | T4 | D2-T4 WeakPolarHBondContact OD1-CB 3.28Å; D2-T4 PolarHBondContact OD1-N 2.76Å; D2-T4 PolarHBondContact OD1-OG1 3.1Å; D2-T4 VanDerWaalsContact OD1-OG1 3.12Å | ||
| 3 | I | 95.6 | Very high | 93.5 | Very high | 109 Ų | 109 | 115.2 Ų | 115.2 | 56% | 0.559 | 60% | 0.604 | S | S | * | * | trans | -113.1 | 5.1 | -178.5 | 63.2 | 166.5 | 0 | 0 | 0 | 112.8 | N5 A6 F7 | I3-N5 PolarHBondContact O-N 2.89Å; I3-A6 PolarHBondContact O-N 3.42Å; I3-A6 VanDerWaalsContact O-N 3.1Å; I3-F7 WeakPolarHBondContact O-CB 3.47Å; I3-F7 PolarHBondContact O-N 3.29Å | ||
| 4 | T | 95.7 | Very high | 93.3 | Very high | 72 Ų | 72 | 110.9 Ų | 110.9 | 44% | 0.442 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.7 | -47.3 | -169.5 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | D2 A6 F7 F8 | D2-T4 WeakPolarHBondContact OD1-CB 3.28Å; D2-T4 PolarHBondContact OD1-N 2.76Å; D2-T4 PolarHBondContact OD1-OG1 3.1Å; D2-T4 VanDerWaalsContact OD1-OG1 3.12Å; T4-A6 PolarHBondContact O-N 3.09Å; T4-F7 PolarHBondContact O-N 3.32Å; T4-F8 HydrophobicContact CG2-CD2 3.83Å; T4-F8 HydrophobicContact CG2-CE2 3.62Å; T4-F8 VanDerWaalsContact O-CD2 3.23Å; T4-F8 WeakPolarHBondContact O-CD2 3.33Å; T4-F8 PolarHBondContact O-N 3.44Å; T4-F8 VanDerWaalsContact O-N 3.08Å |
| 5 | N | 95.5 | Very high | 93.3 | Very high | 131 Ų | 131 | 107.5 Ų | 107.5 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.9 | -36.5 | 178.1 | -71.4 | -30.2 | 0 | 0 | 0 | 113 | I3 S9 | I3-N5 PolarHBondContact O-N 2.89Å; N5-S9 WeakPolarHBondContact O-CB 3.45Å; N5-S9 PolarHBondContact O-N 2.83Å; N5-S9 VanDerWaalsContact O-N 3.09Å; N5-S9 PolarHBondContact O-OG 3.01Å |
| 6 | A | 94.9 | Very high | 93.3 | Very high | 64 Ų | 64 | 109.4 Ų | 109.4 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.6 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I3 T4 S9 A10 | I3-A6 PolarHBondContact O-N 3.42Å; I3-A6 VanDerWaalsContact O-N 3.1Å; T4-A6 PolarHBondContact O-N 3.09Å; A6-S9 PolarHBondContact O-N 3.03Å; A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 2.93Å |
| 7 | F | 94.7 | Very high | 93.2 | Very high | 121 Ų | 121 | 110.5 Ų | 110.5 | 53% | 0.531 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.8 | -54 | 175.9 | 179.5 | -98.4 | 0 | 0 | 0 | 111.6 | I3 T4 S9 A10 C11 | I3-F7 WeakPolarHBondContact O-CB 3.47Å; I3-F7 PolarHBondContact O-N 3.29Å; T4-F7 PolarHBondContact O-N 3.32Å; F7-S9 VanDerWaalsContact C-N 3.29Å; F7-S9 PolarHBondContact O-N 3.44Å; F7-A10 PolarHBondContact O-N 3.35Å; F7-A10 VanDerWaalsContact O-N 3.13Å; F7-C11 PolarHBondContact O-N 3.32Å; F7-C11 PolarHBondContact O-SG 3.17Å; F7-C11 VanDerWaalsContact O-SG 3.36Å |
| 8 | F | 95 | Very high | 93 | Very high | 131 Ų | 131 | 109.2 Ų | 109.2 | 58% | 0.575 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.3 | -35.6 | 178.5 | -76.7 | -62.5 | 0 | 0 | 0 | 113.1 | T4 R12 | T4-F8 HydrophobicContact CG2-CD2 3.83Å; T4-F8 HydrophobicContact CG2-CE2 3.62Å; T4-F8 VanDerWaalsContact O-CD2 3.23Å; T4-F8 WeakPolarHBondContact O-CD2 3.33Å; T4-F8 PolarHBondContact O-N 3.44Å; T4-F8 VanDerWaalsContact O-N 3.08Å; F8-R12 WeakPolarHBondContact O-CB 3.35Å; F8-R12 PolarHBondContact O-N 3.08Å |
| 9 | S | 95.1 | Very high | 92.9 | Very high | 56 Ų | 56 | 109.4 Ų | 109.4 | 39% | 0.392 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.2 | -42.6 | 175 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | N5 A6 F7 R12 I13 | N5-S9 WeakPolarHBondContact O-CB 3.45Å; N5-S9 PolarHBondContact O-N 2.83Å; N5-S9 VanDerWaalsContact O-N 3.09Å; N5-S9 PolarHBondContact O-OG 3.01Å; A6-S9 PolarHBondContact O-N 3.03Å; F7-S9 VanDerWaalsContact C-N 3.29Å; F7-S9 PolarHBondContact O-N 3.44Å; S9-R12 PolarHBondContact O-N 3.36Å; S9-I13 WeakPolarHBondContact O-CD1 3.4Å; S9-I13 VanDerWaalsContact O-CG1 3.28Å; S9-I13 WeakPolarHBondContact O-CG1 3.4Å; S9-I13 PolarHBondContact O-N 3.39Å |
| 10 | A | 94.8 | Very high | 92.7 | Very high | 61 Ų | 61 | 109.4 Ų | 109.4 | 50% | 0.504 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.2 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A6 F7 R12 I13 G14 | A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 2.93Å; F7-A10 PolarHBondContact O-N 3.35Å; F7-A10 VanDerWaalsContact O-N 3.13Å; A10-R12 PolarHBondContact O-N 3.13Å; A10-I13 PolarHBondContact O-N 3.47Å; A10-G14 PolarHBondContact O-N 2.92Å |
| 11 | C | 93.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 111.4 Ų | 111.4 | 26% | 0.257 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -59.5 | -44.3 | 175.8 | -65.3 | 0 | 0 | 0 | 0 | 112 | F7 I13 G14 L15 | F7-C11 PolarHBondContact O-N 3.32Å; F7-C11 PolarHBondContact O-SG 3.17Å; F7-C11 VanDerWaalsContact O-SG 3.36Å; C11-I13 VanDerWaalsContact C-N 3.29Å; C11-I13 PolarHBondContact O-N 3.12Å; C11-G14 PolarHBondContact O-N 2.82Å; C11-L15 HydrophobicContact CB-CD1 4.45Å; C11-L15 WeakPolarHBondContact O-CB 3.23Å; C11-L15 PolarHBondContact O-N 3.39Å |
| 12 | R | 92.1 | Very high | 93 | Very high | 206 Ų | 206 | 104.7 Ų | 104.7 | 78% | 0.777 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.5 | -32.3 | -179.8 | -170.3 | -178.4 | 71 | 175.7 | 0.8 | 113.3 | F8 S9 A10 | F8-R12 WeakPolarHBondContact O-CB 3.35Å; F8-R12 PolarHBondContact O-N 3.08Å; S9-R12 PolarHBondContact O-N 3.36Å; A10-R12 PolarHBondContact O-N 3.13Å |
| 13 | I | 93.4 | Very high | 92.9 | Very high | 141 Ų | 141 | 101.5 Ų | 101.5 | 72% | 0.723 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -86.8 | -33.6 | -179.1 | -64.1 | 167.3 | 0 | 0 | 0 | 111 | S9 A10 C11 | S9-I13 WeakPolarHBondContact O-CD1 3.4Å; S9-I13 VanDerWaalsContact O-CG1 3.28Å; S9-I13 WeakPolarHBondContact O-CG1 3.4Å; S9-I13 PolarHBondContact O-N 3.39Å; A10-I13 PolarHBondContact O-N 3.47Å; C11-I13 VanDerWaalsContact C-N 3.29Å; C11-I13 PolarHBondContact O-N 3.12Å |
| 14 | G | 91.4 | Very high | 92.6 | Very high | 55 Ų | 55 | 101.7 Ų | 101.7 | 57% | 0.567 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -107.2 | -5.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | A10 C11 | A10-G14 PolarHBondContact O-N 2.92Å; C11-G14 PolarHBondContact O-N 2.82Å |
| 15 | L | 93.7 | Very high | 92.2 | Very high | 59 Ų | 59 | 109.3 Ų | 109.3 | 31% | 0.309 | 61% | 0.605 | S | S | . | * | trans | -131.4 | 129 | 179.6 | -66.8 | 169.1 | 0 | 0 | 0 | 111.3 | C11 E19 L21 | C11-L15 HydrophobicContact CB-CD1 4.45Å; C11-L15 WeakPolarHBondContact O-CB 3.23Å; C11-L15 PolarHBondContact O-N 3.39Å; L15-E19 HydrophobicContact CD2-CB 3.89Å; L15-L21 HydrophobicContact CD1-CB 4.35Å; L15-L21 HydrophobicContact CD2-CB 4.24Å | ||
| 16 | E | 93.3 | Very high | 91.9 | Very high | 138 Ų | 138 | 106.8 Ų | 106.8 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | trans | -83.1 | 159.9 | 169.1 | -68.8 | -68.4 | 163.8 | 0 | 0 | 111.5 | G18 E19 | E16-G18 PolarHBondContact O-N 3.14Å; E16-G18 VanDerWaalsContact O-N 3.14Å; E16-E19 HydrophobicContact CB-CG 4.08Å; E16-E19 PolarHBondContact N-OE2 2.86Å; E16-E19 WeakPolarHBondContact O-CB 3.41Å; E16-E19 PolarHBondContact O-N 3Å | ||
| 17 | P | 91.1 | Very high | 91.6 | Very high | 129 Ų | 129 | 108 Ų | 108 | 84% | 0.838 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 120.3 | 176.7 | -25.1 | 34.8 | 0 | 0 | 0 | 112.6 | ||
| 18 | G | 89 | Confident | 91.3 | Very high | 87 Ų | 87 | 106.6 Ų | 106.6 | 90% | 0.897 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.7 | -7.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E16 | E16-G18 PolarHBondContact O-N 3.14Å; E16-G18 VanDerWaalsContact O-N 3.14Å |
| 19 | E | 91.7 | Very high | 90.9 | Very high | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | trans | -81.5 | 142.7 | 172.9 | -63.8 | -171.6 | 146.1 | 0 | 0 | 111.6 | L15 E16 | L15-E19 HydrophobicContact CD2-CB 3.89Å; E16-E19 HydrophobicContact CB-CG 4.08Å; E16-E19 PolarHBondContact N-OE2 2.86Å; E16-E19 WeakPolarHBondContact O-CB 3.41Å; E16-E19 PolarHBondContact O-N 3Å | ||
| 20 | L | 88.8 | Confident | 90.3 | Very high | 109 Ų | 109 | 111.8 Ų | 111.8 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | trans | -127.4 | 126 | -180 | -151.5 | 116.6 | 0 | 0 | 0 | 109.2 | H22 L28 | L20-H22 HydrophobicContact CD2-CB 4.22Å; L20-L28 HydrophobicContact CD2-CD2 4.07Å | ||
| 21 | L | 89.8 | Confident | 89.8 | Confident | 153 Ų | 153 | 111.5 Ų | 111.5 | 80% | 0.801 | 59% | 0.592 | S | S | * | * | trans | -89.5 | 112.1 | 174.3 | -172.3 | 68.8 | 0 | 0 | 0 | 109.5 | L15 | L15-L21 HydrophobicContact CD1-CB 4.35Å; L15-L21 HydrophobicContact CD2-CB 4.24Å | ||
| 22 | H | 90.1 | Very high | 89.3 | Confident | 92 Ų | 92 | 117.4 Ų | 117.4 | 43% | 0.426 | 62% | 0.617 | S | S | . | * | trans | -144.5 | 171.1 | 175.2 | 62.7 | 91.6 | 0 | 0 | 0 | 110.8 | L20 F26 | L20-H22 HydrophobicContact CD2-CB 4.22Å; H22-F26 HydrophobicContact CB-CB 4.28Å; H22-F26 HydrophobicContact CB-CD1 3.85Å; H22-F26 HydrophobicContact CB-CG 4.36Å; H22-F26 PolarHBondContact CE1-O 3.39Å; H22-F26 AromaticContact CG-CD1 3.98Å; H22-F26 AromaticContact ND1-CD1 3.99Å; H22-F26 PolarHBondContact ND1-O 2.9Å | ||
| 23 | S | 91 | Very high | 88.7 | Confident | 68 Ų | 68 | 111.7 Ų | 111.7 | 48% | 0.476 | 61% | 0.609 | S | S | . | * | trans | -72.5 | 156.2 | 175.1 | 74.3 | 0 | 0 | 0 | 0 | 111.1 | W25 F26 | S23-W25 PolarHBondContact O-N 3.34Å; S23-W25 VanDerWaalsContact O-N 3.08Å; S23-F26 PolarHBondContact O-N 3.03Å; S23-F26 VanDerWaalsContact O-N 3.12Å; S23-F26 PolarHBondContact OG-N 3.43Å | ||
| 24 | S | 89.3 | Confident | 88.1 | Confident | 112 Ų | 112 | 107.9 Ų | 107.9 | 78% | 0.783 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -14.4 | 179.3 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 25 | W | 88.6 | Confident | 87.4 | Confident | 233 Ų | 233 | 109.4 Ų | 109.4 | 88% | 0.883 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -8.6 | -178.7 | -56.4 | 68.7 | 0 | 0 | 0 | 112.1 | S23 | S23-W25 PolarHBondContact O-N 3.34Å; S23-W25 VanDerWaalsContact O-N 3.08Å |
| 26 | F | 88.4 | Confident | 86.9 | Confident | 77 Ų | 77 | 112.6 Ų | 112.6 | 34% | 0.338 | 61% | 0.606 | S | S | . | * | trans | -87.5 | 118.2 | -179.6 | -176.8 | -95.1 | 0 | 0 | 0 | 110 | H22 S23 | H22-F26 HydrophobicContact CB-CB 4.28Å; H22-F26 HydrophobicContact CB-CD1 3.85Å; H22-F26 HydrophobicContact CB-CG 4.36Å; H22-F26 PolarHBondContact CE1-O 3.39Å; H22-F26 AromaticContact CG-CD1 3.98Å; H22-F26 AromaticContact ND1-CD1 3.99Å; H22-F26 PolarHBondContact ND1-O 2.9Å; S23-F26 PolarHBondContact O-N 3.03Å; S23-F26 VanDerWaalsContact O-N 3.12Å; S23-F26 PolarHBondContact OG-N 3.43Å | ||
| 27 | D | 88.5 | Confident | 86.4 | Confident | 89 Ų | 89 | 111 Ų | 111 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | trans | -91.8 | 139.3 | 169.1 | -163 | -37.6 | 0 | 0 | 0 | 110.2 | Q29 Y30 | D27-Q29 PolarHBondContact O-N 2.99Å; D27-Q29 VanDerWaalsContact O-N 3.13Å; D27-Q29 PolarHBondContact OD1-N 3.39Å; D27-Y30 HydrophobicContact CB-CD2 3.87Å; D27-Y30 HydrophobicContact CB-CE2 3.94Å; D27-Y30 WeakPolarHBondContact O-CD2 3.48Å; D27-Y30 PolarHBondContact O-N 2.88Å | ||
| 28 | L | 88.4 | Confident | 85.9 | Confident | 92 Ų | 92 | 112.4 Ų | 112.4 | 48% | 0.482 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -59 | -21.7 | 173.5 | -74.4 | 168.4 | 0 | 0 | 0 | 112.5 | L20 Y30 S31 | L20-L28 HydrophobicContact CD2-CD2 4.07Å; L28-Y30 PolarHBondContact O-N 3.44Å; L28-S31 WeakPolarHBondContact O-CB 3.09Å; L28-S31 PolarHBondContact O-N 2.73Å; L28-S31 PolarHBondContact O-OG 3.48Å |
| 29 | Q | 86.3 | Confident | 85.5 | Confident | 139 Ų | 139 | 110.4 Ų | 110.4 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -55.6 | -36.3 | 172.3 | -172.6 | 176.3 | -6 | 0 | 0 | 112.4 | D27 S31 M32 | D27-Q29 PolarHBondContact O-N 2.99Å; D27-Q29 VanDerWaalsContact O-N 3.13Å; D27-Q29 PolarHBondContact OD1-N 3.39Å; Q29-S31 PolarHBondContact O-N 2.94Å; Q29-M32 WeakPolarHBondContact O-CB 3.29Å; Q29-M32 PolarHBondContact O-N 3.16Å |
| 30 | Y | 83.6 | Confident | 84.6 | Confident | 157 Ų | 157 | 109 Ų | 109 | 62% | 0.616 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -66.9 | -25.7 | 177 | -64.7 | -70.7 | 0 | 0 | 0 | 112.9 | D27 L28 M32 S33 | D27-Y30 HydrophobicContact CB-CD2 3.87Å; D27-Y30 HydrophobicContact CB-CE2 3.94Å; D27-Y30 WeakPolarHBondContact O-CD2 3.48Å; D27-Y30 PolarHBondContact O-N 2.88Å; L28-Y30 PolarHBondContact O-N 3.44Å; Y30-M32 PolarHBondContact O-N 3.11Å; Y30-S33 PolarHBondContact O-OG 2.61Å |
| 31 | S | 83.7 | Confident | 83.8 | Confident | 56 Ų | 56 | 112.1 Ų | 112.1 | 39% | 0.392 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -71.4 | -18.9 | 177.6 | 74.3 | 0 | 0 | 0 | 0 | 113 | L28 Q29 S33 A34 | L28-S31 WeakPolarHBondContact O-CB 3.09Å; L28-S31 PolarHBondContact O-N 2.73Å; L28-S31 PolarHBondContact O-OG 3.48Å; Q29-S31 PolarHBondContact O-N 2.94Å; S31-S33 PolarHBondContact O-N 3.17Å; S31-A34 VanDerWaalsContact O-CB 3.24Å; S31-A34 WeakPolarHBondContact O-CB 3.4Å; S31-A34 PolarHBondContact O-N 3.45Å; S31-A34 VanDerWaalsContact O-N 3.1Å |
| 32 | M | 83.1 | Confident | 83 | Confident | 161 Ų | 161 | 108.3 Ų | 108.3 | 79% | 0.793 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -67.4 | -19.7 | -179.8 | -63 | -175.6 | 64.3 | 0 | 0 | 113.6 | Q29 Y30 | Q29-M32 WeakPolarHBondContact O-CB 3.29Å; Q29-M32 PolarHBondContact O-N 3.16Å; Y30-M32 PolarHBondContact O-N 3.11Å |
| 33 | S | 79 | Confident | 82.2 | Confident | 87 Ų | 87 | 105 Ų | 105 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -100 | 2.6 | 175 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | Y30 S31 | Y30-S33 PolarHBondContact O-OG 2.61Å; S31-S33 PolarHBondContact O-N 3.17Å |
| 34 | A | 80.8 | Confident | 80.9 | Confident | 60 Ų | 60 | 103 Ų | 103 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | trans | -68.2 | 147.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | S31 | S31-A34 VanDerWaalsContact O-CB 3.24Å; S31-A34 WeakPolarHBondContact O-CB 3.4Å; S31-A34 PolarHBondContact O-N 3.45Å; S31-A34 VanDerWaalsContact O-N 3.1Å | ||
| 35 | I | 77.6 | Confident | 79.8 | Confident | 87 Ų | 87 | 107.4 Ų | 107.4 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | trans | -87.8 | 131.3 | 176.1 | -53.5 | 178.4 | 0 | 0 | 0 | 109.1 | M42 P334 | I35-M42 HydrophobicContact CG2-CB 4.31Å; I35-P334 HydrophobicContact CD1-CB 3.53Å; I35-P334 HydrophobicContact CD1-CG 3.57Å; I35-P334 HydrophobicContact CG1-CB 3.44Å; I35-P334 VanDerWaalsContact CG1-CB 3.44Å; I35-P334 HydrophobicContact CG1-CG 3.46Å; I35-P334 VanDerWaalsContact CG1-CG 3.46Å | ||
| 36 | E | 83 | Confident | 78.9 | Confident | 126 Ų | 126 | 99.2 Ų | 99.2 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | trans | -87.4 | 108.9 | 167.2 | -170.8 | 169.7 | -173.2 | 0 | 0 | 110 | D39 M42 | E36-D39 HydrophobicContact CB-CB 3.99Å; E36-D39 HydrophobicContact CG-CB 4.01Å; E36-D39 PolarHBondContact O-N 3.35Å; E36-M42 HydrophobicContact CB-CB 4.35Å | ||
| 37 | V | 83.2 | Confident | 77.7 | Confident | 104 Ų | 104 | 99 Ų | 99 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 142.2 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | D39 D43 | V37-D39 PolarHBondContact O-N 3.23Å; V37-D43 WeakPolarHBondContact CG1-OD2 3.31Å |
| 38 | M | 80.4 | Confident | 76.5 | Confident | 160 Ų | 160 | 96.8 Ų | 96.8 | 79% | 0.788 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 4.6 | -173.8 | -55 | -172.2 | -72.7 | 0 | 0 | 116.3 | D43 I46 | M38-D43 PolarHBondContact N-OD2 3.28Å; M38-I46 HydrophobicContact CB-CD1 4.28Å; M38-I46 WeakPolarHBondContact O-CD1 3.3Å |
| 39 | D | 80.2 | Confident | 75.5 | Confident | 45 Ų | 45 | 101 Ų | 101 | 24% | 0.241 | 53% | 0.527 | C | S | . | . | trans | -90.1 | 121.1 | 165 | -178.4 | -70.6 | 0 | 0 | 0 | 111.6 | E36 V37 K41 M42 D43 I46 | E36-D39 HydrophobicContact CB-CB 3.99Å; E36-D39 HydrophobicContact CG-CB 4.01Å; E36-D39 PolarHBondContact O-N 3.35Å; V37-D39 PolarHBondContact O-N 3.23Å; D39-K41 PolarHBondContact O-N 2.93Å; D39-K41 VanDerWaalsContact O-N 3.11Å; D39-K41 VanDerWaalsContact OD1-CA 3.24Å; D39-K41 WeakPolarHBondContact OD1-CA 3.32Å; D39-K41 WeakPolarHBondContact OD1-CB 3.41Å; D39-K41 PolarHBondContact OD1-N 3.46Å; D39-M42 HydrophobicContact CB-CB 4.16Å; D39-M42 HydrophobicContact CB-CG 4.39Å; D39-M42 PolarHBondContact O-N 2.69Å; D39-M42 VanDerWaalsContact O-N 3.17Å; D39-M42 PolarHBondContact OD1-N 3.12Å; D39-D43 WeakPolarHBondContact O-CA 3.42Å; D39-D43 VanDerWaalsContact O-CB 3.27Å; D39-D43 WeakPolarHBondContact O-CB 3.48Å; D39-D43 PolarHBondContact O-N 2.89Å; D39-I46 VanDerWaalsContact C-CD1 3.4Å | ||
| 40 | P | 72.1 | Confident | 75.3 | Confident | 82 Ų | 82 | 96.9 Ų | 96.9 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.8 | -177.2 | -24.2 | 32.6 | 0 | 0 | 0 | 115.2 | I46 K338 | P40-I46 HydrophobicContact CB-CG2 4.23Å; P40-I46 HydrophobicContact CG-CD1 4.46Å; P40-I46 HydrophobicContact CG-CG2 4.14Å; P40-K338 PolarHBondContact O-NZ 3.08Å; P40-K338 VanDerWaalsContact O-NZ 3.12Å |
| 41 | K | 71.8 | Confident | 75.2 | Confident | 175 Ų | 175 | 96.6 Ų | 96.6 | 76% | 0.761 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -32.6 | 178.3 | -59 | 177.9 | 179.5 | 175 | 0 | 112.1 | D39 K338 | D39-K41 PolarHBondContact O-N 2.93Å; D39-K41 VanDerWaalsContact O-N 3.11Å; D39-K41 VanDerWaalsContact OD1-CA 3.24Å; D39-K41 WeakPolarHBondContact OD1-CA 3.32Å; D39-K41 WeakPolarHBondContact OD1-CB 3.41Å; D39-K41 PolarHBondContact OD1-N 3.46Å; K41-K338 WeakPolarHBondContact O-CE 3.2Å; K41-K338 PolarHBondContact O-NZ 2.7Å |
| 42 | M | 73.5 | Confident | 75.1 | Confident | 73 Ų | 73 | 95.2 Ų | 95.2 | 36% | 0.36 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -39.5 | -177.9 | -58 | -60.4 | -72.8 | 0 | 0 | 113.3 | I35 E36 D39 A44 K338 | I35-M42 HydrophobicContact CG2-CB 4.31Å; E36-M42 HydrophobicContact CB-CB 4.35Å; D39-M42 HydrophobicContact CB-CB 4.16Å; D39-M42 HydrophobicContact CB-CG 4.39Å; D39-M42 PolarHBondContact O-N 2.69Å; D39-M42 VanDerWaalsContact O-N 3.17Å; D39-M42 PolarHBondContact OD1-N 3.12Å; M42-A44 PolarHBondContact O-N 2.75Å; M42-K338 WeakPolarHBondContact O-CE 3.24Å; M42-K338 PolarHBondContact O-NZ 2.97Å |
| 43 | D | 73 | Confident | 75.2 | Confident | 23 Ų | 23 | 89.1 Ų | 89.1 | 12% | 0.123 | 47% | 0.466 | C | S | . | . | trans | -85.3 | 112.3 | -179.6 | -169.3 | -16.2 | 0 | 0 | 0 | 111.3 | V37 M38 D39 R45 I46 K338 | V37-D43 WeakPolarHBondContact CG1-OD2 3.31Å; M38-D43 PolarHBondContact N-OD2 3.28Å; D39-D43 WeakPolarHBondContact O-CA 3.42Å; D39-D43 VanDerWaalsContact O-CB 3.27Å; D39-D43 WeakPolarHBondContact O-CB 3.48Å; D39-D43 PolarHBondContact O-N 2.89Å; D43-R45 PolarHBondContact O-N 3.11Å; D43-R45 WeakPolarHBondContact OD1-CB 3.48Å; D43-R45 PolarHBondContact OD1-N 3.12Å; D43-I46 HydrophobicContact CB-CD1 3.8Å; D43-I46 HydrophobicContact CB-CG1 3.97Å; D43-I46 PolarHBondContact O-N 3.17Å; D43-K338 PolarHBondContact O-NZ 2.84Å | ||
| 44 | A | 65.1 | Low | 75.7 | Confident | 26 Ų | 26 | 87.8 Ų | 87.8 | 22% | 0.215 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M42 Q47 Q329 | M42-A44 PolarHBondContact O-N 2.75Å; A44-Q47 WeakPolarHBondContact O-CG 3.27Å; A44-Q47 PolarHBondContact O-NE2 2.77Å; A44-Q329 HydrophobicContact CB-CB 4.17Å; A44-Q329 PolarHBondContact O-OE1 3.3Å |
| 45 | R | 66.2 | Low | 76.2 | Confident | 204 Ų | 204 | 85.4 Ų | 85.4 | 77% | 0.77 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12 | -175.3 | -62.2 | -171.8 | 177.2 | -149.2 | -0.6 | 114 | D43 Q47 | D43-R45 PolarHBondContact O-N 3.11Å; D43-R45 WeakPolarHBondContact OD1-CB 3.48Å; D43-R45 PolarHBondContact OD1-N 3.12Å; R45-Q47 VanDerWaalsContact C-N 3.29Å; R45-Q47 PolarHBondContact O-N 3.31Å |
| 46 | I | 68.5 | Low | 76.9 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | trans | -84.3 | 83.6 | 173.3 | -54.4 | 170.7 | 0 | 0 | 0 | 108.4 | M38 D39 P40 D43 | M38-I46 HydrophobicContact CB-CD1 4.28Å; M38-I46 WeakPolarHBondContact O-CD1 3.3Å; D39-I46 VanDerWaalsContact C-CD1 3.4Å; P40-I46 HydrophobicContact CB-CG2 4.23Å; P40-I46 HydrophobicContact CG-CD1 4.46Å; P40-I46 HydrophobicContact CG-CG2 4.14Å; D43-I46 HydrophobicContact CB-CD1 3.8Å; D43-I46 HydrophobicContact CB-CG1 3.97Å; D43-I46 PolarHBondContact O-N 3.17Å | ||
| 47 | Q | 63.1 | Low | 77.4 | Confident | 74 Ų | 74 | 79.9 Ų | 79.9 | 35% | 0.346 | 41% | 0.409 | S | S | . | . | trans | -98.7 | 160.7 | -178.8 | -69.3 | 155.6 | -6.4 | 0 | 0 | 110 | A44 R45 I52 | A44-Q47 WeakPolarHBondContact O-CG 3.27Å; A44-Q47 PolarHBondContact O-NE2 2.77Å; R45-Q47 VanDerWaalsContact C-N 3.29Å; R45-Q47 PolarHBondContact O-N 3.31Å; Q47-I52 HydrophobicContact CG-CD1 4.27Å | ||
| 48 | G | 64.2 | Low | 77.8 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | trans | -64.1 | -175.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R50 | G48-R50 PolarHBondContact O-N 3.34Š| ||
| 49 | N | 67.8 | Low | 78.4 | Confident | 182 Ų | 182 | 68.5 Ų | 68.5 | 97% | 0.973 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -63.3 | -6.8 | -174 | -64.2 | -19.1 | 0 | 0 | 0 | 115.2 | ||
| 50 | R | 81.4 | Confident | 78.9 | Confident | 52 Ų | 52 | 70.2 Ų | 70.2 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -84 | 121.5 | -179 | -170.3 | -175.3 | 99.9 | 151.5 | 6.7 | 110.8 | G48 I52 P313 A316 A317 E324 | G48-R50 PolarHBondContact O-N 3.34Å; R50-I52 PolarHBondContact O-N 3.42Å; R50-P313 VanDerWaalsContact CZ-O 3.28Å; R50-P313 PolarHBondContact NE-O 3.23Å; R50-P313 PolarHBondContact NH1-O 3.42Å; R50-A316 PolarHBondContact NH1-O 3.46Å; R50-A317 VanDerWaalsContact NH1-CA 3.31Å; R50-E324 IonicContact CZ-OE1 3.87Å; R50-E324 IonicContact CZ-OE2 3.58Å; R50-E324 IonicContact NH2-OE1 2.66Å; R50-E324 PolarHBondContact NH2-OE1 3.2Å; R50-E324 IonicContact NH2-OE2 2.62Å; R50-E324 PolarHBondContact NH2-OE2 2.99Å |
| 51 | K | 81 | Confident | 79.7 | Confident | 151 Ų | 151 | 69.1 Ų | 69.1 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 127.3 | 170.3 | -171.5 | -172.1 | 174.1 | -159.2 | 0 | 109.9 | E57 | K51-E57 VanDerWaalsContact CE-OE2 3.29Å; K51-E57 WeakPolarHBondContact CE-OE2 3.39Å; K51-E57 IonicContact NZ-OE2 2.73Å; K51-E57 PolarHBondContact NZ-OE2 3.25Å |
| 52 | I | 81.1 | Confident | 80.5 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 14% | 0.138 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 135.6 | 168.5 | -62.3 | 175 | 0 | 0 | 0 | 108.9 | Q47 R50 E324 F326 | Q47-I52 HydrophobicContact CG-CD1 4.27Å; R50-I52 PolarHBondContact O-N 3.42Å; I52-E324 HydrophobicContact CG2-CG 3.76Å; I52-F326 HydrophobicContact CD1-CB 3.18Å; I52-F326 HydrophobicContact CD1-CD2 4.17Å; I52-F326 HydrophobicContact CD1-CG 3.99Å; I52-F326 HydrophobicContact CG1-CB 3.9Å; I52-F326 HydrophobicContact CG1-CD2 4.29Å |
| 53 | V | 86.4 | Confident | 81.2 | Confident | 32 Ų | 32 | 71.7 Ų | 71.7 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -98.1 | 121.6 | 173.3 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | E57 A58 M103 | V53-E57 HydrophobicContact CG1-CB 3.84Å; V53-A58 HydrophobicContact CG1-CB 3.76Å; V53-M103 WeakPolarHBondContact O-CE 3.38Å |
| 54 | T | 89.7 | Confident | 82.2 | Confident | 60 Ų | 60 | 71 Ų | 71 | 37% | 0.368 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 163.2 | 174 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | C56 E57 A58 | T54-C56 VanDerWaalsContact C-N 3.3Å; T54-C56 PolarHBondContact O-N 2.98Å; T54-E57 PolarHBondContact O-N 3.07Å; T54-E57 VanDerWaalsContact O-N 3.17Å; T54-E57 WeakPolarHBondContact OG1-CB 3.35Å; T54-E57 VanDerWaalsContact OG1-CG 3.31Å; T54-E57 WeakPolarHBondContact OG1-CG 3.3Å; T54-E57 PolarHBondContact OG1-N 2.87Å; T54-E57 VanDerWaalsContact OG1-N 3.16Å; T54-A58 WeakPolarHBondContact O-CB 3.48Å; T54-A58 PolarHBondContact O-N 3.14Å |
| 55 | V | 91.9 | Very high | 83.5 | Confident | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.055 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.4 | -46.1 | 176.2 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | E57 A58 L59 M103 H106 F161 L327 | V55-E57 PolarHBondContact O-N 3.29Å; V55-A58 PolarHBondContact O-N 2.95Å; V55-L59 HydrophobicContact CG1-CD1 3.96Å; V55-L59 HydrophobicContact CG1-CG 4.4Å; V55-L59 WeakPolarHBondContact O-CB 3.29Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.39Å; V55-L59 PolarHBondContact O-N 3.13Å; V55-M103 HydrophobicContact CG2-CB 4.42Å; V55-M103 HydrophobicContact CG2-CG 4.22Å; V55-H106 HydrophobicContact CG2-CB 4.15Å; V55-F161 HydrophobicContact CB-CE1 3.79Å; V55-F161 HydrophobicContact CB-CZ 3.99Å; V55-F161 HydrophobicContact CG1-CD1 4.09Å; V55-F161 HydrophobicContact CG1-CE1 3.56Å; V55-F161 HydrophobicContact CG1-CZ 3.84Å; V55-F161 HydrophobicContact CG2-CZ 4.4Å; V55-L327 HydrophobicContact CG2-CD1 3.95Å; V55-L327 HydrophobicContact CG2-CD2 3.95Å; V55-L327 HydrophobicContact CG2-CG 4.36Å |
| 56 | C | 91.7 | Very high | 84.8 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 177.5 | -66 | 0 | 0 | 0 | 0 | 112.5 | T54 S60 M160 Y164 | T54-C56 VanDerWaalsContact C-N 3.3Å; T54-C56 PolarHBondContact O-N 2.98Å; C56-S60 VanDerWaalsContact O-CB 3.32Å; C56-S60 WeakPolarHBondContact O-CB 3.17Å; C56-S60 PolarHBondContact O-N 2.61Å; C56-S60 PolarHBondContact O-OG 3.25Å; C56-M160 WeakPolarHBondContact SG-CE 3.45Å; C56-Y164 WeakPolarHBondContact CB-OH 3.24Å; C56-Y164 PolarHBondContact SG-OH 3.1Å; C56-Y164 VanDerWaalsContact SG-OH 3.37Å |
| 57 | E | 92.2 | Very high | 85.6 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 176.4 | -76.6 | 178.4 | -141 | 0 | 0 | 111.4 | K51 V53 T54 V55 L59 S60 S61 | K51-E57 VanDerWaalsContact CE-OE2 3.29Å; K51-E57 WeakPolarHBondContact CE-OE2 3.39Å; K51-E57 IonicContact NZ-OE2 2.73Å; K51-E57 PolarHBondContact NZ-OE2 3.25Å; V53-E57 HydrophobicContact CG1-CB 3.84Å; T54-E57 PolarHBondContact O-N 3.07Å; T54-E57 VanDerWaalsContact O-N 3.17Å; T54-E57 WeakPolarHBondContact OG1-CB 3.35Å; T54-E57 VanDerWaalsContact OG1-CG 3.31Å; T54-E57 WeakPolarHBondContact OG1-CG 3.3Å; T54-E57 PolarHBondContact OG1-N 2.87Å; T54-E57 VanDerWaalsContact OG1-N 3.16Å; V55-E57 PolarHBondContact O-N 3.29Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 3.36Å; E57-S60 PolarHBondContact O-N 3.27Å; E57-S61 VanDerWaalsContact O-CB 3.3Å; E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 2.89Å; E57-S61 PolarHBondContact O-OG 3.25Å |
| 58 | A | 92.9 | Very high | 86.8 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V53 T54 V55 E62 Q63 L64 M103 | V53-A58 HydrophobicContact CG1-CB 3.76Å; T54-A58 WeakPolarHBondContact O-CB 3.48Å; T54-A58 PolarHBondContact O-N 3.14Å; V55-A58 PolarHBondContact O-N 2.95Å; A58-E62 PolarHBondContact O-N 3.14Å; A58-Q63 PolarHBondContact O-N 3.31Å; A58-L64 HydrophobicContact CB-CB 3.96Å; A58-L64 PolarHBondContact O-N 3.23Å; A58-M103 HydrophobicContact CB-CE 4.28Å; A58-M103 HydrophobicContact CB-SD 3.71Å |
| 59 | L | 92.3 | Very high | 88.1 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.4 | -50.1 | 173.4 | -70.3 | 170 | 0 | 0 | 0 | 111.5 | V55 E57 S61 E62 L64 L66 L110 F161 Y164 | V55-L59 HydrophobicContact CG1-CD1 3.96Å; V55-L59 HydrophobicContact CG1-CG 4.4Å; V55-L59 WeakPolarHBondContact O-CB 3.29Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.39Å; V55-L59 PolarHBondContact O-N 3.13Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 3.36Å; L59-S61 PolarHBondContact O-N 3.05Å; L59-E62 PolarHBondContact O-N 3.37Å; L59-E62 VanDerWaalsContact O-N 3.14Å; L59-L64 HydrophobicContact CD2-CD2 4.08Å; L59-L66 HydrophobicContact CD2-CD1 4.07Å; L59-L66 HydrophobicContact CD2-CD2 4.11Å; L59-L66 HydrophobicContact CD2-CG 4.44Å; L59-L110 HydrophobicContact CD1-CD1 3.99Å; L59-L110 HydrophobicContact CD2-CD1 4.17Å; L59-F161 HydrophobicContact CD1-CD1 3.97Å; L59-Y164 HydrophobicContact CB-CD1 4.18Å; L59-Y164 HydrophobicContact CB-CG 4.38Å; L59-Y164 HydrophobicContact CD1-CD2 4.17Å; L59-Y164 HydrophobicContact CD1-CG 4.12Å |
| 60 | S | 90.5 | Very high | 89 | Confident | 82 Ų | 82 | 56 Ų | 56 | 57% | 0.573 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.6 | -29.4 | -177.3 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | C56 E57 Y164 | C56-S60 VanDerWaalsContact O-CB 3.32Å; C56-S60 WeakPolarHBondContact O-CB 3.17Å; C56-S60 PolarHBondContact O-N 2.61Å; C56-S60 PolarHBondContact O-OG 3.25Å; E57-S60 PolarHBondContact O-N 3.27Å; S60-Y164 WeakPolarHBondContact OG-CE1 3.5Å |
| 61 | S | 90.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 5.5 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | E57 L59 Q63 | E57-S61 VanDerWaalsContact O-CB 3.3Å; E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 2.89Å; E57-S61 PolarHBondContact O-OG 3.25Å; L59-S61 PolarHBondContact O-N 3.05Å; S61-Q63 PolarHBondContact O-N 3.33Å; S61-Q63 VanDerWaalsContact O-N 3.11Å; S61-Q63 VanDerWaalsContact OG-CG 3.29Å; S61-Q63 WeakPolarHBondContact OG-CG 3.36Å |
| 62 | E | 86.9 | Confident | 90 | Very high | 177 Ų | 177 | 48.1 Ų | 48.1 | 83% | 0.827 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 26.2 | -177 | -58.2 | -176.9 | 176.2 | 0 | 0 | 113.9 | A58 L59 | A58-E62 PolarHBondContact O-N 3.14Å; L59-E62 PolarHBondContact O-N 3.37Å; L59-E62 VanDerWaalsContact O-N 3.14Å |
| 63 | Q | 89.4 | Confident | 90.6 | Very high | 124 Ų | 124 | 51.4 Ų | 51.4 | 58% | 0.579 | 29% | 0.294 | S | S | * | . | trans | -80 | -21.4 | 177.4 | -71.6 | 179.6 | 9.3 | 0 | 0 | 113 | A58 S61 P65 | A58-Q63 PolarHBondContact O-N 3.31Å; S61-Q63 PolarHBondContact O-N 3.33Å; S61-Q63 VanDerWaalsContact O-N 3.11Å; S61-Q63 VanDerWaalsContact OG-CG 3.29Å; S61-Q63 WeakPolarHBondContact OG-CG 3.36Å; Q63-P65 VanDerWaalsContact O-CD 3.24Å; Q63-P65 WeakPolarHBondContact O-CD 3.25Å | ||
| 64 | L | 93.8 | Very high | 91 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -92.5 | 104.9 | 175.3 | -176.3 | 65.2 | 0 | 0 | 0 | 109.7 | A58 L59 L66 M103 Y104 G322 | A58-L64 HydrophobicContact CB-CB 3.96Å; A58-L64 PolarHBondContact O-N 3.23Å; L59-L64 HydrophobicContact CD2-CD2 4.08Å; L64-L66 HydrophobicContact CD2-CD2 4.11Å; L64-L66 HydrophobicContact CG-CD2 4.26Å; L64-L66 PolarHBondContact O-N 3.11Å; L64-L66 VanDerWaalsContact O-N 3.09Å; L64-M103 HydrophobicContact CD1-CB 4.01Å; L64-M103 HydrophobicContact CD1-SD 4.21Å; L64-M103 HydrophobicContact CD2-CB 3.94Å; L64-Y104 HydrophobicContact CD1-CD1 4.28Å; L64-Y104 HydrophobicContact CD1-CE1 3.65Å; L64-Y104 HydrophobicContact CD1-CE2 4.07Å; L64-Y104 HydrophobicContact CD2-CE1 4.42Å; L64-Y104 HydrophobicContact CG-CE1 3.93Å; L64-G322 VanDerWaalsContact CD1-CA 3.42Å |
| 65 | P | 93.2 | Very high | 91.3 | Very high | 49 Ų | 49 | 49.3 Ų | 49.3 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | trans | -69 | 112.8 | 178 | 25.3 | -29.8 | 0 | 0 | 0 | 109.5 | Q63 G67 F69 Y104 P321 | Q63-P65 VanDerWaalsContact O-CD 3.24Å; Q63-P65 WeakPolarHBondContact O-CD 3.25Å; P65-G67 VanDerWaalsContact C-N 3.28Å; P65-F69 HydrophobicContact CB-CE1 4.23Å; P65-F69 HydrophobicContact CB-CZ 4.21Å; P65-F69 HydrophobicContact CG-CE1 3.93Å; P65-F69 HydrophobicContact CG-CZ 3.98Å; P65-Y104 WeakPolarHBondContact CD-OH 3.21Å; P65-Y104 WeakPolarHBondContact CG-OH 3.18Å; P65-Y104 WeakPolarHBondContact O-CE1 3.4Å; P65-Y104 PolarHBondContact O-OH 2.92Å; P65-P321 HydrophobicContact CG-CB 3.74Å; P65-P321 HydrophobicContact CG-CG 4.34Å | ||
| 66 | L | 91.8 | Very high | 91.5 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | trans | -82.1 | -9.2 | 177.2 | -62.4 | 176.7 | 0 | 0 | 0 | 112.8 | L59 L64 L110 R112 D113 | L59-L66 HydrophobicContact CD2-CD1 4.07Å; L59-L66 HydrophobicContact CD2-CD2 4.11Å; L59-L66 HydrophobicContact CD2-CG 4.44Å; L64-L66 HydrophobicContact CD2-CD2 4.11Å; L64-L66 HydrophobicContact CG-CD2 4.26Å; L64-L66 PolarHBondContact O-N 3.11Å; L64-L66 VanDerWaalsContact O-N 3.09Å; L66-L110 HydrophobicContact CD1-CB 4.24Å; L66-L110 HydrophobicContact CD2-CB 4.39Å; L66-R112 HydrophobicContact CB-CG 4.25Å; L66-R112 WeakPolarHBondContact O-CA 3.42Å; L66-R112 WeakPolarHBondContact O-CB 3.46Å; L66-R112 PolarHBondContact O-N 2.95Å; L66-D113 PolarHBondContact O-N 2.96Å | ||
| 67 | G | 86 | Confident | 91.7 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 95.1 | -178 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P65 | P65-G67 VanDerWaalsContact C-N 3.28Š|
| 68 | P | 87.9 | Confident | 92 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 55% | 0.545 | 25% | 0.25 | S | S | . | . | cis | -68.8 | 146.4 | 2 | 27.9 | -34.1 | 0 | 0 | 0 | 113.4 | M197 | P68-M197 HydrophobicContact CB-CE 3.47Å; P68-M197 VanDerWaalsContact CB-CE 3.47Å; P68-M197 HydrophobicContact CG-CE 4.18Å | ||
| 69 | F | 91.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 44 Ų | 44 | 6% | 0.057 | 25% | 0.249 | C | C | . | . | trans | -79.4 | 127.4 | 178.4 | -76.3 | -95.3 | 0 | 0 | 0 | 111.3 | P65 L75 I78 Y104 D113 L116 P321 | P65-F69 HydrophobicContact CB-CE1 4.23Å; P65-F69 HydrophobicContact CB-CZ 4.21Å; P65-F69 HydrophobicContact CG-CE1 3.93Å; P65-F69 HydrophobicContact CG-CZ 3.98Å; F69-L75 HydrophobicContact CB-CB 4.31Å; F69-L75 HydrophobicContact CD2-CD1 4.28Å; F69-I78 HydrophobicContact CD1-CD1 4.47Å; F69-I78 HydrophobicContact CE1-CD1 3.68Å; F69-I78 HydrophobicContact CE2-CD1 4.34Å; F69-I78 HydrophobicContact CZ-CD1 3.59Å; F69-Y104 WeakPolarHBondContact CZ-OH 3.35Å; F69-D113 HydrophobicContact CD2-CB 3.91Å; F69-D113 HydrophobicContact CE2-CB 4.37Å; F69-D113 PolarHBondContact N-OD2 3.04Å; F69-L116 HydrophobicContact CE2-CD2 3.82Å; F69-L116 HydrophobicContact CZ-CD2 4.46Å; F69-P321 HydrophobicContact CE1-CG 4.22Å | ||
| 70 | S | 87.7 | Confident | 92.4 | Very high | 84 Ų | 84 | 43 Ų | 43 | 59% | 0.587 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -76.9 | -21.6 | 176.1 | -49 | 0 | 0 | 0 | 0 | 113.6 | A199 | S70-A199 PolarHBondContact O-N 3.03Š|
| 71 | S | 91.8 | Very high | 92.7 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | trans | -108 | 116.8 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | Y73 E74 L75 D200 | S71-Y73 VanDerWaalsContact C-N 3.31Å; S71-Y73 PolarHBondContact OG-N 3.27Å; S71-E74 PolarHBondContact O-N 3.21Å; S71-E74 PolarHBondContact OG-N 2.71Å; S71-L75 PolarHBondContact O-N 2.86Å; S71-L75 VanDerWaalsContact O-N 3.16Å; S71-D200 WeakPolarHBondContact CA-OD1 3.23Å; S71-D200 PolarHBondContact OG-OD2 2.95Å | ||
| 72 | L | 92 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.2 | -33.5 | 173.1 | -172.5 | 58.8 | 0 | 0 | 0 | 111.4 | E74 L75 L76 F198 D200 L205 L206 L209 | L72-E74 VanDerWaalsContact C-N 3.34Å; L72-E74 PolarHBondContact O-N 3.11Å; L72-L75 HydrophobicContact CD1-CD2 4.31Å; L72-L75 PolarHBondContact O-N 3.38Å; L72-L76 HydrophobicContact CG-CD1 4.34Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 WeakPolarHBondContact O-CG 3.19Å; L72-L76 PolarHBondContact O-N 2.62Å; L72-F198 HydrophobicContact CB-CB 4.23Å; L72-F198 HydrophobicContact CB-CD1 3.89Å; L72-F198 HydrophobicContact CB-CE1 4.43Å; L72-F198 HydrophobicContact CB-CG 4.01Å; L72-F198 HydrophobicContact CD1-CD1 4.35Å; L72-F198 HydrophobicContact CD1-CE1 4.1Å; L72-F198 HydrophobicContact CD1-CE2 4.34Å; L72-F198 HydrophobicContact CD1-CZ 4.08Å; L72-F198 HydrophobicContact CD2-CD2 4.45Å; L72-D200 WeakPolarHBondContact CB-OD1 3.39Å; L72-D200 PolarHBondContact N-OD1 3.32Å; L72-D200 PolarHBondContact N-OD2 3.48Å; L72-D200 VanDerWaalsContact N-OD2 3.17Å; L72-L205 HydrophobicContact CD2-CB 3.5Å; L72-L205 VanDerWaalsContact CD2-CB 3.5Å; L72-L205 HydrophobicContact CG-CB 3.89Å; L72-L206 HydrophobicContact CD2-CD1 4.35Å; L72-L209 HydrophobicContact CD1-CB 4.1Å; L72-L209 HydrophobicContact CD1-CD2 3.53Å; L72-L209 HydrophobicContact CD1-CG 4.37Å |
| 73 | Y | 94.1 | Very high | 93.6 | Very high | 96 Ų | 96 | 28 Ų | 28 | 38% | 0.376 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.1 | -44.5 | 173.7 | -179.4 | -111.7 | 0 | 0 | 0 | 112 | S71 G77 D200 L205 I302 K304 | S71-Y73 VanDerWaalsContact C-N 3.31Å; S71-Y73 PolarHBondContact OG-N 3.27Å; Y73-G77 PolarHBondContact O-N 3.09Å; Y73-G77 VanDerWaalsContact O-N 3.11Å; Y73-D200 WeakPolarHBondContact CB-OD2 2.94Å; Y73-D200 PolarHBondContact N-OD2 3Å; Y73-L205 HydrophobicContact CD2-CD2 4.42Å; Y73-I302 WeakPolarHBondContact CD2-O 3.48Å; Y73-I302 WeakPolarHBondContact CE2-O 3.35Å; Y73-K304 HydrophobicContact CD1-CB 3.66Å; Y73-K304 HydrophobicContact CD1-CD 4.45Å; Y73-K304 HydrophobicContact CD1-CG 4.2Å; Y73-K304 VanDerWaalsContact CE1-CA 3.42Å; Y73-K304 HydrophobicContact CE1-CB 3.48Å; Y73-K304 VanDerWaalsContact CE1-CB 3.48Å; Y73-K304 HydrophobicContact CE1-CD 4.38Å; Y73-K304 HydrophobicContact CE1-CG 3.76Å; Y73-K304 HydrophobicContact CG-CB 4.31Å; Y73-K304 WeakPolarHBondContact O-CB 3.33Å; Y73-K304 PolarHBondContact O-N 3.37Å |
| 74 | E | 94.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 22.1 Ų | 22.1 | 22% | 0.22 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.4 | -46.5 | 177.3 | -176.3 | 157.4 | 135 | 0 | 0 | 112.5 | S71 L72 L76 G77 I78 K304 P321 | S71-E74 PolarHBondContact O-N 3.21Å; S71-E74 PolarHBondContact OG-N 2.71Å; L72-E74 VanDerWaalsContact C-N 3.34Å; L72-E74 PolarHBondContact O-N 3.11Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.14Å; E74-G77 WeakPolarHBondContact O-CA 3.49Å; E74-G77 PolarHBondContact O-N 2.66Å; E74-I78 PolarHBondContact O-N 3.23Å; E74-I78 VanDerWaalsContact O-N 3.07Å; E74-K304 HydrophobicContact CB-CD 4.18Å; E74-K304 HydrophobicContact CG-CD 4.09Å; E74-K304 IonicContact OE2-NZ 3.16Å; E74-K304 PolarHBondContact OE2-NZ 3.41Å; E74-P321 HydrophobicContact CG-CG 4.25Å; E74-P321 WeakPolarHBondContact OE1-CG 3.44Å |
| 75 | L | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.2 | -45.6 | 176.6 | 175.4 | 59.6 | 0 | 0 | 0 | 111.6 | F69 S71 L72 G77 I78 I79 L116 F198 L209 | F69-L75 HydrophobicContact CB-CB 4.31Å; F69-L75 HydrophobicContact CD2-CD1 4.28Å; S71-L75 PolarHBondContact O-N 2.86Å; S71-L75 VanDerWaalsContact O-N 3.16Å; L72-L75 HydrophobicContact CD1-CD2 4.31Å; L72-L75 PolarHBondContact O-N 3.38Å; L75-G77 VanDerWaalsContact C-N 3.3Å; L75-G77 PolarHBondContact O-N 3.08Å; L75-I78 PolarHBondContact O-N 3.35Å; L75-I79 HydrophobicContact CD1-CD1 4.1Å; L75-I79 HydrophobicContact CD1-CG1 4.44Å; L75-I79 HydrophobicContact CG-CD1 4.15Å; L75-I79 WeakPolarHBondContact O-CG1 3.1Å; L75-I79 PolarHBondContact O-N 2.9Å; L75-I79 VanDerWaalsContact O-N 3.09Å; L75-L116 HydrophobicContact CD1-CB 3.88Å; L75-L116 HydrophobicContact CD1-CD1 4.27Å; L75-L116 HydrophobicContact CD1-CG 4.44Å; L75-F198 HydrophobicContact CD2-CE1 4.48Å; L75-L209 HydrophobicContact CD2-CD1 4.38Å; L75-L209 HydrophobicContact CD2-CD2 4.14Å |
| 76 | L | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.8 | -37.6 | 174.4 | -84.4 | 170 | 0 | 0 | 0 | 112.8 | L72 E74 I78 I79 D80 L205 L209 I302 | L72-L76 HydrophobicContact CG-CD1 4.34Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 WeakPolarHBondContact O-CG 3.19Å; L72-L76 PolarHBondContact O-N 2.62Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.14Å; L76-I78 VanDerWaalsContact C-N 3.34Å; L76-I78 PolarHBondContact O-N 3.12Å; L76-I79 PolarHBondContact O-N 3.21Å; L76-D80 WeakPolarHBondContact O-CB 3.41Å; L76-D80 VanDerWaalsContact O-CG 3.29Å; L76-D80 PolarHBondContact O-N 3.38Å; L76-L205 HydrophobicContact CD1-CB 3.94Å; L76-L205 HydrophobicContact CD1-CD2 3.57Å; L76-L205 HydrophobicContact CD1-CG 4.36Å; L76-L205 WeakPolarHBondContact CD1-O 3.24Å; L76-L209 HydrophobicContact CD2-CB 4.21Å; L76-I302 HydrophobicContact CD1-CD1 4.14Å; L76-I302 HydrophobicContact CD1-CG1 4.25Å |
| 77 | G | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y73 E74 L75 E81 K304 | Y73-G77 PolarHBondContact O-N 3.09Å; Y73-G77 VanDerWaalsContact O-N 3.11Å; E74-G77 WeakPolarHBondContact O-CA 3.49Å; E74-G77 PolarHBondContact O-N 2.66Å; L75-G77 VanDerWaalsContact C-N 3.3Å; L75-G77 PolarHBondContact O-N 3.08Å; G77-E81 VanDerWaalsContact O-CB 3.27Å; G77-E81 WeakPolarHBondContact O-CB 3.49Å; G77-E81 PolarHBondContact O-N 3.12Å; G77-E81 VanDerWaalsContact O-N 3.11Å; G77-K304 WeakPolarHBondContact CA-O 3.44Å |
| 78 | I | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -48.8 | 176.9 | -62.1 | 164.7 | 0 | 0 | 0 | 110.7 | F69 E74 L75 L76 E81 L82 Y104 L116 P321 F323 | F69-I78 HydrophobicContact CD1-CD1 4.47Å; F69-I78 HydrophobicContact CE1-CD1 3.68Å; F69-I78 HydrophobicContact CE2-CD1 4.34Å; F69-I78 HydrophobicContact CZ-CD1 3.59Å; E74-I78 PolarHBondContact O-N 3.23Å; E74-I78 VanDerWaalsContact O-N 3.07Å; L75-I78 PolarHBondContact O-N 3.35Å; L76-I78 VanDerWaalsContact C-N 3.34Å; L76-I78 PolarHBondContact O-N 3.12Å; I78-E81 PolarHBondContact O-N 3.16Å; I78-L82 HydrophobicContact CG2-CD1 4.45Å; I78-L82 PolarHBondContact O-N 3.09Å; I78-Y104 HydrophobicContact CD1-CE2 4.3Å; I78-Y104 HydrophobicContact CG2-CD2 4.12Å; I78-Y104 HydrophobicContact CG2-CE2 4.17Å; I78-L116 HydrophobicContact CG2-CD1 4.04Å; I78-P321 HydrophobicContact CD1-CG 3.59Å; I78-P321 HydrophobicContact CG1-CG 4Å; I78-F323 HydrophobicContact CB-CE2 4.34Å; I78-F323 HydrophobicContact CG1-CE2 4.49Å; I78-F323 HydrophobicContact CG2-CE2 3.95Å; I78-F323 HydrophobicContact CG2-CZ 4.39Å |
| 79 | I | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | -178.6 | -72.1 | 175.5 | 0 | 0 | 0 | 111.3 | L75 L76 E81 L82 L83 L116 F119 L209 R212 | L75-I79 HydrophobicContact CD1-CD1 4.1Å; L75-I79 HydrophobicContact CD1-CG1 4.44Å; L75-I79 HydrophobicContact CG-CD1 4.15Å; L75-I79 WeakPolarHBondContact O-CG1 3.1Å; L75-I79 PolarHBondContact O-N 2.9Å; L75-I79 VanDerWaalsContact O-N 3.09Å; L76-I79 PolarHBondContact O-N 3.21Å; I79-E81 PolarHBondContact O-N 2.91Å; I79-L82 WeakPolarHBondContact O-CB 3.42Å; I79-L82 PolarHBondContact O-N 2.96Å; I79-L83 PolarHBondContact O-N 3.41Å; I79-L116 HydrophobicContact CG1-CD1 4.19Å; I79-F119 HydrophobicContact CD1-CG 4.41Å; I79-F119 HydrophobicContact CG1-CD1 4.18Å; I79-F119 HydrophobicContact CG1-CD2 4.48Å; I79-F119 HydrophobicContact CG1-CG 4.19Å; I79-F119 HydrophobicContact CG2-CD1 4.42Å; I79-F119 HydrophobicContact CG2-CD2 3.82Å; I79-F119 HydrophobicContact CG2-CE1 4.13Å; I79-F119 HydrophobicContact CG2-CE2 3.46Å; I79-F119 VanDerWaalsContact CG2-CE2 3.46Å; I79-F119 HydrophobicContact CG2-CG 4.3Å; I79-F119 HydrophobicContact CG2-CZ 3.66Å; I79-L209 HydrophobicContact CD1-CD1 3.51Å; I79-R212 HydrophobicContact CG2-CB 3.66Å; I79-R212 HydrophobicContact CG2-CG 3.66Å |
| 80 | D | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63 | -34.9 | -179.9 | -76 | -14.2 | 0 | 0 | 0 | 111.5 | L76 L83 A84 R212 R345 F349 | L76-D80 WeakPolarHBondContact O-CB 3.41Å; L76-D80 VanDerWaalsContact O-CG 3.29Å; L76-D80 PolarHBondContact O-N 3.38Å; D80-L83 PolarHBondContact O-N 3.4Å; D80-A84 PolarHBondContact O-N 3.25Å; D80-R212 IonicContact OD1-CZ 2.79Å; D80-R212 IonicContact OD1-NE 2.63Å; D80-R212 PolarHBondContact OD1-NE 3.17Å; D80-R212 IonicContact OD1-NH2 2.61Å; D80-R212 PolarHBondContact OD1-NH2 3.21Å; D80-R212 IonicContact OD2-NH2 3.65Å; D80-R345 HydrophobicContact CB-CG 4.1Å; D80-R345 VanDerWaalsContact CB-CZ 3.45Å; D80-R345 VanDerWaalsContact CB-NE 3.3Å; D80-R345 WeakPolarHBondContact OD2-CD 3.38Å; D80-R345 IonicContact OD2-CZ 3.43Å; D80-R345 IonicContact OD2-NE 3.65Å; D80-R345 IonicContact OD2-NH1 2.68Å; D80-R345 PolarHBondContact OD2-NH1 2.88Å; D80-F349 HydrophobicContact CB-CZ 3.94Å; D80-F349 WeakPolarHBondContact OD1-CZ 3.37Å |
| 81 | E | 96.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -71 | -38.3 | 177.8 | -160.7 | 68.3 | -154.2 | 0 | 0 | 112.1 | G77 I78 I79 A84 A85 K310 Y318 L320 F323 I342 R345 | G77-E81 VanDerWaalsContact O-CB 3.27Å; G77-E81 WeakPolarHBondContact O-CB 3.49Å; G77-E81 PolarHBondContact O-N 3.12Å; G77-E81 VanDerWaalsContact O-N 3.11Å; I78-E81 PolarHBondContact O-N 3.16Å; I79-E81 PolarHBondContact O-N 2.91Å; E81-A84 PolarHBondContact O-N 3.47Å; E81-A85 WeakPolarHBondContact O-CB 3.44Å; E81-A85 PolarHBondContact O-N 3.15Å; E81-K310 WeakPolarHBondContact OE1-CD 3.37Å; E81-K310 WeakPolarHBondContact OE1-CE 3.47Å; E81-K310 IonicContact OE1-NZ 3.71Å; E81-K310 PolarHBondContact OE1-NZ 2.82Å; E81-K310 IonicContact OE2-NZ 2.92Å; E81-Y318 HydrophobicContact CG-CE1 3.75Å; E81-Y318 PolarHBondContact OE1-OH 2.84Å; E81-L320 HydrophobicContact CB-CD1 3.8Å; E81-L320 HydrophobicContact CG-CD1 3.91Å; E81-F323 HydrophobicContact CB-CE1 4.05Å; E81-F323 HydrophobicContact CB-CE2 4.26Å; E81-F323 HydrophobicContact CB-CZ 3.68Å; E81-F323 HydrophobicContact CG-CD1 4.25Å; E81-F323 HydrophobicContact CG-CE1 3.75Å; E81-F323 HydrophobicContact CG-CE2 4.43Å; E81-F323 HydrophobicContact CG-CZ 3.86Å; E81-I342 WeakPolarHBondContact OE1-CG2 3.49Å; E81-R345 IonicContact OE2-NH2 3.66Å |
| 82 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 169.6 | -88.8 | 168.7 | 0 | 0 | 0 | 112.1 | I78 I79 A84 A85 F86 I99 C102 M105 F119 L123 F323 | I78-L82 HydrophobicContact CG2-CD1 4.45Å; I78-L82 PolarHBondContact O-N 3.09Å; I79-L82 WeakPolarHBondContact O-CB 3.42Å; I79-L82 PolarHBondContact O-N 2.96Å; L82-A84 VanDerWaalsContact C-N 3.33Å; L82-A85 PolarHBondContact O-N 2.77Å; L82-F86 WeakPolarHBondContact O-CB 3.29Å; L82-F86 PolarHBondContact O-N 3.16Å; L82-I99 HydrophobicContact CD2-CG2 4.32Å; L82-C102 HydrophobicContact CD2-CB 3.55Å; L82-C102 HydrophobicContact CG-CB 4.22Å; L82-M105 HydrophobicContact CD1-SD 4.46Å; L82-M105 HydrophobicContact CD2-CG 3.67Å; L82-M105 HydrophobicContact CD2-SD 4.1Å; L82-F119 HydrophobicContact CB-CE1 3.95Å; L82-F119 HydrophobicContact CD1-CD1 4.25Å; L82-F119 HydrophobicContact CD1-CE1 3.91Å; L82-L123 HydrophobicContact CB-CD2 4.34Å; L82-L123 HydrophobicContact CD2-CD2 4.45Å; L82-F323 HydrophobicContact CG-CZ 4.12Å |
| 83 | L | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.3 | -36.9 | 174.8 | -71.3 | 177.5 | 0 | 0 | 0 | 112.1 | I79 D80 F86 V87 F119 R212 F215 V216 L296 F349 F352 | I79-L83 PolarHBondContact O-N 3.41Å; D80-L83 PolarHBondContact O-N 3.4Å; L83-F86 WeakPolarHBondContact O-CB 3.48Å; L83-F86 PolarHBondContact O-N 2.71Å; L83-V87 PolarHBondContact O-N 3.33Å; L83-V87 VanDerWaalsContact O-N 3.16Å; L83-F119 HydrophobicContact CD2-CE2 4.17Å; L83-F119 HydrophobicContact CD2-CZ 3.79Å; L83-F119 HydrophobicContact CG-CE2 4.3Å; L83-F119 HydrophobicContact CG-CZ 3.84Å; L83-R212 HydrophobicContact CD1-CG 3.84Å; L83-F215 HydrophobicContact CD2-CD1 4.08Å; L83-F215 HydrophobicContact CD2-CE1 4.03Å; L83-V216 HydrophobicContact CD2-CG2 4.01Å; L83-L296 HydrophobicContact CD1-CD1 4.25Å; L83-L296 HydrophobicContact CD1-CD2 4.48Å; L83-F349 HydrophobicContact CB-CE1 3.71Å; L83-F349 HydrophobicContact CB-CZ 4.42Å; L83-F349 HydrophobicContact CD1-CE1 3.91Å; L83-F349 HydrophobicContact CD1-CZ 4.16Å; L83-F349 HydrophobicContact CG-CE1 4.48Å; L83-F352 HydrophobicContact CB-CE2 4.32Å |
| 84 | A | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D80 E81 L82 F86 V87 N88 I342 | D80-A84 PolarHBondContact O-N 3.25Å; E81-A84 PolarHBondContact O-N 3.47Å; L82-A84 VanDerWaalsContact C-N 3.33Å; A84-F86 VanDerWaalsContact C-N 3.31Å; A84-F86 PolarHBondContact O-N 3.33Å; A84-V87 WeakPolarHBondContact O-CB 3.36Å; A84-V87 PolarHBondContact O-N 3.07Å; A84-V87 VanDerWaalsContact O-N 3.13Å; A84-N88 PolarHBondContact O-N 3.23Å; A84-N88 VanDerWaalsContact O-N 3.12Å; A84-N88 PolarHBondContact O-OD1 3.12Å; A84-I342 HydrophobicContact CB-CG2 3.91Å |
| 85 | A | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.7 | -34.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E81 L82 V87 N88 W89 S98 I342 | E81-A85 WeakPolarHBondContact O-CB 3.44Å; E81-A85 PolarHBondContact O-N 3.15Å; L82-A85 PolarHBondContact O-N 2.77Å; A85-V87 VanDerWaalsContact C-N 3.3Å; A85-V87 PolarHBondContact O-N 2.87Å; A85-N88 WeakPolarHBondContact O-CB 3.5Å; A85-N88 PolarHBondContact O-N 2.9Å; A85-W89 PolarHBondContact O-N 2.77Å; A85-S98 WeakPolarHBondContact CB-O 3.45Å; A85-S98 WeakPolarHBondContact O-CB 3.27Å; A85-I342 HydrophobicContact CB-CD1 3.94Å; A85-I342 HydrophobicContact CB-CG2 4.48Å |
| 86 | F | 96.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 5.1 Ų | 5.1 | 1% | 0.009 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.5 | -36.9 | 172.1 | 175.1 | -134.3 | 0 | 0 | 0 | 112 | L82 L83 A84 W89 L90 I99 L123 V127 L130 L219 F352 | L82-F86 WeakPolarHBondContact O-CB 3.29Å; L82-F86 PolarHBondContact O-N 3.16Å; L83-F86 WeakPolarHBondContact O-CB 3.48Å; L83-F86 PolarHBondContact O-N 2.71Å; A84-F86 VanDerWaalsContact C-N 3.31Å; A84-F86 PolarHBondContact O-N 3.33Å; F86-W89 AromaticContact CD2-CE3 3.8Å; F86-W89 HydrophobicContact CD2-CE3 3.8Å; F86-W89 HydrophobicContact CD2-CZ3 4.36Å; F86-W89 AromaticContact CE2-CE3 3.61Å; F86-W89 HydrophobicContact CE2-CE3 3.61Å; F86-W89 AromaticContact CE2-CZ3 3.73Å; F86-W89 HydrophobicContact CE2-CZ3 3.73Å; F86-W89 PolarHBondContact O-N 3.29Å; F86-L90 HydrophobicContact CD1-CD1 4.39Å; F86-L90 HydrophobicContact CD2-CD1 4.4Å; F86-L90 HydrophobicContact CD2-CG 4.18Å; F86-L90 HydrophobicContact CE1-CD1 3.88Å; F86-L90 HydrophobicContact CE2-CD1 3.93Å; F86-L90 HydrophobicContact CE2-CD2 3.99Å; F86-L90 HydrophobicContact CE2-CG 3.78Å; F86-L90 HydrophobicContact CZ-CD1 3.62Å; F86-L90 HydrophobicContact CZ-CD2 4.19Å; F86-L90 HydrophobicContact CZ-CG 3.99Å; F86-L90 WeakPolarHBondContact O-CG 3.38Å; F86-L90 PolarHBondContact O-N 2.92Å; F86-I99 HydrophobicContact CB-CD1 4.31Å; F86-I99 HydrophobicContact CB-CG1 4.5Å; F86-I99 HydrophobicContact CD2-CD1 3.96Å; F86-L123 HydrophobicContact CB-CD1 4.36Å; F86-L123 HydrophobicContact CD1-CD1 4.13Å; F86-L123 HydrophobicContact CD2-CD1 4.31Å; F86-L123 HydrophobicContact CG-CD1 4.02Å; F86-V127 HydrophobicContact CD2-CG2 3.86Å; F86-V127 HydrophobicContact CE2-CG2 3.81Å; F86-L130 HydrophobicContact CE2-CD1 3.95Å; F86-L130 HydrophobicContact CZ-CD1 3.62Å; F86-L219 HydrophobicContact CD1-CD2 4.48Å; F86-L219 HydrophobicContact CE1-CD2 3.51Å; F86-L219 HydrophobicContact CZ-CD2 3.73Å; F86-F352 AromaticContact CD1-CE1 3.75Å; F86-F352 HydrophobicContact CD1-CE1 3.75Å; F86-F352 AromaticContact CD1-CZ 3.48Å; F86-F352 HydrophobicContact CD1-CZ 3.48Å; F86-F352 VanDerWaalsContact CD1-CZ 3.48Å; F86-F352 AromaticContact CE1-CE1 3.74Å; F86-F352 HydrophobicContact CE1-CE1 3.74Å; F86-F352 AromaticContact CE1-CZ 3.96Å; F86-F352 HydrophobicContact CE1-CZ 3.96Å; F86-F352 HydrophobicContact CG-CZ 4.42Å |
| 87 | V | 93.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 171.9 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | L83 A84 A85 W89 L90 T91 Y351 F352 Y399 | L83-V87 PolarHBondContact O-N 3.33Å; L83-V87 VanDerWaalsContact O-N 3.16Å; A84-V87 WeakPolarHBondContact O-CB 3.36Å; A84-V87 PolarHBondContact O-N 3.07Å; A84-V87 VanDerWaalsContact O-N 3.13Å; A85-V87 VanDerWaalsContact C-N 3.3Å; A85-V87 PolarHBondContact O-N 2.87Å; V87-W89 VanDerWaalsContact C-N 3.29Å; V87-W89 PolarHBondContact O-N 2.73Å; V87-L90 PolarHBondContact O-N 2.92Å; V87-T91 HydrophobicContact CG1-CG2 4.15Å; V87-T91 WeakPolarHBondContact O-CB 3.31Å; V87-T91 WeakPolarHBondContact O-CG2 3.33Å; V87-T91 PolarHBondContact O-N 3.07Å; V87-T91 PolarHBondContact O-OG1 2.64Å; V87-Y351 HydrophobicContact CB-CD1 4.38Å; V87-Y351 HydrophobicContact CG1-CD1 3.58Å; V87-Y351 HydrophobicContact CG1-CE1 4.08Å; V87-Y351 HydrophobicContact CG1-CG 3.88Å; V87-Y351 HydrophobicContact CG2-CD1 3.95Å; V87-F352 HydrophobicContact CG2-CD1 4.26Å; V87-F352 HydrophobicContact CG2-CD2 4.25Å; V87-F352 HydrophobicContact CG2-CE1 3.61Å; V87-F352 HydrophobicContact CG2-CE2 3.59Å; V87-F352 HydrophobicContact CG2-CZ 3.21Å; V87-Y399 HydrophobicContact CG1-CE1 4.4Å |
| 88 | N | 91.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -53.5 | -48.9 | 172.9 | -84.2 | 77.7 | 0 | 0 | 0 | 111.1 | A84 A85 T91 G92 D93 N341 I342 H343 | A84-N88 PolarHBondContact O-N 3.23Å; A84-N88 VanDerWaalsContact O-N 3.12Å; A84-N88 PolarHBondContact O-OD1 3.12Å; A85-N88 WeakPolarHBondContact O-CB 3.5Å; A85-N88 PolarHBondContact O-N 2.9Å; N88-T91 PolarHBondContact O-N 3.07Å; N88-T91 PolarHBondContact O-OG1 3.42Å; N88-G92 PolarHBondContact O-N 3.16Å; N88-G92 VanDerWaalsContact O-N 3.16Å; N88-D93 HydrophobicContact CB-CB 4.28Å; N88-D93 WeakPolarHBondContact CB-OD2 3.26Å; N88-D93 PolarHBondContact ND2-OD2 2.85Å; N88-D93 PolarHBondContact O-N 3.15Å; N88-D93 VanDerWaalsContact O-N 3.12Å; N88-N341 PolarHBondContact ND2-O 3.44Å; N88-I342 HydrophobicContact CB-CD1 4.4Å; N88-I342 WeakPolarHBondContact OD1-CA 3.24Å; N88-H343 PolarHBondContact ND2-CD2 3.43Å; N88-H343 PolarHBondContact ND2-NE2 3.24Å; N88-H343 WeakPolarHBondContact OD1-CB 3.1Å; N88-H343 PolarHBondContact OD1-CD2 3.04Å; N88-H343 PolarHBondContact OD1-N 2.83Å; N88-H343 PolarHBondContact OD1-ND1 3.28Å |
| 89 | W | 92.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -56.9 | -56.2 | 174.9 | 179.8 | 59.8 | 0 | 0 | 0 | 111.5 | A85 F86 V87 T91 G92 D93 L95 I99 V127 L130 R131 I134 H145 | A85-W89 PolarHBondContact O-N 2.77Å; F86-W89 AromaticContact CD2-CE3 3.8Å; F86-W89 HydrophobicContact CD2-CE3 3.8Å; F86-W89 HydrophobicContact CD2-CZ3 4.36Å; F86-W89 AromaticContact CE2-CE3 3.61Å; F86-W89 HydrophobicContact CE2-CE3 3.61Å; F86-W89 AromaticContact CE2-CZ3 3.73Å; F86-W89 HydrophobicContact CE2-CZ3 3.73Å; F86-W89 PolarHBondContact O-N 3.29Å; V87-W89 VanDerWaalsContact C-N 3.29Å; V87-W89 PolarHBondContact O-N 2.73Å; W89-T91 PolarHBondContact O-N 2.69Å; W89-G92 PolarHBondContact O-N 3.18Å; W89-D93 WeakPolarHBondContact CA-O 3.43Å; W89-D93 VanDerWaalsContact CD1-O 3.3Å; W89-L95 VanDerWaalsContact CD1-CD2 3.48Å; W89-L95 HydrophobicContact CD2-CD2 3.81Å; W89-L95 HydrophobicContact CG-CD2 3.7Å; W89-L95 HydrophobicContact CG-CG 4.39Å; W89-L95 HydrophobicContact CZ2-CD2 4.34Å; W89-I99 HydrophobicContact CB-CD1 4.14Å; W89-I99 HydrophobicContact CB-CG1 4.34Å; W89-I99 HydrophobicContact CE3-CD1 4.49Å; W89-I99 HydrophobicContact CG-CD1 4.39Å; W89-V127 HydrophobicContact CD2-CG1 4.09Å; W89-V127 HydrophobicContact CE3-CG1 3.83Å; W89-V127 HydrophobicContact CH2-CB 4.44Å; W89-V127 HydrophobicContact CH2-CG1 3.59Å; W89-V127 WeakPolarHBondContact CH2-O 3.4Å; W89-V127 HydrophobicContact CZ2-CG1 3.89Å; W89-V127 HydrophobicContact CZ3-CB 4.24Å; W89-V127 HydrophobicContact CZ3-CG1 3.58Å; W89-V127 HydrophobicContact CZ3-CG2 4.35Å; W89-L130 HydrophobicContact CH2-CB 3.83Å; W89-L130 HydrophobicContact CZ3-CB 3.96Å; W89-L130 HydrophobicContact CZ3-CD1 4.3Å; W89-R131 HydrophobicContact CH2-CB 4.14Å; W89-R131 HydrophobicContact CZ2-CB 3.98Å; W89-I134 HydrophobicContact CH2-CD1 4.43Å; W89-H145 AromaticContact CD1-CE1 3.67Å; W89-H145 AromaticContact CD2-CE1 3.89Å; W89-H145 AromaticContact CE2-CE1 3.54Å; W89-H145 AromaticContact CE2-NE2 3.32Å; W89-H145 VanDerWaalsContact CE2-NE2 3.32Å; W89-H145 AromaticContact CZ2-NE2 3.43Å; W89-H145 WeakPolarHBondContact CZ2-NE2 3.12Å; W89-H145 AromaticContact NE1-CE1 3.32Å; W89-H145 PolarHBondContact NE1-CE1 2.86Å; W89-H145 VanDerWaalsContact NE1-CE1 3.32Å; W89-H145 AromaticContact NE1-NE2 3.28Å; W89-H145 PolarHBondContact NE1-NE2 3.27Å; W89-H145 PolarHBondContact O-CE1 3.11Å; W89-H145 PolarHBondContact O-ND1 3.42Å; W89-H145 VanDerWaalsContact O-ND1 3.15Å |
| 90 | L | 90.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 5.8 Ų | 5.8 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -56.7 | -18.1 | -179.8 | -72.2 | 178.3 | 0 | 0 | 0 | 114.9 | F86 V87 L130 Y351 F352 L422 | F86-L90 HydrophobicContact CD1-CD1 4.39Å; F86-L90 HydrophobicContact CD2-CD1 4.4Å; F86-L90 HydrophobicContact CD2-CG 4.18Å; F86-L90 HydrophobicContact CE1-CD1 3.88Å; F86-L90 HydrophobicContact CE2-CD1 3.93Å; F86-L90 HydrophobicContact CE2-CD2 3.99Å; F86-L90 HydrophobicContact CE2-CG 3.78Å; F86-L90 HydrophobicContact CZ-CD1 3.62Å; F86-L90 HydrophobicContact CZ-CD2 4.19Å; F86-L90 HydrophobicContact CZ-CG 3.99Å; F86-L90 WeakPolarHBondContact O-CG 3.38Å; F86-L90 PolarHBondContact O-N 2.92Å; V87-L90 PolarHBondContact O-N 2.92Å; L90-L130 HydrophobicContact CD2-CD1 4.49Å; L90-Y351 HydrophobicContact CB-CE1 4.45Å; L90-Y351 HydrophobicContact CD1-CE1 4.33Å; L90-F352 HydrophobicContact CD1-CE1 4.02Å; L90-L422 HydrophobicContact CD2-CD2 4.21Å |
| 91 | T | 86.3 | Confident | 93 | Very high | 24 Ų | 24 | 5.8 Ų | 5.8 | 15% | 0.147 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -106.1 | -1.2 | -178.7 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | V87 N88 W89 H343 Y351 V400 | V87-T91 HydrophobicContact CG1-CG2 4.15Å; V87-T91 WeakPolarHBondContact O-CB 3.31Å; V87-T91 WeakPolarHBondContact O-CG2 3.33Å; V87-T91 PolarHBondContact O-N 3.07Å; V87-T91 PolarHBondContact O-OG1 2.64Å; N88-T91 PolarHBondContact O-N 3.07Å; N88-T91 PolarHBondContact O-OG1 3.42Å; W89-T91 PolarHBondContact O-N 2.69Å; T91-H343 PolarHBondContact OG1-CE1 2.99Å; T91-H343 VanDerWaalsContact OG1-CE1 3.24Å; T91-Y351 HydrophobicContact CG2-CD2 4.5Å; T91-Y351 HydrophobicContact CG2-CE1 4.43Å; T91-Y351 HydrophobicContact CG2-CE2 3.9Å; T91-V400 HydrophobicContact CG2-CG2 4.06Å |
| 92 | G | 86.1 | Confident | 93 | Very high | 29 Ų | 29 | 5.7 Ų | 5.7 | 30% | 0.299 | 4% | 0.038 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 138 | -16.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116 | N88 W89 | N88-G92 PolarHBondContact O-N 3.16Å; N88-G92 VanDerWaalsContact O-N 3.16Å; W89-G92 PolarHBondContact O-N 3.18Å |
| 93 | D | 87.7 | Confident | 92.9 | Very high | 43 Ų | 43 | 6.2 Ų | 6.2 | 23% | 0.23 | 4% | 0.041 | C | C | . | . | trans | -71.5 | 149.9 | -178.9 | -68.8 | -50.5 | 0 | 0 | 0 | 112 | N88 W89 A340 | N88-D93 HydrophobicContact CB-CB 4.28Å; N88-D93 WeakPolarHBondContact CB-OD2 3.26Å; N88-D93 PolarHBondContact ND2-OD2 2.85Å; N88-D93 PolarHBondContact O-N 3.15Å; N88-D93 VanDerWaalsContact O-N 3.12Å; W89-D93 WeakPolarHBondContact CA-O 3.43Å; W89-D93 VanDerWaalsContact CD1-O 3.3Å; D93-A340 HydrophobicContact CB-CB 4.28Å | ||
| 94 | S | 90.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 6.2 Ų | 6.2 | 1% | 0.014 | 4% | 0.041 | C | C | . | . | trans | -62.1 | 151.8 | 175.7 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | A96 Q97 S98 D146 | S94-A96 PolarHBondContact O-N 3.31Å; S94-Q97 PolarHBondContact O-N 3.06Å; S94-Q97 VanDerWaalsContact OG-CB 3.27Å; S94-Q97 WeakPolarHBondContact OG-CB 3.07Å; S94-Q97 WeakPolarHBondContact OG-CG 3.12Å; S94-Q97 PolarHBondContact OG-N 3.18Å; S94-Q97 PolarHBondContact OG-OE1 3.41Å; S94-S98 WeakPolarHBondContact O-CB 3.48Å; S94-S98 PolarHBondContact O-N 2.8Å; S94-S98 PolarHBondContact O-OG 3.37Å; S94-D146 WeakPolarHBondContact CA-OD2 3.29Å; S94-D146 WeakPolarHBondContact CB-OD2 3.36Å | ||
| 95 | L | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -40.6 | 173.7 | -77.1 | 172.7 | 0 | 0 | 0 | 112 | W89 Q97 S98 I99 F100 V127 I154 | W89-L95 VanDerWaalsContact CD1-CD2 3.48Å; W89-L95 HydrophobicContact CD2-CD2 3.81Å; W89-L95 HydrophobicContact CG-CD2 3.7Å; W89-L95 HydrophobicContact CG-CG 4.39Å; W89-L95 HydrophobicContact CZ2-CD2 4.34Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.21Å; L95-S98 PolarHBondContact O-N 3.23Å; L95-I99 HydrophobicContact CD2-CD1 3.91Å; L95-I99 PolarHBondContact O-N 3.33Å; L95-F100 HydrophobicContact CB-CD2 4.07Å; L95-F100 HydrophobicContact CB-CE2 4.41Å; L95-F100 WeakPolarHBondContact O-CB 3.38Å; L95-F100 PolarHBondContact O-N 3.5Å; L95-V127 HydrophobicContact CD2-CG1 3.56Å; L95-I154 HydrophobicContact CD1-CD1 3.8Å; L95-I154 HydrophobicContact CD2-CD1 4.41Å |
| 96 | A | 91.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.008 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -31.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S94 H150 M152 N328 I332 | S94-A96 PolarHBondContact O-N 3.31Å; A96-H150 HydrophobicContact CB-CB 4.26Å; A96-M152 HydrophobicContact CB-CE 4.44Å; A96-M152 HydrophobicContact CB-CG 4.05Å; A96-M152 HydrophobicContact CB-SD 4.2Å; A96-N328 HydrophobicContact CB-CB 3.92Å; A96-N328 PolarHBondContact O-ND2 2.93Å; A96-I332 HydrophobicContact CB-CD1 3.82Å; A96-I332 HydrophobicContact CB-CG1 3.62Å |
| 97 | Q | 91 | Very high | 92.5 | Very high | 11 Ų | 11 | 6.9 Ų | 6.9 | 5% | 0.051 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -9.6 | -177.8 | -64.2 | 174.4 | -43.4 | 0 | 0 | 114.1 | S94 L95 I101 I332 P337 A340 | S94-Q97 PolarHBondContact O-N 3.06Å; S94-Q97 VanDerWaalsContact OG-CB 3.27Å; S94-Q97 WeakPolarHBondContact OG-CB 3.07Å; S94-Q97 WeakPolarHBondContact OG-CG 3.12Å; S94-Q97 PolarHBondContact OG-N 3.18Å; S94-Q97 PolarHBondContact OG-OE1 3.41Å; L95-Q97 VanDerWaalsContact C-N 3.28Å; L95-Q97 PolarHBondContact O-N 3.21Å; Q97-I101 VanDerWaalsContact C-CG2 3.49Å; Q97-I101 VanDerWaalsContact O-CG2 3.26Å; Q97-I101 WeakPolarHBondContact O-CG2 3.38Å; Q97-I332 HydrophobicContact CG-CD1 3.29Å; Q97-I332 HydrophobicContact CG-CG1 4.31Å; Q97-P337 PolarHBondContact NE2-O 3.32Å; Q97-A340 HydrophobicContact CB-CB 3.87Å |
| 98 | S | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -89.5 | -178.2 | 59 | 0 | 0 | 0 | 0 | 110.5 | A85 S94 L95 F100 I101 | A85-S98 WeakPolarHBondContact CB-O 3.45Å; A85-S98 WeakPolarHBondContact O-CB 3.27Å; S94-S98 WeakPolarHBondContact O-CB 3.48Å; S94-S98 PolarHBondContact O-N 2.8Å; S94-S98 PolarHBondContact O-OG 3.37Å; L95-S98 PolarHBondContact O-N 3.23Å; S98-F100 PolarHBondContact O-N 2.78Å; S98-I101 VanDerWaalsContact O-CG1 3.29Å; S98-I101 WeakPolarHBondContact O-CG1 3.46Å; S98-I101 PolarHBondContact O-N 3Å |
| 99 | I | 96.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -66.6 | -41.3 | -172.7 | -60.8 | 176.9 | 0 | 0 | 0 | 111.3 | L82 F86 W89 L95 I101 C102 M105 V127 | L82-I99 HydrophobicContact CD2-CG2 4.32Å; F86-I99 HydrophobicContact CB-CD1 4.31Å; F86-I99 HydrophobicContact CB-CG1 4.5Å; F86-I99 HydrophobicContact CD2-CD1 3.96Å; W89-I99 HydrophobicContact CB-CD1 4.14Å; W89-I99 HydrophobicContact CB-CG1 4.34Å; W89-I99 HydrophobicContact CE3-CD1 4.49Å; W89-I99 HydrophobicContact CG-CD1 4.39Å; L95-I99 HydrophobicContact CD2-CD1 3.91Å; L95-I99 PolarHBondContact O-N 3.33Å; I99-I101 VanDerWaalsContact C-N 3.28Å; I99-I101 PolarHBondContact O-N 2.74Å; I99-C102 VanDerWaalsContact O-CB 3.3Å; I99-C102 WeakPolarHBondContact O-CB 3.45Å; I99-C102 PolarHBondContact O-N 2.71Å; I99-M105 HydrophobicContact CG2-CE 3.9Å; I99-M105 HydrophobicContact CG2-CG 3.88Å; I99-M105 HydrophobicContact CG2-SD 4.43Å; I99-V127 HydrophobicContact CD1-CB 4.49Å; I99-V127 HydrophobicContact CD1-CG1 3.97Å; I99-V127 HydrophobicContact CD1-CG2 3.66Å |
| 100 | F | 95.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 7.7 Ų | 7.7 | 1% | 0.009 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -85.1 | 8.3 | -174.1 | -75.9 | -88.8 | 0 | 0 | 0 | 114.3 | L95 S98 C102 M105 H106 M152 P153 I154 N328 | L95-F100 HydrophobicContact CB-CD2 4.07Å; L95-F100 HydrophobicContact CB-CE2 4.41Å; L95-F100 WeakPolarHBondContact O-CB 3.38Å; L95-F100 PolarHBondContact O-N 3.5Å; S98-F100 PolarHBondContact O-N 2.78Å; F100-C102 PolarHBondContact O-N 2.96Å; F100-M105 HydrophobicContact CD1-CB 3.91Å; F100-M105 HydrophobicContact CE1-CB 3.91Å; F100-M105 WeakPolarHBondContact CE1-O 3.49Å; F100-H106 AromaticContact CD1-CD2 3.97Å; F100-H106 AromaticContact CD1-CE1 3.85Å; F100-H106 AromaticContact CD1-NE2 3.76Å; F100-H106 PolarHBondContact O-NE2 3.47Å; F100-M152 HydrophobicContact CB-CG 3.91Å; F100-M152 HydrophobicContact CB-SD 3.48Å; F100-M152 WeakPolarHBondContact CB-SD 3.29Å; F100-M152 HydrophobicContact CD1-CB 3.92Å; F100-M152 HydrophobicContact CD1-CG 4.2Å; F100-M152 HydrophobicContact CD1-SD 3.96Å; F100-M152 HydrophobicContact CD2-CB 3.62Å; F100-M152 HydrophobicContact CD2-CG 3.77Å; F100-M152 HydrophobicContact CD2-SD 4.39Å; F100-M152 HydrophobicContact CE1-CB 3.96Å; F100-M152 HydrophobicContact CE2-CB 3.64Å; F100-M152 HydrophobicContact CE2-CG 4.31Å; F100-M152 HydrophobicContact CG-CB 3.74Å; F100-M152 HydrophobicContact CG-CG 3.69Å; F100-M152 HydrophobicContact CG-SD 3.7Å; F100-M152 HydrophobicContact CZ-CB 3.81Å; F100-P153 VanDerWaalsContact CE1-CD 3.48Å; F100-P153 HydrophobicContact CE1-CG 3.82Å; F100-I154 HydrophobicContact CZ-CB 4.37Å; F100-N328 VanDerWaalsContact C-ND2 3.33Å; F100-N328 PolarHBondContact O-ND2 3.23Å |
| 101 | I | 94.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -69.5 | -17.3 | 160.6 | 78.9 | -179.4 | 0 | 0 | 0 | 110.8 | Q97 S98 I99 Y318 F323 E324 V325 I342 | Q97-I101 VanDerWaalsContact C-CG2 3.49Å; Q97-I101 VanDerWaalsContact O-CG2 3.26Å; Q97-I101 WeakPolarHBondContact O-CG2 3.38Å; S98-I101 VanDerWaalsContact O-CG1 3.29Å; S98-I101 WeakPolarHBondContact O-CG1 3.46Å; S98-I101 PolarHBondContact O-N 3Å; I99-I101 VanDerWaalsContact C-N 3.28Å; I99-I101 PolarHBondContact O-N 2.74Å; I101-Y318 HydrophobicContact CD1-CE2 4.2Å; I101-F323 HydrophobicContact CD1-CD1 4.17Å; I101-F323 HydrophobicContact CG1-CD1 3.9Å; I101-F323 WeakPolarHBondContact O-CA 3.38Å; I101-E324 WeakPolarHBondContact CB-O 3.46Å; I101-E324 PolarHBondContact O-N 3.18Å; I101-V325 HydrophobicContact CD1-CG2 4.48Å; I101-I342 HydrophobicContact CD1-CD1 3.85Å; I101-I342 HydrophobicContact CD1-CG1 3.61Å |
| 102 | C | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | B | Isolated β-bridge | trans | -83.6 | 112 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | L82 I99 F100 Y104 M105 G322 F323 | L82-C102 HydrophobicContact CD2-CB 3.55Å; L82-C102 HydrophobicContact CG-CB 4.22Å; I99-C102 VanDerWaalsContact O-CB 3.3Å; I99-C102 WeakPolarHBondContact O-CB 3.45Å; I99-C102 PolarHBondContact O-N 2.71Å; F100-C102 PolarHBondContact O-N 2.96Å; C102-Y104 PolarHBondContact O-N 2.81Å; C102-M105 HydrophobicContact CB-CG 4.17Å; C102-M105 WeakPolarHBondContact O-CB 3.19Å; C102-M105 PolarHBondContact O-N 3.43Å; C102-G322 CarbonylContact C-O 3.51Å; C102-G322 WeakPolarHBondContact CA-O 3.3Å; C102-F323 HydrophobicContact CB-CD1 4.15Å; C102-F323 HydrophobicContact CB-CE1 3.78Å; C102-F323 HydrophobicContact CB-CZ 4.12Å |
| 103 | M | 95.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 10.9 Ų | 10.9 | 5% | 0.054 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -55.9 | -33.8 | 179.2 | -64.7 | -178.6 | 179.5 | 0 | 0 | 112.6 | V53 V55 A58 L64 M105 H106 C107 G322 E324 L327 | V53-M103 WeakPolarHBondContact O-CE 3.38Å; V55-M103 HydrophobicContact CG2-CB 4.42Å; V55-M103 HydrophobicContact CG2-CG 4.22Å; A58-M103 HydrophobicContact CB-CE 4.28Å; A58-M103 HydrophobicContact CB-SD 3.71Å; L64-M103 HydrophobicContact CD1-CB 4.01Å; L64-M103 HydrophobicContact CD1-SD 4.21Å; L64-M103 HydrophobicContact CD2-CB 3.94Å; M103-M105 PolarHBondContact O-N 3.39Å; M103-H106 WeakPolarHBondContact O-CB 3.41Å; M103-H106 PolarHBondContact O-N 3.45Å; M103-C107 PolarHBondContact O-N 3Å; M103-C107 PolarHBondContact O-SG 2.96Å; M103-C107 VanDerWaalsContact O-SG 3.4Å; M103-G322 WeakPolarHBondContact CB-O 3.01Å; M103-G322 WeakPolarHBondContact CG-O 3.1Å; M103-G322 PolarHBondContact N-O 2.87Å; M103-E324 HydrophobicContact CE-CB 3.69Å; M103-E324 HydrophobicContact CE-CG 4.36Å; M103-L327 HydrophobicContact CE-CD1 4.16Å; M103-L327 HydrophobicContact CG-CD2 3.8Å |
| 104 | Y | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -58.4 | -32.1 | 177.5 | -62.2 | -64.6 | 0 | 0 | 0 | 113.1 | L64 P65 F69 I78 C102 H106 C107 T108 I111 L116 | L64-Y104 HydrophobicContact CD1-CD1 4.28Å; L64-Y104 HydrophobicContact CD1-CE1 3.65Å; L64-Y104 HydrophobicContact CD1-CE2 4.07Å; L64-Y104 HydrophobicContact CD2-CE1 4.42Å; L64-Y104 HydrophobicContact CG-CE1 3.93Å; P65-Y104 WeakPolarHBondContact CD-OH 3.21Å; P65-Y104 WeakPolarHBondContact CG-OH 3.18Å; P65-Y104 WeakPolarHBondContact O-CE1 3.4Å; P65-Y104 PolarHBondContact O-OH 2.92Å; F69-Y104 WeakPolarHBondContact CZ-OH 3.35Å; I78-Y104 HydrophobicContact CD1-CE2 4.3Å; I78-Y104 HydrophobicContact CG2-CD2 4.12Å; I78-Y104 HydrophobicContact CG2-CE2 4.17Å; C102-Y104 PolarHBondContact O-N 2.81Å; Y104-H106 VanDerWaalsContact C-N 3.26Å; Y104-H106 PolarHBondContact O-N 3.4Å; Y104-C107 CarbonylContact O-C 3.5Å; Y104-C107 PolarHBondContact O-N 3.21Å; Y104-T108 WeakPolarHBondContact O-CA 3.21Å; Y104-T108 WeakPolarHBondContact O-CG2 3.48Å; Y104-T108 PolarHBondContact O-N 3.16Å; Y104-I111 HydrophobicContact CD1-CD1 4.33Å; Y104-I111 HydrophobicContact CD1-CG1 4.18Å; Y104-L116 HydrophobicContact CD1-CD2 3.98Å; Y104-L116 HydrophobicContact CD2-CD2 4.11Å; Y104-L116 HydrophobicContact CE1-CD2 4.09Å; Y104-L116 HydrophobicContact CE2-CD2 4.24Å; Y104-L116 HydrophobicContact CG-CD2 4Å |
| 105 | M | 96 | Very high | 93.2 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -71.4 | -20.9 | 178 | -63.5 | -60.5 | -61 | 0 | 0 | 112.8 | L82 I99 F100 C102 M103 C120 L123 R124 | L82-M105 HydrophobicContact CD1-SD 4.46Å; L82-M105 HydrophobicContact CD2-CG 3.67Å; L82-M105 HydrophobicContact CD2-SD 4.1Å; I99-M105 HydrophobicContact CG2-CE 3.9Å; I99-M105 HydrophobicContact CG2-CG 3.88Å; I99-M105 HydrophobicContact CG2-SD 4.43Å; F100-M105 HydrophobicContact CD1-CB 3.91Å; F100-M105 HydrophobicContact CE1-CB 3.91Å; F100-M105 WeakPolarHBondContact CE1-O 3.49Å; C102-M105 HydrophobicContact CB-CG 4.17Å; C102-M105 WeakPolarHBondContact O-CB 3.19Å; C102-M105 PolarHBondContact O-N 3.43Å; M103-M105 PolarHBondContact O-N 3.39Å; M105-C120 HydrophobicContact SD-CB 3.84Å; M105-L123 HydrophobicContact CE-CD2 4.5Å; M105-R124 HydrophobicContact CE-CB 3.92Å |
| 106 | H | 93.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 11.2 Ų | 11.2 | 7% | 0.065 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -33.3 | 175 | -69.1 | -94.1 | 0 | 0 | 0 | 112.9 | V55 F100 M103 Y104 M152 F161 L327 N328 | V55-H106 HydrophobicContact CG2-CB 4.15Å; F100-H106 AromaticContact CD1-CD2 3.97Å; F100-H106 AromaticContact CD1-CE1 3.85Å; F100-H106 AromaticContact CD1-NE2 3.76Å; F100-H106 PolarHBondContact O-NE2 3.47Å; M103-H106 WeakPolarHBondContact O-CB 3.41Å; M103-H106 PolarHBondContact O-N 3.45Å; Y104-H106 VanDerWaalsContact C-N 3.26Å; Y104-H106 PolarHBondContact O-N 3.4Å; H106-M152 VanDerWaalsContact CE1-SD 3.52Å; H106-F161 HydrophobicContact CB-CE2 3.87Å; H106-F161 HydrophobicContact CB-CZ 4.21Å; H106-F161 WeakPolarHBondContact O-CD2 3.21Å; H106-F161 VanDerWaalsContact O-CE2 3.31Å; H106-F161 WeakPolarHBondContact O-CE2 3.03Å; H106-L327 WeakPolarHBondContact NE2-CD2 3.44Å; H106-N328 PolarHBondContact CE1-OD1 2.99Å; H106-N328 PolarHBondContact NE2-OD1 3.4Å |
| 107 | C | 91.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -125.4 | 45.3 | -171.8 | 65.5 | 0 | 0 | 0 | 0 | 112 | M103 Y104 Q109 L110 F161 | M103-C107 PolarHBondContact O-N 3Å; M103-C107 PolarHBondContact O-SG 2.96Å; M103-C107 VanDerWaalsContact O-SG 3.4Å; Y104-C107 CarbonylContact O-C 3.5Å; Y104-C107 PolarHBondContact O-N 3.21Å; C107-Q109 VanDerWaalsContact C-OE1 3.24Å; C107-Q109 PolarHBondContact O-N 3.2Å; C107-L110 HydrophobicContact CB-CB 4.44Å; C107-L110 HydrophobicContact CB-CD1 4.1Å; C107-L110 HydrophobicContact CB-CG 4.28Å; C107-L110 PolarHBondContact O-N 3.47Å; C107-F161 HydrophobicContact CB-CB 4.23Å; C107-F161 HydrophobicContact CB-CD2 3.96Å; C107-F161 HydrophobicContact CB-CG 4.07Å | ||
| 108 | T | 91.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 10.8 Ų | 10.8 | 5% | 0.049 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -55.3 | -29.8 | -175.4 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | Y104 L110 I111 C120 | Y104-T108 WeakPolarHBondContact O-CA 3.21Å; Y104-T108 WeakPolarHBondContact O-CG2 3.48Å; Y104-T108 PolarHBondContact O-N 3.16Å; T108-L110 VanDerWaalsContact C-N 3.28Å; T108-L110 PolarHBondContact O-N 3.12Å; T108-I111 PolarHBondContact O-N 2.81Å; T108-C120 HydrophobicContact CG2-CB 4.03Å |
| 109 | Q | 88.4 | Confident | 93.8 | Very high | 8 Ų | 8 | 10.8 Ų | 10.8 | 4% | 0.037 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -71.1 | -18.2 | 179 | 76.2 | -84.9 | 32.9 | 0 | 0 | 114.7 | C107 P157 S158 D162 N169 | C107-Q109 VanDerWaalsContact C-OE1 3.24Å; C107-Q109 PolarHBondContact O-N 3.2Å; Q109-P157 HydrophobicContact CB-CB 4.11Å; Q109-P157 HydrophobicContact CG-CB 4.42Å; Q109-S158 PolarHBondContact NE2-O 3.05Å; Q109-D162 PolarHBondContact NE2-OD1 2.8Å; Q109-D162 VanDerWaalsContact NE2-OD1 3.07Å; Q109-N169 PolarHBondContact O-N 3.06Å |
| 110 | L | 91.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -94.7 | -8 | -179 | -58 | -173.7 | 0 | 0 | 0 | 112.9 | L59 L66 C107 T108 R112 F161 D165 | L59-L110 HydrophobicContact CD1-CD1 3.99Å; L59-L110 HydrophobicContact CD2-CD1 4.17Å; L66-L110 HydrophobicContact CD1-CB 4.24Å; L66-L110 HydrophobicContact CD2-CB 4.39Å; C107-L110 HydrophobicContact CB-CB 4.44Å; C107-L110 HydrophobicContact CB-CD1 4.1Å; C107-L110 HydrophobicContact CB-CG 4.28Å; C107-L110 PolarHBondContact O-N 3.47Å; T108-L110 VanDerWaalsContact C-N 3.28Å; T108-L110 PolarHBondContact O-N 3.12Å; L110-R112 PolarHBondContact O-N 2.63Å; L110-F161 HydrophobicContact CD1-CB 3.9Å; L110-D165 HydrophobicContact CD2-CB 4.03Å |
| 111 | I | 92.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | trans | -69.2 | 119.8 | -177.7 | -54.3 | 173.5 | 0 | 0 | 0 | 109.2 | Y104 T108 D113 L116 A117 C120 N169 | Y104-I111 HydrophobicContact CD1-CD1 4.33Å; Y104-I111 HydrophobicContact CD1-CG1 4.18Å; T108-I111 PolarHBondContact O-N 2.81Å; I111-D113 HydrophobicContact CG2-CB 4.36Å; I111-L116 HydrophobicContact CD1-CG 4.42Å; I111-L116 HydrophobicContact CG2-CB 3.95Å; I111-L116 HydrophobicContact CG2-CD2 4.11Å; I111-L116 HydrophobicContact CG2-CG 4.06Å; I111-A117 HydrophobicContact CB-CB 3.92Å; I111-A117 HydrophobicContact CG2-CB 3.89Å; I111-C120 HydrophobicContact CD1-CB 4.01Å; I111-N169 PolarHBondContact O-ND2 3.38Å | ||
| 112 | R | 90.6 | Very high | 93.8 | Very high | 121 Ų | 121 | 10.8 Ų | 10.8 | 46% | 0.457 | 5% | 0.045 | S | C | . | . | trans | -89.4 | -28 | 179 | -59.6 | 179.2 | -177.4 | 167.7 | -0.8 | 112.5 | L66 L110 K114 D165 F167 | L66-R112 HydrophobicContact CB-CG 4.25Å; L66-R112 WeakPolarHBondContact O-CA 3.42Å; L66-R112 WeakPolarHBondContact O-CB 3.46Å; L66-R112 PolarHBondContact O-N 2.95Å; L110-R112 PolarHBondContact O-N 2.63Å; R112-K114 PolarHBondContact O-N 2.84Å; R112-K114 VanDerWaalsContact O-N 3.12Å; R112-D165 IonicContact CZ-OD2 3.44Å; R112-D165 IonicContact NE-OD2 3.33Å; R112-D165 PolarHBondContact NE-OD2 3.28Å; R112-D165 IonicContact NH2-OD1 3.75Å; R112-D165 IonicContact NH2-OD2 2.71Å; R112-D165 PolarHBondContact NH2-OD2 2.79Å; R112-F167 HydrophobicContact CG-CD1 4.04Å; R112-F167 HydrophobicContact CG-CE1 4.12Å | ||
| 113 | D | 92.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.011 | 5% | 0.045 | C | C | . | . | trans | -66.3 | 109.9 | 171.1 | -167.5 | -73.6 | 0 | 0 | 0 | 110.2 | L66 F69 I111 Y115 L116 A117 | L66-D113 PolarHBondContact O-N 2.96Å; F69-D113 HydrophobicContact CD2-CB 3.91Å; F69-D113 HydrophobicContact CE2-CB 4.37Å; F69-D113 PolarHBondContact N-OD2 3.04Å; I111-D113 HydrophobicContact CG2-CB 4.36Å; D113-Y115 PolarHBondContact O-N 2.68Å; D113-Y115 WeakPolarHBondContact OD1-CB 2.98Å; D113-Y115 PolarHBondContact OD1-N 3.38Å; D113-L116 HydrophobicContact CB-CB 4.02Å; D113-L116 PolarHBondContact O-N 3.5Å; D113-L116 PolarHBondContact OD1-N 3.29Å; D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.37Å; D113-A117 PolarHBondContact O-N 2.85Å | ||
| 114 | K | 91.3 | Very high | 93.9 | Very high | 53 Ų | 53 | 10.7 Ų | 10.7 | 23% | 0.23 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -59.3 | -32.2 | -175.3 | 61.4 | -174.5 | 179.1 | 156.9 | 0 | 113.7 | R112 A118 L187 E194 | R112-K114 PolarHBondContact O-N 2.84Å; R112-K114 VanDerWaalsContact O-N 3.12Å; K114-A118 WeakPolarHBondContact O-CB 3.43Å; K114-A118 PolarHBondContact O-N 3.48Å; K114-A118 VanDerWaalsContact O-N 3.14Å; K114-L187 HydrophobicContact CB-CD2 4.15Å; K114-L187 HydrophobicContact CD-CD2 3.69Å; K114-L187 HydrophobicContact CG-CD2 3.95Å; K114-E194 WeakPolarHBondContact CE-OE2 3.34Å; K114-E194 IonicContact NZ-OE1 3.68Å; K114-E194 PolarHBondContact NZ-OE1 2.94Å; K114-E194 IonicContact NZ-OE2 3.59Å; K114-E194 PolarHBondContact NZ-OE2 2.58Å |
| 115 | Y | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -76.9 | -45 | -179.9 | -58.8 | -66.9 | 0 | 0 | 0 | 110.9 | D113 A118 F119 L187 L191 E194 F198 L209 L213 | D113-Y115 PolarHBondContact O-N 2.68Å; D113-Y115 WeakPolarHBondContact OD1-CB 2.98Å; D113-Y115 PolarHBondContact OD1-N 3.38Å; Y115-A118 PolarHBondContact O-N 3.43Å; Y115-F119 VanDerWaalsContact O-CB 3.32Å; Y115-F119 WeakPolarHBondContact O-CB 3.41Å; Y115-F119 PolarHBondContact O-N 2.89Å; Y115-L187 HydrophobicContact CD1-CB 4.38Å; Y115-L187 HydrophobicContact CE1-CB 4.07Å; Y115-L187 HydrophobicContact CE1-CD2 4.27Å; Y115-L191 HydrophobicContact CD1-CD1 3.93Å; Y115-L191 HydrophobicContact CE1-CD1 3.19Å; Y115-L191 HydrophobicContact CE2-CD1 4.04Å; Y115-L191 WeakPolarHBondContact OH-CD1 3.32Å; Y115-E194 PolarHBondContact OH-OE2 2.83Å; Y115-F198 HydrophobicContact CD2-CZ 4.08Å; Y115-F198 HydrophobicContact CE2-CE2 4.3Å; Y115-F198 AromaticContact CE2-CZ 3.85Å; Y115-F198 HydrophobicContact CE2-CZ 3.85Å; Y115-L209 HydrophobicContact CD1-CD2 4.31Å; Y115-L209 HydrophobicContact CD2-CD2 4.17Å; Y115-L209 HydrophobicContact CG-CD2 3.97Å; Y115-L213 HydrophobicContact CD1-CD1 3.8Å |
| 116 | L | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 175.5 | -172.9 | 59 | 0 | 0 | 0 | 111.5 | F69 L75 I78 I79 Y104 I111 D113 F119 C120 | F69-L116 HydrophobicContact CE2-CD2 3.82Å; F69-L116 HydrophobicContact CZ-CD2 4.46Å; L75-L116 HydrophobicContact CD1-CB 3.88Å; L75-L116 HydrophobicContact CD1-CD1 4.27Å; L75-L116 HydrophobicContact CD1-CG 4.44Å; I78-L116 HydrophobicContact CG2-CD1 4.04Å; I79-L116 HydrophobicContact CG1-CD1 4.19Å; Y104-L116 HydrophobicContact CD1-CD2 3.98Å; Y104-L116 HydrophobicContact CD2-CD2 4.11Å; Y104-L116 HydrophobicContact CE1-CD2 4.09Å; Y104-L116 HydrophobicContact CE2-CD2 4.24Å; Y104-L116 HydrophobicContact CG-CD2 4Å; I111-L116 HydrophobicContact CD1-CG 4.42Å; I111-L116 HydrophobicContact CG2-CB 3.95Å; I111-L116 HydrophobicContact CG2-CD2 4.11Å; I111-L116 HydrophobicContact CG2-CG 4.06Å; D113-L116 HydrophobicContact CB-CB 4.02Å; D113-L116 PolarHBondContact O-N 3.5Å; D113-L116 PolarHBondContact OD1-N 3.29Å; L116-F119 PolarHBondContact O-N 2.76Å; L116-C120 WeakPolarHBondContact O-CB 3.14Å; L116-C120 PolarHBondContact O-N 3.17Å; L116-C120 PolarHBondContact O-SG 2.75Å |
| 117 | A | 94.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 2% | 0.017 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I111 D113 E121 N169 L172 | I111-A117 HydrophobicContact CB-CB 3.92Å; I111-A117 HydrophobicContact CG2-CB 3.89Å; D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.37Å; D113-A117 PolarHBondContact O-N 2.85Å; A117-E121 WeakPolarHBondContact O-CB 3.39Å; A117-E121 PolarHBondContact O-N 2.91Å; A117-N169 WeakPolarHBondContact CB-ND2 3.47Å; A117-L172 HydrophobicContact CB-CD1 3.93Å |
| 118 | A | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K114 Y115 E121 L122 V184 L187 | K114-A118 WeakPolarHBondContact O-CB 3.43Å; K114-A118 PolarHBondContact O-N 3.48Å; K114-A118 VanDerWaalsContact O-N 3.14Å; Y115-A118 PolarHBondContact O-N 3.43Å; A118-E121 PolarHBondContact O-N 3.18Å; A118-L122 WeakPolarHBondContact O-CB 3.15Å; A118-L122 VanDerWaalsContact O-CG 3.23Å; A118-L122 WeakPolarHBondContact O-CG 3.43Å; A118-L122 PolarHBondContact O-N 3.11Å; A118-V184 HydrophobicContact CB-CG2 4.19Å; A118-L187 HydrophobicContact CB-CD1 3.66Å |
| 119 | F | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.2 | -51.4 | 177.7 | 178.7 | -89.5 | 0 | 0 | 0 | 112.2 | I79 L82 L83 Y115 L116 E121 L122 L123 R212 L213 V216 | I79-F119 HydrophobicContact CD1-CG 4.41Å; I79-F119 HydrophobicContact CG1-CD1 4.18Å; I79-F119 HydrophobicContact CG1-CD2 4.48Å; I79-F119 HydrophobicContact CG1-CG 4.19Å; I79-F119 HydrophobicContact CG2-CD1 4.42Å; I79-F119 HydrophobicContact CG2-CD2 3.82Å; I79-F119 HydrophobicContact CG2-CE1 4.13Å; I79-F119 HydrophobicContact CG2-CE2 3.46Å; I79-F119 VanDerWaalsContact CG2-CE2 3.46Å; I79-F119 HydrophobicContact CG2-CG 4.3Å; I79-F119 HydrophobicContact CG2-CZ 3.66Å; L82-F119 HydrophobicContact CB-CE1 3.95Å; L82-F119 HydrophobicContact CD1-CD1 4.25Å; L82-F119 HydrophobicContact CD1-CE1 3.91Å; L83-F119 HydrophobicContact CD2-CE2 4.17Å; L83-F119 HydrophobicContact CD2-CZ 3.79Å; L83-F119 HydrophobicContact CG-CE2 4.3Å; L83-F119 HydrophobicContact CG-CZ 3.84Å; Y115-F119 VanDerWaalsContact O-CB 3.32Å; Y115-F119 WeakPolarHBondContact O-CB 3.41Å; Y115-F119 PolarHBondContact O-N 2.89Å; L116-F119 PolarHBondContact O-N 2.76Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 3.41Å; F119-L122 PolarHBondContact O-N 2.68Å; F119-L123 HydrophobicContact CE1-CD2 3.97Å; F119-L123 HydrophobicContact CZ-CD2 4.33Å; F119-L123 WeakPolarHBondContact O-CB 3.48Å; F119-L123 PolarHBondContact O-N 3.11Å; F119-R212 HydrophobicContact CE2-CB 4.37Å; F119-L213 HydrophobicContact CB-CD2 3.94Å; F119-V216 HydrophobicContact CD2-CB 4.48Å; F119-V216 HydrophobicContact CD2-CG2 3.86Å; F119-V216 HydrophobicContact CE2-CB 4.29Å; F119-V216 HydrophobicContact CE2-CG2 3.24Å; F119-V216 HydrophobicContact CZ-CG2 3.84Å |
| 120 | C | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | -179.3 | -75.1 | 0 | 0 | 0 | 0 | 111.6 | M105 T108 I111 L116 L123 R124 | M105-C120 HydrophobicContact SD-CB 3.84Å; T108-C120 HydrophobicContact CG2-CB 4.03Å; I111-C120 HydrophobicContact CD1-CB 4.01Å; L116-C120 WeakPolarHBondContact O-CB 3.14Å; L116-C120 PolarHBondContact O-N 3.17Å; L116-C120 PolarHBondContact O-SG 2.75Å; C120-L123 PolarHBondContact O-N 2.79Å; C120-R124 VanDerWaalsContact O-CB 3.25Å; C120-R124 WeakPolarHBondContact O-CB 3.49Å; C120-R124 PolarHBondContact O-N 3.46Å |
| 121 | E | 94.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.019 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.4 | -42.7 | 178.9 | -179 | 56.9 | -162.6 | 0 | 0 | 112.4 | A117 A118 F119 R124 R125 L172 H173 L180 | A117-E121 WeakPolarHBondContact O-CB 3.39Å; A117-E121 PolarHBondContact O-N 2.91Å; A118-E121 PolarHBondContact O-N 3.18Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-E121 PolarHBondContact O-N 3.41Å; E121-R124 VanDerWaalsContact CD-NH2 3.34Å; E121-R124 IonicContact OE1-CZ 3.86Å; E121-R124 IonicContact OE1-NE 2.69Å; E121-R124 IonicContact OE1-NH2 2.81Å; E121-R124 PolarHBondContact OE1-NH2 3.49Å; E121-R124 IonicContact OE2-CZ 3.56Å; E121-R124 IonicContact OE2-NE 3.96Å; E121-R124 PolarHBondContact OE2-NE 3.07Å; E121-R124 IonicContact OE2-NH2 2.69Å; E121-R124 PolarHBondContact OE2-NH2 3.25Å; E121-R125 WeakPolarHBondContact O-CG 3.37Å; E121-R125 PolarHBondContact O-N 3.42Å; E121-R125 VanDerWaalsContact O-N 3.17Å; E121-R125 IonicContact OE1-CZ 3.62Å; E121-R125 IonicContact OE1-NE 3.54Å; E121-R125 PolarHBondContact OE1-NE 3.25Å; E121-R125 IonicContact OE1-NH2 3.7Å; E121-R125 PolarHBondContact OE1-NH2 2.99Å; E121-L172 HydrophobicContact CG-CB 4.22Å; E121-H173 WeakPolarHBondContact OE1-CA 3.48Å; E121-L180 HydrophobicContact CG-CD2 4.13Å |
| 122 | L | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 172.5 | -74.1 | 169.8 | 0 | 0 | 0 | 110.9 | A118 F119 R125 S126 L180 V184 V216 Q217 L220 | A118-L122 WeakPolarHBondContact O-CB 3.15Å; A118-L122 VanDerWaalsContact O-CG 3.23Å; A118-L122 WeakPolarHBondContact O-CG 3.43Å; A118-L122 PolarHBondContact O-N 3.11Å; F119-L122 PolarHBondContact O-N 2.68Å; L122-R125 PolarHBondContact O-N 3Å; L122-S126 PolarHBondContact O-N 2.91Å; L122-S126 PolarHBondContact O-OG 3.33Å; L122-L180 HydrophobicContact CD2-CD2 3.69Å; L122-L180 HydrophobicContact CD2-CG 3.85Å; L122-L180 HydrophobicContact CG-CD2 4.25Å; L122-L180 HydrophobicContact CG-CG 4.43Å; L122-V184 HydrophobicContact CD1-CG1 4.38Å; L122-V184 HydrophobicContact CD1-CG2 3.72Å; L122-V184 HydrophobicContact CD2-CG2 4.45Å; L122-V184 HydrophobicContact CG-CG2 4.27Å; L122-V216 HydrophobicContact CB-CB 4.2Å; L122-V216 HydrophobicContact CB-CG1 3.53Å; L122-V216 HydrophobicContact CD1-CB 4.49Å; L122-Q217 HydrophobicContact CD1-CB 4.15Å; L122-L220 HydrophobicContact CD2-CB 4.33Å; L122-L220 HydrophobicContact CD2-CD2 3.54Å |
| 123 | L | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | -177.7 | -178.7 | 62 | 0 | 0 | 0 | 110.9 | L82 F86 M105 F119 C120 R125 S126 V127 V216 | L82-L123 HydrophobicContact CB-CD2 4.34Å; L82-L123 HydrophobicContact CD2-CD2 4.45Å; F86-L123 HydrophobicContact CB-CD1 4.36Å; F86-L123 HydrophobicContact CD1-CD1 4.13Å; F86-L123 HydrophobicContact CD2-CD1 4.31Å; F86-L123 HydrophobicContact CG-CD1 4.02Å; M105-L123 HydrophobicContact CE-CD2 4.5Å; F119-L123 HydrophobicContact CE1-CD2 3.97Å; F119-L123 HydrophobicContact CZ-CD2 4.33Å; F119-L123 WeakPolarHBondContact O-CB 3.48Å; F119-L123 PolarHBondContact O-N 3.11Å; C120-L123 PolarHBondContact O-N 2.79Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 3.09Å; L123-S126 PolarHBondContact O-N 3.39Å; L123-V127 HydrophobicContact CD1-CG2 3.96Å; L123-V127 HydrophobicContact CG-CG2 4.21Å; L123-V127 WeakPolarHBondContact O-CG2 2.88Å; L123-V127 PolarHBondContact O-N 3.27Å; L123-V216 HydrophobicContact CB-CG1 3.89Å; L123-V216 HydrophobicContact CD1-CG1 4.37Å; L123-V216 VanDerWaalsContact N-CG1 3.33Å |
| 124 | R | 95.6 | Very high | 94 | Very high | 10 Ų | 10 | 13 Ų | 13 | 4% | 0.038 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -54.2 | -47.8 | 178 | -173 | -170.3 | 66.2 | 78.5 | -9.1 | 111.3 | M105 C120 E121 V127 Y128 I154 H155 | M105-R124 HydrophobicContact CE-CB 3.92Å; C120-R124 VanDerWaalsContact O-CB 3.25Å; C120-R124 WeakPolarHBondContact O-CB 3.49Å; C120-R124 PolarHBondContact O-N 3.46Å; E121-R124 VanDerWaalsContact CD-NH2 3.34Å; E121-R124 IonicContact OE1-CZ 3.86Å; E121-R124 IonicContact OE1-NE 2.69Å; E121-R124 IonicContact OE1-NH2 2.81Å; E121-R124 PolarHBondContact OE1-NH2 3.49Å; E121-R124 IonicContact OE2-CZ 3.56Å; E121-R124 IonicContact OE2-NE 3.96Å; E121-R124 PolarHBondContact OE2-NE 3.07Å; E121-R124 IonicContact OE2-NH2 2.69Å; E121-R124 PolarHBondContact OE2-NH2 3.25Å; R124-V127 PolarHBondContact O-N 3.07Å; R124-Y128 WeakPolarHBondContact O-CB 3.45Å; R124-Y128 PolarHBondContact O-N 3.06Å; R124-I154 HydrophobicContact CG-CG1 4.39Å; R124-I154 PolarHBondContact NH1-O 3.24Å; R124-H155 PolarHBondContact NH1-O 2.73Å |
| 125 | R | 94.5 | Very high | 93.7 | Very high | 32 Ų | 32 | 12.5 Ų | 12.5 | 12% | 0.121 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67 | -41.8 | 178.2 | -68.7 | -179.5 | -176.8 | -151.1 | 5.6 | 112.9 | E121 L122 L123 V127 Y128 Q129 L172 H173 L175 L220 | E121-R125 WeakPolarHBondContact O-CG 3.37Å; E121-R125 PolarHBondContact O-N 3.42Å; E121-R125 VanDerWaalsContact O-N 3.17Å; E121-R125 IonicContact OE1-CZ 3.62Å; E121-R125 IonicContact OE1-NE 3.54Å; E121-R125 PolarHBondContact OE1-NE 3.25Å; E121-R125 IonicContact OE1-NH2 3.7Å; E121-R125 PolarHBondContact OE1-NH2 2.99Å; L122-R125 PolarHBondContact O-N 3Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 3.09Å; R125-V127 VanDerWaalsContact C-N 3.33Å; R125-V127 PolarHBondContact O-N 3.3Å; R125-Y128 WeakPolarHBondContact O-CB 3.46Å; R125-Y128 PolarHBondContact O-N 3.05Å; R125-Q129 WeakPolarHBondContact O-CG 3.27Å; R125-Q129 PolarHBondContact O-N 2.87Å; R125-L172 PolarHBondContact NH2-O 3.16Å; R125-H173 PolarHBondContact NH2-O 2.8Å; R125-L175 VanDerWaalsContact CZ-O 3.24Å; R125-L175 PolarHBondContact NH1-O 3.38Å; R125-L175 PolarHBondContact NH2-O 3.44Å; R125-L220 HydrophobicContact CB-CD1 3.65Å |
| 126 | S | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.5 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | L122 L123 Q129 L130 L220 | L122-S126 PolarHBondContact O-N 2.91Å; L122-S126 PolarHBondContact O-OG 3.33Å; L123-S126 PolarHBondContact O-N 3.39Å; S126-Q129 PolarHBondContact O-N 3.38Å; S126-L130 WeakPolarHBondContact O-CB 3.45Å; S126-L130 VanDerWaalsContact O-CG 3.27Å; S126-L130 WeakPolarHBondContact O-CG 3.49Å; S126-L130 PolarHBondContact O-N 2.88Å; S126-L220 VanDerWaalsContact OG-CA 3.3Å; S126-L220 WeakPolarHBondContact OG-CA 3.43Å; S126-L220 WeakPolarHBondContact OG-CB 3.38Å; S126-L220 PolarHBondContact OG-N 2.65Å |
| 127 | V | 95.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.1 | -40.2 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | F86 W89 L95 I99 L123 R124 R125 Q129 L130 R131 I154 | F86-V127 HydrophobicContact CD2-CG2 3.86Å; F86-V127 HydrophobicContact CE2-CG2 3.81Å; W89-V127 HydrophobicContact CD2-CG1 4.09Å; W89-V127 HydrophobicContact CE3-CG1 3.83Å; W89-V127 HydrophobicContact CH2-CB 4.44Å; W89-V127 HydrophobicContact CH2-CG1 3.59Å; W89-V127 WeakPolarHBondContact CH2-O 3.4Å; W89-V127 HydrophobicContact CZ2-CG1 3.89Å; W89-V127 HydrophobicContact CZ3-CB 4.24Å; W89-V127 HydrophobicContact CZ3-CG1 3.58Å; W89-V127 HydrophobicContact CZ3-CG2 4.35Å; L95-V127 HydrophobicContact CD2-CG1 3.56Å; I99-V127 HydrophobicContact CD1-CB 4.49Å; I99-V127 HydrophobicContact CD1-CG1 3.97Å; I99-V127 HydrophobicContact CD1-CG2 3.66Å; L123-V127 HydrophobicContact CD1-CG2 3.96Å; L123-V127 HydrophobicContact CG-CG2 4.21Å; L123-V127 WeakPolarHBondContact O-CG2 2.88Å; L123-V127 PolarHBondContact O-N 3.27Å; R124-V127 PolarHBondContact O-N 3.07Å; R125-V127 VanDerWaalsContact C-N 3.33Å; R125-V127 PolarHBondContact O-N 3.3Å; V127-Q129 PolarHBondContact O-N 3.43Å; V127-L130 PolarHBondContact O-N 3.41Å; V127-R131 VanDerWaalsContact O-CB 3.28Å; V127-R131 WeakPolarHBondContact O-CB 3.33Å; V127-R131 PolarHBondContact O-N 3.43Å; V127-I154 HydrophobicContact CB-CD1 3.82Å; V127-I154 HydrophobicContact CG1-CD1 3.32Å |
| 128 | Y | 93.6 | Very high | 91.1 | Very high | 77 Ų | 77 | 17.8 Ų | 17.8 | 30% | 0.302 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -56.9 | -51.1 | 174.1 | 177.7 | -109.9 | 0 | 0 | 0 | 111.9 | R124 R125 R131 D132 I154 H155 | R124-Y128 WeakPolarHBondContact O-CB 3.45Å; R124-Y128 PolarHBondContact O-N 3.06Å; R125-Y128 WeakPolarHBondContact O-CB 3.46Å; R125-Y128 PolarHBondContact O-N 3.05Å; Y128-R131 WeakPolarHBondContact O-CB 3.25Å; Y128-R131 PolarHBondContact O-N 2.86Å; Y128-D132 PolarHBondContact O-N 3.31Å; Y128-D132 VanDerWaalsContact O-N 3.12Å; Y128-I154 HydrophobicContact CD2-CG2 4.19Å; Y128-H155 HydrophobicContact CE2-CB 4.33Å; Y128-H155 AromaticContact CE2-CD2 3.86Å; Y128-H155 AromaticContact CZ-CD2 3.71Å; Y128-H155 PolarHBondContact OH-CD2 3.19Å |
| 129 | Q | 93.4 | Very high | 90.2 | Very high | 24 Ų | 24 | 18.6 Ų | 18.6 | 11% | 0.112 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 179.2 | -70.7 | -178.7 | -16.8 | 0 | 0 | 111.8 | R125 S126 V127 R131 D132 I133 T223 N224 | R125-Q129 WeakPolarHBondContact O-CG 3.27Å; R125-Q129 PolarHBondContact O-N 2.87Å; S126-Q129 PolarHBondContact O-N 3.38Å; V127-Q129 PolarHBondContact O-N 3.43Å; Q129-R131 VanDerWaalsContact C-N 3.31Å; Q129-R131 PolarHBondContact O-N 3.5Å; Q129-D132 PolarHBondContact O-N 3.3Å; Q129-I133 WeakPolarHBondContact O-CD1 3.44Å; Q129-I133 WeakPolarHBondContact O-CG1 3.27Å; Q129-I133 PolarHBondContact O-N 2.7Å; Q129-T223 VanDerWaalsContact OE1-C 3.25Å; Q129-T223 VanDerWaalsContact OE1-CB 3.29Å; Q129-T223 PolarHBondContact OE1-OG1 3.2Å; Q129-N224 PolarHBondContact NE2-OD1 3.26Å |
| 130 | L | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 176.2 | -78.7 | 167.2 | 0 | 0 | 0 | 112 | F86 W89 L90 S126 V127 I133 I134 T223 L422 | F86-L130 HydrophobicContact CE2-CD1 3.95Å; F86-L130 HydrophobicContact CZ-CD1 3.62Å; W89-L130 HydrophobicContact CH2-CB 3.83Å; W89-L130 HydrophobicContact CZ3-CB 3.96Å; W89-L130 HydrophobicContact CZ3-CD1 4.3Å; L90-L130 HydrophobicContact CD2-CD1 4.49Å; S126-L130 WeakPolarHBondContact O-CB 3.45Å; S126-L130 VanDerWaalsContact O-CG 3.27Å; S126-L130 WeakPolarHBondContact O-CG 3.49Å; S126-L130 PolarHBondContact O-N 2.88Å; V127-L130 PolarHBondContact O-N 3.41Å; L130-I133 PolarHBondContact O-N 2.69Å; L130-I134 WeakPolarHBondContact O-CB 3.44Å; L130-I134 WeakPolarHBondContact O-CD1 3.34Å; L130-I134 WeakPolarHBondContact O-CG1 3.35Å; L130-I134 PolarHBondContact O-N 3.22Å; L130-T223 HydrophobicContact CD1-CG2 4Å; L130-T223 HydrophobicContact CD2-CG2 3.67Å; L130-T223 HydrophobicContact CG-CG2 3.47Å; L130-T223 VanDerWaalsContact CG-CG2 3.47Å; L130-L422 HydrophobicContact CD2-CD1 3.64Å; L130-L422 HydrophobicContact CD2-CD2 4.16Å |
| 131 | R | 91.9 | Very high | 88.7 | Confident | 38 Ų | 38 | 25.2 Ų | 25.2 | 14% | 0.143 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 176.6 | -179.2 | -172.1 | 171.7 | -86.2 | -7.2 | 110.7 | W89 V127 Y128 Q129 I134 S135 I147 | W89-R131 HydrophobicContact CH2-CB 4.14Å; W89-R131 HydrophobicContact CZ2-CB 3.98Å; V127-R131 VanDerWaalsContact O-CB 3.28Å; V127-R131 WeakPolarHBondContact O-CB 3.33Å; V127-R131 PolarHBondContact O-N 3.43Å; Y128-R131 WeakPolarHBondContact O-CB 3.25Å; Y128-R131 PolarHBondContact O-N 2.86Å; Q129-R131 VanDerWaalsContact C-N 3.31Å; Q129-R131 PolarHBondContact O-N 3.5Å; R131-I134 PolarHBondContact O-N 3.14Å; R131-S135 WeakPolarHBondContact O-CB 3.32Å; R131-S135 PolarHBondContact O-N 2.85Å; R131-S135 PolarHBondContact O-OG 3.02Å; R131-I147 HydrophobicContact CG-CG2 4.06Å; R131-I147 VanDerWaalsContact CZ-O 3.29Å; R131-I147 PolarHBondContact NE-O 3.43Å; R131-I147 PolarHBondContact NH2-O 3.45Å |
| 132 | D | 88.6 | Confident | 87.8 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 15% | 0.15 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.9 | -171.3 | 61.4 | 0 | 0 | 0 | 111.5 | Y128 Q129 I134 S135 T136 H231 R234 | Y128-D132 PolarHBondContact O-N 3.31Å; Y128-D132 VanDerWaalsContact O-N 3.12Å; Q129-D132 PolarHBondContact O-N 3.3Å; D132-I134 PolarHBondContact O-N 3.03Å; D132-S135 PolarHBondContact O-N 2.72Å; D132-T136 WeakPolarHBondContact O-CB 3.4Å; D132-T136 PolarHBondContact O-N 2.69Å; D132-T136 PolarHBondContact O-OG1 3.31Å; D132-H231 IonicContact OD1-NE2 2.69Å; D132-H231 IonicContact OD2-CD2 2.79Å; D132-H231 PolarHBondContact OD2-CD2 3.24Å; D132-H231 IonicContact OD2-CE1 3.88Å; D132-H231 IonicContact OD2-NE2 3.94Å; D132-H231 PolarHBondContact OD2-NE2 3.04Å; D132-R234 IonicContact OD1-NH1 3.74Å; D132-R234 IonicContact OD2-NH1 2.86Å |
| 133 | I | 90.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 175.9 | -65.9 | 160.7 | 0 | 0 | 0 | 111.4 | Q129 L130 T136 I226 I230 T425 I426 | Q129-I133 WeakPolarHBondContact O-CD1 3.44Å; Q129-I133 WeakPolarHBondContact O-CG1 3.27Å; Q129-I133 PolarHBondContact O-N 2.7Å; L130-I133 PolarHBondContact O-N 2.69Å; I133-T136 PolarHBondContact O-N 2.88Å; I133-I226 HydrophobicContact CD1-CB 3.86Å; I133-I226 HydrophobicContact CD1-CG2 3.73Å; I133-I226 HydrophobicContact CG1-CG2 3.99Å; I133-I226 HydrophobicContact CG2-CG2 4.04Å; I133-I230 HydrophobicContact CB-CD1 4.32Å; I133-I230 HydrophobicContact CG1-CD1 3.94Å; I133-I230 HydrophobicContact CG2-CD1 4.13Å; I133-T425 HydrophobicContact CG2-CG2 3.71Å; I133-T425 WeakPolarHBondContact O-CG2 3.37Å; I133-I426 HydrophobicContact CG2-CD1 4.24Å |
| 134 | I | 90 | Very high | 86.4 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -44.1 | 179.6 | -69.8 | 166.8 | 0 | 0 | 0 | 111 | W89 L130 R131 D132 T136 V137 V139 I147 V421 T425 | W89-I134 HydrophobicContact CH2-CD1 4.43Å; L130-I134 WeakPolarHBondContact O-CB 3.44Å; L130-I134 WeakPolarHBondContact O-CD1 3.34Å; L130-I134 WeakPolarHBondContact O-CG1 3.35Å; L130-I134 PolarHBondContact O-N 3.22Å; R131-I134 PolarHBondContact O-N 3.14Å; D132-I134 PolarHBondContact O-N 3.03Å; I134-T136 VanDerWaalsContact C-N 3.3Å; I134-T136 PolarHBondContact O-N 3.5Å; I134-V137 PolarHBondContact O-N 2.75Å; I134-V139 HydrophobicContact CG2-CB 4.11Å; I134-V139 HydrophobicContact CG2-CG1 4.36Å; I134-V139 HydrophobicContact CG2-CG2 3.87Å; I134-V139 WeakPolarHBondContact O-CG2 3.49Å; I134-I147 HydrophobicContact CG2-CD1 4.49Å; I134-I147 HydrophobicContact CG2-CG1 4.47Å; I134-V421 HydrophobicContact CG2-CG1 4.04Å; I134-T425 HydrophobicContact CG1-CG2 4.28Å |
| 135 | S | 85.7 | Confident | 85.8 | Confident | 43 Ų | 43 | 35 Ų | 35 | 30% | 0.301 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.2 | -41 | 179.6 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | R131 D132 V137 G138 I147 | R131-S135 WeakPolarHBondContact O-CB 3.32Å; R131-S135 PolarHBondContact O-N 2.85Å; R131-S135 PolarHBondContact O-OG 3.02Å; D132-S135 PolarHBondContact O-N 2.72Å; S135-V137 VanDerWaalsContact C-N 3.31Å; S135-V137 PolarHBondContact O-N 3.29Å; S135-G138 PolarHBondContact O-N 3.09Å; S135-I147 WeakPolarHBondContact OG-CG2 3.45Å |
| 136 | T | 81.7 | Confident | 85.4 | Confident | 44 Ų | 44 | 33.7 Ų | 33.7 | 27% | 0.27 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.2 | -31.2 | -173.1 | -54 | 0 | 0 | 0 | 0 | 112.9 | D132 I133 I134 G138 I230 F443 | D132-T136 WeakPolarHBondContact O-CB 3.4Å; D132-T136 PolarHBondContact O-N 2.69Å; D132-T136 PolarHBondContact O-OG1 3.31Å; I133-T136 PolarHBondContact O-N 2.88Å; I134-T136 VanDerWaalsContact C-N 3.3Å; I134-T136 PolarHBondContact O-N 3.5Å; T136-G138 VanDerWaalsContact C-N 3.3Å; T136-G138 PolarHBondContact O-N 2.95Å; T136-I230 HydrophobicContact CG2-CG2 4.18Å; T136-F443 HydrophobicContact CG2-CB 4.46Å; T136-F443 HydrophobicContact CG2-CD2 3.22Å; T136-F443 HydrophobicContact CG2-CE2 3.42Å; T136-F443 VanDerWaalsContact CG2-CE2 3.42Å; T136-F443 HydrophobicContact CG2-CG 3.87Å; T136-F443 HydrophobicContact CG2-CZ 4.22Å |
| 137 | V | 76.3 | Confident | 84.7 | Confident | 26 Ų | 26 | 34.7 Ų | 34.7 | 16% | 0.158 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -10.7 | -178 | 170.2 | 0 | 0 | 0 | 0 | 113.3 | I134 S135 T425 Y428 F443 | I134-V137 PolarHBondContact O-N 2.75Å; S135-V137 VanDerWaalsContact C-N 3.31Å; S135-V137 PolarHBondContact O-N 3.29Å; V137-T425 HydrophobicContact CB-CG2 3.98Å; V137-T425 HydrophobicContact CG2-CG2 3.62Å; V137-Y428 HydrophobicContact CB-CD1 4.33Å; V137-Y428 HydrophobicContact CG1-CD1 3.59Å; V137-Y428 HydrophobicContact CG1-CG 4.12Å; V137-Y428 HydrophobicContact CG2-CD1 4.17Å; V137-F443 HydrophobicContact CG2-CD1 4.02Å; V137-F443 HydrophobicContact CG2-CE1 3.67Å; V137-F443 HydrophobicContact CG2-CZ 4.41Å |
| 138 | G | 69.7 | Low | 84.3 | Confident | 44 Ų | 44 | 38 Ų | 38 | 45% | 0.454 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 54.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | S135 T136 | S135-G138 PolarHBondContact O-N 3.09Å; T136-G138 VanDerWaalsContact C-N 3.3Å; T136-G138 PolarHBondContact O-N 2.95Å |
| 139 | V | 77.8 | Confident | 84.1 | Confident | 17 Ų | 17 | 35 Ų | 35 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | trans | -78.4 | 142.2 | 172.2 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | I134 D141 D144 H145 I147 V421 | I134-V139 HydrophobicContact CG2-CB 4.11Å; I134-V139 HydrophobicContact CG2-CG1 4.36Å; I134-V139 HydrophobicContact CG2-CG2 3.87Å; I134-V139 WeakPolarHBondContact O-CG2 3.49Å; V139-D141 PolarHBondContact O-N 2.87Å; V139-D144 HydrophobicContact CG1-CB 3.2Å; V139-H145 HydrophobicContact CG1-CB 4.1Å; V139-I147 HydrophobicContact CB-CD1 4.23Å; V139-V421 HydrophobicContact CG1-CG1 4.03Å; V139-V421 HydrophobicContact CG2-CG1 4.09Å | ||
| 140 | F | 83.1 | Confident | 83.8 | Confident | 71 Ų | 71 | 35.2 Ų | 35.2 | 31% | 0.311 | 19% | 0.191 | S | C | . | . | trans | -79.6 | 115.2 | -179.6 | -71.4 | -91.5 | 0 | 0 | 0 | 110.2 | E143 D144 L502 R506 | F140-E143 HydrophobicContact CB-CB 4.16Å; F140-E143 PolarHBondContact O-N 3.24Å; F140-D144 PolarHBondContact N-OD2 3.04Å; F140-D144 WeakPolarHBondContact O-CB 3.49Å; F140-D144 PolarHBondContact O-N 3.24Å; F140-L502 HydrophobicContact CD2-CD2 4.49Å; F140-L502 HydrophobicContact CE2-CD1 4.25Å; F140-L502 HydrophobicContact CE2-CD2 3.9Å; F140-R506 HydrophobicContact CD2-CB 4.36Å; F140-R506 HydrophobicContact CD2-CG 3.77Å; F140-R506 HydrophobicContact CE2-CB 4.04Å; F140-R506 HydrophobicContact CE2-CG 3.81Å; F140-R506 HydrophobicContact CG-CG 4.32Å; F140-R506 HydrophobicContact CZ-CG 4.38Å | ||
| 141 | D | 78.3 | Confident | 83.5 | Confident | 67 Ų | 67 | 37.8 Ų | 37.8 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -57.4 | 146.2 | 177.1 | -161.1 | 15.5 | 0 | 0 | 0 | 110.9 | V139 E143 I147 | V139-D141 PolarHBondContact O-N 2.87Å; D141-E143 PolarHBondContact O-N 2.81Å; D141-I147 PolarHBondContact OD1-N 3.26Å |
| 142 | E | 75.6 | Confident | 83.6 | Confident | 118 Ų | 118 | 36.5 Ų | 36.5 | 55% | 0.551 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -17.7 | -176.3 | -53.9 | 179.2 | 179.1 | 0 | 0 | 116.8 | F335 | E142-F335 HydrophobicContact CG-CE2 4.4Å; E142-F335 WeakPolarHBondContact OE1-CE2 3.31Å; E142-F335 WeakPolarHBondContact OE1-CZ 3.27Å |
| 143 | E | 82.1 | Confident | 83.7 | Confident | 84 Ų | 84 | 36.2 Ų | 36.2 | 39% | 0.393 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -50.9 | 177.5 | -179.1 | -178.7 | 151.9 | 0 | 0 | 112.2 | F140 D141 N503 R506 | F140-E143 HydrophobicContact CB-CB 4.16Å; F140-E143 PolarHBondContact O-N 3.24Å; D141-E143 PolarHBondContact O-N 2.81Å; E143-N503 PolarHBondContact OE1-ND2 3.38Å; E143-N503 PolarHBondContact OE1-OD1 3.19Å; E143-R506 WeakPolarHBondContact OE1-CG 3.48Å; E143-R506 IonicContact OE1-NE 2.88Å; E143-R506 PolarHBondContact OE1-NE 3.3Å; E143-R506 IonicContact OE2-CZ 2.83Å; E143-R506 IonicContact OE2-NE 3.39Å; E143-R506 PolarHBondContact OE2-NE 2.66Å; E143-R506 IonicContact OE2-NH2 2.69Å; E143-R506 PolarHBondContact OE2-NH2 3.36Å |
| 144 | D | 81.1 | Confident | 83.7 | Confident | 16 Ų | 16 | 36.5 Ų | 36.5 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -45.4 | -179.5 | -78.9 | -48.2 | 0 | 0 | 0 | 111.2 | V139 F140 V421 R424 N503 | V139-D144 HydrophobicContact CG1-CB 3.2Å; F140-D144 PolarHBondContact N-OD2 3.04Å; F140-D144 WeakPolarHBondContact O-CB 3.49Å; F140-D144 PolarHBondContact O-N 3.24Å; D144-V421 HydrophobicContact CB-CG2 4.29Å; D144-V421 VanDerWaalsContact O-CG2 3.22Å; D144-V421 WeakPolarHBondContact O-CG2 3.44Å; D144-R424 IonicContact OD1-CZ 3.75Å; D144-R424 IonicContact OD1-NH1 3.75Å; D144-R424 IonicContact OD1-NH2 2.89Å; D144-R424 PolarHBondContact OD1-NH2 2.88Å; D144-R424 IonicContact OD2-NH1 3.22Å; D144-N503 VanDerWaalsContact OD1-CB 3.3Å; D144-N503 WeakPolarHBondContact OD1-CB 3.49Å; D144-N503 PolarHBondContact OD1-ND2 2.93Å |
| 145 | H | 84.5 | Confident | 83.6 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -164.9 | 139.3 | -173.5 | -172.3 | 62.1 | 0 | 0 | 0 | 110.3 | W89 V139 I147 V421 | W89-H145 AromaticContact CD1-CE1 3.67Å; W89-H145 AromaticContact CD2-CE1 3.89Å; W89-H145 AromaticContact CE2-CE1 3.54Å; W89-H145 AromaticContact CE2-NE2 3.32Å; W89-H145 VanDerWaalsContact CE2-NE2 3.32Å; W89-H145 AromaticContact CZ2-NE2 3.43Å; W89-H145 WeakPolarHBondContact CZ2-NE2 3.12Å; W89-H145 AromaticContact NE1-CE1 3.32Å; W89-H145 PolarHBondContact NE1-CE1 2.86Å; W89-H145 VanDerWaalsContact NE1-CE1 3.32Å; W89-H145 AromaticContact NE1-NE2 3.28Å; W89-H145 PolarHBondContact NE1-NE2 3.27Å; W89-H145 PolarHBondContact O-CE1 3.11Å; W89-H145 PolarHBondContact O-ND1 3.42Å; W89-H145 VanDerWaalsContact O-ND1 3.15Å; V139-H145 HydrophobicContact CG1-CB 4.1Å; H145-I147 PolarHBondContact O-N 3.1Å; H145-V421 HydrophobicContact CB-CG1 4.2Å; H145-V421 HydrophobicContact CB-CG2 4.32Å |
| 146 | D | 85.1 | Confident | 83.6 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -80 | 108.2 | 170 | -177.2 | -3.7 | 0 | 0 | 0 | 109.9 | S94 L148 H150 | S94-D146 WeakPolarHBondContact CA-OD2 3.29Å; S94-D146 WeakPolarHBondContact CB-OD2 3.36Å; D146-L148 WeakPolarHBondContact OD1-CB 3.34Å; D146-L148 PolarHBondContact OD1-N 3.48Å; D146-H150 IonicContact OD1-NE2 2.73Å; D146-H150 PolarHBondContact OD1-NE2 2.91Å; D146-H150 IonicContact OD2-CD2 3.46Å; D146-H150 IonicContact OD2-CE1 3.2Å; D146-H150 IonicContact OD2-NE2 2.87Å; D146-H150 PolarHBondContact OD2-NE2 2.93Å | ||
| 147 | I | 81.7 | Confident | 83.7 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | trans | -90.6 | -12.2 | -177.7 | -56.5 | 168 | 0 | 0 | 0 | 110.4 | R131 I134 S135 V139 D141 H145 | R131-I147 HydrophobicContact CG-CG2 4.06Å; R131-I147 VanDerWaalsContact CZ-O 3.29Å; R131-I147 PolarHBondContact NE-O 3.43Å; R131-I147 PolarHBondContact NH2-O 3.45Å; I134-I147 HydrophobicContact CG2-CD1 4.49Å; I134-I147 HydrophobicContact CG2-CG1 4.47Å; S135-I147 WeakPolarHBondContact OG-CG2 3.45Å; V139-I147 HydrophobicContact CB-CD1 4.23Å; D141-I147 PolarHBondContact OD1-N 3.26Å; H145-I147 PolarHBondContact O-N 3.1Å | ||
| 148 | L | 86.2 | Confident | 84.2 | Confident | 73 Ų | 73 | 41.9 Ų | 41.9 | 38% | 0.382 | 24% | 0.235 | S | C | . | . | trans | -71.5 | 141 | -176.8 | -60.6 | 173.9 | 0 | 0 | 0 | 110.9 | D146 | D146-L148 WeakPolarHBondContact OD1-CB 3.34Å; D146-L148 PolarHBondContact OD1-N 3.48Å | ||
| 149 | T | 89 | Confident | 84.9 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | trans | -77.7 | -25.4 | 176 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | G151 M152 I154 E243 | T149-G151 PolarHBondContact O-N 3.41Å; T149-G151 VanDerWaalsContact O-N 3.16Å; T149-M152 WeakPolarHBondContact O-CB 3.49Å; T149-M152 WeakPolarHBondContact O-CG 3.4Å; T149-M152 PolarHBondContact O-N 2.79Å; T149-I154 HydrophobicContact CG2-CG2 3.84Å; T149-E243 PolarHBondContact OG1-OE1 3.35Å | ||
| 150 | H | 88.2 | Confident | 85.3 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 13% | 0.13 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 35.7 | -170.9 | -56 | -64.6 | 0 | 0 | 0 | 112.5 | A96 D146 M152 S331 | A96-H150 HydrophobicContact CB-CB 4.26Å; D146-H150 IonicContact OD1-NE2 2.73Å; D146-H150 PolarHBondContact OD1-NE2 2.91Å; D146-H150 IonicContact OD2-CD2 3.46Å; D146-H150 IonicContact OD2-CE1 3.2Å; D146-H150 IonicContact OD2-NE2 2.87Å; D146-H150 PolarHBondContact OD2-NE2 2.93Å; H150-M152 VanDerWaalsContact C-N 3.3Å; H150-M152 VanDerWaalsContact O-CE 3.29Å; H150-M152 WeakPolarHBondContact O-CE 3.42Å; H150-M152 PolarHBondContact O-N 3.33Å; H150-S331 WeakPolarHBondContact O-CB 3.45Å |
| 151 | G | 87.1 | Confident | 85.4 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 56% | 0.557 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 11.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T149 | T149-G151 PolarHBondContact O-N 3.41Å; T149-G151 VanDerWaalsContact O-N 3.16Å |
| 152 | M | 92.6 | Very high | 85.5 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | trans | -71.4 | 135.5 | 177 | -62.5 | -57.6 | 100.4 | 0 | 0 | 111.3 | A96 F100 H106 T149 H150 I154 N328 | A96-M152 HydrophobicContact CB-CE 4.44Å; A96-M152 HydrophobicContact CB-CG 4.05Å; A96-M152 HydrophobicContact CB-SD 4.2Å; F100-M152 HydrophobicContact CB-CG 3.91Å; F100-M152 HydrophobicContact CB-SD 3.48Å; F100-M152 WeakPolarHBondContact CB-SD 3.29Å; F100-M152 HydrophobicContact CD1-CB 3.92Å; F100-M152 HydrophobicContact CD1-CG 4.2Å; F100-M152 HydrophobicContact CD1-SD 3.96Å; F100-M152 HydrophobicContact CD2-CB 3.62Å; F100-M152 HydrophobicContact CD2-CG 3.77Å; F100-M152 HydrophobicContact CD2-SD 4.39Å; F100-M152 HydrophobicContact CE1-CB 3.96Å; F100-M152 HydrophobicContact CE2-CB 3.64Å; F100-M152 HydrophobicContact CE2-CG 4.31Å; F100-M152 HydrophobicContact CG-CB 3.74Å; F100-M152 HydrophobicContact CG-CG 3.69Å; F100-M152 HydrophobicContact CG-SD 3.7Å; F100-M152 HydrophobicContact CZ-CB 3.81Å; H106-M152 VanDerWaalsContact CE1-SD 3.52Å; T149-M152 WeakPolarHBondContact O-CB 3.49Å; T149-M152 WeakPolarHBondContact O-CG 3.4Å; T149-M152 PolarHBondContact O-N 2.79Å; H150-M152 VanDerWaalsContact C-N 3.3Å; H150-M152 VanDerWaalsContact O-CE 3.29Å; H150-M152 WeakPolarHBondContact O-CE 3.42Å; H150-M152 PolarHBondContact O-N 3.33Å; M152-I154 VanDerWaalsContact C-N 3.3Å; M152-I154 PolarHBondContact O-N 3.03Å; M152-N328 HydrophobicContact CE-CB 4.1Å; M152-N328 HydrophobicContact SD-CB 4.28Å; M152-N328 VanDerWaalsContact SD-CG 3.58Å | ||
| 153 | P | 91.7 | Very high | 85.9 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | trans | -77 | 74.8 | -171.9 | 31 | -36.2 | 0 | 0 | 0 | 112.6 | F100 E156 | F100-P153 VanDerWaalsContact CE1-CD 3.48Å; F100-P153 HydrophobicContact CE1-CG 3.82Å; P153-E156 WeakPolarHBondContact CB-O 3.04Å | ||
| 154 | I | 91.1 | Very high | 85.6 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -93.9 | -26.7 | -178.7 | -160.8 | 168.1 | 0 | 0 | 0 | 113.5 | L95 F100 R124 V127 Y128 T149 M152 | L95-I154 HydrophobicContact CD1-CD1 3.8Å; L95-I154 HydrophobicContact CD2-CD1 4.41Å; F100-I154 HydrophobicContact CZ-CB 4.37Å; R124-I154 HydrophobicContact CG-CG1 4.39Å; R124-I154 PolarHBondContact NH1-O 3.24Å; V127-I154 HydrophobicContact CB-CD1 3.82Å; V127-I154 HydrophobicContact CG1-CD1 3.32Å; Y128-I154 HydrophobicContact CD2-CG2 4.19Å; T149-I154 HydrophobicContact CG2-CG2 3.84Å; M152-I154 VanDerWaalsContact C-N 3.3Å; M152-I154 PolarHBondContact O-N 3.03Å | ||
| 155 | H | 86.5 | Confident | 84.9 | Confident | 90 Ų | 90 | 47.6 Ų | 47.6 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -76 | -47.1 | 179.4 | 178.2 | -92.5 | 0 | 0 | 0 | 111.7 | R124 Y128 | R124-H155 PolarHBondContact NH1-O 2.73Å; Y128-H155 HydrophobicContact CE2-CB 4.33Å; Y128-H155 AromaticContact CE2-CD2 3.86Å; Y128-H155 AromaticContact CZ-CD2 3.71Å; Y128-H155 PolarHBondContact OH-CD2 3.19Å |
| 156 | E | 85.8 | Confident | 83.9 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -147.5 | 159.5 | 178.2 | 63 | -172.9 | 176.6 | 0 | 0 | 110.5 | P153 H159 | P153-E156 WeakPolarHBondContact CB-O 3.04Å; E156-H159 IonicContact OE1-NE2 3.93Å |
| 157 | P | 84.7 | Confident | 82.7 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.071 | 32% | 0.317 | C | S | . | . | trans | -58.5 | 139.1 | 174.8 | -20.3 | 31.7 | 0 | 0 | 0 | 111.3 | Q109 H159 H173 | Q109-P157 HydrophobicContact CB-CB 4.11Å; Q109-P157 HydrophobicContact CG-CB 4.42Å; P157-H159 PolarHBondContact O-N 3.16Å; P157-H173 HydrophobicContact CG-CB 3.67Å | ||
| 158 | S | 86.6 | Confident | 81.6 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | trans | -68.3 | 119.7 | -176.2 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | Q109 M160 F161 | Q109-S158 PolarHBondContact NE2-O 3.05Å; S158-M160 PolarHBondContact O-N 3.45Å; S158-M160 VanDerWaalsContact O-N 3.07Å; S158-M160 WeakPolarHBondContact OG-CB 3.48Å; S158-M160 PolarHBondContact OG-N 3.12Å; S158-F161 PolarHBondContact O-N 3.19Å | ||
| 159 | H | 83.7 | Confident | 80.5 | Confident | 119 Ų | 119 | 60 Ų | 60 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -60.1 | -16.3 | 174.3 | -70 | -65.7 | 0 | 0 | 0 | 114.1 | E156 P157 F161 D162 | E156-H159 IonicContact OE1-NE2 3.93Å; P157-H159 PolarHBondContact O-N 3.16Å; H159-F161 PolarHBondContact O-N 3.19Å; H159-D162 IonicContact CG-OD2 3.87Å; H159-D162 IonicContact ND1-OD2 2.69Å; H159-D162 PolarHBondContact ND1-OD2 3.02Å; H159-D162 VanDerWaalsContact ND1-OD2 3.16Å; H159-D162 WeakPolarHBondContact O-CB 3.4Å; H159-D162 VanDerWaalsContact O-CG 3.23Å; H159-D162 PolarHBondContact O-N 3.26Å |
| 160 | M | 86 | Confident | 78.9 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 59% | 0.586 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -59.7 | -30.5 | 178.3 | 179.8 | 175.4 | 147.5 | 0 | 0 | 112.7 | C56 S158 | C56-M160 WeakPolarHBondContact SG-CE 3.45Å; S158-M160 PolarHBondContact O-N 3.45Å; S158-M160 VanDerWaalsContact O-N 3.07Å; S158-M160 WeakPolarHBondContact OG-CB 3.48Å; S158-M160 PolarHBondContact OG-N 3.12Å |
| 161 | F | 85.4 | Confident | 77.9 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 4% | 0.044 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -91.4 | -1.4 | -175 | -54.7 | -65.7 | 0 | 0 | 0 | 113.9 | V55 L59 H106 C107 L110 S158 H159 V163 Y164 | V55-F161 HydrophobicContact CB-CE1 3.79Å; V55-F161 HydrophobicContact CB-CZ 3.99Å; V55-F161 HydrophobicContact CG1-CD1 4.09Å; V55-F161 HydrophobicContact CG1-CE1 3.56Å; V55-F161 HydrophobicContact CG1-CZ 3.84Å; V55-F161 HydrophobicContact CG2-CZ 4.4Å; L59-F161 HydrophobicContact CD1-CD1 3.97Å; H106-F161 HydrophobicContact CB-CE2 3.87Å; H106-F161 HydrophobicContact CB-CZ 4.21Å; H106-F161 WeakPolarHBondContact O-CD2 3.21Å; H106-F161 VanDerWaalsContact O-CE2 3.31Å; H106-F161 WeakPolarHBondContact O-CE2 3.03Å; C107-F161 HydrophobicContact CB-CB 4.23Å; C107-F161 HydrophobicContact CB-CD2 3.96Å; C107-F161 HydrophobicContact CB-CG 4.07Å; L110-F161 HydrophobicContact CD1-CB 3.9Å; S158-F161 PolarHBondContact O-N 3.19Å; H159-F161 PolarHBondContact O-N 3.19Å; F161-V163 PolarHBondContact O-N 3.12Å; F161-Y164 HydrophobicContact CB-CD2 4.45Å; F161-Y164 HydrophobicContact CD1-CD2 4.43Å; F161-Y164 HydrophobicContact CD1-CE2 4.4Å; F161-Y164 PolarHBondContact O-N 3.13Å; F161-Y164 VanDerWaalsContact O-N 3.11Å |
| 162 | D | 81.5 | Confident | 77.7 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.8 | -176.6 | -76.6 | 1.3 | 0 | 0 | 0 | 114.6 | Q109 H159 R168 | Q109-D162 PolarHBondContact NE2-OD1 2.8Å; Q109-D162 VanDerWaalsContact NE2-OD1 3.07Å; H159-D162 IonicContact CG-OD2 3.87Å; H159-D162 IonicContact ND1-OD2 2.69Å; H159-D162 PolarHBondContact ND1-OD2 3.02Å; H159-D162 VanDerWaalsContact ND1-OD2 3.16Å; H159-D162 WeakPolarHBondContact O-CB 3.4Å; H159-D162 VanDerWaalsContact O-CG 3.23Å; H159-D162 PolarHBondContact O-N 3.26Å; D162-R168 IonicContact OD1-CZ 3.27Å; D162-R168 IonicContact OD1-NH1 2.86Å; D162-R168 PolarHBondContact OD1-NH1 3.41Å; D162-R168 IonicContact OD1-NH2 2.86Å; D162-R168 IonicContact OD2-CZ 2.84Å; D162-R168 IonicContact OD2-NH1 3.8Å; D162-R168 PolarHBondContact OD2-NH1 3.31Å; D162-R168 IonicContact OD2-NH2 2.84Å; D162-R168 PolarHBondContact OD2-NH2 3.46Å |
| 163 | V | 83.5 | Confident | 77.2 | Confident | 131 Ų | 131 | 67.7 Ų | 67.7 | 79% | 0.794 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -19 | -178.9 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | F161 | F161-V163 PolarHBondContact O-N 3.12Š|
| 164 | Y | 76.5 | Confident | 76.9 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 38% | 0.384 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -88.2 | -6.7 | -168.3 | -67.4 | -83.5 | 0 | 0 | 0 | 114.9 | C56 L59 S60 F161 | C56-Y164 WeakPolarHBondContact CB-OH 3.24Å; C56-Y164 PolarHBondContact SG-OH 3.1Å; C56-Y164 VanDerWaalsContact SG-OH 3.37Å; L59-Y164 HydrophobicContact CB-CD1 4.18Å; L59-Y164 HydrophobicContact CB-CG 4.38Å; L59-Y164 HydrophobicContact CD1-CD2 4.17Å; L59-Y164 HydrophobicContact CD1-CG 4.12Å; S60-Y164 WeakPolarHBondContact OG-CE1 3.5Å; F161-Y164 HydrophobicContact CB-CD2 4.45Å; F161-Y164 HydrophobicContact CD1-CD2 4.43Å; F161-Y164 HydrophobicContact CD1-CE2 4.4Å; F161-Y164 PolarHBondContact O-N 3.13Å; F161-Y164 VanDerWaalsContact O-N 3.11Å |
| 165 | D | 66 | Low | 76.8 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 16% | 0.16 | 38% | 0.381 | C | S | . | . | trans | -152.7 | 144.3 | 172.9 | -153.8 | -15 | 0 | 0 | 0 | 112.9 | L110 R112 F167 | L110-D165 HydrophobicContact CD2-CB 4.03Å; R112-D165 IonicContact CZ-OD2 3.44Å; R112-D165 IonicContact NE-OD2 3.33Å; R112-D165 PolarHBondContact NE-OD2 3.28Å; R112-D165 IonicContact NH2-OD1 3.75Å; R112-D165 IonicContact NH2-OD2 2.71Å; R112-D165 PolarHBondContact NH2-OD2 2.79Å; D165-F167 VanDerWaalsContact C-N 3.32Å; D165-F167 PolarHBondContact OD1-N 2.96Å | ||
| 166 | S | 62.5 | Low | 77 | Confident | 125 Ų | 125 | 73.5 Ų | 73.5 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -76.5 | -23.5 | 167.8 | 64.4 | 0 | 0 | 0 | 0 | 112 | ||
| 167 | F | 60.6 | Low | 77.2 | Confident | 109 Ų | 109 | 70.2 Ų | 70.2 | 48% | 0.478 | 37% | 0.366 | S | S | . | . | trans | -91.1 | 108.6 | 174.5 | -175.8 | -93.9 | 0 | 0 | 0 | 109.8 | R112 D165 | R112-F167 HydrophobicContact CG-CD1 4.04Å; R112-F167 HydrophobicContact CG-CE1 4.12Å; D165-F167 VanDerWaalsContact C-N 3.32Å; D165-F167 PolarHBondContact OD1-N 2.96Å | ||
| 168 | R | 59.1 | Low | 77.5 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 32% | 0.321 | 40% | 0.399 | S | S | . | . | trans | -100.6 | 141.3 | 166.4 | -71.3 | -174.8 | -168.1 | -138.1 | 14 | 109.6 | D162 E170 | D162-R168 IonicContact OD1-CZ 3.27Å; D162-R168 IonicContact OD1-NH1 2.86Å; D162-R168 PolarHBondContact OD1-NH1 3.41Å; D162-R168 IonicContact OD1-NH2 2.86Å; D162-R168 IonicContact OD2-CZ 2.84Å; D162-R168 IonicContact OD2-NH1 3.8Å; D162-R168 PolarHBondContact OD2-NH1 3.31Å; D162-R168 IonicContact OD2-NH2 2.84Å; D162-R168 PolarHBondContact OD2-NH2 3.46Å; R168-E170 HydrophobicContact CB-CB 3.95Å; R168-E170 HydrophobicContact CB-CG 3.71Å; R168-E170 PolarHBondContact O-N 3.16Å | ||
| 169 | N | 62.2 | Low | 77.8 | Confident | 41 Ų | 41 | 79.9 Ų | 79.9 | 22% | 0.219 | 41% | 0.41 | C | S | . | . | trans | -73.7 | 70.1 | 162.5 | -139.1 | -22.1 | 0 | 0 | 0 | 108.1 | Q109 I111 A117 C171 | Q109-N169 PolarHBondContact O-N 3.06Å; I111-N169 PolarHBondContact O-ND2 3.38Å; A117-N169 WeakPolarHBondContact CB-ND2 3.47Å; N169-C171 PolarHBondContact O-N 3.32Å | ||
| 170 | E | 55 | Low | 78.2 | Confident | 111 Ų | 111 | 74.2 Ų | 74.2 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -0.4 | -149.6 | -137.3 | 168 | -138 | 0 | 0 | 115.3 | R168 | R168-E170 HydrophobicContact CB-CB 3.95Å; R168-E170 HydrophobicContact CB-CG 3.71Å; R168-E170 PolarHBondContact O-N 3.16Å |
| 171 | C | 67.8 | Low | 78.5 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 55% | 0.547 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -27 | -171 | -65.7 | 0 | 0 | 0 | 0 | 115.6 | N169 H173 K174 L175 | N169-C171 PolarHBondContact O-N 3.32Å; C171-H173 PolarHBondContact O-N 3.29Å; C171-K174 WeakPolarHBondContact O-CA 3.33Å; C171-K174 WeakPolarHBondContact O-CB 3.4Å; C171-K174 PolarHBondContact O-N 3.41Å; C171-L175 WeakPolarHBondContact O-CG 3.47Å; C171-L175 PolarHBondContact O-N 2.98Å; C171-L175 VanDerWaalsContact O-N 3.09Å |
| 172 | L | 83.7 | Confident | 78.9 | Confident | 15 Ų | 15 | 71.7 Ų | 71.7 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -60.7 | -44 | -168.1 | -69.5 | 178.9 | 0 | 0 | 0 | 113.1 | A117 E121 R125 K174 L175 L180 H183 | A117-L172 HydrophobicContact CB-CD1 3.93Å; E121-L172 HydrophobicContact CG-CB 4.22Å; R125-L172 PolarHBondContact NH2-O 3.16Å; L172-K174 PolarHBondContact O-N 3.35Å; L172-L175 HydrophobicContact CD2-CD1 3.9Å; L172-L175 PolarHBondContact O-N 2.88Å; L172-L180 HydrophobicContact CD2-CD1 4.01Å; L172-H183 VanDerWaalsContact CD2-CD2 3.44Å; L172-H183 WeakPolarHBondContact CD2-CD2 3.44Å |
| 173 | H | 81.7 | Confident | 79.5 | Confident | 63 Ų | 63 | 73.2 Ų | 73.2 | 29% | 0.292 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -68.7 | -16.2 | 177.9 | 70 | -81.4 | 0 | 0 | 0 | 113.9 | E121 R125 P157 C171 | E121-H173 WeakPolarHBondContact OE1-CA 3.48Å; R125-H173 PolarHBondContact NH2-O 2.8Å; P157-H173 HydrophobicContact CG-CB 3.67Å; C171-H173 PolarHBondContact O-N 3.29Å |
| 174 | K | 85.5 | Confident | 80 | Confident | 145 Ų | 145 | 67 Ų | 67 | 63% | 0.63 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -93.4 | -18.1 | 176.8 | -61.9 | 177.8 | -178.4 | 162.2 | 0 | 113.1 | C171 L172 | C171-K174 WeakPolarHBondContact O-CA 3.33Å; C171-K174 WeakPolarHBondContact O-CB 3.4Å; C171-K174 PolarHBondContact O-N 3.41Å; L172-K174 PolarHBondContact O-N 3.35Å |
| 175 | L | 88.3 | Confident | 80.8 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -61.7 | 139.9 | 177.5 | -64 | -174.2 | 0 | 0 | 0 | 110.1 | R125 C171 L172 E179 L180 H183 | R125-L175 VanDerWaalsContact CZ-O 3.24Å; R125-L175 PolarHBondContact NH1-O 3.38Å; R125-L175 PolarHBondContact NH2-O 3.44Å; C171-L175 WeakPolarHBondContact O-CG 3.47Å; C171-L175 PolarHBondContact O-N 2.98Å; C171-L175 VanDerWaalsContact O-N 3.09Å; L172-L175 HydrophobicContact CD2-CD1 3.9Å; L172-L175 PolarHBondContact O-N 2.88Å; L175-E179 HydrophobicContact CB-CB 3.91Å; L175-E179 HydrophobicContact CD1-CB 4.43Å; L175-E179 HydrophobicContact CD2-CB 4.02Å; L175-E179 HydrophobicContact CG-CB 4.32Å; L175-L180 HydrophobicContact CB-CB 4.13Å; L175-L180 HydrophobicContact CD1-CB 4.42Å; L175-L180 HydrophobicContact CD1-CD1 4.28Å; L175-H183 HydrophobicContact CD1-CB 4.22Å |
| 176 | S | 90 | Very high | 82.1 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | trans | -61.6 | 164.8 | 164.1 | 64 | 0 | 0 | 0 | 0 | 111 | L178 E179 L180 | S176-L178 PolarHBondContact O-N 2.63Å; S176-E179 WeakPolarHBondContact CB-OE2 3.46Å; S176-E179 PolarHBondContact N-OE2 3.38Å; S176-E179 PolarHBondContact O-N 2.93Å; S176-E179 WeakPolarHBondContact OG-CB 3.45Å; S176-E179 VanDerWaalsContact OG-CD 3.27Å; S176-E179 VanDerWaalsContact OG-CG 3.24Å; S176-E179 WeakPolarHBondContact OG-CG 3.46Å; S176-E179 PolarHBondContact OG-N 2.82Å; S176-E179 PolarHBondContact OG-OE2 3.15Å; S176-L180 WeakPolarHBondContact O-CB 3.47Å; S176-L180 PolarHBondContact O-N 2.99Å | ||
| 177 | V | 90.6 | Very high | 83.5 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 17% | 0.17 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.5 | -38.3 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | T181 L220 L221 N224 | V177-T181 WeakPolarHBondContact O-CB 3.32Å; V177-T181 PolarHBondContact O-N 2.95Å; V177-T181 PolarHBondContact O-OG1 2.71Å; V177-L220 HydrophobicContact CG1-CD2 4.19Å; V177-L220 HydrophobicContact CG1-CG 4.18Å; V177-L221 HydrophobicContact CG1-CD2 4.16Å; V177-N224 HydrophobicContact CG1-CB 4.42Å |
| 178 | L | 91.1 | Very high | 84.9 | Confident | 145 Ų | 145 | 58.9 Ų | 58.9 | 76% | 0.759 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.4 | -46.7 | 179 | -158 | 93.7 | 0 | 0 | 0 | 111.8 | S176 T181 A182 | S176-L178 PolarHBondContact O-N 2.63Å; L178-T181 WeakPolarHBondContact O-CB 3.46Å; L178-T181 PolarHBondContact O-N 3.01Å; L178-A182 WeakPolarHBondContact O-CB 3.49Å; L178-A182 PolarHBondContact O-N 2.91Å |
| 179 | E | 92.7 | Very high | 86.2 | Confident | 101 Ų | 101 | 57.1 Ų | 57.1 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 179.4 | -70.9 | 164 | 140 | 0 | 0 | 112 | L175 S176 T181 A182 H183 | L175-E179 HydrophobicContact CB-CB 3.91Å; L175-E179 HydrophobicContact CD1-CB 4.43Å; L175-E179 HydrophobicContact CD2-CB 4.02Å; L175-E179 HydrophobicContact CG-CB 4.32Å; S176-E179 WeakPolarHBondContact CB-OE2 3.46Å; S176-E179 PolarHBondContact N-OE2 3.38Å; S176-E179 PolarHBondContact O-N 2.93Å; S176-E179 WeakPolarHBondContact OG-CB 3.45Å; S176-E179 VanDerWaalsContact OG-CD 3.27Å; S176-E179 VanDerWaalsContact OG-CG 3.24Å; S176-E179 WeakPolarHBondContact OG-CG 3.46Å; S176-E179 PolarHBondContact OG-N 2.82Å; S176-E179 PolarHBondContact OG-OE2 3.15Å; E179-T181 VanDerWaalsContact C-N 3.33Å; E179-T181 PolarHBondContact O-N 3.38Å; E179-A182 PolarHBondContact O-N 2.83Å; E179-H183 WeakPolarHBondContact O-CB 3.42Å; E179-H183 PolarHBondContact O-N 3.11Å |
| 180 | L | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 175.8 | -176.3 | 60.2 | 0 | 0 | 0 | 111 | E121 L122 L172 L175 S176 H183 V184 L220 | E121-L180 HydrophobicContact CG-CD2 4.13Å; L122-L180 HydrophobicContact CD2-CD2 3.69Å; L122-L180 HydrophobicContact CD2-CG 3.85Å; L122-L180 HydrophobicContact CG-CD2 4.25Å; L122-L180 HydrophobicContact CG-CG 4.43Å; L172-L180 HydrophobicContact CD2-CD1 4.01Å; L175-L180 HydrophobicContact CB-CB 4.13Å; L175-L180 HydrophobicContact CD1-CB 4.42Å; L175-L180 HydrophobicContact CD1-CD1 4.28Å; S176-L180 WeakPolarHBondContact O-CB 3.47Å; S176-L180 PolarHBondContact O-N 2.99Å; L180-H183 PolarHBondContact O-N 2.9Å; L180-V184 VanDerWaalsContact O-CG2 3.22Å; L180-V184 WeakPolarHBondContact O-CG2 3.49Å; L180-V184 PolarHBondContact O-N 3.36Å; L180-L220 HydrophobicContact CD2-CD2 4.07Å |
| 181 | T | 93.1 | Very high | 88.7 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 174.5 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | V177 L178 E179 V184 N185 Q217 L221 | V177-T181 WeakPolarHBondContact O-CB 3.32Å; V177-T181 PolarHBondContact O-N 2.95Å; V177-T181 PolarHBondContact O-OG1 2.71Å; L178-T181 WeakPolarHBondContact O-CB 3.46Å; L178-T181 PolarHBondContact O-N 3.01Å; E179-T181 VanDerWaalsContact C-N 3.33Å; E179-T181 PolarHBondContact O-N 3.38Å; T181-V184 PolarHBondContact O-N 3.28Å; T181-N185 VanDerWaalsContact O-CG 3.28Å; T181-N185 PolarHBondContact O-N 3.35Å; T181-N185 PolarHBondContact O-ND2 3.04Å; T181-Q217 HydrophobicContact CG2-CG 3.93Å; T181-Q217 VanDerWaalsContact CG2-NE2 3.27Å; T181-Q217 PolarHBondContact O-NE2 3.43Å; T181-L221 HydrophobicContact CG2-CD1 4.28Å; T181-L221 HydrophobicContact CG2-CD2 4.49Å |
| 182 | A | 93.8 | Very high | 88.9 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L178 E179 V184 N185 D186 | L178-A182 WeakPolarHBondContact O-CB 3.49Å; L178-A182 PolarHBondContact O-N 2.91Å; E179-A182 PolarHBondContact O-N 2.83Å; A182-V184 VanDerWaalsContact C-N 3.34Å; A182-V184 PolarHBondContact O-N 3.32Å; A182-N185 WeakPolarHBondContact O-CB 3.35Å; A182-N185 PolarHBondContact O-N 2.93Å; A182-D186 PolarHBondContact O-N 3.34Å |
| 183 | H | 93.4 | Very high | 88.3 | Confident | 61 Ų | 61 | 57.6 Ų | 57.6 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.4 | 179.4 | 67.1 | 0 | 0 | 0 | 112.1 | L172 L175 E179 L180 N185 D186 L187 | L172-H183 VanDerWaalsContact CD2-CD2 3.44Å; L172-H183 WeakPolarHBondContact CD2-CD2 3.44Å; L175-H183 HydrophobicContact CD1-CB 4.22Å; E179-H183 WeakPolarHBondContact O-CB 3.42Å; E179-H183 PolarHBondContact O-N 3.11Å; L180-H183 PolarHBondContact O-N 2.9Å; H183-N185 VanDerWaalsContact C-N 3.32Å; H183-N185 PolarHBondContact O-N 3.41Å; H183-D186 WeakPolarHBondContact O-CB 3.48Å; H183-D186 PolarHBondContact O-N 2.9Å; H183-L187 WeakPolarHBondContact O-CG 3.17Å; H183-L187 PolarHBondContact O-N 3.37Å |
| 184 | V | 94.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.1 | -34.3 | 177.8 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | A118 L122 L180 T181 A182 L187 N188 L213 Q217 | A118-V184 HydrophobicContact CB-CG2 4.19Å; L122-V184 HydrophobicContact CD1-CG1 4.38Å; L122-V184 HydrophobicContact CD1-CG2 3.72Å; L122-V184 HydrophobicContact CD2-CG2 4.45Å; L122-V184 HydrophobicContact CG-CG2 4.27Å; L180-V184 VanDerWaalsContact O-CG2 3.22Å; L180-V184 WeakPolarHBondContact O-CG2 3.49Å; L180-V184 PolarHBondContact O-N 3.36Å; T181-V184 PolarHBondContact O-N 3.28Å; A182-V184 VanDerWaalsContact C-N 3.34Å; A182-V184 PolarHBondContact O-N 3.32Å; V184-L187 PolarHBondContact O-N 2.89Å; V184-N188 WeakPolarHBondContact O-CB 3.43Å; V184-N188 PolarHBondContact O-N 3.21Å; V184-N188 PolarHBondContact O-ND2 2.6Å; V184-L213 HydrophobicContact CG1-CB 4.4Å; V184-Q217 HydrophobicContact CG1-CB 4.34Å; V184-Q217 HydrophobicContact CG1-CG 4.41Å |
| 185 | N | 93.9 | Very high | 86 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 173.5 | -70.1 | -24.4 | 0 | 0 | 0 | 111.9 | T181 A182 H183 N188 G189 Q217 | T181-N185 VanDerWaalsContact O-CG 3.28Å; T181-N185 PolarHBondContact O-N 3.35Å; T181-N185 PolarHBondContact O-ND2 3.04Å; A182-N185 WeakPolarHBondContact O-CB 3.35Å; A182-N185 PolarHBondContact O-N 2.93Å; H183-N185 VanDerWaalsContact C-N 3.32Å; H183-N185 PolarHBondContact O-N 3.41Å; N185-N188 PolarHBondContact O-N 3.01Å; N185-G189 PolarHBondContact O-N 2.65Å; N185-Q217 PolarHBondContact OD1-NE2 3.13Å |
| 186 | D | 92.7 | Very high | 84.7 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.4 | -179.4 | 66.1 | 0 | 0 | 0 | 111.5 | A182 H183 N188 G189 N190 | A182-D186 PolarHBondContact O-N 3.34Å; H183-D186 WeakPolarHBondContact O-CB 3.48Å; H183-D186 PolarHBondContact O-N 2.9Å; D186-N188 VanDerWaalsContact C-N 3.3Å; D186-N188 PolarHBondContact O-N 2.69Å; D186-G189 PolarHBondContact O-N 3.26Å; D186-G189 VanDerWaalsContact O-N 3.12Å; D186-N190 VanDerWaalsContact CG-ND2 3.35Å; D186-N190 PolarHBondContact O-N 3.12Å; D186-N190 PolarHBondContact O-ND2 3.45Å; D186-N190 VanDerWaalsContact O-ND2 3.12Å; D186-N190 PolarHBondContact OD1-ND2 2.88Å; D186-N190 PolarHBondContact OD2-ND2 2.94Å; D186-N190 VanDerWaalsContact OD2-ND2 3.09Å |
| 187 | L | 91.6 | Very high | 83.7 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.7 | -42.8 | 174 | -72.5 | -180 | 0 | 0 | 0 | 112.5 | K114 Y115 A118 H183 V184 N190 L191 | K114-L187 HydrophobicContact CB-CD2 4.15Å; K114-L187 HydrophobicContact CD-CD2 3.69Å; K114-L187 HydrophobicContact CG-CD2 3.95Å; Y115-L187 HydrophobicContact CD1-CB 4.38Å; Y115-L187 HydrophobicContact CE1-CB 4.07Å; Y115-L187 HydrophobicContact CE1-CD2 4.27Å; A118-L187 HydrophobicContact CB-CD1 3.66Å; H183-L187 WeakPolarHBondContact O-CG 3.17Å; H183-L187 PolarHBondContact O-N 3.37Å; V184-L187 PolarHBondContact O-N 2.89Å; L187-N190 PolarHBondContact O-N 2.97Å; L187-L191 PolarHBondContact O-N 3.49Å; L187-L191 VanDerWaalsContact O-N 3.09Å |
| 188 | N | 90.5 | Very high | 83.1 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.043 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.7 | -35 | 177.3 | -79 | -32.6 | 0 | 0 | 0 | 112.6 | V184 N185 D186 L191 | V184-N188 WeakPolarHBondContact O-CB 3.43Å; V184-N188 PolarHBondContact O-N 3.21Å; V184-N188 PolarHBondContact O-ND2 2.6Å; N185-N188 PolarHBondContact O-N 3.01Å; D186-N188 VanDerWaalsContact C-N 3.3Å; D186-N188 PolarHBondContact O-N 2.69Å; N188-L191 WeakPolarHBondContact O-CB 3.38Å |
| 189 | G | 87.1 | Confident | 82.2 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.3 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N185 D186 L191 | N185-G189 PolarHBondContact O-N 2.65Å; D186-G189 PolarHBondContact O-N 3.26Å; D186-G189 VanDerWaalsContact O-N 3.12Å; G189-L191 VanDerWaalsContact C-N 3.32Å; G189-L191 PolarHBondContact O-N 3.34Å |
| 190 | N | 85.3 | Confident | 81.7 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -76.1 | -18.2 | 179.1 | -66.5 | -36.3 | 0 | 0 | 0 | 113.4 | D186 L187 E192 S193 E194 | D186-N190 VanDerWaalsContact CG-ND2 3.35Å; D186-N190 PolarHBondContact O-N 3.12Å; D186-N190 PolarHBondContact O-ND2 3.45Å; D186-N190 VanDerWaalsContact O-ND2 3.12Å; D186-N190 PolarHBondContact OD1-ND2 2.88Å; D186-N190 PolarHBondContact OD2-ND2 2.94Å; D186-N190 VanDerWaalsContact OD2-ND2 3.09Å; L187-N190 PolarHBondContact O-N 2.97Å; N190-E192 PolarHBondContact O-N 3.37Å; N190-E192 VanDerWaalsContact O-N 3.16Å; N190-S193 PolarHBondContact O-N 2.87Å; N190-S193 VanDerWaalsContact O-N 3.1Å; N190-S193 PolarHBondContact O-OG 3.42Å; N190-E194 PolarHBondContact O-N 3.5Å; N190-E194 VanDerWaalsContact O-N 3.11Å |
| 191 | L | 84 | Confident | 80.7 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.7 | 178.3 | -149.8 | 78.4 | 0 | 0 | 0 | 112.7 | Y115 L187 N188 G189 L206 L209 K210 | Y115-L191 HydrophobicContact CD1-CD1 3.93Å; Y115-L191 HydrophobicContact CE1-CD1 3.19Å; Y115-L191 HydrophobicContact CE2-CD1 4.04Å; Y115-L191 WeakPolarHBondContact OH-CD1 3.32Å; L187-L191 PolarHBondContact O-N 3.49Å; L187-L191 VanDerWaalsContact O-N 3.09Å; N188-L191 WeakPolarHBondContact O-CB 3.38Å; G189-L191 VanDerWaalsContact C-N 3.32Å; G189-L191 PolarHBondContact O-N 3.34Å; L191-L206 HydrophobicContact CD2-CD1 3.94Å; L191-L206 HydrophobicContact CD2-CG 3.78Å; L191-L206 HydrophobicContact CG-CD1 3.7Å; L191-L206 HydrophobicContact CG-CG 3.99Å; L191-L209 HydrophobicContact CD1-CD2 3.92Å; L191-K210 HydrophobicContact CD2-CB 3.9Å |
| 192 | E | 71.1 | Confident | 80.2 | Confident | 121 Ų | 121 | 63.7 Ų | 63.7 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -28.6 | -178.9 | -68.5 | 174 | -160 | 0 | 0 | 112.4 | N190 R201 K210 | N190-E192 PolarHBondContact O-N 3.37Å; N190-E192 VanDerWaalsContact O-N 3.16Å; E192-R201 PolarHBondContact O-NH2 3.45Å; E192-K210 IonicContact OE1-NZ 3.46Å; E192-K210 PolarHBondContact OE1-NZ 2.8Å |
| 193 | S | 71 | Confident | 79.8 | Confident | 80 Ų | 80 | 68.7 Ų | 68.7 | 56% | 0.559 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -22.4 | -176.3 | 61.1 | 0 | 0 | 0 | 0 | 114 | N190 S195 | N190-S193 PolarHBondContact O-N 2.87Å; N190-S193 VanDerWaalsContact O-N 3.1Å; N190-S193 PolarHBondContact O-OG 3.42Å; S193-S195 VanDerWaalsContact C-N 3.28Å; S193-S195 PolarHBondContact O-N 2.99Å |
| 194 | E | 66.8 | Low | 79.6 | Confident | 53 Ų | 53 | 73.1 Ų | 73.1 | 25% | 0.248 | 40% | 0.401 | C | S | . | . | trans | -78.9 | 73.2 | 177.9 | -72.7 | -175.4 | 171.1 | 0 | 0 | 112.4 | K114 Y115 N190 T196 | K114-E194 WeakPolarHBondContact CE-OE2 3.34Å; K114-E194 IonicContact NZ-OE1 3.68Å; K114-E194 PolarHBondContact NZ-OE1 2.94Å; K114-E194 IonicContact NZ-OE2 3.59Å; K114-E194 PolarHBondContact NZ-OE2 2.58Å; Y115-E194 PolarHBondContact OH-OE2 2.83Å; N190-E194 PolarHBondContact O-N 3.5Å; N190-E194 VanDerWaalsContact O-N 3.11Å; E194-T196 VanDerWaalsContact C-N 3.29Å; E194-T196 PolarHBondContact O-N 3.44Å | ||
| 195 | S | 52.2 | Low | 79.4 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -14.5 | -177.2 | 57.3 | 0 | 0 | 0 | 0 | 115.3 | S193 | S193-S195 VanDerWaalsContact C-N 3.28Å; S193-S195 PolarHBondContact O-N 2.99Å |
| 196 | T | 61.5 | Low | 79.2 | Confident | 130 Ų | 130 | 70.3 Ų | 70.3 | 80% | 0.798 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -6 | -168.7 | 54.3 | 0 | 0 | 0 | 0 | 115.7 | E194 | E194-T196 VanDerWaalsContact C-N 3.29Å; E194-T196 PolarHBondContact O-N 3.44Å |
| 197 | M | 69.3 | Low | 79.1 | Confident | 67 Ų | 67 | 71.1 Ų | 71.1 | 33% | 0.33 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -79.8 | -33.1 | -171.6 | -102.9 | -158.4 | 78.4 | 0 | 0 | 114.9 | P68 | P68-M197 HydrophobicContact CB-CE 3.47Å; P68-M197 VanDerWaalsContact CB-CE 3.47Å; P68-M197 HydrophobicContact CG-CE 4.18Å |
| 198 | F | 76.9 | Confident | 79.2 | Confident | 14 Ų | 14 | 70.9 Ų | 70.9 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | trans | -107.7 | 127.7 | -174.3 | -58.4 | -68 | 0 | 0 | 0 | 111.5 | L72 L75 Y115 D200 R201 | L72-F198 HydrophobicContact CB-CB 4.23Å; L72-F198 HydrophobicContact CB-CD1 3.89Å; L72-F198 HydrophobicContact CB-CE1 4.43Å; L72-F198 HydrophobicContact CB-CG 4.01Å; L72-F198 HydrophobicContact CD1-CD1 4.35Å; L72-F198 HydrophobicContact CD1-CE1 4.1Å; L72-F198 HydrophobicContact CD1-CE2 4.34Å; L72-F198 HydrophobicContact CD1-CZ 4.08Å; L72-F198 HydrophobicContact CD2-CD2 4.45Å; L75-F198 HydrophobicContact CD2-CE1 4.48Å; Y115-F198 HydrophobicContact CD2-CZ 4.08Å; Y115-F198 HydrophobicContact CE2-CE2 4.3Å; Y115-F198 AromaticContact CE2-CZ 3.85Å; Y115-F198 HydrophobicContact CE2-CZ 3.85Å; F198-D200 VanDerWaalsContact C-N 3.3Å; F198-D200 PolarHBondContact O-N 3.39Å; F198-R201 HydrophobicContact CB-CB 4.48Å | ||
| 199 | A | 73.6 | Confident | 79.4 | Confident | 96 Ų | 96 | 70.5 Ų | 70.5 | 79% | 0.793 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -25.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | S70 | S70-A199 PolarHBondContact O-N 3.03Š|
| 200 | D | 80.9 | Confident | 79.8 | Confident | 43 Ų | 43 | 70.4 Ų | 70.4 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 34.7 | -174.5 | 58.8 | -15.7 | 0 | 0 | 0 | 112.2 | S71 L72 Y73 F198 E202 L205 | S71-D200 WeakPolarHBondContact CA-OD1 3.23Å; S71-D200 PolarHBondContact OG-OD2 2.95Å; L72-D200 WeakPolarHBondContact CB-OD1 3.39Å; L72-D200 PolarHBondContact N-OD1 3.32Å; L72-D200 PolarHBondContact N-OD2 3.48Å; L72-D200 VanDerWaalsContact N-OD2 3.17Å; Y73-D200 WeakPolarHBondContact CB-OD2 2.94Å; Y73-D200 PolarHBondContact N-OD2 3Å; F198-D200 VanDerWaalsContact C-N 3.3Å; F198-D200 PolarHBondContact O-N 3.39Å; D200-E202 PolarHBondContact O-N 2.95Å; D200-L205 WeakPolarHBondContact O-CD1 3.49Å |
| 201 | R | 71.6 | Confident | 80.3 | Confident | 113 Ų | 113 | 68 Ų | 68 | 43% | 0.426 | 36% | 0.358 | S | S | . | . | trans | -62.8 | 103.7 | -174.3 | -168.1 | -178.1 | -169.9 | -104.3 | 5.7 | 112.1 | E192 F198 | E192-R201 PolarHBondContact O-NH2 3.45Å; F198-R201 HydrophobicContact CB-CB 4.48Å | ||
| 202 | E | 82.5 | Confident | 80.9 | Confident | 121 Ų | 121 | 67.9 Ų | 67.9 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | trans | -112.9 | 141.4 | 164.1 | -66.7 | -172.7 | 176.6 | 0 | 0 | 110.4 | D200 K204 L205 L206 | D200-E202 PolarHBondContact O-N 2.95Å; E202-K204 PolarHBondContact O-N 3.17Å; E202-L205 HydrophobicContact CB-CB 4.44Å; E202-L205 HydrophobicContact CB-CD1 4.08Å; E202-L205 HydrophobicContact CB-CG 4.1Å; E202-L205 HydrophobicContact CG-CD1 4.42Å; E202-L205 WeakPolarHBondContact O-CB 3.37Å; E202-L205 PolarHBondContact O-N 3.36Å; E202-L206 PolarHBondContact O-N 3.36Å | ||
| 203 | E | 84.8 | Confident | 82.1 | Confident | 163 Ų | 163 | 62.1 Ų | 62.1 | 76% | 0.762 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56.7 | -36.1 | 179.3 | -172 | 173.1 | -168.2 | 0 | 0 | 112.1 | L205 L206 M207 | E203-L205 PolarHBondContact O-N 2.85Å; E203-L206 PolarHBondContact O-N 2.87Å; E203-M207 WeakPolarHBondContact O-CB 3.43Å; E203-M207 WeakPolarHBondContact O-CG 3.01Å; E203-M207 PolarHBondContact O-N 3.26Å |
| 204 | K | 89.2 | Confident | 83.4 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 67% | 0.665 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.9 | -40.4 | 174.8 | -70.4 | -174.4 | 179.4 | -179.6 | 0 | 112.9 | E202 G208 | E202-K204 PolarHBondContact O-N 3.17Å; K204-G208 PolarHBondContact O-N 3.15Å |
| 205 | L | 91.1 | Very high | 84.9 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 177.7 | -64.8 | 174.1 | 0 | 0 | 0 | 110.6 | L72 Y73 L76 D200 E202 E203 G208 L209 I302 | L72-L205 HydrophobicContact CD2-CB 3.5Å; L72-L205 VanDerWaalsContact CD2-CB 3.5Å; L72-L205 HydrophobicContact CG-CB 3.89Å; Y73-L205 HydrophobicContact CD2-CD2 4.42Å; L76-L205 HydrophobicContact CD1-CB 3.94Å; L76-L205 HydrophobicContact CD1-CD2 3.57Å; L76-L205 HydrophobicContact CD1-CG 4.36Å; L76-L205 WeakPolarHBondContact CD1-O 3.24Å; D200-L205 WeakPolarHBondContact O-CD1 3.49Å; E202-L205 HydrophobicContact CB-CB 4.44Å; E202-L205 HydrophobicContact CB-CD1 4.08Å; E202-L205 HydrophobicContact CB-CG 4.1Å; E202-L205 HydrophobicContact CG-CD1 4.42Å; E202-L205 WeakPolarHBondContact O-CB 3.37Å; E202-L205 PolarHBondContact O-N 3.36Å; E203-L205 PolarHBondContact O-N 2.85Å; L205-G208 CarbonylContact O-C 3.46Å; L205-G208 WeakPolarHBondContact O-CA 3.48Å; L205-G208 PolarHBondContact O-N 3.15Å; L205-L209 PolarHBondContact O-N 3.02Å; L205-I302 HydrophobicContact CD2-CB 4.03Å; L205-I302 HydrophobicContact CD2-CD1 4.47Å; L205-I302 HydrophobicContact CD2-CG1 4.21Å; L205-I302 WeakPolarHBondContact CD2-O 3.48Å |
| 206 | L | 90.3 | Very high | 87 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 176.9 | -157 | 77 | 0 | 0 | 0 | 111.5 | L72 L191 E202 E203 G208 L209 K210 | L72-L206 HydrophobicContact CD2-CD1 4.35Å; L191-L206 HydrophobicContact CD2-CD1 3.94Å; L191-L206 HydrophobicContact CD2-CG 3.78Å; L191-L206 HydrophobicContact CG-CD1 3.7Å; L191-L206 HydrophobicContact CG-CG 3.99Å; E202-L206 PolarHBondContact O-N 3.36Å; E203-L206 PolarHBondContact O-N 2.87Å; L206-G208 VanDerWaalsContact C-N 3.27Å; L206-G208 PolarHBondContact O-N 2.86Å; L206-L209 PolarHBondContact O-N 3.09Å; L206-K210 WeakPolarHBondContact O-CB 3.28Å; L206-K210 PolarHBondContact O-N 2.73Å |
| 207 | M | 90.6 | Very high | 88.8 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 54% | 0.537 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -38.1 | 173.4 | -73.2 | -60.4 | -63.3 | 0 | 0 | 111.8 | E203 S211 | E203-M207 WeakPolarHBondContact O-CB 3.43Å; E203-M207 WeakPolarHBondContact O-CG 3.01Å; E203-M207 PolarHBondContact O-N 3.26Å; M207-S211 WeakPolarHBondContact O-CB 3.39Å; M207-S211 PolarHBondContact O-N 3.26Å; M207-S211 PolarHBondContact O-OG 3.18Å |
| 208 | G | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -51.3 | -60 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K204 L205 L206 K210 S211 R212 | K204-G208 PolarHBondContact O-N 3.15Å; L205-G208 CarbonylContact O-C 3.46Å; L205-G208 WeakPolarHBondContact O-CA 3.48Å; L205-G208 PolarHBondContact O-N 3.15Å; L206-G208 VanDerWaalsContact C-N 3.27Å; L206-G208 PolarHBondContact O-N 2.86Å; G208-K210 PolarHBondContact O-N 2.77Å; G208-S211 PolarHBondContact O-N 2.74Å; G208-S211 PolarHBondContact O-OG 3.23Å; G208-R212 WeakPolarHBondContact O-CD 3.44Å; G208-R212 PolarHBondContact O-N 3.32Å; G208-R212 PolarHBondContact O-NH1 3.39Å |
| 209 | L | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | -176 | 178.6 | 59.8 | 0 | 0 | 0 | 111.7 | L72 L75 L76 I79 Y115 L191 L205 L206 S211 R212 L213 | L72-L209 HydrophobicContact CD1-CB 4.1Å; L72-L209 HydrophobicContact CD1-CD2 3.53Å; L72-L209 HydrophobicContact CD1-CG 4.37Å; L75-L209 HydrophobicContact CD2-CD1 4.38Å; L75-L209 HydrophobicContact CD2-CD2 4.14Å; L76-L209 HydrophobicContact CD2-CB 4.21Å; I79-L209 HydrophobicContact CD1-CD1 3.51Å; Y115-L209 HydrophobicContact CD1-CD2 4.31Å; Y115-L209 HydrophobicContact CD2-CD2 4.17Å; Y115-L209 HydrophobicContact CG-CD2 3.97Å; L191-L209 HydrophobicContact CD1-CD2 3.92Å; L205-L209 PolarHBondContact O-N 3.02Å; L206-L209 PolarHBondContact O-N 3.09Å; L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 3.42Å; L209-R212 PolarHBondContact O-N 3Å; L209-L213 HydrophobicContact CD1-CD1 4.22Å; L209-L213 HydrophobicContact CD1-CG 4.34Å; L209-L213 HydrophobicContact CG-CD1 4.12Å; L209-L213 PolarHBondContact O-N 2.86Å |
| 210 | K | 94.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.6 | -48.3 | 176.4 | -169.5 | 173.4 | -173.7 | 172.8 | 0 | 111.5 | L191 E192 L206 G208 R212 L213 Q214 | L191-K210 HydrophobicContact CD2-CB 3.9Å; E192-K210 IonicContact OE1-NZ 3.46Å; E192-K210 PolarHBondContact OE1-NZ 2.8Å; L206-K210 WeakPolarHBondContact O-CB 3.28Å; L206-K210 PolarHBondContact O-N 2.73Å; G208-K210 PolarHBondContact O-N 2.77Å; K210-R212 PolarHBondContact O-N 2.88Å; K210-L213 PolarHBondContact O-N 3.17Å; K210-Q214 WeakPolarHBondContact O-CB 3.48Å; K210-Q214 VanDerWaalsContact O-CG 3.28Å; K210-Q214 WeakPolarHBondContact O-CG 3.46Å; K210-Q214 PolarHBondContact O-N 2.84Å |
| 211 | S | 95.6 | Very high | 93 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -36.7 | -179.9 | 66.3 | 0 | 0 | 0 | 0 | 113.6 | M207 G208 L209 F215 | M207-S211 WeakPolarHBondContact O-CB 3.39Å; M207-S211 PolarHBondContact O-N 3.26Å; M207-S211 PolarHBondContact O-OG 3.18Å; G208-S211 PolarHBondContact O-N 2.74Å; G208-S211 PolarHBondContact O-OG 3.23Å; L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 3.42Å; S211-F215 VanDerWaalsContact O-CB 3.27Å; S211-F215 WeakPolarHBondContact O-CB 3.47Å; S211-F215 PolarHBondContact O-N 2.91Å |
| 212 | R | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.7 | -41.3 | 177.2 | -77.8 | 81.2 | 177.1 | 138.2 | -2.8 | 111.9 | I79 D80 L83 F119 G208 L209 K210 F215 V216 L296 T299 | I79-R212 HydrophobicContact CG2-CB 3.66Å; I79-R212 HydrophobicContact CG2-CG 3.66Å; D80-R212 IonicContact OD1-CZ 2.79Å; D80-R212 IonicContact OD1-NE 2.63Å; D80-R212 PolarHBondContact OD1-NE 3.17Å; D80-R212 IonicContact OD1-NH2 2.61Å; D80-R212 PolarHBondContact OD1-NH2 3.21Å; D80-R212 IonicContact OD2-NH2 3.65Å; L83-R212 HydrophobicContact CD1-CG 3.84Å; F119-R212 HydrophobicContact CE2-CB 4.37Å; G208-R212 WeakPolarHBondContact O-CD 3.44Å; G208-R212 PolarHBondContact O-N 3.32Å; G208-R212 PolarHBondContact O-NH1 3.39Å; L209-R212 PolarHBondContact O-N 3Å; K210-R212 PolarHBondContact O-N 2.88Å; R212-F215 PolarHBondContact O-N 2.76Å; R212-V216 PolarHBondContact O-N 3.13Å; R212-V216 VanDerWaalsContact O-N 3.16Å; R212-L296 HydrophobicContact CG-CD2 3.71Å; R212-T299 PolarHBondContact NH1-OG1 3.15Å; R212-T299 PolarHBondContact NH2-O 2.97Å; R212-T299 PolarHBondContact NH2-OG1 3.32Å |
| 213 | L | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 175.4 | -73.6 | 170.2 | 0 | 0 | 0 | 111 | Y115 F119 V184 L209 K210 F215 V216 Q217 | Y115-L213 HydrophobicContact CD1-CD1 3.8Å; F119-L213 HydrophobicContact CB-CD2 3.94Å; V184-L213 HydrophobicContact CG1-CB 4.4Å; L209-L213 HydrophobicContact CD1-CD1 4.22Å; L209-L213 HydrophobicContact CD1-CG 4.34Å; L209-L213 HydrophobicContact CG-CD1 4.12Å; L209-L213 PolarHBondContact O-N 2.86Å; K210-L213 PolarHBondContact O-N 3.17Å; L213-F215 VanDerWaalsContact C-N 3.3Å; L213-F215 PolarHBondContact O-N 3.4Å; L213-V216 PolarHBondContact O-N 3.19Å; L213-Q217 VanDerWaalsContact O-CB 3.28Å; L213-Q217 WeakPolarHBondContact O-CB 3.44Å; L213-Q217 PolarHBondContact O-N 3.47Å |
| 214 | Q | 97.1 | Very high | 95.2 | Very high | 66 Ų | 66 | 24.4 Ų | 24.4 | 31% | 0.308 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -62.3 | -36.9 | 175.7 | -72.3 | 177.7 | -28.8 | 0 | 0 | 112.2 | K210 Q217 A218 L292 | K210-Q214 WeakPolarHBondContact O-CB 3.48Å; K210-Q214 VanDerWaalsContact O-CG 3.28Å; K210-Q214 WeakPolarHBondContact O-CG 3.46Å; K210-Q214 PolarHBondContact O-N 2.84Å; Q214-Q217 PolarHBondContact O-N 3.49Å; Q214-A218 VanDerWaalsContact O-CB 3.3Å; Q214-A218 WeakPolarHBondContact O-CB 3.33Å; Q214-A218 PolarHBondContact O-N 3.01Å; Q214-L292 HydrophobicContact CB-CD1 3.94Å; Q214-L292 HydrophobicContact CB-CD2 3.97Å |
| 215 | F | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 178.9 | 175.8 | -96.3 | 0 | 0 | 0 | 111.6 | L83 S211 R212 L213 Q217 A218 L219 L289 L292 L296 F352 F356 | L83-F215 HydrophobicContact CD2-CD1 4.08Å; L83-F215 HydrophobicContact CD2-CE1 4.03Å; S211-F215 VanDerWaalsContact O-CB 3.27Å; S211-F215 WeakPolarHBondContact O-CB 3.47Å; S211-F215 PolarHBondContact O-N 2.91Å; R212-F215 PolarHBondContact O-N 2.76Å; L213-F215 VanDerWaalsContact C-N 3.3Å; L213-F215 PolarHBondContact O-N 3.4Å; F215-Q217 VanDerWaalsContact C-N 3.34Å; F215-A218 PolarHBondContact O-N 3.22Å; F215-L219 WeakPolarHBondContact O-CB 3.24Å; F215-L219 PolarHBondContact O-N 3.39Å; F215-L289 HydrophobicContact CD2-CD2 3.85Å; F215-L289 HydrophobicContact CE2-CD2 3.76Å; F215-L289 HydrophobicContact CZ-CD2 4.33Å; F215-L289 WeakPolarHBondContact O-CD2 3.42Å; F215-L292 HydrophobicContact CB-CB 4.29Å; F215-L292 HydrophobicContact CB-CD1 4.44Å; F215-L292 HydrophobicContact CD2-CB 4.04Å; F215-L296 HydrophobicContact CB-CD1 4.39Å; F215-L296 HydrophobicContact CD1-CD1 4.11Å; F215-L296 HydrophobicContact CD2-CD1 3.85Å; F215-L296 HydrophobicContact CE1-CD1 4.36Å; F215-L296 HydrophobicContact CE2-CD1 4.11Å; F215-L296 HydrophobicContact CG-CD1 3.85Å; F215-L296 HydrophobicContact CZ-CD1 4.36Å; F215-F352 HydrophobicContact CE1-CD2 4.39Å; F215-F352 HydrophobicContact CE1-CE2 4.29Å; F215-F352 HydrophobicContact CE1-CZ 4.41Å; F215-F352 HydrophobicContact CE2-CG 4.47Å; F215-F352 HydrophobicContact CZ-CB 4.31Å; F215-F352 AromaticContact CZ-CD1 3.96Å; F215-F352 HydrophobicContact CZ-CD1 3.96Å; F215-F352 AromaticContact CZ-CD2 3.93Å; F215-F352 HydrophobicContact CZ-CD2 3.93Å; F215-F352 HydrophobicContact CZ-CE1 4.26Å; F215-F352 HydrophobicContact CZ-CE2 4.24Å; F215-F352 AromaticContact CZ-CG 3.82Å; F215-F352 HydrophobicContact CZ-CG 3.82Å; F215-F352 HydrophobicContact CZ-CZ 4.4Å; F215-F356 HydrophobicContact CE2-CD2 4.44Å; F215-F356 AromaticContact CE2-CE2 3.71Å; F215-F356 HydrophobicContact CE2-CE2 3.71Å; F215-F356 HydrophobicContact CE2-CZ 4.49Å; F215-F356 AromaticContact CZ-CE2 3.86Å; F215-F356 HydrophobicContact CZ-CE2 3.86Å; F215-F356 HydrophobicContact CZ-CZ 4.44Å |
| 216 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -73.2 | -29.8 | -179.2 | -169 | 0 | 0 | 0 | 0 | 111.6 | L83 F119 L122 L123 R212 L213 L219 L220 | L83-V216 HydrophobicContact CD2-CG2 4.01Å; F119-V216 HydrophobicContact CD2-CB 4.48Å; F119-V216 HydrophobicContact CD2-CG2 3.86Å; F119-V216 HydrophobicContact CE2-CB 4.29Å; F119-V216 HydrophobicContact CE2-CG2 3.24Å; F119-V216 HydrophobicContact CZ-CG2 3.84Å; L122-V216 HydrophobicContact CB-CB 4.2Å; L122-V216 HydrophobicContact CB-CG1 3.53Å; L122-V216 HydrophobicContact CD1-CB 4.49Å; L123-V216 HydrophobicContact CB-CG1 3.89Å; L123-V216 HydrophobicContact CD1-CG1 4.37Å; L123-V216 VanDerWaalsContact N-CG1 3.33Å; R212-V216 PolarHBondContact O-N 3.13Å; R212-V216 VanDerWaalsContact O-N 3.16Å; L213-V216 PolarHBondContact O-N 3.19Å; V216-L219 WeakPolarHBondContact O-CB 3.37Å; V216-L219 PolarHBondContact O-N 3Å; V216-L220 PolarHBondContact O-N 3.24Å |
| 217 | Q | 97.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 17 Ų | 17 | 8% | 0.079 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -49.4 | 169.6 | -175.9 | -169.1 | 42.2 | 0 | 0 | 111.4 | L122 T181 V184 N185 L213 Q214 F215 L219 L220 L221 | L122-Q217 HydrophobicContact CD1-CB 4.15Å; T181-Q217 HydrophobicContact CG2-CG 3.93Å; T181-Q217 VanDerWaalsContact CG2-NE2 3.27Å; T181-Q217 PolarHBondContact O-NE2 3.43Å; V184-Q217 HydrophobicContact CG1-CB 4.34Å; V184-Q217 HydrophobicContact CG1-CG 4.41Å; N185-Q217 PolarHBondContact OD1-NE2 3.13Å; L213-Q217 VanDerWaalsContact O-CB 3.28Å; L213-Q217 WeakPolarHBondContact O-CB 3.44Å; L213-Q217 PolarHBondContact O-N 3.47Å; Q214-Q217 PolarHBondContact O-N 3.49Å; F215-Q217 VanDerWaalsContact C-N 3.34Å; Q217-L219 VanDerWaalsContact C-N 3.26Å; Q217-L219 PolarHBondContact O-N 3.21Å; Q217-L220 PolarHBondContact O-N 3.41Å; Q217-L221 WeakPolarHBondContact O-CG 3.41Å; Q217-L221 PolarHBondContact O-N 3.44Å; Q217-L221 VanDerWaalsContact O-N 3.1Å |
| 218 | A | 97.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 5% | 0.05 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.6 | -34.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q214 F215 L221 F222 T288 L289 L292 | Q214-A218 VanDerWaalsContact O-CB 3.3Å; Q214-A218 WeakPolarHBondContact O-CB 3.33Å; Q214-A218 PolarHBondContact O-N 3.01Å; F215-A218 PolarHBondContact O-N 3.22Å; A218-L221 PolarHBondContact O-N 3.13Å; A218-F222 WeakPolarHBondContact O-CB 3.4Å; A218-F222 PolarHBondContact O-N 3.43Å; A218-T288 HydrophobicContact CB-CG2 4.04Å; A218-L289 HydrophobicContact CB-CD2 3.91Å; A218-L289 HydrophobicContact CB-CG 3.96Å; A218-L292 HydrophobicContact CB-CD1 4.2Å |
| 219 | L | 97.9 | Very high | 95 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.5 | -176.8 | 65.9 | 0 | 0 | 0 | 110.8 | F86 F215 V216 Q217 L221 F222 T223 L289 F356 | F86-L219 HydrophobicContact CD1-CD2 4.48Å; F86-L219 HydrophobicContact CE1-CD2 3.51Å; F86-L219 HydrophobicContact CZ-CD2 3.73Å; F215-L219 WeakPolarHBondContact O-CB 3.24Å; F215-L219 PolarHBondContact O-N 3.39Å; V216-L219 WeakPolarHBondContact O-CB 3.37Å; V216-L219 PolarHBondContact O-N 3Å; Q217-L219 VanDerWaalsContact C-N 3.26Å; Q217-L219 PolarHBondContact O-N 3.21Å; L219-L221 VanDerWaalsContact C-N 3.35Å; L219-L221 PolarHBondContact O-N 2.88Å; L219-F222 HydrophobicContact CD1-CD1 4.36Å; L219-F222 WeakPolarHBondContact O-CB 3.44Å; L219-F222 PolarHBondContact O-N 3.23Å; L219-T223 HydrophobicContact CD1-CG2 4.38Å; L219-T223 HydrophobicContact CG-CG2 4.49Å; L219-T223 VanDerWaalsContact O-CG2 3.3Å; L219-T223 WeakPolarHBondContact O-CG2 3.41Å; L219-T223 PolarHBondContact O-N 2.99Å; L219-T223 PolarHBondContact O-OG1 3.04Å; L219-L289 HydrophobicContact CB-CD2 4.04Å; L219-F356 HydrophobicContact CD1-CZ 4.25Å |
| 220 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 176.4 | -177.7 | 61.7 | 0 | 0 | 0 | 112 | L122 R125 S126 V177 L180 V216 Q217 F222 T223 N224 | L122-L220 HydrophobicContact CD2-CB 4.33Å; L122-L220 HydrophobicContact CD2-CD2 3.54Å; R125-L220 HydrophobicContact CB-CD1 3.65Å; S126-L220 VanDerWaalsContact OG-CA 3.3Å; S126-L220 WeakPolarHBondContact OG-CA 3.43Å; S126-L220 WeakPolarHBondContact OG-CB 3.38Å; S126-L220 PolarHBondContact OG-N 2.65Å; V177-L220 HydrophobicContact CG1-CD2 4.19Å; V177-L220 HydrophobicContact CG1-CG 4.18Å; L180-L220 HydrophobicContact CD2-CD2 4.07Å; V216-L220 PolarHBondContact O-N 3.24Å; Q217-L220 PolarHBondContact O-N 3.41Å; L220-F222 VanDerWaalsContact C-N 3.35Å; L220-T223 WeakPolarHBondContact CA-OG1 3.17Å; L220-T223 PolarHBondContact O-N 3.49Å; L220-T223 PolarHBondContact O-OG1 2.63Å; L220-N224 WeakPolarHBondContact O-CB 3.22Å; L220-N224 PolarHBondContact O-N 2.93Å |
| 221 | L | 97 | Very high | 93.8 | Very high | 48 Ų | 48 | 16.3 Ų | 16.3 | 25% | 0.251 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 177.2 | -66.6 | 173.8 | 0 | 0 | 0 | 112.2 | V177 T181 Q217 A218 L219 S225 | V177-L221 HydrophobicContact CG1-CD2 4.16Å; T181-L221 HydrophobicContact CG2-CD1 4.28Å; T181-L221 HydrophobicContact CG2-CD2 4.49Å; Q217-L221 WeakPolarHBondContact O-CG 3.41Å; Q217-L221 PolarHBondContact O-N 3.44Å; Q217-L221 VanDerWaalsContact O-N 3.1Å; A218-L221 PolarHBondContact O-N 3.13Å; L219-L221 VanDerWaalsContact C-N 3.35Å; L219-L221 PolarHBondContact O-N 2.88Å; L221-S225 WeakPolarHBondContact O-CB 3.32Å; L221-S225 PolarHBondContact O-N 2.96Å; L221-S225 PolarHBondContact O-OG 3.35Å |
| 222 | F | 96.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.4 | -54.1 | 172.9 | 166.6 | -107.9 | 0 | 0 | 0 | 111.2 | A218 L219 L220 N224 S225 I226 V282 H285 I286 L289 L359 I426 | A218-F222 WeakPolarHBondContact O-CB 3.4Å; A218-F222 PolarHBondContact O-N 3.43Å; L219-F222 HydrophobicContact CD1-CD1 4.36Å; L219-F222 WeakPolarHBondContact O-CB 3.44Å; L219-F222 PolarHBondContact O-N 3.23Å; L220-F222 VanDerWaalsContact C-N 3.35Å; F222-N224 VanDerWaalsContact C-N 3.28Å; F222-N224 PolarHBondContact O-N 2.95Å; F222-S225 PolarHBondContact O-N 3.03Å; F222-I226 HydrophobicContact CD2-CG1 4.42Å; F222-I226 HydrophobicContact CE2-CD1 4.22Å; F222-I226 HydrophobicContact CE2-CG1 3.97Å; F222-I226 HydrophobicContact CZ-CG1 4.1Å; F222-I226 WeakPolarHBondContact O-CG1 3.33Å; F222-I226 PolarHBondContact O-N 2.87Å; F222-I226 VanDerWaalsContact O-N 3.16Å; F222-V282 HydrophobicContact CD2-CG1 3.94Å; F222-V282 HydrophobicContact CE2-CG1 3.76Å; F222-H285 HydrophobicContact CB-CB 3.92Å; F222-I286 HydrophobicContact CD2-CG1 3.94Å; F222-I286 HydrophobicContact CE2-CD1 3.99Å; F222-I286 HydrophobicContact CE2-CG1 3.85Å; F222-L289 HydrophobicContact CB-CD1 3.65Å; F222-L289 HydrophobicContact CD1-CD1 4.3Å; F222-L289 HydrophobicContact CG-CD1 3.96Å; F222-L359 HydrophobicContact CZ-CD1 4.19Å; F222-I426 HydrophobicContact CZ-CD1 4.07Å; F222-I426 HydrophobicContact CZ-CG1 4.39Å |
| 223 | T | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.5 | -36.3 | -177.3 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | Q129 L130 L219 L220 I226 S227 | Q129-T223 VanDerWaalsContact OE1-C 3.25Å; Q129-T223 VanDerWaalsContact OE1-CB 3.29Å; Q129-T223 PolarHBondContact OE1-OG1 3.2Å; L130-T223 HydrophobicContact CD1-CG2 4Å; L130-T223 HydrophobicContact CD2-CG2 3.67Å; L130-T223 HydrophobicContact CG-CG2 3.47Å; L130-T223 VanDerWaalsContact CG-CG2 3.47Å; L219-T223 HydrophobicContact CD1-CG2 4.38Å; L219-T223 HydrophobicContact CG-CG2 4.49Å; L219-T223 VanDerWaalsContact O-CG2 3.3Å; L219-T223 WeakPolarHBondContact O-CG2 3.41Å; L219-T223 PolarHBondContact O-N 2.99Å; L219-T223 PolarHBondContact O-OG1 3.04Å; L220-T223 WeakPolarHBondContact CA-OG1 3.17Å; L220-T223 PolarHBondContact O-N 3.49Å; L220-T223 PolarHBondContact O-OG1 2.63Å; T223-I226 PolarHBondContact O-N 2.88Å; T223-S227 WeakPolarHBondContact O-CB 3.35Å; T223-S227 PolarHBondContact O-N 3.19Å |
| 224 | N | 93.8 | Very high | 87.8 | Confident | 30 Ų | 30 | 31.7 Ų | 31.7 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 176.6 | -170.9 | 73.7 | 0 | 0 | 0 | 111.6 | Q129 V177 L220 F222 I226 S227 E228 | Q129-N224 PolarHBondContact NE2-OD1 3.26Å; V177-N224 HydrophobicContact CG1-CB 4.42Å; L220-N224 WeakPolarHBondContact O-CB 3.22Å; L220-N224 PolarHBondContact O-N 2.93Å; F222-N224 VanDerWaalsContact C-N 3.28Å; F222-N224 PolarHBondContact O-N 2.95Å; N224-I226 VanDerWaalsContact C-N 3.3Å; N224-I226 PolarHBondContact O-N 3.24Å; N224-S227 PolarHBondContact O-N 3.18Å; N224-E228 PolarHBondContact ND2-OE1 3.16Å; N224-E228 WeakPolarHBondContact O-CG 3.3Å; N224-E228 PolarHBondContact O-N 3.26Å |
| 225 | S | 93.3 | Very high | 85 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 177 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | L221 F222 C229 K281 H285 | L221-S225 WeakPolarHBondContact O-CB 3.32Å; L221-S225 PolarHBondContact O-N 2.96Å; L221-S225 PolarHBondContact O-OG 3.35Å; F222-S225 PolarHBondContact O-N 3.03Å; S225-C229 PolarHBondContact O-N 3.47Å; S225-K281 VanDerWaalsContact OG-CE 3.31Å; S225-K281 WeakPolarHBondContact OG-CE 3.4Å; S225-H285 PolarHBondContact OG-CD2 3.26Å; S225-H285 PolarHBondContact OG-NE2 3.22Å |
| 226 | I | 92.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.1 | -43.7 | 173.9 | -58 | -59.7 | 0 | 0 | 0 | 110.7 | I133 F222 T223 N224 E228 C229 I230 F278 V282 I426 T429 F430 | I133-I226 HydrophobicContact CD1-CB 3.86Å; I133-I226 HydrophobicContact CD1-CG2 3.73Å; I133-I226 HydrophobicContact CG1-CG2 3.99Å; I133-I226 HydrophobicContact CG2-CG2 4.04Å; F222-I226 HydrophobicContact CD2-CG1 4.42Å; F222-I226 HydrophobicContact CE2-CD1 4.22Å; F222-I226 HydrophobicContact CE2-CG1 3.97Å; F222-I226 HydrophobicContact CZ-CG1 4.1Å; F222-I226 WeakPolarHBondContact O-CG1 3.33Å; F222-I226 PolarHBondContact O-N 2.87Å; F222-I226 VanDerWaalsContact O-N 3.16Å; T223-I226 PolarHBondContact O-N 2.88Å; N224-I226 VanDerWaalsContact C-N 3.3Å; N224-I226 PolarHBondContact O-N 3.24Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 3.2Å; I226-C229 WeakPolarHBondContact O-CB 3.32Å; I226-C229 PolarHBondContact O-N 3.38Å; I226-C229 VanDerWaalsContact O-N 3.11Å; I226-I230 HydrophobicContact CG2-CD1 4.09Å; I226-I230 WeakPolarHBondContact O-CG1 3.38Å; I226-I230 PolarHBondContact O-N 2.67Å; I226-I230 VanDerWaalsContact O-N 3.12Å; I226-F278 HydrophobicContact CD1-CE2 4.3Å; I226-F278 HydrophobicContact CD1-CZ 3.89Å; I226-V282 HydrophobicContact CD1-CG1 4.15Å; I226-V282 HydrophobicContact CD1-CG2 3.92Å; I226-I426 HydrophobicContact CD1-CD1 4.47Å; I226-I426 HydrophobicContact CG1-CD1 4.21Å; I226-I426 HydrophobicContact CG2-CD1 4.15Å; I226-T429 HydrophobicContact CG2-CG2 4.01Å; I226-F430 HydrophobicContact CD1-CE1 3.63Å; I226-F430 HydrophobicContact CD1-CZ 4.11Å |
| 227 | S | 89.7 | Confident | 78.5 | Confident | 20 Ų | 20 | 50 Ų | 50 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -38.5 | 178.8 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | T223 N224 C229 I230 H231 | T223-S227 WeakPolarHBondContact O-CB 3.35Å; T223-S227 PolarHBondContact O-N 3.19Å; N224-S227 PolarHBondContact O-N 3.18Å; S227-C229 VanDerWaalsContact C-N 3.27Å; S227-C229 PolarHBondContact O-N 3.43Å; S227-I230 PolarHBondContact O-N 3.01Å; S227-H231 PolarHBondContact O-N 3.33Å |
| 228 | E | 87.6 | Confident | 75.2 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62 | -34.9 | 174.2 | -76.4 | 170.9 | -176.3 | 0 | 0 | 112.1 | N224 I226 K281 | N224-E228 PolarHBondContact ND2-OE1 3.16Å; N224-E228 WeakPolarHBondContact O-CG 3.3Å; N224-E228 PolarHBondContact O-N 3.26Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 3.2Å; E228-K281 IonicContact OE2-NZ 3.49Å; E228-K281 PolarHBondContact OE2-NZ 3.36Å |
| 229 | C | 85.7 | Confident | 71.9 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.9 | -34.8 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | S225 I226 S227 F278 G438 V440 | S225-C229 PolarHBondContact O-N 3.47Å; I226-C229 WeakPolarHBondContact O-CB 3.32Å; I226-C229 PolarHBondContact O-N 3.38Å; I226-C229 VanDerWaalsContact O-N 3.11Å; S227-C229 VanDerWaalsContact C-N 3.27Å; S227-C229 PolarHBondContact O-N 3.43Å; C229-F278 HydrophobicContact CB-CD2 4.13Å; C229-F278 HydrophobicContact CB-CE2 3.51Å; C229-F278 HydrophobicContact CB-CZ 3.82Å; C229-G438 PolarHBondContact SG-O 2.95Å; C229-V440 PolarHBondContact O-N 2.93Å |
| 230 | I | 83.9 | Confident | 68.6 | Low | 10 Ų | 10 | 69.2 Ų | 69.2 | 5% | 0.051 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -78.7 | -42.2 | 179.8 | -66.1 | 180 | 0 | 0 | 0 | 112.1 | I133 T136 I226 S227 P232 T429 F443 | I133-I230 HydrophobicContact CB-CD1 4.32Å; I133-I230 HydrophobicContact CG1-CD1 3.94Å; I133-I230 HydrophobicContact CG2-CD1 4.13Å; T136-I230 HydrophobicContact CG2-CG2 4.18Å; I226-I230 HydrophobicContact CG2-CD1 4.09Å; I226-I230 WeakPolarHBondContact O-CG1 3.38Å; I226-I230 PolarHBondContact O-N 2.67Å; I226-I230 VanDerWaalsContact O-N 3.12Å; S227-I230 PolarHBondContact O-N 3.01Å; I230-P232 VanDerWaalsContact C-CD 3.4Å; I230-P232 VanDerWaalsContact O-CD 3.23Å; I230-P232 WeakPolarHBondContact O-CD 2.87Å; I230-T429 HydrophobicContact CD1-CG2 4.06Å; I230-T429 HydrophobicContact CG1-CG2 4.06Å; I230-F443 HydrophobicContact CB-CE2 4.31Å; I230-F443 HydrophobicContact CD1-CE2 4.19Å; I230-F443 HydrophobicContact CD1-CZ 3.86Å; I230-F443 HydrophobicContact CG1-CE2 3.89Å; I230-F443 HydrophobicContact CG1-CZ 3.77Å; I230-F443 HydrophobicContact CG2-CE2 3.78Å; I230-F443 HydrophobicContact CG2-CZ 4.48Å |
| 231 | H | 79.8 | Confident | 65.4 | Low | 39 Ų | 39 | 76.9 Ų | 76.9 | 18% | 0.181 | 40% | 0.395 | C | S | . | . | trans | -119.8 | 68.9 | -175.4 | -59.7 | -71.6 | 0 | 0 | 0 | 111.1 | D132 S227 T233 R234 | D132-H231 IonicContact OD1-NE2 2.69Å; D132-H231 IonicContact OD2-CD2 2.79Å; D132-H231 PolarHBondContact OD2-CD2 3.24Å; D132-H231 IonicContact OD2-CE1 3.88Å; D132-H231 IonicContact OD2-NE2 3.94Å; D132-H231 PolarHBondContact OD2-NE2 3.04Å; S227-H231 PolarHBondContact O-N 3.33Å; H231-T233 PolarHBondContact O-N 3.42Å; H231-R234 HydrophobicContact CB-CB 3.74Å; H231-R234 HydrophobicContact CB-CG 3.8Å; H231-R234 PolarHBondContact NE2-NH1 3.44Å; H231-R234 PolarHBondContact O-N 3.19Å | ||
| 232 | P | 61.3 | Low | 62.3 | Low | 53 Ų | 53 | 84.1 Ų | 84.1 | 34% | 0.344 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.5 | -174.4 | 25.6 | -34.8 | 0 | 0 | 0 | 113.5 | I230 K439 | I230-P232 VanDerWaalsContact C-CD 3.4Å; I230-P232 VanDerWaalsContact O-CD 3.23Å; I230-P232 WeakPolarHBondContact O-CD 2.87Å; P232-K439 HydrophobicContact CB-CD 4.22Å; P232-K439 HydrophobicContact CB-CG 4.44Å; P232-K439 HydrophobicContact CG-CB 4.48Å |
| 233 | T | 54.6 | Low | 58.9 | Low | 131 Ų | 131 | 90.9 Ų | 90.9 | 80% | 0.804 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -6.9 | 178.8 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | H231 V235 | H231-T233 PolarHBondContact O-N 3.42Å; T233-V235 PolarHBondContact O-N 2.92Å |
| 234 | R | 49.5 | Very low | 55.6 | Low | 143 Ų | 143 | 93.9 Ų | 93.9 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 8.6 | -179.2 | -86.7 | -170.5 | 175.4 | 170.6 | -5 | 114.7 | D132 H231 D236 | D132-R234 IonicContact OD1-NH1 3.74Å; D132-R234 IonicContact OD2-NH1 2.86Å; H231-R234 HydrophobicContact CB-CB 3.74Å; H231-R234 HydrophobicContact CB-CG 3.8Å; H231-R234 PolarHBondContact NE2-NH1 3.44Å; H231-R234 PolarHBondContact O-N 3.19Å; R234-D236 PolarHBondContact O-N 3.02Å; R234-D236 VanDerWaalsContact O-N 3.12Å |
| 235 | V | 38.2 | Very low | 52.6 | Low | 120 Ų | 120 | 103.6 Ų | 103.6 | 73% | 0.727 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | T233 | T233-V235 PolarHBondContact O-N 2.92Š|
| 236 | D | 28.2 | Very low | 49.4 | Very low | 128 Ų | 128 | 109.5 Ų | 109.5 | 68% | 0.684 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -135 | 107.4 | 169.4 | -70 | -53.2 | 0 | 0 | 0 | 108.3 | R234 | R234-D236 PolarHBondContact O-N 3.02Å; R234-D236 VanDerWaalsContact O-N 3.12Å |
| 237 | F | 30.3 | Very low | 46.4 | Very low | 202 Ų | 202 | 119 Ų | 119 | 89% | 0.886 | 60% | 0.603 | S | S | * | * | trans | 164.3 | 118 | 142.8 | -91.3 | -70 | 0 | 0 | 0 | 110.8 | ||||
| 238 | N | 28.7 | Very low | 43.3 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 80% | 0.802 | 63% | 0.631 | S | S | * | * | trans | -65 | 156.5 | 160.4 | -75.3 | -36.4 | 0 | 0 | 0 | 110.7 | ||||
| 239 | Q | 29.4 | Very low | 40.4 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | trans | 87.7 | 119 | 161.6 | -76 | 172.4 | -33.2 | 0 | 0 | 119.6 | ||||
| 240 | D | 28.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 66% | 0.658 | 69% | 0.686 | S | S | * | * | trans | 73.1 | 110.3 | 137.9 | -53.6 | -21.9 | 0 | 0 | 0 | 120.1 | ||||
| 241 | L | 29.4 | Very low | 34.8 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | 172.5 | 111.4 | 104.2 | -110.8 | 98.6 | 0 | 0 | 0 | 107.6 | |||||
| 242 | F | 31.2 | Very low | 32.6 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | trans | -176.8 | 73.8 | 143.5 | -108.1 | -73.6 | 0 | 0 | 0 | 109.6 | ||||
| 243 | E | 26.8 | Very low | 30.9 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | trans | -140.5 | 119.6 | 153 | -108.4 | 178.7 | -164.9 | 0 | 0 | 108.3 | T149 | T149-E243 PolarHBondContact OG1-OE1 3.35Š| ||
| 244 | G | 25.5 | Very low | 29.6 | Very low | 63 Ų | 63 | 144.3 Ų | 144.3 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | trans | 115.7 | 83.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 245 | Y | 30.3 | Very low | 28.6 | Very low | 233 Ų | 233 | 146.7 Ų | 146.7 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | trans | -154.6 | 112.5 | 136.8 | -93.5 | -70.5 | 0 | 0 | 0 | 110.6 | ||||
| 246 | T | 27.4 | Very low | 28 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -65.2 | 141.8 | 157.1 | 45.1 | 0 | 0 | 0 | 0 | 110 | A248 | T246-A248 PolarHBondContact O-N 3.27Š| ||
| 247 | H | 28 | Very low | 28.1 | Very low | 199 Ų | 199 | 147.9 Ų | 147.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -15.1 | 109.2 | 168.7 | -78.5 | -85.5 | 0 | 0 | 0 | 116.6 | ||
| 248 | A | 26.1 | Very low | 28 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -162 | 120.1 | 147 | 0 | 0 | 0 | 0 | 0 | 108.1 | T246 | T246-A248 PolarHBondContact O-N 3.27Š| ||
| 249 | D | 26.3 | Very low | 27.9 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 37.2 | 95.4 | 158.6 | -56.4 | -32.2 | 0 | 0 | 0 | 117.9 | D251 | D249-D251 PolarHBondContact O-N 2.83Š| ||
| 250 | L | 29.3 | Very low | 27.9 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -71.6 | 69.9 | 160.5 | -75.3 | 165.1 | 0 | 0 | 0 | 110.3 | F252 | L250-F252 HydrophobicContact CB-CD2 4.37Å; L250-F252 HydrophobicContact CB-CE2 4.38Å; L250-F252 HydrophobicContact CD2-CD2 4.24Å; L250-F252 HydrophobicContact CD2-CE2 3.61Å; L250-F252 HydrophobicContact CD2-CZ 3.99Å; L250-F252 HydrophobicContact CG-CE2 4.41Å; L250-F252 PolarHBondContact O-N 2.81Å | ||
| 251 | D | 23.3 | Very low | 28 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -81.6 | 92.3 | 153.2 | -94.6 | -17 | 0 | 0 | 0 | 107.8 | D249 S253 | D249-D251 PolarHBondContact O-N 2.83Å; D251-S253 PolarHBondContact O-N 2.79Å | ||
| 252 | F | 32.2 | Very low | 28.2 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | trans | -68.9 | 76.2 | 164.5 | -82.1 | -80.5 | 0 | 0 | 0 | 109.4 | L250 G254 | L250-F252 HydrophobicContact CB-CD2 4.37Å; L250-F252 HydrophobicContact CB-CE2 4.38Å; L250-F252 HydrophobicContact CD2-CD2 4.24Å; L250-F252 HydrophobicContact CD2-CE2 3.61Å; L250-F252 HydrophobicContact CD2-CZ 3.99Å; L250-F252 HydrophobicContact CG-CE2 4.41Å; L250-F252 PolarHBondContact O-N 2.81Å; F252-G254 PolarHBondContact O-N 3.37Å; F252-G254 VanDerWaalsContact O-N 3.15Å | ||
| 253 | S | 26.3 | Very low | 28.2 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -72.1 | 104.4 | 162.1 | 64.4 | 0 | 0 | 0 | 0 | 108.2 | D251 Q255 | D251-S253 PolarHBondContact O-N 2.79Å; S253-Q255 PolarHBondContact O-N 3.06Å | ||
| 254 | G | 27.6 | Very low | 28.3 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -57.8 | 118.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F252 N256 | F252-G254 PolarHBondContact O-N 3.37Å; F252-G254 VanDerWaalsContact O-N 3.15Å; G254-N256 PolarHBondContact O-N 3.16Å | ||
| 255 | Q | 27.6 | Very low | 29 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -73 | 104.8 | 149.8 | -80.1 | -173.4 | -6.3 | 0 | 0 | 107.1 | S253 S257 | S253-Q255 PolarHBondContact O-N 3.06Å; Q255-S257 VanDerWaalsContact C-N 3.34Å; Q255-S257 PolarHBondContact O-N 3.3Å | ||
| 256 | N | 26.2 | Very low | 29.3 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -57.4 | 96.3 | 164.4 | -73.4 | -28.9 | 0 | 0 | 0 | 108.7 | G254 S258 | G254-N256 PolarHBondContact O-N 3.16Å; N256-S258 PolarHBondContact O-N 3.42Å | ||
| 257 | S | 29.5 | Very low | 29.8 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -68.9 | 87.2 | 155 | 46.8 | 0 | 0 | 0 | 0 | 107.1 | Q255 S259 | Q255-S257 VanDerWaalsContact C-N 3.34Å; Q255-S257 PolarHBondContact O-N 3.3Å; S257-S259 PolarHBondContact O-N 3.21Å; S257-S259 VanDerWaalsContact O-N 3.12Å | ||
| 258 | S | 28 | Very low | 30.4 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -53 | 113.6 | 174.5 | 56.5 | 0 | 0 | 0 | 0 | 110.9 | N256 K260 | N256-S258 PolarHBondContact O-N 3.42Å; S258-K260 PolarHBondContact O-N 2.95Å | ||
| 259 | S | 28.2 | Very low | 31.6 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 34.4 | 88.5 | 127.9 | 60.8 | 0 | 0 | 0 | 0 | 116 | S257 | S257-S259 PolarHBondContact O-N 3.21Å; S257-S259 VanDerWaalsContact O-N 3.12Å | |||
| 260 | K | 28.2 | Very low | 33 | Very low | 209 Ų | 209 | 139.3 Ų | 139.3 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -155.7 | 20.6 | 159.7 | -116 | 174.2 | -169.7 | -175.2 | 0 | 116.6 | S258 | S258-K260 PolarHBondContact O-N 2.95Š| ||
| 261 | L | 30.6 | Very low | 34.6 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -126 | 8.6 | -179.4 | -103.1 | 156.6 | 0 | 0 | 0 | 115 | ||
| 262 | Y | 34.4 | Very low | 37.2 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 52% | 0.518 | 70% | 0.697 | S | S | . | * | trans | -111 | 21.9 | -167.5 | -88.4 | -83.9 | 0 | 0 | 0 | 116 | W436 F448 P450 | Y262-W436 VanDerWaalsContact OH-CH2 3.32Å; Y262-W436 WeakPolarHBondContact OH-CH2 3.49Å; Y262-W436 VanDerWaalsContact OH-CZ3 3.28Å; Y262-W436 WeakPolarHBondContact OH-CZ3 3.34Å; Y262-F448 PolarHBondContact OH-O 3.38Å; Y262-F448 VanDerWaalsContact OH-O 3.08Å; Y262-P450 HydrophobicContact CE1-CG 4.43Å | ||
| 263 | E | 29.6 | Very low | 39.6 | Very low | 198 Ų | 198 | 125.1 Ų | 125.1 | 93% | 0.925 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -93.1 | 1.2 | 179.4 | -87.7 | -174.7 | 165.5 | 0 | 0 | 115.7 | ||
| 264 | D | 30.5 | Very low | 42.4 | Very low | 156 Ų | 156 | 122.9 Ų | 122.9 | 83% | 0.834 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -127.9 | 23 | -166.1 | -124.7 | -1.1 | 0 | 0 | 0 | 117.8 | ||
| 265 | Q | 39.3 | Very low | 45.3 | Very low | 136 Ų | 136 | 119.8 Ų | 119.8 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | trans | -121.5 | 30.4 | -179.4 | -70.7 | -165.9 | -11.7 | 0 | 0 | 116.1 | N267 | Q265-N267 VanDerWaalsContact C-N 3.32Š| ||
| 266 | N | 36.7 | Very low | 48.3 | Very low | 159 Ų | 159 | 110.7 Ų | 110.7 | 85% | 0.85 | 59% | 0.593 | S | S | * | * | trans | -85.4 | 3.5 | 167.6 | -92.9 | -12 | 0 | 0 | 0 | 114.2 | T268 | N266-T268 PolarHBondContact O-N 3.1Š| ||
| 267 | N | 37.2 | Very low | 51.3 | Low | 157 Ų | 157 | 107.7 Ų | 107.7 | 84% | 0.84 | 58% | 0.576 | S | S | * | * | trans | -85.9 | 99.3 | 172.3 | -89.5 | -15.2 | 0 | 0 | 0 | 111.3 | Q265 E269 | Q265-N267 VanDerWaalsContact C-N 3.32Å; N267-E269 VanDerWaalsContact C-N 3.29Å; N267-E269 PolarHBondContact O-N 3.16Å | ||
| 268 | T | 41.7 | Very low | 54.2 | Low | 115 Ų | 115 | 102.9 Ų | 102.9 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | trans | -70.4 | 65.4 | 178.9 | 42.5 | 0 | 0 | 0 | 0 | 114 | N266 | N266-T268 PolarHBondContact O-N 3.1Š| ||
| 269 | E | 49.9 | Very low | 57.3 | Low | 169 Ų | 169 | 98.5 Ų | 98.5 | 79% | 0.79 | 51% | 0.51 | S | S | * | . | trans | -125.3 | 97.6 | 146.4 | -84.4 | -175.9 | 164.9 | 0 | 0 | 106 | N267 V271 | N267-E269 VanDerWaalsContact C-N 3.29Å; N267-E269 PolarHBondContact O-N 3.16Å; E269-V271 PolarHBondContact O-N 3.32Å | ||
| 270 | V | 56.7 | Low | 60.4 | Low | 30 Ų | 30 | 99 Ų | 99 | 18% | 0.182 | 50% | 0.495 | C | S | . | . | trans | -76.5 | 95.2 | -179.6 | 177.9 | 0 | 0 | 0 | 0 | 107 | W272 M451 | V270-W272 HydrophobicContact CB-CZ2 4.49Å; V270-W272 HydrophobicContact CG1-CD2 4.28Å; V270-W272 HydrophobicContact CG1-CH2 3.88Å; V270-W272 HydrophobicContact CG1-CZ2 3.38Å; V270-W272 PolarHBondContact O-N 3.24Å; V270-M451 HydrophobicContact CG1-SD 4.1Å; V270-M451 HydrophobicContact CG2-CE 4.39Å | ||
| 271 | V | 62.6 | Low | 63.5 | Low | 72 Ų | 72 | 92.9 Ų | 92.9 | 44% | 0.436 | 47% | 0.469 | S | S | . | . | trans | -80.9 | 103 | -177.6 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | E269 D273 | E269-V271 PolarHBondContact O-N 3.32Å; V271-D273 HydrophobicContact CG1-CB 3.6Å; V271-D273 WeakPolarHBondContact CG1-OD2 3.33Å; V271-D273 PolarHBondContact O-N 2.93Å | ||
| 272 | W | 78.2 | Confident | 66.5 | Low | 12 Ų | 12 | 85.1 Ų | 85.1 | 5% | 0.045 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -11.3 | 175.7 | -63.7 | 104.1 | 0 | 0 | 0 | 113.2 | V270 S274 F275 I276 A370 H373 L434 M451 Y455 | V270-W272 HydrophobicContact CB-CZ2 4.49Å; V270-W272 HydrophobicContact CG1-CD2 4.28Å; V270-W272 HydrophobicContact CG1-CH2 3.88Å; V270-W272 HydrophobicContact CG1-CZ2 3.38Å; V270-W272 PolarHBondContact O-N 3.24Å; W272-S274 VanDerWaalsContact C-N 3.27Å; W272-S274 PolarHBondContact O-N 3.47Å; W272-F275 PolarHBondContact O-N 2.99Å; W272-I276 HydrophobicContact CB-CD1 3.6Å; W272-I276 HydrophobicContact CB-CG1 4.19Å; W272-I276 WeakPolarHBondContact O-CG1 3.49Å; W272-I276 PolarHBondContact O-N 3.3Å; W272-A370 HydrophobicContact CE3-CB 4.38Å; W272-H373 HydrophobicContact CZ2-CB 4.17Å; W272-L434 HydrophobicContact CE3-CD1 3.98Å; W272-L434 HydrophobicContact CZ3-CD1 3.6Å; W272-L434 HydrophobicContact CZ3-CG 4.41Å; W272-M451 HydrophobicContact CH2-SD 4.08Å; W272-Y455 AromaticContact CH2-CE2 3.82Å; W272-Y455 HydrophobicContact CH2-CE2 3.82Å; W272-Y455 AromaticContact CH2-CZ 3.63Å; W272-Y455 WeakPolarHBondContact CH2-OH 3.04Å; W272-Y455 HydrophobicContact CZ2-CE2 4.42Å; W272-Y455 AromaticContact CZ2-CZ 3.83Å; W272-Y455 WeakPolarHBondContact CZ2-OH 3.47Å |
| 273 | D | 82.9 | Confident | 69.4 | Low | 80 Ų | 80 | 79.8 Ų | 79.8 | 43% | 0.428 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -51.3 | -44 | -173.4 | -63.1 | -27.4 | 0 | 0 | 0 | 112.5 | V271 F275 I276 D277 | V271-D273 HydrophobicContact CG1-CB 3.6Å; V271-D273 WeakPolarHBondContact CG1-OD2 3.33Å; V271-D273 PolarHBondContact O-N 2.93Å; D273-F275 VanDerWaalsContact C-N 3.33Å; D273-F275 PolarHBondContact O-N 3.46Å; D273-I276 PolarHBondContact O-N 3.39Å; D273-D277 VanDerWaalsContact O-CB 3.28Å; D273-D277 WeakPolarHBondContact O-CB 3.45Å; D273-D277 VanDerWaalsContact O-CG 3.26Å; D273-D277 PolarHBondContact O-N 2.92Å |
| 274 | S | 84.9 | Confident | 72.5 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 43% | 0.434 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | -179.5 | -172 | 0 | 0 | 0 | 0 | 112.9 | W272 F278 | W272-S274 VanDerWaalsContact C-N 3.27Å; W272-S274 PolarHBondContact O-N 3.47Å; S274-F278 WeakPolarHBondContact O-CB 3.21Å; S274-F278 PolarHBondContact O-N 2.95Å; S274-F278 VanDerWaalsContact O-N 3.15Å |
| 275 | F | 89.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -76.9 | -37.7 | 177.6 | 178 | -100.8 | 0 | 0 | 0 | 111.4 | W272 D273 F278 C279 Y366 A370 A433 L434 | W272-F275 PolarHBondContact O-N 2.99Å; D273-F275 VanDerWaalsContact C-N 3.33Å; D273-F275 PolarHBondContact O-N 3.46Å; F275-F278 HydrophobicContact CD2-CD1 4.17Å; F275-F278 HydrophobicContact CE2-CD1 4.17Å; F275-F278 HydrophobicContact CE2-CE1 4.47Å; F275-F278 WeakPolarHBondContact O-CB 3.34Å; F275-F278 PolarHBondContact O-N 3.33Å; F275-C279 WeakPolarHBondContact CE1-SG 3.22Å; F275-C279 VanDerWaalsContact CZ-SG 3.52Å; F275-C279 PolarHBondContact O-N 3.09Å; F275-C279 PolarHBondContact O-SG 2.93Å; F275-Y366 HydrophobicContact CZ-CD1 4.32Å; F275-A370 HydrophobicContact CD1-CB 3.73Å; F275-A370 HydrophobicContact CE1-CB 4.04Å; F275-A433 HydrophobicContact CD2-CB 4.16Å; F275-A433 HydrophobicContact CE2-CB 3.92Å; F275-L434 HydrophobicContact CD1-CD1 3.69Å; F275-L434 HydrophobicContact CD2-CB 4.32Å; F275-L434 HydrophobicContact CE1-CB 4.25Å; F275-L434 HydrophobicContact CE1-CD1 3.63Å; F275-L434 HydrophobicContact CE2-CB 3.88Å; F275-L434 HydrophobicContact CG-CD1 4.22Å; F275-L434 HydrophobicContact CZ-CB 3.83Å; F275-L434 HydrophobicContact CZ-CD1 4.12Å |
| 276 | I | 89.6 | Confident | 78.4 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 176.2 | -68.2 | 165.2 | 0 | 0 | 0 | 110.2 | W272 D273 C279 R280 A370 L371 | W272-I276 HydrophobicContact CB-CD1 3.6Å; W272-I276 HydrophobicContact CB-CG1 4.19Å; W272-I276 WeakPolarHBondContact O-CG1 3.49Å; W272-I276 PolarHBondContact O-N 3.3Å; D273-I276 PolarHBondContact O-N 3.39Å; I276-C279 WeakPolarHBondContact O-CB 3.3Å; I276-C279 PolarHBondContact O-N 3.45Å; I276-C279 VanDerWaalsContact O-N 3.12Å; I276-R280 HydrophobicContact CG2-CG 4.48Å; I276-R280 WeakPolarHBondContact O-CG 3.41Å; I276-R280 PolarHBondContact O-N 3.43Å; I276-A370 HydrophobicContact CD1-CB 4.41Å; I276-A370 HydrophobicContact CG1-CB 3.92Å; I276-L371 HydrophobicContact CD1-CD2 3.8Å; I276-L371 HydrophobicContact CD1-CG 4.27Å; I276-L371 HydrophobicContact CG1-CD2 4.44Å; I276-L371 HydrophobicContact CG2-CD2 4.34Å |
| 277 | D | 89.4 | Confident | 81.2 | Confident | 89 Ų | 89 | 58.9 Ų | 58.9 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 177.1 | -74.4 | -16.4 | 0 | 0 | 0 | 111.6 | D273 C279 R280 K281 | D273-D277 VanDerWaalsContact O-CB 3.28Å; D273-D277 WeakPolarHBondContact O-CB 3.45Å; D273-D277 VanDerWaalsContact O-CG 3.26Å; D273-D277 PolarHBondContact O-N 2.92Å; D277-C279 VanDerWaalsContact C-N 3.33Å; D277-C279 PolarHBondContact O-N 2.98Å; D277-R280 PolarHBondContact O-N 3.12Å; D277-R280 IonicContact OD1-NH1 3.27Å; D277-R280 PolarHBondContact OD1-NH1 3.49Å; D277-K281 WeakPolarHBondContact O-CB 3.38Å; D277-K281 PolarHBondContact O-N 3.33Å |
| 278 | F | 90.9 | Very high | 84.1 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.5 | -46.9 | 169.2 | 166.9 | -109.6 | 0 | 0 | 0 | 111.4 | I226 C229 S274 F275 R280 K281 V282 F430 A433 | I226-F278 HydrophobicContact CD1-CE2 4.3Å; I226-F278 HydrophobicContact CD1-CZ 3.89Å; C229-F278 HydrophobicContact CB-CD2 4.13Å; C229-F278 HydrophobicContact CB-CE2 3.51Å; C229-F278 HydrophobicContact CB-CZ 3.82Å; S274-F278 WeakPolarHBondContact O-CB 3.21Å; S274-F278 PolarHBondContact O-N 2.95Å; S274-F278 VanDerWaalsContact O-N 3.15Å; F275-F278 HydrophobicContact CD2-CD1 4.17Å; F275-F278 HydrophobicContact CE2-CD1 4.17Å; F275-F278 HydrophobicContact CE2-CE1 4.47Å; F275-F278 WeakPolarHBondContact O-CB 3.34Å; F275-F278 PolarHBondContact O-N 3.33Å; F278-R280 PolarHBondContact O-N 3.35Å; F278-K281 PolarHBondContact O-N 3.41Å; F278-V282 HydrophobicContact CD2-CG2 4.05Å; F278-V282 HydrophobicContact CE2-CG2 3.62Å; F278-V282 HydrophobicContact CZ-CG2 3.97Å; F278-V282 WeakPolarHBondContact O-CG2 3.37Å; F278-V282 PolarHBondContact O-N 2.85Å; F278-F430 AromaticContact CE1-CD1 3.61Å; F278-F430 HydrophobicContact CE1-CD1 3.61Å; F278-F430 AromaticContact CE1-CE1 3.55Å; F278-F430 HydrophobicContact CE1-CE1 3.55Å; F278-F430 HydrophobicContact CZ-CD1 4.01Å; F278-F430 AromaticContact CZ-CE1 3.63Å; F278-F430 HydrophobicContact CZ-CE1 3.63Å; F278-A433 HydrophobicContact CE1-CB 4.25Å |
| 279 | C | 92.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.7 | -69.8 | 0 | 0 | 0 | 0 | 111.6 | F275 I276 D277 K281 V282 S283 L363 E367 | F275-C279 WeakPolarHBondContact CE1-SG 3.22Å; F275-C279 VanDerWaalsContact CZ-SG 3.52Å; F275-C279 PolarHBondContact O-N 3.09Å; F275-C279 PolarHBondContact O-SG 2.93Å; I276-C279 WeakPolarHBondContact O-CB 3.3Å; I276-C279 PolarHBondContact O-N 3.45Å; I276-C279 VanDerWaalsContact O-N 3.12Å; D277-C279 VanDerWaalsContact C-N 3.33Å; D277-C279 PolarHBondContact O-N 2.98Å; C279-K281 PolarHBondContact O-N 3.48Å; C279-V282 PolarHBondContact O-N 3.46Å; C279-S283 WeakPolarHBondContact O-CB 3.48Å; C279-S283 PolarHBondContact O-N 3.32Å; C279-L363 HydrophobicContact CB-CD1 3.86Å; C279-L363 WeakPolarHBondContact O-CD2 3.47Å; C279-E367 HydrophobicContact CB-CB 4.04Å; C279-E367 HydrophobicContact CB-CG 4.22Å |
| 280 | R | 93 | Very high | 88.9 | Confident | 113 Ų | 113 | 43 Ų | 43 | 43% | 0.426 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 179 | -71.4 | 170.9 | -179.7 | 159.5 | -2 | 112.3 | I276 D277 F278 S283 Q284 E367 | I276-R280 HydrophobicContact CG2-CG 4.48Å; I276-R280 WeakPolarHBondContact O-CG 3.41Å; I276-R280 PolarHBondContact O-N 3.43Å; D277-R280 PolarHBondContact O-N 3.12Å; D277-R280 IonicContact OD1-NH1 3.27Å; D277-R280 PolarHBondContact OD1-NH1 3.49Å; F278-R280 PolarHBondContact O-N 3.35Å; R280-S283 WeakPolarHBondContact O-CB 3.5Å; R280-S283 PolarHBondContact O-N 2.94Å; R280-Q284 WeakPolarHBondContact O-CG 3.28Å; R280-Q284 PolarHBondContact O-N 3.28Å; R280-E367 WeakPolarHBondContact CG-OE1 3.13Å; R280-E367 IonicContact NE-OE1 3.67Å |
| 281 | K | 92.7 | Very high | 90.9 | Very high | 82 Ų | 82 | 44.4 Ų | 44.4 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.1 | -50.4 | 174.4 | -176.6 | -177.3 | 179.4 | -175.2 | 0 | 110.7 | S225 E228 D277 F278 C279 S283 Q284 H285 | S225-K281 VanDerWaalsContact OG-CE 3.31Å; S225-K281 WeakPolarHBondContact OG-CE 3.4Å; E228-K281 IonicContact OE2-NZ 3.49Å; E228-K281 PolarHBondContact OE2-NZ 3.36Å; D277-K281 WeakPolarHBondContact O-CB 3.38Å; D277-K281 PolarHBondContact O-N 3.33Å; F278-K281 PolarHBondContact O-N 3.41Å; C279-K281 PolarHBondContact O-N 3.48Å; K281-S283 VanDerWaalsContact C-N 3.32Å; K281-S283 PolarHBondContact O-N 2.87Å; K281-Q284 PolarHBondContact O-N 2.64Å; K281-H285 PolarHBondContact O-CD2 3.45Å; K281-H285 VanDerWaalsContact O-CD2 3.27Å |
| 282 | V | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -34.4 | 179.5 | 178 | 0 | 0 | 0 | 0 | 112 | F222 I226 F278 C279 Q284 H285 I286 L363 F430 | F222-V282 HydrophobicContact CD2-CG1 3.94Å; F222-V282 HydrophobicContact CE2-CG1 3.76Å; I226-V282 HydrophobicContact CD1-CG1 4.15Å; I226-V282 HydrophobicContact CD1-CG2 3.92Å; F278-V282 HydrophobicContact CD2-CG2 4.05Å; F278-V282 HydrophobicContact CE2-CG2 3.62Å; F278-V282 HydrophobicContact CZ-CG2 3.97Å; F278-V282 WeakPolarHBondContact O-CG2 3.37Å; F278-V282 PolarHBondContact O-N 2.85Å; C279-V282 PolarHBondContact O-N 3.46Å; V282-Q284 VanDerWaalsContact C-N 3.33Å; V282-Q284 PolarHBondContact O-N 3.46Å; V282-H285 PolarHBondContact O-N 3.04Å; V282-H285 VanDerWaalsContact O-N 3.16Å; V282-I286 HydrophobicContact CG1-CD1 3.76Å; V282-I286 HydrophobicContact CG1-CG1 4.13Å; V282-I286 WeakPolarHBondContact O-CG1 3.19Å; V282-I286 PolarHBondContact O-N 3.04Å; V282-L363 HydrophobicContact CB-CD1 4.45Å; V282-L363 HydrophobicContact CB-CD2 4.37Å; V282-L363 HydrophobicContact CG1-CD1 4.46Å; V282-L363 HydrophobicContact CG1-CD2 4.26Å; V282-F430 HydrophobicContact CG1-CZ 3.98Å |
| 283 | S | 94.5 | Very high | 93.5 | Very high | 21 Ų | 21 | 40.9 Ų | 40.9 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | 179.2 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | C279 R280 K281 H285 I286 S287 L363 | C279-S283 WeakPolarHBondContact O-CB 3.48Å; C279-S283 PolarHBondContact O-N 3.32Å; R280-S283 WeakPolarHBondContact O-CB 3.5Å; R280-S283 PolarHBondContact O-N 2.94Å; K281-S283 VanDerWaalsContact C-N 3.32Å; K281-S283 PolarHBondContact O-N 2.87Å; S283-H285 VanDerWaalsContact C-N 3.33Å; S283-H285 PolarHBondContact O-N 3.15Å; S283-I286 PolarHBondContact O-N 3.45Å; S283-S287 WeakPolarHBondContact O-CB 3.27Å; S283-S287 PolarHBondContact O-N 2.96Å; S283-S287 PolarHBondContact O-OG 3.24Å; S283-L363 VanDerWaalsContact CB-CD2 3.47Å |
| 284 | Q | 95.5 | Very high | 94.1 | Very high | 130 Ų | 130 | 39.7 Ų | 39.7 | 61% | 0.607 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.7 | -43.5 | 175.7 | -68 | 173.8 | 6.2 | 0 | 0 | 111.4 | R280 K281 V282 T288 | R280-Q284 WeakPolarHBondContact O-CG 3.28Å; R280-Q284 PolarHBondContact O-N 3.28Å; K281-Q284 PolarHBondContact O-N 2.64Å; V282-Q284 VanDerWaalsContact C-N 3.33Å; V282-Q284 PolarHBondContact O-N 3.46Å; Q284-T288 WeakPolarHBondContact O-CB 3.45Å; Q284-T288 PolarHBondContact O-N 3.04Å; Q284-T288 VanDerWaalsContact O-N 3.16Å; Q284-T288 PolarHBondContact O-OG1 3.35Å |
| 285 | H | 96.7 | Very high | 94.6 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.6 | -45.6 | 178.2 | -58.1 | -46 | 0 | 0 | 0 | 112 | F222 S225 K281 V282 S283 S287 T288 L289 | F222-H285 HydrophobicContact CB-CB 3.92Å; S225-H285 PolarHBondContact OG-CD2 3.26Å; S225-H285 PolarHBondContact OG-NE2 3.22Å; K281-H285 PolarHBondContact O-CD2 3.45Å; K281-H285 VanDerWaalsContact O-CD2 3.27Å; V282-H285 PolarHBondContact O-N 3.04Å; V282-H285 VanDerWaalsContact O-N 3.16Å; S283-H285 VanDerWaalsContact C-N 3.33Å; S283-H285 PolarHBondContact O-N 3.15Å; H285-S287 PolarHBondContact O-N 3.22Å; H285-T288 PolarHBondContact O-N 3.31Å; H285-L289 WeakPolarHBondContact O-CB 3.39Å; H285-L289 WeakPolarHBondContact O-CG 3.28Å; H285-L289 PolarHBondContact O-N 3.09Å |
| 286 | I | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 178.9 | -68.2 | 176.4 | 0 | 0 | 0 | 111.5 | F222 V282 S283 T288 L289 K290 F356 L359 H360 L363 | F222-I286 HydrophobicContact CD2-CG1 3.94Å; F222-I286 HydrophobicContact CE2-CD1 3.99Å; F222-I286 HydrophobicContact CE2-CG1 3.85Å; V282-I286 HydrophobicContact CG1-CD1 3.76Å; V282-I286 HydrophobicContact CG1-CG1 4.13Å; V282-I286 WeakPolarHBondContact O-CG1 3.19Å; V282-I286 PolarHBondContact O-N 3.04Å; S283-I286 PolarHBondContact O-N 3.45Å; I286-T288 VanDerWaalsContact C-N 3.29Å; I286-T288 PolarHBondContact O-N 3.36Å; I286-L289 PolarHBondContact O-N 3.02Å; I286-K290 WeakPolarHBondContact O-CB 3.38Å; I286-K290 PolarHBondContact O-N 3.12Å; I286-F356 HydrophobicContact CG2-CB 4.49Å; I286-F356 WeakPolarHBondContact CG2-O 3.36Å; I286-L359 HydrophobicContact CD1-CB 3.93Å; I286-L359 HydrophobicContact CG2-CB 4.45Å; I286-H360 HydrophobicContact CG2-CB 3.74Å; I286-L363 HydrophobicContact CD1-CB 4.47Å; I286-L363 HydrophobicContact CD1-CD2 4.06Å |
| 287 | S | 96.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | S283 H285 K290 S291 | S283-S287 WeakPolarHBondContact O-CB 3.27Å; S283-S287 PolarHBondContact O-N 2.96Å; S283-S287 PolarHBondContact O-OG 3.24Å; H285-S287 PolarHBondContact O-N 3.22Å; S287-K290 PolarHBondContact O-N 3.25Å; S287-S291 PolarHBondContact O-N 3.34Å; S287-S291 PolarHBondContact O-OG 3.28Å |
| 288 | T | 97.4 | Very high | 95.5 | Very high | 64 Ų | 64 | 44.5 Ų | 44.5 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.7 | -44.3 | 175.2 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | A218 Q284 H285 I286 K290 S291 L292 | A218-T288 HydrophobicContact CB-CG2 4.04Å; Q284-T288 WeakPolarHBondContact O-CB 3.45Å; Q284-T288 PolarHBondContact O-N 3.04Å; Q284-T288 VanDerWaalsContact O-N 3.16Å; Q284-T288 PolarHBondContact O-OG1 3.35Å; H285-T288 PolarHBondContact O-N 3.31Å; I286-T288 VanDerWaalsContact C-N 3.29Å; I286-T288 PolarHBondContact O-N 3.36Å; T288-K290 VanDerWaalsContact C-N 3.3Å; T288-K290 PolarHBondContact O-N 3.02Å; T288-S291 PolarHBondContact O-N 2.72Å; T288-S291 PolarHBondContact O-OG 2.94Å; T288-L292 HydrophobicContact CG2-CD1 3.76Å; T288-L292 HydrophobicContact CG2-CG 4.46Å; T288-L292 WeakPolarHBondContact O-CB 3.18Å; T288-L292 VanDerWaalsContact O-CG 3.27Å; T288-L292 WeakPolarHBondContact O-CG 3.37Å; T288-L292 PolarHBondContact O-N 3.33Å |
| 289 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 176.1 | -79.3 | 164 | 0 | 0 | 0 | 112.1 | F215 A218 L219 F222 H285 I286 S293 F356 | F215-L289 HydrophobicContact CD2-CD2 3.85Å; F215-L289 HydrophobicContact CE2-CD2 3.76Å; F215-L289 HydrophobicContact CZ-CD2 4.33Å; F215-L289 WeakPolarHBondContact O-CD2 3.42Å; A218-L289 HydrophobicContact CB-CD2 3.91Å; A218-L289 HydrophobicContact CB-CG 3.96Å; L219-L289 HydrophobicContact CB-CD2 4.04Å; F222-L289 HydrophobicContact CB-CD1 3.65Å; F222-L289 HydrophobicContact CD1-CD1 4.3Å; F222-L289 HydrophobicContact CG-CD1 3.96Å; H285-L289 WeakPolarHBondContact O-CB 3.39Å; H285-L289 WeakPolarHBondContact O-CG 3.28Å; H285-L289 PolarHBondContact O-N 3.09Å; I286-L289 PolarHBondContact O-N 3.02Å; L289-S293 VanDerWaalsContact O-CB 3.25Å; L289-S293 WeakPolarHBondContact O-CB 3.43Å; L289-S293 PolarHBondContact O-N 2.91Å; L289-S293 PolarHBondContact O-OG 2.86Å; L289-F356 HydrophobicContact CB-CD1 3.8Å; L289-F356 HydrophobicContact CB-CD2 3.87Å; L289-F356 HydrophobicContact CB-CE1 3.87Å; L289-F356 HydrophobicContact CB-CE2 3.94Å; L289-F356 HydrophobicContact CB-CG 3.82Å; L289-F356 HydrophobicContact CB-CZ 3.94Å; L289-F356 HydrophobicContact CD1-CD1 4.14Å; L289-F356 HydrophobicContact CD1-CE1 3.56Å; L289-F356 HydrophobicContact CD1-CZ 3.86Å; L289-F356 HydrophobicContact CD2-CE1 4.47Å; L289-F356 HydrophobicContact CD2-CE2 4.17Å; L289-F356 HydrophobicContact CD2-CZ 3.94Å; L289-F356 HydrophobicContact CG-CE1 4.17Å; L289-F356 HydrophobicContact CG-CE2 4.49Å; L289-F356 HydrophobicContact CG-CZ 4.14Å |
| 290 | K | 95.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 45 Ų | 45 | 19% | 0.191 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -51.1 | 176.3 | 179.3 | 55.8 | 175.9 | 80.6 | 0 | 111.5 | I286 S287 T288 L292 S293 D294 S353 F356 T357 | I286-K290 WeakPolarHBondContact O-CB 3.38Å; I286-K290 PolarHBondContact O-N 3.12Å; S287-K290 PolarHBondContact O-N 3.25Å; T288-K290 VanDerWaalsContact C-N 3.3Å; T288-K290 PolarHBondContact O-N 3.02Å; K290-L292 VanDerWaalsContact C-N 3.33Å; K290-L292 PolarHBondContact O-N 2.68Å; K290-S293 WeakPolarHBondContact CA-OG 3.3Å; K290-S293 PolarHBondContact O-N 3.26Å; K290-S293 PolarHBondContact O-OG 3.27Å; K290-D294 IonicContact NZ-OD1 3.32Å; K290-D294 PolarHBondContact NZ-OD1 3.12Å; K290-D294 IonicContact NZ-OD2 3.61Å; K290-D294 PolarHBondContact NZ-OD2 2.92Å; K290-D294 PolarHBondContact O-N 3.25Å; K290-D294 VanDerWaalsContact O-N 3.11Å; K290-S353 WeakPolarHBondContact CD-O 3.27Å; K290-S353 WeakPolarHBondContact CE-O 3.27Å; K290-S353 WeakPolarHBondContact CE-OG 3.37Å; K290-S353 PolarHBondContact NZ-OG 2.8Å; K290-F356 HydrophobicContact CB-CB 4.01Å; K290-F356 HydrophobicContact CD-CB 4.27Å; K290-T357 WeakPolarHBondContact CD-OG1 3.38Å; K290-T357 WeakPolarHBondContact CE-OG1 3.29Å |
| 291 | S | 97.5 | Very high | 95.7 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 42% | 0.42 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -42 | 179.5 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | S287 T288 S293 D294 I295 | S287-S291 PolarHBondContact O-N 3.34Å; S287-S291 PolarHBondContact O-OG 3.28Å; T288-S291 PolarHBondContact O-N 2.72Å; T288-S291 PolarHBondContact O-OG 2.94Å; S291-S293 PolarHBondContact O-N 2.69Å; S291-D294 PolarHBondContact O-N 3.24Å; S291-I295 WeakPolarHBondContact O-CG1 3.3Å; S291-I295 PolarHBondContact O-N 3.24Å |
| 292 | L | 98.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 175.8 | -71 | 168.1 | 0 | 0 | 0 | 111.9 | Q214 F215 A218 T288 K290 D294 I295 L296 | Q214-L292 HydrophobicContact CB-CD1 3.94Å; Q214-L292 HydrophobicContact CB-CD2 3.97Å; F215-L292 HydrophobicContact CB-CB 4.29Å; F215-L292 HydrophobicContact CB-CD1 4.44Å; F215-L292 HydrophobicContact CD2-CB 4.04Å; A218-L292 HydrophobicContact CB-CD1 4.2Å; T288-L292 HydrophobicContact CG2-CD1 3.76Å; T288-L292 HydrophobicContact CG2-CG 4.46Å; T288-L292 WeakPolarHBondContact O-CB 3.18Å; T288-L292 VanDerWaalsContact O-CG 3.27Å; T288-L292 WeakPolarHBondContact O-CG 3.37Å; T288-L292 PolarHBondContact O-N 3.33Å; K290-L292 VanDerWaalsContact C-N 3.33Å; K290-L292 PolarHBondContact O-N 2.68Å; L292-D294 VanDerWaalsContact C-N 3.3Å; L292-D294 PolarHBondContact O-N 3.02Å; L292-I295 HydrophobicContact CD2-CD1 4.42Å; L292-I295 WeakPolarHBondContact O-CB 3.34Å; L292-I295 PolarHBondContact O-N 3.49Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.91Å |
| 293 | S | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -33 | 176.5 | 68.2 | 0 | 0 | 0 | 0 | 113.2 | L289 K290 S291 L296 V297 S353 | L289-S293 VanDerWaalsContact O-CB 3.25Å; L289-S293 WeakPolarHBondContact O-CB 3.43Å; L289-S293 PolarHBondContact O-N 2.91Å; L289-S293 PolarHBondContact O-OG 2.86Å; K290-S293 WeakPolarHBondContact CA-OG 3.3Å; K290-S293 PolarHBondContact O-N 3.26Å; K290-S293 PolarHBondContact O-OG 3.27Å; S291-S293 PolarHBondContact O-N 2.69Å; S293-L296 WeakPolarHBondContact O-CB 3.22Å; S293-L296 PolarHBondContact O-N 3.25Å; S293-V297 WeakPolarHBondContact O-CG2 3.46Å; S293-V297 PolarHBondContact O-N 3.2Å; S293-S353 VanDerWaalsContact OG-CA 3.22Å; S293-S353 WeakPolarHBondContact OG-CA 3.43Å |
| 294 | D | 95.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 45 Ų | 45 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67 | -42.2 | 173.5 | -66.6 | -28.1 | 0 | 0 | 0 | 111.3 | K290 S291 L292 L296 V297 E298 S353 | K290-D294 IonicContact NZ-OD1 3.32Å; K290-D294 PolarHBondContact NZ-OD1 3.12Å; K290-D294 IonicContact NZ-OD2 3.61Å; K290-D294 PolarHBondContact NZ-OD2 2.92Å; K290-D294 PolarHBondContact O-N 3.25Å; K290-D294 VanDerWaalsContact O-N 3.11Å; S291-D294 PolarHBondContact O-N 3.24Å; L292-D294 VanDerWaalsContact C-N 3.3Å; L292-D294 PolarHBondContact O-N 3.02Å; D294-L296 VanDerWaalsContact C-N 3.29Å; D294-L296 PolarHBondContact O-N 3.27Å; D294-V297 WeakPolarHBondContact O-CB 3.46Å; D294-V297 PolarHBondContact O-N 2.96Å; D294-V297 VanDerWaalsContact O-N 3.13Å; D294-E298 WeakPolarHBondContact O-CG 3.5Å; D294-E298 PolarHBondContact O-N 3.12Å; D294-S353 PolarHBondContact OD1-OG 3.1Å |
| 295 | I | 96.9 | Very high | 95.6 | Very high | 67 Ų | 67 | 42.8 Ų | 42.8 | 34% | 0.344 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.2 | -42 | 173.5 | -63.1 | 167.3 | 0 | 0 | 0 | 110.3 | S291 L292 V297 E298 T299 | S291-I295 WeakPolarHBondContact O-CG1 3.3Å; S291-I295 PolarHBondContact O-N 3.24Å; L292-I295 HydrophobicContact CD2-CD1 4.42Å; L292-I295 WeakPolarHBondContact O-CB 3.34Å; L292-I295 PolarHBondContact O-N 3.49Å; I295-V297 VanDerWaalsContact C-N 3.34Å; I295-V297 PolarHBondContact O-N 3.08Å; I295-E298 PolarHBondContact O-N 3.41Å; I295-T299 HydrophobicContact CG2-CG2 4.4Å; I295-T299 WeakPolarHBondContact O-CB 3.41Å; I295-T299 WeakPolarHBondContact O-CG2 3.5Å; I295-T299 PolarHBondContact O-N 3.4Å; I295-T299 PolarHBondContact O-OG1 2.9Å |
| 296 | L | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.9 | -46.1 | 174.5 | -65.7 | -179.1 | 0 | 0 | 0 | 111.1 | L83 R212 F215 L292 S293 D294 T299 S300 F349 F352 | L83-L296 HydrophobicContact CD1-CD1 4.25Å; L83-L296 HydrophobicContact CD1-CD2 4.48Å; R212-L296 HydrophobicContact CG-CD2 3.71Å; F215-L296 HydrophobicContact CB-CD1 4.39Å; F215-L296 HydrophobicContact CD1-CD1 4.11Å; F215-L296 HydrophobicContact CD2-CD1 3.85Å; F215-L296 HydrophobicContact CE1-CD1 4.36Å; F215-L296 HydrophobicContact CE2-CD1 4.11Å; F215-L296 HydrophobicContact CG-CD1 3.85Å; F215-L296 HydrophobicContact CZ-CD1 4.36Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.91Å; S293-L296 WeakPolarHBondContact O-CB 3.22Å; S293-L296 PolarHBondContact O-N 3.25Å; D294-L296 VanDerWaalsContact C-N 3.29Å; D294-L296 PolarHBondContact O-N 3.27Å; L296-T299 CarbonylContact O-C 3.58Å; L296-T299 PolarHBondContact O-N 2.94Å; L296-S300 WeakPolarHBondContact O-CA 3.32Å; L296-S300 PolarHBondContact O-N 3.08Å; L296-F349 HydrophobicContact CB-CB 4.07Å; L296-F349 HydrophobicContact CB-CD1 4.37Å; L296-F349 HydrophobicContact CB-CD2 3.8Å; L296-F349 HydrophobicContact CB-CE2 4.26Å; L296-F349 HydrophobicContact CB-CG 3.85Å; L296-F349 HydrophobicContact CD1-CD1 4.41Å; L296-F349 WeakPolarHBondContact O-CD2 3.48Å; L296-F352 HydrophobicContact CD1-CD2 4.47Å |
| 297 | V | 94.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -52 | 178.1 | 180 | 0 | 0 | 0 | 0 | 111.1 | S293 D294 I295 T299 S300 F349 V350 | S293-V297 WeakPolarHBondContact O-CG2 3.46Å; S293-V297 PolarHBondContact O-N 3.2Å; D294-V297 WeakPolarHBondContact O-CB 3.46Å; D294-V297 PolarHBondContact O-N 2.96Å; D294-V297 VanDerWaalsContact O-N 3.13Å; I295-V297 VanDerWaalsContact C-N 3.34Å; I295-V297 PolarHBondContact O-N 3.08Å; V297-T299 PolarHBondContact O-N 3.16Å; V297-S300 VanDerWaalsContact O-CB 3.3Å; V297-S300 WeakPolarHBondContact O-CB 3.24Å; V297-S300 PolarHBondContact O-N 3.24Å; V297-S300 PolarHBondContact O-OG 3.18Å; V297-F349 HydrophobicContact CG2-CB 4Å; V297-V350 HydrophobicContact CG1-CG2 3.89Å; V297-V350 HydrophobicContact CG2-CG2 4.17Å |
| 298 | E | 94.8 | Very high | 94.8 | Very high | 159 Ų | 159 | 48.7 Ų | 48.7 | 74% | 0.743 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.9 | -36.2 | -179.4 | -71 | 178.7 | -177.1 | 0 | 0 | 112.4 | D294 I295 | D294-E298 WeakPolarHBondContact O-CG 3.5Å; D294-E298 PolarHBondContact O-N 3.12Å; I295-E298 PolarHBondContact O-N 3.41Å |
| 299 | T | 95.2 | Very high | 94.3 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 19.2 | -176.9 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | R212 I295 L296 V297 N301 I302 | R212-T299 PolarHBondContact NH1-OG1 3.15Å; R212-T299 PolarHBondContact NH2-O 2.97Å; R212-T299 PolarHBondContact NH2-OG1 3.32Å; I295-T299 HydrophobicContact CG2-CG2 4.4Å; I295-T299 WeakPolarHBondContact O-CB 3.41Å; I295-T299 WeakPolarHBondContact O-CG2 3.5Å; I295-T299 PolarHBondContact O-N 3.4Å; I295-T299 PolarHBondContact O-OG1 2.9Å; L296-T299 CarbonylContact O-C 3.58Å; L296-T299 PolarHBondContact O-N 2.94Å; V297-T299 PolarHBondContact O-N 3.16Å; T299-N301 PolarHBondContact O-N 2.78Å; T299-N301 VanDerWaalsContact O-N 3.13Å; T299-I302 VanDerWaalsContact O-CG1 3.32Å; T299-I302 WeakPolarHBondContact O-CG1 3.5Å; T299-I302 PolarHBondContact O-N 3Å |
| 300 | S | 93 | Very high | 93.9 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.6 | -175.2 | 49.5 | 0 | 0 | 0 | 0 | 114.8 | L296 V297 R345 H346 | L296-S300 WeakPolarHBondContact O-CA 3.32Å; L296-S300 PolarHBondContact O-N 3.08Å; V297-S300 VanDerWaalsContact O-CB 3.3Å; V297-S300 WeakPolarHBondContact O-CB 3.24Å; V297-S300 PolarHBondContact O-N 3.24Å; V297-S300 PolarHBondContact O-OG 3.18Å; S300-R345 WeakPolarHBondContact O-CD 3.43Å; S300-H346 PolarHBondContact OG-ND1 2.99Å |
| 301 | N | 92.8 | Very high | 93.4 | Very high | 121 Ų | 121 | 51.2 Ų | 51.2 | 65% | 0.647 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 4.1 | -172.1 | -61.3 | -34.2 | 0 | 0 | 0 | 114.5 | T299 | T299-N301 PolarHBondContact O-N 2.78Å; T299-N301 VanDerWaalsContact O-N 3.13Å |
| 302 | I | 94.2 | Very high | 92.7 | Very high | 36 Ų | 36 | 54.1 Ų | 54.1 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -83.3 | -25.7 | -170.6 | 70.9 | 179.4 | 0 | 0 | 0 | 113.8 | Y73 L76 L205 T299 | Y73-I302 WeakPolarHBondContact CD2-O 3.48Å; Y73-I302 WeakPolarHBondContact CE2-O 3.35Å; L76-I302 HydrophobicContact CD1-CD1 4.14Å; L76-I302 HydrophobicContact CD1-CG1 4.25Å; L205-I302 HydrophobicContact CD2-CB 4.03Å; L205-I302 HydrophobicContact CD2-CD1 4.47Å; L205-I302 HydrophobicContact CD2-CG1 4.21Å; L205-I302 WeakPolarHBondContact CD2-O 3.48Å; T299-I302 VanDerWaalsContact O-CG1 3.32Å; T299-I302 WeakPolarHBondContact O-CG1 3.5Å; T299-I302 PolarHBondContact O-N 3Å |
| 303 | G | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -89.8 | 165.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M305 R345 | G303-M305 PolarHBondContact O-N 2.84Å; G303-R345 PolarHBondContact O-NH1 3.43Å |
| 304 | K | 95 | Very high | 91.4 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 131.1 | 175.8 | -171.5 | 170 | 171.4 | 175.7 | 0 | 111.8 | Y73 E74 G77 L320 R345 | Y73-K304 HydrophobicContact CD1-CB 3.66Å; Y73-K304 HydrophobicContact CD1-CD 4.45Å; Y73-K304 HydrophobicContact CD1-CG 4.2Å; Y73-K304 VanDerWaalsContact CE1-CA 3.42Å; Y73-K304 HydrophobicContact CE1-CB 3.48Å; Y73-K304 VanDerWaalsContact CE1-CB 3.48Å; Y73-K304 HydrophobicContact CE1-CD 4.38Å; Y73-K304 HydrophobicContact CE1-CG 3.76Å; Y73-K304 HydrophobicContact CG-CB 4.31Å; Y73-K304 WeakPolarHBondContact O-CB 3.33Å; Y73-K304 PolarHBondContact O-N 3.37Å; E74-K304 HydrophobicContact CB-CD 4.18Å; E74-K304 HydrophobicContact CG-CD 4.09Å; E74-K304 IonicContact OE2-NZ 3.16Å; E74-K304 PolarHBondContact OE2-NZ 3.41Å; G77-K304 WeakPolarHBondContact CA-O 3.44Å; K304-L320 HydrophobicContact CB-CD2 3.95Å; K304-L320 HydrophobicContact CD-CD2 3.99Å; K304-L320 HydrophobicContact CG-CD2 3.8Å; K304-R345 PolarHBondContact O-NH1 3.46Å; K304-R345 PolarHBondContact O-NH2 3.08Å |
| 305 | M | 93.4 | Very high | 90.8 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 41% | 0.414 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 148.4 | 176.7 | -67.1 | -66.5 | 141.3 | 0 | 0 | 110.7 | G303 | G303-M305 PolarHBondContact O-N 2.84Š|
| 306 | A | 92.5 | Very high | 90.4 | Very high | 27 Ų | 27 | 61.3 Ų | 61.3 | 22% | 0.223 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -63 | 148.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | K310 Y318 L320 | A306-K310 HydrophobicContact CB-CB 3.95Å; A306-K310 HydrophobicContact CB-CD 3.68Å; A306-K310 HydrophobicContact CB-CG 4.43Å; A306-Y318 HydrophobicContact CB-CD1 4.14Å; A306-Y318 HydrophobicContact CB-CE1 3.67Å; A306-L320 HydrophobicContact CB-CD1 4.06Å |
| 307 | G | 91.7 | Very high | 89.9 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | trans | -79 | -176.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | G309 K310 Y318 | G307-G309 PolarHBondContact O-N 2.71Å; G307-G309 VanDerWaalsContact O-N 3.12Å; G307-K310 PolarHBondContact O-N 3.43Å; G307-K310 VanDerWaalsContact O-N 3.15Å; G307-Y318 WeakPolarHBondContact CA-O 3.11Å; G307-Y318 PolarHBondContact N-O 3.16Å | ||
| 308 | E | 88.1 | Confident | 89.8 | Confident | 145 Ų | 145 | 63.5 Ų | 63.5 | 68% | 0.678 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -59.9 | -26.1 | -177.7 | -62.7 | -170.2 | 170.1 | 0 | 0 | 113.5 | K310 L311 K312 A316 | E308-K310 PolarHBondContact O-N 2.87Å; E308-K310 VanDerWaalsContact O-N 3.16Å; E308-L311 PolarHBondContact O-N 2.69Å; E308-K312 PolarHBondContact O-N 3.12Å; E308-A316 HydrophobicContact CB-CB 4.16Å |
| 309 | G | 86.4 | Confident | 89.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -65.1 | -14 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G307 P313 A316 A317 | G307-G309 PolarHBondContact O-N 2.71Å; G307-G309 VanDerWaalsContact O-N 3.12Å; G309-P313 WeakPolarHBondContact O-CA 3.31Å; G309-P313 WeakPolarHBondContact O-CB 3.31Å; G309-P313 WeakPolarHBondContact O-CD 3.1Å; G309-P313 VanDerWaalsContact O-N 3.15Å; G309-A316 VanDerWaalsContact CA-O 3.25Å; G309-A316 WeakPolarHBondContact CA-O 3.32Å; G309-A317 WeakPolarHBondContact CA-O 3.26Å; G309-A317 PolarHBondContact N-O 3.13Å; G309-A317 VanDerWaalsContact N-O 3.14Å |
| 310 | K | 89.7 | Confident | 89.6 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 12% | 0.122 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -63.9 | -41.1 | 169 | 174.4 | 172.4 | 177.2 | 156.6 | 0 | 112.1 | E81 A306 G307 E308 Y318 I342 H343 | E81-K310 WeakPolarHBondContact OE1-CD 3.37Å; E81-K310 WeakPolarHBondContact OE1-CE 3.47Å; E81-K310 IonicContact OE1-NZ 3.71Å; E81-K310 PolarHBondContact OE1-NZ 2.82Å; E81-K310 IonicContact OE2-NZ 2.92Å; A306-K310 HydrophobicContact CB-CB 3.95Å; A306-K310 HydrophobicContact CB-CD 3.68Å; A306-K310 HydrophobicContact CB-CG 4.43Å; G307-K310 PolarHBondContact O-N 3.43Å; G307-K310 VanDerWaalsContact O-N 3.15Å; E308-K310 PolarHBondContact O-N 2.87Å; E308-K310 VanDerWaalsContact O-N 3.16Å; K310-Y318 HydrophobicContact CB-CD2 4.38Å; K310-Y318 HydrophobicContact CB-CE1 4.36Å; K310-Y318 HydrophobicContact CB-CE2 3.92Å; K310-Y318 HydrophobicContact CG-CE2 4.19Å; K310-I342 WeakPolarHBondContact CE-O 3.01Å; K310-H343 PolarHBondContact NZ-O 3.39Å |
| 311 | L | 84.4 | Confident | 89.6 | Confident | 134 Ų | 134 | 58 Ų | 58 | 70% | 0.702 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -27.3 | -179.2 | -64.6 | 172.4 | 0 | 0 | 0 | 112.2 | E308 P313 | E308-L311 PolarHBondContact O-N 2.69Å; L311-P313 VanDerWaalsContact C-CD 3.45Å |
| 312 | K | 84.8 | Confident | 89.6 | Confident | 120 Ų | 120 | 52.7 Ų | 52.7 | 52% | 0.522 | 30% | 0.297 | S | S | . | . | trans | -128.5 | 65.3 | -179.2 | -61.8 | -177.8 | -176.7 | 174.3 | 0 | 111 | E308 K314 D315 A316 | E308-K312 PolarHBondContact O-N 3.12Å; K312-K314 PolarHBondContact O-N 3.34Å; K312-K314 VanDerWaalsContact O-N 3.09Å; K312-D315 HydrophobicContact CB-CB 4.26Å; K312-D315 PolarHBondContact O-N 3.22Å; K312-A316 PolarHBondContact O-N 3.33Å | ||
| 313 | P | 85.2 | Confident | 89.7 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.4 | -173.1 | 22.8 | -33.1 | 0 | 0 | 0 | 114.2 | R50 G309 L311 V325 F326 V339 | R50-P313 VanDerWaalsContact CZ-O 3.28Å; R50-P313 PolarHBondContact NE-O 3.23Å; R50-P313 PolarHBondContact NH1-O 3.42Å; G309-P313 WeakPolarHBondContact O-CA 3.31Å; G309-P313 WeakPolarHBondContact O-CB 3.31Å; G309-P313 WeakPolarHBondContact O-CD 3.1Å; G309-P313 VanDerWaalsContact O-N 3.15Å; L311-P313 VanDerWaalsContact C-CD 3.45Å; P313-V325 HydrophobicContact CB-CB 3.82Å; P313-V325 HydrophobicContact CB-CG1 4.06Å; P313-V325 HydrophobicContact CB-CG2 3.85Å; P313-V325 HydrophobicContact CG-CB 4.44Å; P313-V325 HydrophobicContact CG-CG1 4.15Å; P313-F326 HydrophobicContact CB-CE2 3.94Å; P313-F326 HydrophobicContact CB-CZ 4.08Å; P313-F326 HydrophobicContact CG-CE2 4.49Å; P313-F326 HydrophobicContact CG-CZ 4.13Å; P313-V339 HydrophobicContact CG-CG1 4.03Å |
| 314 | K | 81.7 | Confident | 89.6 | Confident | 116 Ų | 116 | 52.1 Ų | 52.1 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -28.8 | 175 | -64.9 | -171.4 | 178.4 | -173.7 | 0 | 113.4 | K312 F326 | K312-K314 PolarHBondContact O-N 3.34Å; K312-K314 VanDerWaalsContact O-N 3.09Å; K314-F326 HydrophobicContact CG-CE2 4.06Å; K314-F326 HydrophobicContact CG-CZ 3.64Å |
| 315 | D | 83.4 | Confident | 89.4 | Confident | 129 Ų | 129 | 50 Ų | 50 | 69% | 0.69 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -29.7 | -167.2 | -55.4 | -35.4 | 0 | 0 | 0 | 112.6 | K312 | K312-D315 HydrophobicContact CB-CB 4.26Å; K312-D315 PolarHBondContact O-N 3.22Å |
| 316 | A | 87.2 | Confident | 89.1 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 22% | 0.223 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -140 | 156.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R50 E308 G309 K312 | R50-A316 PolarHBondContact NH1-O 3.46Å; E308-A316 HydrophobicContact CB-CB 4.16Å; G309-A316 VanDerWaalsContact CA-O 3.25Å; G309-A316 WeakPolarHBondContact CA-O 3.32Å; K312-A316 PolarHBondContact O-N 3.33Å |
| 317 | A | 87.4 | Confident | 88.9 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 59% | 0.587 | 27% | 0.265 | S | S | * | . | trans | -62.9 | 151.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | R50 G309 G319 | R50-A317 VanDerWaalsContact NH1-CA 3.31Å; G309-A317 WeakPolarHBondContact CA-O 3.26Å; G309-A317 PolarHBondContact N-O 3.13Å; G309-A317 VanDerWaalsContact N-O 3.14Å; A317-G319 PolarHBondContact O-N 2.82Å; A317-G319 VanDerWaalsContact O-N 3.11Å | ||
| 318 | Y | 92.3 | Very high | 88.7 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | trans | -59.7 | -25.3 | 179.8 | -158 | -86.8 | 0 | 0 | 0 | 112.8 | E81 I101 A306 G307 K310 L320 F323 V325 | E81-Y318 HydrophobicContact CG-CE1 3.75Å; E81-Y318 PolarHBondContact OE1-OH 2.84Å; I101-Y318 HydrophobicContact CD1-CE2 4.2Å; A306-Y318 HydrophobicContact CB-CD1 4.14Å; A306-Y318 HydrophobicContact CB-CE1 3.67Å; G307-Y318 WeakPolarHBondContact CA-O 3.11Å; G307-Y318 PolarHBondContact N-O 3.16Å; K310-Y318 HydrophobicContact CB-CD2 4.38Å; K310-Y318 HydrophobicContact CB-CE1 4.36Å; K310-Y318 HydrophobicContact CB-CE2 3.92Å; K310-Y318 HydrophobicContact CG-CE2 4.19Å; Y318-L320 VanDerWaalsContact C-N 3.26Å; Y318-L320 HydrophobicContact CD1-CB 4.19Å; Y318-L320 HydrophobicContact CE1-CD1 4.41Å; Y318-L320 PolarHBondContact O-N 2.84Å; Y318-F323 WeakPolarHBondContact CB-O 3.44Å; Y318-F323 HydrophobicContact CD1-CB 3.43Å; Y318-F323 VanDerWaalsContact CD1-CB 3.43Å; Y318-F323 HydrophobicContact CD1-CD1 4.45Å; Y318-F323 HydrophobicContact CD1-CD2 4.41Å; Y318-F323 AromaticContact CD1-CG 3.88Å; Y318-F323 HydrophobicContact CD1-CG 3.88Å; Y318-F323 HydrophobicContact CD2-CB 4.02Å; Y318-F323 HydrophobicContact CE1-CB 3.93Å; Y318-F323 HydrophobicContact CE1-CD1 4.09Å; Y318-F323 AromaticContact CE1-CG 3.95Å; Y318-F323 HydrophobicContact CE1-CG 3.95Å; Y318-F323 HydrophobicContact CE2-CB 4.42Å; Y318-F323 HydrophobicContact CG-CB 3.48Å; Y318-F323 VanDerWaalsContact CG-CB 3.48Å; Y318-F323 HydrophobicContact CG-CG 4.38Å; Y318-V325 HydrophobicContact CD2-CG2 3.68Å; Y318-V325 HydrophobicContact CE2-CG2 3.78Å | ||
| 319 | G | 91.2 | Very high | 88.4 | Confident | 41 Ų | 41 | 39.8 Ų | 39.8 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 85.7 | -21.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A317 | A317-G319 PolarHBondContact O-N 2.82Å; A317-G319 VanDerWaalsContact O-N 3.11Å |
| 320 | L | 93.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -97.5 | 140.2 | 165.3 | -70.3 | 168.1 | 0 | 0 | 0 | 109.7 | E81 K304 A306 Y318 F323 | E81-L320 HydrophobicContact CB-CD1 3.8Å; E81-L320 HydrophobicContact CG-CD1 3.91Å; K304-L320 HydrophobicContact CB-CD2 3.95Å; K304-L320 HydrophobicContact CD-CD2 3.99Å; K304-L320 HydrophobicContact CG-CD2 3.8Å; A306-L320 HydrophobicContact CB-CD1 4.06Å; Y318-L320 VanDerWaalsContact C-N 3.26Å; Y318-L320 HydrophobicContact CD1-CB 4.19Å; Y318-L320 HydrophobicContact CE1-CD1 4.41Å; Y318-L320 PolarHBondContact O-N 2.84Å; L320-F323 HydrophobicContact CB-CD2 3.82Å; L320-F323 HydrophobicContact CB-CE2 4.22Å |
| 321 | P | 92.7 | Very high | 87.7 | Confident | 25 Ų | 25 | 45.4 Ų | 45.4 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 144.3 | 179.7 | 30.9 | -38.2 | 0 | 0 | 0 | 111 | P65 F69 E74 I78 F323 | P65-P321 HydrophobicContact CG-CB 3.74Å; P65-P321 HydrophobicContact CG-CG 4.34Å; F69-P321 HydrophobicContact CE1-CG 4.22Å; E74-P321 HydrophobicContact CG-CG 4.25Å; E74-P321 WeakPolarHBondContact OE1-CG 3.44Å; I78-P321 HydrophobicContact CD1-CG 3.59Å; I78-P321 HydrophobicContact CG1-CG 4Å; P321-F323 VanDerWaalsContact C-N 3.33Å; P321-F323 WeakPolarHBondContact O-CD2 3.07Å; P321-F323 PolarHBondContact O-N 2.86Å |
| 322 | G | 94.1 | Very high | 87.5 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 4.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | L64 C102 M103 | L64-G322 VanDerWaalsContact CD1-CA 3.42Å; C102-G322 CarbonylContact C-O 3.51Å; C102-G322 WeakPolarHBondContact CA-O 3.3Å; M103-G322 WeakPolarHBondContact CB-O 3.01Å; M103-G322 WeakPolarHBondContact CG-O 3.1Å; M103-G322 PolarHBondContact N-O 2.87Å |
| 323 | F | 95 | Very high | 87.1 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -103.3 | 124.7 | 175.4 | -71.2 | -97.4 | 0 | 0 | 0 | 112 | I78 E81 L82 I101 C102 Y318 L320 P321 | I78-F323 HydrophobicContact CB-CE2 4.34Å; I78-F323 HydrophobicContact CG1-CE2 4.49Å; I78-F323 HydrophobicContact CG2-CE2 3.95Å; I78-F323 HydrophobicContact CG2-CZ 4.39Å; E81-F323 HydrophobicContact CB-CE1 4.05Å; E81-F323 HydrophobicContact CB-CE2 4.26Å; E81-F323 HydrophobicContact CB-CZ 3.68Å; E81-F323 HydrophobicContact CG-CD1 4.25Å; E81-F323 HydrophobicContact CG-CE1 3.75Å; E81-F323 HydrophobicContact CG-CE2 4.43Å; E81-F323 HydrophobicContact CG-CZ 3.86Å; L82-F323 HydrophobicContact CG-CZ 4.12Å; I101-F323 HydrophobicContact CD1-CD1 4.17Å; I101-F323 HydrophobicContact CG1-CD1 3.9Å; I101-F323 WeakPolarHBondContact O-CA 3.38Å; C102-F323 HydrophobicContact CB-CD1 4.15Å; C102-F323 HydrophobicContact CB-CE1 3.78Å; C102-F323 HydrophobicContact CB-CZ 4.12Å; Y318-F323 WeakPolarHBondContact CB-O 3.44Å; Y318-F323 HydrophobicContact CD1-CB 3.43Å; Y318-F323 VanDerWaalsContact CD1-CB 3.43Å; Y318-F323 HydrophobicContact CD1-CD1 4.45Å; Y318-F323 HydrophobicContact CD1-CD2 4.41Å; Y318-F323 AromaticContact CD1-CG 3.88Å; Y318-F323 HydrophobicContact CD1-CG 3.88Å; Y318-F323 HydrophobicContact CD2-CB 4.02Å; Y318-F323 HydrophobicContact CE1-CB 3.93Å; Y318-F323 HydrophobicContact CE1-CD1 4.09Å; Y318-F323 AromaticContact CE1-CG 3.95Å; Y318-F323 HydrophobicContact CE1-CG 3.95Å; Y318-F323 HydrophobicContact CE2-CB 4.42Å; Y318-F323 HydrophobicContact CG-CB 3.48Å; Y318-F323 VanDerWaalsContact CG-CB 3.48Å; Y318-F323 HydrophobicContact CG-CG 4.38Å; L320-F323 HydrophobicContact CB-CD2 3.82Å; L320-F323 HydrophobicContact CB-CE2 4.22Å; P321-F323 VanDerWaalsContact C-N 3.33Å; P321-F323 WeakPolarHBondContact O-CD2 3.07Å; P321-F323 PolarHBondContact O-N 2.86Å |
| 324 | E | 92.1 | Very high | 86.5 | Confident | 13 Ų | 13 | 37.7 Ų | 37.7 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | trans | -138.5 | 105.2 | 176.6 | 174.7 | 52.8 | -112.5 | 0 | 0 | 109.7 | R50 I52 I101 M103 F326 L327 | R50-E324 IonicContact CZ-OE1 3.87Å; R50-E324 IonicContact CZ-OE2 3.58Å; R50-E324 IonicContact NH2-OE1 2.66Å; R50-E324 PolarHBondContact NH2-OE1 3.2Å; R50-E324 IonicContact NH2-OE2 2.62Å; R50-E324 PolarHBondContact NH2-OE2 2.99Å; I52-E324 HydrophobicContact CG2-CG 3.76Å; I101-E324 WeakPolarHBondContact CB-O 3.46Å; I101-E324 PolarHBondContact O-N 3.18Å; M103-E324 HydrophobicContact CE-CB 3.69Å; M103-E324 HydrophobicContact CE-CG 4.36Å; E324-F326 PolarHBondContact O-N 3.19Å; E324-F326 VanDerWaalsContact O-N 3.16Å; E324-F326 PolarHBondContact OE1-N 2.81Å; E324-F326 VanDerWaalsContact OE1-N 3.12Å; E324-L327 HydrophobicContact CB-CB 4.08Å; E324-L327 HydrophobicContact CG-CB 3.96Å; E324-L327 HydrophobicContact CG-CD1 4.37Å; E324-L327 WeakPolarHBondContact O-CB 3.19Å; E324-L327 PolarHBondContact O-N 3.16Å; E324-L327 VanDerWaalsContact O-N 3.12Å | ||
| 325 | V | 90 | Very high | 86 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.6 | -174.7 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | I101 P313 Y318 V339 | I101-V325 HydrophobicContact CD1-CG2 4.48Å; P313-V325 HydrophobicContact CB-CB 3.82Å; P313-V325 HydrophobicContact CB-CG1 4.06Å; P313-V325 HydrophobicContact CB-CG2 3.85Å; P313-V325 HydrophobicContact CG-CB 4.44Å; P313-V325 HydrophobicContact CG-CG1 4.15Å; Y318-V325 HydrophobicContact CD2-CG2 3.68Å; Y318-V325 HydrophobicContact CE2-CG2 3.78Å; V325-V339 HydrophobicContact CG1-CG1 3.73Å; V325-V339 HydrophobicContact CG1-CG2 4.5Å |
| 326 | F | 87.2 | Confident | 85.3 | Confident | 14 Ų | 14 | 33 Ų | 33 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 9 | -176.4 | -59.4 | -55.3 | 0 | 0 | 0 | 114 | I52 P313 K314 E324 N328 Q329 V339 | I52-F326 HydrophobicContact CD1-CB 3.18Å; I52-F326 HydrophobicContact CD1-CD2 4.17Å; I52-F326 HydrophobicContact CD1-CG 3.99Å; I52-F326 HydrophobicContact CG1-CB 3.9Å; I52-F326 HydrophobicContact CG1-CD2 4.29Å; P313-F326 HydrophobicContact CB-CE2 3.94Å; P313-F326 HydrophobicContact CB-CZ 4.08Å; P313-F326 HydrophobicContact CG-CE2 4.49Å; P313-F326 HydrophobicContact CG-CZ 4.13Å; K314-F326 HydrophobicContact CG-CE2 4.06Å; K314-F326 HydrophobicContact CG-CZ 3.64Å; E324-F326 PolarHBondContact O-N 3.19Å; E324-F326 VanDerWaalsContact O-N 3.16Å; E324-F326 PolarHBondContact OE1-N 2.81Å; E324-F326 VanDerWaalsContact OE1-N 3.12Å; F326-N328 VanDerWaalsContact C-N 3.3Å; F326-N328 PolarHBondContact O-N 3.24Å; F326-Q329 HydrophobicContact CB-CG 4.22Å; F326-Q329 HydrophobicContact CD1-CG 4.09Å; F326-Q329 PolarHBondContact O-N 2.99Å; F326-V339 HydrophobicContact CD1-CG2 4.09Å; F326-V339 HydrophobicContact CE1-CG2 3.31Å; F326-V339 HydrophobicContact CZ-CG2 4.09Å |
| 327 | L | 88.9 | Confident | 84.3 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -42.6 | -170.9 | -172.9 | 60.1 | 0 | 0 | 0 | 113.1 | V55 M103 H106 E324 | V55-L327 HydrophobicContact CG2-CD1 3.95Å; V55-L327 HydrophobicContact CG2-CD2 3.95Å; V55-L327 HydrophobicContact CG2-CG 4.36Å; M103-L327 HydrophobicContact CE-CD1 4.16Å; M103-L327 HydrophobicContact CG-CD2 3.8Å; H106-L327 WeakPolarHBondContact NE2-CD2 3.44Å; E324-L327 HydrophobicContact CB-CB 4.08Å; E324-L327 HydrophobicContact CG-CB 3.96Å; E324-L327 HydrophobicContact CG-CD1 4.37Å; E324-L327 WeakPolarHBondContact O-CB 3.19Å; E324-L327 PolarHBondContact O-N 3.16Å; E324-L327 VanDerWaalsContact O-N 3.12Å |
| 328 | N | 88.2 | Confident | 83.4 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 16 | -171.6 | -52.6 | -47.9 | 0 | 0 | 0 | 113.5 | A96 F100 H106 M152 F326 A330 S331 I332 | A96-N328 HydrophobicContact CB-CB 3.92Å; A96-N328 PolarHBondContact O-ND2 2.93Å; F100-N328 VanDerWaalsContact C-ND2 3.33Å; F100-N328 PolarHBondContact O-ND2 3.23Å; H106-N328 PolarHBondContact CE1-OD1 2.99Å; H106-N328 PolarHBondContact NE2-OD1 3.4Å; M152-N328 HydrophobicContact CE-CB 4.1Å; M152-N328 HydrophobicContact SD-CB 4.28Å; M152-N328 VanDerWaalsContact SD-CG 3.58Å; F326-N328 VanDerWaalsContact C-N 3.3Å; F326-N328 PolarHBondContact O-N 3.24Å; N328-A330 PolarHBondContact O-N 3.13Å; N328-S331 WeakPolarHBondContact O-CB 3.48Å; N328-S331 PolarHBondContact O-N 3.3Å; N328-I332 HydrophobicContact CB-CD1 4.42Å; N328-I332 WeakPolarHBondContact O-CD1 3.23Å; N328-I332 WeakPolarHBondContact O-CG1 3.39Å |
| 329 | Q | 81.8 | Confident | 82.7 | Confident | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.7 | -175.9 | -83 | -163.4 | -30.7 | 0 | 0 | 114.1 | A44 F326 S331 K338 | A44-Q329 HydrophobicContact CB-CB 4.17Å; A44-Q329 PolarHBondContact O-OE1 3.3Å; F326-Q329 HydrophobicContact CB-CG 4.22Å; F326-Q329 HydrophobicContact CD1-CG 4.09Å; F326-Q329 PolarHBondContact O-N 2.99Å; Q329-S331 VanDerWaalsContact C-N 3.33Å; Q329-K338 PolarHBondContact NE2-O 2.75Å; Q329-K338 VanDerWaalsContact NE2-O 3.08Å |
| 330 | A | 79.1 | Confident | 82.2 | Confident | 87 Ų | 87 | 35.5 Ų | 35.5 | 72% | 0.719 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -20.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N328 | N328-A330 PolarHBondContact O-N 3.13Š|
| 331 | S | 80.9 | Confident | 81.8 | Confident | 59 Ų | 59 | 39.7 Ų | 39.7 | 41% | 0.413 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -15.2 | -178.9 | -52.1 | 0 | 0 | 0 | 0 | 112.7 | H150 N328 Q329 | H150-S331 WeakPolarHBondContact O-CB 3.45Å; N328-S331 WeakPolarHBondContact O-CB 3.48Å; N328-S331 PolarHBondContact O-N 3.3Å; Q329-S331 VanDerWaalsContact C-N 3.33Å |
| 332 | I | 80.4 | Confident | 81.6 | Confident | 22 Ų | 22 | 39 Ų | 39 | 11% | 0.113 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -96.4 | 134.9 | -172.9 | -60.3 | 152.5 | 0 | 0 | 0 | 109.5 | A96 Q97 N328 L336 | A96-I332 HydrophobicContact CB-CD1 3.82Å; A96-I332 HydrophobicContact CB-CG1 3.62Å; Q97-I332 HydrophobicContact CG-CD1 3.29Å; Q97-I332 HydrophobicContact CG-CG1 4.31Å; N328-I332 HydrophobicContact CB-CD1 4.42Å; N328-I332 WeakPolarHBondContact O-CD1 3.23Å; N328-I332 WeakPolarHBondContact O-CG1 3.39Å; I332-L336 HydrophobicContact CG2-CB 3.62Å; I332-L336 HydrophobicContact CG2-CD1 3.53Å; I332-L336 HydrophobicContact CG2-CG 4.2Å |
| 333 | P | 77.3 | Confident | 81.2 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 23% | 0.234 | 23% | 0.229 | C | C | . | . | trans | -54.7 | 148 | 172.4 | -26.4 | 31.3 | 0 | 0 | 0 | 113.8 | F335 L336 | P333-F335 HydrophobicContact CB-CD1 3.63Å; P333-F335 HydrophobicContact CB-CE1 3.15Å; P333-F335 HydrophobicContact CB-CE2 4.15Å; P333-F335 HydrophobicContact CB-CG 4.32Å; P333-F335 HydrophobicContact CB-CZ 3.44Å; P333-F335 VanDerWaalsContact CB-CZ 3.44Å; P333-F335 HydrophobicContact CG-CE1 3.93Å; P333-F335 HydrophobicContact CG-CZ 3.82Å; P333-F335 PolarHBondContact O-N 3.45Å; P333-F335 VanDerWaalsContact O-N 3.17Å; P333-L336 PolarHBondContact O-N 3.03Å | ||
| 334 | P | 71.2 | Confident | 80.9 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 28% | 0.279 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.7 | -173.2 | 29.7 | -39.3 | 0 | 0 | 0 | 114.9 | I35 | I35-P334 HydrophobicContact CD1-CB 3.53Å; I35-P334 HydrophobicContact CD1-CG 3.57Å; I35-P334 HydrophobicContact CG1-CB 3.44Å; I35-P334 VanDerWaalsContact CG1-CB 3.44Å; I35-P334 HydrophobicContact CG1-CG 3.46Å; I35-P334 VanDerWaalsContact CG1-CG 3.46Å |
| 335 | F | 71.8 | Confident | 80.8 | Confident | 118 Ų | 118 | 42.9 Ų | 42.9 | 52% | 0.518 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -20.1 | 179.4 | 59 | -102.8 | 0 | 0 | 0 | 112.8 | E142 P333 | E142-F335 HydrophobicContact CG-CE2 4.4Å; E142-F335 WeakPolarHBondContact OE1-CE2 3.31Å; E142-F335 WeakPolarHBondContact OE1-CZ 3.27Å; P333-F335 HydrophobicContact CB-CD1 3.63Å; P333-F335 HydrophobicContact CB-CE1 3.15Å; P333-F335 HydrophobicContact CB-CE2 4.15Å; P333-F335 HydrophobicContact CB-CG 4.32Å; P333-F335 HydrophobicContact CB-CZ 3.44Å; P333-F335 VanDerWaalsContact CB-CZ 3.44Å; P333-F335 HydrophobicContact CG-CE1 3.93Å; P333-F335 HydrophobicContact CG-CZ 3.82Å; P333-F335 PolarHBondContact O-N 3.45Å; P333-F335 VanDerWaalsContact O-N 3.17Å |
| 336 | L | 68.8 | Low | 80.9 | Confident | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -73.8 | 142.4 | 177 | -80 | 166.6 | 0 | 0 | 0 | 110.3 | I332 P333 K338 | I332-L336 HydrophobicContact CG2-CB 3.62Å; I332-L336 HydrophobicContact CG2-CD1 3.53Å; I332-L336 HydrophobicContact CG2-CG 4.2Å; P333-L336 PolarHBondContact O-N 3.03Å; L336-K338 PolarHBondContact O-N 3.19Å; L336-K338 VanDerWaalsContact O-N 3.11Å |
| 337 | P | 66.4 | Low | 80.9 | Confident | 93 Ų | 93 | 46.7 Ų | 46.7 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | trans | -55.6 | 120.8 | 178.2 | -21 | 30.3 | 0 | 0 | 0 | 110.1 | Q97 V339 | Q97-P337 PolarHBondContact NE2-O 3.32Å; P337-V339 PolarHBondContact O-N 2.6Å | ||
| 338 | K | 68.9 | Low | 81 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 22% | 0.222 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -58.5 | -17.6 | -170.3 | -72.8 | -175 | 176.8 | 175 | 0 | 116.2 | P40 K41 M42 D43 Q329 L336 | P40-K338 PolarHBondContact O-NZ 3.08Å; P40-K338 VanDerWaalsContact O-NZ 3.12Å; K41-K338 WeakPolarHBondContact O-CE 3.2Å; K41-K338 PolarHBondContact O-NZ 2.7Å; M42-K338 WeakPolarHBondContact O-CE 3.24Å; M42-K338 PolarHBondContact O-NZ 2.97Å; D43-K338 PolarHBondContact O-NZ 2.84Å; Q329-K338 PolarHBondContact NE2-O 2.75Å; Q329-K338 VanDerWaalsContact NE2-O 3.08Å; L336-K338 PolarHBondContact O-N 3.19Å; L336-K338 VanDerWaalsContact O-N 3.11Å |
| 339 | V | 77.7 | Confident | 81.3 | Confident | 45 Ų | 45 | 44.8 Ų | 44.8 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | trans | -141.7 | 117.9 | -178.4 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | P313 V325 F326 P337 | P313-V339 HydrophobicContact CG-CG1 4.03Å; V325-V339 HydrophobicContact CG1-CG1 3.73Å; V325-V339 HydrophobicContact CG1-CG2 4.5Å; F326-V339 HydrophobicContact CD1-CG2 4.09Å; F326-V339 HydrophobicContact CE1-CG2 3.31Å; F326-V339 HydrophobicContact CZ-CG2 4.09Å; P337-V339 PolarHBondContact O-N 2.6Å | ||
| 340 | A | 80.7 | Confident | 81.7 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | trans | -87.4 | 134.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | D93 Q97 | D93-A340 HydrophobicContact CB-CB 4.28Å; Q97-A340 HydrophobicContact CB-CB 3.87Å | ||
| 341 | N | 84.2 | Confident | 82.2 | Confident | 96 Ų | 96 | 41 Ų | 41 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | trans | -87.7 | 111.7 | 174.8 | -72.6 | -37.4 | 0 | 0 | 0 | 109.2 | N88 H343 | N88-N341 PolarHBondContact ND2-O 3.44Å; N341-H343 PolarHBondContact O-N 3.47Å | ||
| 342 | I | 88.7 | Confident | 82.8 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 130.7 | 175.8 | -57.4 | -55.2 | 0 | 0 | 0 | 109.9 | E81 A84 A85 N88 I101 K310 | E81-I342 WeakPolarHBondContact OE1-CG2 3.49Å; A84-I342 HydrophobicContact CB-CG2 3.91Å; A85-I342 HydrophobicContact CB-CD1 3.94Å; A85-I342 HydrophobicContact CB-CG2 4.48Å; N88-I342 HydrophobicContact CB-CD1 4.4Å; N88-I342 WeakPolarHBondContact OD1-CA 3.24Å; I101-I342 HydrophobicContact CD1-CD1 3.85Å; I101-I342 HydrophobicContact CD1-CG1 3.61Å; K310-I342 WeakPolarHBondContact CE-O 3.01Å |
| 343 | H | 86.7 | Confident | 83.3 | Confident | 19 Ų | 19 | 38 Ų | 38 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 159.3 | -175.8 | -67.7 | 165.6 | 0 | 0 | 0 | 112.6 | N88 T91 K310 N341 R345 S348 Y399 L403 | N88-H343 PolarHBondContact ND2-CD2 3.43Å; N88-H343 PolarHBondContact ND2-NE2 3.24Å; N88-H343 WeakPolarHBondContact OD1-CB 3.1Å; N88-H343 PolarHBondContact OD1-CD2 3.04Å; N88-H343 PolarHBondContact OD1-N 2.83Å; N88-H343 PolarHBondContact OD1-ND1 3.28Å; T91-H343 PolarHBondContact OG1-CE1 2.99Å; T91-H343 VanDerWaalsContact OG1-CE1 3.24Å; K310-H343 PolarHBondContact NZ-O 3.39Å; N341-H343 PolarHBondContact O-N 3.47Å; H343-R345 PolarHBondContact O-N 3.23Å; H343-S348 VanDerWaalsContact CB-OG 3.29Å; H343-S348 WeakPolarHBondContact CB-OG 3.26Å; H343-Y399 PolarHBondContact ND1-OH 3.18Å; H343-L403 WeakPolarHBondContact CE1-CD1 3.38Å; H343-L403 WeakPolarHBondContact NE2-CD1 3.22Å; H343-L403 VanDerWaalsContact NE2-CD2 3.34Å; H343-L403 WeakPolarHBondContact NE2-CD2 3.33Å |
| 344 | N | 88.3 | Confident | 83.9 | Confident | 89 Ų | 89 | 37.2 Ų | 37.2 | 48% | 0.476 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 129.7 | 169.9 | 176 | -84.5 | 0 | 0 | 0 | 109.6 | H346 K347 S348 | N344-H346 PolarHBondContact O-N 3.47Å; N344-H346 WeakPolarHBondContact OD1-CB 3.25Å; N344-H346 PolarHBondContact OD1-N 3.38Å; N344-K347 HydrophobicContact CB-CB 4.23Å; N344-K347 HydrophobicContact CB-CD 4.25Å; N344-K347 HydrophobicContact CB-CG 4.09Å; N344-K347 PolarHBondContact O-N 3.1Å; N344-K347 VanDerWaalsContact O-N 3.13Å; N344-K347 PolarHBondContact OD1-N 3.27Å; N344-S348 PolarHBondContact O-N 3.46Å; N344-S348 PolarHBondContact O-OG 3.2Å |
| 345 | R | 90.4 | Very high | 84.9 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.2 | -50.5 | -177.5 | -179.8 | -173.7 | -60.7 | -174.1 | 10.1 | 113.5 | D80 E81 S300 G303 K304 H343 K347 S348 F349 | D80-R345 HydrophobicContact CB-CG 4.1Å; D80-R345 VanDerWaalsContact CB-CZ 3.45Å; D80-R345 VanDerWaalsContact CB-NE 3.3Å; D80-R345 WeakPolarHBondContact OD2-CD 3.38Å; D80-R345 IonicContact OD2-CZ 3.43Å; D80-R345 IonicContact OD2-NE 3.65Å; D80-R345 IonicContact OD2-NH1 2.68Å; D80-R345 PolarHBondContact OD2-NH1 2.88Å; E81-R345 IonicContact OE2-NH2 3.66Å; S300-R345 WeakPolarHBondContact O-CD 3.43Å; G303-R345 PolarHBondContact O-NH1 3.43Å; K304-R345 PolarHBondContact O-NH1 3.46Å; K304-R345 PolarHBondContact O-NH2 3.08Å; H343-R345 PolarHBondContact O-N 3.23Å; R345-K347 VanDerWaalsContact C-N 3.34Å; R345-K347 PolarHBondContact O-N 3.47Å; R345-S348 WeakPolarHBondContact O-CB 3.08Å; R345-S348 PolarHBondContact O-N 3.2Å; R345-F349 HydrophobicContact CG-CD2 4.21Å; R345-F349 HydrophobicContact CG-CE1 4.3Å; R345-F349 HydrophobicContact CG-CE2 3.65Å; R345-F349 HydrophobicContact CG-CZ 3.71Å; R345-F349 WeakPolarHBondContact O-CG 3.48Å; R345-F349 PolarHBondContact O-N 2.86Å |
| 346 | H | 90.9 | Very high | 85.9 | Confident | 59 Ų | 59 | 30 Ų | 30 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.4 | -46.4 | -180 | -178 | 79.5 | 0 | 0 | 0 | 110.8 | S300 N344 S348 F349 V350 | S300-H346 PolarHBondContact OG-ND1 2.99Å; N344-H346 PolarHBondContact O-N 3.47Å; N344-H346 WeakPolarHBondContact OD1-CB 3.25Å; N344-H346 PolarHBondContact OD1-N 3.38Å; H346-S348 VanDerWaalsContact C-N 3.32Å; H346-S348 PolarHBondContact O-N 3.36Å; H346-F349 PolarHBondContact O-N 3.48Å; H346-F349 VanDerWaalsContact O-N 3.13Å; H346-V350 WeakPolarHBondContact O-CG2 3.46Å; H346-V350 PolarHBondContact O-N 3.21Å |
| 347 | K | 88.1 | Confident | 87 | Confident | 48 Ų | 48 | 31.1 Ų | 31.1 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -38.3 | 177 | -61.3 | -170.3 | -176.1 | -171.3 | 0 | 112.4 | N344 R345 F349 V350 Y351 Y399 V412 P415 | N344-K347 HydrophobicContact CB-CB 4.23Å; N344-K347 HydrophobicContact CB-CD 4.25Å; N344-K347 HydrophobicContact CB-CG 4.09Å; N344-K347 PolarHBondContact O-N 3.1Å; N344-K347 VanDerWaalsContact O-N 3.13Å; N344-K347 PolarHBondContact OD1-N 3.27Å; R345-K347 VanDerWaalsContact C-N 3.34Å; R345-K347 PolarHBondContact O-N 3.47Å; K347-F349 VanDerWaalsContact C-N 3.34Å; K347-F349 PolarHBondContact O-N 3.4Å; K347-V350 PolarHBondContact O-N 3.27Å; K347-Y351 PolarHBondContact O-N 2.93Å; K347-Y399 HydrophobicContact CB-CE2 3.91Å; K347-Y399 HydrophobicContact CD-CE2 4.36Å; K347-V412 HydrophobicContact CD-CB 4.48Å; K347-V412 HydrophobicContact CD-CG1 4.26Å; K347-V412 PolarHBondContact NZ-O 2.87Å; K347-P415 WeakPolarHBondContact O-CG 3.43Å |
| 348 | S | 91 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 173.8 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | H343 N344 R345 H346 Y351 F352 | H343-S348 VanDerWaalsContact CB-OG 3.29Å; H343-S348 WeakPolarHBondContact CB-OG 3.26Å; N344-S348 PolarHBondContact O-N 3.46Å; N344-S348 PolarHBondContact O-OG 3.2Å; R345-S348 WeakPolarHBondContact O-CB 3.08Å; R345-S348 PolarHBondContact O-N 3.2Å; H346-S348 VanDerWaalsContact C-N 3.32Å; H346-S348 PolarHBondContact O-N 3.36Å; S348-Y351 WeakPolarHBondContact O-CB 3.06Å; S348-Y351 PolarHBondContact O-N 2.96Å; S348-F352 PolarHBondContact O-N 3.31Å; S348-F352 VanDerWaalsContact O-N 3.16Å |
| 349 | F | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.6 | -38.1 | 177.7 | -62 | -13.6 | 0 | 0 | 0 | 112.5 | D80 L83 L296 V297 R345 H346 K347 Y351 F352 S353 | D80-F349 HydrophobicContact CB-CZ 3.94Å; D80-F349 WeakPolarHBondContact OD1-CZ 3.37Å; L83-F349 HydrophobicContact CB-CE1 3.71Å; L83-F349 HydrophobicContact CB-CZ 4.42Å; L83-F349 HydrophobicContact CD1-CE1 3.91Å; L83-F349 HydrophobicContact CD1-CZ 4.16Å; L83-F349 HydrophobicContact CG-CE1 4.48Å; L296-F349 HydrophobicContact CB-CB 4.07Å; L296-F349 HydrophobicContact CB-CD1 4.37Å; L296-F349 HydrophobicContact CB-CD2 3.8Å; L296-F349 HydrophobicContact CB-CE2 4.26Å; L296-F349 HydrophobicContact CB-CG 3.85Å; L296-F349 HydrophobicContact CD1-CD1 4.41Å; L296-F349 WeakPolarHBondContact O-CD2 3.48Å; V297-F349 HydrophobicContact CG2-CB 4Å; R345-F349 HydrophobicContact CG-CD2 4.21Å; R345-F349 HydrophobicContact CG-CE1 4.3Å; R345-F349 HydrophobicContact CG-CE2 3.65Å; R345-F349 HydrophobicContact CG-CZ 3.71Å; R345-F349 WeakPolarHBondContact O-CG 3.48Å; R345-F349 PolarHBondContact O-N 2.86Å; H346-F349 PolarHBondContact O-N 3.48Å; H346-F349 VanDerWaalsContact O-N 3.13Å; K347-F349 VanDerWaalsContact C-N 3.34Å; K347-F349 PolarHBondContact O-N 3.4Å; F349-Y351 PolarHBondContact O-N 2.91Å; F349-F352 HydrophobicContact CD1-CD2 4.12Å; F349-F352 HydrophobicContact CD1-CE2 4.23Å; F349-F352 PolarHBondContact O-N 2.99Å; F349-S353 PolarHBondContact O-N 3.45Å; F349-S353 VanDerWaalsContact O-N 3.1Å |
| 350 | V | 90.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 26.1 Ų | 26.1 | 11% | 0.109 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.3 | -38 | 169.7 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | V297 H346 K347 F352 S353 S354 P415 | V297-V350 HydrophobicContact CG1-CG2 3.89Å; V297-V350 HydrophobicContact CG2-CG2 4.17Å; H346-V350 WeakPolarHBondContact O-CG2 3.46Å; H346-V350 PolarHBondContact O-N 3.21Å; K347-V350 PolarHBondContact O-N 3.27Å; V350-F352 PolarHBondContact O-N 3.48Å; V350-S353 PolarHBondContact O-N 3.49Å; V350-S354 PolarHBondContact O-N 3.21Å; V350-S354 PolarHBondContact O-OG 2.79Å; V350-P415 HydrophobicContact CB-CG 3.98Å; V350-P415 HydrophobicContact CG1-CB 4.06Å; V350-P415 HydrophobicContact CG1-CG 3.83Å |
| 351 | Y | 91 | Very high | 90.1 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.2 | 173.4 | -91.1 | 0 | 0 | 0 | 111.9 | V87 L90 T91 K347 S348 F349 S353 S354 L355 Y399 P415 C420 | V87-Y351 HydrophobicContact CB-CD1 4.38Å; V87-Y351 HydrophobicContact CG1-CD1 3.58Å; V87-Y351 HydrophobicContact CG1-CE1 4.08Å; V87-Y351 HydrophobicContact CG1-CG 3.88Å; V87-Y351 HydrophobicContact CG2-CD1 3.95Å; L90-Y351 HydrophobicContact CB-CE1 4.45Å; L90-Y351 HydrophobicContact CD1-CE1 4.33Å; T91-Y351 HydrophobicContact CG2-CD2 4.5Å; T91-Y351 HydrophobicContact CG2-CE1 4.43Å; T91-Y351 HydrophobicContact CG2-CE2 3.9Å; K347-Y351 PolarHBondContact O-N 2.93Å; S348-Y351 WeakPolarHBondContact O-CB 3.06Å; S348-Y351 PolarHBondContact O-N 2.96Å; F349-Y351 PolarHBondContact O-N 2.91Å; Y351-S353 PolarHBondContact O-N 3.23Å; Y351-S354 PolarHBondContact O-N 2.97Å; Y351-L355 HydrophobicContact CE1-CD2 4.15Å; Y351-L355 WeakPolarHBondContact O-CB 3.4Å; Y351-L355 PolarHBondContact O-N 2.82Å; Y351-Y399 AromaticContact CD2-CD1 3.7Å; Y351-Y399 HydrophobicContact CD2-CD1 3.7Å; Y351-Y399 HydrophobicContact CD2-CE1 4.04Å; Y351-Y399 HydrophobicContact CE2-CD1 4.38Å; Y351-Y399 HydrophobicContact CG-CD1 4.42Å; Y351-Y399 HydrophobicContact CG-CE1 4.34Å; Y351-P415 HydrophobicContact CD2-CB 4.45Å; Y351-C420 WeakPolarHBondContact OH-CB 3.41Å; Y351-C420 PolarHBondContact OH-SG 3.38Å |
| 352 | F | 93.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 173.8 | -69.5 | -48.6 | 0 | 0 | 0 | 112.3 | L83 F86 V87 L90 F215 L296 S348 F349 V350 S354 L355 F356 | L83-F352 HydrophobicContact CB-CE2 4.32Å; F86-F352 AromaticContact CD1-CE1 3.75Å; F86-F352 HydrophobicContact CD1-CE1 3.75Å; F86-F352 AromaticContact CD1-CZ 3.48Å; F86-F352 HydrophobicContact CD1-CZ 3.48Å; F86-F352 VanDerWaalsContact CD1-CZ 3.48Å; F86-F352 AromaticContact CE1-CE1 3.74Å; F86-F352 HydrophobicContact CE1-CE1 3.74Å; F86-F352 AromaticContact CE1-CZ 3.96Å; F86-F352 HydrophobicContact CE1-CZ 3.96Å; F86-F352 HydrophobicContact CG-CZ 4.42Å; V87-F352 HydrophobicContact CG2-CD1 4.26Å; V87-F352 HydrophobicContact CG2-CD2 4.25Å; V87-F352 HydrophobicContact CG2-CE1 3.61Å; V87-F352 HydrophobicContact CG2-CE2 3.59Å; V87-F352 HydrophobicContact CG2-CZ 3.21Å; L90-F352 HydrophobicContact CD1-CE1 4.02Å; F215-F352 HydrophobicContact CE1-CD2 4.39Å; F215-F352 HydrophobicContact CE1-CE2 4.29Å; F215-F352 HydrophobicContact CE1-CZ 4.41Å; F215-F352 HydrophobicContact CE2-CG 4.47Å; F215-F352 HydrophobicContact CZ-CB 4.31Å; F215-F352 AromaticContact CZ-CD1 3.96Å; F215-F352 HydrophobicContact CZ-CD1 3.96Å; F215-F352 AromaticContact CZ-CD2 3.93Å; F215-F352 HydrophobicContact CZ-CD2 3.93Å; F215-F352 HydrophobicContact CZ-CE1 4.26Å; F215-F352 HydrophobicContact CZ-CE2 4.24Å; F215-F352 AromaticContact CZ-CG 3.82Å; F215-F352 HydrophobicContact CZ-CG 3.82Å; F215-F352 HydrophobicContact CZ-CZ 4.4Å; L296-F352 HydrophobicContact CD1-CD2 4.47Å; S348-F352 PolarHBondContact O-N 3.31Å; S348-F352 VanDerWaalsContact O-N 3.16Å; F349-F352 HydrophobicContact CD1-CD2 4.12Å; F349-F352 HydrophobicContact CD1-CE2 4.23Å; F349-F352 PolarHBondContact O-N 2.99Å; V350-F352 PolarHBondContact O-N 3.48Å; F352-S354 PolarHBondContact O-N 3.25Å; F352-L355 WeakPolarHBondContact O-CB 3.27Å; F352-L355 PolarHBondContact O-N 3.03Å; F352-F356 HydrophobicContact CB-CD2 4.33Å; F352-F356 HydrophobicContact CB-CE2 4.17Å; F352-F356 HydrophobicContact CD1-CE2 4.29Å; F352-F356 WeakPolarHBondContact O-CD2 3.45Å; F352-F356 PolarHBondContact O-N 3.25Å |
| 353 | S | 91.5 | Very high | 90.5 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 12% | 0.119 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.6 | -49.7 | 178.9 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | K290 S293 D294 F349 V350 Y351 L355 F356 T357 | K290-S353 WeakPolarHBondContact CD-O 3.27Å; K290-S353 WeakPolarHBondContact CE-O 3.27Å; K290-S353 WeakPolarHBondContact CE-OG 3.37Å; K290-S353 PolarHBondContact NZ-OG 2.8Å; S293-S353 VanDerWaalsContact OG-CA 3.22Å; S293-S353 WeakPolarHBondContact OG-CA 3.43Å; D294-S353 PolarHBondContact OD1-OG 3.1Å; F349-S353 PolarHBondContact O-N 3.45Å; F349-S353 VanDerWaalsContact O-N 3.1Å; V350-S353 PolarHBondContact O-N 3.49Å; Y351-S353 PolarHBondContact O-N 3.23Å; S353-L355 VanDerWaalsContact C-N 3.35Å; S353-L355 PolarHBondContact O-N 3.48Å; S353-F356 PolarHBondContact O-N 3.3Å; S353-T357 PolarHBondContact O-N 3.3Å; S353-T357 PolarHBondContact O-OG1 3.42Å; S353-T357 VanDerWaalsContact O-OG1 3.09Å |
| 354 | S | 89.7 | Confident | 90.6 | Very high | 21 Ų | 21 | 26 Ų | 26 | 15% | 0.147 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | V350 Y351 F352 R358 P415 | V350-S354 PolarHBondContact O-N 3.21Å; V350-S354 PolarHBondContact O-OG 2.79Å; Y351-S354 PolarHBondContact O-N 2.97Å; F352-S354 PolarHBondContact O-N 3.25Å; S354-R358 WeakPolarHBondContact O-CB 3.05Å; S354-R358 PolarHBondContact O-N 3.19Å; S354-R358 VanDerWaalsContact O-N 3.08Å; S354-P415 PolarHBondContact OG-O 2.66Å |
| 355 | L | 91.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -51.2 | 175.6 | 171.6 | 64.1 | 0 | 0 | 0 | 111.3 | Y351 F352 S353 R358 L359 C420 L422 | Y351-L355 HydrophobicContact CE1-CD2 4.15Å; Y351-L355 WeakPolarHBondContact O-CB 3.4Å; Y351-L355 PolarHBondContact O-N 2.82Å; F352-L355 WeakPolarHBondContact O-CB 3.27Å; F352-L355 PolarHBondContact O-N 3.03Å; S353-L355 VanDerWaalsContact C-N 3.35Å; S353-L355 PolarHBondContact O-N 3.48Å; L355-R358 WeakPolarHBondContact O-CB 3.45Å; L355-R358 PolarHBondContact O-N 3.38Å; L355-R358 VanDerWaalsContact O-N 3.13Å; L355-L359 HydrophobicContact CD1-CD1 4.1Å; L355-L359 HydrophobicContact CD1-CG 4.08Å; L355-L359 HydrophobicContact CG-CD1 4.19Å; L355-L359 HydrophobicContact CG-CG 4.48Å; L355-L359 WeakPolarHBondContact O-CG 3.28Å; L355-L359 PolarHBondContact O-N 2.98Å; L355-C420 VanDerWaalsContact CD1-SG 3.6Å; L355-L422 HydrophobicContact CD2-CD2 3.98Å |
| 356 | F | 93.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.9 | -30.1 | -176.9 | -67.7 | -59.9 | 0 | 0 | 0 | 112.7 | F215 L219 I286 L289 K290 F352 S353 R358 L359 H360 | F215-F356 HydrophobicContact CE2-CD2 4.44Å; F215-F356 AromaticContact CE2-CE2 3.71Å; F215-F356 HydrophobicContact CE2-CE2 3.71Å; F215-F356 HydrophobicContact CE2-CZ 4.49Å; F215-F356 AromaticContact CZ-CE2 3.86Å; F215-F356 HydrophobicContact CZ-CE2 3.86Å; F215-F356 HydrophobicContact CZ-CZ 4.44Å; L219-F356 HydrophobicContact CD1-CZ 4.25Å; I286-F356 HydrophobicContact CG2-CB 4.49Å; I286-F356 WeakPolarHBondContact CG2-O 3.36Å; L289-F356 HydrophobicContact CB-CD1 3.8Å; L289-F356 HydrophobicContact CB-CD2 3.87Å; L289-F356 HydrophobicContact CB-CE1 3.87Å; L289-F356 HydrophobicContact CB-CE2 3.94Å; L289-F356 HydrophobicContact CB-CG 3.82Å; L289-F356 HydrophobicContact CB-CZ 3.94Å; L289-F356 HydrophobicContact CD1-CD1 4.14Å; L289-F356 HydrophobicContact CD1-CE1 3.56Å; L289-F356 HydrophobicContact CD1-CZ 3.86Å; L289-F356 HydrophobicContact CD2-CE1 4.47Å; L289-F356 HydrophobicContact CD2-CE2 4.17Å; L289-F356 HydrophobicContact CD2-CZ 3.94Å; L289-F356 HydrophobicContact CG-CE1 4.17Å; L289-F356 HydrophobicContact CG-CE2 4.49Å; L289-F356 HydrophobicContact CG-CZ 4.14Å; K290-F356 HydrophobicContact CB-CB 4.01Å; K290-F356 HydrophobicContact CD-CB 4.27Å; F352-F356 HydrophobicContact CB-CD2 4.33Å; F352-F356 HydrophobicContact CB-CE2 4.17Å; F352-F356 HydrophobicContact CD1-CE2 4.29Å; F352-F356 WeakPolarHBondContact O-CD2 3.45Å; F352-F356 PolarHBondContact O-N 3.25Å; S353-F356 PolarHBondContact O-N 3.3Å; F356-R358 VanDerWaalsContact C-N 3.31Å; F356-R358 PolarHBondContact O-N 2.77Å; F356-L359 HydrophobicContact CD1-CD1 4.04Å; F356-L359 HydrophobicContact CE1-CD1 4.2Å; F356-L359 PolarHBondContact O-N 2.89Å; F356-H360 VanDerWaalsContact O-CB 3.29Å; F356-H360 WeakPolarHBondContact O-CB 3.24Å; F356-H360 PolarHBondContact O-N 3.02Å |
| 357 | T | 90.5 | Very high | 90.5 | Very high | 51 Ų | 51 | 20.6 Ų | 20.6 | 31% | 0.313 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -62.1 | -42 | 167.6 | -51.4 | 0 | 0 | 0 | 0 | 111.4 | K290 S353 H360 H361 L417 | K290-T357 WeakPolarHBondContact CD-OG1 3.38Å; K290-T357 WeakPolarHBondContact CE-OG1 3.29Å; S353-T357 PolarHBondContact O-N 3.3Å; S353-T357 PolarHBondContact O-OG1 3.42Å; S353-T357 VanDerWaalsContact O-OG1 3.09Å; T357-H360 PolarHBondContact O-N 3.42Å; T357-H361 PolarHBondContact O-N 3.5Å; T357-L417 HydrophobicContact CG2-CD1 3.43Å; T357-L417 VanDerWaalsContact CG2-CD1 3.43Å |
| 358 | R | 88.9 | Confident | 90.3 | Very high | 18 Ų | 18 | 20.1 Ų | 20.1 | 7% | 0.068 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 178.3 | -177.3 | 179.4 | -178.1 | 78.2 | 11.2 | 111.6 | S354 L355 F356 H360 H361 I362 S392 L417 T418 S423 | S354-R358 WeakPolarHBondContact O-CB 3.05Å; S354-R358 PolarHBondContact O-N 3.19Å; S354-R358 VanDerWaalsContact O-N 3.08Å; L355-R358 WeakPolarHBondContact O-CB 3.45Å; L355-R358 PolarHBondContact O-N 3.38Å; L355-R358 VanDerWaalsContact O-N 3.13Å; F356-R358 VanDerWaalsContact C-N 3.31Å; F356-R358 PolarHBondContact O-N 2.77Å; R358-H360 VanDerWaalsContact C-N 3.28Å; R358-H360 PolarHBondContact O-N 2.86Å; R358-H361 PolarHBondContact O-N 2.98Å; R358-I362 HydrophobicContact CG-CD1 3.95Å; R358-I362 WeakPolarHBondContact O-CG1 3.28Å; R358-I362 PolarHBondContact O-N 3.16Å; R358-S392 PolarHBondContact NH2-O 2.82Å; R358-L417 HydrophobicContact CB-CD2 4.18Å; R358-L417 HydrophobicContact CB-CG 4.19Å; R358-L417 PolarHBondContact NH1-O 3.39Å; R358-T418 WeakPolarHBondContact CD-O 3.29Å; R358-T418 PolarHBondContact NE-O 2.71Å; R358-S423 PolarHBondContact NE-OG 3.11Å |
| 359 | L | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 178.3 | -67.4 | -179.3 | 0 | 0 | 0 | 111.5 | F222 I286 L355 F356 I362 L363 I426 | F222-L359 HydrophobicContact CZ-CD1 4.19Å; I286-L359 HydrophobicContact CD1-CB 3.93Å; I286-L359 HydrophobicContact CG2-CB 4.45Å; L355-L359 HydrophobicContact CD1-CD1 4.1Å; L355-L359 HydrophobicContact CD1-CG 4.08Å; L355-L359 HydrophobicContact CG-CD1 4.19Å; L355-L359 HydrophobicContact CG-CG 4.48Å; L355-L359 WeakPolarHBondContact O-CG 3.28Å; L355-L359 PolarHBondContact O-N 2.98Å; F356-L359 HydrophobicContact CD1-CD1 4.04Å; F356-L359 HydrophobicContact CE1-CD1 4.2Å; F356-L359 PolarHBondContact O-N 2.89Å; L359-I362 HydrophobicContact CD2-CD1 4.31Å; L359-I362 PolarHBondContact O-N 3.43Å; L359-L363 WeakPolarHBondContact O-CB 3.3Å; L359-L363 PolarHBondContact O-N 3.04Å; L359-I426 HydrophobicContact CD2-CB 3.93Å; L359-I426 HydrophobicContact CD2-CG1 4.19Å; L359-I426 HydrophobicContact CD2-CG2 4Å |
| 360 | H | 91.1 | Very high | 89.7 | Confident | 67 Ų | 67 | 20.1 Ų | 20.1 | 31% | 0.31 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60.6 | -47 | 173.1 | -172.6 | -83.4 | 0 | 0 | 0 | 111.5 | I286 F356 T357 R358 I362 L363 C364 | I286-H360 HydrophobicContact CG2-CB 3.74Å; F356-H360 VanDerWaalsContact O-CB 3.29Å; F356-H360 WeakPolarHBondContact O-CB 3.24Å; F356-H360 PolarHBondContact O-N 3.02Å; T357-H360 PolarHBondContact O-N 3.42Å; R358-H360 VanDerWaalsContact C-N 3.28Å; R358-H360 PolarHBondContact O-N 2.86Å; H360-I362 VanDerWaalsContact C-N 3.35Å; H360-I362 PolarHBondContact O-N 2.97Å; H360-L363 PolarHBondContact O-N 3.39Å; H360-C364 PolarHBondContact CE1-SG 2.83Å; H360-C364 WeakPolarHBondContact O-CB 3.49Å; H360-C364 PolarHBondContact O-N 3.34Å; H360-C364 PolarHBondContact O-SG 3.38Å |
| 361 | H | 87.8 | Confident | 89.4 | Confident | 98 Ų | 98 | 20.7 Ų | 20.7 | 45% | 0.454 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.7 | -179.6 | -96.2 | 0 | 0 | 0 | 112.6 | T357 R358 T365 F388 | T357-H361 PolarHBondContact O-N 3.5Å; R358-H361 PolarHBondContact O-N 2.98Å; H361-T365 WeakPolarHBondContact O-CB 3.43Å; H361-T365 PolarHBondContact O-N 3.33Å; H361-T365 VanDerWaalsContact O-N 3.1Å; H361-T365 PolarHBondContact O-OG1 2.88Å; H361-F388 AromaticContact CE1-CE2 3.81Å; H361-F388 AromaticContact ND1-CE2 3.95Å |
| 362 | I | 89.8 | Confident | 88.9 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -52.5 | 175.7 | -67.8 | 159.1 | 0 | 0 | 0 | 110.3 | R358 L359 H360 C364 T365 Y366 F388 T427 F430 | R358-I362 HydrophobicContact CG-CD1 3.95Å; R358-I362 WeakPolarHBondContact O-CG1 3.28Å; R358-I362 PolarHBondContact O-N 3.16Å; L359-I362 HydrophobicContact CD2-CD1 4.31Å; L359-I362 PolarHBondContact O-N 3.43Å; H360-I362 VanDerWaalsContact C-N 3.35Å; H360-I362 PolarHBondContact O-N 2.97Å; I362-C364 PolarHBondContact O-N 3.37Å; I362-T365 WeakPolarHBondContact O-CB 3.47Å; I362-T365 PolarHBondContact O-N 2.86Å; I362-T365 VanDerWaalsContact O-N 3.14Å; I362-Y366 HydrophobicContact CG2-CD2 3.85Å; I362-Y366 HydrophobicContact CG2-CE2 3.79Å; I362-Y366 WeakPolarHBondContact O-CD2 3.4Å; I362-Y366 PolarHBondContact O-N 2.91Å; I362-Y366 VanDerWaalsContact O-N 3.12Å; I362-F388 HydrophobicContact CB-CZ 4.32Å; I362-F388 HydrophobicContact CG1-CZ 4Å; I362-F388 HydrophobicContact CG2-CE1 4.43Å; I362-F388 HydrophobicContact CG2-CZ 4.46Å; I362-T427 WeakPolarHBondContact CD1-OG1 3.48Å; I362-F430 HydrophobicContact CG2-CD2 4.15Å |
| 363 | L | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.6 | -50.9 | -178.8 | -178.6 | 71.1 | 0 | 0 | 0 | 112.1 | C279 V282 S283 I286 L359 H360 T365 Y366 E367 F430 | C279-L363 HydrophobicContact CB-CD1 3.86Å; C279-L363 WeakPolarHBondContact O-CD2 3.47Å; V282-L363 HydrophobicContact CB-CD1 4.45Å; V282-L363 HydrophobicContact CB-CD2 4.37Å; V282-L363 HydrophobicContact CG1-CD1 4.46Å; V282-L363 HydrophobicContact CG1-CD2 4.26Å; S283-L363 VanDerWaalsContact CB-CD2 3.47Å; I286-L363 HydrophobicContact CD1-CB 4.47Å; I286-L363 HydrophobicContact CD1-CD2 4.06Å; L359-L363 WeakPolarHBondContact O-CB 3.3Å; L359-L363 PolarHBondContact O-N 3.04Å; H360-L363 PolarHBondContact O-N 3.39Å; L363-T365 PolarHBondContact O-N 2.85Å; L363-Y366 PolarHBondContact O-N 3.15Å; L363-Y366 VanDerWaalsContact O-N 3.09Å; L363-E367 PolarHBondContact O-N 3.21Å; L363-F430 HydrophobicContact CB-CE2 3.95Å; L363-F430 HydrophobicContact CD1-CD2 4.14Å; L363-F430 HydrophobicContact CD1-CE1 4.35Å; L363-F430 HydrophobicContact CD1-CE2 3.42Å; L363-F430 VanDerWaalsContact CD1-CE2 3.42Å; L363-F430 HydrophobicContact CD1-CZ 3.54Å; L363-F430 HydrophobicContact CG-CE2 4.29Å |
| 364 | C | 87.9 | Confident | 87.5 | Confident | 32 Ų | 32 | 24.9 Ų | 24.9 | 22% | 0.216 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.7 | -38.2 | 177.8 | -70.6 | 0 | 0 | 0 | 0 | 111.4 | H360 I362 E367 N368 | H360-C364 PolarHBondContact CE1-SG 2.83Å; H360-C364 WeakPolarHBondContact O-CB 3.49Å; H360-C364 PolarHBondContact O-N 3.34Å; H360-C364 PolarHBondContact O-SG 3.38Å; I362-C364 PolarHBondContact O-N 3.37Å; C364-E367 PolarHBondContact O-N 3.04Å; C364-N368 WeakPolarHBondContact O-CB 3.43Å; C364-N368 PolarHBondContact O-N 3.29Å; C364-N368 PolarHBondContact O-ND2 2.87Å; C364-N368 VanDerWaalsContact O-ND2 3.08Å; C364-N368 PolarHBondContact O-OD1 3.39Å |
| 365 | T | 88.2 | Confident | 86.9 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 178.4 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | H361 I362 L363 F369 F388 L857 | H361-T365 WeakPolarHBondContact O-CB 3.43Å; H361-T365 PolarHBondContact O-N 3.33Å; H361-T365 VanDerWaalsContact O-N 3.1Å; H361-T365 PolarHBondContact O-OG1 2.88Å; I362-T365 WeakPolarHBondContact O-CB 3.47Å; I362-T365 PolarHBondContact O-N 2.86Å; I362-T365 VanDerWaalsContact O-N 3.14Å; L363-T365 PolarHBondContact O-N 2.85Å; T365-F369 WeakPolarHBondContact O-CB 3.47Å; T365-F369 PolarHBondContact O-N 3.03Å; T365-F388 HydrophobicContact CG2-CD1 3.82Å; T365-F388 HydrophobicContact CG2-CD2 3.81Å; T365-F388 HydrophobicContact CG2-CE1 3.95Å; T365-F388 HydrophobicContact CG2-CE2 3.94Å; T365-F388 HydrophobicContact CG2-CG 3.75Å; T365-F388 HydrophobicContact CG2-CZ 4.02Å; T365-L857 HydrophobicContact CG2-CD1 4.13Å; T365-L857 HydrophobicContact CG2-CD2 3.54Å; T365-L857 HydrophobicContact CG2-CG 3.92Å |
| 366 | Y | 90.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -43.6 | 175.7 | -84.5 | -79.8 | 0 | 0 | 0 | 112.9 | F275 I362 L363 N368 F369 A370 L385 F388 I389 T427 F430 Y431 L434 | F275-Y366 HydrophobicContact CZ-CD1 4.32Å; I362-Y366 HydrophobicContact CG2-CD2 3.85Å; I362-Y366 HydrophobicContact CG2-CE2 3.79Å; I362-Y366 WeakPolarHBondContact O-CD2 3.4Å; I362-Y366 PolarHBondContact O-N 2.91Å; I362-Y366 VanDerWaalsContact O-N 3.12Å; L363-Y366 PolarHBondContact O-N 3.15Å; L363-Y366 VanDerWaalsContact O-N 3.09Å; Y366-N368 VanDerWaalsContact C-N 3.31Å; Y366-N368 PolarHBondContact O-N 2.91Å; Y366-F369 WeakPolarHBondContact O-CB 3.45Å; Y366-F369 PolarHBondContact O-N 3.43Å; Y366-A370 PolarHBondContact O-N 3.16Å; Y366-L385 HydrophobicContact CD1-CD1 4.19Å; Y366-L385 HydrophobicContact CE1-CD1 3.83Å; Y366-L385 HydrophobicContact CE1-CD2 3.98Å; Y366-L385 HydrophobicContact CE1-CG 4.34Å; Y366-F388 HydrophobicContact CE2-CE1 4.14Å; Y366-I389 VanDerWaalsContact OH-CD1 3.26Å; Y366-I389 WeakPolarHBondContact OH-CD1 3.46Å; Y366-T427 HydrophobicContact CE2-CG2 4.27Å; Y366-T427 PolarHBondContact OH-O 3.39Å; Y366-F430 HydrophobicContact CD1-CB 4.24Å; Y366-F430 HydrophobicContact CD2-CB 3.83Å; Y366-F430 HydrophobicContact CD2-CD2 4.04Å; Y366-F430 HydrophobicContact CD2-CG 4.46Å; Y366-F430 HydrophobicContact CE1-CB 4.27Å; Y366-F430 HydrophobicContact CE2-CB 3.85Å; Y366-F430 HydrophobicContact CE2-CD2 4.48Å; Y366-F430 HydrophobicContact CG-CB 4.03Å; Y366-Y431 WeakPolarHBondContact OH-CB 3.42Å; Y366-L434 HydrophobicContact CD1-CD2 4.19Å; Y366-L434 HydrophobicContact CE1-CD2 4.36Å |
| 367 | E | 88.5 | Confident | 84.5 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 175.7 | -173.8 | 179.7 | -179.3 | 0 | 0 | 110.4 | C279 R280 L363 C364 F369 A370 L371 | C279-E367 HydrophobicContact CB-CB 4.04Å; C279-E367 HydrophobicContact CB-CG 4.22Å; R280-E367 WeakPolarHBondContact CG-OE1 3.13Å; R280-E367 IonicContact NE-OE1 3.67Å; L363-E367 PolarHBondContact O-N 3.21Å; C364-E367 PolarHBondContact O-N 3.04Å; E367-F369 VanDerWaalsContact C-N 3.32Å; E367-F369 PolarHBondContact O-N 2.95Å; E367-A370 PolarHBondContact O-N 3.04Å; E367-A370 VanDerWaalsContact O-N 3.17Å; E367-L371 HydrophobicContact CG-CD1 3.95Å; E367-L371 HydrophobicContact CG-CG 4.38Å; E367-L371 WeakPolarHBondContact O-CB 3.35Å; E367-L371 WeakPolarHBondContact O-CG 3.34Å; E367-L371 PolarHBondContact O-N 3.37Å |
| 368 | N | 84.9 | Confident | 83.4 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -35.8 | 177.6 | -70.1 | -17.2 | 0 | 0 | 0 | 112.5 | C364 Y366 W372 I853 | C364-N368 WeakPolarHBondContact O-CB 3.43Å; C364-N368 PolarHBondContact O-N 3.29Å; C364-N368 PolarHBondContact O-ND2 2.87Å; C364-N368 VanDerWaalsContact O-ND2 3.08Å; C364-N368 PolarHBondContact O-OD1 3.39Å; Y366-N368 VanDerWaalsContact C-N 3.31Å; Y366-N368 PolarHBondContact O-N 2.91Å; N368-W372 WeakPolarHBondContact O-CB 3.26Å; N368-W372 PolarHBondContact O-N 3.29Å; N368-W372 VanDerWaalsContact O-N 3.12Å; N368-I853 HydrophobicContact CB-CG2 3.4Å; N368-I853 VanDerWaalsContact CB-CG2 3.4Å; N368-I853 VanDerWaalsContact CB-O 3.27Å; N368-I853 WeakPolarHBondContact CB-O 3.4Å; N368-I853 VanDerWaalsContact CG-CG2 3.49Å; N368-I853 PolarHBondContact ND2-O 3.5Å; N368-I853 WeakPolarHBondContact OD1-CG2 3.45Å |
| 369 | F | 86.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 172.8 | -176.2 | -84.5 | 0 | 0 | 0 | 111.4 | T365 Y366 E367 H373 L380 L385 L434 L857 | T365-F369 WeakPolarHBondContact O-CB 3.47Å; T365-F369 PolarHBondContact O-N 3.03Å; Y366-F369 WeakPolarHBondContact O-CB 3.45Å; Y366-F369 PolarHBondContact O-N 3.43Å; E367-F369 VanDerWaalsContact C-N 3.32Å; E367-F369 PolarHBondContact O-N 2.95Å; F369-H373 AromaticContact CD1-CE1 3.75Å; F369-H373 AromaticContact CD1-ND1 3.74Å; F369-H373 AromaticContact CE1-CE1 3.22Å; F369-H373 WeakPolarHBondContact CE1-CE1 3.29Å; F369-H373 AromaticContact CE1-ND1 3.6Å; F369-H373 AromaticContact CE2-CE1 3.83Å; F369-H373 AromaticContact CZ-CE1 3.28Å; F369-H373 WeakPolarHBondContact CZ-CE1 3.37Å; F369-H373 PolarHBondContact O-ND1 2.88Å; F369-L380 HydrophobicContact CD2-CD2 3.26Å; F369-L380 HydrophobicContact CD2-CG 3.98Å; F369-L380 HydrophobicContact CE2-CB 4.2Å; F369-L380 HydrophobicContact CE2-CD2 3.51Å; F369-L380 HydrophobicContact CE2-CG 3.66Å; F369-L380 HydrophobicContact CG-CD2 4.18Å; F369-L385 HydrophobicContact CD1-CD2 4.36Å; F369-L385 HydrophobicContact CD2-CB 3.99Å; F369-L385 HydrophobicContact CD2-CD1 4.25Å; F369-L385 HydrophobicContact CD2-CD2 4.43Å; F369-L385 HydrophobicContact CD2-CG 4.46Å; F369-L385 HydrophobicContact CE1-CD2 4.16Å; F369-L385 HydrophobicContact CE2-CB 3.64Å; F369-L385 HydrophobicContact CE2-CD2 4.26Å; F369-L385 HydrophobicContact CE2-CG 4.41Å; F369-L385 HydrophobicContact CG-CD1 4.47Å; F369-L385 HydrophobicContact CZ-CB 4.14Å; F369-L385 HydrophobicContact CZ-CD2 4.1Å; F369-L434 HydrophobicContact CD1-CD1 4.5Å; F369-L434 HydrophobicContact CD1-CD2 3.8Å; F369-L434 HydrophobicContact CE1-CD2 3.84Å; F369-L857 HydrophobicContact CB-CD1 4.04Å; F369-L857 HydrophobicContact CD2-CD1 4.29Å |
| 370 | A | 86 | Confident | 81.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.4 | -47.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W272 F275 I276 Y366 E367 W372 H373 D374 L434 | W272-A370 HydrophobicContact CE3-CB 4.38Å; F275-A370 HydrophobicContact CD1-CB 3.73Å; F275-A370 HydrophobicContact CE1-CB 4.04Å; I276-A370 HydrophobicContact CD1-CB 4.41Å; I276-A370 HydrophobicContact CG1-CB 3.92Å; Y366-A370 PolarHBondContact O-N 3.16Å; E367-A370 PolarHBondContact O-N 3.04Å; E367-A370 VanDerWaalsContact O-N 3.17Å; A370-W372 PolarHBondContact O-N 3.1Å; A370-H373 PolarHBondContact O-N 3.47Å; A370-D374 PolarHBondContact O-N 3.41Å; A370-L434 HydrophobicContact CB-CD1 4.31Å |
| 371 | L | 83.7 | Confident | 80.7 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -38 | 176.6 | -74.2 | 169.8 | 0 | 0 | 0 | 112.3 | I276 E367 H373 D374 L375 | I276-L371 HydrophobicContact CD1-CD2 3.8Å; I276-L371 HydrophobicContact CD1-CG 4.27Å; I276-L371 HydrophobicContact CG1-CD2 4.44Å; I276-L371 HydrophobicContact CG2-CD2 4.34Å; E367-L371 HydrophobicContact CG-CD1 3.95Å; E367-L371 HydrophobicContact CG-CG 4.38Å; E367-L371 WeakPolarHBondContact O-CB 3.35Å; E367-L371 WeakPolarHBondContact O-CG 3.34Å; E367-L371 PolarHBondContact O-N 3.37Å; L371-H373 VanDerWaalsContact C-N 3.28Å; L371-H373 PolarHBondContact O-N 3.04Å; L371-D374 PolarHBondContact O-N 2.88Å; L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 3.12Å |
| 372 | W | 80.1 | Confident | 80.5 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 176.1 | -178.3 | 95.4 | 0 | 0 | 0 | 111 | N368 A370 D374 L375 H376 E378 L380 F858 | N368-W372 WeakPolarHBondContact O-CB 3.26Å; N368-W372 PolarHBondContact O-N 3.29Å; N368-W372 VanDerWaalsContact O-N 3.12Å; A370-W372 PolarHBondContact O-N 3.1Å; W372-D374 VanDerWaalsContact C-N 3.29Å; W372-D374 PolarHBondContact O-N 3.11Å; W372-L375 PolarHBondContact O-N 3.42Å; W372-H376 AromaticContact CD1-CD2 3.67Å; W372-H376 HydrophobicContact CD2-CB 4.38Å; W372-H376 AromaticContact CE2-CD2 3.68Å; W372-H376 HydrophobicContact CH2-CB 3.28Å; W372-H376 HydrophobicContact CZ2-CB 3.3Å; W372-H376 AromaticContact CZ2-CG 3.91Å; W372-H376 HydrophobicContact CZ3-CB 3.99Å; W372-H376 AromaticContact NE1-CD2 3.41Å; W372-H376 PolarHBondContact NE1-CD2 2.85Å; W372-H376 PolarHBondContact O-N 2.88Å; W372-H376 VanDerWaalsContact O-N 3.14Å; W372-E378 WeakPolarHBondContact CH2-O 3.23Å; W372-E378 WeakPolarHBondContact CZ2-O 3.36Å; W372-L380 HydrophobicContact CD2-CB 3.78Å; W372-L380 HydrophobicContact CE3-CB 3.56Å; W372-L380 HydrophobicContact CG-CB 4.44Å; W372-L380 HydrophobicContact CZ3-CB 4.23Å; W372-F858 AromaticContact CD1-CE2 3.94Å; W372-F858 AromaticContact CD1-CZ 3.72Å; W372-F858 HydrophobicContact CG-CZ 4.42Å; W372-F858 AromaticContact NE1-CZ 3.44Å |
| 373 | H | 78.7 | Confident | 80.3 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.5 | -24.2 | -176.6 | -74.6 | 93.2 | 0 | 0 | 0 | 113.7 | W272 F369 A370 L371 L380 Y455 | W272-H373 HydrophobicContact CZ2-CB 4.17Å; F369-H373 AromaticContact CD1-CE1 3.75Å; F369-H373 AromaticContact CD1-ND1 3.74Å; F369-H373 AromaticContact CE1-CE1 3.22Å; F369-H373 WeakPolarHBondContact CE1-CE1 3.29Å; F369-H373 AromaticContact CE1-ND1 3.6Å; F369-H373 AromaticContact CE2-CE1 3.83Å; F369-H373 AromaticContact CZ-CE1 3.28Å; F369-H373 WeakPolarHBondContact CZ-CE1 3.37Å; F369-H373 PolarHBondContact O-ND1 2.88Å; A370-H373 PolarHBondContact O-N 3.47Å; L371-H373 VanDerWaalsContact C-N 3.28Å; L371-H373 PolarHBondContact O-N 3.04Å; H373-L380 VanDerWaalsContact CE1-CB 3.47Å; H373-L380 WeakPolarHBondContact CE1-CB 3.37Å; H373-L380 PolarHBondContact NE2-N 3.2Å; H373-L380 PolarHBondContact NE2-O 2.86Å; H373-Y455 AromaticContact CD2-CE1 3.68Å; H373-Y455 AromaticContact CE1-CE1 3.93Å; H373-Y455 AromaticContact NE2-CE1 3.38Å; H373-Y455 WeakPolarHBondContact NE2-CE1 3.27Å |
| 374 | D | 77.1 | Confident | 79.9 | Confident | 79 Ų | 79 | 33 Ų | 33 | 42% | 0.422 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -72.4 | -37.5 | 173.9 | -159.9 | 54.9 | 0 | 0 | 0 | 111.3 | A370 L371 W372 | A370-D374 PolarHBondContact O-N 3.41Å; L371-D374 PolarHBondContact O-N 2.88Å; W372-D374 VanDerWaalsContact C-N 3.29Å; W372-D374 PolarHBondContact O-N 3.11Å |
| 375 | L | 75.8 | Confident | 79.9 | Confident | 117 Ų | 117 | 31.4 Ų | 31.4 | 61% | 0.613 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -89.4 | -22 | -172.2 | -65.9 | 173 | 0 | 0 | 0 | 115 | L371 W372 | L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 3.12Å; W372-L375 PolarHBondContact O-N 3.42Å |
| 376 | H | 71.3 | Confident | 80 | Confident | 46 Ų | 46 | 30.9 Ų | 30.9 | 21% | 0.213 | 16% | 0.164 | C | C | . | . | trans | -129.5 | 139.1 | -167.3 | -66.1 | -63.8 | 0 | 0 | 0 | 113.9 | W372 E378 | W372-H376 AromaticContact CD1-CD2 3.67Å; W372-H376 HydrophobicContact CD2-CB 4.38Å; W372-H376 AromaticContact CE2-CD2 3.68Å; W372-H376 HydrophobicContact CH2-CB 3.28Å; W372-H376 HydrophobicContact CZ2-CB 3.3Å; W372-H376 AromaticContact CZ2-CG 3.91Å; W372-H376 HydrophobicContact CZ3-CB 3.99Å; W372-H376 AromaticContact NE1-CD2 3.41Å; W372-H376 PolarHBondContact NE1-CD2 2.85Å; W372-H376 PolarHBondContact O-N 2.88Å; W372-H376 VanDerWaalsContact O-N 3.14Å; H376-E378 PolarHBondContact O-N 3.39Å | ||
| 377 | P | 63.8 | Low | 80 | Confident | 124 Ų | 124 | 31 Ų | 31 | 81% | 0.805 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -77.8 | -15.1 | -178 | 30.2 | -35.2 | 0 | 0 | 0 | 114.8 | P379 | P377-P379 WeakPolarHBondContact O-CD 3.49Š|
| 378 | E | 67 | Low | 80 | Confident | 107 Ų | 107 | 30.2 Ų | 30.2 | 50% | 0.5 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -102.6 | 78.8 | -176.5 | -70.2 | -160 | 150.4 | 0 | 0 | 112.9 | W372 H376 L380 | W372-E378 WeakPolarHBondContact CH2-O 3.23Å; W372-E378 WeakPolarHBondContact CZ2-O 3.36Å; H376-E378 PolarHBondContact O-N 3.39Å; E378-L380 PolarHBondContact O-N 3.36Å |
| 379 | P | 67.6 | Low | 80.3 | Confident | 28 Ų | 28 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | trans | -42.4 | 132.3 | -165.5 | 12 | -28.6 | 0 | 0 | 0 | 114.9 | P377 R381 N458 Q462 | P377-P379 WeakPolarHBondContact O-CD 3.49Å; P379-R381 PolarHBondContact O-N 2.78Å; P379-N458 HydrophobicContact CB-CB 4.14Å; P379-N458 WeakPolarHBondContact CB-ND2 3.26Å; P379-N458 HydrophobicContact CG-CB 3.7Å; P379-N458 WeakPolarHBondContact CG-ND2 3.28Å; P379-Q462 PolarHBondContact O-NE2 3.31Å | ||
| 380 | L | 70.8 | Confident | 80.6 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | trans | -58.8 | 138.3 | 170.1 | 176.9 | 63.2 | 0 | 0 | 0 | 109.3 | F369 W372 H373 E378 I382 L857 F858 | F369-L380 HydrophobicContact CD2-CD2 3.26Å; F369-L380 HydrophobicContact CD2-CG 3.98Å; F369-L380 HydrophobicContact CE2-CB 4.2Å; F369-L380 HydrophobicContact CE2-CD2 3.51Å; F369-L380 HydrophobicContact CE2-CG 3.66Å; F369-L380 HydrophobicContact CG-CD2 4.18Å; W372-L380 HydrophobicContact CD2-CB 3.78Å; W372-L380 HydrophobicContact CE3-CB 3.56Å; W372-L380 HydrophobicContact CG-CB 4.44Å; W372-L380 HydrophobicContact CZ3-CB 4.23Å; H373-L380 VanDerWaalsContact CE1-CB 3.47Å; H373-L380 WeakPolarHBondContact CE1-CB 3.37Å; H373-L380 PolarHBondContact NE2-N 3.2Å; H373-L380 PolarHBondContact NE2-O 2.86Å; E378-L380 PolarHBondContact O-N 3.36Å; L380-I382 PolarHBondContact O-N 2.82Å; L380-L857 HydrophobicContact CD2-CB 4.23Å; L380-L857 HydrophobicContact CD2-CD1 4.05Å; L380-F858 HydrophobicContact CD1-CD1 3.5Å; L380-F858 VanDerWaalsContact CD1-CD1 3.5Å; L380-F858 HydrophobicContact CD1-CE1 3.08Å; L380-F858 HydrophobicContact CD1-CE2 4.19Å; L380-F858 HydrophobicContact CD1-CG 4.31Å; L380-F858 HydrophobicContact CD1-CZ 3.43Å; L380-F858 VanDerWaalsContact CD1-CZ 3.43Å; L380-F858 HydrophobicContact CD2-CZ 4.38Å; L380-F858 HydrophobicContact CG-CE1 4.37Å; L380-F858 HydrophobicContact CG-CZ 4.38Å | ||
| 381 | R | 76.8 | Confident | 80.5 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | trans | -67.9 | 135.4 | -172.9 | -54.2 | 169.5 | -50.3 | 158.5 | 1.6 | 110.3 | P379 H383 S384 H707 | P379-R381 PolarHBondContact O-N 2.78Å; R381-H383 WeakPolarHBondContact CB-CE1 3.43Å; R381-H383 VanDerWaalsContact CD-CE1 3.4Å; R381-H383 WeakPolarHBondContact CD-CE1 3.31Å; R381-H383 PolarHBondContact NE-NE2 2.86Å; R381-H383 PolarHBondContact NH1-NE2 3.24Å; R381-H383 PolarHBondContact O-N 3.06Å; R381-S384 PolarHBondContact NH2-OG 3.46Å; R381-S384 VanDerWaalsContact O-CB 3.3Å; R381-S384 WeakPolarHBondContact O-CB 3.49Å; R381-S384 PolarHBondContact O-N 3.43Å; R381-H707 WeakPolarHBondContact CD-O 3.4Å; R381-H707 PolarHBondContact NE-O 2.91Å; R381-H707 PolarHBondContact NH1-O 2.53Å; R381-H707 PolarHBondContact NH2-O 2.73Å | ||
| 382 | I | 85.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -31.8 | 179.5 | -159.6 | 175.8 | 0 | 0 | 0 | 111.6 | L380 S384 L385 W386 M435 Y455 S459 | L380-I382 PolarHBondContact O-N 2.82Å; I382-S384 VanDerWaalsContact C-N 3.25Å; I382-S384 PolarHBondContact O-N 3.12Å; I382-L385 WeakPolarHBondContact O-CA 3.23Å; I382-L385 WeakPolarHBondContact O-CB 3.03Å; I382-L385 PolarHBondContact O-N 2.96Å; I382-W386 HydrophobicContact CB-CZ2 4.47Å; I382-W386 HydrophobicContact CD1-CZ2 3.91Å; I382-W386 HydrophobicContact CG1-CZ2 4.1Å; I382-W386 HydrophobicContact CG2-CD2 4.46Å; I382-W386 HydrophobicContact CG2-CH2 3.81Å; I382-W386 HydrophobicContact CG2-CZ2 3.62Å; I382-W386 HydrophobicContact CG2-CZ3 4.33Å; I382-W386 PolarHBondContact O-N 2.95Å; I382-M435 HydrophobicContact CD1-CE 3.48Å; I382-M435 VanDerWaalsContact CD1-CE 3.48Å; I382-M435 HydrophobicContact CG1-CE 4.07Å; I382-Y455 HydrophobicContact CD1-CG 4.36Å; I382-S459 WeakPolarHBondContact CG2-OG 3.47Å; I382-S459 PolarHBondContact N-OG 3.02Å |
| 383 | H | 84 | Confident | 80.6 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.1 | -17.6 | 176.5 | 62.4 | -88.5 | 0 | 0 | 0 | 113.8 | R381 W386 T387 M577 | R381-H383 WeakPolarHBondContact CB-CE1 3.43Å; R381-H383 VanDerWaalsContact CD-CE1 3.4Å; R381-H383 WeakPolarHBondContact CD-CE1 3.31Å; R381-H383 PolarHBondContact NE-NE2 2.86Å; R381-H383 PolarHBondContact NH1-NE2 3.24Å; R381-H383 PolarHBondContact O-N 3.06Å; H383-W386 HydrophobicContact CB-CD2 4.38Å; H383-W386 HydrophobicContact CB-CE3 3.76Å; H383-W386 HydrophobicContact CB-CZ3 4.26Å; H383-W386 PolarHBondContact O-N 3.03Å; H383-T387 WeakPolarHBondContact O-CB 3.06Å; H383-T387 PolarHBondContact O-N 3.49Å; H383-T387 PolarHBondContact O-OG1 2.86Å; H383-M577 HydrophobicContact CB-SD 4.47Å |
| 384 | S | 83.2 | Confident | 80.9 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 167.2 | -92.6 | 0 | 0 | 0 | 0 | 110.3 | R381 I382 T387 F388 L857 | R381-S384 PolarHBondContact NH2-OG 3.46Å; R381-S384 VanDerWaalsContact O-CB 3.3Å; R381-S384 WeakPolarHBondContact O-CB 3.49Å; R381-S384 PolarHBondContact O-N 3.43Å; I382-S384 VanDerWaalsContact C-N 3.25Å; I382-S384 PolarHBondContact O-N 3.12Å; S384-T387 WeakPolarHBondContact O-CB 3.42Å; S384-T387 PolarHBondContact O-N 2.94Å; S384-F388 PolarHBondContact O-N 3.06Å; S384-F388 VanDerWaalsContact O-N 3.15Å; S384-L857 WeakPolarHBondContact CB-O 3.46Å; S384-L857 PolarHBondContact OG-O 3.33Å |
| 385 | L | 88.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | 172.1 | -175.8 | 62.2 | 0 | 0 | 0 | 111.2 | Y366 F369 I382 T387 F388 I389 Y431 L434 | Y366-L385 HydrophobicContact CD1-CD1 4.19Å; Y366-L385 HydrophobicContact CE1-CD1 3.83Å; Y366-L385 HydrophobicContact CE1-CD2 3.98Å; Y366-L385 HydrophobicContact CE1-CG 4.34Å; F369-L385 HydrophobicContact CD1-CD2 4.36Å; F369-L385 HydrophobicContact CD2-CB 3.99Å; F369-L385 HydrophobicContact CD2-CD1 4.25Å; F369-L385 HydrophobicContact CD2-CD2 4.43Å; F369-L385 HydrophobicContact CD2-CG 4.46Å; F369-L385 HydrophobicContact CE1-CD2 4.16Å; F369-L385 HydrophobicContact CE2-CB 3.64Å; F369-L385 HydrophobicContact CE2-CD2 4.26Å; F369-L385 HydrophobicContact CE2-CG 4.41Å; F369-L385 HydrophobicContact CG-CD1 4.47Å; F369-L385 HydrophobicContact CZ-CB 4.14Å; F369-L385 HydrophobicContact CZ-CD2 4.1Å; I382-L385 WeakPolarHBondContact O-CA 3.23Å; I382-L385 WeakPolarHBondContact O-CB 3.03Å; I382-L385 PolarHBondContact O-N 2.96Å; L385-T387 PolarHBondContact O-N 3.34Å; L385-F388 HydrophobicContact CD1-CD1 4.23Å; L385-F388 WeakPolarHBondContact O-CB 3.21Å; L385-F388 PolarHBondContact O-N 3.24Å; L385-F388 VanDerWaalsContact O-N 3.12Å; L385-I389 HydrophobicContact CG-CD1 4.15Å; L385-I389 WeakPolarHBondContact O-CG1 3.34Å; L385-I389 PolarHBondContact O-N 3.17Å; L385-Y431 HydrophobicContact CD2-CD2 4.07Å; L385-Y431 HydrophobicContact CD2-CE2 4.29Å; L385-L434 HydrophobicContact CD2-CD2 3.66Å |
| 386 | W | 91.2 | Very high | 80.4 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.2 | -34.8 | 174.9 | -58 | -13.7 | 0 | 0 | 0 | 112.6 | I382 H383 I389 Q390 F493 I496 P497 M577 | I382-W386 HydrophobicContact CB-CZ2 4.47Å; I382-W386 HydrophobicContact CD1-CZ2 3.91Å; I382-W386 HydrophobicContact CG1-CZ2 4.1Å; I382-W386 HydrophobicContact CG2-CD2 4.46Å; I382-W386 HydrophobicContact CG2-CH2 3.81Å; I382-W386 HydrophobicContact CG2-CZ2 3.62Å; I382-W386 HydrophobicContact CG2-CZ3 4.33Å; I382-W386 PolarHBondContact O-N 2.95Å; H383-W386 HydrophobicContact CB-CD2 4.38Å; H383-W386 HydrophobicContact CB-CE3 3.76Å; H383-W386 HydrophobicContact CB-CZ3 4.26Å; H383-W386 PolarHBondContact O-N 3.03Å; W386-I389 PolarHBondContact O-N 3.34Å; W386-Q390 VanDerWaalsContact O-CB 3.22Å; W386-Q390 WeakPolarHBondContact O-CB 3.38Å; W386-Q390 PolarHBondContact O-N 2.75Å; W386-F493 HydrophobicContact CH2-CB 3.87Å; W386-F493 HydrophobicContact CH2-CD1 4.06Å; W386-F493 HydrophobicContact CH2-CG 4.44Å; W386-F493 HydrophobicContact CZ2-CB 4.46Å; W386-F493 HydrophobicContact CZ3-CD1 4.14Å; W386-I496 HydrophobicContact CB-CG2 4.36Å; W386-I496 HydrophobicContact CD2-CB 4.42Å; W386-I496 HydrophobicContact CD2-CG2 4.17Å; W386-I496 HydrophobicContact CE3-CD1 3.96Å; W386-I496 HydrophobicContact CE3-CG2 4.22Å; W386-I496 HydrophobicContact CG-CG2 4.28Å; W386-I496 HydrophobicContact CH2-CD1 4.24Å; W386-I496 HydrophobicContact CZ3-CD1 3.76Å; W386-P497 HydrophobicContact CG-CG 4.08Å; W386-P497 VanDerWaalsContact NE1-CG 3.31Å; W386-M577 HydrophobicContact CE3-CE 3.74Å; W386-M577 HydrophobicContact CZ3-CE 3.58Å |
| 387 | T | 88.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | H383 S384 L385 Q390 K391 E860 K861 L862 | H383-T387 WeakPolarHBondContact O-CB 3.06Å; H383-T387 PolarHBondContact O-N 3.49Å; H383-T387 PolarHBondContact O-OG1 2.86Å; S384-T387 WeakPolarHBondContact O-CB 3.42Å; S384-T387 PolarHBondContact O-N 2.94Å; L385-T387 PolarHBondContact O-N 3.34Å; T387-Q390 WeakPolarHBondContact O-CB 3.4Å; T387-Q390 PolarHBondContact O-N 3.45Å; T387-K391 HydrophobicContact CG2-CD 4.28Å; T387-K391 WeakPolarHBondContact O-CG 3.33Å; T387-K391 PolarHBondContact O-N 2.86Å; T387-E860 HydrophobicContact CG2-CB 3.87Å; T387-K861 VanDerWaalsContact CG2-O 3.31Å; T387-K861 WeakPolarHBondContact CG2-O 2.73Å; T387-L862 WeakPolarHBondContact OG1-CD2 3.16Å; T387-L862 WeakPolarHBondContact OG1-CG 3.44Å; T387-L862 PolarHBondContact OG1-N 3.17Å |
| 388 | F | 88.7 | Confident | 80.1 | Confident | 12 Ų | 12 | 17.5 Ų | 17.5 | 5% | 0.053 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 174.8 | 166 | -104.2 | 0 | 0 | 0 | 111.6 | H361 I362 T365 Y366 S384 L385 K391 S392 L857 | H361-F388 AromaticContact CE1-CE2 3.81Å; H361-F388 AromaticContact ND1-CE2 3.95Å; I362-F388 HydrophobicContact CB-CZ 4.32Å; I362-F388 HydrophobicContact CG1-CZ 4Å; I362-F388 HydrophobicContact CG2-CE1 4.43Å; I362-F388 HydrophobicContact CG2-CZ 4.46Å; T365-F388 HydrophobicContact CG2-CD1 3.82Å; T365-F388 HydrophobicContact CG2-CD2 3.81Å; T365-F388 HydrophobicContact CG2-CE1 3.95Å; T365-F388 HydrophobicContact CG2-CE2 3.94Å; T365-F388 HydrophobicContact CG2-CG 3.75Å; T365-F388 HydrophobicContact CG2-CZ 4.02Å; Y366-F388 HydrophobicContact CE2-CE1 4.14Å; S384-F388 PolarHBondContact O-N 3.06Å; S384-F388 VanDerWaalsContact O-N 3.15Å; L385-F388 HydrophobicContact CD1-CD1 4.23Å; L385-F388 WeakPolarHBondContact O-CB 3.21Å; L385-F388 PolarHBondContact O-N 3.24Å; L385-F388 VanDerWaalsContact O-N 3.12Å; F388-K391 PolarHBondContact O-N 3.12Å; F388-S392 VanDerWaalsContact CE2-OG 3.29Å; F388-S392 WeakPolarHBondContact CE2-OG 3.06Å; F388-S392 WeakPolarHBondContact CZ-OG 3.49Å; F388-S392 WeakPolarHBondContact O-CB 3.47Å; F388-S392 PolarHBondContact O-N 2.8Å; F388-S392 PolarHBondContact O-OG 3.03Å; F388-L857 HydrophobicContact CB-CD2 4.05Å |
| 389 | I | 91.8 | Very high | 80.1 | Confident | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 178.4 | -61.8 | 171.1 | 0 | 0 | 0 | 110.6 | Y366 L385 W386 S392 G393 T427 Y431 P497 | Y366-I389 VanDerWaalsContact OH-CD1 3.26Å; Y366-I389 WeakPolarHBondContact OH-CD1 3.46Å; L385-I389 HydrophobicContact CG-CD1 4.15Å; L385-I389 WeakPolarHBondContact O-CG1 3.34Å; L385-I389 PolarHBondContact O-N 3.17Å; W386-I389 PolarHBondContact O-N 3.34Å; I389-S392 CarbonylContact O-C 3.6Å; I389-S392 WeakPolarHBondContact O-CA 3.14Å; I389-S392 PolarHBondContact O-N 3.38Å; I389-G393 PolarHBondContact O-N 2.8Å; I389-T427 HydrophobicContact CG1-CG2 4.05Å; I389-T427 HydrophobicContact CG2-CG2 4.09Å; I389-Y431 HydrophobicContact CD1-CD2 3.85Å; I389-Y431 HydrophobicContact CD1-CG 4.35Å; I389-P497 HydrophobicContact CD1-CB 3.8Å; I389-P497 HydrophobicContact CD1-CG 4.03Å |
| 390 | Q | 91.3 | Very high | 79.9 | Confident | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -54.9 | -56.5 | 176.1 | 179.1 | -172.8 | 35.6 | 0 | 0 | 110.9 | W386 T387 S392 G393 Q394 Y500 | W386-Q390 VanDerWaalsContact O-CB 3.22Å; W386-Q390 WeakPolarHBondContact O-CB 3.38Å; W386-Q390 PolarHBondContact O-N 2.75Å; T387-Q390 WeakPolarHBondContact O-CB 3.4Å; T387-Q390 PolarHBondContact O-N 3.45Å; Q390-S392 PolarHBondContact O-N 3.09Å; Q390-G393 WeakPolarHBondContact O-CA 3.38Å; Q390-G393 PolarHBondContact O-N 3.29Å; Q390-Q394 HydrophobicContact CG-CG 4.3Å; Q390-Q394 VanDerWaalsContact NE2-NE2 3.17Å; Q390-Q394 VanDerWaalsContact O-CG 3.24Å; Q390-Q394 WeakPolarHBondContact O-CG 3.34Å; Q390-Q394 PolarHBondContact O-N 3.48Å; Q390-Y500 HydrophobicContact CB-CD1 4.22Å; Q390-Y500 HydrophobicContact CB-CD2 3.8Å; Q390-Y500 HydrophobicContact CB-CE1 4.27Å; Q390-Y500 HydrophobicContact CB-CE2 3.82Å; Q390-Y500 HydrophobicContact CB-CG 4.01Å; Q390-Y500 HydrophobicContact CG-CD1 4.04Å; Q390-Y500 HydrophobicContact CG-CD2 4.38Å; Q390-Y500 HydrophobicContact CG-CE1 3.79Å; Q390-Y500 HydrophobicContact CG-CE2 4.12Å; Q390-Y500 HydrophobicContact CG-CG 4.35Å; Q390-Y500 PolarHBondContact NE2-OH 3.26Å |
| 391 | K | 84.8 | Confident | 79.5 | Confident | 42 Ų | 42 | 17.3 Ų | 17.3 | 18% | 0.183 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.1 | -38 | 179.4 | -73.5 | 176.1 | 162.5 | -168 | 0 | 111.8 | T387 F388 G393 E860 | T387-K391 HydrophobicContact CG2-CD 4.28Å; T387-K391 WeakPolarHBondContact O-CG 3.33Å; T387-K391 PolarHBondContact O-N 2.86Å; F388-K391 PolarHBondContact O-N 3.12Å; K391-G393 PolarHBondContact O-N 2.76Å; K391-E860 HydrophobicContact CD-CB 4.46Å; K391-E860 WeakPolarHBondContact CD-OE2 3.42Å; K391-E860 VanDerWaalsContact NZ-CG 3.32Å; K391-E860 IonicContact NZ-OE1 3.26Å; K391-E860 PolarHBondContact NZ-OE1 2.93Å; K391-E860 IonicContact NZ-OE2 2.63Å; K391-E860 PolarHBondContact NZ-OE2 2.99Å |
| 392 | S | 82 | Confident | 78.8 | Confident | 17 Ų | 17 | 18.1 Ų | 18.1 | 12% | 0.119 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.1 | -8.8 | 173 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | R358 F388 I389 Q390 T419 | R358-S392 PolarHBondContact NH2-O 2.82Å; F388-S392 VanDerWaalsContact CE2-OG 3.29Å; F388-S392 WeakPolarHBondContact CE2-OG 3.06Å; F388-S392 WeakPolarHBondContact CZ-OG 3.49Å; F388-S392 WeakPolarHBondContact O-CB 3.47Å; F388-S392 PolarHBondContact O-N 2.8Å; F388-S392 PolarHBondContact O-OG 3.03Å; I389-S392 CarbonylContact O-C 3.6Å; I389-S392 WeakPolarHBondContact O-CA 3.14Å; I389-S392 PolarHBondContact O-N 3.38Å; Q390-S392 PolarHBondContact O-N 3.09Å; S392-T419 WeakPolarHBondContact O-CG2 3.44Å |
| 393 | G | 84.2 | Confident | 77.7 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -107.5 | -20.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I389 Q390 K391 Y500 Q507 | I389-G393 PolarHBondContact O-N 2.8Å; Q390-G393 WeakPolarHBondContact O-CA 3.38Å; Q390-G393 PolarHBondContact O-N 3.29Å; K391-G393 PolarHBondContact O-N 2.76Å; G393-Y500 WeakPolarHBondContact CA-O 3.46Å; G393-Q507 PolarHBondContact O-NE2 3.2Å |
| 394 | Q | 84.2 | Confident | 76.5 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -90.9 | -21.5 | -171.9 | -72.8 | -180 | -2.1 | 0 | 0 | 114.9 | Q390 S396 R504 D584 Q591 P865 | Q390-Q394 HydrophobicContact CG-CG 4.3Å; Q390-Q394 VanDerWaalsContact NE2-NE2 3.17Å; Q390-Q394 VanDerWaalsContact O-CG 3.24Å; Q390-Q394 WeakPolarHBondContact O-CG 3.34Å; Q390-Q394 PolarHBondContact O-N 3.48Å; Q394-S396 PolarHBondContact O-N 3.42Å; Q394-R504 VanDerWaalsContact NE2-NH1 3.13Å; Q394-D584 PolarHBondContact NE2-OD1 2.71Å; Q394-D584 PolarHBondContact NE2-OD2 3.39Å; Q394-D584 VanDerWaalsContact NE2-OD2 3.14Å; Q394-Q591 PolarHBondContact O-NE2 2.93Å; Q394-P865 HydrophobicContact CB-CB 4.29Å; Q394-P865 HydrophobicContact CB-CG 4.11Å; Q394-P865 VanDerWaalsContact OE1-CD 3.29Å |
| 395 | I | 75.8 | Confident | 75.2 | Confident | 47 Ų | 47 | 33.1 Ų | 33.1 | 24% | 0.241 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -91.1 | 97.1 | -177.4 | -56.7 | 172.6 | 0 | 0 | 0 | 109.1 | T418 T419 P865 | I395-T418 HydrophobicContact CG2-CG2 3.95Å; I395-T419 VanDerWaalsContact O-CB 3.29Å; I395-T419 WeakPolarHBondContact O-CB 3.43Å; I395-T419 WeakPolarHBondContact O-CG2 3.37Å; I395-T419 PolarHBondContact O-N 2.84Å; I395-T419 PolarHBondContact O-OG1 3.43Å; I395-P865 HydrophobicContact CD1-CB 4.17Å; I395-P865 HydrophobicContact CG1-CB 3.8Å; I395-P865 HydrophobicContact CG1-CG 4.42Å |
| 396 | S | 67.3 | Low | 73.6 | Confident | 51 Ų | 51 | 36.8 Ų | 36.8 | 36% | 0.357 | 20% | 0.197 | S | C | . | . | B | Isolated β-bridge | trans | -62 | 148.7 | -178.5 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | Q394 P398 T419 | Q394-S396 PolarHBondContact O-N 3.42Å; S396-P398 VanDerWaalsContact O-CD 3.23Å; S396-P398 WeakPolarHBondContact O-CD 3.46Å; S396-T419 VanDerWaalsContact CA-OG1 3.32Å; S396-T419 WeakPolarHBondContact CA-OG1 3.36Å |
| 397 | C | 66.9 | Low | 71.4 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | trans | -70.2 | 114.9 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 114.2 | Y399 V400 K401 T418 T419 | C397-Y399 PolarHBondContact O-N 2.69Å; C397-V400 HydrophobicContact CB-CB 4.17Å; C397-V400 HydrophobicContact CB-CG2 3.94Å; C397-V400 PolarHBondContact O-N 3.33Å; C397-K401 WeakPolarHBondContact O-CB 3.1Å; C397-K401 PolarHBondContact O-N 3.42Å; C397-T418 WeakPolarHBondContact CA-OG1 3.45Å; C397-T418 VanDerWaalsContact CB-OG1 3.26Å; C397-T418 WeakPolarHBondContact CB-OG1 3.21Å; C397-T418 PolarHBondContact SG-OG1 3.19Å; C397-T419 WeakPolarHBondContact CB-O 3.12Å; C397-T419 PolarHBondContact N-O 3.35Å | ||
| 398 | P | 62.2 | Low | 69.4 | Low | 31 Ų | 31 | 47.4 Ų | 47.4 | 20% | 0.201 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -29.7 | -180 | -22.9 | 34.4 | 0 | 0 | 0 | 112.1 | S396 A402 L416 T418 | S396-P398 VanDerWaalsContact O-CD 3.23Å; S396-P398 WeakPolarHBondContact O-CD 3.46Å; P398-A402 VanDerWaalsContact O-CB 3.24Å; P398-A402 WeakPolarHBondContact O-CB 3.47Å; P398-A402 PolarHBondContact O-N 2.94Å; P398-L416 HydrophobicContact CB-CD1 4.2Å; P398-L416 HydrophobicContact CG-CB 4.12Å; P398-L416 HydrophobicContact CG-CD1 3.93Å; P398-T418 WeakPolarHBondContact CD-OG1 3.23Å; P398-T418 HydrophobicContact CG-CG2 4.09Å |
| 399 | Y | 66.2 | Low | 67.5 | Low | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.3 | -50.2 | 176.5 | -178.4 | -108.5 | 0 | 0 | 0 | 111.7 | V87 H343 K347 Y351 C397 K401 A402 L403 V412 P415 | V87-Y399 HydrophobicContact CG1-CE1 4.4Å; H343-Y399 PolarHBondContact ND1-OH 3.18Å; K347-Y399 HydrophobicContact CB-CE2 3.91Å; K347-Y399 HydrophobicContact CD-CE2 4.36Å; Y351-Y399 AromaticContact CD2-CD1 3.7Å; Y351-Y399 HydrophobicContact CD2-CD1 3.7Å; Y351-Y399 HydrophobicContact CD2-CE1 4.04Å; Y351-Y399 HydrophobicContact CE2-CD1 4.38Å; Y351-Y399 HydrophobicContact CG-CD1 4.42Å; Y351-Y399 HydrophobicContact CG-CE1 4.34Å; C397-Y399 PolarHBondContact O-N 2.69Å; Y399-K401 VanDerWaalsContact C-N 3.29Å; Y399-K401 PolarHBondContact O-N 3.48Å; Y399-A402 PolarHBondContact O-N 3.02Å; Y399-A402 VanDerWaalsContact O-N 3.17Å; Y399-L403 HydrophobicContact CD1-CD1 3.85Å; Y399-L403 HydrophobicContact CE1-CD1 3.56Å; Y399-L403 HydrophobicContact CE1-CG 4.47Å; Y399-L403 HydrophobicContact CG-CD1 4.49Å; Y399-L403 WeakPolarHBondContact O-CG 3.25Å; Y399-L403 PolarHBondContact O-N 2.74Å; Y399-V412 HydrophobicContact CD2-CG1 3.76Å; Y399-V412 HydrophobicContact CE2-CG1 3.7Å; Y399-P415 HydrophobicContact CD1-CG 4.26Å; Y399-P415 HydrophobicContact CD2-CB 4.35Å; Y399-P415 HydrophobicContact CD2-CG 3.59Å; Y399-P415 HydrophobicContact CE2-CG 3.89Å; Y399-P415 HydrophobicContact CG-CB 4.13Å; Y399-P415 HydrophobicContact CG-CG 3.79Å |
| 400 | V | 64 | Low | 65.4 | Low | 31 Ų | 31 | 55.6 Ų | 55.6 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 174.3 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | T91 C397 A402 L403 L404 | T91-V400 HydrophobicContact CG2-CG2 4.06Å; C397-V400 HydrophobicContact CB-CB 4.17Å; C397-V400 HydrophobicContact CB-CG2 3.94Å; C397-V400 PolarHBondContact O-N 3.33Å; V400-A402 VanDerWaalsContact C-N 3.33Å; V400-A402 PolarHBondContact O-N 3.33Å; V400-L403 WeakPolarHBondContact O-CB 3.39Å; V400-L403 PolarHBondContact O-N 3.13Å; V400-L404 HydrophobicContact CG1-CD1 4.14Å; V400-L404 WeakPolarHBondContact O-CG 3.35Å; V400-L404 PolarHBondContact O-N 3.27Å; V400-L404 VanDerWaalsContact O-N 3.1Å |
| 401 | K | 62.4 | Low | 63.4 | Low | 102 Ų | 102 | 62.4 Ų | 62.4 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 176 | -172.4 | 178.7 | 179.2 | -177.7 | 0 | 112.5 | C397 Y399 L403 L404 F405 | C397-K401 WeakPolarHBondContact O-CB 3.1Å; C397-K401 PolarHBondContact O-N 3.42Å; Y399-K401 VanDerWaalsContact C-N 3.29Å; Y399-K401 PolarHBondContact O-N 3.48Å; K401-L403 VanDerWaalsContact C-N 3.32Å; K401-L404 PolarHBondContact O-N 3.41Å; K401-F405 PolarHBondContact O-N 2.87Å |
| 402 | A | 62.4 | Low | 62 | Low | 19 Ų | 19 | 61.2 Ų | 61.2 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.8 | -26.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P398 Y399 V400 V412 | P398-A402 VanDerWaalsContact O-CB 3.24Å; P398-A402 WeakPolarHBondContact O-CB 3.47Å; P398-A402 PolarHBondContact O-N 2.94Å; Y399-A402 PolarHBondContact O-N 3.02Å; Y399-A402 VanDerWaalsContact O-N 3.17Å; V400-A402 VanDerWaalsContact C-N 3.33Å; V400-A402 PolarHBondContact O-N 3.33Å; A402-V412 HydrophobicContact CB-CB 4.32Å; A402-V412 HydrophobicContact CB-CG1 4.01Å; A402-V412 HydrophobicContact CB-CG2 4.32Å |
| 403 | L | 62.3 | Low | 60.7 | Low | 51 Ų | 51 | 65.2 Ų | 65.2 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72.1 | -39.5 | 173.4 | -70.8 | 167.5 | 0 | 0 | 0 | 112.3 | H343 Y399 V400 K401 | H343-L403 WeakPolarHBondContact CE1-CD1 3.38Å; H343-L403 WeakPolarHBondContact NE2-CD1 3.22Å; H343-L403 VanDerWaalsContact NE2-CD2 3.34Å; H343-L403 WeakPolarHBondContact NE2-CD2 3.33Å; Y399-L403 HydrophobicContact CD1-CD1 3.85Å; Y399-L403 HydrophobicContact CE1-CD1 3.56Å; Y399-L403 HydrophobicContact CE1-CG 4.47Å; Y399-L403 HydrophobicContact CG-CD1 4.49Å; Y399-L403 WeakPolarHBondContact O-CG 3.25Å; Y399-L403 PolarHBondContact O-N 2.74Å; V400-L403 WeakPolarHBondContact O-CB 3.39Å; V400-L403 PolarHBondContact O-N 3.13Å; K401-L403 VanDerWaalsContact C-N 3.32Å |
| 404 | L | 57.8 | Low | 59.5 | Low | 122 Ų | 122 | 71.4 Ų | 71.4 | 64% | 0.639 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.7 | -29.5 | -179.7 | -68.9 | 169.2 | 0 | 0 | 0 | 113.3 | V400 K401 | V400-L404 HydrophobicContact CG1-CD1 4.14Å; V400-L404 WeakPolarHBondContact O-CG 3.35Å; V400-L404 PolarHBondContact O-N 3.27Å; V400-L404 VanDerWaalsContact O-N 3.1Å; K401-L404 PolarHBondContact O-N 3.41Å |
| 405 | F | 56.1 | Low | 58.1 | Low | 148 Ų | 148 | 71.7 Ų | 71.7 | 65% | 0.649 | 39% | 0.386 | S | S | * | . | trans | -128.1 | 71.2 | -179.5 | -55.8 | -76.5 | 0 | 0 | 0 | 111.6 | K401 D407 | K401-F405 PolarHBondContact O-N 2.87Å; F405-D407 VanDerWaalsContact C-N 3.27Å; F405-D407 PolarHBondContact O-N 2.65Å | ||
| 406 | P | 54.8 | Low | 57.4 | Low | 78 Ų | 78 | 74.1 Ų | 74.1 | 51% | 0.506 | 40% | 0.399 | S | S | . | . | trans | -76.8 | 81 | 178.3 | 31.6 | -31.7 | 0 | 0 | 0 | 109.3 | D408 | P406-D408 PolarHBondContact O-N 3.13Š| ||
| 407 | D | 45.2 | Very low | 56.9 | Low | 167 Ų | 167 | 75.6 Ų | 75.6 | 89% | 0.893 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -59.9 | -25.9 | 167.1 | -74.3 | -23.3 | 0 | 0 | 0 | 110.6 | F405 | F405-D407 VanDerWaalsContact C-N 3.27Å; F405-D407 PolarHBondContact O-N 2.65Å |
| 408 | D | 47.8 | Very low | 56.9 | Low | 62 Ų | 62 | 76.2 Ų | 76.2 | 33% | 0.332 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -160.3 | 111.1 | 172.6 | -168 | -19.1 | 0 | 0 | 0 | 108.6 | P406 S410 K411 | P406-D408 PolarHBondContact O-N 3.13Å; D408-S410 PolarHBondContact O-N 2.8Å; D408-S410 WeakPolarHBondContact OD1-CB 3.15Å; D408-S410 PolarHBondContact OD1-N 2.63Å; D408-S410 PolarHBondContact OD1-OG 3.29Å; D408-S410 PolarHBondContact OD2-OG 3.43Å; D408-K411 HydrophobicContact CB-CB 4.38Å; D408-K411 HydrophobicContact CB-CD 4Å; D408-K411 HydrophobicContact CB-CG 4.03Å; D408-K411 WeakPolarHBondContact O-CB 3.32Å; D408-K411 PolarHBondContact O-N 3.19Å |
| 409 | P | 48.7 | Very low | 57.6 | Low | 97 Ų | 97 | 75.5 Ų | 75.5 | 63% | 0.63 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -61.2 | -19.2 | -175.9 | 22.8 | -32.1 | 0 | 0 | 0 | 113.1 | K411 | P409-K411 PolarHBondContact O-N 3.47Š|
| 410 | S | 48 | Very low | 58.4 | Low | 88 Ų | 88 | 75.8 Ų | 75.8 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -68 | -22.6 | 172.3 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | D408 | D408-S410 PolarHBondContact O-N 2.8Å; D408-S410 WeakPolarHBondContact OD1-CB 3.15Å; D408-S410 PolarHBondContact OD1-N 2.63Å; D408-S410 PolarHBondContact OD1-OG 3.29Å; D408-S410 PolarHBondContact OD2-OG 3.43Å |
| 411 | K | 48.7 | Very low | 59.5 | Low | 144 Ų | 144 | 74.9 Ų | 74.9 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -96.6 | 9.5 | -177.8 | -64 | -176.6 | -172.3 | 165.8 | 0 | 114.7 | D408 P409 N413 | D408-K411 HydrophobicContact CB-CB 4.38Å; D408-K411 HydrophobicContact CB-CD 4Å; D408-K411 HydrophobicContact CB-CG 4.03Å; D408-K411 WeakPolarHBondContact O-CB 3.32Å; D408-K411 PolarHBondContact O-N 3.19Å; P409-K411 PolarHBondContact O-N 3.47Å; K411-N413 PolarHBondContact O-N 2.81Å; K411-N413 PolarHBondContact O-OD1 2.79Å |
| 412 | V | 54.4 | Low | 60.8 | Low | 16 Ų | 16 | 70.2 Ų | 70.2 | 10% | 0.097 | 38% | 0.378 | C | S | . | . | trans | -59.9 | 105 | 171.7 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | K347 Y399 A402 | K347-V412 HydrophobicContact CD-CB 4.48Å; K347-V412 HydrophobicContact CD-CG1 4.26Å; K347-V412 PolarHBondContact NZ-O 2.87Å; Y399-V412 HydrophobicContact CD2-CG1 3.76Å; Y399-V412 HydrophobicContact CE2-CG1 3.7Å; A402-V412 HydrophobicContact CB-CB 4.32Å; A402-V412 HydrophobicContact CB-CG1 4.01Å; A402-V412 HydrophobicContact CB-CG2 4.32Å | ||
| 413 | N | 55.6 | Low | 62.1 | Low | 101 Ų | 101 | 69.3 Ų | 69.3 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 156.1 | -177.5 | -71.2 | -30.1 | 0 | 0 | 0 | 110.4 | K411 | K411-N413 PolarHBondContact O-N 2.81Å; K411-N413 PolarHBondContact O-OD1 2.79Å |
| 414 | E | 58.3 | Low | 63.5 | Low | 135 Ų | 135 | 67.8 Ų | 67.8 | 63% | 0.631 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 140 | 173.8 | -76.6 | -176 | 176.8 | 0 | 0 | 111.1 | L416 | E414-L416 PolarHBondContact O-N 3.38Å; E414-L416 VanDerWaalsContact O-N 3.12Å |
| 415 | P | 56.1 | Low | 65.1 | Low | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.045 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -50.8 | 116.2 | 171.7 | -22.3 | 27 | 0 | 0 | 0 | 113 | K347 V350 Y351 S354 Y399 | K347-P415 WeakPolarHBondContact O-CG 3.43Å; V350-P415 HydrophobicContact CB-CG 3.98Å; V350-P415 HydrophobicContact CG1-CB 4.06Å; V350-P415 HydrophobicContact CG1-CG 3.83Å; Y351-P415 HydrophobicContact CD2-CB 4.45Å; S354-P415 PolarHBondContact OG-O 2.66Å; Y399-P415 HydrophobicContact CD1-CG 4.26Å; Y399-P415 HydrophobicContact CD2-CB 4.35Å; Y399-P415 HydrophobicContact CD2-CG 3.59Å; Y399-P415 HydrophobicContact CE2-CG 3.89Å; Y399-P415 HydrophobicContact CG-CB 4.13Å; Y399-P415 HydrophobicContact CG-CG 3.79Å |
| 416 | L | 60.6 | Low | 66.8 | Low | 99 Ų | 99 | 55 Ų | 55 | 52% | 0.518 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 162.8 | 178.2 | -80.8 | 144.6 | 0 | 0 | 0 | 110.5 | P398 E414 T418 | P398-L416 HydrophobicContact CB-CD1 4.2Å; P398-L416 HydrophobicContact CG-CB 4.12Å; P398-L416 HydrophobicContact CG-CD1 3.93Å; E414-L416 PolarHBondContact O-N 3.38Å; E414-L416 VanDerWaalsContact O-N 3.12Å; L416-T418 VanDerWaalsContact C-N 3.32Å; L416-T418 HydrophobicContact CB-CG2 4.09Å; L416-T418 PolarHBondContact O-N 3Å; L416-T418 PolarHBondContact O-OG1 3.46Å |
| 417 | L | 57.2 | Low | 68.6 | Low | 82 Ų | 82 | 51.5 Ų | 51.5 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -73.5 | 77.8 | -173.9 | -149.1 | 130.7 | 0 | 0 | 0 | 112 | T357 R358 | T357-L417 HydrophobicContact CG2-CD1 3.43Å; T357-L417 VanDerWaalsContact CG2-CD1 3.43Å; R358-L417 HydrophobicContact CB-CD2 4.18Å; R358-L417 HydrophobicContact CB-CG 4.19Å; R358-L417 PolarHBondContact NH1-O 3.39Å |
| 418 | T | 66 | Low | 70.9 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | trans | -145.2 | 169.6 | -159.8 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | R358 I395 C397 P398 L416 C420 | R358-T418 WeakPolarHBondContact CD-O 3.29Å; R358-T418 PolarHBondContact NE-O 2.71Å; I395-T418 HydrophobicContact CG2-CG2 3.95Å; C397-T418 WeakPolarHBondContact CA-OG1 3.45Å; C397-T418 VanDerWaalsContact CB-OG1 3.26Å; C397-T418 WeakPolarHBondContact CB-OG1 3.21Å; C397-T418 PolarHBondContact SG-OG1 3.19Å; P398-T418 WeakPolarHBondContact CD-OG1 3.23Å; P398-T418 HydrophobicContact CG-CG2 4.09Å; L416-T418 VanDerWaalsContact C-N 3.32Å; L416-T418 HydrophobicContact CB-CG2 4.09Å; L416-T418 PolarHBondContact O-N 3Å; L416-T418 PolarHBondContact O-OG1 3.46Å; T418-C420 PolarHBondContact O-N 3.35Å | ||
| 419 | T | 76.2 | Confident | 72.9 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -71 | 127.3 | -169.4 | 56 | 0 | 0 | 0 | 0 | 114.2 | S392 I395 S396 C397 | S392-T419 WeakPolarHBondContact O-CG2 3.44Å; I395-T419 VanDerWaalsContact O-CB 3.29Å; I395-T419 WeakPolarHBondContact O-CB 3.43Å; I395-T419 WeakPolarHBondContact O-CG2 3.37Å; I395-T419 PolarHBondContact O-N 2.84Å; I395-T419 PolarHBondContact O-OG1 3.43Å; S396-T419 VanDerWaalsContact CA-OG1 3.32Å; S396-T419 WeakPolarHBondContact CA-OG1 3.36Å; C397-T419 WeakPolarHBondContact CB-O 3.12Å; C397-T419 PolarHBondContact N-O 3.35Å |
| 420 | C | 83.5 | Confident | 75 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | trans | -123.7 | 168.6 | 164.1 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | Y351 L355 T418 L422 S423 R424 | Y351-C420 WeakPolarHBondContact OH-CB 3.41Å; Y351-C420 PolarHBondContact OH-SG 3.38Å; L355-C420 VanDerWaalsContact CD1-SG 3.6Å; T418-C420 PolarHBondContact O-N 3.35Å; C420-L422 VanDerWaalsContact C-N 3.33Å; C420-L422 PolarHBondContact O-N 3.02Å; C420-S423 PolarHBondContact N-OG 3.08Å; C420-S423 PolarHBondContact O-N 2.65Å; C420-S423 VanDerWaalsContact O-N 3.16Å; C420-S423 PolarHBondContact O-OG 3.09Å; C420-S423 PolarHBondContact SG-N 2.61Å; C420-S423 VanDerWaalsContact SG-N 3.38Å; C420-R424 WeakPolarHBondContact O-CG 3.43Å; C420-R424 PolarHBondContact O-N 3.04Å | ||
| 421 | V | 87.1 | Confident | 77.1 | Confident | 12 Ų | 12 | 32 Ų | 32 | 7% | 0.073 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -49.8 | -54.8 | 177.7 | 178 | 0 | 0 | 0 | 0 | 110.4 | I134 V139 D144 H145 S423 R424 T425 | I134-V421 HydrophobicContact CG2-CG1 4.04Å; V139-V421 HydrophobicContact CG1-CG1 4.03Å; V139-V421 HydrophobicContact CG2-CG1 4.09Å; D144-V421 HydrophobicContact CB-CG2 4.29Å; D144-V421 VanDerWaalsContact O-CG2 3.22Å; D144-V421 WeakPolarHBondContact O-CG2 3.44Å; H145-V421 HydrophobicContact CB-CG1 4.2Å; H145-V421 HydrophobicContact CB-CG2 4.32Å; V421-S423 VanDerWaalsContact C-N 3.33Å; V421-S423 PolarHBondContact O-N 2.63Å; V421-R424 WeakPolarHBondContact O-CB 3.5Å; V421-R424 PolarHBondContact O-N 3.28Å; V421-T425 PolarHBondContact O-N 3.21Å; V421-T425 PolarHBondContact O-OG1 3.19Å; V421-T425 VanDerWaalsContact O-OG1 3.04Å |
| 422 | L | 90.2 | Very high | 79.1 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | -178.7 | -177.1 | 58 | 0 | 0 | 0 | 112.6 | L90 L130 L355 C420 R424 T425 I426 | L90-L422 HydrophobicContact CD2-CD2 4.21Å; L130-L422 HydrophobicContact CD2-CD1 3.64Å; L130-L422 HydrophobicContact CD2-CD2 4.16Å; L355-L422 HydrophobicContact CD2-CD2 3.98Å; C420-L422 VanDerWaalsContact C-N 3.33Å; C420-L422 PolarHBondContact O-N 3.02Å; L422-R424 VanDerWaalsContact C-N 3.3Å; L422-R424 PolarHBondContact O-N 2.64Å; L422-T425 PolarHBondContact O-N 3.29Å; L422-I426 HydrophobicContact CD1-CD1 4.31Å; L422-I426 HydrophobicContact CD1-CG1 3.91Å; L422-I426 HydrophobicContact CG-CG1 4.33Å; L422-I426 WeakPolarHBondContact O-CB 3.22Å; L422-I426 VanDerWaalsContact O-CG1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3.38Å; L422-I426 PolarHBondContact O-N 3.09Å |
| 423 | S | 90.5 | Very high | 80.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -35.8 | 177.5 | 73.9 | 0 | 0 | 0 | 0 | 113 | R358 C420 V421 T427 | R358-S423 PolarHBondContact NE-OG 3.11Å; C420-S423 PolarHBondContact N-OG 3.08Å; C420-S423 PolarHBondContact O-N 2.65Å; C420-S423 VanDerWaalsContact O-N 3.16Å; C420-S423 PolarHBondContact O-OG 3.09Å; C420-S423 PolarHBondContact SG-N 2.61Å; C420-S423 VanDerWaalsContact SG-N 3.38Å; V421-S423 VanDerWaalsContact C-N 3.33Å; V421-S423 PolarHBondContact O-N 2.63Å; S423-T427 WeakPolarHBondContact O-CB 3.08Å; S423-T427 PolarHBondContact O-N 3.19Å; S423-T427 PolarHBondContact O-OG1 3.2Å |
| 424 | R | 90.5 | Very high | 82.3 | Confident | 19 Ų | 19 | 19.6 Ų | 19.6 | 7% | 0.072 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.5 | -45.7 | 176.5 | -70.7 | -177 | -65.2 | 124.1 | -17.8 | 111 | D144 C420 V421 L422 T427 Y428 C501 L502 N503 | D144-R424 IonicContact OD1-CZ 3.75Å; D144-R424 IonicContact OD1-NH1 3.75Å; D144-R424 IonicContact OD1-NH2 2.89Å; D144-R424 PolarHBondContact OD1-NH2 2.88Å; D144-R424 IonicContact OD2-NH1 3.22Å; C420-R424 WeakPolarHBondContact O-CG 3.43Å; C420-R424 PolarHBondContact O-N 3.04Å; V421-R424 WeakPolarHBondContact O-CB 3.5Å; V421-R424 PolarHBondContact O-N 3.28Å; L422-R424 VanDerWaalsContact C-N 3.3Å; L422-R424 PolarHBondContact O-N 2.64Å; R424-T427 PolarHBondContact O-N 3.21Å; R424-Y428 PolarHBondContact O-N 3.42Å; R424-C501 HydrophobicContact CB-CB 4.47Å; R424-C501 VanDerWaalsContact CB-O 3.29Å; R424-C501 WeakPolarHBondContact CB-O 3.38Å; R424-C501 VanDerWaalsContact CD-O 3.27Å; R424-C501 WeakPolarHBondContact CD-O 3.48Å; R424-C501 PolarHBondContact NH1-O 2.93Å; R424-L502 VanDerWaalsContact NH1-C 3.34Å; R424-N503 VanDerWaalsContact NH1-N 3.16Å |
| 425 | T | 91.2 | Very high | 83.7 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -54.3 | -55.1 | 174.2 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | I133 I134 V137 V421 L422 T427 Y428 T429 | I133-T425 HydrophobicContact CG2-CG2 3.71Å; I133-T425 WeakPolarHBondContact O-CG2 3.37Å; I134-T425 HydrophobicContact CG1-CG2 4.28Å; V137-T425 HydrophobicContact CB-CG2 3.98Å; V137-T425 HydrophobicContact CG2-CG2 3.62Å; V421-T425 PolarHBondContact O-N 3.21Å; V421-T425 PolarHBondContact O-OG1 3.19Å; V421-T425 VanDerWaalsContact O-OG1 3.04Å; L422-T425 PolarHBondContact O-N 3.29Å; T425-T427 VanDerWaalsContact C-N 3.32Å; T425-T427 PolarHBondContact O-N 2.83Å; T425-Y428 PolarHBondContact O-N 3.46Å; T425-Y428 VanDerWaalsContact O-N 3.15Å; T425-T429 PolarHBondContact O-N 2.93Å; T425-T429 PolarHBondContact O-OG1 2.88Å |
| 426 | I | 92.6 | Very high | 85 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.3 | -37.5 | -179.2 | -63 | -62.3 | 0 | 0 | 0 | 111.9 | I133 F222 I226 L359 L422 Y428 T429 F430 | I133-I426 HydrophobicContact CG2-CD1 4.24Å; F222-I426 HydrophobicContact CZ-CD1 4.07Å; F222-I426 HydrophobicContact CZ-CG1 4.39Å; I226-I426 HydrophobicContact CD1-CD1 4.47Å; I226-I426 HydrophobicContact CG1-CD1 4.21Å; I226-I426 HydrophobicContact CG2-CD1 4.15Å; L359-I426 HydrophobicContact CD2-CB 3.93Å; L359-I426 HydrophobicContact CD2-CG1 4.19Å; L359-I426 HydrophobicContact CD2-CG2 4Å; L422-I426 HydrophobicContact CD1-CD1 4.31Å; L422-I426 HydrophobicContact CD1-CG1 3.91Å; L422-I426 HydrophobicContact CG-CG1 4.33Å; L422-I426 WeakPolarHBondContact O-CB 3.22Å; L422-I426 VanDerWaalsContact O-CG1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3.38Å; L422-I426 PolarHBondContact O-N 3.09Å; I426-Y428 VanDerWaalsContact C-N 3.3Å; I426-Y428 PolarHBondContact O-N 3Å; I426-T429 PolarHBondContact O-N 3.36Å; I426-F430 HydrophobicContact CG2-CD2 4.03Å; I426-F430 HydrophobicContact CG2-CE1 4.18Å; I426-F430 HydrophobicContact CG2-CE2 3.59Å; I426-F430 HydrophobicContact CG2-CG 4.47Å; I426-F430 HydrophobicContact CG2-CZ 3.68Å; I426-F430 WeakPolarHBondContact O-CG 3.4Å; I426-F430 PolarHBondContact O-N 3.49Å |
| 427 | T | 92.7 | Very high | 85.9 | Confident | 4 Ų | 4 | 12 Ų | 12 | 3% | 0.025 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.6 | -43.2 | 175.6 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | I362 Y366 I389 S423 R424 T425 Y431 | I362-T427 WeakPolarHBondContact CD1-OG1 3.48Å; Y366-T427 HydrophobicContact CE2-CG2 4.27Å; Y366-T427 PolarHBondContact OH-O 3.39Å; I389-T427 HydrophobicContact CG1-CG2 4.05Å; I389-T427 HydrophobicContact CG2-CG2 4.09Å; S423-T427 WeakPolarHBondContact O-CB 3.08Å; S423-T427 PolarHBondContact O-N 3.19Å; S423-T427 PolarHBondContact O-OG1 3.2Å; R424-T427 PolarHBondContact O-N 3.21Å; T425-T427 VanDerWaalsContact C-N 3.32Å; T425-T427 PolarHBondContact O-N 2.83Å; T427-Y431 PolarHBondContact O-N 3.06Å; T427-Y431 VanDerWaalsContact O-N 3.11Å |
| 428 | Y | 92.4 | Very high | 86.5 | Confident | 5 Ų | 5 | 8.4 Ų | 8.4 | 2% | 0.02 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -76.3 | -34.4 | 178.4 | -169.9 | -115 | 0 | 0 | 0 | 112.9 | V137 R424 T425 I426 F430 Y431 S432 F443 P497 A498 | V137-Y428 HydrophobicContact CB-CD1 4.33Å; V137-Y428 HydrophobicContact CG1-CD1 3.59Å; V137-Y428 HydrophobicContact CG1-CG 4.12Å; V137-Y428 HydrophobicContact CG2-CD1 4.17Å; R424-Y428 PolarHBondContact O-N 3.42Å; T425-Y428 PolarHBondContact O-N 3.46Å; T425-Y428 VanDerWaalsContact O-N 3.15Å; I426-Y428 VanDerWaalsContact C-N 3.3Å; I426-Y428 PolarHBondContact O-N 3Å; Y428-F430 VanDerWaalsContact C-N 3.32Å; Y428-F430 PolarHBondContact O-N 3.29Å; Y428-Y431 HydrophobicContact CD2-CD1 4.2Å; Y428-Y431 AromaticContact CE2-CD1 3.93Å; Y428-Y431 HydrophobicContact CE2-CD1 3.93Å; Y428-Y431 WeakPolarHBondContact O-CB 3.42Å; Y428-Y431 PolarHBondContact O-N 2.91Å; Y428-S432 WeakPolarHBondContact O-CB 2.78Å; Y428-S432 PolarHBondContact O-N 2.85Å; Y428-S432 PolarHBondContact O-OG 2.72Å; Y428-F443 AromaticContact CD1-CD1 3.9Å; Y428-F443 HydrophobicContact CD1-CD1 3.9Å; Y428-F443 HydrophobicContact CD1-CE1 4.31Å; Y428-F443 AromaticContact CE1-CD1 3.8Å; Y428-F443 HydrophobicContact CE1-CD1 3.8Å; Y428-F443 PolarHBondContact OH-O 2.93Å; Y428-F443 VanDerWaalsContact OH-O 3.04Å; Y428-P497 HydrophobicContact CD2-CB 4.48Å; Y428-P497 HydrophobicContact CE2-CB 4.48Å; Y428-A498 HydrophobicContact CD2-CB 4.2Å; Y428-A498 HydrophobicContact CE1-CB 4.48Å; Y428-A498 VanDerWaalsContact CE2-CA 3.45Å; Y428-A498 HydrophobicContact CE2-CB 3.46Å; Y428-A498 VanDerWaalsContact CE2-CB 3.46Å |
| 429 | T | 91.6 | Very high | 87 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 172.1 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | I226 I230 T425 I426 S432 A433 F443 | I226-T429 HydrophobicContact CG2-CG2 4.01Å; I230-T429 HydrophobicContact CD1-CG2 4.06Å; I230-T429 HydrophobicContact CG1-CG2 4.06Å; T425-T429 PolarHBondContact O-N 2.93Å; T425-T429 PolarHBondContact O-OG1 2.88Å; I426-T429 PolarHBondContact O-N 3.36Å; T429-S432 PolarHBondContact O-N 2.94Å; T429-A433 VanDerWaalsContact O-CB 3.29Å; T429-A433 WeakPolarHBondContact O-CB 3.38Å; T429-A433 PolarHBondContact O-N 3.48Å; T429-F443 HydrophobicContact CG2-CZ 4.15Å |
| 430 | F | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.4 | -36 | 175.7 | -69.5 | -14.7 | 0 | 0 | 0 | 113.2 | I226 F278 V282 I362 L363 Y366 I426 Y428 A433 L434 | I226-F430 HydrophobicContact CD1-CE1 3.63Å; I226-F430 HydrophobicContact CD1-CZ 4.11Å; F278-F430 AromaticContact CE1-CD1 3.61Å; F278-F430 HydrophobicContact CE1-CD1 3.61Å; F278-F430 AromaticContact CE1-CE1 3.55Å; F278-F430 HydrophobicContact CE1-CE1 3.55Å; F278-F430 HydrophobicContact CZ-CD1 4.01Å; F278-F430 AromaticContact CZ-CE1 3.63Å; F278-F430 HydrophobicContact CZ-CE1 3.63Å; V282-F430 HydrophobicContact CG1-CZ 3.98Å; I362-F430 HydrophobicContact CG2-CD2 4.15Å; L363-F430 HydrophobicContact CB-CE2 3.95Å; L363-F430 HydrophobicContact CD1-CD2 4.14Å; L363-F430 HydrophobicContact CD1-CE1 4.35Å; L363-F430 HydrophobicContact CD1-CE2 3.42Å; L363-F430 VanDerWaalsContact CD1-CE2 3.42Å; L363-F430 HydrophobicContact CD1-CZ 3.54Å; L363-F430 HydrophobicContact CG-CE2 4.29Å; Y366-F430 HydrophobicContact CD1-CB 4.24Å; Y366-F430 HydrophobicContact CD2-CB 3.83Å; Y366-F430 HydrophobicContact CD2-CD2 4.04Å; Y366-F430 HydrophobicContact CD2-CG 4.46Å; Y366-F430 HydrophobicContact CE1-CB 4.27Å; Y366-F430 HydrophobicContact CE2-CB 3.85Å; Y366-F430 HydrophobicContact CE2-CD2 4.48Å; Y366-F430 HydrophobicContact CG-CB 4.03Å; I426-F430 HydrophobicContact CG2-CD2 4.03Å; I426-F430 HydrophobicContact CG2-CE1 4.18Å; I426-F430 HydrophobicContact CG2-CE2 3.59Å; I426-F430 HydrophobicContact CG2-CG 4.47Å; I426-F430 HydrophobicContact CG2-CZ 3.68Å; I426-F430 WeakPolarHBondContact O-CG 3.4Å; I426-F430 PolarHBondContact O-N 3.49Å; Y428-F430 VanDerWaalsContact C-N 3.32Å; Y428-F430 PolarHBondContact O-N 3.29Å; F430-A433 PolarHBondContact O-N 2.98Å; F430-L434 VanDerWaalsContact O-CB 3.28Å; F430-L434 WeakPolarHBondContact O-CB 3.45Å; F430-L434 PolarHBondContact O-N 3.41Å |
| 431 | Y | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.2 | -48.6 | 171 | -179.9 | -100.7 | 0 | 0 | 0 | 111.4 | Y366 L385 I389 T427 Y428 L434 M435 Y452 P497 | Y366-Y431 WeakPolarHBondContact OH-CB 3.42Å; L385-Y431 HydrophobicContact CD2-CD2 4.07Å; L385-Y431 HydrophobicContact CD2-CE2 4.29Å; I389-Y431 HydrophobicContact CD1-CD2 3.85Å; I389-Y431 HydrophobicContact CD1-CG 4.35Å; T427-Y431 PolarHBondContact O-N 3.06Å; T427-Y431 VanDerWaalsContact O-N 3.11Å; Y428-Y431 HydrophobicContact CD2-CD1 4.2Å; Y428-Y431 AromaticContact CE2-CD1 3.93Å; Y428-Y431 HydrophobicContact CE2-CD1 3.93Å; Y428-Y431 WeakPolarHBondContact O-CB 3.42Å; Y428-Y431 PolarHBondContact O-N 2.91Å; Y431-L434 WeakPolarHBondContact O-CB 3.29Å; Y431-L434 PolarHBondContact O-N 3.13Å; Y431-M435 HydrophobicContact CD1-CG 4.37Å; Y431-M435 HydrophobicContact CD2-CE 4.13Å; Y431-M435 HydrophobicContact CE1-CG 4.02Å; Y431-M435 HydrophobicContact CE2-CE 3.31Å; Y431-M435 HydrophobicContact CE2-CG 4.16Å; Y431-M435 WeakPolarHBondContact O-CG 3.2Å; Y431-M435 PolarHBondContact O-N 3.42Å; Y431-Y452 AromaticContact CE1-CE1 3.87Å; Y431-Y452 HydrophobicContact CE1-CE1 3.87Å; Y431-Y452 AromaticContact CZ-CE1 3.98Å; Y431-P497 HydrophobicContact CD1-CB 3.81Å; Y431-P497 HydrophobicContact CD1-CG 4.3Å; Y431-P497 HydrophobicContact CD2-CB 4.01Å; Y431-P497 HydrophobicContact CD2-CG 3.99Å; Y431-P497 HydrophobicContact CE1-CB 3.81Å; Y431-P497 HydrophobicContact CE1-CG 3.87Å; Y431-P497 HydrophobicContact CE2-CB 4.01Å; Y431-P497 HydrophobicContact CE2-CG 3.53Å; Y431-P497 HydrophobicContact CG-CB 3.9Å; Y431-P497 HydrophobicContact CG-CG 4.34Å; Y431-P497 VanDerWaalsContact CZ-CG 3.47Å |
| 432 | S | 89.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 179.6 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | Y428 T429 L434 M435 W436 | Y428-S432 WeakPolarHBondContact O-CB 2.78Å; Y428-S432 PolarHBondContact O-N 2.85Å; Y428-S432 PolarHBondContact O-OG 2.72Å; T429-S432 PolarHBondContact O-N 2.94Å; S432-L434 VanDerWaalsContact C-N 3.34Å; S432-L434 PolarHBondContact O-N 3.07Å; S432-M435 PolarHBondContact O-N 3.44Å; S432-M435 VanDerWaalsContact O-N 3.16Å; S432-W436 PolarHBondContact O-N 2.97Å |
| 433 | A | 89.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F275 F278 T429 F430 M435 W436 Q437 G438 V440 | F275-A433 HydrophobicContact CD2-CB 4.16Å; F275-A433 HydrophobicContact CE2-CB 3.92Å; F278-A433 HydrophobicContact CE1-CB 4.25Å; T429-A433 VanDerWaalsContact O-CB 3.29Å; T429-A433 WeakPolarHBondContact O-CB 3.38Å; T429-A433 PolarHBondContact O-N 3.48Å; F430-A433 PolarHBondContact O-N 2.98Å; A433-M435 VanDerWaalsContact C-N 3.32Å; A433-M435 PolarHBondContact O-N 2.82Å; A433-W436 CarbonylContact O-C 3.6Å; A433-W436 PolarHBondContact O-N 3.45Å; A433-Q437 CarbonylContact O-C 3.36Å; A433-Q437 PolarHBondContact O-N 2.87Å; A433-G438 PolarHBondContact O-N 3.22Å; A433-V440 HydrophobicContact CB-CG2 3.98Å |
| 434 | L | 89.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 174.2 | 177.3 | 70.5 | 0 | 0 | 0 | 111 | W272 F275 Y366 F369 A370 L385 F430 Y431 S432 W436 Q437 | W272-L434 HydrophobicContact CE3-CD1 3.98Å; W272-L434 HydrophobicContact CZ3-CD1 3.6Å; W272-L434 HydrophobicContact CZ3-CG 4.41Å; F275-L434 HydrophobicContact CD1-CD1 3.69Å; F275-L434 HydrophobicContact CD2-CB 4.32Å; F275-L434 HydrophobicContact CE1-CB 4.25Å; F275-L434 HydrophobicContact CE1-CD1 3.63Å; F275-L434 HydrophobicContact CE2-CB 3.88Å; F275-L434 HydrophobicContact CG-CD1 4.22Å; F275-L434 HydrophobicContact CZ-CB 3.83Å; F275-L434 HydrophobicContact CZ-CD1 4.12Å; Y366-L434 HydrophobicContact CD1-CD2 4.19Å; Y366-L434 HydrophobicContact CE1-CD2 4.36Å; F369-L434 HydrophobicContact CD1-CD1 4.5Å; F369-L434 HydrophobicContact CD1-CD2 3.8Å; F369-L434 HydrophobicContact CE1-CD2 3.84Å; A370-L434 HydrophobicContact CB-CD1 4.31Å; L385-L434 HydrophobicContact CD2-CD2 3.66Å; F430-L434 VanDerWaalsContact O-CB 3.28Å; F430-L434 WeakPolarHBondContact O-CB 3.45Å; F430-L434 PolarHBondContact O-N 3.41Å; Y431-L434 WeakPolarHBondContact O-CB 3.29Å; Y431-L434 PolarHBondContact O-N 3.13Å; S432-L434 VanDerWaalsContact C-N 3.34Å; S432-L434 PolarHBondContact O-N 3.07Å; L434-W436 VanDerWaalsContact C-N 3.26Å; L434-W436 PolarHBondContact O-N 3.23Å; L434-Q437 PolarHBondContact O-N 3.1Å |
| 435 | M | 86.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.1 | -21.6 | -176.7 | -64.8 | -71.9 | 170.1 | 0 | 0 | 112.7 | I382 Y431 S432 A433 S449 M451 Y452 Y455 | I382-M435 HydrophobicContact CD1-CE 3.48Å; I382-M435 VanDerWaalsContact CD1-CE 3.48Å; I382-M435 HydrophobicContact CG1-CE 4.07Å; Y431-M435 HydrophobicContact CD1-CG 4.37Å; Y431-M435 HydrophobicContact CD2-CE 4.13Å; Y431-M435 HydrophobicContact CE1-CG 4.02Å; Y431-M435 HydrophobicContact CE2-CE 3.31Å; Y431-M435 HydrophobicContact CE2-CG 4.16Å; Y431-M435 WeakPolarHBondContact O-CG 3.2Å; Y431-M435 PolarHBondContact O-N 3.42Å; S432-M435 PolarHBondContact O-N 3.44Å; S432-M435 VanDerWaalsContact O-N 3.16Å; A433-M435 VanDerWaalsContact C-N 3.32Å; A433-M435 PolarHBondContact O-N 2.82Å; M435-S449 PolarHBondContact O-OG 3.27Å; M435-M451 WeakPolarHBondContact O-CB 3.4Å; M435-M451 VanDerWaalsContact O-CG 3.29Å; M435-M451 WeakPolarHBondContact O-CG 3.23Å; M435-M451 HydrophobicContact SD-CB 3.97Å; M435-Y452 HydrophobicContact CB-CD1 4.22Å; M435-Y452 HydrophobicContact CB-CE1 3.53Å; M435-Y452 HydrophobicContact CE-CD1 4.49Å; M435-Y452 HydrophobicContact CG-CD1 3.93Å; M435-Y452 HydrophobicContact CG-CE1 3.32Å; M435-Y452 HydrophobicContact SD-CD1 3.47Å; M435-Y452 WeakPolarHBondContact SD-CD1 3.26Å; M435-Y452 HydrophobicContact SD-CE1 3.55Å; M435-Y452 VanDerWaalsContact SD-CE1 3.55Å; M435-Y455 HydrophobicContact CE-CD2 4.16Å; M435-Y455 HydrophobicContact SD-CD2 4.12Å; M435-Y455 HydrophobicContact SD-CE2 4.48Å |
| 436 | W | 84.3 | Confident | 81.7 | Confident | 29 Ų | 29 | 34.2 Ų | 34.2 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 20 | 173.9 | -62.2 | 110.1 | 0 | 0 | 0 | 113.4 | Y262 S432 A433 L434 G438 K439 I441 D442 F448 | Y262-W436 VanDerWaalsContact OH-CH2 3.32Å; Y262-W436 WeakPolarHBondContact OH-CH2 3.49Å; Y262-W436 VanDerWaalsContact OH-CZ3 3.28Å; Y262-W436 WeakPolarHBondContact OH-CZ3 3.34Å; S432-W436 PolarHBondContact O-N 2.97Å; A433-W436 CarbonylContact O-C 3.6Å; A433-W436 PolarHBondContact O-N 3.45Å; L434-W436 VanDerWaalsContact C-N 3.26Å; L434-W436 PolarHBondContact O-N 3.23Å; W436-G438 VanDerWaalsContact C-N 3.34Å; W436-G438 PolarHBondContact O-N 3.35Å; W436-K439 WeakPolarHBondContact CB-O 3.36Å; W436-K439 PolarHBondContact O-N 3.21Å; W436-I441 HydrophobicContact CD2-CB 4.14Å; W436-I441 HydrophobicContact CD2-CD1 4.47Å; W436-I441 HydrophobicContact CD2-CG1 4.31Å; W436-I441 HydrophobicContact CE3-CB 4.12Å; W436-I441 HydrophobicContact CE3-CD1 3.69Å; W436-I441 HydrophobicContact CE3-CG1 4.02Å; W436-I441 HydrophobicContact CH2-CB 4.42Å; W436-I441 HydrophobicContact CZ2-CB 4.47Å; W436-I441 HydrophobicContact CZ3-CB 4.25Å; W436-I441 HydrophobicContact CZ3-CD1 3.83Å; W436-I441 HydrophobicContact CZ3-CG1 4.4Å; W436-D442 HydrophobicContact CZ2-CB 4.46Å; W436-D442 PolarHBondContact NE1-O 3.42Å; W436-D442 VanDerWaalsContact NE1-O 3.13Å; W436-F448 WeakPolarHBondContact CH2-O 3.48Å |
| 437 | Q | 78.4 | Confident | 81 | Confident | 52 Ų | 52 | 35.6 Ų | 35.6 | 24% | 0.243 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 41.3 | 172.9 | -58.2 | 175.6 | -8.6 | 0 | 0 | 114.9 | A433 L434 M451 | A433-Q437 CarbonylContact O-C 3.36Å; A433-Q437 PolarHBondContact O-N 2.87Å; L434-Q437 PolarHBondContact O-N 3.1Å; Q437-M451 HydrophobicContact CG-CG 4.4Å; Q437-M451 PolarHBondContact NE2-SD 3.35Å |
| 438 | G | 70.6 | Confident | 80.3 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | -7.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C229 A433 W436 | C229-G438 PolarHBondContact SG-O 2.95Å; A433-G438 PolarHBondContact O-N 3.22Å; W436-G438 VanDerWaalsContact C-N 3.34Å; W436-G438 PolarHBondContact O-N 3.35Å |
| 439 | K | 74.9 | Confident | 79.8 | Confident | 126 Ų | 126 | 38.4 Ų | 38.4 | 55% | 0.548 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -128.9 | 113 | 175.3 | -65.6 | -176.8 | -177 | -179.7 | 0 | 110.4 | P232 W436 I441 | P232-K439 HydrophobicContact CB-CD 4.22Å; P232-K439 HydrophobicContact CB-CG 4.44Å; P232-K439 HydrophobicContact CG-CB 4.48Å; W436-K439 WeakPolarHBondContact CB-O 3.36Å; W436-K439 PolarHBondContact O-N 3.21Å; K439-I441 PolarHBondContact O-N 3.22Å |
| 440 | V | 69.9 | Low | 79.4 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | trans | -75.4 | 116.2 | -179.7 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | C229 A433 F443 | C229-V440 PolarHBondContact O-N 2.93Å; A433-V440 HydrophobicContact CB-CG2 3.98Å; V440-F443 HydrophobicContact CB-CE2 4.01Å; V440-F443 HydrophobicContact CB-CZ 4.32Å; V440-F443 HydrophobicContact CG1-CD1 4.49Å; V440-F443 HydrophobicContact CG1-CD2 3.58Å; V440-F443 HydrophobicContact CG1-CE1 4.35Å; V440-F443 HydrophobicContact CG1-CE2 3.4Å; V440-F443 VanDerWaalsContact CG1-CE2 3.4Å; V440-F443 HydrophobicContact CG1-CG 4.17Å; V440-F443 HydrophobicContact CG1-CZ 3.84Å; V440-F443 HydrophobicContact CG2-CE2 4.4Å; V440-F443 HydrophobicContact CG2-CZ 4.21Å | ||
| 441 | I | 73.5 | Confident | 79 | Confident | 126 Ų | 126 | 40.8 Ų | 40.8 | 65% | 0.646 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -88.4 | -39.9 | 175.9 | -59.2 | -177.7 | 0 | 0 | 0 | 110 | W436 K439 | W436-I441 HydrophobicContact CD2-CB 4.14Å; W436-I441 HydrophobicContact CD2-CD1 4.47Å; W436-I441 HydrophobicContact CD2-CG1 4.31Å; W436-I441 HydrophobicContact CE3-CB 4.12Å; W436-I441 HydrophobicContact CE3-CD1 3.69Å; W436-I441 HydrophobicContact CE3-CG1 4.02Å; W436-I441 HydrophobicContact CH2-CB 4.42Å; W436-I441 HydrophobicContact CZ2-CB 4.47Å; W436-I441 HydrophobicContact CZ3-CB 4.25Å; W436-I441 HydrophobicContact CZ3-CD1 3.83Å; W436-I441 HydrophobicContact CZ3-CG1 4.4Å; K439-I441 PolarHBondContact O-N 3.22Å |
| 442 | D | 70.9 | Confident | 78.8 | Confident | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | trans | -150.5 | 138.3 | 179.8 | -158.4 | -16.5 | 0 | 0 | 0 | 110.9 | W436 K444 S447 | W436-D442 HydrophobicContact CZ2-CB 4.46Å; W436-D442 PolarHBondContact NE1-O 3.42Å; W436-D442 VanDerWaalsContact NE1-O 3.13Å; D442-K444 VanDerWaalsContact OD1-CB 3.29Å; D442-K444 WeakPolarHBondContact OD1-CB 3.32Å; D442-K444 WeakPolarHBondContact OD1-CG 3.44Å; D442-K444 PolarHBondContact OD1-N 3.23Å; D442-S447 VanDerWaalsContact CG-OG 3.27Å; D442-S447 WeakPolarHBondContact OD2-CB 3.37Å; D442-S447 PolarHBondContact OD2-OG 3.01Å | ||
| 443 | F | 73.8 | Confident | 78.7 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | trans | -90.4 | -16.5 | 172.2 | -82.5 | -87.2 | 0 | 0 | 0 | 112.6 | T136 V137 I230 Y428 T429 V440 P445 | T136-F443 HydrophobicContact CG2-CB 4.46Å; T136-F443 HydrophobicContact CG2-CD2 3.22Å; T136-F443 HydrophobicContact CG2-CE2 3.42Å; T136-F443 VanDerWaalsContact CG2-CE2 3.42Å; T136-F443 HydrophobicContact CG2-CG 3.87Å; T136-F443 HydrophobicContact CG2-CZ 4.22Å; V137-F443 HydrophobicContact CG2-CD1 4.02Å; V137-F443 HydrophobicContact CG2-CE1 3.67Å; V137-F443 HydrophobicContact CG2-CZ 4.41Å; I230-F443 HydrophobicContact CB-CE2 4.31Å; I230-F443 HydrophobicContact CD1-CE2 4.19Å; I230-F443 HydrophobicContact CD1-CZ 3.86Å; I230-F443 HydrophobicContact CG1-CE2 3.89Å; I230-F443 HydrophobicContact CG1-CZ 3.77Å; I230-F443 HydrophobicContact CG2-CE2 3.78Å; I230-F443 HydrophobicContact CG2-CZ 4.48Å; Y428-F443 AromaticContact CD1-CD1 3.9Å; Y428-F443 HydrophobicContact CD1-CD1 3.9Å; Y428-F443 HydrophobicContact CD1-CE1 4.31Å; Y428-F443 AromaticContact CE1-CD1 3.8Å; Y428-F443 HydrophobicContact CE1-CD1 3.8Å; Y428-F443 PolarHBondContact OH-O 2.93Å; Y428-F443 VanDerWaalsContact OH-O 3.04Å; T429-F443 HydrophobicContact CG2-CZ 4.15Å; V440-F443 HydrophobicContact CB-CE2 4.01Å; V440-F443 HydrophobicContact CB-CZ 4.32Å; V440-F443 HydrophobicContact CG1-CD1 4.49Å; V440-F443 HydrophobicContact CG1-CD2 3.58Å; V440-F443 HydrophobicContact CG1-CE1 4.35Å; V440-F443 HydrophobicContact CG1-CE2 3.4Å; V440-F443 VanDerWaalsContact CG1-CE2 3.4Å; V440-F443 HydrophobicContact CG1-CG 4.17Å; V440-F443 HydrophobicContact CG1-CZ 3.84Å; V440-F443 HydrophobicContact CG2-CE2 4.4Å; V440-F443 HydrophobicContact CG2-CZ 4.21Å; F443-P445 VanDerWaalsContact O-CD 3.26Å; F443-P445 WeakPolarHBondContact O-CD 3.47Å | ||
| 444 | K | 74.9 | Confident | 78.5 | Confident | 111 Ų | 111 | 47.7 Ų | 47.7 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | trans | -60.8 | 119.8 | 177.6 | -70.7 | 179.5 | -178.5 | 179.1 | 0 | 108.6 | D442 Q446 S447 | D442-K444 VanDerWaalsContact OD1-CB 3.29Å; D442-K444 WeakPolarHBondContact OD1-CB 3.32Å; D442-K444 WeakPolarHBondContact OD1-CG 3.44Å; D442-K444 PolarHBondContact OD1-N 3.23Å; K444-Q446 PolarHBondContact O-N 3.15Å; K444-S447 WeakPolarHBondContact O-CB 3.35Å; K444-S447 PolarHBondContact O-N 3.06Å | ||
| 445 | P | 63 | Low | 78.4 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -21.5 | -179.6 | -24.4 | 33.7 | 0 | 0 | 0 | 113.4 | F443 S447 H495 A498 | F443-P445 VanDerWaalsContact O-CD 3.26Å; F443-P445 WeakPolarHBondContact O-CD 3.47Å; P445-S447 VanDerWaalsContact C-N 3.27Å; P445-S447 PolarHBondContact O-N 3.45Å; P445-H495 VanDerWaalsContact C-CD2 3.44Å; P445-H495 HydrophobicContact CB-CB 3.95Å; P445-H495 WeakPolarHBondContact CB-CD2 3.33Å; P445-H495 WeakPolarHBondContact CB-NE2 3.32Å; P445-H495 PolarHBondContact O-CD2 3.25Å; P445-H495 PolarHBondContact O-NE2 3.44Å; P445-A498 HydrophobicContact CG-CB 3.96Å |
| 446 | Q | 72.9 | Confident | 78.5 | Confident | 149 Ų | 149 | 48 Ų | 48 | 70% | 0.696 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17 | 180 | -62.9 | 166.2 | 6.4 | 0 | 0 | 113.2 | K444 | K444-Q446 PolarHBondContact O-N 3.15Š|
| 447 | S | 77 | Confident | 78.7 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 20% | 0.203 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -80.4 | 126.4 | -173.3 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | D442 K444 P445 S449 Y452 | D442-S447 VanDerWaalsContact CG-OG 3.27Å; D442-S447 WeakPolarHBondContact OD2-CB 3.37Å; D442-S447 PolarHBondContact OD2-OG 3.01Å; K444-S447 WeakPolarHBondContact O-CB 3.35Å; K444-S447 PolarHBondContact O-N 3.06Å; P445-S447 VanDerWaalsContact C-N 3.27Å; P445-S447 PolarHBondContact O-N 3.45Å; S447-S449 PolarHBondContact O-N 3.36Å; S447-Y452 WeakPolarHBondContact O-CE2 3.4Å |
| 448 | F | 78.9 | Confident | 79 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 29% | 0.285 | 22% | 0.221 | S | C | . | . | trans | -70.9 | 123.7 | -174.4 | 175 | -106 | 0 | 0 | 0 | 112.6 | Y262 W436 P450 F453 T487 T491 | Y262-F448 PolarHBondContact OH-O 3.38Å; Y262-F448 VanDerWaalsContact OH-O 3.08Å; W436-F448 WeakPolarHBondContact CH2-O 3.48Å; F448-P450 HydrophobicContact CE1-CG 4.11Å; F448-F453 HydrophobicContact CE2-CB 3.97Å; F448-F453 HydrophobicContact CZ-CB 4.2Å; F448-T487 HydrophobicContact CD2-CG2 3.26Å; F448-T487 HydrophobicContact CE2-CG2 3.38Å; F448-T487 HydrophobicContact CG-CG2 3.9Å; F448-T487 HydrophobicContact CZ-CG2 4.14Å; F448-T491 HydrophobicContact CB-CG2 4.05Å; F448-T491 HydrophobicContact CD2-CG2 3.75Å; F448-T491 HydrophobicContact CG-CG2 4.41Å | ||
| 449 | S | 82 | Confident | 79.8 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | -109.9 | 134.9 | 161.9 | 167 | 0 | 0 | 0 | 0 | 110.1 | M435 S447 M451 Y452 | M435-S449 PolarHBondContact O-OG 3.27Å; S447-S449 PolarHBondContact O-N 3.36Å; S449-M451 PolarHBondContact O-N 3.18Å; S449-M451 VanDerWaalsContact O-N 3.12Å; S449-M451 WeakPolarHBondContact OG-CB 3.49Å; S449-M451 PolarHBondContact OG-N 2.66Å; S449-Y452 WeakPolarHBondContact O-CB 3.45Å; S449-Y452 PolarHBondContact O-N 3.07Å | ||
| 450 | P | 82.8 | Confident | 80.4 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 24% | 0.24 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.8 | -27.4 | 170 | -24.4 | 33.7 | 0 | 0 | 0 | 113.3 | Y262 F448 F453 R454 | Y262-P450 HydrophobicContact CE1-CG 4.43Å; F448-P450 HydrophobicContact CE1-CG 4.11Å; P450-F453 PolarHBondContact O-N 3.27Å; P450-R454 PolarHBondContact O-N 3.41Å; P450-R454 VanDerWaalsContact O-N 3.09Å |
| 451 | M | 84.8 | Confident | 81.2 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 6% | 0.064 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | 177.4 | -62.6 | -58.8 | 100.9 | 0 | 0 | 111.5 | V270 W272 M435 Q437 S449 F453 R454 Y455 | V270-M451 HydrophobicContact CG1-SD 4.1Å; V270-M451 HydrophobicContact CG2-CE 4.39Å; W272-M451 HydrophobicContact CH2-SD 4.08Å; M435-M451 WeakPolarHBondContact O-CB 3.4Å; M435-M451 VanDerWaalsContact O-CG 3.29Å; M435-M451 WeakPolarHBondContact O-CG 3.23Å; M435-M451 HydrophobicContact SD-CB 3.97Å; Q437-M451 HydrophobicContact CG-CG 4.4Å; Q437-M451 PolarHBondContact NE2-SD 3.35Å; S449-M451 PolarHBondContact O-N 3.18Å; S449-M451 VanDerWaalsContact O-N 3.12Å; S449-M451 WeakPolarHBondContact OG-CB 3.49Å; S449-M451 PolarHBondContact OG-N 2.66Å; M451-F453 VanDerWaalsContact C-N 3.33Å; M451-F453 PolarHBondContact O-N 3.43Å; M451-R454 PolarHBondContact O-N 2.87Å; M451-Y455 HydrophobicContact CB-CD2 4.07Å; M451-Y455 HydrophobicContact CB-CE2 4.16Å; M451-Y455 VanDerWaalsContact O-CB 3.31Å; M451-Y455 WeakPolarHBondContact O-CB 3.49Å; M451-Y455 WeakPolarHBondContact O-CD2 3.49Å; M451-Y455 PolarHBondContact O-N 3.02Å |
| 452 | Y | 86.8 | Confident | 81.6 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.02 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.4 | -48.9 | 175.2 | -62.2 | -37.7 | 0 | 0 | 0 | 111.1 | Y431 M435 S447 S449 F456 T491 A494 | Y431-Y452 AromaticContact CE1-CE1 3.87Å; Y431-Y452 HydrophobicContact CE1-CE1 3.87Å; Y431-Y452 AromaticContact CZ-CE1 3.98Å; M435-Y452 HydrophobicContact CB-CD1 4.22Å; M435-Y452 HydrophobicContact CB-CE1 3.53Å; M435-Y452 HydrophobicContact CE-CD1 4.49Å; M435-Y452 HydrophobicContact CG-CD1 3.93Å; M435-Y452 HydrophobicContact CG-CE1 3.32Å; M435-Y452 HydrophobicContact SD-CD1 3.47Å; M435-Y452 WeakPolarHBondContact SD-CD1 3.26Å; M435-Y452 HydrophobicContact SD-CE1 3.55Å; M435-Y452 VanDerWaalsContact SD-CE1 3.55Å; S447-Y452 WeakPolarHBondContact O-CE2 3.4Å; S449-Y452 WeakPolarHBondContact O-CB 3.45Å; S449-Y452 PolarHBondContact O-N 3.07Å; Y452-F456 WeakPolarHBondContact O-CB 3.31Å; Y452-F456 PolarHBondContact O-N 3.16Å; Y452-T491 HydrophobicContact CD2-CG2 4.36Å; Y452-A494 HydrophobicContact CD1-CB 3.5Å; Y452-A494 HydrophobicContact CD2-CB 3.77Å; Y452-A494 HydrophobicContact CE1-CB 3.58Å; Y452-A494 HydrophobicContact CE2-CB 3.9Å; Y452-A494 HydrophobicContact CG-CB 3.62Å |
| 453 | F | 87.9 | Confident | 82.2 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 13% | 0.132 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.9 | -54.2 | 178.7 | -177.1 | -88.1 | 0 | 0 | 0 | 111.5 | F448 P450 M451 Y455 F456 L457 I476 M483 F486 S490 | F448-F453 HydrophobicContact CE2-CB 3.97Å; F448-F453 HydrophobicContact CZ-CB 4.2Å; P450-F453 PolarHBondContact O-N 3.27Å; M451-F453 VanDerWaalsContact C-N 3.33Å; M451-F453 PolarHBondContact O-N 3.43Å; F453-Y455 PolarHBondContact O-N 2.95Å; F453-F456 PolarHBondContact O-N 3.47Å; F453-L457 HydrophobicContact CD1-CD1 3.79Å; F453-L457 HydrophobicContact CD1-CG 4.39Å; F453-L457 HydrophobicContact CE1-CD1 3.2Å; F453-L457 HydrophobicContact CE1-CG 4.17Å; F453-L457 HydrophobicContact CE2-CD1 4.48Å; F453-L457 HydrophobicContact CZ-CD1 3.61Å; F453-L457 HydrophobicContact CZ-CG 4.44Å; F453-L457 WeakPolarHBondContact O-CG 3.47Å; F453-L457 PolarHBondContact O-N 3.13Å; F453-I476 HydrophobicContact CZ-CG2 4.05Å; F453-M483 HydrophobicContact CE1-CE 4.14Å; F453-M483 HydrophobicContact CE2-CE 3.87Å; F453-M483 HydrophobicContact CE2-SD 4.29Å; F453-M483 HydrophobicContact CZ-CE 3.54Å; F453-M483 HydrophobicContact CZ-SD 3.72Å; F453-F486 HydrophobicContact CD2-CB 4.05Å; F453-F486 HydrophobicContact CE2-CB 3.41Å; F453-F486 VanDerWaalsContact CE2-CB 3.41Å; F453-F486 HydrophobicContact CZ-CB 4.19Å; F453-S490 WeakPolarHBondContact CA-OG 3.45Å |
| 454 | R | 85.8 | Confident | 82.8 | Confident | 110 Ų | 110 | 33.6 Ų | 33.6 | 42% | 0.415 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.5 | -46.8 | -177.4 | -177.5 | 168.2 | 178.4 | 159.6 | -3.9 | 111.9 | P450 M451 L457 N458 | P450-R454 PolarHBondContact O-N 3.41Å; P450-R454 VanDerWaalsContact O-N 3.09Å; M451-R454 PolarHBondContact O-N 2.87Å; R454-L457 PolarHBondContact O-N 3.11Å; R454-N458 WeakPolarHBondContact O-CB 3.46Å; R454-N458 PolarHBondContact O-N 3.27Å; R454-N458 PolarHBondContact O-ND2 2.97Å; R454-N458 VanDerWaalsContact O-ND2 3.16Å; R454-N458 PolarHBondContact O-OD1 3.28Å |
| 455 | Y | 85.7 | Confident | 83.2 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.6 | -34.6 | -177 | -79.8 | -53.5 | 0 | 0 | 0 | 114.5 | W272 H373 I382 M435 M451 F453 S459 | W272-Y455 AromaticContact CH2-CE2 3.82Å; W272-Y455 HydrophobicContact CH2-CE2 3.82Å; W272-Y455 AromaticContact CH2-CZ 3.63Å; W272-Y455 WeakPolarHBondContact CH2-OH 3.04Å; W272-Y455 HydrophobicContact CZ2-CE2 4.42Å; W272-Y455 AromaticContact CZ2-CZ 3.83Å; W272-Y455 WeakPolarHBondContact CZ2-OH 3.47Å; H373-Y455 AromaticContact CD2-CE1 3.68Å; H373-Y455 AromaticContact CE1-CE1 3.93Å; H373-Y455 AromaticContact NE2-CE1 3.38Å; H373-Y455 WeakPolarHBondContact NE2-CE1 3.27Å; I382-Y455 HydrophobicContact CD1-CG 4.36Å; M435-Y455 HydrophobicContact CE-CD2 4.16Å; M435-Y455 HydrophobicContact SD-CD2 4.12Å; M435-Y455 HydrophobicContact SD-CE2 4.48Å; M451-Y455 HydrophobicContact CB-CD2 4.07Å; M451-Y455 HydrophobicContact CB-CE2 4.16Å; M451-Y455 VanDerWaalsContact O-CB 3.31Å; M451-Y455 WeakPolarHBondContact O-CB 3.49Å; M451-Y455 WeakPolarHBondContact O-CD2 3.49Å; M451-Y455 PolarHBondContact O-N 3.02Å; F453-Y455 PolarHBondContact O-N 2.95Å; Y455-S459 PolarHBondContact O-N 3.42Å; Y455-S459 VanDerWaalsContact O-N 3.13Å; Y455-S459 PolarHBondContact O-OG 2.91Å |
| 456 | F | 89.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -51.6 | 171.9 | 177.8 | -89.5 | 0 | 0 | 0 | 110.2 | Y452 F453 N458 S459 W460 F486 L489 F493 F573 I574 | Y452-F456 WeakPolarHBondContact O-CB 3.31Å; Y452-F456 PolarHBondContact O-N 3.16Å; F453-F456 PolarHBondContact O-N 3.47Å; F456-N458 PolarHBondContact O-N 2.82Å; F456-S459 PolarHBondContact O-N 2.99Å; F456-S459 VanDerWaalsContact O-N 3.16Å; F456-W460 PolarHBondContact O-N 2.86Å; F456-W460 VanDerWaalsContact O-N 3.17Å; F456-F486 HydrophobicContact CD1-CD1 4.46Å; F456-F486 HydrophobicContact CE1-CD1 4.08Å; F456-F486 HydrophobicContact CE1-CE1 4.31Å; F456-L489 HydrophobicContact CE1-CD2 3.65Å; F456-L489 HydrophobicContact CE1-CG 4.02Å; F456-L489 HydrophobicContact CE2-CG 4.23Å; F456-L489 HydrophobicContact CZ-CD2 3.51Å; F456-L489 HydrophobicContact CZ-CG 3.67Å; F456-F493 HydrophobicContact CD2-CB 4.08Å; F456-F493 HydrophobicContact CD2-CG 4.28Å; F456-F493 HydrophobicContact CE2-CB 4.21Å; F456-F493 HydrophobicContact CE2-CD1 4.48Å; F456-F493 AromaticContact CE2-CD2 3.85Å; F456-F493 HydrophobicContact CE2-CD2 3.85Å; F456-F493 HydrophobicContact CE2-CE2 4.41Å; F456-F493 AromaticContact CE2-CG 3.9Å; F456-F493 HydrophobicContact CE2-CG 3.9Å; F456-F573 HydrophobicContact CD2-CE1 4.48Å; F456-F573 AromaticContact CE2-CE1 3.84Å; F456-F573 HydrophobicContact CE2-CE1 3.84Å; F456-F573 HydrophobicContact CZ-CD1 4.33Å; F456-F573 HydrophobicContact CZ-CE1 4.02Å; F456-I574 HydrophobicContact CE2-CD1 4.17Å; F456-I574 HydrophobicContact CZ-CD1 3.83Å |
| 457 | L | 88.9 | Confident | 84.6 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.4 | -48.3 | 177.3 | -74 | -173.6 | 0 | 0 | 0 | 111.3 | F453 R454 S459 W460 H461 I476 F486 | F453-L457 HydrophobicContact CD1-CD1 3.79Å; F453-L457 HydrophobicContact CD1-CG 4.39Å; F453-L457 HydrophobicContact CE1-CD1 3.2Å; F453-L457 HydrophobicContact CE1-CG 4.17Å; F453-L457 HydrophobicContact CE2-CD1 4.48Å; F453-L457 HydrophobicContact CZ-CD1 3.61Å; F453-L457 HydrophobicContact CZ-CG 4.44Å; F453-L457 WeakPolarHBondContact O-CG 3.47Å; F453-L457 PolarHBondContact O-N 3.13Å; R454-L457 PolarHBondContact O-N 3.11Å; L457-S459 PolarHBondContact O-N 3.26Å; L457-W460 HydrophobicContact CD2-CE3 3.77Å; L457-W460 HydrophobicContact CD2-CZ3 3.84Å; L457-W460 PolarHBondContact O-N 3.47Å; L457-W460 VanDerWaalsContact O-N 3.12Å; L457-H461 VanDerWaalsContact C-CD2 3.42Å; L457-H461 WeakPolarHBondContact O-CB 3.48Å; L457-H461 PolarHBondContact O-CD2 2.87Å; L457-H461 PolarHBondContact O-N 3.11Å; L457-I476 HydrophobicContact CD2-CD1 4.07Å; L457-F486 HydrophobicContact CD2-CD1 3.74Å; L457-F486 HydrophobicContact CD2-CE1 3.97Å; L457-F486 HydrophobicContact CD2-CG 4.2Å |
| 458 | N | 84.5 | Confident | 85.1 | Confident | 24 Ų | 24 | 30 Ų | 30 | 13% | 0.128 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -53.3 | -41.5 | 178 | -72.8 | -22.8 | 0 | 0 | 0 | 112.8 | P379 R454 F456 Q462 | P379-N458 HydrophobicContact CB-CB 4.14Å; P379-N458 WeakPolarHBondContact CB-ND2 3.26Å; P379-N458 HydrophobicContact CG-CB 3.7Å; P379-N458 WeakPolarHBondContact CG-ND2 3.28Å; R454-N458 WeakPolarHBondContact O-CB 3.46Å; R454-N458 PolarHBondContact O-N 3.27Å; R454-N458 PolarHBondContact O-ND2 2.97Å; R454-N458 VanDerWaalsContact O-ND2 3.16Å; R454-N458 PolarHBondContact O-OD1 3.28Å; F456-N458 PolarHBondContact O-N 2.82Å; N458-Q462 PolarHBondContact O-N 2.86Å |
| 459 | S | 86.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.1 | -36.9 | -178.1 | -56.5 | 0 | 0 | 0 | 0 | 112 | I382 Y455 F456 L457 | I382-S459 WeakPolarHBondContact CG2-OG 3.47Å; I382-S459 PolarHBondContact N-OG 3.02Å; Y455-S459 PolarHBondContact O-N 3.42Å; Y455-S459 VanDerWaalsContact O-N 3.13Å; Y455-S459 PolarHBondContact O-OG 2.91Å; F456-S459 PolarHBondContact O-N 2.99Å; F456-S459 VanDerWaalsContact O-N 3.16Å; L457-S459 PolarHBondContact O-N 3.26Å |
| 460 | W | 88.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.4 | -44.7 | 174 | 165.1 | 41.3 | 0 | 0 | 0 | 112.3 | F456 L457 Q462 L463 E464 I472 I476 F486 I532 I568 L570 F573 | F456-W460 PolarHBondContact O-N 2.86Å; F456-W460 VanDerWaalsContact O-N 3.17Å; L457-W460 HydrophobicContact CD2-CE3 3.77Å; L457-W460 HydrophobicContact CD2-CZ3 3.84Å; L457-W460 PolarHBondContact O-N 3.47Å; L457-W460 VanDerWaalsContact O-N 3.12Å; W460-Q462 PolarHBondContact O-N 3.4Å; W460-L463 WeakPolarHBondContact O-CB 3.48Å; W460-L463 PolarHBondContact O-N 3.24Å; W460-E464 HydrophobicContact CZ2-CG 4.49Å; W460-E464 PolarHBondContact NE1-OE1 3.36Å; W460-I472 HydrophobicContact CH2-CG2 3.75Å; W460-I472 HydrophobicContact CZ3-CG2 4.15Å; W460-I476 HydrophobicContact CH2-CD1 4.46Å; W460-I476 HydrophobicContact CZ3-CD1 3.99Å; W460-F486 AromaticContact CE3-CE1 3.95Å; W460-F486 HydrophobicContact CE3-CE1 3.95Å; W460-F486 HydrophobicContact CE3-CZ 4.3Å; W460-F486 HydrophobicContact CH2-CE1 4.33Å; W460-F486 AromaticContact CH2-CZ 3.87Å; W460-F486 HydrophobicContact CH2-CZ 3.87Å; W460-F486 AromaticContact CZ3-CE1 3.57Å; W460-F486 HydrophobicContact CZ3-CE1 3.57Å; W460-F486 HydrophobicContact CZ3-CE2 4.47Å; W460-F486 AromaticContact CZ3-CZ 3.48Å; W460-F486 HydrophobicContact CZ3-CZ 3.48Å; W460-F486 VanDerWaalsContact CZ3-CZ 3.48Å; W460-I532 HydrophobicContact CH2-CD1 4.07Å; W460-I568 HydrophobicContact CH2-CG2 4.37Å; W460-I568 HydrophobicContact CZ2-CG2 3.45Å; W460-I568 VanDerWaalsContact CZ2-CG2 3.45Å; W460-L570 HydrophobicContact CD2-CB 4.47Å; W460-L570 HydrophobicContact CD2-CD1 3.8Å; W460-L570 HydrophobicContact CE3-CD1 4.11Å; W460-L570 HydrophobicContact CG-CD1 4.11Å; W460-L570 HydrophobicContact CZ2-CB 3.85Å; W460-L570 HydrophobicContact CZ2-CD1 4.45Å; W460-F573 HydrophobicContact CB-CD1 3.84Å; W460-F573 HydrophobicContact CB-CE1 4.15Å; W460-F573 HydrophobicContact CB-CG 4.24Å; W460-F573 HydrophobicContact CG-CD1 4.44Å |
| 461 | H | 86.7 | Confident | 86.2 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.4 | -25.7 | -178.6 | -83.5 | -64.8 | 0 | 0 | 0 | 113.5 | L457 L463 E464 R469 E473 | L457-H461 VanDerWaalsContact C-CD2 3.42Å; L457-H461 WeakPolarHBondContact O-CB 3.48Å; L457-H461 PolarHBondContact O-CD2 2.87Å; L457-H461 PolarHBondContact O-N 3.11Å; H461-L463 PolarHBondContact O-N 3.27Å; H461-E464 PolarHBondContact O-N 3.4Å; H461-E464 VanDerWaalsContact O-O 3.12Å; H461-R469 HydrophobicContact CB-CG 4.06Å; H461-R469 PolarHBondContact O-NE 2.82Å; H461-R469 PolarHBondContact O-NH2 3.47Å; H461-E473 IonicContact NE2-OE1 2.72Å |
| 462 | Q | 80.2 | Confident | 86.5 | Confident | 48 Ų | 48 | 32.3 Ų | 32.3 | 22% | 0.224 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.5 | 174.4 | -73.6 | -174 | -6 | 0 | 0 | 113.6 | P379 N458 W460 E464 R469 | P379-Q462 PolarHBondContact O-NE2 3.31Å; N458-Q462 PolarHBondContact O-N 2.86Å; W460-Q462 PolarHBondContact O-N 3.4Å; Q462-E464 VanDerWaalsContact C-N 3.29Å; Q462-R469 PolarHBondContact O-NH2 2.93Å |
| 463 | L | 83.8 | Confident | 86.6 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -14.3 | 175.1 | -61.7 | 175.7 | 0 | 0 | 0 | 112.6 | W460 H461 N569 F573 L621 I709 | W460-L463 WeakPolarHBondContact O-CB 3.48Å; W460-L463 PolarHBondContact O-N 3.24Å; H461-L463 PolarHBondContact O-N 3.27Å; L463-N569 HydrophobicContact CB-CB 4.28Å; L463-N569 PolarHBondContact O-ND2 3.02Å; L463-F573 HydrophobicContact CD1-CB 3.78Å; L463-F573 HydrophobicContact CD1-CD2 3.92Å; L463-F573 HydrophobicContact CD1-CG 4.24Å; L463-L621 HydrophobicContact CD1-CD2 4.34Å; L463-L621 HydrophobicContact CD2-CD1 4.37Å; L463-L621 HydrophobicContact CD2-CD2 4.47Å; L463-I709 HydrophobicContact CD1-CD1 4.23Å; L463-I709 HydrophobicContact CD2-CB 3.86Å; L463-I709 HydrophobicContact CD2-CD1 4.15Å; L463-I709 HydrophobicContact CD2-CG2 3.92Å; L463-I709 HydrophobicContact CG-CD1 4.25Å |
| 464 | E | 87.1 | Confident | 86.8 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -94.9 | 147.3 | 179.7 | -55.3 | -54.5 | 156.3 | 0 | 0 | 112.1 | W460 H461 Q462 T466 R469 I472 N569 | W460-E464 HydrophobicContact CZ2-CG 4.49Å; W460-E464 PolarHBondContact NE1-OE1 3.36Å; H461-E464 PolarHBondContact O-N 3.4Å; H461-E464 VanDerWaalsContact O-O 3.12Å; Q462-E464 VanDerWaalsContact C-N 3.29Å; E464-T466 PolarHBondContact O-N 3.16Å; E464-R469 HydrophobicContact CB-CG 4.46Å; E464-R469 PolarHBondContact O-NE 3.18Å; E464-R469 VanDerWaalsContact O-NE 3.14Å; E464-R469 PolarHBondContact O-NH2 2.97Å; E464-I472 HydrophobicContact CB-CD1 4.29Å; E464-I472 HydrophobicContact CG-CD1 4.01Å; E464-N569 WeakPolarHBondContact OE1-CA 3.34Å; E464-N569 WeakPolarHBondContact OE1-CB 3.38Å; E464-N569 PolarHBondContact OE1-N 3.09Å; E464-N569 PolarHBondContact OE2-ND2 3.12Å |
| 465 | P | 83.4 | Confident | 87.1 | Confident | 29 Ų | 29 | 33.2 Ų | 33.2 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | trans | -53.7 | 138.7 | 172.2 | -25.8 | 34.9 | 0 | 0 | 0 | 112 | T467 H468 R469 | P465-T467 PolarHBondContact O-N 2.96Å; P465-T467 VanDerWaalsContact O-N 3.09Å; P465-H468 HydrophobicContact CB-CB 4.47Å; P465-H468 WeakPolarHBondContact O-CB 3.38Å; P465-H468 PolarHBondContact O-N 3.14Å; P465-R469 PolarHBondContact O-N 3.33Å | ||
| 466 | T | 81.5 | Confident | 87.4 | Confident | 97 Ų | 97 | 33.1 Ų | 33.1 | 60% | 0.595 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.8 | -178.6 | 51 | 0 | 0 | 0 | 0 | 113 | E464 H468 P470 | E464-T466 PolarHBondContact O-N 3.16Å; T466-H468 VanDerWaalsContact C-N 3.34Å; T466-P470 WeakPolarHBondContact O-CD 3.38Å |
| 467 | T | 83.9 | Confident | 87.4 | Confident | 97 Ų | 97 | 36.3 Ų | 36.3 | 60% | 0.595 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.8 | 175.7 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | P465 | P465-T467 PolarHBondContact O-N 2.96Å; P465-T467 VanDerWaalsContact O-N 3.09Å |
| 468 | H | 88.1 | Confident | 87.5 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 12% | 0.116 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -33.7 | -178.4 | -64.3 | 178.9 | 0 | 0 | 0 | 112.1 | P465 T466 L471 I472 L536 | P465-H468 HydrophobicContact CB-CB 4.47Å; P465-H468 WeakPolarHBondContact O-CB 3.38Å; P465-H468 PolarHBondContact O-N 3.14Å; T466-H468 VanDerWaalsContact C-N 3.34Å; H468-L471 WeakPolarHBondContact O-CA 3.29Å; H468-L471 WeakPolarHBondContact O-CB 3.31Å; H468-L471 PolarHBondContact O-N 3.43Å; H468-I472 HydrophobicContact CB-CD1 3.95Å; H468-I472 HydrophobicContact CB-CG1 4.45Å; H468-I472 WeakPolarHBondContact O-CG1 2.98Å; H468-I472 PolarHBondContact O-N 2.99Å; H468-L536 HydrophobicContact CB-CD2 4.07Å |
| 469 | R | 88.1 | Confident | 87.8 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -46.9 | -56.4 | -174.2 | -60.6 | 176.9 | -171.2 | 177.5 | 1 | 114.4 | H461 Q462 E464 P465 L471 I472 E473 | H461-R469 HydrophobicContact CB-CG 4.06Å; H461-R469 PolarHBondContact O-NE 2.82Å; H461-R469 PolarHBondContact O-NH2 3.47Å; Q462-R469 PolarHBondContact O-NH2 2.93Å; E464-R469 HydrophobicContact CB-CG 4.46Å; E464-R469 PolarHBondContact O-NE 3.18Å; E464-R469 VanDerWaalsContact O-NE 3.14Å; E464-R469 PolarHBondContact O-NH2 2.97Å; P465-R469 PolarHBondContact O-N 3.33Å; R469-L471 VanDerWaalsContact C-N 3.26Å; R469-L471 PolarHBondContact O-N 2.69Å; R469-I472 PolarHBondContact O-N 3.39Å; R469-E473 PolarHBondContact O-N 3.08Å |
| 470 | P | 87.7 | Confident | 88 | Confident | 78 Ų | 78 | 45.5 Ų | 45.5 | 51% | 0.506 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.5 | -27.3 | -178.9 | 27.3 | -35.8 | 0 | 0 | 0 | 113 | T466 N474 | T466-P470 WeakPolarHBondContact O-CD 3.38Å; P470-N474 WeakPolarHBondContact O-CB 3Å; P470-N474 PolarHBondContact O-N 3.21Å; P470-N474 VanDerWaalsContact O-N 3.14Å |
| 471 | L | 90.3 | Very high | 88.2 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.3 | -40 | 176.1 | -63.5 | 175.6 | 0 | 0 | 0 | 111.1 | H468 R469 N474 V475 L536 L540 | H468-L471 WeakPolarHBondContact O-CA 3.29Å; H468-L471 WeakPolarHBondContact O-CB 3.31Å; H468-L471 PolarHBondContact O-N 3.43Å; R469-L471 VanDerWaalsContact C-N 3.26Å; R469-L471 PolarHBondContact O-N 2.69Å; L471-N474 PolarHBondContact O-N 3.45Å; L471-V475 WeakPolarHBondContact O-CG2 3.42Å; L471-V475 PolarHBondContact O-N 3.01Å; L471-L536 HydrophobicContact CB-CD1 3.43Å; L471-L536 VanDerWaalsContact CB-CD1 3.43Å; L471-L536 HydrophobicContact CD1-CD1 3.82Å; L471-L536 HydrophobicContact CG-CD1 4.29Å; L471-L540 HydrophobicContact CD1-CD2 3.64Å; L471-L540 HydrophobicContact CD1-CG 4.17Å |
| 472 | I | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 175.5 | -67.9 | 168.2 | 0 | 0 | 0 | 109.9 | W460 E464 H468 R469 N474 V475 I476 I532 L536 I568 | W460-I472 HydrophobicContact CH2-CG2 3.75Å; W460-I472 HydrophobicContact CZ3-CG2 4.15Å; E464-I472 HydrophobicContact CB-CD1 4.29Å; E464-I472 HydrophobicContact CG-CD1 4.01Å; H468-I472 HydrophobicContact CB-CD1 3.95Å; H468-I472 HydrophobicContact CB-CG1 4.45Å; H468-I472 WeakPolarHBondContact O-CG1 2.98Å; H468-I472 PolarHBondContact O-N 2.99Å; R469-I472 PolarHBondContact O-N 3.39Å; I472-N474 VanDerWaalsContact C-N 3.26Å; I472-N474 PolarHBondContact O-N 3.13Å; I472-V475 WeakPolarHBondContact O-CB 3.44Å; I472-V475 PolarHBondContact O-N 3.22Å; I472-V475 VanDerWaalsContact O-N 3.08Å; I472-I476 HydrophobicContact CG2-CD1 3.73Å; I472-I476 HydrophobicContact CG2-CG1 4.35Å; I472-I476 WeakPolarHBondContact O-CG1 3.08Å; I472-I476 PolarHBondContact O-N 2.92Å; I472-I532 HydrophobicContact CG1-CG2 4.21Å; I472-I532 HydrophobicContact CG2-CG2 4.2Å; I472-L536 HydrophobicContact CD1-CD2 4.43Å; I472-L536 HydrophobicContact CG1-CD1 4.46Å; I472-L536 HydrophobicContact CG1-CD2 4.15Å; I472-I568 HydrophobicContact CD1-CD1 3.8Å; I472-I568 HydrophobicContact CG1-CD1 4.34Å |
| 473 | E | 89.6 | Confident | 89 | Confident | 93 Ų | 93 | 51.1 Ų | 51.1 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.3 | -43.2 | 175.6 | -72.9 | 178.4 | 171.7 | 0 | 0 | 111.4 | H461 R469 I476 S477 | H461-E473 IonicContact NE2-OE1 2.72Å; R469-E473 PolarHBondContact O-N 3.08Å; E473-I476 PolarHBondContact O-N 2.69Å; E473-S477 WeakPolarHBondContact O-CB 3.33Å; E473-S477 PolarHBondContact O-N 2.97Å; E473-S477 PolarHBondContact O-OG 3.35Å |
| 474 | N | 90.9 | Very high | 89.4 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 176.5 | -171.5 | -75.7 | 0 | 0 | 0 | 112.7 | P470 L471 I472 S477 N478 K539 | P470-N474 WeakPolarHBondContact O-CB 3Å; P470-N474 PolarHBondContact O-N 3.21Å; P470-N474 VanDerWaalsContact O-N 3.14Å; L471-N474 PolarHBondContact O-N 3.45Å; I472-N474 VanDerWaalsContact C-N 3.26Å; I472-N474 PolarHBondContact O-N 3.13Å; N474-S477 WeakPolarHBondContact CA-OG 3.28Å; N474-S477 PolarHBondContact O-OG 3.04Å; N474-S477 VanDerWaalsContact O-OG 3.06Å; N474-N478 WeakPolarHBondContact O-CB 3.32Å; N474-N478 PolarHBondContact O-N 2.91Å; N474-N478 PolarHBondContact O-ND2 3.13Å; N474-N478 PolarHBondContact OD1-ND2 3.21Å; N474-K539 WeakPolarHBondContact OD1-CE 3.26Å; N474-K539 PolarHBondContact OD1-NZ 3.46Å |
| 475 | V | 92.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 173.5 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | L471 I472 S477 N478 I479 L482 E535 K539 | L471-V475 WeakPolarHBondContact O-CG2 3.42Å; L471-V475 PolarHBondContact O-N 3.01Å; I472-V475 WeakPolarHBondContact O-CB 3.44Å; I472-V475 PolarHBondContact O-N 3.22Å; I472-V475 VanDerWaalsContact O-N 3.08Å; V475-S477 PolarHBondContact O-N 3.16Å; V475-N478 PolarHBondContact O-N 3.41Å; V475-I479 HydrophobicContact CG1-CD1 4.02Å; V475-I479 PolarHBondContact O-N 3.14Å; V475-L482 HydrophobicContact CG1-CD1 3.95Å; V475-E535 HydrophobicContact CG1-CB 3.75Å; V475-E535 HydrophobicContact CG1-CG 4.3Å; V475-E535 HydrophobicContact CG2-CB 3.92Å; V475-K539 HydrophobicContact CG2-CD 3.67Å; V475-K539 VanDerWaalsContact CG2-CE 3.42Å |
| 476 | I | 91.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60 | -48.2 | -179.1 | -66.9 | 169 | 0 | 0 | 0 | 109.9 | F453 L457 W460 I472 E473 N478 I479 L482 M483 F486 I532 | F453-I476 HydrophobicContact CZ-CG2 4.05Å; L457-I476 HydrophobicContact CD2-CD1 4.07Å; W460-I476 HydrophobicContact CH2-CD1 4.46Å; W460-I476 HydrophobicContact CZ3-CD1 3.99Å; I472-I476 HydrophobicContact CG2-CD1 3.73Å; I472-I476 HydrophobicContact CG2-CG1 4.35Å; I472-I476 WeakPolarHBondContact O-CG1 3.08Å; I472-I476 PolarHBondContact O-N 2.92Å; E473-I476 PolarHBondContact O-N 2.69Å; I476-N478 VanDerWaalsContact C-N 3.27Å; I476-N478 PolarHBondContact O-N 2.84Å; I476-I479 PolarHBondContact O-N 3.04Å; I476-L482 HydrophobicContact CG2-CB 4.5Å; I476-M483 HydrophobicContact CG2-CG 4.46Å; I476-M483 HydrophobicContact CG2-SD 3.57Å; I476-M483 VanDerWaalsContact CG2-SD 3.57Å; I476-M483 VanDerWaalsContact O-CG 3.26Å; I476-M483 WeakPolarHBondContact O-CG 3.41Å; I476-F486 HydrophobicContact CD1-CD2 3.93Å; I476-F486 HydrophobicContact CD1-CE2 3.57Å; I476-F486 HydrophobicContact CD1-CZ 3.98Å; I476-F486 HydrophobicContact CG1-CD2 4.07Å; I476-F486 HydrophobicContact CG1-CE2 3.76Å; I476-F486 HydrophobicContact CG2-CD2 3.91Å; I476-F486 HydrophobicContact CG2-CE2 4.46Å; I476-I532 HydrophobicContact CG1-CD1 4.42Å |
| 477 | S | 90.3 | Very high | 90.6 | Very high | 71 Ų | 71 | 50.6 Ų | 50.6 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.1 | -28.4 | -179 | 67.6 | 0 | 0 | 0 | 0 | 114.3 | E473 N474 V475 | E473-S477 WeakPolarHBondContact O-CB 3.33Å; E473-S477 PolarHBondContact O-N 2.97Å; E473-S477 PolarHBondContact O-OG 3.35Å; N474-S477 WeakPolarHBondContact CA-OG 3.28Å; N474-S477 PolarHBondContact O-OG 3.04Å; N474-S477 VanDerWaalsContact O-OG 3.06Å; V475-S477 PolarHBondContact O-N 3.16Å |
| 478 | N | 90.9 | Very high | 91 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 53% | 0.529 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -85.1 | -17.5 | -178 | -68 | -25.7 | 0 | 0 | 0 | 113.6 | N474 V475 I476 | N474-N478 WeakPolarHBondContact O-CB 3.32Å; N474-N478 PolarHBondContact O-N 2.91Å; N474-N478 PolarHBondContact O-ND2 3.13Å; N474-N478 PolarHBondContact OD1-ND2 3.21Å; V475-N478 PolarHBondContact O-N 3.41Å; I476-N478 VanDerWaalsContact C-N 3.27Å; I476-N478 PolarHBondContact O-N 2.84Å |
| 479 | I | 91.7 | Very high | 91.2 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.179 | 27% | 0.272 | C | S | . | . | trans | -112.2 | 105.6 | -176.1 | -58.2 | 176.7 | 0 | 0 | 0 | 108.6 | V475 I476 E481 L482 M483 E535 | V475-I479 HydrophobicContact CG1-CD1 4.02Å; V475-I479 PolarHBondContact O-N 3.14Å; I476-I479 PolarHBondContact O-N 3.04Å; I479-E481 VanDerWaalsContact C-N 3.26Å; I479-E481 HydrophobicContact CG2-CB 4.39Å; I479-E481 VanDerWaalsContact CG2-OE2 3.32Å; I479-E481 WeakPolarHBondContact CG2-OE2 3.36Å; I479-E481 PolarHBondContact O-N 3.37Å; I479-L482 HydrophobicContact CB-CB 4.16Å; I479-L482 HydrophobicContact CB-CD1 3.95Å; I479-L482 HydrophobicContact CB-CG 3.92Å; I479-L482 HydrophobicContact CD1-CD1 3.84Å; I479-L482 HydrophobicContact CG1-CD1 4.4Å; I479-L482 HydrophobicContact CG2-CB 4.27Å; I479-L482 HydrophobicContact CG2-CD1 4.23Å; I479-L482 HydrophobicContact CG2-CG 3.78Å; I479-L482 WeakPolarHBondContact O-CB 3.23Å; I479-L482 PolarHBondContact O-N 2.94Å; I479-M483 PolarHBondContact O-N 2.99Å; I479-M483 VanDerWaalsContact O-N 3.09Å; I479-E535 HydrophobicContact CD1-CG 4.06Å | ||
| 480 | P | 91 | Very high | 91.4 | Very high | 93 Ų | 93 | 46 Ų | 46 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -56 | -36.7 | -176.2 | -26.7 | 35 | 0 | 0 | 0 | 114.1 | L482 M483 S484 | P480-L482 VanDerWaalsContact C-N 3.33Å; P480-L482 PolarHBondContact O-N 3.29Å; P480-M483 PolarHBondContact O-N 3.46Å; P480-S484 WeakPolarHBondContact O-CB 3.29Å; P480-S484 PolarHBondContact O-N 2.81Å |
| 481 | E | 92.2 | Very high | 91.4 | Very high | 102 Ų | 102 | 43 Ų | 43 | 48% | 0.477 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 178.1 | -61.6 | 80.8 | -179.5 | 0 | 0 | 111.5 | I479 S484 F485 | I479-E481 VanDerWaalsContact C-N 3.26Å; I479-E481 HydrophobicContact CG2-CB 4.39Å; I479-E481 VanDerWaalsContact CG2-OE2 3.32Å; I479-E481 WeakPolarHBondContact CG2-OE2 3.36Å; I479-E481 PolarHBondContact O-N 3.37Å; E481-S484 PolarHBondContact O-N 3.34Å; E481-F485 WeakPolarHBondContact O-CB 3.37Å; E481-F485 PolarHBondContact O-N 2.88Å |
| 482 | L | 92.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.1 | -43.6 | 175.4 | -65.8 | -173.9 | 0 | 0 | 0 | 111.1 | V475 I476 I479 P480 S484 F485 F486 V528 I532 | V475-L482 HydrophobicContact CG1-CD1 3.95Å; I476-L482 HydrophobicContact CG2-CB 4.5Å; I479-L482 HydrophobicContact CB-CB 4.16Å; I479-L482 HydrophobicContact CB-CD1 3.95Å; I479-L482 HydrophobicContact CB-CG 3.92Å; I479-L482 HydrophobicContact CD1-CD1 3.84Å; I479-L482 HydrophobicContact CG1-CD1 4.4Å; I479-L482 HydrophobicContact CG2-CB 4.27Å; I479-L482 HydrophobicContact CG2-CD1 4.23Å; I479-L482 HydrophobicContact CG2-CG 3.78Å; I479-L482 WeakPolarHBondContact O-CB 3.23Å; I479-L482 PolarHBondContact O-N 2.94Å; P480-L482 VanDerWaalsContact C-N 3.33Å; P480-L482 PolarHBondContact O-N 3.29Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.05Å; L482-F485 PolarHBondContact O-N 2.69Å; L482-F486 VanDerWaalsContact O-CD2 3.27Å; L482-F486 WeakPolarHBondContact O-CD2 3.26Å; L482-F486 PolarHBondContact O-N 2.86Å; L482-V528 HydrophobicContact CD2-CB 4.42Å; L482-V528 HydrophobicContact CD2-CG1 3.7Å; L482-V528 HydrophobicContact CD2-CG2 4.17Å; L482-I532 HydrophobicContact CD1-CG1 3.86Å |
| 483 | M | 91.5 | Very high | 91.3 | Very high | 64 Ų | 64 | 44 Ų | 44 | 32% | 0.315 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56 | -46.5 | 174.1 | -78.1 | -56.5 | -59.8 | 0 | 0 | 111.6 | F453 I476 I479 P480 T487 | F453-M483 HydrophobicContact CE1-CE 4.14Å; F453-M483 HydrophobicContact CE2-CE 3.87Å; F453-M483 HydrophobicContact CE2-SD 4.29Å; F453-M483 HydrophobicContact CZ-CE 3.54Å; F453-M483 HydrophobicContact CZ-SD 3.72Å; I476-M483 HydrophobicContact CG2-CG 4.46Å; I476-M483 HydrophobicContact CG2-SD 3.57Å; I476-M483 VanDerWaalsContact CG2-SD 3.57Å; I476-M483 VanDerWaalsContact O-CG 3.26Å; I476-M483 WeakPolarHBondContact O-CG 3.41Å; I479-M483 PolarHBondContact O-N 2.99Å; I479-M483 VanDerWaalsContact O-N 3.09Å; P480-M483 PolarHBondContact O-N 3.46Å; M483-T487 VanDerWaalsContact O-CB 3.26Å; M483-T487 WeakPolarHBondContact O-CB 3.43Å; M483-T487 PolarHBondContact O-N 3.41Å; M483-T487 PolarHBondContact O-OG1 3.42Å |
| 484 | S | 91.3 | Very high | 91.2 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 51% | 0.51 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 112 | P480 E481 L482 T487 T488 | P480-S484 WeakPolarHBondContact O-CB 3.29Å; P480-S484 PolarHBondContact O-N 2.81Å; E481-S484 PolarHBondContact O-N 3.34Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.05Å; S484-T487 WeakPolarHBondContact O-CB 3.1Å; S484-T487 PolarHBondContact O-N 3.4Å; S484-T488 PolarHBondContact O-N 2.91Å; S484-T488 PolarHBondContact O-OG1 2.86Å |
| 485 | F | 93.7 | Very high | 91.1 | Very high | 28 Ų | 28 | 38 Ų | 38 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -53 | 176.5 | 175.8 | -99.3 | 0 | 0 | 0 | 112 | E481 L482 T487 T488 L489 L521 E524 V528 L570 | E481-F485 WeakPolarHBondContact O-CB 3.37Å; E481-F485 PolarHBondContact O-N 2.88Å; L482-F485 PolarHBondContact O-N 2.69Å; F485-T487 VanDerWaalsContact C-N 3.29Å; F485-T487 PolarHBondContact O-N 2.88Å; F485-T488 PolarHBondContact O-N 2.89Å; F485-T488 VanDerWaalsContact O-N 3.11Å; F485-L489 HydrophobicContact CE1-CD2 3.8Å; F485-L489 HydrophobicContact CZ-CD2 4.17Å; F485-L489 WeakPolarHBondContact O-CB 3.38Å; F485-L489 PolarHBondContact O-N 2.85Å; F485-L521 HydrophobicContact CE2-CD1 4.3Å; F485-E524 HydrophobicContact CE2-CB 3.86Å; F485-E524 HydrophobicContact CZ-CB 4.39Å; F485-V528 HydrophobicContact CD1-CB 4.24Å; F485-V528 HydrophobicContact CD1-CG1 3.94Å; F485-V528 HydrophobicContact CD1-CG2 3.73Å; F485-V528 HydrophobicContact CD2-CG2 4.13Å; F485-V528 HydrophobicContact CE1-CB 4Å; F485-V528 HydrophobicContact CE1-CG1 3.92Å; F485-V528 HydrophobicContact CE1-CG2 3.78Å; F485-V528 HydrophobicContact CE2-CG2 4.19Å; F485-V528 HydrophobicContact CG-CG2 3.9Å; F485-V528 HydrophobicContact CZ-CB 4.42Å; F485-V528 HydrophobicContact CZ-CG2 4.01Å; F485-L570 HydrophobicContact CE1-CD2 4.46Å |
| 486 | F | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.6 | -28.9 | -179.6 | -80 | -73.8 | 0 | 0 | 0 | 113 | F453 F456 L457 W460 I476 L482 L489 S490 V528 I532 L570 | F453-F486 HydrophobicContact CD2-CB 4.05Å; F453-F486 HydrophobicContact CE2-CB 3.41Å; F453-F486 VanDerWaalsContact CE2-CB 3.41Å; F453-F486 HydrophobicContact CZ-CB 4.19Å; F456-F486 HydrophobicContact CD1-CD1 4.46Å; F456-F486 HydrophobicContact CE1-CD1 4.08Å; F456-F486 HydrophobicContact CE1-CE1 4.31Å; L457-F486 HydrophobicContact CD2-CD1 3.74Å; L457-F486 HydrophobicContact CD2-CE1 3.97Å; L457-F486 HydrophobicContact CD2-CG 4.2Å; W460-F486 AromaticContact CE3-CE1 3.95Å; W460-F486 HydrophobicContact CE3-CE1 3.95Å; W460-F486 HydrophobicContact CE3-CZ 4.3Å; W460-F486 HydrophobicContact CH2-CE1 4.33Å; W460-F486 AromaticContact CH2-CZ 3.87Å; W460-F486 HydrophobicContact CH2-CZ 3.87Å; W460-F486 AromaticContact CZ3-CE1 3.57Å; W460-F486 HydrophobicContact CZ3-CE1 3.57Å; W460-F486 HydrophobicContact CZ3-CE2 4.47Å; W460-F486 AromaticContact CZ3-CZ 3.48Å; W460-F486 HydrophobicContact CZ3-CZ 3.48Å; W460-F486 VanDerWaalsContact CZ3-CZ 3.48Å; I476-F486 HydrophobicContact CD1-CD2 3.93Å; I476-F486 HydrophobicContact CD1-CE2 3.57Å; I476-F486 HydrophobicContact CD1-CZ 3.98Å; I476-F486 HydrophobicContact CG1-CD2 4.07Å; I476-F486 HydrophobicContact CG1-CE2 3.76Å; I476-F486 HydrophobicContact CG2-CD2 3.91Å; I476-F486 HydrophobicContact CG2-CE2 4.46Å; L482-F486 VanDerWaalsContact O-CD2 3.27Å; L482-F486 WeakPolarHBondContact O-CD2 3.26Å; L482-F486 PolarHBondContact O-N 2.86Å; F486-L489 HydrophobicContact CD1-CD2 4.16Å; F486-L489 HydrophobicContact CE1-CD2 4.3Å; F486-S490 WeakPolarHBondContact O-CB 3.49Å; F486-S490 PolarHBondContact O-N 2.93Å; F486-S490 PolarHBondContact O-OG 2.79Å; F486-V528 HydrophobicContact CE2-CG1 4Å; F486-V528 HydrophobicContact CZ-CG1 4.12Å; F486-I532 HydrophobicContact CE2-CD1 3.77Å; F486-I532 HydrophobicContact CZ-CD1 3.8Å; F486-L570 HydrophobicContact CE1-CD1 4.04Å; F486-L570 HydrophobicContact CE1-CD2 3.96Å; F486-L570 HydrophobicContact CZ-CD2 3.82Å |
| 487 | T | 91.9 | Very high | 91.1 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 170 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | F448 M483 S484 F485 S490 T491 | F448-T487 HydrophobicContact CD2-CG2 3.26Å; F448-T487 HydrophobicContact CE2-CG2 3.38Å; F448-T487 HydrophobicContact CG-CG2 3.9Å; F448-T487 HydrophobicContact CZ-CG2 4.14Å; M483-T487 VanDerWaalsContact O-CB 3.26Å; M483-T487 WeakPolarHBondContact O-CB 3.43Å; M483-T487 PolarHBondContact O-N 3.41Å; M483-T487 PolarHBondContact O-OG1 3.42Å; S484-T487 WeakPolarHBondContact O-CB 3.1Å; S484-T487 PolarHBondContact O-N 3.4Å; F485-T487 VanDerWaalsContact C-N 3.29Å; F485-T487 PolarHBondContact O-N 2.88Å; T487-S490 PolarHBondContact O-OG 2.94Å; T487-S490 VanDerWaalsContact O-OG 3.09Å; T487-T491 WeakPolarHBondContact O-CB 3.17Å; T487-T491 VanDerWaalsContact O-CG2 3.31Å; T487-T491 WeakPolarHBondContact O-CG2 3.36Å; T487-T491 PolarHBondContact O-N 3.48Å; T487-T491 PolarHBondContact O-OG1 3.14Å |
| 488 | T | 91.2 | Very high | 91.1 | Very high | 83 Ų | 83 | 35.3 Ų | 35.3 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.4 | -41.7 | 177.3 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | S484 F485 T491 H492 | S484-T488 PolarHBondContact O-N 2.91Å; S484-T488 PolarHBondContact O-OG1 2.86Å; F485-T488 PolarHBondContact O-N 2.89Å; F485-T488 VanDerWaalsContact O-N 3.11Å; T488-T491 WeakPolarHBondContact CA-OG1 3.34Å; T488-T491 PolarHBondContact O-OG1 3.49Å; T488-H492 WeakPolarHBondContact O-CB 3.32Å; T488-H492 PolarHBondContact O-N 2.91Å |
| 489 | L | 92.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -47.2 | 179 | -176.7 | 61.6 | 0 | 0 | 0 | 111.5 | F456 F485 F486 H492 F493 L521 L570 I574 | F456-L489 HydrophobicContact CE1-CD2 3.65Å; F456-L489 HydrophobicContact CE1-CG 4.02Å; F456-L489 HydrophobicContact CE2-CG 4.23Å; F456-L489 HydrophobicContact CZ-CD2 3.51Å; F456-L489 HydrophobicContact CZ-CG 3.67Å; F485-L489 HydrophobicContact CE1-CD2 3.8Å; F485-L489 HydrophobicContact CZ-CD2 4.17Å; F485-L489 WeakPolarHBondContact O-CB 3.38Å; F485-L489 PolarHBondContact O-N 2.85Å; F486-L489 HydrophobicContact CD1-CD2 4.16Å; F486-L489 HydrophobicContact CE1-CD2 4.3Å; L489-H492 WeakPolarHBondContact O-CB 3.03Å; L489-H492 PolarHBondContact O-N 2.74Å; L489-F493 HydrophobicContact CD1-CD2 3.82Å; L489-F493 HydrophobicContact CD1-CE2 3.65Å; L489-F493 HydrophobicContact CG-CD2 4.31Å; L489-F493 WeakPolarHBondContact O-CD2 3.35Å; L489-F493 PolarHBondContact O-N 3.28Å; L489-L521 HydrophobicContact CD1-CD1 4.18Å; L489-L521 HydrophobicContact CD1-CD2 3.59Å; L489-L521 HydrophobicContact CD1-CG 3.97Å; L489-L570 HydrophobicContact CD2-CD1 4.43Å; L489-I574 HydrophobicContact CD1-CD1 4.42Å; L489-I574 HydrophobicContact CD2-CD1 4.49Å |
| 490 | S | 91.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 179.1 | 58 | 0 | 0 | 0 | 0 | 112.6 | F453 F486 T487 F493 A494 | F453-S490 WeakPolarHBondContact CA-OG 3.45Å; F486-S490 WeakPolarHBondContact O-CB 3.49Å; F486-S490 PolarHBondContact O-N 2.93Å; F486-S490 PolarHBondContact O-OG 2.79Å; T487-S490 PolarHBondContact O-OG 2.94Å; T487-S490 VanDerWaalsContact O-OG 3.09Å; S490-F493 PolarHBondContact O-N 3.43Å; S490-A494 WeakPolarHBondContact O-CB 3.35Å; S490-A494 PolarHBondContact O-N 2.62Å |
| 491 | T | 88.7 | Confident | 91.2 | Very high | 17 Ų | 17 | 25.6 Ų | 25.6 | 10% | 0.104 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.3 | -37.8 | 173.1 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | F448 Y452 T487 T488 A494 H495 | F448-T491 HydrophobicContact CB-CG2 4.05Å; F448-T491 HydrophobicContact CD2-CG2 3.75Å; F448-T491 HydrophobicContact CG-CG2 4.41Å; Y452-T491 HydrophobicContact CD2-CG2 4.36Å; T487-T491 WeakPolarHBondContact O-CB 3.17Å; T487-T491 VanDerWaalsContact O-CG2 3.31Å; T487-T491 WeakPolarHBondContact O-CG2 3.36Å; T487-T491 PolarHBondContact O-N 3.48Å; T487-T491 PolarHBondContact O-OG1 3.14Å; T488-T491 WeakPolarHBondContact CA-OG1 3.34Å; T488-T491 PolarHBondContact O-OG1 3.49Å; T491-A494 WeakPolarHBondContact O-CB 3.08Å; T491-A494 PolarHBondContact O-N 3.12Å; T491-H495 PolarHBondContact O-CD2 3.31Å; T491-H495 PolarHBondContact O-NE2 3.49Å |
| 492 | H | 89.2 | Confident | 91 | Very high | 47 Ų | 47 | 22.1 Ų | 22.1 | 22% | 0.218 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.6 | -61.4 | 171.6 | -171 | 75.2 | 0 | 0 | 0 | 109.1 | T488 L489 A494 H495 W514 | T488-H492 WeakPolarHBondContact O-CB 3.32Å; T488-H492 PolarHBondContact O-N 2.91Å; L489-H492 WeakPolarHBondContact O-CB 3.03Å; L489-H492 PolarHBondContact O-N 2.74Å; H492-A494 PolarHBondContact O-N 3.42Å; H492-A494 VanDerWaalsContact O-N 3.08Å; H492-H495 PolarHBondContact O-CD2 2.9Å; H492-H495 PolarHBondContact O-N 3.03Å; H492-W514 AromaticContact CD2-CH2 3.75Å; H492-W514 AromaticContact CD2-CZ2 3.88Å; H492-W514 AromaticContact CD2-CZ3 3.98Å; H492-W514 AromaticContact CE1-CE2 3.64Å; H492-W514 AromaticContact CE1-CZ2 3.73Å; H492-W514 AromaticContact CE1-NE1 3.95Å; H492-W514 AromaticContact ND1-CZ2 3.91Å; H492-W514 AromaticContact NE2-CD2 3.8Å; H492-W514 AromaticContact NE2-CE2 3.72Å; H492-W514 AromaticContact NE2-CE3 3.85Å; H492-W514 AromaticContact NE2-CH2 3.87Å; H492-W514 AromaticContact NE2-CZ2 3.72Å; H492-W514 AromaticContact NE2-CZ3 3.9Å; H492-W514 WeakPolarHBondContact O-CH2 3.05Å; H492-W514 WeakPolarHBondContact O-CZ2 3.42Å |
| 493 | F | 90.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.4 | -24.4 | -178.9 | -86.4 | -91.6 | 0 | 0 | 0 | 114.7 | W386 F456 L489 S490 H495 I496 L518 L521 I574 M577 | W386-F493 HydrophobicContact CH2-CB 3.87Å; W386-F493 HydrophobicContact CH2-CD1 4.06Å; W386-F493 HydrophobicContact CH2-CG 4.44Å; W386-F493 HydrophobicContact CZ2-CB 4.46Å; W386-F493 HydrophobicContact CZ3-CD1 4.14Å; F456-F493 HydrophobicContact CD2-CB 4.08Å; F456-F493 HydrophobicContact CD2-CG 4.28Å; F456-F493 HydrophobicContact CE2-CB 4.21Å; F456-F493 HydrophobicContact CE2-CD1 4.48Å; F456-F493 AromaticContact CE2-CD2 3.85Å; F456-F493 HydrophobicContact CE2-CD2 3.85Å; F456-F493 HydrophobicContact CE2-CE2 4.41Å; F456-F493 AromaticContact CE2-CG 3.9Å; F456-F493 HydrophobicContact CE2-CG 3.9Å; L489-F493 HydrophobicContact CD1-CD2 3.82Å; L489-F493 HydrophobicContact CD1-CE2 3.65Å; L489-F493 HydrophobicContact CG-CD2 4.31Å; L489-F493 WeakPolarHBondContact O-CD2 3.35Å; L489-F493 PolarHBondContact O-N 3.28Å; S490-F493 PolarHBondContact O-N 3.43Å; F493-H495 PolarHBondContact O-N 3.38Å; F493-H495 VanDerWaalsContact O-N 3.17Å; F493-I496 HydrophobicContact CD1-CD1 3.61Å; F493-I496 HydrophobicContact CE1-CD1 4.15Å; F493-I496 WeakPolarHBondContact O-CB 3.25Å; F493-I496 WeakPolarHBondContact O-CG1 3.36Å; F493-I496 PolarHBondContact O-N 2.97Å; F493-L518 HydrophobicContact CE2-CD1 4.3Å; F493-L518 HydrophobicContact CZ-CD1 4.1Å; F493-L521 HydrophobicContact CE2-CD2 4.49Å; F493-I574 HydrophobicContact CE2-CD1 3.73Å; F493-I574 HydrophobicContact CZ-CD1 3.72Å; F493-I574 HydrophobicContact CZ-CG2 4.14Å; F493-M577 HydrophobicContact CE1-CB 3.9Å; F493-M577 HydrophobicContact CE1-CG 4.15Å |
| 494 | A | 87 | Confident | 90.7 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y452 S490 T491 H492 I496 P497 | Y452-A494 HydrophobicContact CD1-CB 3.5Å; Y452-A494 HydrophobicContact CD2-CB 3.77Å; Y452-A494 HydrophobicContact CE1-CB 3.58Å; Y452-A494 HydrophobicContact CE2-CB 3.9Å; Y452-A494 HydrophobicContact CG-CB 3.62Å; S490-A494 WeakPolarHBondContact O-CB 3.35Å; S490-A494 PolarHBondContact O-N 2.62Å; T491-A494 WeakPolarHBondContact O-CB 3.08Å; T491-A494 PolarHBondContact O-N 3.12Å; H492-A494 PolarHBondContact O-N 3.42Å; H492-A494 VanDerWaalsContact O-N 3.08Å; A494-I496 VanDerWaalsContact C-N 3.31Å; A494-P497 WeakPolarHBondContact O-CD 3.18Å |
| 495 | H | 88.8 | Confident | 90.7 | Very high | 33 Ų | 33 | 20.2 Ų | 20.2 | 15% | 0.153 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -16.2 | 176.5 | -52.1 | -173.2 | 0 | 0 | 0 | 112.6 | P445 T491 H492 F493 A498 I499 W514 | P445-H495 VanDerWaalsContact C-CD2 3.44Å; P445-H495 HydrophobicContact CB-CB 3.95Å; P445-H495 WeakPolarHBondContact CB-CD2 3.33Å; P445-H495 WeakPolarHBondContact CB-NE2 3.32Å; P445-H495 PolarHBondContact O-CD2 3.25Å; P445-H495 PolarHBondContact O-NE2 3.44Å; T491-H495 PolarHBondContact O-CD2 3.31Å; T491-H495 PolarHBondContact O-NE2 3.49Å; H492-H495 PolarHBondContact O-CD2 2.9Å; H492-H495 PolarHBondContact O-N 3.03Å; F493-H495 PolarHBondContact O-N 3.38Å; F493-H495 VanDerWaalsContact O-N 3.17Å; H495-A498 WeakPolarHBondContact O-CA 3.5Å; H495-A498 VanDerWaalsContact O-CB 3.31Å; H495-A498 WeakPolarHBondContact O-CB 3.16Å; H495-A498 PolarHBondContact O-N 3.45Å; H495-I499 WeakPolarHBondContact O-CG1 3.44Å; H495-I499 PolarHBondContact O-N 3.21Å; H495-W514 HydrophobicContact CB-CH2 4.04Å; H495-W514 HydrophobicContact CB-CZ2 3.48Å; H495-W514 VanDerWaalsContact CB-CZ2 3.48Å; H495-W514 AromaticContact CG-CZ2 3.76Å; H495-W514 AromaticContact ND1-CZ2 3.81Å |
| 496 | I | 91.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.3 | -47.6 | -177.6 | -70.9 | 173.9 | 0 | 0 | 0 | 111.5 | W386 F493 A494 A498 I499 Y500 W514 M577 L581 | W386-I496 HydrophobicContact CB-CG2 4.36Å; W386-I496 HydrophobicContact CD2-CB 4.42Å; W386-I496 HydrophobicContact CD2-CG2 4.17Å; W386-I496 HydrophobicContact CE3-CD1 3.96Å; W386-I496 HydrophobicContact CE3-CG2 4.22Å; W386-I496 HydrophobicContact CG-CG2 4.28Å; W386-I496 HydrophobicContact CH2-CD1 4.24Å; W386-I496 HydrophobicContact CZ3-CD1 3.76Å; F493-I496 HydrophobicContact CD1-CD1 3.61Å; F493-I496 HydrophobicContact CE1-CD1 4.15Å; F493-I496 WeakPolarHBondContact O-CB 3.25Å; F493-I496 WeakPolarHBondContact O-CG1 3.36Å; F493-I496 PolarHBondContact O-N 2.97Å; A494-I496 VanDerWaalsContact C-N 3.31Å; I496-A498 VanDerWaalsContact C-N 3.35Å; I496-A498 PolarHBondContact O-N 3.02Å; I496-I499 WeakPolarHBondContact O-CB 3.49Å; I496-I499 PolarHBondContact O-N 2.55Å; I496-Y500 HydrophobicContact CG2-CD2 3.61Å; I496-Y500 HydrophobicContact CG2-CE2 3.28Å; I496-Y500 WeakPolarHBondContact O-CD2 3.32Å; I496-Y500 PolarHBondContact O-N 2.97Å; I496-W514 HydrophobicContact CD1-CZ3 4.05Å; I496-W514 HydrophobicContact CG1-CH2 3.86Å; I496-W514 HydrophobicContact CG1-CZ3 3.58Å; I496-M577 HydrophobicContact CD1-CE 4.26Å; I496-L581 HydrophobicContact CD1-CD1 4.31Å |
| 497 | P | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.9 | -39.5 | 172.4 | -36.2 | 45.1 | 0 | 0 | 0 | 115.2 | W386 I389 Y428 Y431 A494 I499 Y500 C501 | W386-P497 HydrophobicContact CG-CG 4.08Å; W386-P497 VanDerWaalsContact NE1-CG 3.31Å; I389-P497 HydrophobicContact CD1-CB 3.8Å; I389-P497 HydrophobicContact CD1-CG 4.03Å; Y428-P497 HydrophobicContact CD2-CB 4.48Å; Y428-P497 HydrophobicContact CE2-CB 4.48Å; Y431-P497 HydrophobicContact CD1-CB 3.81Å; Y431-P497 HydrophobicContact CD1-CG 4.3Å; Y431-P497 HydrophobicContact CD2-CB 4.01Å; Y431-P497 HydrophobicContact CD2-CG 3.99Å; Y431-P497 HydrophobicContact CE1-CB 3.81Å; Y431-P497 HydrophobicContact CE1-CG 3.87Å; Y431-P497 HydrophobicContact CE2-CB 4.01Å; Y431-P497 HydrophobicContact CE2-CG 3.53Å; Y431-P497 HydrophobicContact CG-CB 3.9Å; Y431-P497 HydrophobicContact CG-CG 4.34Å; Y431-P497 VanDerWaalsContact CZ-CG 3.47Å; A494-P497 WeakPolarHBondContact O-CD 3.18Å; P497-I499 VanDerWaalsContact C-N 3.34Å; P497-Y500 PolarHBondContact O-N 3.3Å; P497-C501 PolarHBondContact O-N 2.87Å; P497-C501 PolarHBondContact O-SG 3.36Å |
| 498 | A | 90.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 22.3 Ų | 22.3 | 15% | 0.149 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y428 P445 H495 I496 Y500 C501 L502 | Y428-A498 HydrophobicContact CD2-CB 4.2Å; Y428-A498 HydrophobicContact CE1-CB 4.48Å; Y428-A498 VanDerWaalsContact CE2-CA 3.45Å; Y428-A498 HydrophobicContact CE2-CB 3.46Å; Y428-A498 VanDerWaalsContact CE2-CB 3.46Å; P445-A498 HydrophobicContact CG-CB 3.96Å; H495-A498 WeakPolarHBondContact O-CA 3.5Å; H495-A498 VanDerWaalsContact O-CB 3.31Å; H495-A498 WeakPolarHBondContact O-CB 3.16Å; H495-A498 PolarHBondContact O-N 3.45Å; I496-A498 VanDerWaalsContact C-N 3.35Å; I496-A498 PolarHBondContact O-N 3.02Å; A498-Y500 PolarHBondContact O-N 3.2Å; A498-C501 PolarHBondContact O-N 3.4Å; A498-C501 VanDerWaalsContact O-N 3.15Å; A498-L502 PolarHBondContact O-N 3.33Å |
| 499 | I | 91.8 | Very high | 90.8 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 6% | 0.056 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.8 | -50.9 | 176.2 | -65.9 | 172.6 | 0 | 0 | 0 | 110.3 | H495 I496 P497 C501 L502 Q507 A510 L511 W514 | H495-I499 WeakPolarHBondContact O-CG1 3.44Å; H495-I499 PolarHBondContact O-N 3.21Å; I496-I499 WeakPolarHBondContact O-CB 3.49Å; I496-I499 PolarHBondContact O-N 2.55Å; P497-I499 VanDerWaalsContact C-N 3.34Å; I499-C501 PolarHBondContact O-N 3.07Å; I499-L502 VanDerWaalsContact O-CB 3.24Å; I499-L502 WeakPolarHBondContact O-CB 3.37Å; I499-L502 WeakPolarHBondContact O-CG 2.75Å; I499-L502 PolarHBondContact O-N 2.94Å; I499-Q507 WeakPolarHBondContact O-CG 3.5Å; I499-A510 HydrophobicContact CD1-CB 4.44Å; I499-A510 HydrophobicContact CG1-CB 4.04Å; I499-A510 HydrophobicContact CG2-CB 4.13Å; I499-L511 HydrophobicContact CD1-CD2 4.37Å; I499-L511 HydrophobicContact CG2-CD2 4.14Å; I499-L511 HydrophobicContact CG2-CG 3.94Å; I499-W514 HydrophobicContact CD1-CD2 4.23Å; I499-W514 HydrophobicContact CD1-CG 4.43Å |
| 500 | Y | 92 | Very high | 90.8 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.2 | -16.2 | -178.6 | -70 | -43.9 | 0 | 0 | 0 | 114.4 | Q390 G393 I496 P497 A498 L502 Q507 L581 | Q390-Y500 HydrophobicContact CB-CD1 4.22Å; Q390-Y500 HydrophobicContact CB-CD2 3.8Å; Q390-Y500 HydrophobicContact CB-CE1 4.27Å; Q390-Y500 HydrophobicContact CB-CE2 3.82Å; Q390-Y500 HydrophobicContact CB-CG 4.01Å; Q390-Y500 HydrophobicContact CG-CD1 4.04Å; Q390-Y500 HydrophobicContact CG-CD2 4.38Å; Q390-Y500 HydrophobicContact CG-CE1 3.79Å; Q390-Y500 HydrophobicContact CG-CE2 4.12Å; Q390-Y500 HydrophobicContact CG-CG 4.35Å; Q390-Y500 PolarHBondContact NE2-OH 3.26Å; G393-Y500 WeakPolarHBondContact CA-O 3.46Å; I496-Y500 HydrophobicContact CG2-CD2 3.61Å; I496-Y500 HydrophobicContact CG2-CE2 3.28Å; I496-Y500 WeakPolarHBondContact O-CD2 3.32Å; I496-Y500 PolarHBondContact O-N 2.97Å; P497-Y500 PolarHBondContact O-N 3.3Å; A498-Y500 PolarHBondContact O-N 3.2Å; Y500-L502 VanDerWaalsContact C-N 3.34Å; Y500-Q507 PolarHBondContact O-NE2 2.85Å; Y500-L581 WeakPolarHBondContact OH-CD2 3.49Å |
| 501 | C | 91.5 | Very high | 90.9 | Very high | 9 Ų | 9 | 23 Ų | 23 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -2.7 | 170.7 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | R424 P497 A498 I499 | R424-C501 HydrophobicContact CB-CB 4.47Å; R424-C501 VanDerWaalsContact CB-O 3.29Å; R424-C501 WeakPolarHBondContact CB-O 3.38Å; R424-C501 VanDerWaalsContact CD-O 3.27Å; R424-C501 WeakPolarHBondContact CD-O 3.48Å; R424-C501 PolarHBondContact NH1-O 2.93Å; P497-C501 PolarHBondContact O-N 2.87Å; P497-C501 PolarHBondContact O-SG 3.36Å; A498-C501 PolarHBondContact O-N 3.4Å; A498-C501 VanDerWaalsContact O-N 3.15Å; I499-C501 PolarHBondContact O-N 3.07Å |
| 502 | L | 89.4 | Confident | 91.1 | Very high | 29 Ų | 29 | 22.6 Ų | 22.6 | 15% | 0.152 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -76.2 | 166.1 | 168.5 | -54.5 | 179.5 | 0 | 0 | 0 | 110.9 | F140 R424 A498 I499 Y500 R506 Q507 A510 | F140-L502 HydrophobicContact CD2-CD2 4.49Å; F140-L502 HydrophobicContact CE2-CD1 4.25Å; F140-L502 HydrophobicContact CE2-CD2 3.9Å; R424-L502 VanDerWaalsContact NH1-C 3.34Å; A498-L502 PolarHBondContact O-N 3.33Å; I499-L502 VanDerWaalsContact O-CB 3.24Å; I499-L502 WeakPolarHBondContact O-CB 3.37Å; I499-L502 WeakPolarHBondContact O-CG 2.75Å; I499-L502 PolarHBondContact O-N 2.94Å; Y500-L502 VanDerWaalsContact C-N 3.34Å; L502-R506 HydrophobicContact CB-CB 3.78Å; L502-R506 HydrophobicContact CD1-CB 4.08Å; L502-R506 HydrophobicContact CG-CB 4.48Å; L502-Q507 HydrophobicContact CB-CG 4.25Å; L502-Q507 PolarHBondContact O-NE2 3.13Å; L502-A510 HydrophobicContact CD1-CB 4.04Å |
| 503 | N | 87.3 | Confident | 91.2 | Very high | 27 Ų | 27 | 23.9 Ų | 23.9 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | trans | -64.7 | 162.7 | 168.4 | 71 | 61.6 | 0 | 0 | 0 | 110.6 | E143 D144 R424 S505 R506 Q507 | E143-N503 PolarHBondContact OE1-ND2 3.38Å; E143-N503 PolarHBondContact OE1-OD1 3.19Å; D144-N503 VanDerWaalsContact OD1-CB 3.3Å; D144-N503 WeakPolarHBondContact OD1-CB 3.49Å; D144-N503 PolarHBondContact OD1-ND2 2.93Å; R424-N503 VanDerWaalsContact NH1-N 3.16Å; N503-S505 VanDerWaalsContact C-N 3.27Å; N503-S505 PolarHBondContact O-N 3.3Å; N503-S505 WeakPolarHBondContact OD1-CA 3.27Å; N503-S505 WeakPolarHBondContact OD1-CB 3.24Å; N503-S505 PolarHBondContact OD1-N 3.06Å; N503-R506 VanDerWaalsContact ND2-CG 3.34Å; N503-R506 WeakPolarHBondContact ND2-CG 3.49Å; N503-R506 PolarHBondContact O-N 3.43Å; N503-R506 VanDerWaalsContact O-N 3.1Å; N503-R506 PolarHBondContact OD1-N 2.96Å; N503-Q507 WeakPolarHBondContact O-CG 3.32Å; N503-Q507 PolarHBondContact O-N 2.89Å | ||
| 504 | R | 89.5 | Confident | 91.1 | Very high | 23 Ų | 23 | 25.3 Ų | 25.3 | 9% | 0.087 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -31.6 | -171.8 | -168.8 | 55.3 | 168.9 | 160.3 | 0 | 113.9 | Q394 R508 D584 L592 | Q394-R504 VanDerWaalsContact NE2-NH1 3.13Å; R504-R508 PolarHBondContact O-N 3.35Å; R504-D584 IonicContact CZ-OD1 2.75Å; R504-D584 IonicContact CZ-OD2 3.31Å; R504-D584 IonicContact NH1-OD1 3.76Å; R504-D584 PolarHBondContact NH1-OD1 3.43Å; R504-D584 IonicContact NH1-OD2 2.91Å; R504-D584 PolarHBondContact NH1-OD2 3.21Å; R504-D584 IonicContact NH2-OD1 3.74Å; R504-D584 PolarHBondContact NH2-OD1 2.94Å; R504-D584 IonicContact NH2-OD2 3.58Å; R504-L592 HydrophobicContact CB-CD2 4.25Å; R504-L592 HydrophobicContact CG-CD2 4.11Å; R504-L592 HydrophobicContact CG-CG 4.32Å |
| 505 | S | 90.8 | Very high | 91.4 | Very high | 54 Ų | 54 | 25.2 Ų | 25.2 | 38% | 0.378 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -67.8 | -46.1 | 175.2 | -175 | 0 | 0 | 0 | 0 | 111.3 | N503 R508 S509 | N503-S505 VanDerWaalsContact C-N 3.27Å; N503-S505 PolarHBondContact O-N 3.3Å; N503-S505 WeakPolarHBondContact OD1-CA 3.27Å; N503-S505 WeakPolarHBondContact OD1-CB 3.24Å; N503-S505 PolarHBondContact OD1-N 3.06Å; S505-R508 WeakPolarHBondContact O-CB 3.22Å; S505-R508 PolarHBondContact O-N 3.38Å; S505-S509 PolarHBondContact O-N 2.95Å; S505-S509 PolarHBondContact O-OG 2.99Å |
| 506 | R | 91.5 | Very high | 91.5 | Very high | 84 Ų | 84 | 29.7 Ų | 29.7 | 32% | 0.317 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70.8 | -34.6 | 178.5 | -68.3 | -68.6 | 179.2 | 171.6 | 4.3 | 113 | F140 E143 L502 N503 R508 S509 A510 | F140-R506 HydrophobicContact CD2-CB 4.36Å; F140-R506 HydrophobicContact CD2-CG 3.77Å; F140-R506 HydrophobicContact CE2-CB 4.04Å; F140-R506 HydrophobicContact CE2-CG 3.81Å; F140-R506 HydrophobicContact CG-CG 4.32Å; F140-R506 HydrophobicContact CZ-CG 4.38Å; E143-R506 WeakPolarHBondContact OE1-CG 3.48Å; E143-R506 IonicContact OE1-NE 2.88Å; E143-R506 PolarHBondContact OE1-NE 3.3Å; E143-R506 IonicContact OE2-CZ 2.83Å; E143-R506 IonicContact OE2-NE 3.39Å; E143-R506 PolarHBondContact OE2-NE 2.66Å; E143-R506 IonicContact OE2-NH2 2.69Å; E143-R506 PolarHBondContact OE2-NH2 3.36Å; L502-R506 HydrophobicContact CB-CB 3.78Å; L502-R506 HydrophobicContact CD1-CB 4.08Å; L502-R506 HydrophobicContact CG-CB 4.48Å; N503-R506 VanDerWaalsContact ND2-CG 3.34Å; N503-R506 WeakPolarHBondContact ND2-CG 3.49Å; N503-R506 PolarHBondContact O-N 3.43Å; N503-R506 VanDerWaalsContact O-N 3.1Å; N503-R506 PolarHBondContact OD1-N 2.96Å; R506-R508 VanDerWaalsContact C-N 3.31Å; R506-R508 PolarHBondContact O-N 3.45Å; R506-S509 PolarHBondContact O-N 3.14Å; R506-A510 VanDerWaalsContact O-CB 3.28Å; R506-A510 WeakPolarHBondContact O-CB 3.29Å; R506-A510 PolarHBondContact O-N 3.49Å |
| 507 | Q | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -51.4 | -52.8 | 167.9 | -79.5 | 171.6 | 31.7 | 0 | 0 | 110.5 | G393 I499 Y500 L502 N503 S509 A510 L511 | G393-Q507 PolarHBondContact O-NE2 3.2Å; I499-Q507 WeakPolarHBondContact O-CG 3.5Å; Y500-Q507 PolarHBondContact O-NE2 2.85Å; L502-Q507 HydrophobicContact CB-CG 4.25Å; L502-Q507 PolarHBondContact O-NE2 3.13Å; N503-Q507 WeakPolarHBondContact O-CG 3.32Å; N503-Q507 PolarHBondContact O-N 2.89Å; Q507-S509 PolarHBondContact O-N 2.7Å; Q507-A510 PolarHBondContact O-N 3.34Å; Q507-L511 WeakPolarHBondContact O-CB 3.43Å; Q507-L511 WeakPolarHBondContact O-CG 3.39Å; Q507-L511 PolarHBondContact O-N 2.89Å |
| 508 | R | 94.1 | Very high | 91.3 | Very high | 23 Ų | 23 | 34 Ų | 34 | 9% | 0.087 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -46.4 | 179.1 | 174.5 | 171.6 | 178.6 | 58.7 | 8 | 112.1 | R504 S505 R506 A510 L511 G512 Y585 S588 L592 L594 | R504-R508 PolarHBondContact O-N 3.35Å; S505-R508 WeakPolarHBondContact O-CB 3.22Å; S505-R508 PolarHBondContact O-N 3.38Å; R506-R508 VanDerWaalsContact C-N 3.31Å; R506-R508 PolarHBondContact O-N 3.45Å; R508-A510 VanDerWaalsContact C-N 3.34Å; R508-A510 PolarHBondContact O-N 2.82Å; R508-L511 PolarHBondContact O-N 2.9Å; R508-G512 PolarHBondContact O-N 3.38Å; R508-Y585 HydrophobicContact CG-CD2 4.29Å; R508-Y585 HydrophobicContact CG-CE2 4.05Å; R508-Y585 PolarHBondContact NH1-O 2.84Å; R508-Y585 PolarHBondContact NH2-OH 3.35Å; R508-S588 WeakPolarHBondContact CD-OG 3.43Å; R508-S588 PolarHBondContact NH1-OG 3.31Å; R508-L592 HydrophobicContact CB-CD1 4.02Å; R508-L594 VanDerWaalsContact CD-CD1 3.47Å |
| 509 | S | 94.1 | Very high | 91.4 | Very high | 70 Ų | 70 | 33.1 Ų | 33.1 | 49% | 0.49 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.4 | -38.9 | -179.7 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | S505 R506 Q507 G512 P513 | S505-S509 PolarHBondContact O-N 2.95Å; S505-S509 PolarHBondContact O-OG 2.99Å; R506-S509 PolarHBondContact O-N 3.14Å; Q507-S509 PolarHBondContact O-N 2.7Å; S509-G512 PolarHBondContact O-N 3.46Å; S509-P513 WeakPolarHBondContact O-CD 3.49Å |
| 510 | A | 92.7 | Very high | 91.4 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74 | -36.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | I499 L502 R506 Q507 R508 G512 | I499-A510 HydrophobicContact CD1-CB 4.44Å; I499-A510 HydrophobicContact CG1-CB 4.04Å; I499-A510 HydrophobicContact CG2-CB 4.13Å; L502-A510 HydrophobicContact CD1-CB 4.04Å; R506-A510 VanDerWaalsContact O-CB 3.28Å; R506-A510 WeakPolarHBondContact O-CB 3.29Å; R506-A510 PolarHBondContact O-N 3.49Å; Q507-A510 PolarHBondContact O-N 3.34Å; R508-A510 VanDerWaalsContact C-N 3.34Å; R508-A510 PolarHBondContact O-N 2.82Å; A510-G512 PolarHBondContact O-N 2.81Å |
| 511 | L | 93.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -27.3 | 174.2 | -77.1 | 174.8 | 0 | 0 | 0 | 112.9 | I499 Q507 R508 W514 L515 L581 Y585 | I499-L511 HydrophobicContact CD1-CD2 4.37Å; I499-L511 HydrophobicContact CG2-CD2 4.14Å; I499-L511 HydrophobicContact CG2-CG 3.94Å; Q507-L511 WeakPolarHBondContact O-CB 3.43Å; Q507-L511 WeakPolarHBondContact O-CG 3.39Å; Q507-L511 PolarHBondContact O-N 2.89Å; R508-L511 PolarHBondContact O-N 2.9Å; L511-W514 WeakPolarHBondContact O-CB 3.16Å; L511-W514 PolarHBondContact O-N 3.23Å; L511-L515 HydrophobicContact CB-CD1 4.36Å; L511-L515 WeakPolarHBondContact O-CB 3.36Å; L511-L515 WeakPolarHBondContact O-CG 3.49Å; L511-L515 PolarHBondContact O-N 3.43Å; L511-L581 HydrophobicContact CD2-CD2 4.01Å; L511-Y585 HydrophobicContact CB-CD2 4.07Å |
| 512 | G | 93 | Very high | 91.3 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.4 | -63.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R508 S509 A510 W514 L515 K516 I777 | R508-G512 PolarHBondContact O-N 3.38Å; S509-G512 PolarHBondContact O-N 3.46Å; A510-G512 PolarHBondContact O-N 2.81Å; G512-W514 PolarHBondContact O-N 3.19Å; G512-L515 PolarHBondContact O-N 3.43Å; G512-K516 PolarHBondContact O-N 2.96Å; G512-K516 VanDerWaalsContact O-N 3.1Å; G512-I777 VanDerWaalsContact CA-CD1 3.48Å; G512-I777 VanDerWaalsContact O-CD1 3.26Å; G512-I777 WeakPolarHBondContact O-CD1 3.34Å |
| 513 | P | 90.6 | Very high | 91.4 | Very high | 75 Ų | 75 | 40.8 Ų | 40.8 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54.5 | -37.4 | 177.4 | -26.9 | 34.6 | 0 | 0 | 0 | 113 | S509 K516 N517 | S509-P513 WeakPolarHBondContact O-CD 3.49Å; P513-K516 PolarHBondContact O-N 3.18Å; P513-N517 VanDerWaalsContact O-CG 3.3Å; P513-N517 PolarHBondContact O-N 2.66Å; P513-N517 VanDerWaalsContact O-N 3.11Å |
| 514 | W | 89.1 | Confident | 91.7 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 11% | 0.114 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -54.8 | 175.6 | -99 | 57.6 | 0 | 0 | 0 | 112.8 | H492 H495 I496 I499 L511 G512 K516 N517 L518 | H492-W514 AromaticContact CD2-CH2 3.75Å; H492-W514 AromaticContact CD2-CZ2 3.88Å; H492-W514 AromaticContact CD2-CZ3 3.98Å; H492-W514 AromaticContact CE1-CE2 3.64Å; H492-W514 AromaticContact CE1-CZ2 3.73Å; H492-W514 AromaticContact CE1-NE1 3.95Å; H492-W514 AromaticContact ND1-CZ2 3.91Å; H492-W514 AromaticContact NE2-CD2 3.8Å; H492-W514 AromaticContact NE2-CE2 3.72Å; H492-W514 AromaticContact NE2-CE3 3.85Å; H492-W514 AromaticContact NE2-CH2 3.87Å; H492-W514 AromaticContact NE2-CZ2 3.72Å; H492-W514 AromaticContact NE2-CZ3 3.9Å; H492-W514 WeakPolarHBondContact O-CH2 3.05Å; H492-W514 WeakPolarHBondContact O-CZ2 3.42Å; H495-W514 HydrophobicContact CB-CH2 4.04Å; H495-W514 HydrophobicContact CB-CZ2 3.48Å; H495-W514 VanDerWaalsContact CB-CZ2 3.48Å; H495-W514 AromaticContact CG-CZ2 3.76Å; H495-W514 AromaticContact ND1-CZ2 3.81Å; I496-W514 HydrophobicContact CD1-CZ3 4.05Å; I496-W514 HydrophobicContact CG1-CH2 3.86Å; I496-W514 HydrophobicContact CG1-CZ3 3.58Å; I499-W514 HydrophobicContact CD1-CD2 4.23Å; I499-W514 HydrophobicContact CD1-CG 4.43Å; L511-W514 WeakPolarHBondContact O-CB 3.16Å; L511-W514 PolarHBondContact O-N 3.23Å; G512-W514 PolarHBondContact O-N 3.19Å; W514-K516 PolarHBondContact O-N 3.37Å; W514-N517 PolarHBondContact O-N 3.18Å; W514-N517 VanDerWaalsContact O-N 3.13Å; W514-L518 VanDerWaalsContact O-CB 3.27Å; W514-L518 WeakPolarHBondContact O-CB 3.27Å; W514-L518 PolarHBondContact O-N 3.01Å |
| 515 | L | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -27.4 | 179.4 | -74 | 165.1 | 0 | 0 | 0 | 113 | L511 G512 P519 Y578 L581 A582 Y585 I777 F778 | L511-L515 HydrophobicContact CB-CD1 4.36Å; L511-L515 WeakPolarHBondContact O-CB 3.36Å; L511-L515 WeakPolarHBondContact O-CG 3.49Å; L511-L515 PolarHBondContact O-N 3.43Å; G512-L515 PolarHBondContact O-N 3.43Å; L515-P519 WeakPolarHBondContact O-CD 3.32Å; L515-Y578 HydrophobicContact CD2-CD2 4.35Å; L515-Y578 HydrophobicContact CD2-CE2 4.17Å; L515-L581 HydrophobicContact CD2-CB 3.81Å; L515-A582 HydrophobicContact CD2-CB 4.29Å; L515-Y585 VanDerWaalsContact CD1-CB 3.5Å; L515-Y585 HydrophobicContact CD1-CD1 4.43Å; L515-Y585 HydrophobicContact CD1-CD2 3.78Å; L515-Y585 HydrophobicContact CD1-CG 3.66Å; L515-I777 HydrophobicContact CB-CD1 4.31Å; L515-I777 HydrophobicContact CB-CG1 4.42Å; L515-F778 HydrophobicContact CB-CE1 4.26Å; L515-F778 HydrophobicContact CD1-CE1 3.83Å; L515-F778 HydrophobicContact CD1-CZ 4.17Å; L515-F778 HydrophobicContact CD2-CE1 4.15Å; L515-F778 HydrophobicContact CG-CE1 4.3Å |
| 516 | K | 90.7 | Very high | 92 | Very high | 127 Ų | 127 | 43 Ų | 43 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72 | -38.1 | 175.5 | -171.1 | -176 | 175.4 | -170.9 | 0 | 112.6 | G512 P513 W514 P519 I777 | G512-K516 PolarHBondContact O-N 2.96Å; G512-K516 VanDerWaalsContact O-N 3.1Å; P513-K516 PolarHBondContact O-N 3.18Å; W514-K516 PolarHBondContact O-N 3.37Å; K516-P519 WeakPolarHBondContact O-CD 3.39Å; K516-I777 HydrophobicContact CB-CG1 4.28Å |
| 517 | N | 89 | Confident | 92 | Very high | 91 Ų | 91 | 43.5 Ų | 43.5 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -96 | -20.9 | -173.9 | -62.1 | -9.9 | 0 | 0 | 0 | 113.5 | P513 W514 P519 D520 | P513-N517 VanDerWaalsContact O-CG 3.3Å; P513-N517 PolarHBondContact O-N 2.66Å; P513-N517 VanDerWaalsContact O-N 3.11Å; W514-N517 PolarHBondContact O-N 3.18Å; W514-N517 VanDerWaalsContact O-N 3.13Å; N517-P519 VanDerWaalsContact C-N 3.31Å; N517-D520 PolarHBondContact O-N 3.12Å; N517-D520 VanDerWaalsContact O-N 3.12Å |
| 518 | L | 91 | Very high | 92.1 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -29.8 | -179.5 | -168.8 | 57 | 0 | 0 | 0 | 114.5 | F493 W514 L521 L522 I574 Y578 L581 | F493-L518 HydrophobicContact CE2-CD1 4.3Å; F493-L518 HydrophobicContact CZ-CD1 4.1Å; W514-L518 VanDerWaalsContact O-CB 3.27Å; W514-L518 WeakPolarHBondContact O-CB 3.27Å; W514-L518 PolarHBondContact O-N 3.01Å; L518-L521 HydrophobicContact CD1-CB 4.34Å; L518-L521 HydrophobicContact CD1-CD2 3.88Å; L518-L521 PolarHBondContact O-N 3.21Å; L518-L522 PolarHBondContact O-N 2.77Å; L518-I574 HydrophobicContact CD1-CG2 4.14Å; L518-Y578 HydrophobicContact CB-CD2 3.98Å; L518-Y578 HydrophobicContact CB-CE2 4.24Å; L518-Y578 HydrophobicContact CD2-CD2 3.58Å; L518-Y578 HydrophobicContact CD2-CG 4.28Å; L518-Y578 HydrophobicContact CG-CD2 3.84Å; L518-L581 HydrophobicContact CD2-CD1 4.39Å |
| 519 | P | 92.5 | Very high | 92 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -38.8 | 171.3 | -28.7 | 39.2 | 0 | 0 | 0 | 114.6 | L515 K516 N517 L521 L522 D523 Y578 P781 N783 | L515-P519 WeakPolarHBondContact O-CD 3.32Å; K516-P519 WeakPolarHBondContact O-CD 3.39Å; N517-P519 VanDerWaalsContact C-N 3.31Å; P519-L521 VanDerWaalsContact C-N 3.31Å; P519-L521 PolarHBondContact O-N 3.35Å; P519-L522 VanDerWaalsContact O-CB 3.31Å; P519-L522 WeakPolarHBondContact O-CB 3.34Å; P519-L522 PolarHBondContact O-N 2.94Å; P519-L522 VanDerWaalsContact O-N 3.15Å; P519-D523 PolarHBondContact O-N 3.34Å; P519-Y578 HydrophobicContact CG-CE2 4Å; P519-P781 HydrophobicContact CB-CB 4.33Å; P519-P781 HydrophobicContact CG-CB 4.16Å; P519-N783 VanDerWaalsContact C-ND2 3.3Å; P519-N783 HydrophobicContact CB-CB 4.38Å; P519-N783 VanDerWaalsContact CB-CG 3.48Å; P519-N783 WeakPolarHBondContact CB-OD1 3.43Å; P519-N783 PolarHBondContact O-ND2 3.42Å |
| 520 | D | 90.6 | Very high | 92 | Very high | 87 Ų | 87 | 45.3 Ų | 45.3 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.5 | -39.5 | 177.9 | -61 | -27.1 | 0 | 0 | 0 | 110.3 | N517 L522 D523 E524 N783 | N517-D520 PolarHBondContact O-N 3.12Å; N517-D520 VanDerWaalsContact O-N 3.12Å; D520-L522 VanDerWaalsContact C-N 3.3Å; D520-L522 PolarHBondContact O-N 3.14Å; D520-D523 PolarHBondContact O-N 3.49Å; D520-E524 PolarHBondContact O-N 3.43Å; D520-N783 PolarHBondContact N-ND2 2.96Å; D520-N783 PolarHBondContact OD1-ND2 3.2Å |
| 521 | L | 90.3 | Very high | 92 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -31.2 | 173.7 | -172.4 | 62.1 | 0 | 0 | 0 | 112.5 | F485 L489 F493 L518 P519 E524 C525 | F485-L521 HydrophobicContact CE2-CD1 4.3Å; L489-L521 HydrophobicContact CD1-CD1 4.18Å; L489-L521 HydrophobicContact CD1-CD2 3.59Å; L489-L521 HydrophobicContact CD1-CG 3.97Å; F493-L521 HydrophobicContact CE2-CD2 4.49Å; L518-L521 HydrophobicContact CD1-CB 4.34Å; L518-L521 HydrophobicContact CD1-CD2 3.88Å; L518-L521 PolarHBondContact O-N 3.21Å; P519-L521 VanDerWaalsContact C-N 3.31Å; P519-L521 PolarHBondContact O-N 3.35Å; L521-E524 PolarHBondContact O-N 3.33Å; L521-C525 PolarHBondContact O-N 2.9Å; L521-C525 PolarHBondContact O-SG 3.29Å |
| 522 | L | 92.8 | Very high | 92 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 174.6 | -89.9 | 166.1 | 0 | 0 | 0 | 112.1 | L518 P519 D520 E524 C525 A526 I574 T575 Y578 P785 | L518-L522 PolarHBondContact O-N 2.77Å; P519-L522 VanDerWaalsContact O-CB 3.31Å; P519-L522 WeakPolarHBondContact O-CB 3.34Å; P519-L522 PolarHBondContact O-N 2.94Å; P519-L522 VanDerWaalsContact O-N 3.15Å; D520-L522 VanDerWaalsContact C-N 3.3Å; D520-L522 PolarHBondContact O-N 3.14Å; L522-E524 VanDerWaalsContact C-N 3.35Å; L522-C525 WeakPolarHBondContact O-CB 3.42Å; L522-C525 PolarHBondContact O-N 2.91Å; L522-A526 PolarHBondContact O-N 2.84Å; L522-I574 HydrophobicContact CD1-CG2 4.49Å; L522-I574 HydrophobicContact CD2-CB 3.53Å; L522-I574 HydrophobicContact CD2-CG2 3.34Å; L522-I574 HydrophobicContact CG-CB 4.4Å; L522-I574 HydrophobicContact CG-CG2 3.65Å; L522-T575 WeakPolarHBondContact CD2-OG1 3.33Å; L522-Y578 HydrophobicContact CD1-CD2 4.38Å; L522-P785 HydrophobicContact CD1-CG 4.04Å |
| 523 | D | 91.2 | Very high | 91.9 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 175.3 | -71.2 | -27.9 | 0 | 0 | 0 | 111 | P519 D520 A526 H527 N783 | P519-D523 PolarHBondContact O-N 3.34Å; D520-D523 PolarHBondContact O-N 3.49Å; D523-A526 PolarHBondContact O-N 3.34Å; D523-H527 PolarHBondContact O-N 2.91Å; D523-N783 VanDerWaalsContact OD2-CB 3.24Å; D523-N783 WeakPolarHBondContact OD2-CB 3.42Å; D523-N783 PolarHBondContact OD2-ND2 3.04Å |
| 524 | E | 92.8 | Very high | 91.9 | Very high | 105 Ų | 105 | 41.2 Ų | 41.2 | 49% | 0.491 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -43.3 | 172.3 | -66.4 | -178.8 | -166.5 | 0 | 0 | 111.7 | F485 D520 L521 L522 A526 H527 V528 | F485-E524 HydrophobicContact CE2-CB 3.86Å; F485-E524 HydrophobicContact CZ-CB 4.39Å; D520-E524 PolarHBondContact O-N 3.43Å; L521-E524 PolarHBondContact O-N 3.33Å; L522-E524 VanDerWaalsContact C-N 3.35Å; E524-A526 VanDerWaalsContact C-N 3.3Å; E524-A526 PolarHBondContact O-N 3.21Å; E524-H527 PolarHBondContact O-N 3.45Å; E524-V528 WeakPolarHBondContact O-CG2 3.35Å; E524-V528 PolarHBondContact O-N 2.93Å |
| 525 | C | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 174.2 | -73 | 0 | 0 | 0 | 0 | 112 | L521 L522 H527 V528 E529 L570 | L521-C525 PolarHBondContact O-N 2.9Å; L521-C525 PolarHBondContact O-SG 3.29Å; L522-C525 WeakPolarHBondContact O-CB 3.42Å; L522-C525 PolarHBondContact O-N 2.91Å; C525-H527 VanDerWaalsContact C-N 3.35Å; C525-V528 PolarHBondContact O-N 2.81Å; C525-E529 WeakPolarHBondContact O-CB 3.32Å; C525-E529 PolarHBondContact O-N 3.27Å; C525-L570 HydrophobicContact CB-CD2 4.24Å; C525-L570 HydrophobicContact CB-CG 4.28Å |
| 526 | A | 92 | Very high | 91.9 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.2 | -36.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L522 D523 E524 E529 F530 | L522-A526 PolarHBondContact O-N 2.84Å; D523-A526 PolarHBondContact O-N 3.34Å; E524-A526 VanDerWaalsContact C-N 3.3Å; E524-A526 PolarHBondContact O-N 3.21Å; A526-E529 WeakPolarHBondContact O-CB 3.17Å; A526-F530 PolarHBondContact O-N 3.23Å; A526-F530 VanDerWaalsContact O-N 3.13Å |
| 527 | H | 92.9 | Very high | 91.7 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 44% | 0.444 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.5 | -47 | 173.5 | -176.1 | 67.7 | 0 | 0 | 0 | 111.8 | D523 E524 C525 E529 F530 V531 | D523-H527 PolarHBondContact O-N 2.91Å; E524-H527 PolarHBondContact O-N 3.45Å; C525-H527 VanDerWaalsContact C-N 3.35Å; H527-E529 VanDerWaalsContact C-N 3.32Å; H527-E529 PolarHBondContact O-N 3.05Å; H527-F530 WeakPolarHBondContact O-CB 3.24Å; H527-F530 PolarHBondContact O-N 3.42Å; H527-V531 PolarHBondContact O-N 3.3Å; H527-V531 VanDerWaalsContact O-N 3.15Å |
| 528 | V | 93.9 | Very high | 91.6 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 176.5 | 165.6 | 0 | 0 | 0 | 0 | 111.4 | L482 F485 F486 E524 C525 F530 V531 I532 L570 | L482-V528 HydrophobicContact CD2-CB 4.42Å; L482-V528 HydrophobicContact CD2-CG1 3.7Å; L482-V528 HydrophobicContact CD2-CG2 4.17Å; F485-V528 HydrophobicContact CD1-CB 4.24Å; F485-V528 HydrophobicContact CD1-CG1 3.94Å; F485-V528 HydrophobicContact CD1-CG2 3.73Å; F485-V528 HydrophobicContact CD2-CG2 4.13Å; F485-V528 HydrophobicContact CE1-CB 4Å; F485-V528 HydrophobicContact CE1-CG1 3.92Å; F485-V528 HydrophobicContact CE1-CG2 3.78Å; F485-V528 HydrophobicContact CE2-CG2 4.19Å; F485-V528 HydrophobicContact CG-CG2 3.9Å; F485-V528 HydrophobicContact CZ-CB 4.42Å; F485-V528 HydrophobicContact CZ-CG2 4.01Å; F486-V528 HydrophobicContact CE2-CG1 4Å; F486-V528 HydrophobicContact CZ-CG1 4.12Å; E524-V528 WeakPolarHBondContact O-CG2 3.35Å; E524-V528 PolarHBondContact O-N 2.93Å; C525-V528 PolarHBondContact O-N 2.81Å; V528-F530 VanDerWaalsContact C-N 3.3Å; V528-F530 PolarHBondContact O-N 2.79Å; V528-V531 PolarHBondContact O-N 3.42Å; V528-I532 HydrophobicContact CG1-CD1 3.67Å; V528-I532 HydrophobicContact CG1-CG1 4.3Å; V528-I532 WeakPolarHBondContact O-CG1 3.44Å; V528-I532 PolarHBondContact O-N 3.41Å; V528-L570 HydrophobicContact CG1-CD2 4.13Å |
| 529 | E | 93.5 | Very high | 91.3 | Very high | 35 Ų | 35 | 43 Ų | 43 | 16% | 0.164 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.2 | -44.5 | 175 | -171.5 | 179.5 | 103.8 | 0 | 0 | 111.6 | C525 A526 H527 G533 I568 L570 S571 | C525-E529 WeakPolarHBondContact O-CB 3.32Å; C525-E529 PolarHBondContact O-N 3.27Å; A526-E529 WeakPolarHBondContact O-CB 3.17Å; H527-E529 VanDerWaalsContact C-N 3.32Å; H527-E529 PolarHBondContact O-N 3.05Å; E529-G533 PolarHBondContact O-N 3.23Å; E529-I568 HydrophobicContact CG-CB 3.51Å; E529-I568 HydrophobicContact CG-CG2 3.74Å; E529-I568 VanDerWaalsContact OE1-O 3.07Å; E529-L570 PolarHBondContact OE2-N 3.46Å; E529-S571 PolarHBondContact OE1-OG 3.04Å; E529-S571 VanDerWaalsContact OE2-CB 3.26Å; E529-S571 WeakPolarHBondContact OE2-CB 3.44Å; E529-S571 PolarHBondContact OE2-N 2.62Å; E529-S571 PolarHBondContact OE2-OG 2.95Å |
| 530 | F | 92.6 | Very high | 90.9 | Very high | 83 Ų | 83 | 46.2 Ų | 46.2 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 176.1 | -179.8 | -94.8 | 0 | 0 | 0 | 112 | A526 H527 V528 G533 V534 L557 P565 | A526-F530 PolarHBondContact O-N 3.23Å; A526-F530 VanDerWaalsContact O-N 3.13Å; H527-F530 WeakPolarHBondContact O-CB 3.24Å; H527-F530 PolarHBondContact O-N 3.42Å; V528-F530 VanDerWaalsContact C-N 3.3Å; V528-F530 PolarHBondContact O-N 2.79Å; F530-G533 PolarHBondContact O-N 3.27Å; F530-V534 HydrophobicContact CD1-CG2 4.35Å; F530-V534 HydrophobicContact CE1-CG2 3.93Å; F530-V534 HydrophobicContact CE2-CG2 4.46Å; F530-V534 HydrophobicContact CZ-CG2 3.99Å; F530-V534 WeakPolarHBondContact O-CG2 3.44Å; F530-V534 PolarHBondContact O-N 2.86Å; F530-L557 HydrophobicContact CE1-CD1 4.28Å; F530-P565 HydrophobicContact CD2-CB 4.25Å; F530-P565 HydrophobicContact CD2-CG 3.79Å; F530-P565 HydrophobicContact CE2-CB 4.34Å; F530-P565 HydrophobicContact CE2-CG 3.84Å |
| 531 | V | 92.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 11% | 0.109 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | H527 V528 G533 V534 E535 L554 | H527-V531 PolarHBondContact O-N 3.3Å; H527-V531 VanDerWaalsContact O-N 3.15Å; V528-V531 PolarHBondContact O-N 3.42Å; V531-G533 VanDerWaalsContact C-N 3.29Å; V531-G533 PolarHBondContact O-N 3.12Å; V531-V534 PolarHBondContact O-N 3.42Å; V531-E535 PolarHBondContact O-N 3.27Å; V531-L554 HydrophobicContact CG2-CD1 4.07Å |
| 532 | I | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 177.2 | -65.3 | 169.5 | 0 | 0 | 0 | 110.5 | W460 I472 I476 L482 F486 V528 V534 E535 L536 I568 | W460-I532 HydrophobicContact CH2-CD1 4.07Å; I472-I532 HydrophobicContact CG1-CG2 4.21Å; I472-I532 HydrophobicContact CG2-CG2 4.2Å; I476-I532 HydrophobicContact CG1-CD1 4.42Å; L482-I532 HydrophobicContact CD1-CG1 3.86Å; F486-I532 HydrophobicContact CE2-CD1 3.77Å; F486-I532 HydrophobicContact CZ-CD1 3.8Å; V528-I532 HydrophobicContact CG1-CD1 3.67Å; V528-I532 HydrophobicContact CG1-CG1 4.3Å; V528-I532 WeakPolarHBondContact O-CG1 3.44Å; V528-I532 PolarHBondContact O-N 3.41Å; I532-V534 VanDerWaalsContact C-N 3.34Å; I532-V534 PolarHBondContact O-N 3.47Å; I532-E535 PolarHBondContact O-N 3.3Å; I532-L536 WeakPolarHBondContact O-CB 2.9Å; I532-L536 PolarHBondContact O-N 3.43Å; I532-I568 HydrophobicContact CG2-CD1 4.2Å; I532-I568 HydrophobicContact CG2-CG1 4.2Å |
| 533 | G | 92.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E529 F530 V531 R537 V566 | E529-G533 PolarHBondContact O-N 3.23Å; F530-G533 PolarHBondContact O-N 3.27Å; V531-G533 VanDerWaalsContact C-N 3.29Å; V531-G533 PolarHBondContact O-N 3.12Å; G533-R537 WeakPolarHBondContact O-CB 3.46Å; G533-R537 PolarHBondContact O-N 3.17Å; G533-V566 VanDerWaalsContact CA-O 3.3Å; G533-V566 WeakPolarHBondContact CA-O 3.4Å; G533-V566 PolarHBondContact O-N 2.88Å |
| 534 | V | 90.7 | Very high | 84.8 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.6 | -47.9 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 111 | F530 V531 I532 L536 R537 N538 V563 P565 | F530-V534 HydrophobicContact CD1-CG2 4.35Å; F530-V534 HydrophobicContact CE1-CG2 3.93Å; F530-V534 HydrophobicContact CE2-CG2 4.46Å; F530-V534 HydrophobicContact CZ-CG2 3.99Å; F530-V534 WeakPolarHBondContact O-CG2 3.44Å; F530-V534 PolarHBondContact O-N 2.86Å; V531-V534 PolarHBondContact O-N 3.42Å; I532-V534 VanDerWaalsContact C-N 3.34Å; I532-V534 PolarHBondContact O-N 3.47Å; V534-L536 PolarHBondContact O-N 3.15Å; V534-R537 VanDerWaalsContact O-CB 3.31Å; V534-R537 WeakPolarHBondContact O-CB 3.44Å; V534-R537 PolarHBondContact O-N 3.01Å; V534-N538 PolarHBondContact O-N 3.02Å; V534-V563 HydrophobicContact CG1-CG1 4.44Å; V534-V563 HydrophobicContact CG2-CG1 4.23Å; V534-P565 HydrophobicContact CG2-CB 4.1Å |
| 535 | E | 90.5 | Very high | 81.7 | Confident | 59 Ų | 59 | 56.5 Ų | 56.5 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | -179.4 | -72.3 | -55.4 | 139.1 | 0 | 0 | 112.8 | V475 I479 V531 I532 R537 N538 K539 | V475-E535 HydrophobicContact CG1-CB 3.75Å; V475-E535 HydrophobicContact CG1-CG 4.3Å; V475-E535 HydrophobicContact CG2-CB 3.92Å; I479-E535 HydrophobicContact CD1-CG 4.06Å; V531-E535 PolarHBondContact O-N 3.27Å; I532-E535 PolarHBondContact O-N 3.3Å; E535-R537 VanDerWaalsContact C-N 3.31Å; E535-R537 PolarHBondContact O-N 3.08Å; E535-N538 PolarHBondContact O-N 3.16Å; E535-K539 PolarHBondContact O-N 3.17Å |
| 536 | L | 89.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 173.8 | -177.5 | 61.7 | 0 | 0 | 0 | 110.8 | H468 L471 I472 I532 V534 N538 K539 L540 V566 I568 | H468-L536 HydrophobicContact CB-CD2 4.07Å; L471-L536 HydrophobicContact CB-CD1 3.43Å; L471-L536 VanDerWaalsContact CB-CD1 3.43Å; L471-L536 HydrophobicContact CD1-CD1 3.82Å; L471-L536 HydrophobicContact CG-CD1 4.29Å; I472-L536 HydrophobicContact CD1-CD2 4.43Å; I472-L536 HydrophobicContact CG1-CD1 4.46Å; I472-L536 HydrophobicContact CG1-CD2 4.15Å; I532-L536 WeakPolarHBondContact O-CB 2.9Å; I532-L536 PolarHBondContact O-N 3.43Å; V534-L536 PolarHBondContact O-N 3.15Å; L536-N538 VanDerWaalsContact C-N 3.33Å; L536-N538 PolarHBondContact O-N 3Å; L536-K539 PolarHBondContact O-N 3.45Å; L536-L540 HydrophobicContact CD1-CD1 4.36Å; L536-L540 HydrophobicContact CD1-CG 4.4Å; L536-L540 HydrophobicContact CG-CD1 4.03Å; L536-L540 HydrophobicContact CG-CG 4.5Å; L536-L540 WeakPolarHBondContact O-CB 3.44Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.47Å; L536-L540 PolarHBondContact O-N 3.28Å; L536-V566 HydrophobicContact CD2-CB 4.09Å; L536-V566 HydrophobicContact CD2-CG1 3.74Å; L536-V566 HydrophobicContact CG-CB 4.45Å; L536-V566 HydrophobicContact CG-CG1 4.5Å; L536-V566 HydrophobicContact CG-CG2 4.42Å; L536-I568 HydrophobicContact CD2-CD1 3.75Å |
| 537 | R | 87.9 | Confident | 75.6 | Confident | 108 Ų | 108 | 67 Ų | 67 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 173.9 | -173.4 | 177 | 171.8 | -171.6 | -6.9 | 111.5 | G533 V534 E535 L540 A541 V564 V566 | G533-R537 WeakPolarHBondContact O-CB 3.46Å; G533-R537 PolarHBondContact O-N 3.17Å; V534-R537 VanDerWaalsContact O-CB 3.31Å; V534-R537 WeakPolarHBondContact O-CB 3.44Å; V534-R537 PolarHBondContact O-N 3.01Å; E535-R537 VanDerWaalsContact C-N 3.31Å; E535-R537 PolarHBondContact O-N 3.08Å; R537-L540 PolarHBondContact O-N 3.33Å; R537-A541 WeakPolarHBondContact O-CB 3.46Å; R537-A541 PolarHBondContact O-N 2.93Å; R537-V564 VanDerWaalsContact CD-O 3.26Å; R537-V564 WeakPolarHBondContact CD-O 3.47Å; R537-V564 VanDerWaalsContact NH1-N 3.15Å; R537-V564 PolarHBondContact NH1-O 2.79Å; R537-V566 HydrophobicContact CB-CG2 3.96Å |
| 538 | N | 87.1 | Confident | 72.7 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 34% | 0.342 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 179.3 | -66.7 | -21.2 | 0 | 0 | 0 | 111.2 | V534 E535 L536 L540 A541 N542 | V534-N538 PolarHBondContact O-N 3.02Å; E535-N538 PolarHBondContact O-N 3.16Å; L536-N538 VanDerWaalsContact C-N 3.33Å; L536-N538 PolarHBondContact O-N 3Å; N538-L540 VanDerWaalsContact C-N 3.34Å; N538-L540 PolarHBondContact O-N 3.31Å; N538-A541 PolarHBondContact O-N 2.85Å; N538-N542 WeakPolarHBondContact O-CB 3.45Å; N538-N542 VanDerWaalsContact O-CG 3.31Å; N538-N542 PolarHBondContact O-N 3.49Å |
| 539 | K | 84.8 | Confident | 69.8 | Low | 58 Ų | 58 | 80.3 Ų | 80.3 | 25% | 0.252 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 176 | -75.2 | -176.4 | -175.5 | -84.2 | 0 | 113 | N474 V475 E535 L536 | N474-K539 WeakPolarHBondContact OD1-CE 3.26Å; N474-K539 PolarHBondContact OD1-NZ 3.46Å; V475-K539 HydrophobicContact CG2-CD 3.67Å; V475-K539 VanDerWaalsContact CG2-CE 3.42Å; E535-K539 PolarHBondContact O-N 3.17Å; L536-K539 PolarHBondContact O-N 3.45Å |
| 540 | L | 83.1 | Confident | 67 | Low | 66 Ų | 66 | 84.3 Ų | 84.3 | 35% | 0.346 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.4 | -36.2 | 174.8 | -72 | 170 | 0 | 0 | 0 | 111.9 | L471 L536 R537 N538 V566 | L471-L540 HydrophobicContact CD1-CD2 3.64Å; L471-L540 HydrophobicContact CD1-CG 4.17Å; L536-L540 HydrophobicContact CD1-CD1 4.36Å; L536-L540 HydrophobicContact CD1-CG 4.4Å; L536-L540 HydrophobicContact CG-CD1 4.03Å; L536-L540 HydrophobicContact CG-CG 4.5Å; L536-L540 WeakPolarHBondContact O-CB 3.44Å; L536-L540 VanDerWaalsContact O-CG 3.26Å; L536-L540 WeakPolarHBondContact O-CG 3.47Å; L536-L540 PolarHBondContact O-N 3.28Å; R537-L540 PolarHBondContact O-N 3.33Å; N538-L540 VanDerWaalsContact C-N 3.34Å; N538-L540 PolarHBondContact O-N 3.31Å; L540-V566 HydrophobicContact CD1-CG2 4.14Å |
| 541 | A | 78.4 | Confident | 64.4 | Low | 52 Ų | 52 | 85.8 Ų | 85.8 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -73.5 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R537 N538 K543 T544 | R537-A541 WeakPolarHBondContact O-CB 3.46Å; R537-A541 PolarHBondContact O-N 2.93Å; N538-A541 PolarHBondContact O-N 2.85Å; A541-K543 PolarHBondContact O-N 3.43Å; A541-T544 PolarHBondContact O-N 2.88Å; A541-T544 VanDerWaalsContact O-N 3.07Å; A541-T544 PolarHBondContact O-OG1 3.12Å |
| 542 | N | 61.4 | Low | 61.6 | Low | 86 Ų | 86 | 87.9 Ų | 87.9 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.6 | -12.3 | -179.6 | -72.2 | -2.8 | 0 | 0 | 0 | 113.7 | N538 T544 T545 | N538-N542 WeakPolarHBondContact O-CB 3.45Å; N538-N542 VanDerWaalsContact O-CG 3.31Å; N538-N542 PolarHBondContact O-N 3.49Å; N542-T544 PolarHBondContact O-N 3.36Å; N542-T544 VanDerWaalsContact O-N 3.07Å; N542-T545 PolarHBondContact O-N 2.92Å |
| 543 | K | 55.4 | Low | 58.9 | Low | 169 Ų | 169 | 95.4 Ų | 95.4 | 74% | 0.735 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -7 | 164.7 | -83.9 | -175.5 | 175.3 | 179.5 | 0 | 113.3 | A541 | A541-K543 PolarHBondContact O-N 3.43Š|
| 544 | T | 41.4 | Very low | 56.5 | Low | 115 Ų | 115 | 100.3 Ų | 100.3 | 71% | 0.706 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -5.2 | 177.3 | 17.7 | 0 | 0 | 0 | 0 | 115.7 | A541 N542 | A541-T544 PolarHBondContact O-N 2.88Å; A541-T544 VanDerWaalsContact O-N 3.07Å; A541-T544 PolarHBondContact O-OG1 3.12Å; N542-T544 PolarHBondContact O-N 3.36Å; N542-T544 VanDerWaalsContact O-N 3.07Å |
| 545 | T | 27.9 | Very low | 54 | Low | 111 Ų | 111 | 108.2 Ų | 108.2 | 68% | 0.681 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -172.5 | 133.6 | 172.9 | -1.1 | 0 | 0 | 0 | 0 | 111.8 | N542 | N542-T545 PolarHBondContact O-N 2.92Š|
| 546 | D | 29.8 | Very low | 51.5 | Low | 156 Ų | 156 | 110 Ų | 110 | 83% | 0.834 | 59% | 0.594 | S | S | * | * | trans | -65.2 | 152.3 | 176.2 | -75.3 | -44.8 | 0 | 0 | 0 | 113.3 | ||||
| 547 | C | 28.5 | Very low | 49.3 | Very low | 109 Ų | 109 | 114.6 Ų | 114.6 | 74% | 0.736 | 62% | 0.618 | S | S | * | * | trans | 89.9 | 96.8 | 167.6 | -57.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 548 | F | 31.5 | Very low | 46.8 | Very low | 204 Ų | 204 | 114.5 Ų | 114.5 | 90% | 0.895 | 63% | 0.634 | S | S | * | * | trans | -157.1 | 136.1 | 130.3 | -100.2 | -74.1 | 0 | 0 | 0 | 111.1 | ||||
| 549 | E | 33.6 | Very low | 44.3 | Very low | 184 Ų | 184 | 116.7 Ų | 116.7 | 86% | 0.86 | 65% | 0.65 | S | S | * | * | trans | -68.8 | 147.5 | -179.5 | -73.4 | 174.8 | 148.2 | 0 | 0 | 112.9 | ||||
| 550 | S | 34.7 | Very low | 42 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | -52.4 | 129.8 | 179.1 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 551 | V | 38.1 | Very low | 40.2 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 70% | 0.697 | 70% | 0.702 | S | S | * | * | trans | -110.2 | 95.3 | 165.7 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | K553 | V551-K553 PolarHBondContact O-N 3.46Š| ||
| 552 | G | 33.3 | Very low | 38.8 | Very low | 62 Ų | 62 | 133.1 Ų | 133.1 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | -91.6 | 65 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 553 | K | 37.3 | Very low | 38.7 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | trans | -147.2 | 122.3 | 166 | -75.5 | -166.5 | 177.2 | -177.8 | 0 | 111.8 | V551 E555 | V551-K553 PolarHBondContact O-N 3.46Å; K553-E555 PolarHBondContact O-N 3.39Å; K553-E555 VanDerWaalsContact O-N 3.13Å | ||
| 554 | L | 40.6 | Very low | 39.8 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 53% | 0.534 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.8 | -18.2 | 179 | -158.4 | 76.3 | 0 | 0 | 0 | 113.9 | V531 | V531-L554 HydrophobicContact CG2-CD1 4.07Š|
| 555 | E | 39.5 | Very low | 41.8 | Very low | 175 Ų | 175 | 125.6 Ų | 125.6 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -2.5 | -169.3 | -70 | -175.9 | 151.9 | 0 | 0 | 116.1 | K553 | K553-E555 PolarHBondContact O-N 3.39Å; K553-E555 VanDerWaalsContact O-N 3.13Å |
| 556 | V | 37.5 | Very low | 44.6 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 58% | 0.582 | 67% | 0.673 | S | S | * | * | trans | -118.5 | 56.3 | -170.6 | -163.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 557 | L | 43.1 | Very low | 47.3 | Very low | 98 Ų | 98 | 120 Ų | 120 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | trans | -112.9 | 4.6 | 171.1 | -85.2 | 160.5 | 0 | 0 | 0 | 114 | F530 T559 | F530-L557 HydrophobicContact CE1-CD1 4.28Å; L557-T559 PolarHBondContact O-N 3.15Å | ||
| 558 | S | 35.8 | Very low | 50.3 | Low | 106 Ų | 106 | 114.9 Ų | 114.9 | 74% | 0.741 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -86.2 | 1.9 | -172.2 | 59.1 | 0 | 0 | 0 | 0 | 116 | ||
| 559 | T | 33.9 | Very low | 53.2 | Low | 109 Ų | 109 | 105.5 Ų | 105.5 | 67% | 0.669 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -144.4 | 84.1 | -178.7 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | L557 | L557-T559 PolarHBondContact O-N 3.15Š|
| 560 | Q | 36.9 | Very low | 56 | Low | 185 Ų | 185 | 96.7 Ų | 96.7 | 86% | 0.864 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 165.7 | 142.6 | 140.1 | -90.5 | 167.7 | 25.1 | 0 | 0 | 111.3 | ||
| 561 | K | 46.1 | Very low | 58.8 | Low | 193 Ų | 193 | 92.1 Ų | 92.1 | 84% | 0.839 | 51% | 0.51 | S | S | * | . | S | Bend | trans | 23 | 118 | 172.1 | -78.3 | 177.7 | 176.8 | 173.9 | 0 | 117.6 | V563 | K561-V563 WeakPolarHBondContact O-CG2 3.33Å; K561-V563 PolarHBondContact O-N 3.34Å |
| 562 | T | 49 | Very low | 61.3 | Low | 144 Ų | 144 | 87.7 Ų | 87.7 | 88% | 0.883 | 48% | 0.484 | S | S | * | . | trans | -32 | 91.3 | 172.8 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | V564 | T562-V564 PolarHBondContact O-N 2.89Š| ||
| 563 | V | 59.4 | Low | 64.1 | Low | 59 Ų | 59 | 84.8 Ų | 84.8 | 36% | 0.358 | 45% | 0.454 | S | S | . | . | trans | -81.1 | 111.5 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 106.5 | V534 K561 P565 | V534-V563 HydrophobicContact CG1-CG1 4.44Å; V534-V563 HydrophobicContact CG2-CG1 4.23Å; K561-V563 WeakPolarHBondContact O-CG2 3.33Å; K561-V563 PolarHBondContact O-N 3.34Å; V563-P565 VanDerWaalsContact O-CD 3.28Å; V563-P565 WeakPolarHBondContact O-CD 3.31Å | ||
| 564 | V | 78.1 | Confident | 66.8 | Low | 107 Ų | 107 | 77.3 Ų | 77.3 | 65% | 0.648 | 42% | 0.421 | S | S | * | . | trans | -76 | 113.9 | 167.2 | -176 | 0 | 0 | 0 | 0 | 107.4 | R537 T562 | R537-V564 VanDerWaalsContact CD-O 3.26Å; R537-V564 WeakPolarHBondContact CD-O 3.47Å; R537-V564 VanDerWaalsContact NH1-N 3.15Å; R537-V564 PolarHBondContact NH1-O 2.79Å; T562-V564 PolarHBondContact O-N 2.89Å | ||
| 565 | P | 83.2 | Confident | 69.4 | Low | 45 Ų | 45 | 73.4 Ų | 73.4 | 29% | 0.292 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 156.3 | 175.4 | 31.1 | -36.3 | 0 | 0 | 0 | 110.5 | F530 V534 V563 Q567 | F530-P565 HydrophobicContact CD2-CB 4.25Å; F530-P565 HydrophobicContact CD2-CG 3.79Å; F530-P565 HydrophobicContact CE2-CB 4.34Å; F530-P565 HydrophobicContact CE2-CG 3.84Å; V534-P565 HydrophobicContact CG2-CB 4.1Å; V563-P565 VanDerWaalsContact O-CD 3.28Å; V563-P565 WeakPolarHBondContact O-CD 3.31Å; P565-Q567 PolarHBondContact O-N 2.79Å |
| 566 | V | 86 | Confident | 71.9 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -64 | 134.2 | 164.3 | 176.7 | 0 | 0 | 0 | 0 | 107.7 | G533 L536 R537 L540 I568 | G533-V566 VanDerWaalsContact CA-O 3.3Å; G533-V566 WeakPolarHBondContact CA-O 3.4Å; G533-V566 PolarHBondContact O-N 2.88Å; L536-V566 HydrophobicContact CD2-CB 4.09Å; L536-V566 HydrophobicContact CD2-CG1 3.74Å; L536-V566 HydrophobicContact CG-CB 4.45Å; L536-V566 HydrophobicContact CG-CG1 4.5Å; L536-V566 HydrophobicContact CG-CG2 4.42Å; R537-V566 HydrophobicContact CB-CG2 3.96Å; L540-V566 HydrophobicContact CD1-CG2 4.14Å; V566-I568 PolarHBondContact O-N 3.05Å |
| 567 | Q | 87.8 | Confident | 74.5 | Confident | 117 Ų | 117 | 60.7 Ų | 60.7 | 55% | 0.547 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -67 | 129.7 | 176.8 | -174.2 | 173 | 6.2 | 0 | 0 | 109.8 | P565 N624 | P565-Q567 PolarHBondContact O-N 2.79Å; Q567-N624 PolarHBondContact NE2-ND2 3.27Å |
| 568 | I | 91.4 | Very high | 76.9 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | trans | -123.4 | 150.4 | 177.1 | -62.7 | -64.9 | 0 | 0 | 0 | 106.4 | W460 I472 E529 I532 L536 V566 L570 | W460-I568 HydrophobicContact CH2-CG2 4.37Å; W460-I568 HydrophobicContact CZ2-CG2 3.45Å; W460-I568 VanDerWaalsContact CZ2-CG2 3.45Å; I472-I568 HydrophobicContact CD1-CD1 3.8Å; I472-I568 HydrophobicContact CG1-CD1 4.34Å; E529-I568 HydrophobicContact CG-CB 3.51Å; E529-I568 HydrophobicContact CG-CG2 3.74Å; E529-I568 VanDerWaalsContact OE1-O 3.07Å; I532-I568 HydrophobicContact CG2-CD1 4.2Å; I532-I568 HydrophobicContact CG2-CG1 4.2Å; L536-I568 HydrophobicContact CD2-CD1 3.75Å; V566-I568 PolarHBondContact O-N 3.05Å; I568-L570 HydrophobicContact CG2-CB 4.32Å | ||
| 569 | N | 91.1 | Very high | 79.8 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | trans | -112.3 | 27.4 | -172.2 | -57 | -77 | 0 | 0 | 0 | 112.9 | L463 E464 C572 F573 L621 N624 | L463-N569 HydrophobicContact CB-CB 4.28Å; L463-N569 PolarHBondContact O-ND2 3.02Å; E464-N569 WeakPolarHBondContact OE1-CA 3.34Å; E464-N569 WeakPolarHBondContact OE1-CB 3.38Å; E464-N569 PolarHBondContact OE1-N 3.09Å; E464-N569 PolarHBondContact OE2-ND2 3.12Å; N569-C572 HydrophobicContact CB-CB 4.22Å; N569-C572 PolarHBondContact O-N 3.4Å; N569-F573 PolarHBondContact O-N 3.4Å; N569-L621 HydrophobicContact CB-CD2 3.92Å; N569-N624 PolarHBondContact OD1-ND2 2.91Å; N569-N624 VanDerWaalsContact OD1-ND2 3.13Å | ||
| 570 | L | 93.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -52.6 | -179.5 | 177.2 | 62.6 | 0 | 0 | 0 | 111 | W460 F485 F486 L489 C525 V528 E529 I568 C572 F573 I574 | W460-L570 HydrophobicContact CD2-CB 4.47Å; W460-L570 HydrophobicContact CD2-CD1 3.8Å; W460-L570 HydrophobicContact CE3-CD1 4.11Å; W460-L570 HydrophobicContact CG-CD1 4.11Å; W460-L570 HydrophobicContact CZ2-CB 3.85Å; W460-L570 HydrophobicContact CZ2-CD1 4.45Å; F485-L570 HydrophobicContact CE1-CD2 4.46Å; F486-L570 HydrophobicContact CE1-CD1 4.04Å; F486-L570 HydrophobicContact CE1-CD2 3.96Å; F486-L570 HydrophobicContact CZ-CD2 3.82Å; L489-L570 HydrophobicContact CD2-CD1 4.43Å; C525-L570 HydrophobicContact CB-CD2 4.24Å; C525-L570 HydrophobicContact CB-CG 4.28Å; V528-L570 HydrophobicContact CG1-CD2 4.13Å; E529-L570 PolarHBondContact OE2-N 3.46Å; I568-L570 HydrophobicContact CG2-CB 4.32Å; L570-C572 PolarHBondContact O-N 3.34Å; L570-F573 WeakPolarHBondContact O-CB 3.39Å; L570-F573 PolarHBondContact O-N 3.26Å; L570-I574 HydrophobicContact CD1-CG1 4.43Å; L570-I574 WeakPolarHBondContact O-CG1 3.14Å; L570-I574 PolarHBondContact O-N 2.77Å |
| 571 | S | 93.1 | Very high | 85.4 | Confident | 23 Ų | 23 | 38 Ų | 38 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -38.3 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | E529 I574 T575 | E529-S571 PolarHBondContact OE1-OG 3.04Å; E529-S571 VanDerWaalsContact OE2-CB 3.26Å; E529-S571 WeakPolarHBondContact OE2-CB 3.44Å; E529-S571 PolarHBondContact OE2-N 2.62Å; E529-S571 PolarHBondContact OE2-OG 2.95Å; S571-I574 PolarHBondContact O-N 2.9Å; S571-T575 VanDerWaalsContact O-CB 3.29Å; S571-T575 WeakPolarHBondContact O-CB 3.48Å; S571-T575 PolarHBondContact O-N 3.27Å; S571-T575 PolarHBondContact O-OG1 3.4Å |
| 572 | C | 91.8 | Very high | 87.7 | Confident | 22 Ų | 22 | 28.8 Ų | 28.8 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 175 | -67.9 | 0 | 0 | 0 | 0 | 112.2 | N569 L570 T575 Y576 L617 L621 | N569-C572 HydrophobicContact CB-CB 4.22Å; N569-C572 PolarHBondContact O-N 3.4Å; L570-C572 PolarHBondContact O-N 3.34Å; C572-T575 PolarHBondContact O-N 2.92Å; C572-Y576 WeakPolarHBondContact O-CB 3.45Å; C572-Y576 PolarHBondContact O-N 2.79Å; C572-L617 HydrophobicContact CB-CD1 4Å; C572-L621 HydrophobicContact CB-CD2 3.71Å; C572-L621 HydrophobicContact CB-CG 4.39Å |
| 573 | F | 91.7 | Very high | 90 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.1 | 177.6 | -117.5 | 0 | 0 | 0 | 111.9 | F456 W460 L463 N569 L570 T575 Y576 M577 I709 | F456-F573 HydrophobicContact CD2-CE1 4.48Å; F456-F573 AromaticContact CE2-CE1 3.84Å; F456-F573 HydrophobicContact CE2-CE1 3.84Å; F456-F573 HydrophobicContact CZ-CD1 4.33Å; F456-F573 HydrophobicContact CZ-CE1 4.02Å; W460-F573 HydrophobicContact CB-CD1 3.84Å; W460-F573 HydrophobicContact CB-CE1 4.15Å; W460-F573 HydrophobicContact CB-CG 4.24Å; W460-F573 HydrophobicContact CG-CD1 4.44Å; L463-F573 HydrophobicContact CD1-CB 3.78Å; L463-F573 HydrophobicContact CD1-CD2 3.92Å; L463-F573 HydrophobicContact CD1-CG 4.24Å; N569-F573 PolarHBondContact O-N 3.4Å; L570-F573 WeakPolarHBondContact O-CB 3.39Å; L570-F573 PolarHBondContact O-N 3.26Å; F573-T575 VanDerWaalsContact C-N 3.34Å; F573-T575 PolarHBondContact O-N 2.99Å; F573-Y576 WeakPolarHBondContact O-CB 3.41Å; F573-Y576 PolarHBondContact O-N 3.05Å; F573-M577 HydrophobicContact CE2-CG 4.3Å; F573-M577 HydrophobicContact CE2-SD 4.5Å; F573-M577 HydrophobicContact CZ-CG 4.25Å; F573-M577 WeakPolarHBondContact O-CG 3.44Å; F573-M577 PolarHBondContact O-N 3.07Å; F573-I709 HydrophobicContact CD2-CD1 4.04Å; F573-I709 HydrophobicContact CE2-CD1 3.99Å |
| 574 | I | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 177.5 | -58.9 | -50.5 | 0 | 0 | 0 | 110.8 | F456 L489 F493 L518 L522 L570 S571 Y576 M577 Y578 | F456-I574 HydrophobicContact CE2-CD1 4.17Å; F456-I574 HydrophobicContact CZ-CD1 3.83Å; L489-I574 HydrophobicContact CD1-CD1 4.42Å; L489-I574 HydrophobicContact CD2-CD1 4.49Å; F493-I574 HydrophobicContact CE2-CD1 3.73Å; F493-I574 HydrophobicContact CZ-CD1 3.72Å; F493-I574 HydrophobicContact CZ-CG2 4.14Å; L518-I574 HydrophobicContact CD1-CG2 4.14Å; L522-I574 HydrophobicContact CD1-CG2 4.49Å; L522-I574 HydrophobicContact CD2-CB 3.53Å; L522-I574 HydrophobicContact CD2-CG2 3.34Å; L522-I574 HydrophobicContact CG-CB 4.4Å; L522-I574 HydrophobicContact CG-CG2 3.65Å; L570-I574 HydrophobicContact CD1-CG1 4.43Å; L570-I574 WeakPolarHBondContact O-CG1 3.14Å; L570-I574 PolarHBondContact O-N 2.77Å; S571-I574 PolarHBondContact O-N 2.9Å; I574-Y576 VanDerWaalsContact C-N 3.32Å; I574-Y576 PolarHBondContact O-N 2.77Å; I574-M577 PolarHBondContact O-N 2.8Å; I574-Y578 WeakPolarHBondContact O-CB 3.36Å; I574-Y578 PolarHBondContact O-N 3.24Å |
| 575 | T | 94.3 | Very high | 92.5 | Very high | 21 Ų | 21 | 15.7 Ų | 15.7 | 13% | 0.129 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 176.2 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | L522 S571 C572 F573 Y578 Y579 L617 P785 | L522-T575 WeakPolarHBondContact CD2-OG1 3.33Å; S571-T575 VanDerWaalsContact O-CB 3.29Å; S571-T575 WeakPolarHBondContact O-CB 3.48Å; S571-T575 PolarHBondContact O-N 3.27Å; S571-T575 PolarHBondContact O-OG1 3.4Å; C572-T575 PolarHBondContact O-N 2.92Å; F573-T575 VanDerWaalsContact C-N 3.34Å; F573-T575 PolarHBondContact O-N 2.99Å; T575-Y578 WeakPolarHBondContact O-CB 3.31Å; T575-Y578 PolarHBondContact O-N 3.41Å; T575-Y579 HydrophobicContact CG2-CD2 4.17Å; T575-Y579 HydrophobicContact CG2-CE1 4.19Å; T575-Y579 HydrophobicContact CG2-CE2 3.59Å; T575-Y579 WeakPolarHBondContact O-CD2 3.28Å; T575-Y579 PolarHBondContact O-N 3.45Å; T575-L617 HydrophobicContact CG2-CD2 3.94Å; T575-P785 HydrophobicContact CG2-CB 3.8Å; T575-P785 HydrophobicContact CG2-CG 4.13Å |
| 576 | Y | 92.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 173 | 165.3 | -84.7 | 0 | 0 | 0 | 110.7 | C572 F573 I574 Y578 Y579 Y580 L614 I709 E714 | C572-Y576 WeakPolarHBondContact O-CB 3.45Å; C572-Y576 PolarHBondContact O-N 2.79Å; F573-Y576 WeakPolarHBondContact O-CB 3.41Å; F573-Y576 PolarHBondContact O-N 3.05Å; I574-Y576 VanDerWaalsContact C-N 3.32Å; I574-Y576 PolarHBondContact O-N 2.77Å; Y576-Y578 PolarHBondContact O-N 3.11Å; Y576-Y579 PolarHBondContact O-N 3.1Å; Y576-Y580 HydrophobicContact CD1-CD2 4.35Å; Y576-Y580 HydrophobicContact CD2-CD2 4.34Å; Y576-Y580 AromaticContact CD2-CE2 3.99Å; Y576-Y580 HydrophobicContact CD2-CE2 3.99Å; Y576-Y580 AromaticContact CE1-CD2 3.94Å; Y576-Y580 HydrophobicContact CE1-CD2 3.94Å; Y576-Y580 AromaticContact CE1-CE2 3.99Å; Y576-Y580 HydrophobicContact CE1-CE2 3.99Å; Y576-Y580 AromaticContact CE2-CD2 4Å; Y576-Y580 HydrophobicContact CE2-CD2 4Å; Y576-Y580 AromaticContact CE2-CE2 3.34Å; Y576-Y580 HydrophobicContact CE2-CE2 3.34Å; Y576-Y580 AromaticContact CZ-CD2 3.73Å; Y576-Y580 AromaticContact CZ-CE2 3.29Å; Y576-Y580 WeakPolarHBondContact O-CD2 3.45Å; Y576-Y580 PolarHBondContact O-N 3.3Å; Y576-Y580 WeakPolarHBondContact OH-CE2 3.29Å; Y576-L614 HydrophobicContact CD2-CD1 4.16Å; Y576-I709 HydrophobicContact CD2-CG2 3.96Å; Y576-I709 HydrophobicContact CE1-CD1 4.43Å; Y576-I709 HydrophobicContact CE2-CG2 3.67Å; Y576-E714 VanDerWaalsContact CE2-OE1 3.24Å; Y576-E714 WeakPolarHBondContact CE2-OE1 3.14Å; Y576-E714 PolarHBondContact OH-OE1 3.09Å; Y576-E714 VanDerWaalsContact OH-OE1 3.06Å |
| 577 | M | 92 | Very high | 93.6 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.3 | -66.8 | -58.9 | -59.3 | 0 | 0 | 111.8 | H383 W386 F493 I496 F573 I574 Y579 Y580 L581 L862 | H383-M577 HydrophobicContact CB-SD 4.47Å; W386-M577 HydrophobicContact CE3-CE 3.74Å; W386-M577 HydrophobicContact CZ3-CE 3.58Å; F493-M577 HydrophobicContact CE1-CB 3.9Å; F493-M577 HydrophobicContact CE1-CG 4.15Å; I496-M577 HydrophobicContact CD1-CE 4.26Å; F573-M577 HydrophobicContact CE2-CG 4.3Å; F573-M577 HydrophobicContact CE2-SD 4.5Å; F573-M577 HydrophobicContact CZ-CG 4.25Å; F573-M577 WeakPolarHBondContact O-CG 3.44Å; F573-M577 PolarHBondContact O-N 3.07Å; I574-M577 PolarHBondContact O-N 2.8Å; M577-Y579 VanDerWaalsContact C-N 3.32Å; M577-Y579 PolarHBondContact O-N 3.25Å; M577-Y580 PolarHBondContact O-N 2.81Å; M577-L581 WeakPolarHBondContact O-CG 3.48Å; M577-L581 PolarHBondContact O-N 2.91Å; M577-L862 HydrophobicContact CE-CD1 3.91Å; M577-L862 HydrophobicContact SD-CD1 4.28Å |
| 578 | Y | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -54.1 | -47.5 | 176.2 | -178.5 | -83.7 | 0 | 0 | 0 | 111.5 | L515 L518 P519 L522 I574 T575 Y576 Y580 L581 A582 F778 S784 P785 L786 | L515-Y578 HydrophobicContact CD2-CD2 4.35Å; L515-Y578 HydrophobicContact CD2-CE2 4.17Å; L518-Y578 HydrophobicContact CB-CD2 3.98Å; L518-Y578 HydrophobicContact CB-CE2 4.24Å; L518-Y578 HydrophobicContact CD2-CD2 3.58Å; L518-Y578 HydrophobicContact CD2-CG 4.28Å; L518-Y578 HydrophobicContact CG-CD2 3.84Å; P519-Y578 HydrophobicContact CG-CE2 4Å; L522-Y578 HydrophobicContact CD1-CD2 4.38Å; I574-Y578 WeakPolarHBondContact O-CB 3.36Å; I574-Y578 PolarHBondContact O-N 3.24Å; T575-Y578 WeakPolarHBondContact O-CB 3.31Å; T575-Y578 PolarHBondContact O-N 3.41Å; Y576-Y578 PolarHBondContact O-N 3.11Å; Y578-Y580 PolarHBondContact O-N 2.76Å; Y578-L581 PolarHBondContact O-N 3.42Å; Y578-A582 HydrophobicContact CE1-CB 4.44Å; Y578-A582 VanDerWaalsContact O-CB 3.27Å; Y578-A582 WeakPolarHBondContact O-CB 3.26Å; Y578-A582 PolarHBondContact O-N 3.29Å; Y578-F778 HydrophobicContact CE1-CD1 4.47Å; Y578-F778 WeakPolarHBondContact OH-CD1 3.4Å; Y578-S784 PolarHBondContact OH-OG 2.98Å; Y578-P785 HydrophobicContact CD1-CG 3.43Å; Y578-P785 VanDerWaalsContact CD1-CG 3.43Å; Y578-P785 HydrophobicContact CD2-CG 4.45Å; Y578-P785 HydrophobicContact CE1-CG 3.6Å; Y578-P785 HydrophobicContact CG-CG 3.92Å; Y578-L786 HydrophobicContact CD1-CD1 4.44Å; Y578-L786 HydrophobicContact CE1-CD1 3.69Å; Y578-L786 HydrophobicContact CE1-CG 3.89Å |
| 579 | Y | 95.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 6.4 Ų | 6.4 | 7% | 0.071 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 179.7 | -68 | -30.3 | 0 | 0 | 0 | 113.3 | T575 Y576 M577 A582 W583 L610 N613 L614 L617 P785 L786 | T575-Y579 HydrophobicContact CG2-CD2 4.17Å; T575-Y579 HydrophobicContact CG2-CE1 4.19Å; T575-Y579 HydrophobicContact CG2-CE2 3.59Å; T575-Y579 WeakPolarHBondContact O-CD2 3.28Å; T575-Y579 PolarHBondContact O-N 3.45Å; Y576-Y579 PolarHBondContact O-N 3.1Å; M577-Y579 VanDerWaalsContact C-N 3.32Å; M577-Y579 PolarHBondContact O-N 3.25Å; Y579-A582 PolarHBondContact O-N 3.47Å; Y579-W583 WeakPolarHBondContact O-CB 3.45Å; Y579-W583 PolarHBondContact O-N 2.97Å; Y579-L610 HydrophobicContact CD1-CD1 3.77Å; Y579-L610 HydrophobicContact CG-CD1 4.14Å; Y579-N613 HydrophobicContact CE1-CB 4.4Å; Y579-N613 HydrophobicContact CE2-CB 4.17Å; Y579-L614 HydrophobicContact CD2-CB 3.95Å; Y579-L614 HydrophobicContact CD2-CD1 3.89Å; Y579-L614 HydrophobicContact CG-CB 4.43Å; Y579-L614 HydrophobicContact CG-CD1 4.48Å; Y579-L617 HydrophobicContact CD2-CD2 3.93Å; Y579-L617 HydrophobicContact CE2-CB 4.28Å; Y579-L617 HydrophobicContact CE2-CD2 3.82Å; Y579-P785 HydrophobicContact CE1-CB 3.97Å; Y579-P785 HydrophobicContact CE1-CG 4.04Å; Y579-P785 PolarHBondContact OH-O 2.81Å; Y579-L786 HydrophobicContact CD1-CD1 4.37Å; Y579-L786 HydrophobicContact CD1-CD2 3.72Å; Y579-L786 HydrophobicContact CD1-CG 4.02Å; Y579-L786 HydrophobicContact CE1-CD2 3.38Å; Y579-L786 HydrophobicContact CE1-CG 3.75Å |
| 580 | Y | 93.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 6.6 Ų | 6.6 | 1% | 0.012 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | 175.8 | -86.7 | -79 | 0 | 0 | 0 | 112.4 | Y576 M577 Y578 W583 D584 L614 E714 L862 | Y576-Y580 HydrophobicContact CD1-CD2 4.35Å; Y576-Y580 HydrophobicContact CD2-CD2 4.34Å; Y576-Y580 AromaticContact CD2-CE2 3.99Å; Y576-Y580 HydrophobicContact CD2-CE2 3.99Å; Y576-Y580 AromaticContact CE1-CD2 3.94Å; Y576-Y580 HydrophobicContact CE1-CD2 3.94Å; Y576-Y580 AromaticContact CE1-CE2 3.99Å; Y576-Y580 HydrophobicContact CE1-CE2 3.99Å; Y576-Y580 AromaticContact CE2-CD2 4Å; Y576-Y580 HydrophobicContact CE2-CD2 4Å; Y576-Y580 AromaticContact CE2-CE2 3.34Å; Y576-Y580 HydrophobicContact CE2-CE2 3.34Å; Y576-Y580 AromaticContact CZ-CD2 3.73Å; Y576-Y580 AromaticContact CZ-CE2 3.29Å; Y576-Y580 WeakPolarHBondContact O-CD2 3.45Å; Y576-Y580 PolarHBondContact O-N 3.3Å; Y576-Y580 WeakPolarHBondContact OH-CE2 3.29Å; M577-Y580 PolarHBondContact O-N 2.81Å; Y578-Y580 PolarHBondContact O-N 2.76Å; Y580-W583 AromaticContact CD1-CE3 3.78Å; Y580-W583 HydrophobicContact CD1-CE3 3.78Å; Y580-W583 HydrophobicContact CD1-CZ3 4.11Å; Y580-W583 AromaticContact CE1-CE3 3.9Å; Y580-W583 HydrophobicContact CE1-CE3 3.9Å; Y580-W583 AromaticContact CE1-CZ3 3.77Å; Y580-W583 HydrophobicContact CE1-CZ3 3.77Å; Y580-W583 PolarHBondContact O-N 3.3Å; Y580-D584 PolarHBondContact O-N 3.49Å; Y580-L614 HydrophobicContact CD2-CD1 4.49Å; Y580-L614 HydrophobicContact CE2-CD1 4.15Å; Y580-L614 HydrophobicContact CE2-CD2 4.09Å; Y580-E714 PolarHBondContact OH-OE1 3.37Å; Y580-L862 HydrophobicContact CD1-CB 3.45Å; Y580-L862 VanDerWaalsContact CD1-CB 3.45Å; Y580-L862 WeakPolarHBondContact CD1-O 3.4Å; Y580-L862 HydrophobicContact CE1-CB 3.96Å; Y580-L862 WeakPolarHBondContact CE1-O 3.42Å; Y580-L862 HydrophobicContact CG-CB 3.92Å; Y580-L862 HydrophobicContact CG-CD1 4.28Å |
| 581 | L | 94.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | 174.9 | -65.3 | 177.3 | 0 | 0 | 0 | 111.3 | I496 Y500 L511 L515 L518 M577 Y578 W583 D584 Y585 | I496-L581 HydrophobicContact CD1-CD1 4.31Å; Y500-L581 WeakPolarHBondContact OH-CD2 3.49Å; L511-L581 HydrophobicContact CD2-CD2 4.01Å; L515-L581 HydrophobicContact CD2-CB 3.81Å; L518-L581 HydrophobicContact CD2-CD1 4.39Å; M577-L581 WeakPolarHBondContact O-CG 3.48Å; M577-L581 PolarHBondContact O-N 2.91Å; Y578-L581 PolarHBondContact O-N 3.42Å; L581-W583 VanDerWaalsContact C-N 3.34Å; L581-D584 PolarHBondContact O-N 3.17Å; L581-Y585 WeakPolarHBondContact O-CB 3.33Å; L581-Y585 PolarHBondContact O-N 3.17Å |
| 582 | A | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L515 Y578 Y579 Y585 V586 L610 F778 L786 | L515-A582 HydrophobicContact CD2-CB 4.29Å; Y578-A582 HydrophobicContact CE1-CB 4.44Å; Y578-A582 VanDerWaalsContact O-CB 3.27Å; Y578-A582 WeakPolarHBondContact O-CB 3.26Å; Y578-A582 PolarHBondContact O-N 3.29Å; Y579-A582 PolarHBondContact O-N 3.47Å; A582-Y585 PolarHBondContact O-N 3.34Å; A582-V586 WeakPolarHBondContact O-CG2 3.26Å; A582-V586 PolarHBondContact O-N 3.49Å; A582-L610 HydrophobicContact CB-CD1 4.36Å; A582-F778 HydrophobicContact CB-CD1 4.08Å; A582-F778 HydrophobicContact CB-CE1 3.4Å; A582-F778 VanDerWaalsContact CB-CE1 3.4Å; A582-F778 HydrophobicContact CB-CZ 3.86Å; A582-L786 HydrophobicContact CB-CD1 3.91Å |
| 583 | W | 96 | Very high | 94.2 | Very high | 5 Ų | 5 | 14.3 Ų | 14.3 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.3 | -49.4 | 175.2 | -176.9 | 19.7 | 0 | 0 | 0 | 111.2 | Y579 Y580 L581 Y585 V586 V587 L610 F611 L718 H721 P864 | Y579-W583 WeakPolarHBondContact O-CB 3.45Å; Y579-W583 PolarHBondContact O-N 2.97Å; Y580-W583 AromaticContact CD1-CE3 3.78Å; Y580-W583 HydrophobicContact CD1-CE3 3.78Å; Y580-W583 HydrophobicContact CD1-CZ3 4.11Å; Y580-W583 AromaticContact CE1-CE3 3.9Å; Y580-W583 HydrophobicContact CE1-CE3 3.9Å; Y580-W583 AromaticContact CE1-CZ3 3.77Å; Y580-W583 HydrophobicContact CE1-CZ3 3.77Å; Y580-W583 PolarHBondContact O-N 3.3Å; L581-W583 VanDerWaalsContact C-N 3.34Å; W583-Y585 VanDerWaalsContact C-N 3.33Å; W583-Y585 PolarHBondContact O-N 3.39Å; W583-V586 PolarHBondContact O-N 2.84Å; W583-V587 WeakPolarHBondContact O-CG2 3.22Å; W583-V587 PolarHBondContact O-N 3.01Å; W583-L610 HydrophobicContact CB-CD2 3.75Å; W583-L610 HydrophobicContact CG-CD2 4.32Å; W583-F611 AromaticContact CD2-CE1 3.84Å; W583-F611 HydrophobicContact CD2-CE1 3.84Å; W583-F611 HydrophobicContact CD2-CZ 4.12Å; W583-F611 AromaticContact CE2-CE1 3.61Å; W583-F611 AromaticContact CE2-CZ 3.47Å; W583-F611 VanDerWaalsContact CE2-CZ 3.47Å; W583-F611 HydrophobicContact CE3-CE1 4.2Å; W583-F611 HydrophobicContact CG-CE1 4.34Å; W583-F611 HydrophobicContact CG-CZ 4.47Å; W583-F611 HydrophobicContact CH2-CE1 4.17Å; W583-F611 HydrophobicContact CH2-CZ 4.47Å; W583-F611 AromaticContact CZ2-CE1 3.78Å; W583-F611 HydrophobicContact CZ2-CE1 3.78Å; W583-F611 AromaticContact CZ2-CZ 3.67Å; W583-F611 HydrophobicContact CZ2-CZ 3.67Å; W583-F611 HydrophobicContact CZ3-CE1 4.36Å; W583-F611 AromaticContact NE1-CE1 3.99Å; W583-F611 AromaticContact NE1-CZ 3.48Å; W583-L718 HydrophobicContact CZ3-CD2 4.12Å; W583-H721 HydrophobicContact CH2-CB 4.45Å; W583-H721 AromaticContact CH2-CD2 3.46Å; W583-H721 VanDerWaalsContact CH2-CD2 3.46Å; W583-H721 WeakPolarHBondContact CH2-CD2 3.47Å; W583-H721 AromaticContact CH2-CG 3.9Å; W583-H721 AromaticContact CH2-NE2 3.81Å; W583-H721 HydrophobicContact CZ2-CB 4.06Å; W583-H721 AromaticContact CZ2-CD2 3.67Å; W583-H721 AromaticContact CZ2-CG 3.62Å; W583-H721 AromaticContact CZ2-ND1 3.92Å; W583-H721 AromaticContact CZ2-NE2 3.97Å; W583-P864 HydrophobicContact CH2-CG 4.22Å; W583-P864 HydrophobicContact CZ2-CG 3.54Å |
| 584 | D | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 178.4 | -169.5 | 50 | 0 | 0 | 0 | 112.1 | Q394 R504 Y580 L581 V586 V587 S588 | Q394-D584 PolarHBondContact NE2-OD1 2.71Å; Q394-D584 PolarHBondContact NE2-OD2 3.39Å; Q394-D584 VanDerWaalsContact NE2-OD2 3.14Å; R504-D584 IonicContact CZ-OD1 2.75Å; R504-D584 IonicContact CZ-OD2 3.31Å; R504-D584 IonicContact NH1-OD1 3.76Å; R504-D584 PolarHBondContact NH1-OD1 3.43Å; R504-D584 IonicContact NH1-OD2 2.91Å; R504-D584 PolarHBondContact NH1-OD2 3.21Å; R504-D584 IonicContact NH2-OD1 3.74Å; R504-D584 PolarHBondContact NH2-OD1 2.94Å; R504-D584 IonicContact NH2-OD2 3.58Å; Y580-D584 PolarHBondContact O-N 3.49Å; L581-D584 PolarHBondContact O-N 3.17Å; D584-V586 VanDerWaalsContact C-N 3.34Å; D584-V586 PolarHBondContact O-N 3.34Å; D584-V587 PolarHBondContact O-N 3.31Å; D584-S588 WeakPolarHBondContact O-CB 3.37Å; D584-S588 PolarHBondContact O-N 3.1Å |
| 585 | Y | 95.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 18.4 Ų | 18.4 | 12% | 0.118 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 174.7 | -177.6 | -90 | 0 | 0 | 0 | 111.2 | R508 L511 L515 L581 A582 W583 S588 I777 F778 | R508-Y585 HydrophobicContact CG-CD2 4.29Å; R508-Y585 HydrophobicContact CG-CE2 4.05Å; R508-Y585 PolarHBondContact NH1-O 2.84Å; R508-Y585 PolarHBondContact NH2-OH 3.35Å; L511-Y585 HydrophobicContact CB-CD2 4.07Å; L515-Y585 VanDerWaalsContact CD1-CB 3.5Å; L515-Y585 HydrophobicContact CD1-CD1 4.43Å; L515-Y585 HydrophobicContact CD1-CD2 3.78Å; L515-Y585 HydrophobicContact CD1-CG 3.66Å; L581-Y585 WeakPolarHBondContact O-CB 3.33Å; L581-Y585 PolarHBondContact O-N 3.17Å; A582-Y585 PolarHBondContact O-N 3.34Å; W583-Y585 VanDerWaalsContact C-N 3.33Å; W583-Y585 PolarHBondContact O-N 3.39Å; Y585-S588 PolarHBondContact O-N 3.46Å; Y585-S588 PolarHBondContact O-OG 3.01Å; Y585-I777 HydrophobicContact CE1-CD1 4.24Å; Y585-I777 HydrophobicContact CE1-CG2 3.92Å; Y585-I777 HydrophobicContact CE2-CD1 4.03Å; Y585-F778 AromaticContact CD1-CE2 3.91Å; Y585-F778 HydrophobicContact CD1-CE2 3.91Å; Y585-F778 AromaticContact CD1-CZ 3.53Å; Y585-F778 HydrophobicContact CD1-CZ 3.53Å; Y585-F778 HydrophobicContact CE1-CE2 4.3Å; Y585-F778 HydrophobicContact CE1-CZ 4.2Å; Y585-F778 HydrophobicContact CG-CZ 4.14Å |
| 586 | V | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 178.1 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | A582 W583 D584 S588 G589 Y595 I603 F606 M607 L775 F778 | A582-V586 WeakPolarHBondContact O-CG2 3.26Å; A582-V586 PolarHBondContact O-N 3.49Å; W583-V586 PolarHBondContact O-N 2.84Å; D584-V586 VanDerWaalsContact C-N 3.34Å; D584-V586 PolarHBondContact O-N 3.34Å; V586-S588 VanDerWaalsContact C-N 3.34Å; V586-S588 PolarHBondContact O-N 3.38Å; V586-G589 PolarHBondContact O-N 3.39Å; V586-Y595 WeakPolarHBondContact CA-OH 3.46Å; V586-Y595 WeakPolarHBondContact O-CE2 3.29Å; V586-Y595 PolarHBondContact O-OH 3.43Å; V586-I603 HydrophobicContact CG1-CG2 3.71Å; V586-F606 HydrophobicContact CG2-CD1 4Å; V586-F606 HydrophobicContact CG2-CE1 3.77Å; V586-M607 HydrophobicContact CB-CG 4.39Å; V586-M607 HydrophobicContact CG1-CG 3.65Å; V586-M607 HydrophobicContact CG1-SD 3.73Å; V586-L775 HydrophobicContact CG2-CD2 4.47Å; V586-F778 HydrophobicContact CG2-CE2 3.89Å; V586-F778 HydrophobicContact CG2-CZ 4.25Å |
| 587 | V | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 179.4 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | W583 D584 G589 F590 Q591 M607 P864 C927 | W583-V587 WeakPolarHBondContact O-CG2 3.22Å; W583-V587 PolarHBondContact O-N 3.01Å; D584-V587 PolarHBondContact O-N 3.31Å; V587-G589 PolarHBondContact O-N 3.47Å; V587-G589 VanDerWaalsContact O-N 3.13Å; V587-F590 WeakPolarHBondContact O-CB 3.45Å; V587-F590 PolarHBondContact O-N 2.83Å; V587-Q591 PolarHBondContact O-N 3.34Å; V587-Q591 VanDerWaalsContact O-N 3.13Å; V587-M607 HydrophobicContact CG2-SD 4.45Å; V587-P864 HydrophobicContact CG1-CB 4.39Å; V587-P864 HydrophobicContact CG1-CG 4.29Å; V587-P864 HydrophobicContact CG2-CG 4.16Å; V587-C927 HydrophobicContact CG1-CB 4.35Å |
| 588 | S | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.2 | -31.7 | 176.6 | 73.2 | 0 | 0 | 0 | 0 | 112.4 | R508 D584 Y585 V586 F590 Q591 L592 | R508-S588 WeakPolarHBondContact CD-OG 3.43Å; R508-S588 PolarHBondContact NH1-OG 3.31Å; D584-S588 WeakPolarHBondContact O-CB 3.37Å; D584-S588 PolarHBondContact O-N 3.1Å; Y585-S588 PolarHBondContact O-N 3.46Å; Y585-S588 PolarHBondContact O-OG 3.01Å; V586-S588 VanDerWaalsContact C-N 3.34Å; V586-S588 PolarHBondContact O-N 3.38Å; S588-F590 VanDerWaalsContact C-N 3.34Å; S588-F590 PolarHBondContact O-N 2.93Å; S588-Q591 PolarHBondContact O-N 3.49Å; S588-L592 VanDerWaalsContact O-CB 3.27Å; S588-L592 WeakPolarHBondContact O-CB 3.31Å; S588-L592 VanDerWaalsContact O-CG 3.24Å; S588-L592 WeakPolarHBondContact O-CG 3.44Å; S588-L592 PolarHBondContact O-N 3.2Å |
| 589 | G | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.8 | -28.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | V586 V587 E593 L594 | V586-G589 PolarHBondContact O-N 3.39Å; V587-G589 PolarHBondContact O-N 3.47Å; V587-G589 VanDerWaalsContact O-N 3.13Å; G589-E593 PolarHBondContact O-N 3.01Å; G589-L594 PolarHBondContact O-N 3.4Å |
| 590 | F | 94.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 4% | 0.044 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.1 | -45.9 | 169.6 | -77.3 | -73.7 | 0 | 0 | 0 | 111 | V587 S588 L592 E593 Y595 I603 Y604 M607 Y920 K926 | V587-F590 WeakPolarHBondContact O-CB 3.45Å; V587-F590 PolarHBondContact O-N 2.83Å; S588-F590 VanDerWaalsContact C-N 3.34Å; S588-F590 PolarHBondContact O-N 2.93Å; F590-L592 VanDerWaalsContact C-N 3.25Å; F590-L592 PolarHBondContact O-N 3.44Å; F590-E593 PolarHBondContact O-N 2.68Å; F590-Y595 HydrophobicContact CB-CD2 4.49Å; F590-Y595 AromaticContact CD1-CD2 3.8Å; F590-Y595 HydrophobicContact CD1-CD2 3.8Å; F590-Y595 HydrophobicContact CD1-CE2 4.42Å; F590-Y595 AromaticContact CD2-CD2 3.83Å; F590-Y595 HydrophobicContact CD2-CD2 3.83Å; F590-Y595 AromaticContact CD2-CE2 3.62Å; F590-Y595 HydrophobicContact CD2-CE2 3.62Å; F590-Y595 AromaticContact CE1-CD2 3.88Å; F590-Y595 HydrophobicContact CE1-CD2 3.88Å; F590-Y595 AromaticContact CE2-CD2 3.92Å; F590-Y595 HydrophobicContact CE2-CD2 3.92Å; F590-Y595 AromaticContact CE2-CE2 3.83Å; F590-Y595 HydrophobicContact CE2-CE2 3.83Å; F590-Y595 AromaticContact CG-CD2 3.77Å; F590-Y595 HydrophobicContact CG-CD2 3.77Å; F590-Y595 AromaticContact CG-CE2 3.94Å; F590-Y595 HydrophobicContact CG-CE2 3.94Å; F590-Y595 AromaticContact CZ-CD2 3.94Å; F590-Y595 HydrophobicContact CZ-CD2 3.94Å; F590-Y595 HydrophobicContact CZ-CE2 4.32Å; F590-Y595 VanDerWaalsContact N-CE2 3.34Å; F590-I603 HydrophobicContact CE2-CG2 3.43Å; F590-I603 VanDerWaalsContact CE2-CG2 3.43Å; F590-I603 HydrophobicContact CZ-CB 4.33Å; F590-I603 HydrophobicContact CZ-CG2 3.62Å; F590-Y604 HydrophobicContact CE1-CE2 4.31Å; F590-Y604 AromaticContact CE1-CZ 3.93Å; F590-Y604 HydrophobicContact CE2-CE1 4.23Å; F590-Y604 HydrophobicContact CZ-CD1 4.4Å; F590-Y604 AromaticContact CZ-CE1 3.83Å; F590-Y604 HydrophobicContact CZ-CE1 3.83Å; F590-Y604 HydrophobicContact CZ-CE2 4Å; F590-Y604 AromaticContact CZ-CZ 3.6Å; F590-M607 HydrophobicContact CE2-CE 3.82Å; F590-Y920 HydrophobicContact CD1-CE1 4.48Å; F590-K926 WeakPolarHBondContact CB-O 3.26Å |
| 591 | Q | 92.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 23.8 Ų | 23.8 | 9% | 0.089 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59 | -39.9 | -178.7 | -165.2 | 174.9 | 1.7 | 0 | 0 | 112.2 | Q394 V587 S588 E593 S925 K926 | Q394-Q591 PolarHBondContact O-NE2 2.93Å; V587-Q591 PolarHBondContact O-N 3.34Å; V587-Q591 VanDerWaalsContact O-N 3.13Å; S588-Q591 PolarHBondContact O-N 3.49Å; Q591-E593 VanDerWaalsContact C-N 3.34Å; Q591-S925 PolarHBondContact N-O 2.86Å; Q591-K926 PolarHBondContact O-NZ 2.9Å; Q591-K926 VanDerWaalsContact O-NZ 3.16Å |
| 592 | L | 92 | Very high | 92 | Very high | 51 Ų | 51 | 23.7 Ų | 23.7 | 27% | 0.267 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 6.1 | 177.2 | -61.9 | 171.2 | 0 | 0 | 0 | 113.7 | R504 R508 S588 F590 L594 | R504-L592 HydrophobicContact CB-CD2 4.25Å; R504-L592 HydrophobicContact CG-CD2 4.11Å; R504-L592 HydrophobicContact CG-CG 4.32Å; R508-L592 HydrophobicContact CB-CD1 4.02Å; S588-L592 VanDerWaalsContact O-CB 3.27Å; S588-L592 WeakPolarHBondContact O-CB 3.31Å; S588-L592 VanDerWaalsContact O-CG 3.24Å; S588-L592 WeakPolarHBondContact O-CG 3.44Å; S588-L592 PolarHBondContact O-N 3.2Å; F590-L592 VanDerWaalsContact C-N 3.25Å; F590-L592 PolarHBondContact O-N 3.44Å; L592-L594 HydrophobicContact CB-CD1 4.12Å; L592-L594 HydrophobicContact CB-CD2 4.33Å; L592-L594 HydrophobicContact CB-CG 3.81Å; L592-L594 HydrophobicContact CD1-CD1 4.28Å; L592-L594 PolarHBondContact O-N 3.24Å |
| 593 | E | 92.6 | Very high | 91.9 | Very high | 138 Ų | 138 | 23.7 Ų | 23.7 | 65% | 0.645 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 34.7 | 176.8 | -60.6 | 177.5 | -164 | 0 | 0 | 114.2 | G589 F590 Q591 K926 | G589-E593 PolarHBondContact O-N 3.01Å; F590-E593 PolarHBondContact O-N 2.68Å; Q591-E593 VanDerWaalsContact C-N 3.34Å; E593-K926 IonicContact OE1-NZ 3.68Å; E593-K926 PolarHBondContact OE1-NZ 2.89Å |
| 594 | L | 94.5 | Very high | 91.9 | Very high | 71 Ų | 71 | 23.5 Ų | 23.5 | 37% | 0.372 | 12% | 0.124 | S | C | . | . | trans | -81.7 | -18.7 | -177.1 | -59.6 | -179.8 | 0 | 0 | 0 | 113.7 | R508 G589 L592 R774 | R508-L594 VanDerWaalsContact CD-CD1 3.47Å; G589-L594 PolarHBondContact O-N 3.4Å; L592-L594 HydrophobicContact CB-CD1 4.12Å; L592-L594 HydrophobicContact CB-CD2 4.33Å; L592-L594 HydrophobicContact CB-CG 3.81Å; L592-L594 HydrophobicContact CD1-CD1 4.28Å; L592-L594 PolarHBondContact O-N 3.24Å; L594-R774 VanDerWaalsContact O-CZ 3.28Å; L594-R774 PolarHBondContact O-NH1 2.93Å; L594-R774 PolarHBondContact O-NH2 2.85Å | ||
| 595 | Y | 92.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 23.8 Ų | 23.8 | 6% | 0.063 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -93.5 | 121 | -179.7 | -52 | -47.5 | 0 | 0 | 0 | 110.8 | V586 F590 W600 I603 R774 | V586-Y595 WeakPolarHBondContact CA-OH 3.46Å; V586-Y595 WeakPolarHBondContact O-CE2 3.29Å; V586-Y595 PolarHBondContact O-OH 3.43Å; F590-Y595 HydrophobicContact CB-CD2 4.49Å; F590-Y595 AromaticContact CD1-CD2 3.8Å; F590-Y595 HydrophobicContact CD1-CD2 3.8Å; F590-Y595 HydrophobicContact CD1-CE2 4.42Å; F590-Y595 AromaticContact CD2-CD2 3.83Å; F590-Y595 HydrophobicContact CD2-CD2 3.83Å; F590-Y595 AromaticContact CD2-CE2 3.62Å; F590-Y595 HydrophobicContact CD2-CE2 3.62Å; F590-Y595 AromaticContact CE1-CD2 3.88Å; F590-Y595 HydrophobicContact CE1-CD2 3.88Å; F590-Y595 AromaticContact CE2-CD2 3.92Å; F590-Y595 HydrophobicContact CE2-CD2 3.92Å; F590-Y595 AromaticContact CE2-CE2 3.83Å; F590-Y595 HydrophobicContact CE2-CE2 3.83Å; F590-Y595 AromaticContact CG-CD2 3.77Å; F590-Y595 HydrophobicContact CG-CD2 3.77Å; F590-Y595 AromaticContact CG-CE2 3.94Å; F590-Y595 HydrophobicContact CG-CE2 3.94Å; F590-Y595 AromaticContact CZ-CD2 3.94Å; F590-Y595 HydrophobicContact CZ-CD2 3.94Å; F590-Y595 HydrophobicContact CZ-CE2 4.32Å; F590-Y595 VanDerWaalsContact N-CE2 3.34Å; Y595-W600 PolarHBondContact O-NE1 3.48Å; Y595-I603 HydrophobicContact CD1-CD1 4.1Å; Y595-I603 HydrophobicContact CD1-CG1 4.12Å; Y595-I603 HydrophobicContact CD2-CG1 4.43Å; Y595-I603 HydrophobicContact CD2-CG2 4.29Å; Y595-I603 HydrophobicContact CE1-CD1 3.8Å; Y595-I603 HydrophobicContact CE1-CG1 4.26Å; Y595-I603 HydrophobicContact CE2-CG2 4Å; Y595-I603 HydrophobicContact CG-CG1 4.22Å; Y595-R774 HydrophobicContact CD1-CG 4.14Å; Y595-R774 HydrophobicContact CE1-CG 3.8Å |
| 596 | S | 87.6 | Confident | 91.6 | Very high | 51 Ų | 51 | 22.6 Ų | 22.6 | 36% | 0.357 | 12% | 0.122 | S | C | . | . | trans | -67.1 | 156.3 | 168.1 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | S598 E599 W600 | S596-S598 PolarHBondContact O-N 3.02Å; S596-S598 VanDerWaalsContact O-N 3.16Å; S596-S598 PolarHBondContact OG-OG 3.31Å; S596-E599 WeakPolarHBondContact CB-OE2 3.36Å; S596-E599 PolarHBondContact N-OE2 3.46Å; S596-E599 WeakPolarHBondContact O-CB 3.46Å; S596-E599 PolarHBondContact O-N 2.9Å; S596-E599 VanDerWaalsContact OG-CD 3.31Å; S596-E599 VanDerWaalsContact OG-CG 3.26Å; S596-E599 WeakPolarHBondContact OG-CG 3.28Å; S596-E599 PolarHBondContact OG-OE2 2.71Å; S596-W600 VanDerWaalsContact O-CD1 3.22Å; S596-W600 PolarHBondContact O-NE1 3.45Å | ||
| 597 | S | 83.9 | Confident | 91.5 | Very high | 29 Ų | 29 | 22.6 Ų | 22.6 | 20% | 0.203 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23.6 | 179.5 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | E599 L910 | S597-E599 VanDerWaalsContact C-N 3.27Å; S597-E599 PolarHBondContact O-N 3.22Å; S597-L910 VanDerWaalsContact OG-CD1 3.31Å; S597-L910 WeakPolarHBondContact OG-CD1 3.49Å |
| 598 | S | 81.1 | Confident | 91.3 | Very high | 43 Ų | 43 | 23.2 Ų | 23.2 | 30% | 0.301 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31.1 | 169.6 | 27.4 | 0 | 0 | 0 | 0 | 113 | S596 Y767 | S596-S598 PolarHBondContact O-N 3.02Å; S596-S598 VanDerWaalsContact O-N 3.16Å; S596-S598 PolarHBondContact OG-OG 3.31Å; S598-Y767 WeakPolarHBondContact CA-OH 3.42Å; S598-Y767 WeakPolarHBondContact CB-OH 3.45Å; S598-Y767 WeakPolarHBondContact O-CE1 3.41Å; S598-Y767 PolarHBondContact O-OH 2.7Å |
| 599 | E | 87.4 | Confident | 91.1 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -19 | -171.5 | -64.9 | 171.9 | 104.5 | 0 | 0 | 113.4 | S596 S597 L601 F602 I603 S770 R774 | S596-E599 WeakPolarHBondContact CB-OE2 3.36Å; S596-E599 PolarHBondContact N-OE2 3.46Å; S596-E599 WeakPolarHBondContact O-CB 3.46Å; S596-E599 PolarHBondContact O-N 2.9Å; S596-E599 VanDerWaalsContact OG-CD 3.31Å; S596-E599 VanDerWaalsContact OG-CG 3.26Å; S596-E599 WeakPolarHBondContact OG-CG 3.28Å; S596-E599 PolarHBondContact OG-OE2 2.71Å; S597-E599 VanDerWaalsContact C-N 3.27Å; S597-E599 PolarHBondContact O-N 3.22Å; E599-L601 VanDerWaalsContact C-N 3.3Å; E599-L601 PolarHBondContact O-N 3.07Å; E599-L601 VanDerWaalsContact O-N 3.14Å; E599-F602 VanDerWaalsContact CA-CE1 3.42Å; E599-F602 HydrophobicContact CB-CD1 4.38Å; E599-F602 HydrophobicContact CB-CE1 3.56Å; E599-F602 HydrophobicContact CB-CE2 4.13Å; E599-F602 HydrophobicContact CB-CZ 3.4Å; E599-F602 HydrophobicContact CG-CE1 3.57Å; E599-F602 HydrophobicContact CG-CZ 3.44Å; E599-F602 VanDerWaalsContact CG-CZ 3.44Å; E599-F602 WeakPolarHBondContact O-CD1 3.22Å; E599-F602 WeakPolarHBondContact O-CG 3.49Å; E599-F602 PolarHBondContact O-N 2.83Å; E599-I603 WeakPolarHBondContact O-CG1 3.49Å; E599-I603 PolarHBondContact O-N 3.46Å; E599-S770 PolarHBondContact OE1-OG 3.28Å; E599-R774 IonicContact OE1-CZ 3.61Å; E599-R774 VanDerWaalsContact OE1-CZ 3.27Å; E599-R774 IonicContact OE1-NE 3.74Å; E599-R774 PolarHBondContact OE1-NE 3.11Å; E599-R774 IonicContact OE1-NH2 3.76Å; E599-R774 PolarHBondContact OE1-NH2 2.67Å; E599-R774 IonicContact OE2-CZ 3.78Å; E599-R774 IonicContact OE2-NH2 2.88Å; E599-R774 PolarHBondContact OE2-NH2 3.38Å |
| 600 | W | 90.1 | Very high | 91.1 | Very high | 24 Ų | 24 | 25.2 Ų | 25.2 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -51.6 | -44 | -171.7 | -67 | -10 | 0 | 0 | 0 | 113.8 | Y595 S596 F602 I603 Y604 I732 F909 L910 L918 Y920 | Y595-W600 PolarHBondContact O-NE1 3.48Å; S596-W600 VanDerWaalsContact O-CD1 3.22Å; S596-W600 PolarHBondContact O-NE1 3.45Å; W600-F602 PolarHBondContact O-N 3.14Å; W600-I603 PolarHBondContact O-N 2.93Å; W600-Y604 HydrophobicContact CB-CD2 4.2Å; W600-Y604 HydrophobicContact CB-CE2 4.02Å; W600-Y604 WeakPolarHBondContact O-CD2 3.42Å; W600-Y604 PolarHBondContact O-N 3.35Å; W600-I732 HydrophobicContact CB-CD1 4.47Å; W600-I732 HydrophobicContact CE3-CD1 4Å; W600-I732 HydrophobicContact CE3-CG2 4.28Å; W600-F909 AromaticContact CZ3-CE2 3.95Å; W600-F909 HydrophobicContact CZ3-CE2 3.95Å; W600-F909 HydrophobicContact CZ3-CZ 4.26Å; W600-L910 HydrophobicContact CH2-CD2 4.1Å; W600-L918 HydrophobicContact CH2-CD1 4.11Å; W600-L918 HydrophobicContact CZ3-CD1 3.63Å; W600-Y920 AromaticContact CH2-CE2 3.65Å; W600-Y920 HydrophobicContact CH2-CE2 3.65Å; W600-Y920 AromaticContact CZ2-CE2 3.79Å; W600-Y920 HydrophobicContact CZ2-CE2 3.79Å; W600-Y920 HydrophobicContact CZ3-CE2 4.26Å |
| 601 | L | 89.3 | Confident | 91 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | -177.8 | -79.8 | -179.6 | 0 | 0 | 0 | 112.9 | E599 I603 Y604 A605 L729 I732 R733 I743 W799 V803 | E599-L601 VanDerWaalsContact C-N 3.3Å; E599-L601 PolarHBondContact O-N 3.07Å; E599-L601 VanDerWaalsContact O-N 3.14Å; L601-I603 VanDerWaalsContact C-N 3.31Å; L601-Y604 PolarHBondContact O-N 3.14Å; L601-A605 WeakPolarHBondContact O-CB 3.22Å; L601-A605 PolarHBondContact O-N 3.49Å; L601-L729 HydrophobicContact CD2-CD1 4.03Å; L601-L729 HydrophobicContact CD2-CG 4.18Å; L601-L729 WeakPolarHBondContact O-CD1 3.35Å; L601-I732 HydrophobicContact CD2-CG2 4.25Å; L601-I732 HydrophobicContact CG-CG2 4.48Å; L601-R733 HydrophobicContact CD2-CB 4.04Å; L601-I743 HydrophobicContact CD1-CD1 4.1Å; L601-W799 HydrophobicContact CB-CZ3 4.28Å; L601-V803 HydrophobicContact CD1-CG1 4.35Å |
| 602 | F | 89.1 | Confident | 90.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.7 | -27.5 | -177.3 | 70.6 | -118.7 | 0 | 0 | 0 | 111.6 | E599 W600 F606 Y767 Y771 R774 L775 W799 | E599-F602 VanDerWaalsContact CA-CE1 3.42Å; E599-F602 HydrophobicContact CB-CD1 4.38Å; E599-F602 HydrophobicContact CB-CE1 3.56Å; E599-F602 HydrophobicContact CB-CE2 4.13Å; E599-F602 HydrophobicContact CB-CZ 3.4Å; E599-F602 HydrophobicContact CG-CE1 3.57Å; E599-F602 HydrophobicContact CG-CZ 3.44Å; E599-F602 VanDerWaalsContact CG-CZ 3.44Å; E599-F602 WeakPolarHBondContact O-CD1 3.22Å; E599-F602 WeakPolarHBondContact O-CG 3.49Å; E599-F602 PolarHBondContact O-N 2.83Å; W600-F602 PolarHBondContact O-N 3.14Å; F602-F606 VanDerWaalsContact O-CB 3.32Å; F602-F606 WeakPolarHBondContact O-CB 3.45Å; F602-F606 PolarHBondContact O-N 3.45Å; F602-Y767 AromaticContact CD1-CD1 4Å; F602-Y767 HydrophobicContact CD1-CD1 4Å; F602-Y767 HydrophobicContact CD1-CE1 4.14Å; F602-Y767 HydrophobicContact CE1-CD1 4.17Å; F602-Y767 HydrophobicContact CE1-CE1 4.32Å; F602-Y771 HydrophobicContact CB-CD2 3.74Å; F602-Y771 HydrophobicContact CB-CE2 3.92Å; F602-Y771 HydrophobicContact CD1-CD2 4.27Å; F602-Y771 AromaticContact CD2-CD2 3.47Å; F602-Y771 HydrophobicContact CD2-CD2 3.47Å; F602-Y771 VanDerWaalsContact CD2-CD2 3.47Å; F602-Y771 AromaticContact CD2-CE2 3.97Å; F602-Y771 HydrophobicContact CD2-CE2 3.97Å; F602-Y771 HydrophobicContact CE2-CD2 4.06Å; F602-Y771 AromaticContact CG-CD2 3.6Å; F602-Y771 HydrophobicContact CG-CD2 3.6Å; F602-Y771 HydrophobicContact CG-CE2 4.19Å; F602-R774 HydrophobicContact CE2-CB 4.25Å; F602-R774 HydrophobicContact CE2-CG 4.45Å; F602-R774 HydrophobicContact CZ-CB 4.49Å; F602-L775 HydrophobicContact CD2-CD1 4.02Å; F602-L775 HydrophobicContact CE2-CD1 4.36Å; F602-W799 HydrophobicContact CB-CD2 3.69Å; F602-W799 HydrophobicContact CB-CE3 4.07Å; F602-W799 HydrophobicContact CB-CG 4.13Å; F602-W799 HydrophobicContact CB-CH2 4.3Å; F602-W799 HydrophobicContact CB-CZ2 3.94Å; F602-W799 HydrophobicContact CB-CZ3 4.36Å |
| 603 | I | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.1 | -48.2 | 173 | -65.4 | -63.2 | 0 | 0 | 0 | 110.6 | V586 F590 Y595 E599 W600 L601 A605 F606 M607 R774 L775 | V586-I603 HydrophobicContact CG1-CG2 3.71Å; F590-I603 HydrophobicContact CE2-CG2 3.43Å; F590-I603 VanDerWaalsContact CE2-CG2 3.43Å; F590-I603 HydrophobicContact CZ-CB 4.33Å; F590-I603 HydrophobicContact CZ-CG2 3.62Å; Y595-I603 HydrophobicContact CD1-CD1 4.1Å; Y595-I603 HydrophobicContact CD1-CG1 4.12Å; Y595-I603 HydrophobicContact CD2-CG1 4.43Å; Y595-I603 HydrophobicContact CD2-CG2 4.29Å; Y595-I603 HydrophobicContact CE1-CD1 3.8Å; Y595-I603 HydrophobicContact CE1-CG1 4.26Å; Y595-I603 HydrophobicContact CE2-CG2 4Å; Y595-I603 HydrophobicContact CG-CG1 4.22Å; E599-I603 WeakPolarHBondContact O-CG1 3.49Å; E599-I603 PolarHBondContact O-N 3.46Å; W600-I603 PolarHBondContact O-N 2.93Å; L601-I603 VanDerWaalsContact C-N 3.31Å; I603-A605 PolarHBondContact O-N 3.19Å; I603-F606 PolarHBondContact O-N 3.15Å; I603-M607 HydrophobicContact CG2-CE 4.3Å; I603-M607 PolarHBondContact O-N 3.16Å; I603-R774 HydrophobicContact CD1-CG 3.93Å; I603-L775 HydrophobicContact CD1-CD1 4.39Å; I603-L775 HydrophobicContact CD1-CD2 4.15Å; I603-L775 HydrophobicContact CD1-CG 4.32Å |
| 604 | Y | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.7 | -74.7 | -55.9 | 0 | 0 | 0 | 111.3 | F590 W600 L601 F606 M607 I608 N725 T728 I732 C927 Y928 | F590-Y604 HydrophobicContact CE1-CE2 4.31Å; F590-Y604 AromaticContact CE1-CZ 3.93Å; F590-Y604 HydrophobicContact CE2-CE1 4.23Å; F590-Y604 HydrophobicContact CZ-CD1 4.4Å; F590-Y604 AromaticContact CZ-CE1 3.83Å; F590-Y604 HydrophobicContact CZ-CE1 3.83Å; F590-Y604 HydrophobicContact CZ-CE2 4Å; F590-Y604 AromaticContact CZ-CZ 3.6Å; W600-Y604 HydrophobicContact CB-CD2 4.2Å; W600-Y604 HydrophobicContact CB-CE2 4.02Å; W600-Y604 WeakPolarHBondContact O-CD2 3.42Å; W600-Y604 PolarHBondContact O-N 3.35Å; L601-Y604 PolarHBondContact O-N 3.14Å; Y604-F606 PolarHBondContact O-N 3Å; Y604-M607 HydrophobicContact CD1-CE 3.33Å; Y604-M607 HydrophobicContact CE1-CE 3.74Å; Y604-M607 HydrophobicContact CG-CE 4.29Å; Y604-M607 PolarHBondContact O-N 2.94Å; Y604-I608 WeakPolarHBondContact O-CG1 3.05Å; Y604-I608 PolarHBondContact O-N 2.79Å; Y604-N725 WeakPolarHBondContact CA-OD1 3.29Å; Y604-N725 WeakPolarHBondContact CB-OD1 3.45Å; Y604-N725 WeakPolarHBondContact CD1-OD1 3.2Å; Y604-N725 PolarHBondContact O-ND2 3.42Å; Y604-N725 PolarHBondContact O-OD1 3.02Å; Y604-T728 HydrophobicContact CD1-CG2 4.46Å; Y604-T728 HydrophobicContact CD2-CG2 4.35Å; Y604-T728 HydrophobicContact CE1-CG2 3.88Å; Y604-T728 HydrophobicContact CE2-CG2 3.77Å; Y604-T728 VanDerWaalsContact CZ-CG2 3.49Å; Y604-I732 HydrophobicContact CD2-CD1 3.9Å; Y604-I732 HydrophobicContact CE2-CD1 3.29Å; Y604-C927 WeakPolarHBondContact CE1-O 3.37Å; Y604-C927 PolarHBondContact OH-O 2.55Å; Y604-Y928 HydrophobicContact CE1-CD1 4.25Å; Y604-Y928 HydrophobicContact CE1-CE1 4.39Å |
| 605 | A | 91.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 5% | 0.05 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L601 I603 M607 I608 H609 L729 W799 L802 | L601-A605 WeakPolarHBondContact O-CB 3.22Å; L601-A605 PolarHBondContact O-N 3.49Å; I603-A605 PolarHBondContact O-N 3.19Å; A605-M607 PolarHBondContact O-N 3.38Å; A605-I608 WeakPolarHBondContact O-CB 3.41Å; A605-I608 PolarHBondContact O-N 3.13Å; A605-I608 VanDerWaalsContact O-N 3.14Å; A605-H609 PolarHBondContact O-N 2.89Å; A605-H609 VanDerWaalsContact O-N 3.14Å; A605-L729 HydrophobicContact CB-CD1 4.2Å; A605-W799 HydrophobicContact CB-CB 3.78Å; A605-L802 HydrophobicContact CB-CD2 4.27Å |
| 606 | F | 93.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 173.5 | 177.4 | -96.9 | 0 | 0 | 0 | 111.7 | V586 F602 I603 Y604 I608 H609 L610 L775 F778 L779 L786 | V586-F606 HydrophobicContact CG2-CD1 4Å; V586-F606 HydrophobicContact CG2-CE1 3.77Å; F602-F606 VanDerWaalsContact O-CB 3.32Å; F602-F606 WeakPolarHBondContact O-CB 3.45Å; F602-F606 PolarHBondContact O-N 3.45Å; I603-F606 PolarHBondContact O-N 3.15Å; Y604-F606 PolarHBondContact O-N 3Å; F606-I608 VanDerWaalsContact C-N 3.27Å; F606-I608 PolarHBondContact O-N 2.94Å; F606-H609 WeakPolarHBondContact O-CB 3.48Å; F606-H609 PolarHBondContact O-N 3.04Å; F606-H609 VanDerWaalsContact O-N 3.15Å; F606-L610 PolarHBondContact O-N 3.34Å; F606-L775 HydrophobicContact CB-CD1 3.67Å; F606-L775 HydrophobicContact CB-CD2 4.49Å; F606-L775 HydrophobicContact CD1-CD1 4.4Å; F606-L775 HydrophobicContact CD1-CD2 3.75Å; F606-L775 HydrophobicContact CD2-CD1 3.82Å; F606-L775 HydrophobicContact CD2-CD2 4.24Å; F606-L775 HydrophobicContact CD2-CG 4.49Å; F606-L775 HydrophobicContact CE1-CD2 3.95Å; F606-L775 HydrophobicContact CE2-CD2 4.41Å; F606-L775 HydrophobicContact CG-CD1 3.7Å; F606-L775 HydrophobicContact CG-CD2 3.89Å; F606-L775 HydrophobicContact CG-CG 4.4Å; F606-L775 HydrophobicContact CZ-CD2 4.26Å; F606-F778 AromaticContact CE1-CD2 3.87Å; F606-F778 HydrophobicContact CE1-CD2 3.87Å; F606-F778 AromaticContact CE1-CE2 3.99Å; F606-F778 HydrophobicContact CE1-CE2 3.99Å; F606-F778 HydrophobicContact CE2-CB 4.4Å; F606-F778 HydrophobicContact CE2-CD2 4.26Å; F606-F778 HydrophobicContact CZ-CB 4.03Å; F606-F778 AromaticContact CZ-CD2 3.41Å; F606-F778 HydrophobicContact CZ-CD2 3.41Å; F606-F778 VanDerWaalsContact CZ-CD2 3.41Å; F606-F778 HydrophobicContact CZ-CE2 4.01Å; F606-F778 AromaticContact CZ-CG 3.82Å; F606-F778 HydrophobicContact CZ-CG 3.82Å; F606-L779 HydrophobicContact CE2-CD2 4.33Å; F606-L786 HydrophobicContact CZ-CD1 3.8Å |
| 607 | M | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.4 | -31.7 | 175.5 | -73.7 | -169.3 | -60.8 | 0 | 0 | 112.5 | V586 V587 F590 I603 Y604 A605 H609 L610 F611 N725 | V586-M607 HydrophobicContact CB-CG 4.39Å; V586-M607 HydrophobicContact CG1-CG 3.65Å; V586-M607 HydrophobicContact CG1-SD 3.73Å; V587-M607 HydrophobicContact CG2-SD 4.45Å; F590-M607 HydrophobicContact CE2-CE 3.82Å; I603-M607 HydrophobicContact CG2-CE 4.3Å; I603-M607 PolarHBondContact O-N 3.16Å; Y604-M607 HydrophobicContact CD1-CE 3.33Å; Y604-M607 HydrophobicContact CE1-CE 3.74Å; Y604-M607 HydrophobicContact CG-CE 4.29Å; Y604-M607 PolarHBondContact O-N 2.94Å; A605-M607 PolarHBondContact O-N 3.38Å; M607-H609 VanDerWaalsContact C-N 3.34Å; M607-L610 PolarHBondContact O-N 3.47Å; M607-F611 HydrophobicContact CB-CE2 4.3Å; M607-F611 WeakPolarHBondContact O-CD2 3.39Å; M607-F611 WeakPolarHBondContact O-CG 3.4Å; M607-F611 PolarHBondContact O-N 3.32Å; M607-N725 VanDerWaalsContact C-ND2 3.25Å; M607-N725 WeakPolarHBondContact CB-ND2 3.1Å |
| 608 | I | 91.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 7% | 0.067 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | 174.1 | -68 | 170.9 | 0 | 0 | 0 | 109.5 | Y604 A605 F606 F611 Q612 N725 L729 | Y604-I608 WeakPolarHBondContact O-CG1 3.05Å; Y604-I608 PolarHBondContact O-N 2.79Å; A605-I608 WeakPolarHBondContact O-CB 3.41Å; A605-I608 PolarHBondContact O-N 3.13Å; A605-I608 VanDerWaalsContact O-N 3.14Å; F606-I608 VanDerWaalsContact C-N 3.27Å; F606-I608 PolarHBondContact O-N 2.94Å; I608-F611 PolarHBondContact O-N 3.29Å; I608-Q612 WeakPolarHBondContact O-CG 3.47Å; I608-Q612 PolarHBondContact O-N 2.82Å; I608-N725 WeakPolarHBondContact CG1-ND2 3.2Å; I608-N725 PolarHBondContact N-ND2 3.39Å; I608-L729 HydrophobicContact CD1-CD2 4.21Å |
| 609 | H | 90.6 | Very high | 90.8 | Very high | 42 Ų | 42 | 20.3 Ų | 20.3 | 19% | 0.194 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 177.4 | -173.6 | 63.7 | 0 | 0 | 0 | 111.9 | A605 F606 M607 F611 Q612 N613 E788 | A605-H609 PolarHBondContact O-N 2.89Å; A605-H609 VanDerWaalsContact O-N 3.14Å; F606-H609 WeakPolarHBondContact O-CB 3.48Å; F606-H609 PolarHBondContact O-N 3.04Å; F606-H609 VanDerWaalsContact O-N 3.15Å; M607-H609 VanDerWaalsContact C-N 3.34Å; H609-F611 VanDerWaalsContact C-N 3.34Å; H609-F611 PolarHBondContact O-N 3.07Å; H609-Q612 WeakPolarHBondContact O-CB 3.02Å; H609-Q612 PolarHBondContact O-N 3.5Å; H609-Q612 VanDerWaalsContact O-N 3.13Å; H609-N613 PolarHBondContact CD2-ND2 2.99Å; H609-N613 PolarHBondContact CE1-OD1 3.36Å; H609-N613 PolarHBondContact NE2-ND2 3.37Å; H609-N613 PolarHBondContact O-N 3.3Å; H609-E788 IonicContact CD2-OE1 3.98Å; H609-E788 IonicContact CE1-OE1 2.65Å; H609-E788 IonicContact CG-OE1 3.75Å; H609-E788 IonicContact ND1-OE1 3.17Å; H609-E788 IonicContact NE2-OE1 3.88Å |
| 610 | L | 94.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.1 | -48.4 | 174.5 | 177.4 | 65 | 0 | 0 | 0 | 111.9 | Y579 A582 W583 F606 M607 Q612 N613 L614 L786 | Y579-L610 HydrophobicContact CD1-CD1 3.77Å; Y579-L610 HydrophobicContact CG-CD1 4.14Å; A582-L610 HydrophobicContact CB-CD1 4.36Å; W583-L610 HydrophobicContact CB-CD2 3.75Å; W583-L610 HydrophobicContact CG-CD2 4.32Å; F606-L610 PolarHBondContact O-N 3.34Å; M607-L610 PolarHBondContact O-N 3.47Å; L610-Q612 PolarHBondContact O-N 2.96Å; L610-N613 PolarHBondContact O-N 3.03Å; L610-L614 WeakPolarHBondContact O-CB 3.42Å; L610-L614 PolarHBondContact O-N 2.74Å; L610-L786 HydrophobicContact CD1-CD1 3.82Å; L610-L786 HydrophobicContact CD1-CD2 3.64Å; L610-L786 HydrophobicContact CD1-CG 4.35Å |
| 611 | F | 94.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.6 | -35.4 | 178.2 | -69.1 | -51.7 | 0 | 0 | 0 | 112.9 | W583 M607 I608 H609 A615 L718 H721 Q722 N725 | W583-F611 AromaticContact CD2-CE1 3.84Å; W583-F611 HydrophobicContact CD2-CE1 3.84Å; W583-F611 HydrophobicContact CD2-CZ 4.12Å; W583-F611 AromaticContact CE2-CE1 3.61Å; W583-F611 AromaticContact CE2-CZ 3.47Å; W583-F611 VanDerWaalsContact CE2-CZ 3.47Å; W583-F611 HydrophobicContact CE3-CE1 4.2Å; W583-F611 HydrophobicContact CG-CE1 4.34Å; W583-F611 HydrophobicContact CG-CZ 4.47Å; W583-F611 HydrophobicContact CH2-CE1 4.17Å; W583-F611 HydrophobicContact CH2-CZ 4.47Å; W583-F611 AromaticContact CZ2-CE1 3.78Å; W583-F611 HydrophobicContact CZ2-CE1 3.78Å; W583-F611 AromaticContact CZ2-CZ 3.67Å; W583-F611 HydrophobicContact CZ2-CZ 3.67Å; W583-F611 HydrophobicContact CZ3-CE1 4.36Å; W583-F611 AromaticContact NE1-CE1 3.99Å; W583-F611 AromaticContact NE1-CZ 3.48Å; M607-F611 HydrophobicContact CB-CE2 4.3Å; M607-F611 WeakPolarHBondContact O-CD2 3.39Å; M607-F611 WeakPolarHBondContact O-CG 3.4Å; M607-F611 PolarHBondContact O-N 3.32Å; I608-F611 PolarHBondContact O-N 3.29Å; H609-F611 VanDerWaalsContact C-N 3.34Å; H609-F611 PolarHBondContact O-N 3.07Å; F611-A615 WeakPolarHBondContact O-CB 3.44Å; F611-A615 PolarHBondContact O-N 3.28Å; F611-L718 HydrophobicContact CD1-CD2 4.37Å; F611-L718 HydrophobicContact CE1-CD2 4.41Å; F611-H721 HydrophobicContact CE1-CB 4.1Å; F611-H721 HydrophobicContact CE2-CB 4.05Å; F611-H721 HydrophobicContact CZ-CB 3.63Å; F611-Q722 HydrophobicContact CB-CB 4.18Å; F611-Q722 HydrophobicContact CB-CG 4.24Å; F611-Q722 HydrophobicContact CD2-CB 4.3Å; F611-Q722 HydrophobicContact CG-CB 4.4Å; F611-N725 HydrophobicContact CE2-CB 4.4Å |
| 612 | Q | 90.6 | Very high | 89.1 | Confident | 61 Ų | 61 | 22.2 Ų | 22.2 | 29% | 0.285 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.3 | -73.6 | 170.4 | -18.3 | 0 | 0 | 111.3 | I608 H609 L610 A615 S616 N691 | I608-Q612 WeakPolarHBondContact O-CG 3.47Å; I608-Q612 PolarHBondContact O-N 2.82Å; H609-Q612 WeakPolarHBondContact O-CB 3.02Å; H609-Q612 PolarHBondContact O-N 3.5Å; H609-Q612 VanDerWaalsContact O-N 3.13Å; L610-Q612 PolarHBondContact O-N 2.96Å; Q612-A615 PolarHBondContact O-N 3.21Å; Q612-S616 WeakPolarHBondContact O-CB 3.04Å; Q612-S616 PolarHBondContact O-N 3.44Å; Q612-N691 PolarHBondContact NE2-O 3.28Å; Q612-N691 VanDerWaalsContact NE2-O 3.16Å |
| 613 | N | 92.9 | Very high | 87.9 | Confident | 37 Ų | 37 | 23.8 Ų | 23.8 | 20% | 0.198 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -45.8 | 179.4 | -67.5 | -8.2 | 0 | 0 | 0 | 111.5 | Y579 H609 L610 A615 S616 L617 | Y579-N613 HydrophobicContact CE1-CB 4.4Å; Y579-N613 HydrophobicContact CE2-CB 4.17Å; H609-N613 PolarHBondContact CD2-ND2 2.99Å; H609-N613 PolarHBondContact CE1-OD1 3.36Å; H609-N613 PolarHBondContact NE2-ND2 3.37Å; H609-N613 PolarHBondContact O-N 3.3Å; L610-N613 PolarHBondContact O-N 3.03Å; N613-A615 VanDerWaalsContact C-N 3.33Å; N613-A615 PolarHBondContact O-N 3.21Å; N613-S616 PolarHBondContact O-N 3.15Å; N613-L617 WeakPolarHBondContact O-CB 2.97Å; N613-L617 PolarHBondContact O-N 3.12Å |
| 614 | L | 92.2 | Very high | 86.3 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 176.5 | 177.4 | 58.7 | 0 | 0 | 0 | 111.7 | Y576 Y579 Y580 L610 L617 I618 L718 | Y576-L614 HydrophobicContact CD2-CD1 4.16Å; Y579-L614 HydrophobicContact CD2-CB 3.95Å; Y579-L614 HydrophobicContact CD2-CD1 3.89Å; Y579-L614 HydrophobicContact CG-CB 4.43Å; Y579-L614 HydrophobicContact CG-CD1 4.48Å; Y580-L614 HydrophobicContact CD2-CD1 4.49Å; Y580-L614 HydrophobicContact CE2-CD1 4.15Å; Y580-L614 HydrophobicContact CE2-CD2 4.09Å; L610-L614 WeakPolarHBondContact O-CB 3.42Å; L610-L614 PolarHBondContact O-N 2.74Å; L614-L617 WeakPolarHBondContact O-CB 3.46Å; L614-L617 PolarHBondContact O-N 3.31Å; L614-I618 HydrophobicContact CD1-CD1 4.15Å; L614-I618 HydrophobicContact CD1-CG1 4.45Å; L614-I618 HydrophobicContact CG-CD1 4.17Å; L614-I618 WeakPolarHBondContact O-CG1 3.33Å; L614-I618 PolarHBondContact O-N 2.85Å; L614-L718 HydrophobicContact CD2-CD1 3.77Å; L614-L718 HydrophobicContact CD2-CD2 3.58Å; L614-L718 HydrophobicContact CD2-CG 4.33Å; L614-L718 HydrophobicContact CG-CD1 3.93Å |
| 615 | A | 88 | Confident | 84.3 | Confident | 9 Ų | 9 | 29 Ų | 29 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.1 | -28.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F611 Q612 N613 K619 F695 | F611-A615 WeakPolarHBondContact O-CB 3.44Å; F611-A615 PolarHBondContact O-N 3.28Å; Q612-A615 PolarHBondContact O-N 3.21Å; N613-A615 VanDerWaalsContact C-N 3.33Å; N613-A615 PolarHBondContact O-N 3.21Å; A615-K619 WeakPolarHBondContact O-CB 3.37Å; A615-K619 PolarHBondContact O-N 3.32Å; A615-K619 VanDerWaalsContact O-N 3.07Å; A615-F695 HydrophobicContact CB-CE1 3.76Å; A615-F695 HydrophobicContact CB-CE2 3.58Å; A615-F695 HydrophobicContact CB-CZ 3.06Å |
| 616 | S | 88.5 | Confident | 81.9 | Confident | 76 Ų | 76 | 33.9 Ų | 33.9 | 53% | 0.531 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 167.8 | -173 | 0 | 0 | 0 | 0 | 112 | Q612 N613 K619 S620 | Q612-S616 WeakPolarHBondContact O-CB 3.04Å; Q612-S616 PolarHBondContact O-N 3.44Å; N613-S616 PolarHBondContact O-N 3.15Å; S616-K619 WeakPolarHBondContact O-CB 3.1Å; S616-K619 PolarHBondContact O-N 3.23Å; S616-S620 PolarHBondContact O-N 2.94Å |
| 617 | L | 91.3 | Very high | 79.2 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -44.8 | 176.9 | 178.7 | 67.2 | 0 | 0 | 0 | 111.8 | C572 T575 Y579 N613 L614 K619 S620 L621 | C572-L617 HydrophobicContact CB-CD1 4Å; T575-L617 HydrophobicContact CG2-CD2 3.94Å; Y579-L617 HydrophobicContact CD2-CD2 3.93Å; Y579-L617 HydrophobicContact CE2-CB 4.28Å; Y579-L617 HydrophobicContact CE2-CD2 3.82Å; N613-L617 WeakPolarHBondContact O-CB 2.97Å; N613-L617 PolarHBondContact O-N 3.12Å; L614-L617 WeakPolarHBondContact O-CB 3.46Å; L614-L617 PolarHBondContact O-N 3.31Å; L617-K619 VanDerWaalsContact C-N 3.27Å; L617-K619 PolarHBondContact O-N 3.48Å; L617-S620 PolarHBondContact O-N 2.76Å; L617-S620 PolarHBondContact O-OG 2.97Å; L617-L621 HydrophobicContact CG-CD1 4.43Å; L617-L621 WeakPolarHBondContact O-CG 3.31Å; L617-L621 PolarHBondContact O-N 3.1Å |
| 618 | I | 86.3 | Confident | 76.4 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 175.7 | -71.3 | 168 | 0 | 0 | 0 | 110.6 | L614 L621 S622 G710 V715 L718 | L614-I618 HydrophobicContact CD1-CD1 4.15Å; L614-I618 HydrophobicContact CD1-CG1 4.45Å; L614-I618 HydrophobicContact CG-CD1 4.17Å; L614-I618 WeakPolarHBondContact O-CG1 3.33Å; L614-I618 PolarHBondContact O-N 2.85Å; I618-L621 PolarHBondContact O-N 3.22Å; I618-S622 PolarHBondContact O-N 2.9Å; I618-G710 VanDerWaalsContact CG2-CA 3.47Å; I618-V715 HydrophobicContact CG2-CG2 3.71Å; I618-L718 HydrophobicContact CD1-CD1 3.3Å |
| 619 | K | 82.4 | Confident | 73.5 | Confident | 118 Ų | 118 | 44.6 Ų | 44.6 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 176.2 | -172.6 | 178.3 | 179.6 | 179.1 | 0 | 112 | A615 S616 L617 S622 G623 | A615-K619 WeakPolarHBondContact O-CB 3.37Å; A615-K619 PolarHBondContact O-N 3.32Å; A615-K619 VanDerWaalsContact O-N 3.07Å; S616-K619 WeakPolarHBondContact O-CB 3.1Å; S616-K619 PolarHBondContact O-N 3.23Å; L617-K619 VanDerWaalsContact C-N 3.27Å; L617-K619 PolarHBondContact O-N 3.48Å; K619-S622 PolarHBondContact O-N 2.92Å; K619-S622 PolarHBondContact O-OG 2.89Å; K619-G623 PolarHBondContact O-N 3.08Å |
| 620 | S | 83.2 | Confident | 70.6 | Confident | 51 Ų | 51 | 47 Ų | 47 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 177.3 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | S616 L617 S622 G623 N624 | S616-S620 PolarHBondContact O-N 2.94Å; L617-S620 PolarHBondContact O-N 2.76Å; L617-S620 PolarHBondContact O-OG 2.97Å; S620-S622 PolarHBondContact O-N 3.27Å; S620-G623 PolarHBondContact O-N 2.89Å; S620-G623 VanDerWaalsContact O-N 3.08Å; S620-N624 PolarHBondContact O-N 3.48Å; S620-N624 PolarHBondContact O-OD1 3.06Å |
| 621 | L | 79.1 | Confident | 67.3 | Low | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.4 | -42.2 | 174.1 | -73.7 | 170.9 | 0 | 0 | 0 | 111.3 | L463 N569 C572 L617 I618 G623 N624 S625 I709 | L463-L621 HydrophobicContact CD1-CD2 4.34Å; L463-L621 HydrophobicContact CD2-CD1 4.37Å; L463-L621 HydrophobicContact CD2-CD2 4.47Å; N569-L621 HydrophobicContact CB-CD2 3.92Å; C572-L621 HydrophobicContact CB-CD2 3.71Å; C572-L621 HydrophobicContact CB-CG 4.39Å; L617-L621 HydrophobicContact CG-CD1 4.43Å; L617-L621 WeakPolarHBondContact O-CG 3.31Å; L617-L621 PolarHBondContact O-N 3.1Å; I618-L621 PolarHBondContact O-N 3.22Å; L621-G623 VanDerWaalsContact C-N 3.35Å; L621-G623 PolarHBondContact O-N 3.39Å; L621-N624 PolarHBondContact O-N 3.46Å; L621-S625 PolarHBondContact O-N 3.09Å; L621-S625 PolarHBondContact O-OG 2.97Å; L621-I709 HydrophobicContact CD1-CG2 4.42Å |
| 622 | S | 68.6 | Low | 64.1 | Low | 11 Ų | 11 | 59.3 Ų | 59.3 | 8% | 0.077 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.9 | -33.2 | 177.8 | 78.6 | 0 | 0 | 0 | 0 | 114.8 | I618 K619 S620 N624 | I618-S622 PolarHBondContact O-N 2.9Å; K619-S622 PolarHBondContact O-N 2.92Å; K619-S622 PolarHBondContact O-OG 2.89Å; S620-S622 PolarHBondContact O-N 3.27Å; S622-N624 VanDerWaalsContact C-N 3.33Å |
| 623 | G | 63.8 | Low | 60.9 | Low | 33 Ų | 33 | 68.1 Ų | 68.1 | 34% | 0.34 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.7 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K619 S620 L621 V627 | K619-G623 PolarHBondContact O-N 3.08Å; S620-G623 PolarHBondContact O-N 2.89Å; S620-G623 VanDerWaalsContact O-N 3.08Å; L621-G623 VanDerWaalsContact C-N 3.35Å; L621-G623 PolarHBondContact O-N 3.39Å; G623-V627 WeakPolarHBondContact O-CG2 3.49Å |
| 624 | N | 60.7 | Low | 57.6 | Low | 39 Ų | 39 | 72.5 Ų | 72.5 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -70.4 | -38.6 | -177 | -60.9 | -14.5 | 0 | 0 | 0 | 112 | Q567 N569 S620 L621 S622 I626 V627 | Q567-N624 PolarHBondContact NE2-ND2 3.27Å; N569-N624 PolarHBondContact OD1-ND2 2.91Å; N569-N624 VanDerWaalsContact OD1-ND2 3.13Å; S620-N624 PolarHBondContact O-N 3.48Å; S620-N624 PolarHBondContact O-OD1 3.06Å; L621-N624 PolarHBondContact O-N 3.46Å; S622-N624 VanDerWaalsContact C-N 3.33Å; N624-I626 VanDerWaalsContact C-N 3.29Å; N624-I626 PolarHBondContact O-N 2.85Å; N624-V627 PolarHBondContact O-N 3.26Å |
| 625 | S | 52.4 | Low | 54.3 | Low | 70 Ų | 70 | 78.4 Ų | 78.4 | 49% | 0.49 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.5 | -26.5 | 179.8 | -50.9 | 0 | 0 | 0 | 0 | 113.9 | L621 | L621-S625 PolarHBondContact O-N 3.09Å; L621-S625 PolarHBondContact O-OG 2.97Å |
| 626 | I | 41.7 | Very low | 51.4 | Low | 109 Ų | 109 | 86.6 Ų | 86.6 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -81.8 | -32.7 | -177.9 | -62.5 | 170.1 | 0 | 0 | 0 | 111.6 | N624 G629 | N624-I626 VanDerWaalsContact C-N 3.29Å; N624-I626 PolarHBondContact O-N 2.85Å; I626-G629 PolarHBondContact O-N 2.78Å |
| 627 | V | 36.5 | Very low | 48.3 | Very low | 102 Ų | 102 | 90.8 Ų | 90.8 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.9 | -31.8 | -175.4 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | G623 N624 G629 S630 | G623-V627 WeakPolarHBondContact O-CG2 3.49Å; N624-V627 PolarHBondContact O-N 3.26Å; V627-G629 VanDerWaalsContact C-N 3.25Å; V627-G629 PolarHBondContact O-N 2.94Å; V627-S630 PolarHBondContact O-OG 3.18Å |
| 628 | S | 35.2 | Very low | 45.1 | Very low | 75 Ų | 75 | 97 Ų | 97 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | -10.2 | 177 | -59.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 629 | G | 31.7 | Very low | 42.4 | Very low | 68 Ų | 68 | 106.2 Ų | 106.2 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -9.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I626 V627 | I626-G629 PolarHBondContact O-N 2.78Å; V627-G629 VanDerWaalsContact C-N 3.25Å; V627-G629 PolarHBondContact O-N 2.94Å |
| 630 | S | 28.4 | Very low | 39.8 | Very low | 93 Ų | 93 | 105.8 Ų | 105.8 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -99.7 | -3.4 | -172 | 53.1 | 0 | 0 | 0 | 0 | 116.1 | V627 G632 | V627-S630 PolarHBondContact O-OG 3.18Å; S630-G632 PolarHBondContact O-N 3.05Å |
| 631 | E | 25.5 | Very low | 37 | Very low | 193 Ų | 193 | 107.4 Ų | 107.4 | 90% | 0.902 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -97.4 | 68.1 | 175.5 | -67 | -169.7 | 166.6 | 0 | 0 | 110.8 | ||
| 632 | G | 26.7 | Very low | 34.4 | Very low | 68 Ų | 68 | 114.3 Ų | 114.3 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 173.7 | 42 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S630 | S630-G632 PolarHBondContact O-N 3.05Š|
| 633 | R | 24.3 | Very low | 32.6 | Very low | 245 Ų | 245 | 119.1 Ų | 119.1 | 93% | 0.925 | 70% | 0.7 | S | S | * | * | trans | -151.4 | 73.8 | 164.6 | -128.6 | 174.4 | -176.7 | -177.4 | 0.2 | 111.7 | ||||
| 634 | T | 22.4 | Very low | 30.9 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -71.3 | 123.1 | 156.1 | 38.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 635 | T | 23.5 | Very low | 29.1 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 49.8 | 103.9 | 148.3 | 51.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 636 | L | 27.5 | Very low | 28 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 95% | 0.948 | 77% | 0.774 | S | S | * | * | trans | -144.3 | 104.2 | 130.6 | -97.8 | 165.2 | 0 | 0 | 0 | 107.6 | ||||
| 637 | E | 23.7 | Very low | 27.4 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -71.8 | 158.9 | 164.7 | -70.2 | -179.7 | 149.1 | 0 | 0 | 110.3 | ||||
| 638 | N | 23.4 | Very low | 26.9 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 85.8 | 101 | 165.8 | -53.4 | -30.7 | 0 | 0 | 0 | 116.5 | ||||
| 639 | E | 29.1 | Very low | 26.6 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | -162.7 | 159.6 | 102.8 | -101.2 | 178 | -171.1 | 0 | 0 | 111.7 | |||||
| 640 | S | 28.1 | Very low | 26.5 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -90.9 | 155.6 | -147.8 | 47.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 641 | A | 24.4 | Very low | 26.6 | Very low | 86 Ų | 86 | 153.5 Ų | 153.5 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | 31.1 | 145.2 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 642 | D | 24.4 | Very low | 26.6 | Very low | 156 Ų | 156 | 153.4 Ų | 153.4 | 83% | 0.834 | 83% | 0.83 | S | S | * | * | trans | 86.9 | 100.6 | 156.6 | -68 | -21.3 | 0 | 0 | 0 | 120.1 | ||||
| 643 | S | 31.6 | Very low | 26.6 | Very low | 112 Ų | 112 | 155.7 Ų | 155.7 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | 166.5 | 108.2 | 115.8 | 46.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 644 | K | 27.2 | Very low | 26.6 | Very low | 213 Ų | 213 | 150.7 Ų | 150.7 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | 53.9 | 100.4 | 104.1 | -73.7 | -175.4 | -180 | 174.4 | 0 | 115.6 | |||||
| 645 | G | 23.7 | Very low | 27 | Very low | 69 Ų | 69 | 150.5 Ų | 150.5 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | 85.5 | 106.6 | 118.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 646 | L | 30 | Very low | 27.4 | Very low | 184 Ų | 184 | 150.7 Ų | 150.7 | 96% | 0.963 | 83% | 0.83 | S | S | * | * | trans | -148 | 127.8 | 134.5 | -112.2 | 126.9 | 0 | 0 | 0 | 110.9 | ||||
| 647 | N | 28.2 | Very low | 27.4 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | -74.1 | 152.3 | -167.8 | -83.1 | -39.8 | 0 | 0 | 0 | 113.6 | ||||
| 648 | K | 26.4 | Very low | 27.7 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -60.4 | 141.7 | 154.9 | -77 | 172 | 170 | 175.8 | 0 | 111.3 | ||||
| 649 | Q | 28.7 | Very low | 27.8 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -128.3 | 109.2 | 139.6 | -97.7 | -176.9 | -6.5 | 0 | 0 | 107.8 | ||||
| 650 | V | 29.5 | Very low | 27.8 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -123.7 | 127.1 | 157.3 | 169.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 651 | D | 30.6 | Very low | 27.7 | Very low | 157 Ų | 157 | 149 Ų | 149 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -65.7 | 149.8 | -177.3 | -86 | -45.2 | 0 | 0 | 0 | 113.5 | ||||
| 652 | K | 25.2 | Very low | 27.8 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -64.9 | 142.4 | -177.4 | -68.5 | 164.3 | 168.7 | 173.9 | 0 | 112.9 | ||||
| 653 | C | 26.7 | Very low | 27.7 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | -160.7 | 104.1 | 121.8 | -150 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 654 | D | 25.6 | Very low | 27.5 | Very low | 141 Ų | 141 | 152 Ų | 152 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | 44.8 | 106.5 | 137.9 | -52.1 | -22.4 | 0 | 0 | 0 | 121 | ||||
| 655 | S | 30.8 | Very low | 27.6 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -144 | 141.1 | 133.8 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 656 | V | 30.1 | Very low | 27.8 | Very low | 130 Ų | 130 | 156.8 Ų | 156.8 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | trans | -90.7 | 127.9 | -160.9 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 657 | N | 28.2 | Very low | 27.6 | Very low | 162 Ų | 162 | 157.9 Ų | 157.9 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | 38.2 | 134.3 | 144.6 | -66.4 | -21.3 | 0 | 0 | 0 | 124.2 | ||||
| 658 | G | 29.1 | Very low | 27.5 | Very low | 67 Ų | 67 | 159 Ų | 159 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | 120.3 | 94 | 148.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 659 | V | 26.8 | Very low | 27.4 | Very low | 133 Ų | 133 | 158.1 Ų | 158.1 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | 52 | 110 | 55.5 | -164.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 660 | E | 29 | Very low | 27.3 | Very low | 172 Ų | 172 | 157.4 Ų | 157.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | -155.4 | 138.9 | 55.9 | -73.3 | 179.7 | 140 | 0 | 0 | 110.2 | |||||
| 661 | R | 26.4 | Very low | 27.1 | Very low | 227 Ų | 227 | 159 Ų | 159 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | 47.1 | 137.9 | 86.6 | -73.7 | -176.8 | 178.2 | 176.8 | 2.1 | 113.2 | |||||
| 662 | L | 25.4 | Very low | 26.9 | Very low | 137 Ų | 137 | 159.5 Ų | 159.5 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | cis | -172.3 | 158.9 | 1 | -123.3 | 154.5 | 0 | 0 | 0 | 105.8 | ||||
| 663 | D | 23.1 | Very low | 27.1 | Very low | 133 Ų | 133 | 156.4 Ų | 156.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -13.7 | 136.4 | 168.9 | -76.3 | -52.5 | 0 | 0 | 0 | 120 | ||||
| 664 | N | 27.8 | Very low | 27.1 | Very low | 147 Ų | 147 | 161 Ų | 161 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | -169.4 | 140.6 | 113.4 | -107.3 | -42.5 | 0 | 0 | 0 | 116.4 | |||||
| 665 | R | 28.4 | Very low | 27.1 | Very low | 221 Ų | 221 | 162.4 Ų | 162.4 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 86.5 | 90.6 | 148.5 | -68.3 | 173.6 | -179.1 | -170.9 | 0 | 121.1 | ||||
| 666 | Q | 27.2 | Very low | 26.9 | Very low | 163 Ų | 163 | 165.5 Ų | 165.5 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 32.6 | 130.2 | 117.6 | -78.2 | -165.2 | 13 | 0 | 0 | 122.6 | |||||
| 667 | R | 27.2 | Very low | 26.6 | Very low | 207 Ų | 207 | 165 Ų | 165 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 97.9 | 103.5 | 134.1 | -78.5 | 173.9 | -179.5 | -162.7 | 0.1 | 120.6 | ||||
| 668 | K | 24.8 | Very low | 26.3 | Very low | 184 Ų | 184 | 164.6 Ų | 164.6 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | 55.6 | 110.1 | 119.6 | -79.2 | -176.5 | 178.9 | 175.5 | 0 | 120 | |||||
| 669 | K | 25.9 | Very low | 26.2 | Very low | 177 Ų | 177 | 167.7 Ų | 167.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | 138.5 | 125.4 | 109.4 | -92 | 174.6 | 178.4 | 176.7 | 0 | 115.9 | |||||
| 670 | K | 25.9 | Very low | 26 | Very low | 179 Ų | 179 | 166.5 Ų | 166.5 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | trans | 72.2 | 109.6 | 133.8 | -76.7 | -176 | 174.6 | -177.7 | 0 | 122.8 | ||||
| 671 | K | 25.7 | Very low | 25.9 | Very low | 172 Ų | 172 | 163.6 Ų | 163.6 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 74.3 | 123.8 | 117.1 | -89.7 | -175.9 | 173.3 | 175 | 0 | 123.4 | |||||
| 672 | K | 26.3 | Very low | 25.9 | Very low | 166 Ų | 166 | 158.6 Ų | 158.6 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 78.4 | 140.7 | 137.9 | -74.6 | 179.6 | 163.4 | -163.1 | 0 | 117.3 | ||||
| 673 | H | 29.1 | Very low | 25.8 | Very low | 127 Ų | 127 | 161.1 Ų | 161.1 | 59% | 0.588 | 78% | 0.775 | S | S | * | * | cis | -169.1 | 148.1 | 14.2 | -136.1 | -63.5 | 0 | 0 | 0 | 112 | ||||
| 674 | R | 25.6 | Very low | 25.9 | Very low | 212 Ų | 212 | 161.5 Ų | 161.5 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 54 | 138.6 | 145.6 | -93 | 174.1 | -177.4 | 177.4 | -3.6 | 120.8 | ||||
| 675 | E | 27.5 | Very low | 25.7 | Very low | 170 Ų | 170 | 163.8 Ų | 163.8 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | cis | -153.9 | 132.4 | 44.8 | -71.8 | -172.7 | 127.7 | 0 | 0 | 113.9 | ||||
| 676 | K | 24.8 | Very low | 25.5 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | 58.9 | 106.7 | 115.7 | -75.6 | -175.3 | 173.3 | 178.9 | 0 | 120.6 | |||||
| 677 | C | 24.5 | Very low | 25.4 | Very low | 120 Ų | 120 | 157 Ų | 157 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | -171.1 | 126 | 104.4 | -98.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 678 | N | 21.8 | Very low | 25.3 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 22.4 | 125.4 | 152.9 | -60.4 | -13.1 | 0 | 0 | 0 | 122.4 | ||||
| 679 | V | 27 | Very low | 25.4 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | -175.9 | 126.4 | 113.2 | 155.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 680 | S | 23.3 | Very low | 25.5 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 28.2 | 120.7 | 160.1 | 66.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 681 | S | 27.1 | Very low | 25.8 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | -169.1 | 127.2 | 112.3 | 50 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 682 | V | 25.1 | Very low | 26.2 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | -73 | 119.8 | 171.7 | 169.8 | 0 | 0 | 0 | 0 | 107.5 | N684 | V682-N684 VanDerWaalsContact C-N 3.3Å; V682-N684 PolarHBondContact O-N 2.86Å | ||
| 683 | H | 24 | Very low | 26.5 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 88% | 0.884 | 70% | 0.698 | S | S | * | * | trans | -72.5 | 91.3 | 162.9 | -97.3 | 4.1 | 0 | 0 | 0 | 108.6 | ||||
| 684 | N | 24.6 | Very low | 26.8 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | -66.3 | 132.4 | 161.4 | -90.9 | -17.3 | 0 | 0 | 0 | 109.3 | V682 S686 | V682-N684 VanDerWaalsContact C-N 3.3Å; V682-N684 PolarHBondContact O-N 2.86Å; N684-S686 PolarHBondContact O-N 2.72Å | ||
| 685 | K | 24.6 | Very low | 27.5 | Very low | 195 Ų | 195 | 125.1 Ų | 125.1 | 85% | 0.848 | 68% | 0.679 | S | S | * | * | trans | -49.9 | 105.5 | 163 | -79.3 | 171.4 | 170.6 | 176 | 0 | 109.5 | I687 | K685-I687 VanDerWaalsContact C-N 3.32Å; K685-I687 PolarHBondContact O-N 3.36Å; K685-I687 VanDerWaalsContact O-N 3.14Å | ||
| 686 | S | 23.1 | Very low | 27.8 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 67% | 0.668 | S | S | * | * | trans | -77.5 | 85.4 | 162 | 52.3 | 0 | 0 | 0 | 0 | 108.5 | N684 E688 | N684-S686 PolarHBondContact O-N 2.72Å; S686-E688 PolarHBondContact O-N 3.11Å | ||
| 687 | I | 25.5 | Very low | 28.4 | Very low | 147 Ų | 147 | 116 Ų | 116 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | trans | -78.7 | 80.8 | 151.1 | -62.2 | 174.4 | 0 | 0 | 0 | 104.3 | K685 | K685-I687 VanDerWaalsContact C-N 3.32Å; K685-I687 PolarHBondContact O-N 3.36Å; K685-I687 VanDerWaalsContact O-N 3.14Å | ||
| 688 | E | 25 | Very low | 28.9 | Very low | 163 Ų | 163 | 117.3 Ų | 117.3 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | trans | -80 | 126.4 | 174.7 | -89.9 | -179.5 | 164.9 | 0 | 0 | 109.4 | S686 S690 | S686-E688 PolarHBondContact O-N 3.11Å; E688-S690 PolarHBondContact O-N 3.39Å; E688-S690 VanDerWaalsContact O-N 3.1Å | ||
| 689 | I | 27.9 | Very low | 29.8 | Very low | 93 Ų | 93 | 113.1 Ų | 113.1 | 48% | 0.477 | 63% | 0.633 | S | S | . | * | trans | -67.2 | 101.1 | 176.8 | -64.1 | 109.5 | 0 | 0 | 0 | 109.2 | I692 I807 | I689-I692 HydrophobicContact CG2-CD1 4.34Å; I689-I692 HydrophobicContact CG2-CG1 4.18Å; I689-I807 HydrophobicContact CB-CD1 3.9Å; I689-I807 HydrophobicContact CD1-CD1 3.36Å; I689-I807 HydrophobicContact CD1-CG1 3.65Å; I689-I807 HydrophobicContact CG1-CD1 3.58Å; I689-I807 HydrophobicContact CG1-CG1 4.41Å; I689-I807 HydrophobicContact CG2-CD1 3.73Å | ||
| 690 | S | 26.9 | Very low | 30.5 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | trans | -94.6 | 6.8 | 170.6 | 49.9 | 0 | 0 | 0 | 0 | 113.9 | E688 | E688-S690 PolarHBondContact O-N 3.39Å; E688-S690 VanDerWaalsContact O-N 3.1Å | ||
| 691 | N | 31.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 65% | 0.647 | 62% | 0.622 | S | S | * | * | trans | -111.2 | 7.6 | -167.5 | -71.7 | -8.6 | 0 | 0 | 0 | 116.2 | Q612 | Q612-N691 PolarHBondContact NE2-O 3.28Å; Q612-N691 VanDerWaalsContact NE2-O 3.16Å | ||
| 692 | I | 34.8 | Very low | 32.8 | Very low | 69 Ų | 69 | 110.9 Ų | 110.9 | 35% | 0.354 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -97.8 | 96.7 | 166.3 | -57.9 | 177.7 | 0 | 0 | 0 | 107.6 | I689 I807 | I689-I692 HydrophobicContact CG2-CD1 4.34Å; I689-I692 HydrophobicContact CG2-CG1 4.18Å; I692-I807 HydrophobicContact CD1-CD1 4.24Å |
| 693 | A | 33.4 | Very low | 34.2 | Very low | 20 Ų | 20 | 105.4 Ų | 105.4 | 17% | 0.165 | 56% | 0.563 | C | S | . | * | trans | 56.3 | 83.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y723 | A693-Y723 HydrophobicContact CB-CE1 4.35Å; A693-Y723 HydrophobicContact CB-CE2 3.92Å; A693-Y723 VanDerWaalsContact CB-OH 3.24Å; A693-Y723 WeakPolarHBondContact CB-OH 3.44Å | ||
| 694 | N | 34 | Very low | 35.6 | Very low | 133 Ų | 133 | 99.7 Ų | 99.7 | 71% | 0.711 | 54% | 0.542 | S | S | * | . | trans | -117.7 | 63 | 156.1 | -133.4 | -0 | 0 | 0 | 0 | 110.1 | ||||
| 695 | F | 40.7 | Very low | 37.5 | Very low | 64 Ų | 64 | 94.9 Ų | 94.9 | 28% | 0.281 | 52% | 0.516 | S | S | . | . | trans | -81.1 | 1.9 | 164.1 | -87.1 | -77.1 | 0 | 0 | 0 | 112.6 | A615 S697 V715 | A615-F695 HydrophobicContact CB-CE1 3.76Å; A615-F695 HydrophobicContact CB-CE2 3.58Å; A615-F695 HydrophobicContact CB-CZ 3.06Å; F695-S697 VanDerWaalsContact C-N 3.32Å; F695-S697 PolarHBondContact O-N 3.09Å; F695-V715 HydrophobicContact CD1-CG1 4.16Å | ||
| 696 | N | 34.1 | Very low | 39.7 | Very low | 108 Ų | 108 | 85.8 Ų | 85.8 | 58% | 0.578 | 48% | 0.476 | S | S | * | . | trans | -87.1 | 15.3 | 179.8 | -78.4 | -17.4 | 0 | 0 | 0 | 114.6 | V698 | N696-V698 PolarHBondContact O-N 3.42Å; N696-V698 VanDerWaalsContact O-N 3.17Å | ||
| 697 | S | 36.7 | Very low | 41.8 | Very low | 61 Ų | 61 | 82.2 Ų | 82.2 | 43% | 0.427 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -66.3 | 116 | 153.6 | 65.1 | 0 | 0 | 0 | 0 | 105.8 | F695 V699 | F695-S697 VanDerWaalsContact C-N 3.32Å; F695-S697 PolarHBondContact O-N 3.09Å; S697-V699 WeakPolarHBondContact O-CG2 3.21Å; S697-V699 PolarHBondContact O-N 2.94Å |
| 698 | V | 34.9 | Very low | 44.2 | Very low | 146 Ų | 146 | 78.5 Ų | 78.5 | 89% | 0.885 | 43% | 0.429 | S | S | * | . | trans | -51.8 | 91.1 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | N696 K700 | N696-V698 PolarHBondContact O-N 3.42Å; N696-V698 VanDerWaalsContact O-N 3.17Å; V698-K700 PolarHBondContact O-N 3.45Å | ||
| 699 | V | 40.6 | Very low | 46.7 | Very low | 64 Ų | 64 | 71.5 Ų | 71.5 | 39% | 0.388 | 40% | 0.397 | S | S | . | . | trans | -75.8 | 116.9 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 104.9 | S697 I702 | S697-V699 WeakPolarHBondContact O-CG2 3.21Å; S697-V699 PolarHBondContact O-N 2.94Å; V699-I702 HydrophobicContact CG1-CD1 3.87Å; V699-I702 HydrophobicContact CG1-CG1 3.8Å | ||
| 700 | K | 42.4 | Very low | 49.1 | Very low | 170 Ų | 170 | 67.3 Ų | 67.3 | 74% | 0.739 | 38% | 0.376 | S | S | * | . | trans | -48.8 | 141.7 | 170 | -77.8 | 179 | 174.9 | 178.9 | 0 | 108.4 | V698 I702 | V698-K700 PolarHBondContact O-N 3.45Å; K700-I702 PolarHBondContact O-N 3.34Å | ||
| 701 | P | 43.3 | Very low | 51.6 | Low | 92 Ų | 92 | 62.9 Ų | 62.9 | 60% | 0.597 | 35% | 0.345 | S | S | * | . | trans | -55.6 | 112.2 | -176 | 21.1 | -30.6 | 0 | 0 | 0 | 109.7 | S703 T712 | P701-S703 PolarHBondContact O-N 3.47Å; P701-T712 HydrophobicContact CB-CG2 4.08Å | ||
| 702 | I | 54.6 | Low | 54 | Low | 44 Ų | 44 | 59 Ų | 59 | 23% | 0.226 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -62.8 | -35.8 | -177.5 | -57.5 | 167.2 | 0 | 0 | 0 | 109.3 | V699 K700 G710 | V699-I702 HydrophobicContact CG1-CD1 3.87Å; V699-I702 HydrophobicContact CG1-CG1 3.8Å; K700-I702 PolarHBondContact O-N 3.34Å; I702-G710 WeakPolarHBondContact CD1-O 3.48Å |
| 703 | S | 55 | Low | 56.5 | Low | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | trans | -151.9 | 145.7 | 158.1 | 165.1 | 0 | 0 | 0 | 0 | 110 | P701 M705 E708 | P701-S703 PolarHBondContact O-N 3.47Å; S703-M705 PolarHBondContact O-N 2.98Å; S703-M705 PolarHBondContact OG-N 3.17Å; S703-E708 WeakPolarHBondContact CB-OE2 3.49Å; S703-E708 PolarHBondContact OG-OE1 3.34Å; S703-E708 PolarHBondContact OG-OE2 2.96Å | ||
| 704 | P | 54.2 | Low | 59 | Low | 70 Ų | 70 | 55 Ų | 55 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -71.2 | -10.4 | 173.5 | 30.8 | -35.5 | 0 | 0 | 0 | 113.5 | ||
| 705 | M | 64.7 | Low | 61.5 | Low | 39 Ų | 39 | 50 Ų | 50 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | trans | -94.8 | 122.4 | -174.3 | -68.8 | -59.2 | 148.6 | 0 | 0 | 111.7 | S703 H707 E708 S711 K844 | S703-M705 PolarHBondContact O-N 2.98Å; S703-M705 PolarHBondContact OG-N 3.17Å; M705-H707 PolarHBondContact O-N 3.25Å; M705-H707 VanDerWaalsContact O-N 3.1Å; M705-E708 HydrophobicContact CB-CG 4.14Å; M705-E708 PolarHBondContact O-N 3.4Å; M705-E708 VanDerWaalsContact O-N 3.07Å; M705-S711 WeakPolarHBondContact O-CB 3.46Å; M705-K844 HydrophobicContact CE-CB 4.31Å | ||
| 706 | I | 69.9 | Low | 63.8 | Low | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.6 | -178.9 | -172.4 | 154.8 | 0 | 0 | 0 | 113.2 | S711 F713 K838 T859 K861 | I706-S711 PolarHBondContact O-OG 2.89Å; I706-F713 HydrophobicContact CD1-CB 4.1Å; I706-F713 HydrophobicContact CD1-CD1 3.82Å; I706-F713 HydrophobicContact CD1-CD2 3.8Å; I706-F713 HydrophobicContact CD1-CE1 4.17Å; I706-F713 HydrophobicContact CD1-CE2 4.16Å; I706-F713 HydrophobicContact CD1-CG 3.62Å; I706-F713 HydrophobicContact CD1-CZ 4.33Å; I706-F713 HydrophobicContact CG1-CB 3.86Å; I706-F713 HydrophobicContact CG1-CD1 3.54Å; I706-F713 HydrophobicContact CG1-CD2 4.34Å; I706-F713 HydrophobicContact CG1-CE1 4.15Å; I706-F713 HydrophobicContact CG1-CG 3.65Å; I706-K838 HydrophobicContact CD1-CB 4.23Å; I706-K838 HydrophobicContact CD1-CG 4.12Å; I706-T859 HydrophobicContact CD1-CG2 4.24Å; I706-T859 HydrophobicContact CG2-CG2 4.41Å; I706-K861 VanDerWaalsContact O-CE 3.31Å; I706-K861 WeakPolarHBondContact O-CE 3.33Å; I706-K861 PolarHBondContact O-NZ 3.03Å |
| 707 | H | 68.3 | Low | 66.5 | Low | 21 Ų | 21 | 45.5 Ų | 45.5 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 1.4 | -179.1 | 69.6 | -97.1 | 0 | 0 | 0 | 114.1 | R381 M705 L845 F858 | R381-H707 WeakPolarHBondContact CD-O 3.4Å; R381-H707 PolarHBondContact NE-O 2.91Å; R381-H707 PolarHBondContact NH1-O 2.53Å; R381-H707 PolarHBondContact NH2-O 2.73Å; M705-H707 PolarHBondContact O-N 3.25Å; M705-H707 VanDerWaalsContact O-N 3.1Å; H707-L845 WeakPolarHBondContact ND1-CD1 3.46Å; H707-F858 HydrophobicContact CB-CB 4.04Å; H707-F858 HydrophobicContact CB-CD1 3.37Å; H707-F858 HydrophobicContact CB-CE1 4.17Å; H707-F858 HydrophobicContact CB-CG 4.17Å; H707-F858 AromaticContact CG-CD1 3.7Å |
| 708 | E | 73.9 | Confident | 69.1 | Low | 68 Ų | 68 | 42.9 Ų | 42.9 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -84.3 | 153.7 | 176 | -73.9 | -178.8 | -133.9 | 0 | 0 | 111.7 | S703 M705 S711 K861 | S703-E708 WeakPolarHBondContact CB-OE2 3.49Å; S703-E708 PolarHBondContact OG-OE1 3.34Å; S703-E708 PolarHBondContact OG-OE2 2.96Å; M705-E708 HydrophobicContact CB-CG 4.14Å; M705-E708 PolarHBondContact O-N 3.4Å; M705-E708 VanDerWaalsContact O-N 3.07Å; E708-S711 WeakPolarHBondContact O-CB 3.42Å; E708-S711 PolarHBondContact O-N 3.13Å; E708-S711 PolarHBondContact O-OG 3.48Å; E708-K861 PolarHBondContact O-NZ 3.36Å |
| 709 | I | 78.4 | Confident | 71.8 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 9% | 0.087 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 130.3 | 171.9 | -66.5 | 174.3 | 0 | 0 | 0 | 107.7 | L463 F573 Y576 L621 S711 | L463-I709 HydrophobicContact CD1-CD1 4.23Å; L463-I709 HydrophobicContact CD2-CB 3.86Å; L463-I709 HydrophobicContact CD2-CD1 4.15Å; L463-I709 HydrophobicContact CD2-CG2 3.92Å; L463-I709 HydrophobicContact CG-CD1 4.25Å; F573-I709 HydrophobicContact CD2-CD1 4.04Å; F573-I709 HydrophobicContact CE2-CD1 3.99Å; Y576-I709 HydrophobicContact CD2-CG2 3.96Å; Y576-I709 HydrophobicContact CE1-CD1 4.43Å; Y576-I709 HydrophobicContact CE2-CG2 3.67Å; L621-I709 HydrophobicContact CD1-CG2 4.42Å; I709-S711 VanDerWaalsContact C-N 3.26Å; I709-S711 PolarHBondContact O-N 3.03Å |
| 710 | G | 77.7 | Confident | 74.4 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 16.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | I618 I702 E714 | I618-G710 VanDerWaalsContact CG2-CA 3.47Å; I702-G710 WeakPolarHBondContact CD1-O 3.48Å; G710-E714 PolarHBondContact N-OE2 3.16Å |
| 711 | S | 80.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -52.3 | 152 | 170.3 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | M705 I706 E708 I709 F713 E714 V715 | M705-S711 WeakPolarHBondContact O-CB 3.46Å; I706-S711 PolarHBondContact O-OG 2.89Å; E708-S711 WeakPolarHBondContact O-CB 3.42Å; E708-S711 PolarHBondContact O-N 3.13Å; E708-S711 PolarHBondContact O-OG 3.48Å; I709-S711 VanDerWaalsContact C-N 3.26Å; I709-S711 PolarHBondContact O-N 3.03Å; S711-F713 PolarHBondContact O-N 3.48Å; S711-E714 WeakPolarHBondContact O-CB 3.44Å; S711-E714 PolarHBondContact O-N 3.21Å; S711-E714 WeakPolarHBondContact OG-CB 3.4Å; S711-E714 PolarHBondContact OG-N 2.93Å; S711-V715 PolarHBondContact O-N 3.35Å; S711-V715 VanDerWaalsContact O-N 3.1Å | ||
| 712 | T | 82.2 | Confident | 79.4 | Confident | 38 Ų | 38 | 21.7 Ų | 21.7 | 23% | 0.233 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.2 | -35.5 | 175.8 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | P701 H716 | P701-T712 HydrophobicContact CB-CG2 4.08Å; T712-H716 PolarHBondContact O-N 3.36Å; T712-H716 VanDerWaalsContact O-N 3.14Å; T712-H716 PolarHBondContact O-ND1 3.38Å |
| 713 | F | 85.7 | Confident | 81.3 | Confident | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.8 | -49.4 | 173.5 | 169.3 | -102.7 | 0 | 0 | 0 | 112.2 | I706 S711 V715 H716 L717 T834 K838 T859 K861 | I706-F713 HydrophobicContact CD1-CB 4.1Å; I706-F713 HydrophobicContact CD1-CD1 3.82Å; I706-F713 HydrophobicContact CD1-CD2 3.8Å; I706-F713 HydrophobicContact CD1-CE1 4.17Å; I706-F713 HydrophobicContact CD1-CE2 4.16Å; I706-F713 HydrophobicContact CD1-CG 3.62Å; I706-F713 HydrophobicContact CD1-CZ 4.33Å; I706-F713 HydrophobicContact CG1-CB 3.86Å; I706-F713 HydrophobicContact CG1-CD1 3.54Å; I706-F713 HydrophobicContact CG1-CD2 4.34Å; I706-F713 HydrophobicContact CG1-CE1 4.15Å; I706-F713 HydrophobicContact CG1-CG 3.65Å; S711-F713 PolarHBondContact O-N 3.48Å; F713-V715 PolarHBondContact O-N 2.67Å; F713-H716 PolarHBondContact O-N 3.06Å; F713-L717 HydrophobicContact CE1-CD2 4.46Å; F713-L717 PolarHBondContact O-N 3.49Å; F713-T834 HydrophobicContact CD2-CG2 3.84Å; F713-T834 HydrophobicContact CE2-CG2 3.53Å; F713-T834 HydrophobicContact CZ-CG2 4.44Å; F713-K838 HydrophobicContact CD2-CB 4.18Å; F713-K838 HydrophobicContact CE2-CB 3.8Å; F713-K838 HydrophobicContact CE2-CD 4.37Å; F713-K838 HydrophobicContact CE2-CG 4.29Å; F713-T859 WeakPolarHBondContact CE1-O 3.39Å; F713-K861 HydrophobicContact CD1-CG 4.47Å; F713-K861 HydrophobicContact CE1-CG 4.01Å |
| 714 | E | 86.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | -179.5 | -175.2 | 178.5 | 175.1 | 0 | 0 | 112 | Y576 Y580 G710 S711 H716 L717 L718 K861 | Y576-E714 VanDerWaalsContact CE2-OE1 3.24Å; Y576-E714 WeakPolarHBondContact CE2-OE1 3.14Å; Y576-E714 PolarHBondContact OH-OE1 3.09Å; Y576-E714 VanDerWaalsContact OH-OE1 3.06Å; Y580-E714 PolarHBondContact OH-OE1 3.37Å; G710-E714 PolarHBondContact N-OE2 3.16Å; S711-E714 WeakPolarHBondContact O-CB 3.44Å; S711-E714 PolarHBondContact O-N 3.21Å; S711-E714 WeakPolarHBondContact OG-CB 3.4Å; S711-E714 PolarHBondContact OG-N 2.93Å; E714-H716 VanDerWaalsContact C-N 3.31Å; E714-H716 PolarHBondContact O-N 3.19Å; E714-L717 WeakPolarHBondContact O-CB 3.45Å; E714-L717 PolarHBondContact O-N 3.33Å; E714-L717 VanDerWaalsContact O-N 3.16Å; E714-L718 HydrophobicContact CG-CD1 4.31Å; E714-L718 WeakPolarHBondContact O-CG 3.5Å; E714-L718 PolarHBondContact O-N 3.26Å; E714-K861 HydrophobicContact CG-CD 4.47Å; E714-K861 IonicContact OE2-NZ 3.34Å |
| 715 | V | 87.5 | Confident | 85.3 | Confident | 27 Ų | 27 | 18.2 Ų | 18.2 | 16% | 0.164 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | I618 F695 S711 F713 S719 | I618-V715 HydrophobicContact CG2-CG2 3.71Å; F695-V715 HydrophobicContact CD1-CG1 4.16Å; S711-V715 PolarHBondContact O-N 3.35Å; S711-V715 VanDerWaalsContact O-N 3.1Å; F713-V715 PolarHBondContact O-N 2.67Å; V715-S719 WeakPolarHBondContact O-CB 3.34Å; V715-S719 PolarHBondContact O-N 2.93Å; V715-S719 PolarHBondContact O-OG 3.43Å |
| 716 | H | 88.7 | Confident | 86.7 | Confident | 52 Ų | 52 | 17 Ų | 17 | 24% | 0.241 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.9 | -39.6 | 176 | -76.1 | 72.9 | 0 | 0 | 0 | 111.7 | T712 F713 E714 S719 V720 T834 L837 | T712-H716 PolarHBondContact O-N 3.36Å; T712-H716 VanDerWaalsContact O-N 3.14Å; T712-H716 PolarHBondContact O-ND1 3.38Å; F713-H716 PolarHBondContact O-N 3.06Å; E714-H716 VanDerWaalsContact C-N 3.31Å; E714-H716 PolarHBondContact O-N 3.19Å; H716-S719 WeakPolarHBondContact O-CB 3.49Å; H716-S719 PolarHBondContact O-N 3.07Å; H716-V720 WeakPolarHBondContact O-CG2 3.45Å; H716-V720 PolarHBondContact O-N 3.1Å; H716-T834 WeakPolarHBondContact CB-OG1 3.47Å; H716-L837 HydrophobicContact CB-CD1 4.34Å |
| 717 | L | 90.3 | Very high | 88 | Confident | 26 Ų | 26 | 16.8 Ų | 16.8 | 14% | 0.136 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.2 | -177.9 | 62.6 | 0 | 0 | 0 | 112 | F713 E714 S719 V720 H721 T834 K861 L868 | F713-L717 HydrophobicContact CE1-CD2 4.46Å; F713-L717 PolarHBondContact O-N 3.49Å; E714-L717 WeakPolarHBondContact O-CB 3.45Å; E714-L717 PolarHBondContact O-N 3.33Å; E714-L717 VanDerWaalsContact O-N 3.16Å; L717-S719 VanDerWaalsContact C-N 3.31Å; L717-S719 PolarHBondContact O-N 3.49Å; L717-V720 WeakPolarHBondContact O-CB 3.44Å; L717-V720 PolarHBondContact O-N 3.29Å; L717-H721 PolarHBondContact O-CD2 3.01Å; L717-H721 PolarHBondContact O-N 3.47Å; L717-T834 HydrophobicContact CB-CG2 4.47Å; L717-K861 HydrophobicContact CD2-CB 4.17Å; L717-K861 HydrophobicContact CD2-CG 4.33Å; L717-L868 HydrophobicContact CD1-CD2 3.95Å |
| 718 | L | 91.5 | Very high | 89.3 | Confident | 6 Ų | 6 | 15.9 Ų | 15.9 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 174.4 | -68.6 | 174.3 | 0 | 0 | 0 | 111.6 | W583 F611 L614 I618 E714 V720 H721 Q722 | W583-L718 HydrophobicContact CZ3-CD2 4.12Å; F611-L718 HydrophobicContact CD1-CD2 4.37Å; F611-L718 HydrophobicContact CE1-CD2 4.41Å; L614-L718 HydrophobicContact CD2-CD1 3.77Å; L614-L718 HydrophobicContact CD2-CD2 3.58Å; L614-L718 HydrophobicContact CD2-CG 4.33Å; L614-L718 HydrophobicContact CG-CD1 3.93Å; I618-L718 HydrophobicContact CD1-CD1 3.3Å; E714-L718 HydrophobicContact CG-CD1 4.31Å; E714-L718 WeakPolarHBondContact O-CG 3.5Å; E714-L718 PolarHBondContact O-N 3.26Å; L718-V720 VanDerWaalsContact C-N 3.32Å; L718-V720 PolarHBondContact O-N 2.78Å; L718-H721 PolarHBondContact O-N 3.17Å; L718-Q722 WeakPolarHBondContact O-CB 3.42Å; L718-Q722 PolarHBondContact O-N 2.87Å |
| 719 | S | 92.2 | Very high | 90.3 | Very high | 10 Ų | 10 | 12.8 Ų | 12.8 | 7% | 0.07 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.1 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | V715 H716 L717 H721 Q722 Y723 | V715-S719 WeakPolarHBondContact O-CB 3.34Å; V715-S719 PolarHBondContact O-N 2.93Å; V715-S719 PolarHBondContact O-OG 3.43Å; H716-S719 WeakPolarHBondContact O-CB 3.49Å; H716-S719 PolarHBondContact O-N 3.07Å; L717-S719 VanDerWaalsContact C-N 3.31Å; L717-S719 PolarHBondContact O-N 3.49Å; S719-H721 PolarHBondContact O-N 3.46Å; S719-Q722 PolarHBondContact O-N 2.89Å; S719-Y723 WeakPolarHBondContact O-CD2 3.41Å; S719-Y723 PolarHBondContact O-N 3.46Å |
| 720 | V | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -55.3 | -50.2 | 174.4 | 163.6 | 0 | 0 | 0 | 0 | 110.8 | H716 L717 L718 Y723 L724 V827 L830 I831 | H716-V720 WeakPolarHBondContact O-CG2 3.45Å; H716-V720 PolarHBondContact O-N 3.1Å; L717-V720 WeakPolarHBondContact O-CB 3.44Å; L717-V720 PolarHBondContact O-N 3.29Å; L718-V720 VanDerWaalsContact C-N 3.32Å; L718-V720 PolarHBondContact O-N 2.78Å; V720-Y723 PolarHBondContact O-N 3.47Å; V720-L724 HydrophobicContact CG1-CD1 3.97Å; V720-L724 WeakPolarHBondContact O-CB 3.41Å; V720-L724 WeakPolarHBondContact O-CG 3.43Å; V720-L724 PolarHBondContact O-N 3.3Å; V720-V827 HydrophobicContact CG1-CG1 4.21Å; V720-L830 HydrophobicContact CG2-CB 3.68Å; V720-I831 HydrophobicContact CB-CG1 4.4Å; V720-I831 HydrophobicContact CG1-CD1 4.02Å; V720-I831 HydrophobicContact CG1-CG1 3.76Å; V720-I831 HydrophobicContact CG2-CG1 3.68Å |
| 721 | H | 95.3 | Very high | 92 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.9 | -36.9 | 179.2 | -74.2 | -69.8 | 0 | 0 | 0 | 113.1 | W583 F611 L717 L718 S719 Y723 L724 N725 Y928 | W583-H721 HydrophobicContact CH2-CB 4.45Å; W583-H721 AromaticContact CH2-CD2 3.46Å; W583-H721 VanDerWaalsContact CH2-CD2 3.46Å; W583-H721 WeakPolarHBondContact CH2-CD2 3.47Å; W583-H721 AromaticContact CH2-CG 3.9Å; W583-H721 AromaticContact CH2-NE2 3.81Å; W583-H721 HydrophobicContact CZ2-CB 4.06Å; W583-H721 AromaticContact CZ2-CD2 3.67Å; W583-H721 AromaticContact CZ2-CG 3.62Å; W583-H721 AromaticContact CZ2-ND1 3.92Å; W583-H721 AromaticContact CZ2-NE2 3.97Å; F611-H721 HydrophobicContact CE1-CB 4.1Å; F611-H721 HydrophobicContact CE2-CB 4.05Å; F611-H721 HydrophobicContact CZ-CB 3.63Å; L717-H721 PolarHBondContact O-CD2 3.01Å; L717-H721 PolarHBondContact O-N 3.47Å; L718-H721 PolarHBondContact O-N 3.17Å; S719-H721 PolarHBondContact O-N 3.46Å; H721-Y723 PolarHBondContact O-N 3.28Å; H721-L724 PolarHBondContact O-N 2.59Å; H721-N725 WeakPolarHBondContact O-CB 3.15Å; H721-N725 PolarHBondContact O-N 2.99Å; H721-Y928 AromaticContact ND1-CE2 3.7Å; H721-Y928 AromaticContact ND1-CZ 3.99Å; H721-Y928 PolarHBondContact ND1-OH 2.89Å |
| 722 | Q | 94.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 12.6 Ų | 12.6 | 4% | 0.042 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.2 | -173.5 | -178.6 | 11.8 | 0 | 0 | 111.8 | F611 L718 S719 T726 | F611-Q722 HydrophobicContact CB-CB 4.18Å; F611-Q722 HydrophobicContact CB-CG 4.24Å; F611-Q722 HydrophobicContact CD2-CB 4.3Å; F611-Q722 HydrophobicContact CG-CB 4.4Å; L718-Q722 WeakPolarHBondContact O-CB 3.42Å; L718-Q722 PolarHBondContact O-N 2.87Å; S719-Q722 PolarHBondContact O-N 2.89Å; Q722-T726 WeakPolarHBondContact O-CB 3.31Å; Q722-T726 PolarHBondContact O-N 3.07Å; Q722-T726 PolarHBondContact O-OG1 2.93Å |
| 723 | Y | 95.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 10.9 Ų | 10.9 | 19% | 0.188 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -70.4 | -39.2 | 177.9 | -86.1 | -84.3 | 0 | 0 | 0 | 112.3 | A693 S719 V720 H721 N725 T726 A727 A823 E826 V827 L830 | A693-Y723 HydrophobicContact CB-CE1 4.35Å; A693-Y723 HydrophobicContact CB-CE2 3.92Å; A693-Y723 VanDerWaalsContact CB-OH 3.24Å; A693-Y723 WeakPolarHBondContact CB-OH 3.44Å; S719-Y723 WeakPolarHBondContact O-CD2 3.41Å; S719-Y723 PolarHBondContact O-N 3.46Å; V720-Y723 PolarHBondContact O-N 3.47Å; H721-Y723 PolarHBondContact O-N 3.28Å; Y723-N725 VanDerWaalsContact C-N 3.32Å; Y723-N725 PolarHBondContact O-N 3.03Å; Y723-T726 PolarHBondContact O-N 3.26Å; Y723-A727 VanDerWaalsContact O-CB 3.24Å; Y723-A727 WeakPolarHBondContact O-CB 3.4Å; Y723-A727 PolarHBondContact O-N 3.01Å; Y723-A823 HydrophobicContact CD1-CB 4.38Å; Y723-E826 HydrophobicContact CD1-CB 4.26Å; Y723-E826 HydrophobicContact CD1-CG 4.37Å; Y723-E826 HydrophobicContact CE1-CB 4.22Å; Y723-E826 HydrophobicContact CE1-CG 3.99Å; Y723-E826 HydrophobicContact CE2-CG 4.41Å; Y723-V827 VanDerWaalsContact CB-CG2 3.46Å; Y723-L830 HydrophobicContact CD2-CD1 3.52Å; Y723-L830 HydrophobicContact CE2-CD1 3.84Å; Y723-L830 HydrophobicContact CG-CD1 4.31Å |
| 724 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 173.3 | -82.4 | 170.6 | 0 | 0 | 0 | 111.6 | V720 H721 A727 T728 F824 V827 L871 L874 A875 Y928 | V720-L724 HydrophobicContact CG1-CD1 3.97Å; V720-L724 WeakPolarHBondContact O-CB 3.41Å; V720-L724 WeakPolarHBondContact O-CG 3.43Å; V720-L724 PolarHBondContact O-N 3.3Å; H721-L724 PolarHBondContact O-N 2.59Å; L724-A727 PolarHBondContact O-N 2.87Å; L724-T728 VanDerWaalsContact O-CB 3.29Å; L724-T728 WeakPolarHBondContact O-CB 3.35Å; L724-T728 PolarHBondContact O-N 2.95Å; L724-T728 PolarHBondContact O-OG1 3.28Å; L724-F824 HydrophobicContact CD2-CD1 4.09Å; L724-F824 HydrophobicContact CD2-CE1 3.96Å; L724-V827 HydrophobicContact CB-CG2 4.49Å; L724-V827 HydrophobicContact CD1-CG1 4.36Å; L724-V827 HydrophobicContact CD2-CG1 3.88Å; L724-V827 HydrophobicContact CD2-CG2 4.08Å; L724-V827 HydrophobicContact CG-CB 4.5Å; L724-V827 HydrophobicContact CG-CG1 3.83Å; L724-V827 HydrophobicContact CG-CG2 3.83Å; L724-L871 HydrophobicContact CD1-CB 4.39Å; L724-L871 HydrophobicContact CD1-CD1 4.37Å; L724-L871 HydrophobicContact CD1-CD2 3.92Å; L724-L871 HydrophobicContact CD1-CG 4.46Å; L724-L874 HydrophobicContact CD2-CD2 3.87Å; L724-A875 HydrophobicContact CD2-CB 4.34Å; L724-Y928 HydrophobicContact CB-CD1 4.21Å; L724-Y928 HydrophobicContact CB-CD2 4.4Å; L724-Y928 HydrophobicContact CB-CE1 3.95Å; L724-Y928 HydrophobicContact CB-CE2 4.17Å; L724-Y928 HydrophobicContact CB-CG 4.43Å; L724-Y928 HydrophobicContact CD1-CD2 4.17Å; L724-Y928 HydrophobicContact CD1-CE2 4.01Å |
| 725 | N | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | 177.6 | -177 | 8.5 | 0 | 0 | 0 | 111.4 | Y604 M607 I608 F611 H721 Y723 A727 T728 L729 Y928 | Y604-N725 WeakPolarHBondContact CA-OD1 3.29Å; Y604-N725 WeakPolarHBondContact CB-OD1 3.45Å; Y604-N725 WeakPolarHBondContact CD1-OD1 3.2Å; Y604-N725 PolarHBondContact O-ND2 3.42Å; Y604-N725 PolarHBondContact O-OD1 3.02Å; M607-N725 VanDerWaalsContact C-ND2 3.25Å; M607-N725 WeakPolarHBondContact CB-ND2 3.1Å; I608-N725 WeakPolarHBondContact CG1-ND2 3.2Å; I608-N725 PolarHBondContact N-ND2 3.39Å; F611-N725 HydrophobicContact CE2-CB 4.4Å; H721-N725 WeakPolarHBondContact O-CB 3.15Å; H721-N725 PolarHBondContact O-N 2.99Å; Y723-N725 VanDerWaalsContact C-N 3.32Å; Y723-N725 PolarHBondContact O-N 3.03Å; N725-A727 PolarHBondContact O-N 3.45Å; N725-T728 PolarHBondContact O-N 3.46Å; N725-L729 WeakPolarHBondContact O-CB 3.47Å; N725-L729 PolarHBondContact O-N 2.92Å; N725-Y928 HydrophobicContact CB-CE1 4.1Å |
| 726 | T | 94.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 9.4 Ų | 9.4 | 8% | 0.08 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 177.5 | -54.9 | 0 | 0 | 0 | 0 | 112 | Q722 Y723 T728 L729 Y730 | Q722-T726 WeakPolarHBondContact O-CB 3.31Å; Q722-T726 PolarHBondContact O-N 3.07Å; Q722-T726 PolarHBondContact O-OG1 2.93Å; Y723-T726 PolarHBondContact O-N 3.26Å; T726-T728 VanDerWaalsContact C-N 3.34Å; T726-T728 PolarHBondContact O-N 3.45Å; T726-L729 PolarHBondContact O-N 2.98Å; T726-Y730 HydrophobicContact CG2-CD2 4.23Å; T726-Y730 HydrophobicContact CG2-CE1 4.42Å; T726-Y730 HydrophobicContact CG2-CE2 3.54Å; T726-Y730 WeakPolarHBondContact O-CD2 3.38Å; T726-Y730 PolarHBondContact O-N 3.16Å; T726-Y730 VanDerWaalsContact O-N 3.1Å |
| 727 | A | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y723 L724 N725 Y730 A731 A820 A823 F824 | Y723-A727 VanDerWaalsContact O-CB 3.24Å; Y723-A727 WeakPolarHBondContact O-CB 3.4Å; Y723-A727 PolarHBondContact O-N 3.01Å; L724-A727 PolarHBondContact O-N 2.87Å; N725-A727 PolarHBondContact O-N 3.45Å; A727-Y730 PolarHBondContact O-N 2.83Å; A727-A731 PolarHBondContact O-N 3.35Å; A727-A820 WeakPolarHBondContact O-CB 3.47Å; A727-A823 HydrophobicContact CB-CB 3.61Å; A727-F824 HydrophobicContact CB-CD1 3.68Å; A727-F824 HydrophobicContact CB-CD2 3.81Å; A727-F824 HydrophobicContact CB-CE1 3.55Å; A727-F824 HydrophobicContact CB-CE2 3.67Å; A727-F824 HydrophobicContact CB-CG 3.8Å; A727-F824 HydrophobicContact CB-CZ 3.53Å |
| 728 | T | 96.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.012 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 178.5 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | Y604 L724 N725 T726 Y730 A731 I732 P929 | Y604-T728 HydrophobicContact CD1-CG2 4.46Å; Y604-T728 HydrophobicContact CD2-CG2 4.35Å; Y604-T728 HydrophobicContact CE1-CG2 3.88Å; Y604-T728 HydrophobicContact CE2-CG2 3.77Å; Y604-T728 VanDerWaalsContact CZ-CG2 3.49Å; L724-T728 VanDerWaalsContact O-CB 3.29Å; L724-T728 WeakPolarHBondContact O-CB 3.35Å; L724-T728 PolarHBondContact O-N 2.95Å; L724-T728 PolarHBondContact O-OG1 3.28Å; N725-T728 PolarHBondContact O-N 3.46Å; T726-T728 VanDerWaalsContact C-N 3.34Å; T726-T728 PolarHBondContact O-N 3.45Å; T728-Y730 PolarHBondContact O-N 2.78Å; T728-A731 PolarHBondContact O-N 2.96Å; T728-I732 HydrophobicContact CG2-CD1 3.67Å; T728-I732 HydrophobicContact CG2-CG1 4.33Å; T728-I732 WeakPolarHBondContact O-CB 3.22Å; T728-I732 WeakPolarHBondContact O-CG1 3.46Å; T728-I732 PolarHBondContact O-N 3.39Å; T728-P929 HydrophobicContact CG2-CG 4.3Å |
| 729 | L | 94.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -56.8 | -48.3 | 174 | -175.6 | 105.9 | 0 | 0 | 0 | 111.5 | L601 A605 I608 N725 T726 I732 R733 I808 | L601-L729 HydrophobicContact CD2-CD1 4.03Å; L601-L729 HydrophobicContact CD2-CG 4.18Å; L601-L729 WeakPolarHBondContact O-CD1 3.35Å; A605-L729 HydrophobicContact CB-CD1 4.2Å; I608-L729 HydrophobicContact CD1-CD2 4.21Å; N725-L729 WeakPolarHBondContact O-CB 3.47Å; N725-L729 PolarHBondContact O-N 2.92Å; T726-L729 PolarHBondContact O-N 2.98Å; L729-I732 PolarHBondContact O-N 2.95Å; L729-R733 WeakPolarHBondContact O-CB 3.28Å; L729-R733 PolarHBondContact O-N 3.31Å; L729-I808 HydrophobicContact CD2-CD1 3.78Å |
| 730 | Y | 95.1 | Very high | 91.8 | Very high | 13 Ų | 13 | 10.2 Ų | 10.2 | 5% | 0.051 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 177.4 | -65.9 | -30.1 | 0 | 0 | 0 | 112.3 | T726 A727 T728 R733 A734 I808 L816 M819 | T726-Y730 HydrophobicContact CG2-CD2 4.23Å; T726-Y730 HydrophobicContact CG2-CE1 4.42Å; T726-Y730 HydrophobicContact CG2-CE2 3.54Å; T726-Y730 WeakPolarHBondContact O-CD2 3.38Å; T726-Y730 PolarHBondContact O-N 3.16Å; T726-Y730 VanDerWaalsContact O-N 3.1Å; A727-Y730 PolarHBondContact O-N 2.83Å; T728-Y730 PolarHBondContact O-N 2.78Å; Y730-R733 PolarHBondContact O-N 2.99Å; Y730-A734 WeakPolarHBondContact O-CB 3.33Å; Y730-A734 PolarHBondContact O-N 3.16Å; Y730-I808 HydrophobicContact CD1-CD1 4.24Å; Y730-I808 HydrophobicContact CD1-CG1 4.25Å; Y730-I808 HydrophobicContact CE1-CD1 3.85Å; Y730-I808 HydrophobicContact CE1-CG1 3.84Å; Y730-L816 HydrophobicContact CD1-CD2 4.45Å; Y730-M819 HydrophobicContact CD2-CB 3.98Å; Y730-M819 HydrophobicContact CE2-CB 4.23Å; Y730-M819 HydrophobicContact CE2-CE 4.21Å |
| 731 | A | 95.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 11 Ų | 11 | 2% | 0.017 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | A727 T728 A734 L735 A820 I931 | A727-A731 PolarHBondContact O-N 3.35Å; T728-A731 PolarHBondContact O-N 2.96Å; A731-A734 PolarHBondContact O-N 2.95Å; A731-L735 WeakPolarHBondContact O-CG 3.27Å; A731-L735 PolarHBondContact O-N 3.43Å; A731-A820 HydrophobicContact CB-CB 4.08Å; A731-I931 HydrophobicContact CB-CD1 3.91Å |
| 732 | I | 92.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 178.6 | -69.9 | 172.3 | 0 | 0 | 0 | 110.9 | W600 L601 Y604 T728 L729 A734 L735 Q736 | W600-I732 HydrophobicContact CB-CD1 4.47Å; W600-I732 HydrophobicContact CE3-CD1 4Å; W600-I732 HydrophobicContact CE3-CG2 4.28Å; L601-I732 HydrophobicContact CD2-CG2 4.25Å; L601-I732 HydrophobicContact CG-CG2 4.48Å; Y604-I732 HydrophobicContact CD2-CD1 3.9Å; Y604-I732 HydrophobicContact CE2-CD1 3.29Å; T728-I732 HydrophobicContact CG2-CD1 3.67Å; T728-I732 HydrophobicContact CG2-CG1 4.33Å; T728-I732 WeakPolarHBondContact O-CB 3.22Å; T728-I732 WeakPolarHBondContact O-CG1 3.46Å; T728-I732 PolarHBondContact O-N 3.39Å; L729-I732 PolarHBondContact O-N 2.95Å; I732-A734 VanDerWaalsContact C-N 3.34Å; I732-A734 PolarHBondContact O-N 3.48Å; I732-L735 PolarHBondContact O-N 3.27Å; I732-Q736 HydrophobicContact CG2-CG 4.48Å; I732-Q736 WeakPolarHBondContact O-CG 3.42Å; I732-Q736 PolarHBondContact O-N 2.9Å |
| 733 | R | 89.7 | Confident | 88.6 | Confident | 3 Ų | 3 | 14.1 Ų | 14.1 | 1% | 0.011 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.5 | -176.6 | 61.5 | -173 | 123 | 0.2 | 111.7 | L601 L729 Y730 Q736 R737 I741 V803 I808 D809 L816 | L601-R733 HydrophobicContact CD2-CB 4.04Å; L729-R733 WeakPolarHBondContact O-CB 3.28Å; L729-R733 PolarHBondContact O-N 3.31Å; Y730-R733 PolarHBondContact O-N 2.99Å; R733-Q736 PolarHBondContact O-N 3.44Å; R733-R737 WeakPolarHBondContact O-CG 3.42Å; R733-R737 PolarHBondContact O-N 3.27Å; R733-I741 PolarHBondContact NH1-O 2.94Å; R733-V803 HydrophobicContact CG-CG1 4.48Å; R733-I808 HydrophobicContact CB-CG2 4.37Å; R733-I808 HydrophobicContact CG-CG2 3.67Å; R733-D809 IonicContact CZ-OD1 2.6Å; R733-D809 IonicContact CZ-OD2 2.79Å; R733-D809 IonicContact NE-OD1 3.77Å; R733-D809 PolarHBondContact NE-OD1 3.05Å; R733-D809 IonicContact NE-OD2 3.48Å; R733-D809 IonicContact NH2-OD1 3.95Å; R733-D809 PolarHBondContact NH2-OD1 3.13Å; R733-D809 IonicContact NH2-OD2 3.53Å; R733-D809 PolarHBondContact NH2-OD2 2.84Å; R733-L816 HydrophobicContact CG-CD1 4.27Å |
| 734 | A | 91.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y730 A731 I732 Q736 R737 D738 L816 Y817 | Y730-A734 WeakPolarHBondContact O-CB 3.33Å; Y730-A734 PolarHBondContact O-N 3.16Å; A731-A734 PolarHBondContact O-N 2.95Å; I732-A734 VanDerWaalsContact C-N 3.34Å; I732-A734 PolarHBondContact O-N 3.48Å; A734-Q736 VanDerWaalsContact C-N 3.33Å; A734-Q736 PolarHBondContact O-N 3.24Å; A734-R737 PolarHBondContact O-N 3.48Å; A734-R737 VanDerWaalsContact O-N 3.14Å; A734-D738 PolarHBondContact O-N 3.04Å; A734-L816 HydrophobicContact CB-CB 3.81Å; A734-L816 HydrophobicContact CB-CD1 4.32Å; A734-Y817 HydrophobicContact CB-CD1 3.82Å; A734-Y817 HydrophobicContact CB-CD2 3.99Å; A734-Y817 HydrophobicContact CB-CE1 3.55Å; A734-Y817 HydrophobicContact CB-CE2 3.74Å; A734-Y817 HydrophobicContact CB-CG 4.02Å |
| 735 | L | 91.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60 | -40 | 177.2 | -72.6 | 166.3 | 0 | 0 | 0 | 113 | A731 I732 S739 Y817 P893 F909 V916 L918 | A731-L735 WeakPolarHBondContact O-CG 3.27Å; A731-L735 PolarHBondContact O-N 3.43Å; I732-L735 PolarHBondContact O-N 3.27Å; L735-S739 WeakPolarHBondContact O-CB 3.26Å; L735-S739 PolarHBondContact O-N 3.37Å; L735-S739 PolarHBondContact O-OG 3.46Å; L735-Y817 WeakPolarHBondContact CA-OH 3.18Å; L735-Y817 HydrophobicContact CD2-CE1 4.45Å; L735-Y817 WeakPolarHBondContact CD2-OH 3.16Å; L735-Y817 HydrophobicContact CG-CE1 4.23Å; L735-Y817 WeakPolarHBondContact CG-OH 3.44Å; L735-Y817 PolarHBondContact N-OH 3.16Å; L735-P893 HydrophobicContact CD2-CG 3.71Å; L735-F909 HydrophobicContact CB-CB 4.38Å; L735-F909 HydrophobicContact CB-CD1 4Å; L735-F909 HydrophobicContact CB-CE1 4.39Å; L735-F909 HydrophobicContact CB-CG 4.08Å; L735-F909 HydrophobicContact CD2-CB 4.24Å; L735-V916 HydrophobicContact CD1-CG1 4.47Å; L735-V916 HydrophobicContact CD2-CB 4.14Å; L735-V916 HydrophobicContact CD2-CG1 3.92Å; L735-V916 HydrophobicContact CD2-CG2 4.13Å; L735-L918 HydrophobicContact CD1-CD1 4.48Å; L735-L918 HydrophobicContact CD1-CD2 4.08Å |
| 736 | Q | 86.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.6 | -76.6 | -176.9 | -5.5 | 0 | 0 | 111.8 | I732 R733 A734 S739 G740 I741 M907 F909 | I732-Q736 HydrophobicContact CG2-CG 4.48Å; I732-Q736 WeakPolarHBondContact O-CG 3.42Å; I732-Q736 PolarHBondContact O-N 2.9Å; R733-Q736 PolarHBondContact O-N 3.44Å; A734-Q736 VanDerWaalsContact C-N 3.33Å; A734-Q736 PolarHBondContact O-N 3.24Å; Q736-S739 CarbonylContact O-C 3.33Å; Q736-S739 WeakPolarHBondContact O-CA 3.41Å; Q736-S739 WeakPolarHBondContact O-CB 3.32Å; Q736-S739 PolarHBondContact O-N 3.38Å; Q736-G740 PolarHBondContact O-N 3.29Å; Q736-I741 HydrophobicContact CB-CB 4.26Å; Q736-I741 WeakPolarHBondContact O-CB 3.18Å; Q736-I741 PolarHBondContact O-N 3.34Å; Q736-M907 HydrophobicContact CG-CE 3.98Å; Q736-M907 VanDerWaalsContact NE2-CE 3.33Å; Q736-F909 HydrophobicContact CG-CE1 3.87Å; Q736-F909 HydrophobicContact CG-CZ 4.43Å |
| 737 | R | 85.3 | Confident | 79.8 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 25% | 0.245 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | 178.3 | -72.6 | -178.1 | 64.6 | -176 | -2.1 | 112.2 | R733 A734 S739 G740 I808 D809 R811 T813 | R733-R737 WeakPolarHBondContact O-CG 3.42Å; R733-R737 PolarHBondContact O-N 3.27Å; A734-R737 PolarHBondContact O-N 3.48Å; A734-R737 VanDerWaalsContact O-N 3.14Å; R737-S739 PolarHBondContact O-N 2.95Å; R737-G740 PolarHBondContact O-N 2.93Å; R737-I808 PolarHBondContact NH1-O 2.89Å; R737-D809 PolarHBondContact NH1-O 3.37Å; R737-R811 PolarHBondContact NH1-O 3.31Å; R737-R811 PolarHBondContact NH2-O 3.13Å; R737-R811 VanDerWaalsContact NH2-O 3.17Å; R737-T813 HydrophobicContact CB-CG2 3.41Å; R737-T813 VanDerWaalsContact CB-CG2 3.41Å; R737-T813 HydrophobicContact CG-CG2 4.32Å |
| 738 | D | 87.4 | Confident | 77.3 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 14% | 0.139 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -24.8 | 174.7 | -68.9 | -22.8 | 0 | 0 | 0 | 111.8 | A734 G740 T813 Y817 R892 | A734-D738 PolarHBondContact O-N 3.04Å; D738-G740 VanDerWaalsContact C-N 3.27Å; D738-G740 PolarHBondContact O-N 3.42Å; D738-T813 VanDerWaalsContact OD1-CB 3.29Å; D738-T813 WeakPolarHBondContact OD1-CB 3.41Å; D738-T813 WeakPolarHBondContact OD1-CG2 3.36Å; D738-T813 PolarHBondContact OD1-OG1 3.48Å; D738-Y817 VanDerWaalsContact OD2-CE2 3.26Å; D738-Y817 WeakPolarHBondContact OD2-CE2 3.38Å; D738-Y817 PolarHBondContact OD2-OH 2.95Å; D738-R892 HydrophobicContact CB-CB 4.43Å; D738-R892 VanDerWaalsContact OD2-CD 3.23Å; D738-R892 WeakPolarHBondContact OD2-CD 3.21Å |
| 739 | S | 81.5 | Confident | 74.5 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 7.8 | 172.7 | -57.8 | 0 | 0 | 0 | 0 | 114.4 | L735 Q736 R737 S908 F909 | L735-S739 WeakPolarHBondContact O-CB 3.26Å; L735-S739 PolarHBondContact O-N 3.37Å; L735-S739 PolarHBondContact O-OG 3.46Å; Q736-S739 CarbonylContact O-C 3.33Å; Q736-S739 WeakPolarHBondContact O-CA 3.41Å; Q736-S739 WeakPolarHBondContact O-CB 3.32Å; Q736-S739 PolarHBondContact O-N 3.38Å; R737-S739 PolarHBondContact O-N 2.95Å; S739-S908 VanDerWaalsContact CA-OG 3.23Å; S739-S908 WeakPolarHBondContact CA-OG 3.28Å; S739-S908 WeakPolarHBondContact CB-OG 3.3Å; S739-S908 PolarHBondContact OG-OG 3.38Å; S739-F909 WeakPolarHBondContact OG-CD1 3.41Å; S739-F909 PolarHBondContact OG-N 3.42Å |
| 740 | G | 76.7 | Confident | 72.1 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 9% | 0.093 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 15.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q736 R737 D738 T760 | Q736-G740 PolarHBondContact O-N 3.29Å; R737-G740 PolarHBondContact O-N 2.93Å; D738-G740 VanDerWaalsContact C-N 3.27Å; D738-G740 PolarHBondContact O-N 3.42Å; G740-T760 PolarHBondContact O-N 3.46Å |
| 741 | I | 75.7 | Confident | 69.4 | Low | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 113.1 | -176.6 | -57.1 | 173.1 | 0 | 0 | 0 | 110.3 | R733 Q736 I762 M907 | R733-I741 PolarHBondContact NH1-O 2.94Å; Q736-I741 HydrophobicContact CB-CB 4.26Å; Q736-I741 WeakPolarHBondContact O-CB 3.18Å; Q736-I741 PolarHBondContact O-N 3.34Å; I741-I762 HydrophobicContact CG2-CD1 3.52Å; I741-I762 HydrophobicContact CG2-CG1 4.12Å; I741-M907 HydrophobicContact CD1-CB 4.18Å; I741-M907 HydrophobicContact CD1-CE 3.79Å; I741-M907 HydrophobicContact CD1-CG 3.6Å; I741-M907 HydrophobicContact CD1-SD 4.34Å |
| 742 | E | 70.5 | Confident | 67 | Low | 60 Ų | 60 | 56.8 Ų | 56.8 | 28% | 0.28 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.3 | 175.4 | -70.7 | -169 | 171.8 | 0 | 0 | 111.9 | R759 T760 F761 I762 | E742-R759 WeakPolarHBondContact OE1-CD 3.49Å; E742-R759 IonicContact OE1-CZ 3.06Å; E742-R759 IonicContact OE1-NE 3.22Å; E742-R759 IonicContact OE1-NH1 3.29Å; E742-R759 PolarHBondContact OE1-NH1 2.86Å; E742-R759 IonicContact OE2-NH1 2.8Å; E742-T760 PolarHBondContact N-O 3.28Å; E742-T760 VanDerWaalsContact N-O 3.12Å; E742-F761 HydrophobicContact CB-CD1 4.09Å; E742-F761 HydrophobicContact CB-CE1 4.07Å; E742-F761 WeakPolarHBondContact OE2-CE1 3.28Å; E742-I762 PolarHBondContact O-N 2.96Å |
| 743 | I | 69.6 | Low | 64.8 | Low | 24 Ų | 24 | 57.7 Ų | 57.7 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | trans | -93.2 | 100 | 175.1 | -59.6 | 170.7 | 0 | 0 | 0 | 106.5 | L601 I762 V803 | L601-I743 HydrophobicContact CD1-CD1 4.1Å; I743-I762 HydrophobicContact CG1-CD1 4.25Å; I743-V803 HydrophobicContact CD1-CG1 3.56Å | ||
| 744 | N | 58.8 | Low | 62.8 | Low | 37 Ų | 37 | 63.9 Ų | 63.9 | 20% | 0.198 | 35% | 0.35 | C | S | . | . | trans | -84.4 | 134.1 | -178.1 | -148.4 | -38.1 | 0 | 0 | 0 | 111.8 | F761 R800 | N744-F761 HydrophobicContact CB-CB 4.16Å; N744-F761 HydrophobicContact CB-CD1 3.47Å; N744-F761 VanDerWaalsContact CB-CD1 3.47Å; N744-F761 HydrophobicContact CB-CE1 4.08Å; N744-F761 HydrophobicContact CB-CG 4.02Å; N744-F761 WeakPolarHBondContact ND2-CD1 3.28Å; N744-F761 WeakPolarHBondContact ND2-CE1 3.47Å; N744-R800 PolarHBondContact O-NH2 3.04Å | ||
| 745 | V | 50 | Low | 60.7 | Low | 68 Ų | 68 | 69.2 Ų | 69.2 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -79.3 | -28.6 | -173.9 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | R800 | V745-R800 VanDerWaalsContact C-NH2 3.32Å; V745-R800 PolarHBondContact O-NH2 3.48Å |
| 746 | N | 45.8 | Very low | 58.6 | Low | 143 Ų | 143 | 72.7 Ų | 72.7 | 77% | 0.765 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -141.4 | 7.9 | -163 | -73 | -29.4 | 0 | 0 | 0 | 117.3 | ||
| 747 | R | 44.6 | Very low | 56.6 | Low | 136 Ų | 136 | 77.8 Ų | 77.8 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | trans | -109.6 | 127.8 | -174.2 | -68.8 | -167.7 | -175.8 | 175.9 | -2.4 | 113.3 | ||||
| 748 | Q | 44.2 | Very low | 54.7 | Low | 209 Ų | 209 | 80.7 Ų | 80.7 | 98% | 0.977 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -87.2 | -8.3 | 170.9 | -77.1 | 179.3 | -16.1 | 0 | 0 | 113.1 | ||
| 749 | S | 37.9 | Very low | 53 | Low | 62 Ų | 62 | 83.7 Ų | 83.7 | 43% | 0.434 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -135.1 | 145.5 | -178 | 56.9 | 0 | 0 | 0 | 0 | 113 | D751 | S749-D751 PolarHBondContact O-N 2.63Š|
| 750 | P | 42.5 | Very low | 51.5 | Low | 108 Ų | 108 | 85.5 Ų | 85.5 | 70% | 0.701 | 48% | 0.477 | S | S | * | . | trans | -84.4 | 88.1 | 173.5 | 33.3 | -28.8 | 0 | 0 | 0 | 109.6 | ||||
| 751 | D | 39.9 | Very low | 50.4 | Low | 99 Ų | 99 | 87 Ų | 87 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 141.1 | 165.2 | -78.8 | -29.1 | 0 | 0 | 0 | 110.1 | S749 A753 | S749-D751 PolarHBondContact O-N 2.63Å; D751-A753 PolarHBondContact O-N 3.43Å |
| 752 | P | 43.6 | Very low | 49.4 | Very low | 114 Ų | 114 | 88.1 Ų | 88.1 | 74% | 0.74 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 133.7 | 176.6 | -12.9 | 25.9 | 0 | 0 | 0 | 110 | ||
| 753 | A | 47.4 | Very low | 48.6 | Very low | 20 Ų | 20 | 87.9 Ų | 87.9 | 17% | 0.165 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 146.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D751 D755 G756 | D751-A753 PolarHBondContact O-N 3.43Å; A753-D755 PolarHBondContact O-N 3.3Å; A753-G756 PolarHBondContact O-N 3.36Å |
| 754 | P | 46.8 | Very low | 47.8 | Very low | 133 Ų | 133 | 92.9 Ų | 92.9 | 86% | 0.864 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -14.8 | -179.3 | 21.3 | -31.4 | 0 | 0 | 0 | 114.1 | ||
| 755 | D | 48.1 | Very low | 47.7 | Very low | 113 Ų | 113 | 94.7 Ų | 94.7 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 5 | -176.3 | -50.8 | -20.4 | 0 | 0 | 0 | 113.8 | A753 Q757 | A753-D755 PolarHBondContact O-N 3.3Å; D755-Q757 PolarHBondContact O-N 3.26Å; D755-Q757 VanDerWaalsContact O-N 3.08Å |
| 756 | G | 47.4 | Very low | 48.4 | Very low | 72 Ų | 72 | 96.6 Ų | 96.6 | 74% | 0.742 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 70.3 | 0.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A753 | A753-G756 PolarHBondContact O-N 3.36Š|
| 757 | Q | 45.5 | Very low | 49.8 | Very low | 108 Ų | 108 | 91.4 Ų | 91.4 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | trans | -79.4 | 122.9 | 171.3 | -72.9 | -178.6 | -4.3 | 0 | 0 | 110.4 | D755 R759 | D755-Q757 PolarHBondContact O-N 3.26Å; D755-Q757 VanDerWaalsContact O-N 3.08Å; Q757-R759 PolarHBondContact O-N 3.12Å | ||
| 758 | L | 45.5 | Very low | 51.6 | Low | 127 Ų | 127 | 87.3 Ų | 87.3 | 67% | 0.665 | 49% | 0.491 | S | S | * | . | trans | -67.9 | 96 | 173.3 | -149.4 | 102.2 | 0 | 0 | 0 | 108.5 | ||||
| 759 | R | 50 | Low | 53.5 | Low | 88 Ų | 88 | 82.1 Ų | 82.1 | 33% | 0.332 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -93.1 | 125.3 | 174.8 | -65.1 | -167.3 | -175.1 | 179.2 | 9.4 | 109.5 | E742 Q757 F761 | E742-R759 WeakPolarHBondContact OE1-CD 3.49Å; E742-R759 IonicContact OE1-CZ 3.06Å; E742-R759 IonicContact OE1-NE 3.22Å; E742-R759 IonicContact OE1-NH1 3.29Å; E742-R759 PolarHBondContact OE1-NH1 2.86Å; E742-R759 IonicContact OE2-NH1 2.8Å; Q757-R759 PolarHBondContact O-N 3.12Å; R759-F761 HydrophobicContact CB-CZ 4.4Å |
| 760 | T | 51.4 | Low | 55.8 | Low | 49 Ų | 49 | 81 Ų | 81 | 30% | 0.301 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.6 | -178 | -21.5 | 0 | 0 | 0 | 0 | 109 | G740 E742 P905 | G740-T760 PolarHBondContact O-N 3.46Å; E742-T760 PolarHBondContact N-O 3.28Å; E742-T760 VanDerWaalsContact N-O 3.12Å; T760-P905 HydrophobicContact CG2-CB 4.5Å; T760-P905 HydrophobicContact CG2-CG 3.82Å |
| 761 | F | 52.5 | Low | 58 | Low | 42 Ų | 42 | 76 Ų | 76 | 18% | 0.184 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.8 | 177.7 | -65.4 | -60.3 | 0 | 0 | 0 | 111 | E742 N744 R759 | E742-F761 HydrophobicContact CB-CD1 4.09Å; E742-F761 HydrophobicContact CB-CE1 4.07Å; E742-F761 WeakPolarHBondContact OE2-CE1 3.28Å; N744-F761 HydrophobicContact CB-CB 4.16Å; N744-F761 HydrophobicContact CB-CD1 3.47Å; N744-F761 VanDerWaalsContact CB-CD1 3.47Å; N744-F761 HydrophobicContact CB-CE1 4.08Å; N744-F761 HydrophobicContact CB-CG 4.02Å; N744-F761 WeakPolarHBondContact ND2-CD1 3.28Å; N744-F761 WeakPolarHBondContact ND2-CE1 3.47Å; R759-F761 HydrophobicContact CB-CZ 4.4Å |
| 762 | I | 55.4 | Low | 60.4 | Low | 39 Ų | 39 | 72.6 Ų | 72.6 | 20% | 0.2 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 120.2 | 176.5 | -67.2 | 170.8 | 0 | 0 | 0 | 109.9 | I741 E742 I743 Y767 | I741-I762 HydrophobicContact CG2-CD1 3.52Å; I741-I762 HydrophobicContact CG2-CG1 4.12Å; E742-I762 PolarHBondContact O-N 2.96Å; I743-I762 HydrophobicContact CG1-CD1 4.25Å; I762-Y767 HydrophobicContact CB-CE2 4.37Å; I762-Y767 HydrophobicContact CD1-CE2 4.36Å; I762-Y767 HydrophobicContact CG1-CE2 4.43Å; I762-Y767 HydrophobicContact CG2-CD2 3.17Å; I762-Y767 HydrophobicContact CG2-CE2 3.12Å; I762-Y767 HydrophobicContact CG2-CG 4.02Å |
| 763 | S | 53.6 | Low | 62.6 | Low | 54 Ų | 54 | 76.4 Ų | 76.4 | 38% | 0.378 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 133.5 | 176.2 | 167.6 | 0 | 0 | 0 | 0 | 112.2 | S765 | S763-S765 VanDerWaalsContact C-N 3.35Å; S763-S765 PolarHBondContact O-N 3.41Å; S763-S765 PolarHBondContact OG-N 3.01Å; S763-S765 PolarHBondContact OG-OG 2.83Å; S763-S765 VanDerWaalsContact OG-OG 3.08Å |
| 764 | R | 53.3 | Low | 64.7 | Low | 129 Ų | 129 | 78.5 Ų | 78.5 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61 | -36.3 | 179.4 | -168.8 | -178.8 | -177.1 | 179.5 | 0.5 | 113.2 | L768 Y796 E797 | R764-L768 PolarHBondContact O-N 3.42Å; R764-Y796 HydrophobicContact CG-CE1 4.45Å; R764-E797 IonicContact CZ-OE1 3.58Å; R764-E797 IonicContact NE-OE1 3.46Å; R764-E797 IonicContact NH2-OE1 2.69Å; R764-E797 PolarHBondContact NH2-OE1 3.04Å |
| 765 | S | 56.8 | Low | 67 | Low | 75 Ų | 75 | 72.2 Ų | 72.2 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | -174.4 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | S763 Y767 E769 | S763-S765 VanDerWaalsContact C-N 3.35Å; S763-S765 PolarHBondContact O-N 3.41Å; S763-S765 PolarHBondContact OG-N 3.01Å; S763-S765 PolarHBondContact OG-OG 2.83Å; S763-S765 VanDerWaalsContact OG-OG 3.08Å; S765-Y767 VanDerWaalsContact C-N 3.34Å; S765-Y767 PolarHBondContact O-N 2.9Å; S765-E769 PolarHBondContact O-N 3.32Å |
| 766 | N | 64.6 | Low | 69 | Low | 108 Ų | 108 | 67 Ų | 67 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.6 | -33.1 | -173 | -66.7 | 5.9 | 0 | 0 | 0 | 111.9 | S770 | N766-S770 WeakPolarHBondContact O-CB 3.37Å; N766-S770 PolarHBondContact O-N 3.06Å; N766-S770 VanDerWaalsContact O-N 3.13Å |
| 767 | Y | 74.2 | Confident | 71.2 | Confident | 34 Ų | 34 | 65 Ų | 65 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -79.6 | -36 | -179.8 | -96.3 | -102.7 | 0 | 0 | 0 | 113.4 | S598 F602 I762 S765 E769 S770 Y771 Y796 W799 | S598-Y767 WeakPolarHBondContact CA-OH 3.42Å; S598-Y767 WeakPolarHBondContact CB-OH 3.45Å; S598-Y767 WeakPolarHBondContact O-CE1 3.41Å; S598-Y767 PolarHBondContact O-OH 2.7Å; F602-Y767 AromaticContact CD1-CD1 4Å; F602-Y767 HydrophobicContact CD1-CD1 4Å; F602-Y767 HydrophobicContact CD1-CE1 4.14Å; F602-Y767 HydrophobicContact CE1-CD1 4.17Å; F602-Y767 HydrophobicContact CE1-CE1 4.32Å; I762-Y767 HydrophobicContact CB-CE2 4.37Å; I762-Y767 HydrophobicContact CD1-CE2 4.36Å; I762-Y767 HydrophobicContact CG1-CE2 4.43Å; I762-Y767 HydrophobicContact CG2-CD2 3.17Å; I762-Y767 HydrophobicContact CG2-CE2 3.12Å; I762-Y767 HydrophobicContact CG2-CG 4.02Å; S765-Y767 VanDerWaalsContact C-N 3.34Å; S765-Y767 PolarHBondContact O-N 2.9Å; Y767-E769 VanDerWaalsContact C-N 3.33Å; Y767-S770 PolarHBondContact O-N 3.43Å; Y767-Y771 WeakPolarHBondContact O-CB 3.5Å; Y767-Y771 PolarHBondContact O-N 2.81Å; Y767-Y796 WeakPolarHBondContact CB-OH 3.36Å; Y767-W799 HydrophobicContact CD1-CZ2 4.39Å |
| 768 | L | 83.4 | Confident | 73.5 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.8 | 177 | 61.9 | 0 | 0 | 0 | 110.6 | R764 Y771 A772 V792 Y796 | R764-L768 PolarHBondContact O-N 3.42Å; L768-Y771 PolarHBondContact O-N 2.86Å; L768-A772 VanDerWaalsContact O-CB 3.23Å; L768-A772 WeakPolarHBondContact O-CB 3.45Å; L768-A772 PolarHBondContact O-N 3.49Å; L768-V792 HydrophobicContact CD1-CG1 4.44Å; L768-Y796 HydrophobicContact CB-CD1 4.38Å; L768-Y796 HydrophobicContact CB-CD2 4.4Å; L768-Y796 HydrophobicContact CB-CE1 4.31Å; L768-Y796 HydrophobicContact CB-CE2 4.35Å; L768-Y796 HydrophobicContact CB-CG 4.43Å; L768-Y796 HydrophobicContact CD1-CD1 3.85Å; L768-Y796 HydrophobicContact CD1-CD2 4Å; L768-Y796 HydrophobicContact CD1-CG 3.51Å |
| 769 | E | 84.4 | Confident | 75.7 | Confident | 100 Ų | 100 | 54 Ų | 54 | 47% | 0.467 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 177 | -173.8 | 174.6 | -167.7 | 0 | 0 | 112.1 | S765 Y767 Y771 A772 R773 | S765-E769 PolarHBondContact O-N 3.32Å; Y767-E769 VanDerWaalsContact C-N 3.33Å; E769-Y771 VanDerWaalsContact C-N 3.32Å; E769-Y771 PolarHBondContact O-N 3.49Å; E769-A772 PolarHBondContact O-N 3.46Å; E769-R773 HydrophobicContact CG-CG 4.42Å; E769-R773 WeakPolarHBondContact O-CB 3.41Å; E769-R773 WeakPolarHBondContact O-CG 3.11Å; E769-R773 PolarHBondContact O-N 3.17Å; E769-R773 IonicContact OE1-CZ 3.45Å; E769-R773 VanDerWaalsContact OE1-CZ 3.24Å; E769-R773 IonicContact OE1-NE 2.69Å; E769-R773 PolarHBondContact OE1-NE 2.97Å; E769-R773 IonicContact OE1-NH2 3.19Å; E769-R773 PolarHBondContact OE1-NH2 2.92Å |
| 770 | S | 85.5 | Confident | 77.6 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 175.4 | -166.6 | 0 | 0 | 0 | 0 | 111.8 | E599 N766 Y767 R773 R774 | E599-S770 PolarHBondContact OE1-OG 3.28Å; N766-S770 WeakPolarHBondContact O-CB 3.37Å; N766-S770 PolarHBondContact O-N 3.06Å; N766-S770 VanDerWaalsContact O-N 3.13Å; Y767-S770 PolarHBondContact O-N 3.43Å; S770-R773 PolarHBondContact O-N 2.79Å; S770-R774 VanDerWaalsContact O-CB 3.31Å; S770-R774 WeakPolarHBondContact O-CB 3.33Å; S770-R774 PolarHBondContact O-N 3.29Å |
| 771 | Y | 88.4 | Confident | 79.4 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -47.4 | 175.8 | -176 | -93.8 | 0 | 0 | 0 | 111 | F602 Y767 L768 E769 R774 L775 L779 V792 A795 Y796 W799 | F602-Y771 HydrophobicContact CB-CD2 3.74Å; F602-Y771 HydrophobicContact CB-CE2 3.92Å; F602-Y771 HydrophobicContact CD1-CD2 4.27Å; F602-Y771 AromaticContact CD2-CD2 3.47Å; F602-Y771 HydrophobicContact CD2-CD2 3.47Å; F602-Y771 VanDerWaalsContact CD2-CD2 3.47Å; F602-Y771 AromaticContact CD2-CE2 3.97Å; F602-Y771 HydrophobicContact CD2-CE2 3.97Å; F602-Y771 HydrophobicContact CE2-CD2 4.06Å; F602-Y771 AromaticContact CG-CD2 3.6Å; F602-Y771 HydrophobicContact CG-CD2 3.6Å; F602-Y771 HydrophobicContact CG-CE2 4.19Å; Y767-Y771 WeakPolarHBondContact O-CB 3.5Å; Y767-Y771 PolarHBondContact O-N 2.81Å; L768-Y771 PolarHBondContact O-N 2.86Å; E769-Y771 VanDerWaalsContact C-N 3.32Å; E769-Y771 PolarHBondContact O-N 3.49Å; Y771-R774 PolarHBondContact O-N 3.41Å; Y771-L775 HydrophobicContact CD2-CD1 3.9Å; Y771-L775 HydrophobicContact CE2-CD1 3.42Å; Y771-L775 VanDerWaalsContact CE2-CD1 3.42Å; Y771-L775 PolarHBondContact O-N 3.18Å; Y771-L779 HydrophobicContact CD1-CD1 4.37Å; Y771-L779 HydrophobicContact CE1-CD1 3.43Å; Y771-L779 VanDerWaalsContact CE1-CD1 3.43Å; Y771-V792 HydrophobicContact CD1-CG1 4.12Å; Y771-A795 HydrophobicContact CE1-CB 4.15Å; Y771-Y796 AromaticContact CD1-CD2 3.99Å; Y771-Y796 HydrophobicContact CD1-CD2 3.99Å; Y771-Y796 HydrophobicContact CD1-CG 4.48Å; Y771-Y796 HydrophobicContact CD2-CD2 4.23Å; Y771-Y796 AromaticContact CG-CD2 3.76Å; Y771-Y796 HydrophobicContact CG-CD2 3.76Å; Y771-W799 AromaticContact CD2-CD1 3.89Å; Y771-W799 AromaticContact CD2-NE1 3.73Å; Y771-W799 AromaticContact CE2-CD1 3.42Å; Y771-W799 VanDerWaalsContact CE2-CD1 3.42Å; Y771-W799 HydrophobicContact CE2-CG 4.28Å; Y771-W799 AromaticContact CE2-NE1 3.78Å; Y771-W799 AromaticContact CZ-CD1 3.86Å |
| 772 | A | 90.6 | Very high | 81 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L768 E769 R774 G776 V792 | L768-A772 VanDerWaalsContact O-CB 3.23Å; L768-A772 WeakPolarHBondContact O-CB 3.45Å; L768-A772 PolarHBondContact O-N 3.49Å; E769-A772 PolarHBondContact O-N 3.46Å; A772-R774 VanDerWaalsContact C-N 3.27Å; A772-R774 PolarHBondContact O-N 3.12Å; A772-G776 WeakPolarHBondContact O-CA 3.36Å; A772-G776 PolarHBondContact O-N 3.47Å; A772-V792 HydrophobicContact CB-CG1 3.59Å |
| 773 | R | 90.7 | Very high | 82.6 | Confident | 193 Ų | 193 | 59.2 Ų | 59.2 | 73% | 0.728 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.7 | -33 | 178.1 | -72.5 | 179.4 | -176.4 | -168.5 | 0.7 | 112.1 | E769 S770 | E769-R773 HydrophobicContact CG-CG 4.42Å; E769-R773 WeakPolarHBondContact O-CB 3.41Å; E769-R773 WeakPolarHBondContact O-CG 3.11Å; E769-R773 PolarHBondContact O-N 3.17Å; E769-R773 IonicContact OE1-CZ 3.45Å; E769-R773 VanDerWaalsContact OE1-CZ 3.24Å; E769-R773 IonicContact OE1-NE 2.69Å; E769-R773 PolarHBondContact OE1-NE 2.97Å; E769-R773 IonicContact OE1-NH2 3.19Å; E769-R773 PolarHBondContact OE1-NH2 2.92Å; S770-R773 PolarHBondContact O-N 2.79Å |
| 774 | R | 91.6 | Very high | 84.4 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -86.4 | -43.1 | -174.9 | -159.2 | 68.8 | 76.1 | 166.8 | 9.8 | 114.1 | L594 Y595 E599 F602 I603 S770 Y771 A772 | L594-R774 VanDerWaalsContact O-CZ 3.28Å; L594-R774 PolarHBondContact O-NH1 2.93Å; L594-R774 PolarHBondContact O-NH2 2.85Å; Y595-R774 HydrophobicContact CD1-CG 4.14Å; Y595-R774 HydrophobicContact CE1-CG 3.8Å; E599-R774 IonicContact OE1-CZ 3.61Å; E599-R774 VanDerWaalsContact OE1-CZ 3.27Å; E599-R774 IonicContact OE1-NE 3.74Å; E599-R774 PolarHBondContact OE1-NE 3.11Å; E599-R774 IonicContact OE1-NH2 3.76Å; E599-R774 PolarHBondContact OE1-NH2 2.67Å; E599-R774 IonicContact OE2-CZ 3.78Å; E599-R774 IonicContact OE2-NH2 2.88Å; E599-R774 PolarHBondContact OE2-NH2 3.38Å; F602-R774 HydrophobicContact CE2-CB 4.25Å; F602-R774 HydrophobicContact CE2-CG 4.45Å; F602-R774 HydrophobicContact CZ-CB 4.49Å; I603-R774 HydrophobicContact CD1-CG 3.93Å; S770-R774 VanDerWaalsContact O-CB 3.31Å; S770-R774 WeakPolarHBondContact O-CB 3.33Å; S770-R774 PolarHBondContact O-N 3.29Å; Y771-R774 PolarHBondContact O-N 3.41Å; A772-R774 VanDerWaalsContact C-N 3.27Å; A772-R774 PolarHBondContact O-N 3.12Å |
| 775 | L | 93.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -111.4 | -1.4 | -174.3 | -63.8 | 172.7 | 0 | 0 | 0 | 112.9 | V586 F602 I603 F606 Y771 I777 F778 L779 | V586-L775 HydrophobicContact CG2-CD2 4.47Å; F602-L775 HydrophobicContact CD2-CD1 4.02Å; F602-L775 HydrophobicContact CE2-CD1 4.36Å; I603-L775 HydrophobicContact CD1-CD1 4.39Å; I603-L775 HydrophobicContact CD1-CD2 4.15Å; I603-L775 HydrophobicContact CD1-CG 4.32Å; F606-L775 HydrophobicContact CB-CD1 3.67Å; F606-L775 HydrophobicContact CB-CD2 4.49Å; F606-L775 HydrophobicContact CD1-CD1 4.4Å; F606-L775 HydrophobicContact CD1-CD2 3.75Å; F606-L775 HydrophobicContact CD2-CD1 3.82Å; F606-L775 HydrophobicContact CD2-CD2 4.24Å; F606-L775 HydrophobicContact CD2-CG 4.49Å; F606-L775 HydrophobicContact CE1-CD2 3.95Å; F606-L775 HydrophobicContact CE2-CD2 4.41Å; F606-L775 HydrophobicContact CG-CD1 3.7Å; F606-L775 HydrophobicContact CG-CD2 3.89Å; F606-L775 HydrophobicContact CG-CG 4.4Å; F606-L775 HydrophobicContact CZ-CD2 4.26Å; Y771-L775 HydrophobicContact CD2-CD1 3.9Å; Y771-L775 HydrophobicContact CE2-CD1 3.42Å; Y771-L775 VanDerWaalsContact CE2-CD1 3.42Å; Y771-L775 PolarHBondContact O-N 3.18Å; L775-I777 PolarHBondContact O-N 3.25Å; L775-I777 VanDerWaalsContact O-N 3.09Å; L775-F778 HydrophobicContact CD2-CD2 4.1Å; L775-F778 HydrophobicContact CD2-CE2 4.19Å; L775-F778 PolarHBondContact O-N 2.77Å; L775-L779 HydrophobicContact CB-CD1 3.82Å; L775-L779 HydrophobicContact CB-CG 4.46Å; L775-L779 WeakPolarHBondContact O-CG 3.24Å; L775-L779 PolarHBondContact O-N 3.39Å |
| 776 | G | 91.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.2 | -24.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A772 F778 L779 I780 | A772-G776 WeakPolarHBondContact O-CA 3.36Å; A772-G776 PolarHBondContact O-N 3.47Å; G776-F778 PolarHBondContact O-N 3.17Å; G776-L779 PolarHBondContact O-N 2.86Å; G776-I780 WeakPolarHBondContact O-CB 3.4Å; G776-I780 VanDerWaalsContact O-CG1 3.23Å; G776-I780 WeakPolarHBondContact O-CG1 3.45Å; G776-I780 PolarHBondContact O-N 3.16Å |
| 777 | I | 92.8 | Very high | 89 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.4 | -32.8 | 171.8 | -163.5 | 169.9 | 0 | 0 | 0 | 113 | G512 L515 K516 Y585 L775 | G512-I777 VanDerWaalsContact CA-CD1 3.48Å; G512-I777 VanDerWaalsContact O-CD1 3.26Å; G512-I777 WeakPolarHBondContact O-CD1 3.34Å; L515-I777 HydrophobicContact CB-CD1 4.31Å; L515-I777 HydrophobicContact CB-CG1 4.42Å; K516-I777 HydrophobicContact CB-CG1 4.28Å; Y585-I777 HydrophobicContact CE1-CD1 4.24Å; Y585-I777 HydrophobicContact CE1-CG2 3.92Å; Y585-I777 HydrophobicContact CE2-CD1 4.03Å; L775-I777 PolarHBondContact O-N 3.25Å; L775-I777 VanDerWaalsContact O-N 3.09Å |
| 778 | F | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -97.5 | -24.8 | 177.8 | -51.9 | -64.6 | 0 | 0 | 0 | 112.8 | L515 Y578 A582 Y585 V586 F606 L775 G776 S784 L786 | L515-F778 HydrophobicContact CB-CE1 4.26Å; L515-F778 HydrophobicContact CD1-CE1 3.83Å; L515-F778 HydrophobicContact CD1-CZ 4.17Å; L515-F778 HydrophobicContact CD2-CE1 4.15Å; L515-F778 HydrophobicContact CG-CE1 4.3Å; Y578-F778 HydrophobicContact CE1-CD1 4.47Å; Y578-F778 WeakPolarHBondContact OH-CD1 3.4Å; A582-F778 HydrophobicContact CB-CD1 4.08Å; A582-F778 HydrophobicContact CB-CE1 3.4Å; A582-F778 VanDerWaalsContact CB-CE1 3.4Å; A582-F778 HydrophobicContact CB-CZ 3.86Å; Y585-F778 AromaticContact CD1-CE2 3.91Å; Y585-F778 HydrophobicContact CD1-CE2 3.91Å; Y585-F778 AromaticContact CD1-CZ 3.53Å; Y585-F778 HydrophobicContact CD1-CZ 3.53Å; Y585-F778 HydrophobicContact CE1-CE2 4.3Å; Y585-F778 HydrophobicContact CE1-CZ 4.2Å; Y585-F778 HydrophobicContact CG-CZ 4.14Å; V586-F778 HydrophobicContact CG2-CE2 3.89Å; V586-F778 HydrophobicContact CG2-CZ 4.25Å; F606-F778 AromaticContact CE1-CD2 3.87Å; F606-F778 HydrophobicContact CE1-CD2 3.87Å; F606-F778 AromaticContact CE1-CE2 3.99Å; F606-F778 HydrophobicContact CE1-CE2 3.99Å; F606-F778 HydrophobicContact CE2-CB 4.4Å; F606-F778 HydrophobicContact CE2-CD2 4.26Å; F606-F778 HydrophobicContact CZ-CB 4.03Å; F606-F778 AromaticContact CZ-CD2 3.41Å; F606-F778 HydrophobicContact CZ-CD2 3.41Å; F606-F778 VanDerWaalsContact CZ-CD2 3.41Å; F606-F778 HydrophobicContact CZ-CE2 4.01Å; F606-F778 AromaticContact CZ-CG 3.82Å; F606-F778 HydrophobicContact CZ-CG 3.82Å; L775-F778 HydrophobicContact CD2-CD2 4.1Å; L775-F778 HydrophobicContact CD2-CE2 4.19Å; L775-F778 PolarHBondContact O-N 2.77Å; G776-F778 PolarHBondContact O-N 3.17Å; F778-S784 WeakPolarHBondContact O-CB 3.49Å; F778-S784 PolarHBondContact O-OG 3.12Å; F778-L786 HydrophobicContact CB-CB 4.26Å; F778-L786 HydrophobicContact CB-CD1 4.22Å; F778-L786 HydrophobicContact CD1-CD1 4.03Å; F778-L786 HydrophobicContact CG-CD1 4.16Å |
| 779 | L | 91.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -110.5 | -13.1 | -164.2 | -61.6 | 176.8 | 0 | 0 | 0 | 114.3 | F606 Y771 L775 G776 L786 V787 V792 A795 | F606-L779 HydrophobicContact CE2-CD2 4.33Å; Y771-L779 HydrophobicContact CD1-CD1 4.37Å; Y771-L779 HydrophobicContact CE1-CD1 3.43Å; Y771-L779 VanDerWaalsContact CE1-CD1 3.43Å; L775-L779 HydrophobicContact CB-CD1 3.82Å; L775-L779 HydrophobicContact CB-CG 4.46Å; L775-L779 WeakPolarHBondContact O-CG 3.24Å; L775-L779 PolarHBondContact O-N 3.39Å; G776-L779 PolarHBondContact O-N 2.86Å; L779-L786 WeakPolarHBondContact CD2-O 3.42Å; L779-V787 WeakPolarHBondContact O-CG2 3.38Å; L779-V792 HydrophobicContact CB-CB 4.48Å; L779-V792 HydrophobicContact CB-CG2 3.74Å; L779-A795 HydrophobicContact CD1-CB 3.85Å; L779-A795 HydrophobicContact CD2-CB 3.94Å |
| 780 | I | 89.6 | Confident | 89.2 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -81.3 | -43.9 | 174.2 | -64.8 | 166.9 | 0 | 0 | 0 | 111.3 | G776 H782 V792 | G776-I780 WeakPolarHBondContact O-CB 3.4Å; G776-I780 VanDerWaalsContact O-CG1 3.23Å; G776-I780 WeakPolarHBondContact O-CG1 3.45Å; G776-I780 PolarHBondContact O-N 3.16Å; I780-H782 PolarHBondContact O-N 3.2Å; I780-V792 HydrophobicContact CG1-CG2 3.85Å |
| 781 | P | 89.1 | Confident | 89.3 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -63.9 | 122.1 | 175.4 | -18.4 | 31.9 | 0 | 0 | 0 | 110.2 | P519 N783 S784 | P519-P781 HydrophobicContact CB-CB 4.33Å; P519-P781 HydrophobicContact CG-CB 4.16Å; P781-N783 VanDerWaalsContact C-N 3.25Å; P781-N783 PolarHBondContact O-N 3.13Å; P781-S784 VanDerWaalsContact O-CB 3.27Å; P781-S784 WeakPolarHBondContact O-CB 3.34Å; P781-S784 PolarHBondContact O-N 3.41Å |
| 782 | H | 86 | Confident | 89.3 | Confident | 159 Ų | 159 | 50.4 Ų | 50.4 | 74% | 0.736 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -20.2 | -174.4 | 66.3 | -78.7 | 0 | 0 | 0 | 113.6 | I780 V787 | I780-H782 PolarHBondContact O-N 3.2Å; H782-V787 WeakPolarHBondContact O-CG1 3.44Å |
| 783 | N | 88.8 | Confident | 89.2 | Confident | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 1.6 | 175.3 | 55.3 | -10 | 0 | 0 | 0 | 112.7 | P519 D520 D523 P781 | P519-N783 VanDerWaalsContact C-ND2 3.3Å; P519-N783 HydrophobicContact CB-CB 4.38Å; P519-N783 VanDerWaalsContact CB-CG 3.48Å; P519-N783 WeakPolarHBondContact CB-OD1 3.43Å; P519-N783 PolarHBondContact O-ND2 3.42Å; D520-N783 PolarHBondContact N-ND2 2.96Å; D520-N783 PolarHBondContact OD1-ND2 3.2Å; D523-N783 VanDerWaalsContact OD2-CB 3.24Å; D523-N783 WeakPolarHBondContact OD2-CB 3.42Å; D523-N783 PolarHBondContact OD2-ND2 3.04Å; P781-N783 VanDerWaalsContact C-N 3.25Å; P781-N783 PolarHBondContact O-N 3.13Å |
| 784 | S | 91.8 | Very high | 89 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | trans | -63.1 | 134.2 | 176.9 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | Y578 F778 P781 L786 V787 | Y578-S784 PolarHBondContact OH-OG 2.98Å; F778-S784 WeakPolarHBondContact O-CB 3.49Å; F778-S784 PolarHBondContact O-OG 3.12Å; P781-S784 VanDerWaalsContact O-CB 3.27Å; P781-S784 WeakPolarHBondContact O-CB 3.34Å; P781-S784 PolarHBondContact O-N 3.41Å; S784-L786 PolarHBondContact O-N 3.19Å; S784-L786 VanDerWaalsContact O-N 3.07Å; S784-L786 PolarHBondContact OG-N 3.48Å; S784-V787 WeakPolarHBondContact O-CG1 3.15Å; S784-V787 PolarHBondContact O-N 3.45Å | ||
| 785 | P | 91.3 | Very high | 88.8 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 22% | 0.221 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -8.7 | 177.3 | 30.1 | -36.5 | 0 | 0 | 0 | 113.2 | L522 T575 Y578 Y579 | L522-P785 HydrophobicContact CD1-CG 4.04Å; T575-P785 HydrophobicContact CG2-CB 3.8Å; T575-P785 HydrophobicContact CG2-CG 4.13Å; Y578-P785 HydrophobicContact CD1-CG 3.43Å; Y578-P785 VanDerWaalsContact CD1-CG 3.43Å; Y578-P785 HydrophobicContact CD2-CG 4.45Å; Y578-P785 HydrophobicContact CE1-CG 3.6Å; Y578-P785 HydrophobicContact CG-CG 3.92Å; Y579-P785 HydrophobicContact CE1-CB 3.97Å; Y579-P785 HydrophobicContact CE1-CG 4.04Å; Y579-P785 PolarHBondContact OH-O 2.81Å |
| 786 | L | 92.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -2.1 | 174.5 | -67 | 176 | 0 | 0 | 0 | 113.6 | Y578 Y579 A582 F606 L610 F778 L779 S784 | Y578-L786 HydrophobicContact CD1-CD1 4.44Å; Y578-L786 HydrophobicContact CE1-CD1 3.69Å; Y578-L786 HydrophobicContact CE1-CG 3.89Å; Y579-L786 HydrophobicContact CD1-CD1 4.37Å; Y579-L786 HydrophobicContact CD1-CD2 3.72Å; Y579-L786 HydrophobicContact CD1-CG 4.02Å; Y579-L786 HydrophobicContact CE1-CD2 3.38Å; Y579-L786 HydrophobicContact CE1-CG 3.75Å; A582-L786 HydrophobicContact CB-CD1 3.91Å; F606-L786 HydrophobicContact CZ-CD1 3.8Å; L610-L786 HydrophobicContact CD1-CD1 3.82Å; L610-L786 HydrophobicContact CD1-CD2 3.64Å; L610-L786 HydrophobicContact CD1-CG 4.35Å; F778-L786 HydrophobicContact CB-CB 4.26Å; F778-L786 HydrophobicContact CB-CD1 4.22Å; F778-L786 HydrophobicContact CD1-CD1 4.03Å; F778-L786 HydrophobicContact CG-CD1 4.16Å; L779-L786 WeakPolarHBondContact CD2-O 3.42Å; S784-L786 PolarHBondContact O-N 3.19Å; S784-L786 VanDerWaalsContact O-N 3.07Å; S784-L786 PolarHBondContact OG-N 3.48Å |
| 787 | V | 88.5 | Confident | 88.1 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 26% | 0.255 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 130.6 | 178.9 | 82.9 | 0 | 0 | 0 | 0 | 110.1 | L779 H782 S784 | L779-V787 WeakPolarHBondContact O-CG2 3.38Å; H782-V787 WeakPolarHBondContact O-CG1 3.44Å; S784-V787 WeakPolarHBondContact O-CG1 3.15Å; S784-V787 PolarHBondContact O-N 3.45Å |
| 788 | E | 81.5 | Confident | 87.7 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 16% | 0.159 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 164.4 | 171.9 | -66 | -171.9 | -168.6 | 0 | 0 | 111.2 | H609 G790 G791 A795 T798 | H609-E788 IonicContact CD2-OE1 3.98Å; H609-E788 IonicContact CE1-OE1 2.65Å; H609-E788 IonicContact CG-OE1 3.75Å; H609-E788 IonicContact ND1-OE1 3.17Å; H609-E788 IonicContact NE2-OE1 3.88Å; E788-G790 PolarHBondContact O-N 3.4Å; E788-G790 VanDerWaalsContact O-N 3.13Å; E788-G791 PolarHBondContact O-N 3.13Å; E788-A795 HydrophobicContact CB-CB 4.21Å; E788-A795 HydrophobicContact CG-CB 4.22Å; E788-A795 WeakPolarHBondContact OE2-CA 3.4Å; E788-T798 WeakPolarHBondContact OE2-CB 3.32Å; E788-T798 WeakPolarHBondContact OE2-CG2 3.3Å; E788-T798 PolarHBondContact OE2-OG1 3.47Å |
| 789 | M | 82 | Confident | 87.2 | Confident | 187 Ų | 187 | 46 Ų | 46 | 92% | 0.921 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 119.8 | 172 | -79 | -67.9 | -153 | 0 | 0 | 110.7 | G794 | M789-G794 VanDerWaalsContact O-CA 3.32Å; M789-G794 WeakPolarHBondContact O-CA 3.49Å |
| 790 | G | 82.6 | Confident | 86.6 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 64% | 0.639 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | 9.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E788 S793 G794 | E788-G790 PolarHBondContact O-N 3.4Å; E788-G790 VanDerWaalsContact O-N 3.13Å; G790-S793 PolarHBondContact O-N 2.94Å; G790-G794 PolarHBondContact O-N 3.45Å |
| 791 | G | 87.4 | Confident | 86.3 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | 62.8 | -140.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | E788 S793 G794 A795 | E788-G791 PolarHBondContact O-N 3.13Å; G791-S793 VanDerWaalsContact C-N 3.28Å; G791-S793 PolarHBondContact O-N 3.02Å; G791-G794 PolarHBondContact O-N 3.41Å; G791-A795 PolarHBondContact O-N 3.29Å |
| 792 | V | 89.1 | Confident | 85.9 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.1 | -41.5 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 112.7 | L768 Y771 A772 L779 I780 Y796 | L768-V792 HydrophobicContact CD1-CG1 4.44Å; Y771-V792 HydrophobicContact CD1-CG1 4.12Å; A772-V792 HydrophobicContact CB-CG1 3.59Å; L779-V792 HydrophobicContact CB-CB 4.48Å; L779-V792 HydrophobicContact CB-CG2 3.74Å; I780-V792 HydrophobicContact CG1-CG2 3.85Å; V792-Y796 VanDerWaalsContact O-CB 3.25Å; V792-Y796 WeakPolarHBondContact O-CB 3.4Å; V792-Y796 PolarHBondContact O-N 3.15Å |
| 793 | S | 87.7 | Confident | 85.6 | Confident | 61 Ų | 61 | 38.8 Ų | 38.8 | 43% | 0.427 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.9 | -47.6 | 179 | -61.4 | 0 | 0 | 0 | 0 | 110 | G790 G791 A795 Y796 E797 | G790-S793 PolarHBondContact O-N 2.94Å; G791-S793 VanDerWaalsContact C-N 3.28Å; G791-S793 PolarHBondContact O-N 3.02Å; S793-A795 PolarHBondContact O-N 2.93Å; S793-Y796 WeakPolarHBondContact O-CA 3.36Å; S793-Y796 WeakPolarHBondContact O-CB 3.42Å; S793-Y796 PolarHBondContact O-N 3.01Å; S793-Y796 VanDerWaalsContact O-N 3.07Å; S793-E797 PolarHBondContact O-N 3.27Å |
| 794 | G | 86.2 | Confident | 85 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 16% | 0.155 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -50.1 | -53.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M789 G790 G791 Y796 E797 T798 | M789-G794 VanDerWaalsContact O-CA 3.32Å; M789-G794 WeakPolarHBondContact O-CA 3.49Å; G790-G794 PolarHBondContact O-N 3.45Å; G791-G794 PolarHBondContact O-N 3.41Å; G794-Y796 VanDerWaalsContact C-N 3.32Å; G794-Y796 PolarHBondContact O-N 3.3Å; G794-E797 PolarHBondContact O-N 3.21Å; G794-T798 PolarHBondContact O-N 3.16Å; G794-T798 PolarHBondContact O-OG1 3.48Å; G794-T798 VanDerWaalsContact O-OG1 3.13Å |
| 795 | A | 86.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y771 L779 E788 G791 S793 T798 W799 | Y771-A795 HydrophobicContact CE1-CB 4.15Å; L779-A795 HydrophobicContact CD1-CB 3.85Å; L779-A795 HydrophobicContact CD2-CB 3.94Å; E788-A795 HydrophobicContact CB-CB 4.21Å; E788-A795 HydrophobicContact CG-CB 4.22Å; E788-A795 WeakPolarHBondContact OE2-CA 3.4Å; G791-A795 PolarHBondContact O-N 3.29Å; S793-A795 PolarHBondContact O-N 2.93Å; A795-T798 PolarHBondContact O-N 3.21Å; A795-W799 PolarHBondContact O-N 2.9Å; A795-W799 VanDerWaalsContact O-N 3.11Å |
| 796 | Y | 86.9 | Confident | 83.5 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 173.5 | -179 | -97.5 | 0 | 0 | 0 | 111.7 | R764 Y767 L768 Y771 V792 S793 G794 T798 W799 R800 | R764-Y796 HydrophobicContact CG-CE1 4.45Å; Y767-Y796 WeakPolarHBondContact CB-OH 3.36Å; L768-Y796 HydrophobicContact CB-CD1 4.38Å; L768-Y796 HydrophobicContact CB-CD2 4.4Å; L768-Y796 HydrophobicContact CB-CE1 4.31Å; L768-Y796 HydrophobicContact CB-CE2 4.35Å; L768-Y796 HydrophobicContact CB-CG 4.43Å; L768-Y796 HydrophobicContact CD1-CD1 3.85Å; L768-Y796 HydrophobicContact CD1-CD2 4Å; L768-Y796 HydrophobicContact CD1-CG 3.51Å; Y771-Y796 AromaticContact CD1-CD2 3.99Å; Y771-Y796 HydrophobicContact CD1-CD2 3.99Å; Y771-Y796 HydrophobicContact CD1-CG 4.48Å; Y771-Y796 HydrophobicContact CD2-CD2 4.23Å; Y771-Y796 AromaticContact CG-CD2 3.76Å; Y771-Y796 HydrophobicContact CG-CD2 3.76Å; V792-Y796 VanDerWaalsContact O-CB 3.25Å; V792-Y796 WeakPolarHBondContact O-CB 3.4Å; V792-Y796 PolarHBondContact O-N 3.15Å; S793-Y796 WeakPolarHBondContact O-CA 3.36Å; S793-Y796 WeakPolarHBondContact O-CB 3.42Å; S793-Y796 PolarHBondContact O-N 3.01Å; S793-Y796 VanDerWaalsContact O-N 3.07Å; G794-Y796 VanDerWaalsContact C-N 3.32Å; G794-Y796 PolarHBondContact O-N 3.3Å; Y796-T798 VanDerWaalsContact C-N 3.32Å; Y796-T798 PolarHBondContact O-N 3.3Å; Y796-W799 HydrophobicContact CD2-CZ2 4.44Å; Y796-W799 AromaticContact CD2-NE1 3.14Å; Y796-W799 AromaticContact CE2-CE2 3.91Å; Y796-W799 AromaticContact CE2-CZ2 3.8Å; Y796-W799 HydrophobicContact CE2-CZ2 3.8Å; Y796-W799 AromaticContact CE2-NE1 3.42Å; Y796-W799 AromaticContact CG-NE1 3.84Å; Y796-W799 PolarHBondContact O-NE1 3.27Å; Y796-R800 WeakPolarHBondContact O-CB 3.18Å; Y796-R800 PolarHBondContact O-N 3.28Å |
| 797 | E | 84 | Confident | 82.6 | Confident | 62 Ų | 62 | 44.2 Ų | 44.2 | 29% | 0.29 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 176.5 | -96.1 | 58.1 | -136.9 | 0 | 0 | 112.3 | R764 S793 G794 R800 S801 | R764-E797 IonicContact CZ-OE1 3.58Å; R764-E797 IonicContact NE-OE1 3.46Å; R764-E797 IonicContact NH2-OE1 2.69Å; R764-E797 PolarHBondContact NH2-OE1 3.04Å; S793-E797 PolarHBondContact O-N 3.27Å; G794-E797 PolarHBondContact O-N 3.21Å; E797-R800 IonicContact OE1-NH1 3.24Å; E797-S801 WeakPolarHBondContact O-CB 3.34Å; E797-S801 PolarHBondContact O-N 3.37Å |
| 798 | T | 83.7 | Confident | 82.3 | Confident | 67 Ų | 67 | 42.4 Ų | 42.4 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.1 | -52.5 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | E788 G794 A795 Y796 R800 S801 L802 | E788-T798 WeakPolarHBondContact OE2-CB 3.32Å; E788-T798 WeakPolarHBondContact OE2-CG2 3.3Å; E788-T798 PolarHBondContact OE2-OG1 3.47Å; G794-T798 PolarHBondContact O-N 3.16Å; G794-T798 PolarHBondContact O-OG1 3.48Å; G794-T798 VanDerWaalsContact O-OG1 3.13Å; A795-T798 PolarHBondContact O-N 3.21Å; Y796-T798 VanDerWaalsContact C-N 3.32Å; Y796-T798 PolarHBondContact O-N 3.3Å; T798-R800 VanDerWaalsContact C-N 3.26Å; T798-R800 PolarHBondContact O-N 2.98Å; T798-S801 WeakPolarHBondContact O-CB 3.27Å; T798-S801 PolarHBondContact O-N 2.65Å; T798-L802 PolarHBondContact O-N 2.88Å |
| 799 | W | 83.8 | Confident | 82.1 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 178.6 | 89.5 | -99.4 | 0 | 0 | 0 | 110.9 | L601 F602 A605 Y767 Y771 A795 Y796 S801 L802 V803 | L601-W799 HydrophobicContact CB-CZ3 4.28Å; F602-W799 HydrophobicContact CB-CD2 3.69Å; F602-W799 HydrophobicContact CB-CE3 4.07Å; F602-W799 HydrophobicContact CB-CG 4.13Å; F602-W799 HydrophobicContact CB-CH2 4.3Å; F602-W799 HydrophobicContact CB-CZ2 3.94Å; F602-W799 HydrophobicContact CB-CZ3 4.36Å; A605-W799 HydrophobicContact CB-CB 3.78Å; Y767-W799 HydrophobicContact CD1-CZ2 4.39Å; Y771-W799 AromaticContact CD2-CD1 3.89Å; Y771-W799 AromaticContact CD2-NE1 3.73Å; Y771-W799 AromaticContact CE2-CD1 3.42Å; Y771-W799 VanDerWaalsContact CE2-CD1 3.42Å; Y771-W799 HydrophobicContact CE2-CG 4.28Å; Y771-W799 AromaticContact CE2-NE1 3.78Å; Y771-W799 AromaticContact CZ-CD1 3.86Å; A795-W799 PolarHBondContact O-N 2.9Å; A795-W799 VanDerWaalsContact O-N 3.11Å; Y796-W799 HydrophobicContact CD2-CZ2 4.44Å; Y796-W799 AromaticContact CD2-NE1 3.14Å; Y796-W799 AromaticContact CE2-CE2 3.91Å; Y796-W799 AromaticContact CE2-CZ2 3.8Å; Y796-W799 HydrophobicContact CE2-CZ2 3.8Å; Y796-W799 AromaticContact CE2-NE1 3.42Å; Y796-W799 AromaticContact CG-NE1 3.84Å; Y796-W799 PolarHBondContact O-NE1 3.27Å; W799-S801 VanDerWaalsContact C-N 3.32Å; W799-S801 PolarHBondContact O-N 3.17Å; W799-L802 WeakPolarHBondContact O-CB 3.38Å; W799-L802 PolarHBondContact O-N 3.18Å; W799-V803 HydrophobicContact CE3-CB 4.3Å; W799-V803 HydrophobicContact CE3-CG2 3.67Å; W799-V803 HydrophobicContact CZ3-CB 4.12Å; W799-V803 HydrophobicContact CZ3-CG2 3.75Å; W799-V803 PolarHBondContact O-N 3.03Å |
| 800 | R | 80.8 | Confident | 81.9 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 176.8 | -176.1 | -176.7 | -175.5 | -159.2 | 6.6 | 111 | N744 V745 Y796 E797 T798 L802 V803 S804 | N744-R800 PolarHBondContact O-NH2 3.04Å; V745-R800 VanDerWaalsContact C-NH2 3.32Å; V745-R800 PolarHBondContact O-NH2 3.48Å; Y796-R800 WeakPolarHBondContact O-CB 3.18Å; Y796-R800 PolarHBondContact O-N 3.28Å; E797-R800 IonicContact OE1-NH1 3.24Å; T798-R800 VanDerWaalsContact C-N 3.26Å; T798-R800 PolarHBondContact O-N 2.98Å; R800-L802 VanDerWaalsContact C-N 3.34Å; R800-V803 PolarHBondContact O-N 3.39Å; R800-S804 VanDerWaalsContact O-CB 3.22Å; R800-S804 WeakPolarHBondContact O-CB 3.38Å; R800-S804 PolarHBondContact O-N 3.25Å; R800-S804 PolarHBondContact O-OG 3.17Å |
| 801 | S | 81.5 | Confident | 82 | Confident | 82 Ų | 82 | 38.9 Ų | 38.9 | 57% | 0.573 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.7 | -40.4 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | E797 T798 W799 S804 S805 | E797-S801 WeakPolarHBondContact O-CB 3.34Å; E797-S801 PolarHBondContact O-N 3.37Å; T798-S801 WeakPolarHBondContact O-CB 3.27Å; T798-S801 PolarHBondContact O-N 2.65Å; W799-S801 VanDerWaalsContact C-N 3.32Å; W799-S801 PolarHBondContact O-N 3.17Å; S801-S804 CarbonylContact O-C 3.52Å; S801-S804 PolarHBondContact O-N 3.44Å; S801-S805 WeakPolarHBondContact O-CA 3.43Å; S801-S805 WeakPolarHBondContact O-CB 3.29Å; S801-S805 PolarHBondContact O-N 3.09Å |
| 802 | L | 80.5 | Confident | 82.1 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 27% | 0.272 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 175.4 | 179.9 | 68.9 | 0 | 0 | 0 | 111.5 | A605 T798 W799 R800 S805 I808 | A605-L802 HydrophobicContact CB-CD2 4.27Å; T798-L802 PolarHBondContact O-N 2.88Å; W799-L802 WeakPolarHBondContact O-CB 3.38Å; W799-L802 PolarHBondContact O-N 3.18Å; R800-L802 VanDerWaalsContact C-N 3.34Å; L802-S805 WeakPolarHBondContact O-CB 3.4Å; L802-S805 PolarHBondContact O-N 3.46Å; L802-S805 PolarHBondContact O-OG 3.4Å; L802-I808 HydrophobicContact CG-CD1 4.49Å; L802-I808 WeakPolarHBondContact O-CD1 3.34Å |
| 803 | V | 80.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -72.4 | -36.7 | -178.6 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | L601 R733 I743 W799 R800 S805 I808 D809 | L601-V803 HydrophobicContact CD1-CG1 4.35Å; R733-V803 HydrophobicContact CG-CG1 4.48Å; I743-V803 HydrophobicContact CD1-CG1 3.56Å; W799-V803 HydrophobicContact CE3-CB 4.3Å; W799-V803 HydrophobicContact CE3-CG2 3.67Å; W799-V803 HydrophobicContact CZ3-CB 4.12Å; W799-V803 HydrophobicContact CZ3-CG2 3.75Å; W799-V803 PolarHBondContact O-N 3.03Å; R800-V803 PolarHBondContact O-N 3.39Å; V803-S805 PolarHBondContact O-N 3.29Å; V803-I808 HydrophobicContact CG1-CG2 4.37Å; V803-I808 WeakPolarHBondContact O-CB 3.36Å; V803-I808 WeakPolarHBondContact O-CG2 3.28Å; V803-D809 VanDerWaalsContact O-CG 3.29Å |
| 804 | S | 77.1 | Confident | 82.5 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1.6 | 176.9 | -45.8 | 0 | 0 | 0 | 0 | 112.9 | R800 S801 | R800-S804 VanDerWaalsContact O-CB 3.22Å; R800-S804 WeakPolarHBondContact O-CB 3.38Å; R800-S804 PolarHBondContact O-N 3.25Å; R800-S804 PolarHBondContact O-OG 3.17Å; S801-S804 CarbonylContact O-C 3.52Å; S801-S804 PolarHBondContact O-N 3.44Å |
| 805 | S | 78.7 | Confident | 82.8 | Confident | 26 Ų | 26 | 40.8 Ų | 40.8 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -65.6 | 157.8 | -177.7 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | S801 L802 V803 I807 I808 D809 G810 | S801-S805 WeakPolarHBondContact O-CA 3.43Å; S801-S805 WeakPolarHBondContact O-CB 3.29Å; S801-S805 PolarHBondContact O-N 3.09Å; L802-S805 WeakPolarHBondContact O-CB 3.4Å; L802-S805 PolarHBondContact O-N 3.46Å; L802-S805 PolarHBondContact O-OG 3.4Å; V803-S805 PolarHBondContact O-N 3.29Å; S805-I807 PolarHBondContact O-N 3.34Å; S805-I807 PolarHBondContact OG-N 3.01Å; S805-I808 PolarHBondContact O-N 3.31Å; S805-I808 VanDerWaalsContact O-N 3.07Å; S805-D809 PolarHBondContact O-N 3.24Å; S805-G810 PolarHBondContact O-N 3.09Å |
| 806 | S | 71.8 | Confident | 83.2 | Confident | 92 Ų | 92 | 40.8 Ų | 40.8 | 64% | 0.643 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.7 | 173.3 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | G810 | S806-G810 CarbonylContact O-C 3.58Å; S806-G810 VanDerWaalsContact O-CA 3.26Å; S806-G810 WeakPolarHBondContact O-CA 3.45Å |
| 807 | I | 74.9 | Confident | 83.7 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -42.5 | 177.3 | -50.8 | 175.3 | 0 | 0 | 0 | 110.9 | I689 I692 S805 R811 M819 | I689-I807 HydrophobicContact CB-CD1 3.9Å; I689-I807 HydrophobicContact CD1-CD1 3.36Å; I689-I807 HydrophobicContact CD1-CG1 3.65Å; I689-I807 HydrophobicContact CG1-CD1 3.58Å; I689-I807 HydrophobicContact CG1-CG1 4.41Å; I689-I807 HydrophobicContact CG2-CD1 3.73Å; I692-I807 HydrophobicContact CD1-CD1 4.24Å; S805-I807 PolarHBondContact O-N 3.34Å; S805-I807 PolarHBondContact OG-N 3.01Å; I807-R811 WeakPolarHBondContact O-CD 2.79Å; I807-R811 VanDerWaalsContact O-CG 3.28Å; I807-R811 WeakPolarHBondContact O-CG 3.26Å; I807-M819 HydrophobicContact CG2-CE 3.82Å |
| 808 | I | 80.9 | Confident | 84.2 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -66.1 | -172 | -62.6 | -176 | 0 | 0 | 0 | 109.8 | L729 Y730 R733 R737 L802 V803 S805 L816 | L729-I808 HydrophobicContact CD2-CD1 3.78Å; Y730-I808 HydrophobicContact CD1-CD1 4.24Å; Y730-I808 HydrophobicContact CD1-CG1 4.25Å; Y730-I808 HydrophobicContact CE1-CD1 3.85Å; Y730-I808 HydrophobicContact CE1-CG1 3.84Å; R733-I808 HydrophobicContact CB-CG2 4.37Å; R733-I808 HydrophobicContact CG-CG2 3.67Å; R737-I808 PolarHBondContact NH1-O 2.89Å; L802-I808 HydrophobicContact CG-CD1 4.49Å; L802-I808 WeakPolarHBondContact O-CD1 3.34Å; V803-I808 HydrophobicContact CG1-CG2 4.37Å; V803-I808 WeakPolarHBondContact O-CB 3.36Å; V803-I808 WeakPolarHBondContact O-CG2 3.28Å; S805-I808 PolarHBondContact O-N 3.31Å; S805-I808 VanDerWaalsContact O-N 3.07Å; I808-L816 HydrophobicContact CB-CD2 4.47Å; I808-L816 HydrophobicContact CG2-CD2 4.1Å |
| 809 | D | 78.6 | Confident | 84.8 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -20.6 | -177.8 | -83 | 0.7 | 0 | 0 | 0 | 113 | R733 R737 V803 S805 R811 | R733-D809 IonicContact CZ-OD1 2.6Å; R733-D809 IonicContact CZ-OD2 2.79Å; R733-D809 IonicContact NE-OD1 3.77Å; R733-D809 PolarHBondContact NE-OD1 3.05Å; R733-D809 IonicContact NE-OD2 3.48Å; R733-D809 IonicContact NH2-OD1 3.95Å; R733-D809 PolarHBondContact NH2-OD1 3.13Å; R733-D809 IonicContact NH2-OD2 3.53Å; R733-D809 PolarHBondContact NH2-OD2 2.84Å; R737-D809 PolarHBondContact NH1-O 3.37Å; V803-D809 VanDerWaalsContact O-CG 3.29Å; S805-D809 PolarHBondContact O-N 3.24Å; D809-R811 VanDerWaalsContact C-N 3.27Å; D809-R811 PolarHBondContact O-N 3.4Å |
| 810 | G | 77.7 | Confident | 85.4 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 61% | 0.608 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -10.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S805 S806 | S805-G810 PolarHBondContact O-N 3.09Å; S806-G810 CarbonylContact O-C 3.58Å; S806-G810 VanDerWaalsContact O-CA 3.26Å; S806-G810 WeakPolarHBondContact O-CA 3.45Å |
| 811 | R | 83.9 | Confident | 86.2 | Confident | 110 Ų | 110 | 36.8 Ų | 36.8 | 42% | 0.415 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -101 | 166.2 | 179.8 | -69 | -169.2 | -177.9 | -127.4 | -0.5 | 112.5 | R737 I807 D809 D815 M819 | R737-R811 PolarHBondContact NH1-O 3.31Å; R737-R811 PolarHBondContact NH2-O 3.13Å; R737-R811 VanDerWaalsContact NH2-O 3.17Å; I807-R811 WeakPolarHBondContact O-CD 2.79Å; I807-R811 VanDerWaalsContact O-CG 3.28Å; I807-R811 WeakPolarHBondContact O-CG 3.26Å; D809-R811 VanDerWaalsContact C-N 3.27Å; D809-R811 PolarHBondContact O-N 3.4Å; R811-D815 HydrophobicContact CB-CB 4.01Å; R811-M819 WeakPolarHBondContact CD-SD 2.88Å |
| 812 | S | 89.8 | Confident | 87 | Confident | 51 Ų | 51 | 41.2 Ų | 41.2 | 36% | 0.357 | 23% | 0.231 | S | C | . | . | trans | -71.1 | 159 | 172 | 72 | 0 | 0 | 0 | 0 | 111.3 | S814 D815 L816 | S812-S814 VanDerWaalsContact C-N 3.25Å; S812-S814 PolarHBondContact O-N 2.9Å; S812-D815 PolarHBondContact N-OD2 3.14Å; S812-D815 PolarHBondContact O-N 3.37Å; S812-D815 PolarHBondContact OG-N 2.94Å; S812-D815 PolarHBondContact OG-OD2 3.27Å; S812-L816 PolarHBondContact O-N 3.48Å; S812-L816 VanDerWaalsContact O-N 3.1Å | ||
| 813 | T | 91 | Very high | 87.7 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 14% | 0.135 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -34.3 | 174.4 | 54 | 0 | 0 | 0 | 0 | 111.6 | R737 D738 D815 L816 Y817 R892 | R737-T813 HydrophobicContact CB-CG2 3.41Å; R737-T813 VanDerWaalsContact CB-CG2 3.41Å; R737-T813 HydrophobicContact CG-CG2 4.32Å; D738-T813 VanDerWaalsContact OD1-CB 3.29Å; D738-T813 WeakPolarHBondContact OD1-CB 3.41Å; D738-T813 WeakPolarHBondContact OD1-CG2 3.36Å; D738-T813 PolarHBondContact OD1-OG1 3.48Å; T813-D815 VanDerWaalsContact C-N 3.35Å; T813-D815 PolarHBondContact O-N 3.43Å; T813-L816 PolarHBondContact O-N 3.23Å; T813-Y817 VanDerWaalsContact O-CD2 3.22Å; T813-Y817 WeakPolarHBondContact O-CD2 3.49Å; T813-Y817 PolarHBondContact O-N 2.79Å; T813-Y817 VanDerWaalsContact O-N 3.1Å; T813-R892 PolarHBondContact OG1-NH1 3.26Å; T813-R892 VanDerWaalsContact OG1-NH1 3.11Å |
| 814 | S | 93.2 | Very high | 88.6 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55 | -47.6 | 170.2 | -53.1 | 0 | 0 | 0 | 0 | 112 | S812 L816 Y817 L818 G886 R892 | S812-S814 VanDerWaalsContact C-N 3.25Å; S812-S814 PolarHBondContact O-N 2.9Å; S814-L816 PolarHBondContact O-N 2.83Å; S814-Y817 PolarHBondContact O-N 3.21Å; S814-L818 WeakPolarHBondContact O-CG 3.34Å; S814-L818 PolarHBondContact O-N 2.99Å; S814-G886 WeakPolarHBondContact CB-O 3.49Å; S814-R892 PolarHBondContact OG-NH1 2.89Å; S814-R892 VanDerWaalsContact OG-NH1 3.07Å; S814-R892 PolarHBondContact OG-NH2 3.46Å |
| 815 | D | 94 | Very high | 89.5 | Confident | 63 Ų | 63 | 39.3 Ų | 39.3 | 34% | 0.337 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 178.6 | -67 | -45.1 | 0 | 0 | 0 | 112.1 | R811 S812 T813 Y817 L818 M819 | R811-D815 HydrophobicContact CB-CB 4.01Å; S812-D815 PolarHBondContact N-OD2 3.14Å; S812-D815 PolarHBondContact O-N 3.37Å; S812-D815 PolarHBondContact OG-N 2.94Å; S812-D815 PolarHBondContact OG-OD2 3.27Å; T813-D815 VanDerWaalsContact C-N 3.35Å; T813-D815 PolarHBondContact O-N 3.43Å; D815-Y817 VanDerWaalsContact C-N 3.34Å; D815-Y817 PolarHBondContact O-N 3.48Å; D815-L818 CarbonylContact O-C 3.4Å; D815-L818 PolarHBondContact O-N 2.94Å; D815-M819 WeakPolarHBondContact O-CB 3.49Å; D815-M819 VanDerWaalsContact O-CG 3.28Å; D815-M819 WeakPolarHBondContact O-CG 3.34Å; D815-M819 PolarHBondContact O-N 2.93Å |
| 816 | L | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 177.3 | -74.5 | 176.6 | 0 | 0 | 0 | 111.9 | Y730 R733 A734 I808 S812 T813 S814 M819 A820 | Y730-L816 HydrophobicContact CD1-CD2 4.45Å; R733-L816 HydrophobicContact CG-CD1 4.27Å; A734-L816 HydrophobicContact CB-CB 3.81Å; A734-L816 HydrophobicContact CB-CD1 4.32Å; I808-L816 HydrophobicContact CB-CD2 4.47Å; I808-L816 HydrophobicContact CG2-CD2 4.1Å; S812-L816 PolarHBondContact O-N 3.48Å; S812-L816 VanDerWaalsContact O-N 3.1Å; T813-L816 PolarHBondContact O-N 3.23Å; S814-L816 PolarHBondContact O-N 2.83Å; L816-M819 PolarHBondContact O-N 3.45Å; L816-A820 WeakPolarHBondContact O-CB 3.38Å; L816-A820 PolarHBondContact O-N 3.1Å |
| 817 | Y | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 173.6 | -75.9 | -55.9 | 0 | 0 | 0 | 112.4 | A734 L735 D738 T813 S814 D815 M819 A820 A821 C882 L885 R892 | A734-Y817 HydrophobicContact CB-CD1 3.82Å; A734-Y817 HydrophobicContact CB-CD2 3.99Å; A734-Y817 HydrophobicContact CB-CE1 3.55Å; A734-Y817 HydrophobicContact CB-CE2 3.74Å; A734-Y817 HydrophobicContact CB-CG 4.02Å; L735-Y817 WeakPolarHBondContact CA-OH 3.18Å; L735-Y817 HydrophobicContact CD2-CE1 4.45Å; L735-Y817 WeakPolarHBondContact CD2-OH 3.16Å; L735-Y817 HydrophobicContact CG-CE1 4.23Å; L735-Y817 WeakPolarHBondContact CG-OH 3.44Å; L735-Y817 PolarHBondContact N-OH 3.16Å; D738-Y817 VanDerWaalsContact OD2-CE2 3.26Å; D738-Y817 WeakPolarHBondContact OD2-CE2 3.38Å; D738-Y817 PolarHBondContact OD2-OH 2.95Å; T813-Y817 VanDerWaalsContact O-CD2 3.22Å; T813-Y817 WeakPolarHBondContact O-CD2 3.49Å; T813-Y817 PolarHBondContact O-N 2.79Å; T813-Y817 VanDerWaalsContact O-N 3.1Å; S814-Y817 PolarHBondContact O-N 3.21Å; D815-Y817 VanDerWaalsContact C-N 3.34Å; D815-Y817 PolarHBondContact O-N 3.48Å; Y817-M819 VanDerWaalsContact C-N 3.32Å; Y817-M819 PolarHBondContact O-N 3.07Å; Y817-A820 WeakPolarHBondContact O-CB 3.39Å; Y817-A820 PolarHBondContact O-N 3.28Å; Y817-A821 PolarHBondContact O-N 2.87Å; Y817-C882 WeakPolarHBondContact CB-O 3.22Å; Y817-C882 WeakPolarHBondContact O-CB 3.38Å; Y817-L885 HydrophobicContact CD1-CB 3.83Å; Y817-L885 HydrophobicContact CD1-CD1 4.11Å; Y817-L885 HydrophobicContact CD2-CB 3.84Å; Y817-L885 HydrophobicContact CE1-CB 3.93Å; Y817-L885 HydrophobicContact CE1-CD1 3.62Å; Y817-L885 HydrophobicContact CE1-CG 4.39Å; Y817-L885 HydrophobicContact CE2-CB 3.92Å; Y817-L885 HydrophobicContact CG-CB 3.8Å; Y817-R892 HydrophobicContact CE2-CG 4.27Å |
| 818 | L | 96.2 | Very high | 92.5 | Very high | 53 Ų | 53 | 36.5 Ų | 36.5 | 28% | 0.277 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67 | -33.8 | 176.8 | -67 | 174.6 | 0 | 0 | 0 | 112.2 | S814 D815 A821 R822 | S814-L818 WeakPolarHBondContact O-CG 3.34Å; S814-L818 PolarHBondContact O-N 2.99Å; D815-L818 CarbonylContact O-C 3.4Å; D815-L818 PolarHBondContact O-N 2.94Å; L818-A821 PolarHBondContact O-N 2.91Å; L818-R822 WeakPolarHBondContact O-CG 3.48Å; L818-R822 PolarHBondContact O-N 3.33Å |
| 819 | M | 95.5 | Very high | 93.1 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 16% | 0.158 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.9 | -43 | 172.1 | -72.3 | -178.3 | 72.8 | 0 | 0 | 111.5 | Y730 I807 R811 D815 L816 Y817 A821 R822 A823 | Y730-M819 HydrophobicContact CD2-CB 3.98Å; Y730-M819 HydrophobicContact CE2-CB 4.23Å; Y730-M819 HydrophobicContact CE2-CE 4.21Å; I807-M819 HydrophobicContact CG2-CE 3.82Å; R811-M819 WeakPolarHBondContact CD-SD 2.88Å; D815-M819 WeakPolarHBondContact O-CB 3.49Å; D815-M819 VanDerWaalsContact O-CG 3.28Å; D815-M819 WeakPolarHBondContact O-CG 3.34Å; D815-M819 PolarHBondContact O-N 2.93Å; L816-M819 PolarHBondContact O-N 3.45Å; Y817-M819 VanDerWaalsContact C-N 3.32Å; Y817-M819 PolarHBondContact O-N 3.07Å; M819-A821 VanDerWaalsContact C-N 3.33Å; M819-A821 PolarHBondContact O-N 3.18Å; M819-R822 PolarHBondContact O-N 3.38Å; M819-A823 PolarHBondContact O-N 2.96Å |
| 820 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A727 A731 L816 Y817 R822 A823 F824 C882 | A727-A820 WeakPolarHBondContact O-CB 3.47Å; A731-A820 HydrophobicContact CB-CB 4.08Å; L816-A820 WeakPolarHBondContact O-CB 3.38Å; L816-A820 PolarHBondContact O-N 3.1Å; Y817-A820 WeakPolarHBondContact O-CB 3.39Å; Y817-A820 PolarHBondContact O-N 3.28Å; A820-R822 PolarHBondContact O-N 3.5Å; A820-A823 PolarHBondContact O-N 3.06Å; A820-F824 HydrophobicContact CB-CE2 4.38Å; A820-F824 WeakPolarHBondContact O-CD2 3.26Å; A820-F824 PolarHBondContact O-N 3.01Å; A820-C882 HydrophobicContact CB-CB 4.29Å |
| 821 | A | 97.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y817 L818 M819 A823 F824 D825 C882 R883 | Y817-A821 PolarHBondContact O-N 2.87Å; L818-A821 PolarHBondContact O-N 2.91Å; M819-A821 VanDerWaalsContact C-N 3.33Å; M819-A821 PolarHBondContact O-N 3.18Å; A821-A823 VanDerWaalsContact C-N 3.31Å; A821-A823 PolarHBondContact O-N 3.02Å; A821-F824 PolarHBondContact O-N 3.35Å; A821-D825 VanDerWaalsContact O-CG 3.25Å; A821-D825 PolarHBondContact O-N 3.05Å; A821-C882 HydrophobicContact CB-CB 3.9Å; A821-R883 HydrophobicContact CB-CG 3.61Å |
| 822 | R | 97.3 | Very high | 95 | Very high | 174 Ų | 174 | 35.3 Ų | 35.3 | 66% | 0.657 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -60.5 | -40.8 | 177.2 | -70.8 | 175.6 | -165.6 | 177.6 | 4.9 | 112.1 | L818 M819 A820 D825 E826 | L818-R822 WeakPolarHBondContact O-CG 3.48Å; L818-R822 PolarHBondContact O-N 3.33Å; M819-R822 PolarHBondContact O-N 3.38Å; A820-R822 PolarHBondContact O-N 3.5Å; R822-D825 PolarHBondContact O-N 2.81Å; R822-E826 PolarHBondContact O-N 2.92Å |
| 823 | A | 96.5 | Very high | 95 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y723 A727 M819 A820 A821 D825 E826 V827 | Y723-A823 HydrophobicContact CD1-CB 4.38Å; A727-A823 HydrophobicContact CB-CB 3.61Å; M819-A823 PolarHBondContact O-N 2.96Å; A820-A823 PolarHBondContact O-N 3.06Å; A821-A823 VanDerWaalsContact C-N 3.31Å; A821-A823 PolarHBondContact O-N 3.02Å; A823-D825 VanDerWaalsContact C-N 3.33Å; A823-D825 PolarHBondContact O-N 3.19Å; A823-E826 PolarHBondContact O-N 3.29Å; A823-V827 WeakPolarHBondContact O-CG2 3.35Å; A823-V827 PolarHBondContact O-N 3Å |
| 824 | F | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66 | -30.4 | 173.1 | -74.7 | -56 | 0 | 0 | 0 | 113.8 | L724 A727 A820 A821 Q828 L874 A875 N878 | L724-F824 HydrophobicContact CD2-CD1 4.09Å; L724-F824 HydrophobicContact CD2-CE1 3.96Å; A727-F824 HydrophobicContact CB-CD1 3.68Å; A727-F824 HydrophobicContact CB-CD2 3.81Å; A727-F824 HydrophobicContact CB-CE1 3.55Å; A727-F824 HydrophobicContact CB-CE2 3.67Å; A727-F824 HydrophobicContact CB-CG 3.8Å; A727-F824 HydrophobicContact CB-CZ 3.53Å; A820-F824 HydrophobicContact CB-CE2 4.38Å; A820-F824 WeakPolarHBondContact O-CD2 3.26Å; A820-F824 PolarHBondContact O-N 3.01Å; A821-F824 PolarHBondContact O-N 3.35Å; F824-Q828 PolarHBondContact O-N 3.21Å; F824-Q828 PolarHBondContact O-NE2 2.73Å; F824-L874 HydrophobicContact CE1-CD2 4.38Å; F824-A875 HydrophobicContact CD1-CB 4.26Å; F824-N878 HydrophobicContact CD1-CB 4.14Å; F824-N878 HydrophobicContact CD2-CB 3.77Å; F824-N878 HydrophobicContact CE1-CB 3.98Å; F824-N878 HydrophobicContact CE2-CB 3.6Å; F824-N878 HydrophobicContact CG-CB 4.06Å; F824-N878 HydrophobicContact CZ-CB 3.71Å |
| 825 | D | 97 | Very high | 94.8 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 20% | 0.203 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.7 | -41.5 | 171.9 | -64.9 | -37.6 | 0 | 0 | 0 | 111.2 | A821 R822 A823 V827 Q828 N829 S879 R883 | A821-D825 VanDerWaalsContact O-CG 3.25Å; A821-D825 PolarHBondContact O-N 3.05Å; R822-D825 PolarHBondContact O-N 2.81Å; A823-D825 VanDerWaalsContact C-N 3.33Å; A823-D825 PolarHBondContact O-N 3.19Å; D825-V827 VanDerWaalsContact C-N 3.31Å; D825-V827 PolarHBondContact O-N 2.95Å; D825-Q828 WeakPolarHBondContact O-CB 3.41Å; D825-Q828 PolarHBondContact O-N 3.43Å; D825-Q828 VanDerWaalsContact O-N 3.09Å; D825-N829 PolarHBondContact O-N 3.04Å; D825-S879 WeakPolarHBondContact OD1-CB 3.41Å; D825-S879 PolarHBondContact OD1-OG 3.1Å; D825-R883 IonicContact OD1-CZ 2.79Å; D825-R883 IonicContact OD1-NH2 3.51Å; D825-R883 PolarHBondContact OD1-NH2 3.32Å; D825-R883 IonicContact OD2-CZ 3.64Å; D825-R883 IonicContact OD2-NE 3.64Å; D825-R883 IonicContact OD2-NH2 3.88Å; D825-R883 PolarHBondContact OD2-NH2 3.47Å |
| 826 | E | 95.9 | Very high | 94.6 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.5 | -34.8 | 177.3 | -166 | 57.5 | -162.2 | 0 | 0 | 112.1 | Y723 R822 A823 Q828 N829 L830 | Y723-E826 HydrophobicContact CD1-CB 4.26Å; Y723-E826 HydrophobicContact CD1-CG 4.37Å; Y723-E826 HydrophobicContact CE1-CB 4.22Å; Y723-E826 HydrophobicContact CE1-CG 3.99Å; Y723-E826 HydrophobicContact CE2-CG 4.41Å; R822-E826 PolarHBondContact O-N 2.92Å; A823-E826 PolarHBondContact O-N 3.29Å; E826-Q828 VanDerWaalsContact C-N 3.28Å; E826-Q828 PolarHBondContact O-N 3.43Å; E826-N829 PolarHBondContact O-N 3.49Å; E826-N829 PolarHBondContact OE2-ND2 2.9Å; E826-N829 VanDerWaalsContact OE2-ND2 3.13Å; E826-L830 HydrophobicContact CG-CD1 4.36Å; E826-L830 WeakPolarHBondContact O-CB 3.37Å; E826-L830 WeakPolarHBondContact O-CG 3.39Å; E826-L830 PolarHBondContact O-N 3.41Å |
| 827 | V | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.2 | -44.6 | 169.3 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | V720 Y723 L724 A823 D825 N829 L830 I831 A875 | V720-V827 HydrophobicContact CG1-CG1 4.21Å; Y723-V827 VanDerWaalsContact CB-CG2 3.46Å; L724-V827 HydrophobicContact CB-CG2 4.49Å; L724-V827 HydrophobicContact CD1-CG1 4.36Å; L724-V827 HydrophobicContact CD2-CG1 3.88Å; L724-V827 HydrophobicContact CD2-CG2 4.08Å; L724-V827 HydrophobicContact CG-CB 4.5Å; L724-V827 HydrophobicContact CG-CG1 3.83Å; L724-V827 HydrophobicContact CG-CG2 3.83Å; A823-V827 WeakPolarHBondContact O-CG2 3.35Å; A823-V827 PolarHBondContact O-N 3Å; D825-V827 VanDerWaalsContact C-N 3.31Å; D825-V827 PolarHBondContact O-N 2.95Å; V827-N829 PolarHBondContact O-N 3.26Å; V827-L830 PolarHBondContact O-N 3.06Å; V827-I831 HydrophobicContact CG1-CD1 3.6Å; V827-I831 HydrophobicContact CG1-CG1 4.19Å; V827-I831 VanDerWaalsContact O-CG1 3.3Å; V827-I831 WeakPolarHBondContact O-CG1 3.3Å; V827-I831 PolarHBondContact O-N 3.26Å; V827-A875 HydrophobicContact CB-CB 4.01Å; V827-A875 HydrophobicContact CG1-CB 3.58Å |
| 828 | Q | 95.5 | Very high | 93.7 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 179.9 | -70.5 | 169.4 | 68.7 | 0 | 0 | 111.7 | F824 D825 E826 L830 I831 Q832 A875 | F824-Q828 PolarHBondContact O-N 3.21Å; F824-Q828 PolarHBondContact O-NE2 2.73Å; D825-Q828 WeakPolarHBondContact O-CB 3.41Å; D825-Q828 PolarHBondContact O-N 3.43Å; D825-Q828 VanDerWaalsContact O-N 3.09Å; E826-Q828 VanDerWaalsContact C-N 3.28Å; E826-Q828 PolarHBondContact O-N 3.43Å; Q828-L830 VanDerWaalsContact C-N 3.35Å; Q828-I831 PolarHBondContact O-N 3Å; Q828-Q832 WeakPolarHBondContact O-CG 3.33Å; Q828-Q832 PolarHBondContact O-N 2.72Å; Q828-Q832 VanDerWaalsContact O-N 3.09Å; Q828-A875 HydrophobicContact CG-CB 3.99Å |
| 829 | N | 93.3 | Very high | 93.3 | Very high | 73 Ų | 73 | 47.6 Ų | 47.6 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 175.8 | -66 | -26.5 | 0 | 0 | 0 | 111.3 | D825 E826 V827 Q832 K833 | D825-N829 PolarHBondContact O-N 3.04Å; E826-N829 PolarHBondContact O-N 3.49Å; E826-N829 PolarHBondContact OE2-ND2 2.9Å; E826-N829 VanDerWaalsContact OE2-ND2 3.13Å; V827-N829 PolarHBondContact O-N 3.26Å; N829-Q832 PolarHBondContact O-N 2.94Å; N829-K833 WeakPolarHBondContact O-CG 3.45Å; N829-K833 PolarHBondContact O-N 3.45Å; N829-K833 VanDerWaalsContact O-N 3.15Å |
| 830 | L | 93.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 177.9 | -73.9 | 171.2 | 0 | 0 | 0 | 111.6 | V720 Y723 E826 V827 Q828 Q832 K833 T834 | V720-L830 HydrophobicContact CG2-CB 3.68Å; Y723-L830 HydrophobicContact CD2-CD1 3.52Å; Y723-L830 HydrophobicContact CE2-CD1 3.84Å; Y723-L830 HydrophobicContact CG-CD1 4.31Å; E826-L830 HydrophobicContact CG-CD1 4.36Å; E826-L830 WeakPolarHBondContact O-CB 3.37Å; E826-L830 WeakPolarHBondContact O-CG 3.39Å; E826-L830 PolarHBondContact O-N 3.41Å; V827-L830 PolarHBondContact O-N 3.06Å; Q828-L830 VanDerWaalsContact C-N 3.35Å; L830-Q832 VanDerWaalsContact C-N 3.33Å; L830-Q832 PolarHBondContact O-N 3.02Å; L830-K833 CarbonylContact O-C 3.59Å; L830-K833 WeakPolarHBondContact O-CB 3.43Å; L830-K833 PolarHBondContact O-N 3.47Å; L830-K833 VanDerWaalsContact O-N 3.16Å; L830-T834 WeakPolarHBondContact O-CB 3.43Å; L830-T834 PolarHBondContact O-N 3.24Å; L830-T834 PolarHBondContact O-OG1 3.35Å |
| 831 | I | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 178.1 | -70.3 | 170.4 | 0 | 0 | 0 | 111.3 | V720 V827 Q828 K833 T834 Q835 L868 L871 Q872 | V720-I831 HydrophobicContact CB-CG1 4.4Å; V720-I831 HydrophobicContact CG1-CD1 4.02Å; V720-I831 HydrophobicContact CG1-CG1 3.76Å; V720-I831 HydrophobicContact CG2-CG1 3.68Å; V827-I831 HydrophobicContact CG1-CD1 3.6Å; V827-I831 HydrophobicContact CG1-CG1 4.19Å; V827-I831 VanDerWaalsContact O-CG1 3.3Å; V827-I831 WeakPolarHBondContact O-CG1 3.3Å; V827-I831 PolarHBondContact O-N 3.26Å; Q828-I831 PolarHBondContact O-N 3Å; I831-K833 VanDerWaalsContact C-N 3.34Å; I831-K833 PolarHBondContact O-N 3.29Å; I831-T834 PolarHBondContact O-N 3.48Å; I831-Q835 HydrophobicContact CG2-CG 4.26Å; I831-Q835 WeakPolarHBondContact O-CB 3.37Å; I831-Q835 WeakPolarHBondContact O-CG 3.47Å; I831-Q835 PolarHBondContact O-N 2.79Å; I831-L868 HydrophobicContact CG1-CD2 4.33Å; I831-L868 HydrophobicContact CG2-CD2 4.25Å; I831-L871 HydrophobicContact CD1-CB 3.94Å; I831-Q872 HydrophobicContact CD1-CB 4.03Å; I831-Q872 HydrophobicContact CG2-CB 4.03Å; I831-Q872 HydrophobicContact CG2-CG 4.21Å |
| 832 | Q | 92.8 | Very high | 91.3 | Very high | 107 Ų | 107 | 50.3 Ų | 50.3 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.6 | -44 | 175.2 | -72.8 | 176.6 | -2.5 | 0 | 0 | 111.7 | Q828 N829 L830 Q835 Y836 | Q828-Q832 WeakPolarHBondContact O-CG 3.33Å; Q828-Q832 PolarHBondContact O-N 2.72Å; Q828-Q832 VanDerWaalsContact O-N 3.09Å; N829-Q832 PolarHBondContact O-N 2.94Å; L830-Q832 VanDerWaalsContact C-N 3.33Å; L830-Q832 PolarHBondContact O-N 3.02Å; Q832-Q835 PolarHBondContact O-N 3.4Å; Q832-Y836 PolarHBondContact O-N 2.89Å |
| 833 | K | 90.2 | Very high | 90.6 | Very high | 96 Ų | 96 | 46.6 Ų | 46.6 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 173.7 | -68.8 | 172 | -177 | 171.9 | 0 | 111.5 | N829 L830 I831 Q835 Y836 L837 | N829-K833 WeakPolarHBondContact O-CG 3.45Å; N829-K833 PolarHBondContact O-N 3.45Å; N829-K833 VanDerWaalsContact O-N 3.15Å; L830-K833 CarbonylContact O-C 3.59Å; L830-K833 WeakPolarHBondContact O-CB 3.43Å; L830-K833 PolarHBondContact O-N 3.47Å; L830-K833 VanDerWaalsContact O-N 3.16Å; I831-K833 VanDerWaalsContact C-N 3.34Å; I831-K833 PolarHBondContact O-N 3.29Å; K833-Q835 PolarHBondContact O-N 3.14Å; K833-Y836 PolarHBondContact O-N 3.38Å; K833-L837 WeakPolarHBondContact O-CB 3.43Å; K833-L837 VanDerWaalsContact O-CG 3.3Å; K833-L837 WeakPolarHBondContact O-CG 3.43Å; K833-L837 PolarHBondContact O-N 3.23Å |
| 834 | T | 89.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | F713 H716 L717 L830 I831 L837 K838 L868 | F713-T834 HydrophobicContact CD2-CG2 3.84Å; F713-T834 HydrophobicContact CE2-CG2 3.53Å; F713-T834 HydrophobicContact CZ-CG2 4.44Å; H716-T834 WeakPolarHBondContact CB-OG1 3.47Å; L717-T834 HydrophobicContact CB-CG2 4.47Å; L830-T834 WeakPolarHBondContact O-CB 3.43Å; L830-T834 PolarHBondContact O-N 3.24Å; L830-T834 PolarHBondContact O-OG1 3.35Å; I831-T834 PolarHBondContact O-N 3.48Å; T834-L837 PolarHBondContact O-N 2.99Å; T834-K838 WeakPolarHBondContact O-CB 3.39Å; T834-K838 PolarHBondContact O-N 3.45Å; T834-L868 HydrophobicContact CG2-CD1 4.21Å; T834-L868 HydrophobicContact CG2-CD2 4.2Å |
| 835 | Q | 90.5 | Very high | 88.4 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.2 | -75.2 | 171.6 | -14.9 | 0 | 0 | 111.6 | I831 Q832 K833 K838 S839 | I831-Q835 HydrophobicContact CG2-CG 4.26Å; I831-Q835 WeakPolarHBondContact O-CB 3.37Å; I831-Q835 WeakPolarHBondContact O-CG 3.47Å; I831-Q835 PolarHBondContact O-N 2.79Å; Q832-Q835 PolarHBondContact O-N 3.4Å; K833-Q835 PolarHBondContact O-N 3.14Å; Q835-K838 WeakPolarHBondContact O-CB 3.35Å; Q835-K838 PolarHBondContact O-N 3.39Å; Q835-S839 PolarHBondContact O-N 3.22Å; Q835-S839 PolarHBondContact O-OG 3.08Å |
| 836 | Y | 89.2 | Confident | 87.4 | Confident | 150 Ų | 150 | 50.3 Ų | 50.3 | 59% | 0.588 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.8 | -43.1 | 175.3 | 175.9 | -109.8 | 0 | 0 | 0 | 112.6 | Q832 K833 K838 S839 I840 | Q832-Y836 PolarHBondContact O-N 2.89Å; K833-Y836 PolarHBondContact O-N 3.38Å; Y836-K838 VanDerWaalsContact C-N 3.28Å; Y836-K838 PolarHBondContact O-N 3.36Å; Y836-S839 PolarHBondContact O-N 3.23Å; Y836-S839 PolarHBondContact O-OG 3.32Å; Y836-I840 HydrophobicContact CD1-CD1 3.72Å; Y836-I840 HydrophobicContact CD2-CD1 4.18Å; Y836-I840 HydrophobicContact CE1-CD1 3.2Å; Y836-I840 HydrophobicContact CE1-CG1 4.45Å; Y836-I840 HydrophobicContact CE2-CD1 3.71Å; Y836-I840 HydrophobicContact CE2-CG1 4.23Å; Y836-I840 HydrophobicContact CG-CD1 4.2Å; Y836-I840 WeakPolarHBondContact O-CG1 3.5Å; Y836-I840 PolarHBondContact O-N 3.02Å; Y836-I840 WeakPolarHBondContact OH-CD1 3.43Å |
| 837 | L | 86 | Confident | 86.5 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 173.9 | -71.7 | 173.5 | 0 | 0 | 0 | 111.6 | H716 K833 T834 G841 | H716-L837 HydrophobicContact CB-CD1 4.34Å; K833-L837 WeakPolarHBondContact O-CB 3.43Å; K833-L837 VanDerWaalsContact O-CG 3.3Å; K833-L837 WeakPolarHBondContact O-CG 3.43Å; K833-L837 PolarHBondContact O-N 3.23Å; T834-L837 PolarHBondContact O-N 2.99Å; L837-G841 PolarHBondContact O-N 2.81Å |
| 838 | K | 86.9 | Confident | 85.1 | Confident | 59 Ų | 59 | 61.7 Ų | 61.7 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -52.7 | 173.6 | -175 | 170.2 | 170.5 | 166.9 | 0 | 111 | I706 F713 T834 Q835 Y836 I840 G841 E842 | I706-K838 HydrophobicContact CD1-CB 4.23Å; I706-K838 HydrophobicContact CD1-CG 4.12Å; F713-K838 HydrophobicContact CD2-CB 4.18Å; F713-K838 HydrophobicContact CE2-CB 3.8Å; F713-K838 HydrophobicContact CE2-CD 4.37Å; F713-K838 HydrophobicContact CE2-CG 4.29Å; T834-K838 WeakPolarHBondContact O-CB 3.39Å; T834-K838 PolarHBondContact O-N 3.45Å; Q835-K838 WeakPolarHBondContact O-CB 3.35Å; Q835-K838 PolarHBondContact O-N 3.39Å; Y836-K838 VanDerWaalsContact C-N 3.28Å; Y836-K838 PolarHBondContact O-N 3.36Å; K838-I840 PolarHBondContact O-N 3.43Å; K838-G841 PolarHBondContact O-N 3.44Å; K838-E842 WeakPolarHBondContact CE-OE1 3.42Å; K838-E842 HydrophobicContact CG-CG 4.32Å; K838-E842 WeakPolarHBondContact CG-OE1 3.47Å; K838-E842 IonicContact NZ-OE1 3.95Å; K838-E842 WeakPolarHBondContact O-CB 2.81Å; K838-E842 VanDerWaalsContact O-CG 3.27Å; K838-E842 WeakPolarHBondContact O-CG 3.39Å; K838-E842 PolarHBondContact O-N 3.01Å |
| 839 | S | 86.9 | Confident | 83.8 | Confident | 58 Ų | 58 | 60.7 Ų | 60.7 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | -179.9 | 56.5 | 0 | 0 | 0 | 0 | 113 | Q835 Y836 E843 | Q835-S839 PolarHBondContact O-N 3.22Å; Q835-S839 PolarHBondContact O-OG 3.08Å; Y836-S839 PolarHBondContact O-N 3.23Å; Y836-S839 PolarHBondContact O-OG 3.32Å; S839-E843 WeakPolarHBondContact O-CB 3.48Å; S839-E843 PolarHBondContact O-N 2.89Å |
| 840 | I | 85.1 | Confident | 82.6 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 175.5 | -69.1 | 163.9 | 0 | 0 | 0 | 111.1 | Y836 K838 E842 E843 K844 | Y836-I840 HydrophobicContact CD1-CD1 3.72Å; Y836-I840 HydrophobicContact CD2-CD1 4.18Å; Y836-I840 HydrophobicContact CE1-CD1 3.2Å; Y836-I840 HydrophobicContact CE1-CG1 4.45Å; Y836-I840 HydrophobicContact CE2-CD1 3.71Å; Y836-I840 HydrophobicContact CE2-CG1 4.23Å; Y836-I840 HydrophobicContact CG-CD1 4.2Å; Y836-I840 WeakPolarHBondContact O-CG1 3.5Å; Y836-I840 PolarHBondContact O-N 3.02Å; Y836-I840 WeakPolarHBondContact OH-CD1 3.43Å; K838-I840 PolarHBondContact O-N 3.43Å; I840-E842 VanDerWaalsContact C-N 3.31Å; I840-E843 PolarHBondContact O-N 3.01Å; I840-K844 HydrophobicContact CG2-CD 4.13Å; I840-K844 HydrophobicContact CG2-CG 4.36Å; I840-K844 WeakPolarHBondContact O-CB 3.31Å; I840-K844 WeakPolarHBondContact O-CG 3.38Å; I840-K844 PolarHBondContact O-N 3.2Å |
| 841 | G | 78.8 | Confident | 81.2 | Confident | 5 Ų | 5 | 67 Ų | 67 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L837 K838 K844 L845 | L837-G841 PolarHBondContact O-N 2.81Å; K838-G841 PolarHBondContact O-N 3.44Å; G841-K844 PolarHBondContact O-N 3.33Å; G841-L845 VanDerWaalsContact O-CB 3.23Å; G841-L845 WeakPolarHBondContact O-CB 3.39Å; G841-L845 PolarHBondContact O-N 2.84Å |
| 842 | E | 83.2 | Confident | 79.8 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 21% | 0.21 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 174.2 | -76.7 | 177 | 173.7 | 0 | 0 | 112.1 | K838 I840 L845 L846 L855 T859 | K838-E842 WeakPolarHBondContact CE-OE1 3.42Å; K838-E842 HydrophobicContact CG-CG 4.32Å; K838-E842 WeakPolarHBondContact CG-OE1 3.47Å; K838-E842 IonicContact NZ-OE1 3.95Å; K838-E842 WeakPolarHBondContact O-CB 2.81Å; K838-E842 VanDerWaalsContact O-CG 3.27Å; K838-E842 WeakPolarHBondContact O-CG 3.39Å; K838-E842 PolarHBondContact O-N 3.01Å; I840-E842 VanDerWaalsContact C-N 3.31Å; E842-L845 WeakPolarHBondContact O-CB 3.4Å; E842-L845 PolarHBondContact O-N 3.06Å; E842-L846 WeakPolarHBondContact O-CB 3.5Å; E842-L846 WeakPolarHBondContact O-CD1 3.42Å; E842-L846 WeakPolarHBondContact O-CG 3.17Å; E842-L846 PolarHBondContact O-N 3.31Å; E842-L855 HydrophobicContact CB-CD1 3.79Å; E842-L855 HydrophobicContact CB-CD2 4.05Å; E842-L855 HydrophobicContact CB-CG 4.26Å; E842-L855 HydrophobicContact CG-CD1 3.71Å; E842-L855 HydrophobicContact CG-CD2 3.91Å; E842-L855 HydrophobicContact CG-CG 3.83Å; E842-T859 HydrophobicContact CG-CG2 3.36Å; E842-T859 WeakPolarHBondContact OE1-CG2 3.24Å |
| 843 | E | 83 | Confident | 78.2 | Confident | 95 Ų | 95 | 71.5 Ų | 71.5 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 178.5 | -171.8 | -174.4 | -179.5 | 0 | 0 | 112 | S839 I840 L845 L846 R847 | S839-E843 WeakPolarHBondContact O-CB 3.48Å; S839-E843 PolarHBondContact O-N 2.89Å; I840-E843 PolarHBondContact O-N 3.01Å; E843-L845 VanDerWaalsContact C-N 3.29Å; E843-L845 PolarHBondContact O-N 3.47Å; E843-L846 PolarHBondContact O-N 3.04Å; E843-R847 WeakPolarHBondContact O-CG 3.45Å; E843-R847 PolarHBondContact O-N 3.13Å; E843-R847 IonicContact OE1-CZ 3.43Å; E843-R847 IonicContact OE1-NE 3.54Å; E843-R847 IonicContact OE1-NH2 2.65Å; E843-R847 PolarHBondContact OE1-NH2 3.14Å |
| 844 | K | 75.5 | Confident | 76.8 | Confident | 84 Ų | 84 | 67 Ų | 67 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 175 | -75.5 | 179.1 | -178.4 | 178.2 | 0 | 111.4 | M705 I840 G841 R847 F848 | M705-K844 HydrophobicContact CE-CB 4.31Å; I840-K844 HydrophobicContact CG2-CD 4.13Å; I840-K844 HydrophobicContact CG2-CG 4.36Å; I840-K844 WeakPolarHBondContact O-CB 3.31Å; I840-K844 WeakPolarHBondContact O-CG 3.38Å; I840-K844 PolarHBondContact O-N 3.2Å; G841-K844 PolarHBondContact O-N 3.33Å; K844-R847 PolarHBondContact O-N 3.15Å; K844-F848 WeakPolarHBondContact O-CB 3.13Å; K844-F848 PolarHBondContact O-N 3.16Å |
| 845 | L | 72.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 178.5 | -163.7 | 80.5 | 0 | 0 | 0 | 111.2 | H707 G841 E842 E843 R847 F848 I849 L855 F858 | H707-L845 WeakPolarHBondContact ND1-CD1 3.46Å; G841-L845 VanDerWaalsContact O-CB 3.23Å; G841-L845 WeakPolarHBondContact O-CB 3.39Å; G841-L845 PolarHBondContact O-N 2.84Å; E842-L845 WeakPolarHBondContact O-CB 3.4Å; E842-L845 PolarHBondContact O-N 3.06Å; E843-L845 VanDerWaalsContact C-N 3.29Å; E843-L845 PolarHBondContact O-N 3.47Å; L845-R847 VanDerWaalsContact C-N 3.32Å; L845-R847 PolarHBondContact O-N 3.47Å; L845-F848 PolarHBondContact O-N 3.4Å; L845-F848 VanDerWaalsContact O-N 3.12Å; L845-I849 HydrophobicContact CD1-CD1 3.94Å; L845-I849 HydrophobicContact CD1-CG1 4.43Å; L845-I849 HydrophobicContact CD2-CD1 3.8Å; L845-I849 HydrophobicContact CG-CD1 3.5Å; L845-I849 HydrophobicContact CG-CG1 4.1Å; L845-I849 WeakPolarHBondContact O-CB 3.05Å; L845-I849 VanDerWaalsContact O-CG1 3.32Å; L845-I849 WeakPolarHBondContact O-CG1 3.31Å; L845-I849 PolarHBondContact O-N 2.79Å; L845-L855 HydrophobicContact CB-CD1 4.35Å; L845-L855 HydrophobicContact CD2-CD1 3.75Å; L845-F858 HydrophobicContact CD1-CD1 4.47Å; L845-F858 HydrophobicContact CD1-CG 4.43Å; L845-F858 HydrophobicContact CD2-CB 3.45Å; L845-F858 VanDerWaalsContact CD2-CB 3.45Å; L845-F858 HydrophobicContact CD2-CD1 4.32Å; L845-F858 HydrophobicContact CD2-CD2 3.43Å; L845-F858 VanDerWaalsContact CD2-CD2 3.43Å; L845-F858 HydrophobicContact CD2-CE2 4.16Å; L845-F858 HydrophobicContact CD2-CG 3.51Å; L845-F858 HydrophobicContact CG-CD2 4.49Å |
| 846 | L | 77.1 | Confident | 74.9 | Confident | 43 Ų | 43 | 68.8 Ų | 68.8 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 174.6 | -88.9 | 156.2 | 0 | 0 | 0 | 112.2 | E842 E843 F848 Q850 H852 L855 | E842-L846 WeakPolarHBondContact O-CB 3.5Å; E842-L846 WeakPolarHBondContact O-CD1 3.42Å; E842-L846 WeakPolarHBondContact O-CG 3.17Å; E842-L846 PolarHBondContact O-N 3.31Å; E843-L846 PolarHBondContact O-N 3.04Å; L846-F848 VanDerWaalsContact C-N 3.31Å; L846-F848 PolarHBondContact O-N 3.1Å; L846-Q850 VanDerWaalsContact O-CA 3.28Å; L846-Q850 WeakPolarHBondContact O-CA 3.15Å; L846-Q850 PolarHBondContact O-N 3.41Å; L846-H852 HydrophobicContact CD2-CB 4.44Å; L846-H852 WeakPolarHBondContact CD2-CE1 3.09Å; L846-H852 VanDerWaalsContact CD2-ND1 3.26Å; L846-H852 WeakPolarHBondContact CD2-ND1 3.47Å; L846-L855 HydrophobicContact CD1-CD1 4.34Å; L846-L855 HydrophobicContact CD1-CD2 4Å; L846-L855 HydrophobicContact CG-CD1 4.26Å |
| 847 | R | 75.8 | Confident | 74.2 | Confident | 177 Ų | 177 | 62 Ų | 62 | 67% | 0.668 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.9 | -33.9 | 174.7 | -69.7 | 176.1 | -170.9 | -166 | 3.3 | 112.5 | E843 K844 L845 | E843-R847 WeakPolarHBondContact O-CG 3.45Å; E843-R847 PolarHBondContact O-N 3.13Å; E843-R847 IonicContact OE1-CZ 3.43Å; E843-R847 IonicContact OE1-NE 3.54Å; E843-R847 IonicContact OE1-NH2 2.65Å; E843-R847 PolarHBondContact OE1-NH2 3.14Å; K844-R847 PolarHBondContact O-N 3.15Å; L845-R847 VanDerWaalsContact C-N 3.32Å; L845-R847 PolarHBondContact O-N 3.47Å |
| 848 | F | 67 | Low | 73.5 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.8 | -48.9 | 178.9 | -179.1 | -100.7 | 0 | 0 | 0 | 112.4 | K844 L845 L846 | K844-F848 WeakPolarHBondContact O-CB 3.13Å; K844-F848 PolarHBondContact O-N 3.16Å; L845-F848 PolarHBondContact O-N 3.4Å; L845-F848 VanDerWaalsContact O-N 3.12Å; L846-F848 VanDerWaalsContact C-N 3.31Å; L846-F848 PolarHBondContact O-N 3.1Å |
| 849 | I | 67.9 | Low | 72.9 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -79.4 | -25.6 | -175.5 | -60.4 | -178.1 | 0 | 0 | 0 | 111.3 | L845 S851 F858 | L845-I849 HydrophobicContact CD1-CD1 3.94Å; L845-I849 HydrophobicContact CD1-CG1 4.43Å; L845-I849 HydrophobicContact CD2-CD1 3.8Å; L845-I849 HydrophobicContact CG-CD1 3.5Å; L845-I849 HydrophobicContact CG-CG1 4.1Å; L845-I849 WeakPolarHBondContact O-CB 3.05Å; L845-I849 VanDerWaalsContact O-CG1 3.32Å; L845-I849 WeakPolarHBondContact O-CG1 3.31Å; L845-I849 PolarHBondContact O-N 2.79Å; I849-S851 PolarHBondContact O-N 2.86Å; I849-S851 VanDerWaalsContact O-N 3.07Å; I849-F858 HydrophobicContact CD1-CD2 4.07Å; I849-F858 HydrophobicContact CD1-CE2 3.43Å; I849-F858 VanDerWaalsContact CD1-CE2 3.43Å; I849-F858 HydrophobicContact CD1-CZ 3.81Å |
| 850 | Q | 68.4 | Low | 72.6 | Confident | 179 Ų | 179 | 57.7 Ų | 57.7 | 84% | 0.836 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 56.8 | 16.1 | -171.6 | -56.5 | -178.2 | -11.2 | 0 | 0 | 114 | L846 | L846-Q850 VanDerWaalsContact O-CA 3.28Å; L846-Q850 WeakPolarHBondContact O-CA 3.15Å; L846-Q850 PolarHBondContact O-N 3.41Å |
| 851 | S | 64.6 | Low | 72.5 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | trans | -146 | 141.4 | -178.6 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | I849 I853 | I849-S851 PolarHBondContact O-N 2.86Å; I849-S851 VanDerWaalsContact O-N 3.07Å; S851-I853 PolarHBondContact O-N 3.29Å; S851-I853 VanDerWaalsContact OG-CB 3.31Å; S851-I853 WeakPolarHBondContact OG-CB 3.37Å; S851-I853 WeakPolarHBondContact OG-CD1 3.42Å; S851-I853 WeakPolarHBondContact OG-CG1 3.4Å; S851-I853 PolarHBondContact OG-N 3.04Å | ||
| 852 | H | 64.5 | Low | 72.8 | Confident | 144 Ų | 144 | 56.2 Ų | 56.2 | 67% | 0.667 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -76.1 | -9 | 175.6 | -71.5 | -83.1 | 0 | 0 | 0 | 113.4 | L846 A854 L855 | L846-H852 HydrophobicContact CD2-CB 4.44Å; L846-H852 WeakPolarHBondContact CD2-CE1 3.09Å; L846-H852 VanDerWaalsContact CD2-ND1 3.26Å; L846-H852 WeakPolarHBondContact CD2-ND1 3.47Å; H852-A854 VanDerWaalsContact C-N 3.27Å; H852-A854 PolarHBondContact O-N 3.44Å; H852-L855 PolarHBondContact O-N 2.84Å |
| 853 | I | 59.9 | Low | 72.9 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -39.8 | -165.7 | -81.8 | 172.3 | 0 | 0 | 0 | 113.8 | N368 S851 | N368-I853 HydrophobicContact CB-CG2 3.4Å; N368-I853 VanDerWaalsContact CB-CG2 3.4Å; N368-I853 VanDerWaalsContact CB-O 3.27Å; N368-I853 WeakPolarHBondContact CB-O 3.4Å; N368-I853 VanDerWaalsContact CG-CG2 3.49Å; N368-I853 PolarHBondContact ND2-O 3.5Å; N368-I853 WeakPolarHBondContact OD1-CG2 3.45Å; S851-I853 PolarHBondContact O-N 3.29Å; S851-I853 VanDerWaalsContact OG-CB 3.31Å; S851-I853 WeakPolarHBondContact OG-CB 3.37Å; S851-I853 WeakPolarHBondContact OG-CD1 3.42Å; S851-I853 WeakPolarHBondContact OG-CG1 3.4Å; S851-I853 PolarHBondContact OG-N 3.04Å |
| 854 | A | 60.9 | Low | 73.2 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 10.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H852 P856 L857 F858 | H852-A854 VanDerWaalsContact C-N 3.27Å; H852-A854 PolarHBondContact O-N 3.44Å; A854-P856 VanDerWaalsContact C-CD 3.41Å; A854-P856 VanDerWaalsContact C-N 3.31Å; A854-P856 VanDerWaalsContact O-N 3.1Å; A854-L857 HydrophobicContact CB-CB 4.49Å; A854-L857 HydrophobicContact CB-CD1 3.99Å; A854-L857 WeakPolarHBondContact O-CB 3.43Å; A854-L857 PolarHBondContact O-N 2.76Å; A854-F858 HydrophobicContact CB-CD2 3.91Å; A854-F858 HydrophobicContact CB-CE2 3.54Å; A854-F858 WeakPolarHBondContact O-CD2 3.01Å |
| 855 | L | 70 | Confident | 73.8 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -50.1 | -40.9 | -173.6 | -163.3 | 67.9 | 0 | 0 | 0 | 114.5 | E842 L845 L846 H852 L857 F858 T859 | E842-L855 HydrophobicContact CB-CD1 3.79Å; E842-L855 HydrophobicContact CB-CD2 4.05Å; E842-L855 HydrophobicContact CB-CG 4.26Å; E842-L855 HydrophobicContact CG-CD1 3.71Å; E842-L855 HydrophobicContact CG-CD2 3.91Å; E842-L855 HydrophobicContact CG-CG 3.83Å; L845-L855 HydrophobicContact CB-CD1 4.35Å; L845-L855 HydrophobicContact CD2-CD1 3.75Å; L846-L855 HydrophobicContact CD1-CD1 4.34Å; L846-L855 HydrophobicContact CD1-CD2 4Å; L846-L855 HydrophobicContact CG-CD1 4.26Å; H852-L855 PolarHBondContact O-N 2.84Å; L855-L857 PolarHBondContact O-N 3.44Å; L855-F858 PolarHBondContact O-N 2.85Å; L855-T859 HydrophobicContact CD1-CG2 4.47Å; L855-T859 HydrophobicContact CG-CG2 4.4Å; L855-T859 WeakPolarHBondContact O-CG2 3.2Å; L855-T859 PolarHBondContact O-N 3.18Å; L855-T859 PolarHBondContact O-OG1 3.45Å; L855-T859 VanDerWaalsContact O-OG1 3.05Å |
| 856 | P | 70.8 | Confident | 74.6 | Confident | 75 Ų | 75 | 47.5 Ų | 47.5 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.9 | -23.1 | 35.9 | 0 | 0 | 0 | 113.8 | A854 F858 T859 E860 | A854-P856 VanDerWaalsContact C-CD 3.41Å; A854-P856 VanDerWaalsContact C-N 3.31Å; A854-P856 VanDerWaalsContact O-N 3.1Å; P856-F858 PolarHBondContact O-N 2.97Å; P856-F858 VanDerWaalsContact O-N 3.12Å; P856-T859 PolarHBondContact O-N 3.24Å; P856-T859 PolarHBondContact O-OG1 3.4Å; P856-E860 WeakPolarHBondContact O-CG 3.45Å; P856-E860 PolarHBondContact O-N 2.85Å |
| 857 | L | 73 | Confident | 75.2 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -25.7 | -179.6 | -72.6 | 165.8 | 0 | 0 | 0 | 113.2 | T365 F369 L380 S384 F388 A854 L855 | T365-L857 HydrophobicContact CG2-CD1 4.13Å; T365-L857 HydrophobicContact CG2-CD2 3.54Å; T365-L857 HydrophobicContact CG2-CG 3.92Å; F369-L857 HydrophobicContact CB-CD1 4.04Å; F369-L857 HydrophobicContact CD2-CD1 4.29Å; L380-L857 HydrophobicContact CD2-CB 4.23Å; L380-L857 HydrophobicContact CD2-CD1 4.05Å; S384-L857 WeakPolarHBondContact CB-O 3.46Å; S384-L857 PolarHBondContact OG-O 3.33Å; F388-L857 HydrophobicContact CB-CD2 4.05Å; A854-L857 HydrophobicContact CB-CB 4.49Å; A854-L857 HydrophobicContact CB-CD1 3.99Å; A854-L857 WeakPolarHBondContact O-CB 3.43Å; A854-L857 PolarHBondContact O-N 2.76Å; L855-L857 PolarHBondContact O-N 3.44Å |
| 858 | F | 71.8 | Confident | 75.9 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -95.3 | -23.4 | -176.5 | -71.8 | -73.2 | 0 | 0 | 0 | 114.4 | W372 L380 H707 L845 I849 A854 L855 P856 | W372-F858 AromaticContact CD1-CE2 3.94Å; W372-F858 AromaticContact CD1-CZ 3.72Å; W372-F858 HydrophobicContact CG-CZ 4.42Å; W372-F858 AromaticContact NE1-CZ 3.44Å; L380-F858 HydrophobicContact CD1-CD1 3.5Å; L380-F858 VanDerWaalsContact CD1-CD1 3.5Å; L380-F858 HydrophobicContact CD1-CE1 3.08Å; L380-F858 HydrophobicContact CD1-CE2 4.19Å; L380-F858 HydrophobicContact CD1-CG 4.31Å; L380-F858 HydrophobicContact CD1-CZ 3.43Å; L380-F858 VanDerWaalsContact CD1-CZ 3.43Å; L380-F858 HydrophobicContact CD2-CZ 4.38Å; L380-F858 HydrophobicContact CG-CE1 4.37Å; L380-F858 HydrophobicContact CG-CZ 4.38Å; H707-F858 HydrophobicContact CB-CB 4.04Å; H707-F858 HydrophobicContact CB-CD1 3.37Å; H707-F858 HydrophobicContact CB-CE1 4.17Å; H707-F858 HydrophobicContact CB-CG 4.17Å; H707-F858 AromaticContact CG-CD1 3.7Å; L845-F858 HydrophobicContact CD1-CD1 4.47Å; L845-F858 HydrophobicContact CD1-CG 4.43Å; L845-F858 HydrophobicContact CD2-CB 3.45Å; L845-F858 VanDerWaalsContact CD2-CB 3.45Å; L845-F858 HydrophobicContact CD2-CD1 4.32Å; L845-F858 HydrophobicContact CD2-CD2 3.43Å; L845-F858 VanDerWaalsContact CD2-CD2 3.43Å; L845-F858 HydrophobicContact CD2-CE2 4.16Å; L845-F858 HydrophobicContact CD2-CG 3.51Å; L845-F858 HydrophobicContact CG-CD2 4.49Å; I849-F858 HydrophobicContact CD1-CD2 4.07Å; I849-F858 HydrophobicContact CD1-CE2 3.43Å; I849-F858 VanDerWaalsContact CD1-CE2 3.43Å; I849-F858 HydrophobicContact CD1-CZ 3.81Å; A854-F858 HydrophobicContact CB-CD2 3.91Å; A854-F858 HydrophobicContact CB-CE2 3.54Å; A854-F858 WeakPolarHBondContact O-CD2 3.01Å; L855-F858 PolarHBondContact O-N 2.85Å; P856-F858 PolarHBondContact O-N 2.97Å; P856-F858 VanDerWaalsContact O-N 3.12Å |
| 859 | T | 74.2 | Confident | 77.1 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -100.3 | -12.8 | -170.8 | 58.4 | 0 | 0 | 0 | 0 | 112.7 | I706 F713 E842 L855 P856 | I706-T859 HydrophobicContact CD1-CG2 4.24Å; I706-T859 HydrophobicContact CG2-CG2 4.41Å; F713-T859 WeakPolarHBondContact CE1-O 3.39Å; E842-T859 HydrophobicContact CG-CG2 3.36Å; E842-T859 WeakPolarHBondContact OE1-CG2 3.24Å; L855-T859 HydrophobicContact CD1-CG2 4.47Å; L855-T859 HydrophobicContact CG-CG2 4.4Å; L855-T859 WeakPolarHBondContact O-CG2 3.2Å; L855-T859 PolarHBondContact O-N 3.18Å; L855-T859 PolarHBondContact O-OG1 3.45Å; L855-T859 VanDerWaalsContact O-OG1 3.05Å; P856-T859 PolarHBondContact O-N 3.24Å; P856-T859 PolarHBondContact O-OG1 3.4Å |
| 860 | E | 80 | Confident | 78.3 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 27% | 0.271 | 23% | 0.231 | S | C | . | . | trans | -90.6 | 143.8 | 173.3 | -62.1 | -158 | 133.6 | 0 | 0 | 111.4 | T387 K391 P856 | T387-E860 HydrophobicContact CG2-CB 3.87Å; K391-E860 HydrophobicContact CD-CB 4.46Å; K391-E860 WeakPolarHBondContact CD-OE2 3.42Å; K391-E860 VanDerWaalsContact NZ-CG 3.32Å; K391-E860 IonicContact NZ-OE1 3.26Å; K391-E860 PolarHBondContact NZ-OE1 2.93Å; K391-E860 IonicContact NZ-OE2 2.63Å; K391-E860 PolarHBondContact NZ-OE2 2.99Å; P856-E860 WeakPolarHBondContact O-CG 3.45Å; P856-E860 PolarHBondContact O-N 2.85Å | ||
| 861 | K | 83.7 | Confident | 79.6 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | trans | -123.9 | 154.5 | 175.3 | -59.7 | -70.3 | 179.3 | 167.3 | 0 | 109 | T387 I706 E708 F713 E714 L717 | T387-K861 VanDerWaalsContact CG2-O 3.31Å; T387-K861 WeakPolarHBondContact CG2-O 2.73Å; I706-K861 VanDerWaalsContact O-CE 3.31Å; I706-K861 WeakPolarHBondContact O-CE 3.33Å; I706-K861 PolarHBondContact O-NZ 3.03Å; E708-K861 PolarHBondContact O-NZ 3.36Å; F713-K861 HydrophobicContact CD1-CG 4.47Å; F713-K861 HydrophobicContact CE1-CG 4.01Å; E714-K861 HydrophobicContact CG-CD 4.47Å; E714-K861 IonicContact OE2-NZ 3.34Å; L717-K861 HydrophobicContact CD2-CB 4.17Å; L717-K861 HydrophobicContact CD2-CG 4.33Å | ||
| 862 | L | 84.4 | Confident | 81.1 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -53.9 | 144.1 | 173.1 | -70.8 | 171.5 | 0 | 0 | 0 | 109.8 | T387 M577 Y580 | T387-L862 WeakPolarHBondContact OG1-CD2 3.16Å; T387-L862 WeakPolarHBondContact OG1-CG 3.44Å; T387-L862 PolarHBondContact OG1-N 3.17Å; M577-L862 HydrophobicContact CE-CD1 3.91Å; M577-L862 HydrophobicContact SD-CD1 4.28Å; Y580-L862 HydrophobicContact CD1-CB 3.45Å; Y580-L862 VanDerWaalsContact CD1-CB 3.45Å; Y580-L862 WeakPolarHBondContact CD1-O 3.4Å; Y580-L862 HydrophobicContact CE1-CB 3.96Å; Y580-L862 WeakPolarHBondContact CE1-O 3.42Å; Y580-L862 HydrophobicContact CG-CB 3.92Å; Y580-L862 HydrophobicContact CG-CD1 4.28Å |
| 863 | G | 86.7 | Confident | 82.6 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 142.9 | -170.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 864 | P | 88.5 | Confident | 84.4 | Confident | 10 Ų | 10 | 31 Ų | 31 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | trans | -55.6 | 148.6 | 179.4 | -22.3 | 31.3 | 0 | 0 | 0 | 111.9 | W583 V587 D866 | W583-P864 HydrophobicContact CH2-CG 4.22Å; W583-P864 HydrophobicContact CZ2-CG 3.54Å; V587-P864 HydrophobicContact CG1-CB 4.39Å; V587-P864 HydrophobicContact CG1-CG 4.29Å; V587-P864 HydrophobicContact CG2-CG 4.16Å; P864-D866 PolarHBondContact O-N 2.96Å | ||
| 865 | P | 87.3 | Confident | 86.1 | Confident | 12 Ų | 12 | 30.9 Ų | 30.9 | 8% | 0.078 | 16% | 0.16 | C | C | . | . | trans | -76.2 | 10.9 | -178.7 | 33.8 | -34.5 | 0 | 0 | 0 | 113 | Q394 I395 E924 | Q394-P865 HydrophobicContact CB-CB 4.29Å; Q394-P865 HydrophobicContact CB-CG 4.11Å; Q394-P865 VanDerWaalsContact OE1-CD 3.29Å; I395-P865 HydrophobicContact CD1-CB 4.17Å; I395-P865 HydrophobicContact CG1-CB 3.8Å; I395-P865 HydrophobicContact CG1-CG 4.42Å; P865-E924 HydrophobicContact CG-CB 3.94Å | ||
| 866 | D | 90.7 | Very high | 87.4 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 10% | 0.096 | 18% | 0.182 | C | C | . | . | trans | -74.3 | 132.5 | -173.4 | -57.1 | -38.2 | 0 | 0 | 0 | 111.5 | P864 L871 L923 E924 S925 | P864-D866 PolarHBondContact O-N 2.96Å; D866-L871 HydrophobicContact CB-CD1 4.35Å; D866-L871 HydrophobicContact CB-CD2 3.88Å; D866-L871 HydrophobicContact CB-CG 4.07Å; D866-L923 HydrophobicContact CB-CD2 4.41Å; D866-L923 WeakPolarHBondContact OD1-CB 2.84Å; D866-E924 PolarHBondContact OD1-N 3.38Å; D866-S925 VanDerWaalsContact CG-OG 3.25Å; D866-S925 WeakPolarHBondContact OD1-CB 3.47Å; D866-S925 PolarHBondContact OD1-N 3.09Å; D866-S925 PolarHBondContact OD1-OG 3.35Å; D866-S925 WeakPolarHBondContact OD2-CB 3.47Å; D866-S925 PolarHBondContact OD2-OG 3.46Å | ||
| 867 | Q | 88.5 | Confident | 88.7 | Confident | 127 Ų | 127 | 39.2 Ų | 39.2 | 59% | 0.593 | 18% | 0.179 | S | C | * | . | trans | -75.6 | 143.8 | 176.7 | -54.9 | -166.1 | 15.6 | 0 | 0 | 111.2 | I869 D870 L871 | Q867-I869 HydrophobicContact CB-CG2 4.17Å; Q867-I869 PolarHBondContact O-N 2.82Å; Q867-I869 VanDerWaalsContact O-N 3.13Å; Q867-D870 PolarHBondContact O-N 3.39Å; Q867-L871 WeakPolarHBondContact O-CG 3.48Å; Q867-L871 PolarHBondContact O-N 3.43Å | ||
| 868 | L | 91.1 | Very high | 89.9 | Confident | 32 Ų | 32 | 38.9 Ų | 38.9 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.7 | -34.1 | 176.6 | -82.3 | 163.2 | 0 | 0 | 0 | 112.7 | L717 I831 T834 Q872 | L717-L868 HydrophobicContact CD1-CD2 3.95Å; I831-L868 HydrophobicContact CG1-CD2 4.33Å; I831-L868 HydrophobicContact CG2-CD2 4.25Å; T834-L868 HydrophobicContact CG2-CD1 4.21Å; T834-L868 HydrophobicContact CG2-CD2 4.2Å; L868-Q872 WeakPolarHBondContact O-CB 3.41Å; L868-Q872 PolarHBondContact O-N 3.32Å |
| 869 | I | 91.8 | Very high | 91.1 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 43% | 0.431 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.7 | -38.1 | 179.6 | -159.2 | 156.7 | 0 | 0 | 0 | 112 | Q867 Q872 Q873 | Q867-I869 HydrophobicContact CB-CG2 4.17Å; Q867-I869 PolarHBondContact O-N 2.82Å; Q867-I869 VanDerWaalsContact O-N 3.13Å; I869-Q872 WeakPolarHBondContact O-CB 3.49Å; I869-Q872 PolarHBondContact O-N 3.44Å; I869-Q873 WeakPolarHBondContact O-CG 3.24Å; I869-Q873 PolarHBondContact O-N 3.32Å |
| 870 | D | 93.4 | Very high | 92.2 | Very high | 50 Ų | 50 | 43 Ų | 43 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71 | -42.4 | 177.6 | -60.5 | -35 | 0 | 0 | 0 | 110.2 | Q867 Q872 Q873 L874 F922 L923 | Q867-D870 PolarHBondContact O-N 3.39Å; D870-Q872 VanDerWaalsContact C-N 3.25Å; D870-Q872 PolarHBondContact O-N 3.24Å; D870-Q873 PolarHBondContact O-N 2.92Å; D870-Q873 VanDerWaalsContact O-N 3.16Å; D870-L874 WeakPolarHBondContact O-CB 3.42Å; D870-L874 PolarHBondContact O-N 3.46Å; D870-F922 HydrophobicContact CB-CE1 4.38Å; D870-F922 WeakPolarHBondContact O-CE1 3.33Å; D870-L923 HydrophobicContact CB-CD2 3.84Å |
| 871 | L | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.5 | -39.5 | 172.1 | -64.7 | 179.8 | 0 | 0 | 0 | 111.9 | L724 I831 D866 Q867 L874 A875 L923 Y928 | L724-L871 HydrophobicContact CD1-CB 4.39Å; L724-L871 HydrophobicContact CD1-CD1 4.37Å; L724-L871 HydrophobicContact CD1-CD2 3.92Å; L724-L871 HydrophobicContact CD1-CG 4.46Å; I831-L871 HydrophobicContact CD1-CB 3.94Å; D866-L871 HydrophobicContact CB-CD1 4.35Å; D866-L871 HydrophobicContact CB-CD2 3.88Å; D866-L871 HydrophobicContact CB-CG 4.07Å; Q867-L871 WeakPolarHBondContact O-CG 3.48Å; Q867-L871 PolarHBondContact O-N 3.43Å; L871-L874 PolarHBondContact O-N 2.8Å; L871-A875 WeakPolarHBondContact O-CB 3.38Å; L871-A875 PolarHBondContact O-N 2.66Å; L871-L923 HydrophobicContact CD2-CD1 3.68Å; L871-L923 HydrophobicContact CD2-CD2 4.11Å; L871-Y928 HydrophobicContact CD2-CD2 4.4Å |
| 872 | Q | 96 | Very high | 93.5 | Very high | 42 Ų | 42 | 40 Ų | 40 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -44.5 | 176.3 | -165.5 | 178.6 | 16.8 | 0 | 0 | 111.9 | I831 L868 I869 D870 A875 R876 | I831-Q872 HydrophobicContact CD1-CB 4.03Å; I831-Q872 HydrophobicContact CG2-CB 4.03Å; I831-Q872 HydrophobicContact CG2-CG 4.21Å; L868-Q872 WeakPolarHBondContact O-CB 3.41Å; L868-Q872 PolarHBondContact O-N 3.32Å; I869-Q872 WeakPolarHBondContact O-CB 3.49Å; I869-Q872 PolarHBondContact O-N 3.44Å; D870-Q872 VanDerWaalsContact C-N 3.25Å; D870-Q872 PolarHBondContact O-N 3.24Å; Q872-A875 PolarHBondContact O-N 3.3Å; Q872-R876 WeakPolarHBondContact O-CB 3.47Å; Q872-R876 PolarHBondContact O-N 3.38Å |
| 873 | Q | 96.4 | Very high | 94.1 | Very high | 76 Ų | 76 | 45.7 Ų | 45.7 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64 | -41.8 | 176.8 | -71.7 | -173.4 | 30.3 | 0 | 0 | 111.7 | I869 D870 R876 R877 F922 | I869-Q873 WeakPolarHBondContact O-CG 3.24Å; I869-Q873 PolarHBondContact O-N 3.32Å; D870-Q873 PolarHBondContact O-N 2.92Å; D870-Q873 VanDerWaalsContact O-N 3.16Å; Q873-R876 PolarHBondContact O-N 3.07Å; Q873-R877 WeakPolarHBondContact O-CB 3.3Å; Q873-R877 VanDerWaalsContact O-CG 3.29Å; Q873-R877 WeakPolarHBondContact O-CG 3.39Å; Q873-R877 PolarHBondContact O-N 3.46Å; Q873-F922 HydrophobicContact CB-CE1 4.48Å; Q873-F922 HydrophobicContact CB-CZ 3.97Å |
| 874 | L | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -51.1 | 175.2 | -179.7 | 136.5 | 0 | 0 | 0 | 110.8 | L724 F824 D870 L871 R876 R877 N878 F922 L923 Y928 L930 | L724-L874 HydrophobicContact CD2-CD2 3.87Å; F824-L874 HydrophobicContact CE1-CD2 4.38Å; D870-L874 WeakPolarHBondContact O-CB 3.42Å; D870-L874 PolarHBondContact O-N 3.46Å; L871-L874 PolarHBondContact O-N 2.8Å; L874-R876 VanDerWaalsContact C-N 3.33Å; L874-R876 PolarHBondContact O-N 3.27Å; L874-R877 PolarHBondContact O-N 3.08Å; L874-N878 VanDerWaalsContact O-CB 3.28Å; L874-N878 WeakPolarHBondContact O-CB 3.45Å; L874-N878 PolarHBondContact O-N 3.4Å; L874-F922 HydrophobicContact CB-CD1 4.01Å; L874-F922 HydrophobicContact CB-CE1 3.77Å; L874-F922 HydrophobicContact CD1-CD1 3.84Å; L874-F922 HydrophobicContact CD1-CE1 4.47Å; L874-F922 HydrophobicContact CG-CD1 4.48Å; L874-L923 HydrophobicContact CD1-CD1 3.81Å; L874-L923 HydrophobicContact CD1-CG 3.95Å; L874-Y928 WeakPolarHBondContact CD1-O 3.46Å; L874-L930 HydrophobicContact CD1-CB 4.43Å |
| 875 | A | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L724 F824 V827 Q828 L871 Q872 S879 | L724-A875 HydrophobicContact CD2-CB 4.34Å; F824-A875 HydrophobicContact CD1-CB 4.26Å; V827-A875 HydrophobicContact CB-CB 4.01Å; V827-A875 HydrophobicContact CG1-CB 3.58Å; Q828-A875 HydrophobicContact CG-CB 3.99Å; L871-A875 WeakPolarHBondContact O-CB 3.38Å; L871-A875 PolarHBondContact O-N 2.66Å; Q872-A875 PolarHBondContact O-N 3.3Å; A875-S879 WeakPolarHBondContact O-CB 3.36Å; A875-S879 PolarHBondContact O-N 3.07Å |
| 876 | R | 97.2 | Very high | 95.1 | Very high | 162 Ų | 162 | 46.7 Ų | 46.7 | 61% | 0.611 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59.8 | -49.2 | 176.7 | -176.5 | 179 | 174.9 | -177 | 0.1 | 112.5 | Q872 Q873 L874 I880 | Q872-R876 WeakPolarHBondContact O-CB 3.47Å; Q872-R876 PolarHBondContact O-N 3.38Å; Q873-R876 PolarHBondContact O-N 3.07Å; L874-R876 VanDerWaalsContact C-N 3.33Å; L874-R876 PolarHBondContact O-N 3.27Å; R876-I880 WeakPolarHBondContact O-CG1 3.46Å; R876-I880 PolarHBondContact O-N 2.87Å |
| 877 | R | 97.3 | Very high | 95.2 | Very high | 116 Ų | 116 | 51.2 Ų | 51.2 | 44% | 0.438 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.1 | -42.4 | -178.5 | -70.1 | 175.5 | -177 | -176.4 | 4.4 | 111.5 | Q873 L874 I880 A881 L930 | Q873-R877 WeakPolarHBondContact O-CB 3.3Å; Q873-R877 VanDerWaalsContact O-CG 3.29Å; Q873-R877 WeakPolarHBondContact O-CG 3.39Å; Q873-R877 PolarHBondContact O-N 3.46Å; L874-R877 PolarHBondContact O-N 3.08Å; R877-I880 PolarHBondContact O-N 3.24Å; R877-A881 PolarHBondContact O-N 3.12Å; R877-L930 HydrophobicContact CB-CD1 3.6Å; R877-L930 HydrophobicContact CG-CD1 4.35Å |
| 878 | N | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -36.5 | 178.3 | -76.4 | -0.2 | 0 | 0 | 0 | 112.5 | F824 L874 I880 A881 C882 P929 I931 | F824-N878 HydrophobicContact CD1-CB 4.14Å; F824-N878 HydrophobicContact CD2-CB 3.77Å; F824-N878 HydrophobicContact CE1-CB 3.98Å; F824-N878 HydrophobicContact CE2-CB 3.6Å; F824-N878 HydrophobicContact CG-CB 4.06Å; F824-N878 HydrophobicContact CZ-CB 3.71Å; L874-N878 VanDerWaalsContact O-CB 3.28Å; L874-N878 WeakPolarHBondContact O-CB 3.45Å; L874-N878 PolarHBondContact O-N 3.4Å; N878-I880 PolarHBondContact O-N 3.18Å; N878-A881 PolarHBondContact O-N 3.43Å; N878-C882 VanDerWaalsContact O-CB 3.31Å; N878-C882 WeakPolarHBondContact O-CB 3.27Å; N878-C882 PolarHBondContact O-N 3.13Å; N878-C882 PolarHBondContact O-SG 3.34Å; N878-P929 PolarHBondContact ND2-O 3.23Å; N878-I931 HydrophobicContact CB-CD1 4.48Å; N878-I931 PolarHBondContact OD1-N 3.39Å |
| 879 | S | 97.5 | Very high | 95 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.8 | -50 | 172.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | D825 A875 A881 C882 R883 | D825-S879 WeakPolarHBondContact OD1-CB 3.41Å; D825-S879 PolarHBondContact OD1-OG 3.1Å; A875-S879 WeakPolarHBondContact O-CB 3.36Å; A875-S879 PolarHBondContact O-N 3.07Å; S879-A881 PolarHBondContact O-N 3.07Å; S879-C882 PolarHBondContact O-N 3.41Å; S879-R883 WeakPolarHBondContact O-CG 3.37Å; S879-R883 PolarHBondContact O-N 3.46Å |
| 880 | I | 96.7 | Very high | 94.6 | Very high | 94 Ų | 94 | 53.1 Ų | 53.1 | 48% | 0.482 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 178 | -64.3 | 166.4 | 0 | 0 | 0 | 110.7 | R876 R877 N878 C882 R883 V884 | R876-I880 WeakPolarHBondContact O-CG1 3.46Å; R876-I880 PolarHBondContact O-N 2.87Å; R877-I880 PolarHBondContact O-N 3.24Å; N878-I880 PolarHBondContact O-N 3.18Å; I880-C882 PolarHBondContact O-N 2.8Å; I880-R883 PolarHBondContact O-N 3.4Å; I880-V884 WeakPolarHBondContact O-CG2 3.43Å; I880-V884 PolarHBondContact O-N 3.48Å |
| 881 | A | 95.8 | Very high | 94.2 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R877 N878 S879 V884 L885 I931 L933 | R877-A881 PolarHBondContact O-N 3.12Å; N878-A881 PolarHBondContact O-N 3.43Å; S879-A881 PolarHBondContact O-N 3.07Å; A881-V884 PolarHBondContact O-N 2.98Å; A881-L885 WeakPolarHBondContact O-CG 3.23Å; A881-L885 PolarHBondContact O-N 2.95Å; A881-I931 HydrophobicContact CB-CB 4.01Å; A881-I931 HydrophobicContact CB-CG2 3.87Å; A881-L933 HydrophobicContact CB-CD1 4.44Å; A881-L933 HydrophobicContact CB-CG 4.44Å |
| 882 | C | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 178 | -67.6 | 0 | 0 | 0 | 0 | 112 | Y817 A820 A821 N878 S879 I880 V884 L885 G886 | Y817-C882 WeakPolarHBondContact CB-O 3.22Å; Y817-C882 WeakPolarHBondContact O-CB 3.38Å; A820-C882 HydrophobicContact CB-CB 4.29Å; A821-C882 HydrophobicContact CB-CB 3.9Å; N878-C882 VanDerWaalsContact O-CB 3.31Å; N878-C882 WeakPolarHBondContact O-CB 3.27Å; N878-C882 PolarHBondContact O-N 3.13Å; N878-C882 PolarHBondContact O-SG 3.34Å; S879-C882 PolarHBondContact O-N 3.41Å; I880-C882 PolarHBondContact O-N 2.8Å; C882-V884 PolarHBondContact O-N 3.32Å; C882-L885 PolarHBondContact O-N 3.36Å; C882-G886 PolarHBondContact O-N 2.83Å |
| 883 | R | 96.6 | Very high | 93.1 | Very high | 123 Ų | 123 | 53.3 Ų | 53.3 | 46% | 0.464 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 173 | -71 | 179 | -171.1 | 173.4 | 0.3 | 111.8 | A821 D825 S879 I880 G886 V887 | A821-R883 HydrophobicContact CB-CG 3.61Å; D825-R883 IonicContact OD1-CZ 2.79Å; D825-R883 IonicContact OD1-NH2 3.51Å; D825-R883 PolarHBondContact OD1-NH2 3.32Å; D825-R883 IonicContact OD2-CZ 3.64Å; D825-R883 IonicContact OD2-NE 3.64Å; D825-R883 IonicContact OD2-NH2 3.88Å; D825-R883 PolarHBondContact OD2-NH2 3.47Å; S879-R883 WeakPolarHBondContact O-CG 3.37Å; S879-R883 PolarHBondContact O-N 3.46Å; I880-R883 PolarHBondContact O-N 3.4Å; R883-G886 PolarHBondContact O-N 3.48Å; R883-V887 WeakPolarHBondContact O-CG2 3.46Å; R883-V887 PolarHBondContact O-N 2.99Å; R883-V887 VanDerWaalsContact O-N 3.16Å |
| 884 | V | 95 | Very high | 91.9 | Very high | 40 Ų | 40 | 54.8 Ų | 54.8 | 24% | 0.242 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | I880 A881 C882 G886 V887 C888 R891 L933 | I880-V884 WeakPolarHBondContact O-CG2 3.43Å; I880-V884 PolarHBondContact O-N 3.48Å; A881-V884 PolarHBondContact O-N 2.98Å; C882-V884 PolarHBondContact O-N 3.32Å; V884-G886 VanDerWaalsContact C-N 3.31Å; V884-G886 PolarHBondContact O-N 3.2Å; V884-V887 PolarHBondContact O-N 3.14Å; V884-C888 HydrophobicContact CG1-CB 4.38Å; V884-C888 VanDerWaalsContact O-CB 3.26Å; V884-C888 WeakPolarHBondContact O-CB 3.33Å; V884-C888 PolarHBondContact O-N 2.76Å; V884-R891 VanDerWaalsContact CG1-CD 3.49Å; V884-L933 HydrophobicContact CB-CD1 3.93Å; V884-L933 HydrophobicContact CG1-CD1 3.67Å |
| 885 | L | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 177.4 | -68.8 | 172.3 | 0 | 0 | 0 | 112.1 | Y817 A881 C882 V887 R891 R892 V916 I931 L933 | Y817-L885 HydrophobicContact CD1-CB 3.83Å; Y817-L885 HydrophobicContact CD1-CD1 4.11Å; Y817-L885 HydrophobicContact CD2-CB 3.84Å; Y817-L885 HydrophobicContact CE1-CB 3.93Å; Y817-L885 HydrophobicContact CE1-CD1 3.62Å; Y817-L885 HydrophobicContact CE1-CG 4.39Å; Y817-L885 HydrophobicContact CE2-CB 3.92Å; Y817-L885 HydrophobicContact CG-CB 3.8Å; A881-L885 WeakPolarHBondContact O-CG 3.23Å; A881-L885 PolarHBondContact O-N 2.95Å; C882-L885 PolarHBondContact O-N 3.36Å; L885-V887 VanDerWaalsContact C-N 3.28Å; L885-V887 PolarHBondContact O-N 3.32Å; L885-R891 HydrophobicContact CD2-CB 4.24Å; L885-R891 WeakPolarHBondContact CD2-O 3.36Å; L885-R892 HydrophobicContact CD2-CG 4.25Å; L885-R892 PolarHBondContact O-NE 3.46Å; L885-R892 PolarHBondContact O-NH2 2.87Å; L885-V916 HydrophobicContact CD1-CG2 4.18Å; L885-V916 HydrophobicContact CD2-CG2 3.75Å; L885-I931 HydrophobicContact CD1-CG2 4.31Å; L885-L933 HydrophobicContact CD1-CD2 4.21Å; L885-L933 HydrophobicContact CD2-CD2 3.89Å; L885-L933 HydrophobicContact CG-CD2 4.03Å |
| 886 | G | 93 | Very high | 88.6 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -29 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S814 C882 R883 V884 R892 | S814-G886 WeakPolarHBondContact CB-O 3.49Å; C882-G886 PolarHBondContact O-N 2.83Å; R883-G886 PolarHBondContact O-N 3.48Å; V884-G886 VanDerWaalsContact C-N 3.31Å; V884-G886 PolarHBondContact O-N 3.2Å; G886-R892 PolarHBondContact O-NH2 3.21Å |
| 887 | V | 93.2 | Very high | 86.4 | Confident | 114 Ų | 114 | 61.1 Ų | 61.1 | 69% | 0.691 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -101.6 | -36.5 | -177.7 | 179 | 0 | 0 | 0 | 0 | 112.8 | R883 V884 L885 | R883-V887 WeakPolarHBondContact O-CG2 3.46Å; R883-V887 PolarHBondContact O-N 2.99Å; R883-V887 VanDerWaalsContact O-N 3.16Å; V884-V887 PolarHBondContact O-N 3.14Å; L885-V887 VanDerWaalsContact C-N 3.28Å; L885-V887 PolarHBondContact O-N 3.32Å |
| 888 | C | 90.1 | Very high | 83.9 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | trans | -106.6 | 93.5 | -171.7 | -61 | 0 | 0 | 0 | 0 | 110.9 | V884 D890 R891 | V884-C888 HydrophobicContact CG1-CB 4.38Å; V884-C888 VanDerWaalsContact O-CB 3.26Å; V884-C888 WeakPolarHBondContact O-CB 3.33Å; V884-C888 PolarHBondContact O-N 2.76Å; C888-D890 VanDerWaalsContact C-N 3.25Å; C888-D890 WeakPolarHBondContact CB-OD1 3.49Å; C888-D890 PolarHBondContact O-N 3.22Å; C888-R891 HydrophobicContact CB-CB 4.32Å; C888-R891 HydrophobicContact CB-CG 4.08Å; C888-R891 PolarHBondContact O-N 3.18Å | ||
| 889 | E | 85 | Confident | 81.2 | Confident | 137 Ų | 137 | 65.7 Ų | 65.7 | 64% | 0.64 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -63.3 | -30.3 | 178.9 | -63.7 | -169.8 | 164.5 | 0 | 0 | 113.1 | R891 R892 | E889-R891 PolarHBondContact O-N 2.84Å; E889-R891 VanDerWaalsContact O-N 3.13Å; E889-R892 WeakPolarHBondContact O-CB 3.26Å; E889-R892 PolarHBondContact O-N 3.39Å; E889-R892 IonicContact OE1-NH1 3.58Å |
| 890 | D | 84.1 | Confident | 78.6 | Confident | 105 Ų | 105 | 70.8 Ų | 70.8 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -62.8 | -18.5 | 177.2 | 66.1 | -56 | 0 | 0 | 0 | 113.6 | C888 | C888-D890 VanDerWaalsContact C-N 3.25Å; C888-D890 WeakPolarHBondContact CB-OD1 3.49Å; C888-D890 PolarHBondContact O-N 3.22Å |
| 891 | R | 84.3 | Confident | 75.9 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 29% | 0.291 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -94.9 | -0.9 | 177.9 | -63.7 | -170.6 | 173.7 | -141 | 0.8 | 113.5 | V884 L885 C888 E889 P915 | V884-R891 VanDerWaalsContact CG1-CD 3.49Å; L885-R891 HydrophobicContact CD2-CB 4.24Å; L885-R891 WeakPolarHBondContact CD2-O 3.36Å; C888-R891 HydrophobicContact CB-CB 4.32Å; C888-R891 HydrophobicContact CB-CG 4.08Å; C888-R891 PolarHBondContact O-N 3.18Å; E889-R891 PolarHBondContact O-N 2.84Å; E889-R891 VanDerWaalsContact O-N 3.13Å; R891-P915 WeakPolarHBondContact O-CB 3.35Å; R891-P915 VanDerWaalsContact O-CG 3.28Å; R891-P915 WeakPolarHBondContact O-CG 3.2Å |
| 892 | R | 87.4 | Confident | 73.2 | Confident | 12 Ų | 12 | 75 Ų | 75 | 5% | 0.045 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -83.7 | 157 | 179.2 | -63.9 | 173.5 | -174.4 | -179.1 | 9.3 | 111.4 | D738 T813 S814 Y817 L885 G886 E889 I894 P915 | D738-R892 HydrophobicContact CB-CB 4.43Å; D738-R892 VanDerWaalsContact OD2-CD 3.23Å; D738-R892 WeakPolarHBondContact OD2-CD 3.21Å; T813-R892 PolarHBondContact OG1-NH1 3.26Å; T813-R892 VanDerWaalsContact OG1-NH1 3.11Å; S814-R892 PolarHBondContact OG-NH1 2.89Å; S814-R892 VanDerWaalsContact OG-NH1 3.07Å; S814-R892 PolarHBondContact OG-NH2 3.46Å; Y817-R892 HydrophobicContact CE2-CG 4.27Å; L885-R892 HydrophobicContact CD2-CG 4.25Å; L885-R892 PolarHBondContact O-NE 3.46Å; L885-R892 PolarHBondContact O-NH2 2.87Å; G886-R892 PolarHBondContact O-NH2 3.21Å; E889-R892 WeakPolarHBondContact O-CB 3.26Å; E889-R892 PolarHBondContact O-N 3.39Å; E889-R892 IonicContact OE1-NH1 3.58Å; R892-I894 PolarHBondContact O-N 2.9Å; R892-P915 VanDerWaalsContact O-CG 3.26Å; R892-P915 WeakPolarHBondContact O-CG 3.38Å |
| 893 | P | 81.6 | Confident | 70.4 | Confident | 8 Ų | 8 | 83.1 Ų | 83.1 | 5% | 0.052 | 46% | 0.455 | C | S | . | . | trans | -54.6 | 138.2 | 171.4 | -20.9 | 31.8 | 0 | 0 | 0 | 111.1 | L735 F909 V916 | L735-P893 HydrophobicContact CD2-CG 3.71Å; P893-F909 HydrophobicContact CB-CB 4.04Å; P893-F909 HydrophobicContact CG-CB 3.56Å; P893-V916 HydrophobicContact CG-CG2 4.47Å | ||
| 894 | I | 71.6 | Confident | 67.9 | Low | 107 Ų | 107 | 83.9 Ų | 83.9 | 55% | 0.549 | 47% | 0.469 | S | S | . | . | trans | -107.3 | 135 | 178.4 | -53.3 | 172.9 | 0 | 0 | 0 | 108.2 | R892 H896 S908 | R892-I894 PolarHBondContact O-N 2.9Å; I894-H896 PolarHBondContact O-N 3.33Å; I894-H896 VanDerWaalsContact O-N 3.12Å; I894-S908 WeakPolarHBondContact O-CB 3.32Å | ||
| 895 | I | 67 | Low | 65.6 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 33% | 0.328 | 48% | 0.481 | S | S | . | . | trans | -64.4 | 111.1 | 174.2 | -57.5 | 172.6 | 0 | 0 | 0 | 108.6 | T897 | I895-T897 HydrophobicContact CG2-CG2 4.11Å; I895-T897 PolarHBondContact O-N 2.99Å; I895-T897 VanDerWaalsContact O-N 3.16Å | ||
| 896 | H | 57.3 | Low | 63.6 | Low | 113 Ų | 113 | 94.1 Ų | 94.1 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | trans | -77.2 | 98.2 | 172.6 | -75.3 | -64.5 | 0 | 0 | 0 | 109.4 | I894 S898 S913 | I894-H896 PolarHBondContact O-N 3.33Å; I894-H896 VanDerWaalsContact O-N 3.12Å; H896-S898 PolarHBondContact O-N 3.29Å; H896-S913 PolarHBondContact NE2-OG 2.95Å | ||
| 897 | T | 51.7 | Low | 62.3 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 72% | 0.724 | 52% | 0.519 | S | S | * | . | trans | -78.1 | 3.4 | -178.5 | 49 | 0 | 0 | 0 | 0 | 114.6 | I895 N899 | I895-T897 HydrophobicContact CG2-CG2 4.11Å; I895-T897 PolarHBondContact O-N 2.99Å; I895-T897 VanDerWaalsContact O-N 3.16Å; T897-N899 PolarHBondContact O-N 3.14Å | ||
| 898 | S | 44.4 | Very low | 61 | Low | 100 Ų | 100 | 89.7 Ų | 89.7 | 70% | 0.699 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -81 | 1.9 | -164 | 50.6 | 0 | 0 | 0 | 0 | 116.8 | H896 | H896-S898 PolarHBondContact O-N 3.29Š|
| 899 | N | 42.1 | Very low | 60.3 | Low | 113 Ų | 113 | 88 Ų | 88 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | trans | -155.6 | 103.4 | 167.4 | -110.6 | -21.4 | 0 | 0 | 0 | 112.9 | T897 S901 | T897-N899 PolarHBondContact O-N 3.14Å; N899-S901 PolarHBondContact O-N 3.03Å | ||
| 900 | P | 41.5 | Very low | 59.8 | Low | 109 Ų | 109 | 85.2 Ų | 85.2 | 71% | 0.708 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -7.3 | 177.7 | -15.5 | 29.2 | 0 | 0 | 0 | 114.7 | ||
| 901 | S | 40.1 | Very low | 59.4 | Low | 88 Ų | 88 | 81.4 Ų | 81.4 | 62% | 0.615 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -7.9 | -165.7 | 53.1 | 0 | 0 | 0 | 0 | 115.8 | N899 I903 | N899-S901 PolarHBondContact O-N 3.03Å; S901-I903 PolarHBondContact O-N 3.21Å |
| 902 | T | 39 | Very low | 58.8 | Low | 100 Ų | 100 | 83.4 Ų | 83.4 | 61% | 0.613 | 47% | 0.471 | S | S | * | . | trans | -87.8 | 104.4 | 173.7 | 33.6 | 0 | 0 | 0 | 0 | 110.6 | N904 | T902-N904 PolarHBondContact O-N 2.93Š| ||
| 903 | I | 39.3 | Very low | 58.3 | Low | 171 Ų | 171 | 86.4 Ų | 86.4 | 88% | 0.877 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -59 | 7.2 | 177.9 | -66.5 | 168.4 | 0 | 0 | 0 | 113.9 | S901 | S901-I903 PolarHBondContact O-N 3.21Š|
| 904 | N | 43.8 | Very low | 58.3 | Low | 139 Ų | 139 | 86.4 Ų | 86.4 | 74% | 0.743 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -128.8 | 98.2 | 169.2 | -111.2 | -25.4 | 0 | 0 | 0 | 109.9 | T902 K906 | T902-N904 PolarHBondContact O-N 2.93Å; N904-K906 PolarHBondContact O-N 2.78Å |
| 905 | P | 46.4 | Very low | 58.9 | Low | 79 Ų | 79 | 82.9 Ų | 82.9 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | trans | -75 | 101.6 | -179.9 | 28.2 | -23.7 | 0 | 0 | 0 | 107.2 | T760 M907 | T760-P905 HydrophobicContact CG2-CB 4.5Å; T760-P905 HydrophobicContact CG2-CG 3.82Å; P905-M907 PolarHBondContact O-N 2.68Å; P905-M907 VanDerWaalsContact O-N 3.09Å | ||
| 906 | K | 53.2 | Low | 60 | Low | 177 Ų | 177 | 79.9 Ų | 79.9 | 77% | 0.77 | 46% | 0.463 | S | S | * | . | trans | -56 | 119.5 | 169 | -75.1 | -179.2 | 175.9 | 178.7 | 0 | 107.2 | N904 S908 | N904-K906 PolarHBondContact O-N 2.78Å; K906-S908 PolarHBondContact O-N 2.67Å | ||
| 907 | M | 66.2 | Low | 61.6 | Low | 17 Ų | 17 | 80.1 Ų | 80.1 | 8% | 0.084 | 46% | 0.462 | C | S | . | . | trans | -48.4 | 115.5 | 172.2 | -59.9 | -174.5 | 148 | 0 | 0 | 107.5 | Q736 I741 P905 F909 L910 | Q736-M907 HydrophobicContact CG-CE 3.98Å; Q736-M907 VanDerWaalsContact NE2-CE 3.33Å; I741-M907 HydrophobicContact CD1-CB 4.18Å; I741-M907 HydrophobicContact CD1-CE 3.79Å; I741-M907 HydrophobicContact CD1-CG 3.6Å; I741-M907 HydrophobicContact CD1-SD 4.34Å; P905-M907 PolarHBondContact O-N 2.68Å; P905-M907 VanDerWaalsContact O-N 3.09Å; M907-F909 HydrophobicContact CB-CD1 3.76Å; M907-F909 HydrophobicContact CB-CE1 3.48Å; M907-F909 VanDerWaalsContact CB-CE1 3.48Å; M907-F909 HydrophobicContact CB-CZ 4.02Å; M907-F909 HydrophobicContact CE-CE1 4.49Å; M907-F909 HydrophobicContact CG-CE1 3.94Å; M907-F909 HydrophobicContact CG-CZ 4.31Å; M907-F909 PolarHBondContact O-N 3.17Å; M907-F909 HydrophobicContact SD-CE1 3.38Å; M907-F909 WeakPolarHBondContact SD-CE1 3.47Å; M907-F909 HydrophobicContact SD-CE2 4.43Å; M907-F909 HydrophobicContact SD-CZ 3.31Å; M907-F909 WeakPolarHBondContact SD-CZ 3.39Å; M907-L910 HydrophobicContact CB-CD1 3.88Å; M907-L910 HydrophobicContact CB-CG 4.05Å; M907-L910 HydrophobicContact CG-CD1 4.17Å; M907-L910 WeakPolarHBondContact O-CA 3.21Å; M907-L910 WeakPolarHBondContact O-CB 3.26Å; M907-L910 PolarHBondContact O-N 3.45Å; M907-L910 HydrophobicContact SD-CD1 4.01Å | ||
| 908 | S | 65.2 | Low | 63.5 | Low | 10 Ų | 10 | 76 Ų | 76 | 7% | 0.07 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -58.9 | -25.5 | -168.4 | 44.8 | 0 | 0 | 0 | 0 | 113 | S739 I894 K906 L910 C911 S914 | S739-S908 VanDerWaalsContact CA-OG 3.23Å; S739-S908 WeakPolarHBondContact CA-OG 3.28Å; S739-S908 WeakPolarHBondContact CB-OG 3.3Å; S739-S908 PolarHBondContact OG-OG 3.38Å; I894-S908 WeakPolarHBondContact O-CB 3.32Å; K906-S908 PolarHBondContact O-N 2.67Å; S908-L910 PolarHBondContact O-N 2.65Å; S908-C911 WeakPolarHBondContact O-CB 3.31Å; S908-C911 PolarHBondContact O-N 2.9Å; S908-C911 VanDerWaalsContact O-N 3.15Å; S908-S914 WeakPolarHBondContact O-CB 3.28Å |
| 909 | F | 74.2 | Confident | 65.7 | Low | 3 Ų | 3 | 72.7 Ų | 72.7 | 1% | 0.013 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -68 | -16.9 | 173.7 | 74.7 | -98.7 | 0 | 0 | 0 | 114.6 | W600 L735 Q736 S739 P893 M907 S914 L918 | W600-F909 AromaticContact CZ3-CE2 3.95Å; W600-F909 HydrophobicContact CZ3-CE2 3.95Å; W600-F909 HydrophobicContact CZ3-CZ 4.26Å; L735-F909 HydrophobicContact CB-CB 4.38Å; L735-F909 HydrophobicContact CB-CD1 4Å; L735-F909 HydrophobicContact CB-CE1 4.39Å; L735-F909 HydrophobicContact CB-CG 4.08Å; L735-F909 HydrophobicContact CD2-CB 4.24Å; Q736-F909 HydrophobicContact CG-CE1 3.87Å; Q736-F909 HydrophobicContact CG-CZ 4.43Å; S739-F909 WeakPolarHBondContact OG-CD1 3.41Å; S739-F909 PolarHBondContact OG-N 3.42Å; P893-F909 HydrophobicContact CB-CB 4.04Å; P893-F909 HydrophobicContact CG-CB 3.56Å; M907-F909 HydrophobicContact CB-CD1 3.76Å; M907-F909 HydrophobicContact CB-CE1 3.48Å; M907-F909 VanDerWaalsContact CB-CE1 3.48Å; M907-F909 HydrophobicContact CB-CZ 4.02Å; M907-F909 HydrophobicContact CE-CE1 4.49Å; M907-F909 HydrophobicContact CG-CE1 3.94Å; M907-F909 HydrophobicContact CG-CZ 4.31Å; M907-F909 PolarHBondContact O-N 3.17Å; M907-F909 HydrophobicContact SD-CE1 3.38Å; M907-F909 WeakPolarHBondContact SD-CE1 3.47Å; M907-F909 HydrophobicContact SD-CE2 4.43Å; M907-F909 HydrophobicContact SD-CZ 3.31Å; M907-F909 WeakPolarHBondContact SD-CZ 3.39Å; F909-S914 WeakPolarHBondContact CA-OG 3.48Å; F909-S914 PolarHBondContact O-OG 3.43Å; F909-L918 HydrophobicContact CD2-CD1 4.09Å; F909-L918 HydrophobicContact CE2-CD1 3.78Å |
| 910 | L | 75.4 | Confident | 68.1 | Low | 79 Ų | 79 | 69 Ų | 69 | 41% | 0.414 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -92.4 | -7.6 | 173.8 | -60.8 | 175.6 | 0 | 0 | 0 | 112.5 | S597 W600 M907 S908 | S597-L910 VanDerWaalsContact OG-CD1 3.31Å; S597-L910 WeakPolarHBondContact OG-CD1 3.49Å; W600-L910 HydrophobicContact CH2-CD2 4.1Å; M907-L910 HydrophobicContact CB-CD1 3.88Å; M907-L910 HydrophobicContact CB-CG 4.05Å; M907-L910 HydrophobicContact CG-CD1 4.17Å; M907-L910 WeakPolarHBondContact O-CA 3.21Å; M907-L910 WeakPolarHBondContact O-CB 3.26Å; M907-L910 PolarHBondContact O-N 3.45Å; M907-L910 HydrophobicContact SD-CD1 4.01Å; S908-L910 PolarHBondContact O-N 2.65Å |
| 911 | C | 74.9 | Confident | 70.3 | Confident | 25 Ų | 25 | 69 Ų | 69 | 17% | 0.169 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -67.4 | 142.9 | 176 | -72.2 | 0 | 0 | 0 | 0 | 110.4 | S908 S913 S914 | S908-C911 WeakPolarHBondContact O-CB 3.31Å; S908-C911 PolarHBondContact O-N 2.9Å; S908-C911 VanDerWaalsContact O-N 3.15Å; C911-S913 PolarHBondContact O-N 2.91Å; C911-S913 VanDerWaalsContact O-N 3.08Å; C911-S914 WeakPolarHBondContact O-CB 3.34Å; C911-S914 PolarHBondContact O-N 3.32Å |
| 912 | P | 73.6 | Confident | 72.8 | Confident | 119 Ų | 119 | 67 Ų | 67 | 77% | 0.773 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.9 | 176.9 | -24.8 | 33.2 | 0 | 0 | 0 | 113.9 | S914 | P912-S914 VanDerWaalsContact C-N 3.33Š|
| 913 | S | 75 | Confident | 75.3 | Confident | 76 Ų | 76 | 62.5 Ų | 62.5 | 53% | 0.531 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.7 | 176.7 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | H896 C911 | H896-S913 PolarHBondContact NE2-OG 2.95Å; C911-S913 PolarHBondContact O-N 2.91Å; C911-S913 VanDerWaalsContact O-N 3.08Å |
| 914 | S | 81.7 | Confident | 77.6 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | trans | -59.8 | 136.9 | 179.3 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | S908 F909 C911 P912 V916 | S908-S914 WeakPolarHBondContact O-CB 3.28Å; F909-S914 WeakPolarHBondContact CA-OG 3.48Å; F909-S914 PolarHBondContact O-OG 3.43Å; C911-S914 WeakPolarHBondContact O-CB 3.34Å; C911-S914 PolarHBondContact O-N 3.32Å; P912-S914 VanDerWaalsContact C-N 3.33Å; S914-V916 VanDerWaalsContact CB-O 3.31Å; S914-V916 WeakPolarHBondContact CB-O 3.42Å; S914-V916 PolarHBondContact O-N 3.05Å; S914-V916 PolarHBondContact OG-N 3.41Å; S914-V916 VanDerWaalsContact OG-N 3.09Å; S914-V916 PolarHBondContact OG-O 2.89Å | ||
| 915 | P | 85.3 | Confident | 79.8 | Confident | 34 Ų | 34 | 52 Ų | 52 | 22% | 0.221 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -67.3 | -14.7 | 171.6 | 28.4 | -32.9 | 0 | 0 | 0 | 112.6 | R891 R892 L933 A934 | R891-P915 WeakPolarHBondContact O-CB 3.35Å; R891-P915 VanDerWaalsContact O-CG 3.28Å; R891-P915 WeakPolarHBondContact O-CG 3.2Å; R892-P915 VanDerWaalsContact O-CG 3.26Å; R892-P915 WeakPolarHBondContact O-CG 3.38Å; P915-L933 WeakPolarHBondContact O-CA 3.46Å; P915-A934 PolarHBondContact O-N 2.64Å |
| 916 | V | 89.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.3 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | L735 L885 P893 S914 I931 R932 L933 | L735-V916 HydrophobicContact CD1-CG1 4.47Å; L735-V916 HydrophobicContact CD2-CB 4.14Å; L735-V916 HydrophobicContact CD2-CG1 3.92Å; L735-V916 HydrophobicContact CD2-CG2 4.13Å; L885-V916 HydrophobicContact CD1-CG2 4.18Å; L885-V916 HydrophobicContact CD2-CG2 3.75Å; P893-V916 HydrophobicContact CG-CG2 4.47Å; S914-V916 VanDerWaalsContact CB-O 3.31Å; S914-V916 WeakPolarHBondContact CB-O 3.42Å; S914-V916 PolarHBondContact O-N 3.05Å; S914-V916 PolarHBondContact OG-N 3.41Å; S914-V916 VanDerWaalsContact OG-N 3.09Å; S914-V916 PolarHBondContact OG-O 2.89Å; V916-I931 HydrophobicContact CG1-CG2 3.79Å; V916-R932 WeakPolarHBondContact CA-O 3.49Å; V916-L933 HydrophobicContact CG2-CD2 4Å |
| 917 | K | 90.3 | Very high | 84 | Confident | 118 Ų | 118 | 41 Ų | 41 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.8 | 171.7 | -66.1 | -172.1 | 177.2 | -173.2 | 0 | 110.1 | R932 | K917-R932 HydrophobicContact CB-CB 4.37Å; K917-R932 PolarHBondContact N-O 3.07Å; K917-R932 PolarHBondContact O-N 3Å |
| 918 | L | 91.6 | Very high | 85.5 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.2 | 173.7 | -60.5 | 179.6 | 0 | 0 | 0 | 108.9 | W600 L735 F909 Y920 P929 I931 | W600-L918 HydrophobicContact CH2-CD1 4.11Å; W600-L918 HydrophobicContact CZ3-CD1 3.63Å; L735-L918 HydrophobicContact CD1-CD1 4.48Å; L735-L918 HydrophobicContact CD1-CD2 4.08Å; F909-L918 HydrophobicContact CD2-CD1 4.09Å; F909-L918 HydrophobicContact CE2-CD1 3.78Å; L918-Y920 HydrophobicContact CB-CD2 4.39Å; L918-Y920 HydrophobicContact CB-CE2 4.1Å; L918-Y920 HydrophobicContact CD1-CE2 4.48Å; L918-P929 HydrophobicContact CB-CB 3.93Å; L918-P929 HydrophobicContact CD2-CB 4.2Å; L918-P929 HydrophobicContact CD2-CG 4.23Å; L918-I931 HydrophobicContact CD2-CG1 3.93Å |
| 919 | D | 91.3 | Very high | 86.9 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 17% | 0.166 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 101.6 | 178.5 | 176.7 | 15.2 | 0 | 0 | 0 | 110 | N921 L930 R932 | D919-N921 VanDerWaalsContact C-N 3.34Å; D919-N921 PolarHBondContact OD1-N 3.34Å; D919-L930 HydrophobicContact CB-CB 4.27Å; D919-L930 PolarHBondContact N-O 3.32Å; D919-L930 PolarHBondContact O-N 3.44Å; D919-R932 HydrophobicContact CB-CG 4.36Å; D919-R932 IonicContact OD2-CZ 2.71Å; D919-R932 IonicContact OD2-NE 2.69Å; D919-R932 PolarHBondContact OD2-NE 2.71Å; D919-R932 IonicContact OD2-NH2 2.63Å; D919-R932 PolarHBondContact OD2-NH2 3.31Å |
| 920 | Y | 91.4 | Very high | 87.9 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 14% | 0.137 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -82.5 | -10.5 | 178.7 | -81.5 | -79.7 | 0 | 0 | 0 | 113.4 | F590 W600 L918 F922 K926 P929 | F590-Y920 HydrophobicContact CD1-CE1 4.48Å; W600-Y920 AromaticContact CH2-CE2 3.65Å; W600-Y920 HydrophobicContact CH2-CE2 3.65Å; W600-Y920 AromaticContact CZ2-CE2 3.79Å; W600-Y920 HydrophobicContact CZ2-CE2 3.79Å; W600-Y920 HydrophobicContact CZ3-CE2 4.26Å; L918-Y920 HydrophobicContact CB-CD2 4.39Å; L918-Y920 HydrophobicContact CB-CE2 4.1Å; L918-Y920 HydrophobicContact CD1-CE2 4.48Å; Y920-F922 VanDerWaalsContact C-N 3.27Å; Y920-F922 PolarHBondContact O-N 3.48Å; Y920-K926 HydrophobicContact CD1-CB 4.47Å; Y920-K926 WeakPolarHBondContact CD1-O 3.42Å; Y920-K926 WeakPolarHBondContact CE1-O 3.4Å; Y920-K926 WeakPolarHBondContact O-CA 3.44Å; Y920-K926 WeakPolarHBondContact O-CG 3.43Å; Y920-P929 HydrophobicContact CD1-CB 3.91Å; Y920-P929 HydrophobicContact CD2-CB 3.98Å; Y920-P929 HydrophobicContact CE1-CB 3.7Å; Y920-P929 HydrophobicContact CE1-CG 3.85Å; Y920-P929 HydrophobicContact CE2-CB 3.7Å; Y920-P929 HydrophobicContact CE2-CG 4.17Å; Y920-P929 HydrophobicContact CG-CB 4.09Å |
| 921 | N | 89.4 | Confident | 88.9 | Confident | 110 Ų | 110 | 36.7 Ų | 36.7 | 59% | 0.588 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -84.4 | -0.1 | -178.5 | -65.3 | -47.7 | 0 | 0 | 0 | 113.3 | D919 L923 | D919-N921 VanDerWaalsContact C-N 3.34Å; D919-N921 PolarHBondContact OD1-N 3.34Å; N921-L923 VanDerWaalsContact C-N 3.34Å |
| 922 | F | 91.2 | Very high | 89.7 | Confident | 46 Ų | 46 | 41.6 Ų | 41.6 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -69.5 | -31.9 | 177.9 | -177.3 | -98 | 0 | 0 | 0 | 112.7 | D870 Q873 L874 Y920 L930 | D870-F922 HydrophobicContact CB-CE1 4.38Å; D870-F922 WeakPolarHBondContact O-CE1 3.33Å; Q873-F922 HydrophobicContact CB-CE1 4.48Å; Q873-F922 HydrophobicContact CB-CZ 3.97Å; L874-F922 HydrophobicContact CB-CD1 4.01Å; L874-F922 HydrophobicContact CB-CE1 3.77Å; L874-F922 HydrophobicContact CD1-CD1 3.84Å; L874-F922 HydrophobicContact CD1-CE1 4.47Å; L874-F922 HydrophobicContact CG-CD1 4.48Å; Y920-F922 VanDerWaalsContact C-N 3.27Å; Y920-F922 PolarHBondContact O-N 3.48Å; F922-L930 HydrophobicContact CB-CB 3.88Å; F922-L930 HydrophobicContact CB-CD2 4.28Å; F922-L930 HydrophobicContact CD2-CD2 3.86Å; F922-L930 HydrophobicContact CE2-CD2 4.48Å; F922-L930 HydrophobicContact CG-CB 4.16Å; F922-L930 HydrophobicContact CG-CD2 4.04Å |
| 923 | L | 91.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -112.6 | 145.3 | 176.9 | -66.1 | -176.9 | 0 | 0 | 0 | 109.9 | D866 D870 L871 L874 N921 S925 K926 Y928 | D866-L923 HydrophobicContact CB-CD2 4.41Å; D866-L923 WeakPolarHBondContact OD1-CB 2.84Å; D870-L923 HydrophobicContact CB-CD2 3.84Å; L871-L923 HydrophobicContact CD2-CD1 3.68Å; L871-L923 HydrophobicContact CD2-CD2 4.11Å; L874-L923 HydrophobicContact CD1-CD1 3.81Å; L874-L923 HydrophobicContact CD1-CG 3.95Å; N921-L923 VanDerWaalsContact C-N 3.34Å; L923-S925 VanDerWaalsContact C-N 3.3Å; L923-S925 PolarHBondContact O-N 3.32Å; L923-K926 PolarHBondContact O-N 3.46Å; L923-K926 VanDerWaalsContact O-N 3.12Å; L923-Y928 HydrophobicContact CD1-CD2 3.92Å |
| 924 | E | 87.8 | Confident | 90.7 | Very high | 90 Ų | 90 | 37.3 Ų | 37.3 | 42% | 0.421 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -37.1 | 177.2 | -72.5 | -62.9 | 160.4 | 0 | 0 | 112 | P865 D866 K926 | P865-E924 HydrophobicContact CG-CB 3.94Å; D866-E924 PolarHBondContact OD1-N 3.38Å; E924-K926 PolarHBondContact O-N 2.88Å |
| 925 | S | 91 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -20.7 | 176.9 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | Q591 D866 L923 C927 | Q591-S925 PolarHBondContact N-O 2.86Å; D866-S925 VanDerWaalsContact CG-OG 3.25Å; D866-S925 WeakPolarHBondContact OD1-CB 3.47Å; D866-S925 PolarHBondContact OD1-N 3.09Å; D866-S925 PolarHBondContact OD1-OG 3.35Å; D866-S925 WeakPolarHBondContact OD2-CB 3.47Å; D866-S925 PolarHBondContact OD2-OG 3.46Å; L923-S925 VanDerWaalsContact C-N 3.3Å; L923-S925 PolarHBondContact O-N 3.32Å; S925-C927 PolarHBondContact O-N 2.91Å; S925-C927 VanDerWaalsContact OG-CB 3.25Å; S925-C927 WeakPolarHBondContact OG-CB 3.49Å; S925-C927 PolarHBondContact OG-N 3.28Å |
| 926 | K | 93.4 | Very high | 88.3 | Confident | 24 Ų | 24 | 45.8 Ų | 45.8 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | trans | 50.6 | 20 | -166.5 | -50.1 | -172.6 | -177 | 164.7 | 0 | 113.8 | F590 Q591 E593 Y920 L923 E924 | F590-K926 WeakPolarHBondContact CB-O 3.26Å; Q591-K926 PolarHBondContact O-NZ 2.9Å; Q591-K926 VanDerWaalsContact O-NZ 3.16Å; E593-K926 IonicContact OE1-NZ 3.68Å; E593-K926 PolarHBondContact OE1-NZ 2.89Å; Y920-K926 HydrophobicContact CD1-CB 4.47Å; Y920-K926 WeakPolarHBondContact CD1-O 3.42Å; Y920-K926 WeakPolarHBondContact CE1-O 3.4Å; Y920-K926 WeakPolarHBondContact O-CA 3.44Å; Y920-K926 WeakPolarHBondContact O-CG 3.43Å; L923-K926 PolarHBondContact O-N 3.46Å; L923-K926 VanDerWaalsContact O-N 3.12Å; E924-K926 PolarHBondContact O-N 2.88Å | ||
| 927 | C | 94.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -72.8 | -35 | -174 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | V587 Y604 S925 | V587-C927 HydrophobicContact CG1-CB 4.35Å; Y604-C927 WeakPolarHBondContact CE1-O 3.37Å; Y604-C927 PolarHBondContact OH-O 2.55Å; S925-C927 PolarHBondContact O-N 2.91Å; S925-C927 VanDerWaalsContact OG-CB 3.25Å; S925-C927 WeakPolarHBondContact OG-CB 3.49Å; S925-C927 PolarHBondContact OG-N 3.28Å | ||
| 928 | Y | 96.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -122.6 | 126.1 | -178.5 | -47.5 | -68.3 | 0 | 0 | 0 | 110.2 | Y604 H721 L724 N725 L871 L874 L923 | Y604-Y928 HydrophobicContact CE1-CD1 4.25Å; Y604-Y928 HydrophobicContact CE1-CE1 4.39Å; H721-Y928 AromaticContact ND1-CE2 3.7Å; H721-Y928 AromaticContact ND1-CZ 3.99Å; H721-Y928 PolarHBondContact ND1-OH 2.89Å; L724-Y928 HydrophobicContact CB-CD1 4.21Å; L724-Y928 HydrophobicContact CB-CD2 4.4Å; L724-Y928 HydrophobicContact CB-CE1 3.95Å; L724-Y928 HydrophobicContact CB-CE2 4.17Å; L724-Y928 HydrophobicContact CB-CG 4.43Å; L724-Y928 HydrophobicContact CD1-CD2 4.17Å; L724-Y928 HydrophobicContact CD1-CE2 4.01Å; N725-Y928 HydrophobicContact CB-CE1 4.1Å; L871-Y928 HydrophobicContact CD2-CD2 4.4Å; L874-Y928 WeakPolarHBondContact CD1-O 3.46Å; L923-Y928 HydrophobicContact CD1-CD2 3.92Å |
| 929 | P | 95.5 | Very high | 80.8 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.019 | 31% | 0.309 | C | S | . | . | trans | -78.5 | 143.1 | 179.1 | 29.3 | -31 | 0 | 0 | 0 | 112 | T728 N878 L918 Y920 | T728-P929 HydrophobicContact CG2-CG 4.3Å; N878-P929 PolarHBondContact ND2-O 3.23Å; L918-P929 HydrophobicContact CB-CB 3.93Å; L918-P929 HydrophobicContact CD2-CB 4.2Å; L918-P929 HydrophobicContact CD2-CG 4.23Å; Y920-P929 HydrophobicContact CD1-CB 3.91Å; Y920-P929 HydrophobicContact CD2-CB 3.98Å; Y920-P929 HydrophobicContact CE1-CB 3.7Å; Y920-P929 HydrophobicContact CE1-CG 3.85Å; Y920-P929 HydrophobicContact CE2-CB 3.7Å; Y920-P929 HydrophobicContact CE2-CG 4.17Å; Y920-P929 HydrophobicContact CG-CB 4.09Å | ||
| 930 | L | 96 | Very high | 77.9 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 121.9 | 162.4 | 179.8 | 69.5 | 0 | 0 | 0 | 109.3 | L874 R877 D919 F922 R932 | L874-L930 HydrophobicContact CD1-CB 4.43Å; R877-L930 HydrophobicContact CB-CD1 3.6Å; R877-L930 HydrophobicContact CG-CD1 4.35Å; D919-L930 HydrophobicContact CB-CB 4.27Å; D919-L930 PolarHBondContact N-O 3.32Å; D919-L930 PolarHBondContact O-N 3.44Å; F922-L930 HydrophobicContact CB-CB 3.88Å; F922-L930 HydrophobicContact CB-CD2 4.28Å; F922-L930 HydrophobicContact CD2-CD2 3.86Å; F922-L930 HydrophobicContact CE2-CD2 4.48Å; F922-L930 HydrophobicContact CG-CB 4.16Å; F922-L930 HydrophobicContact CG-CD2 4.04Å; L930-R932 HydrophobicContact CD2-CG 4.35Å; L930-R932 HydrophobicContact CG-CG 4.35Å; L930-R932 PolarHBondContact O-N 3.31Å |
| 931 | I | 95.4 | Very high | 77.2 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 110.1 | 179.6 | -56.3 | 172.7 | 0 | 0 | 0 | 108.7 | A731 N878 A881 L885 V916 L918 | A731-I931 HydrophobicContact CB-CD1 3.91Å; N878-I931 HydrophobicContact CB-CD1 4.48Å; N878-I931 PolarHBondContact OD1-N 3.39Å; A881-I931 HydrophobicContact CB-CB 4.01Å; A881-I931 HydrophobicContact CB-CG2 3.87Å; L885-I931 HydrophobicContact CD1-CG2 4.31Å; V916-I931 HydrophobicContact CG1-CG2 3.79Å; L918-I931 HydrophobicContact CD2-CG1 3.93Å |
| 932 | R | 92.6 | Very high | 76.5 | Confident | 128 Ų | 128 | 69.1 Ų | 69.1 | 48% | 0.483 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.1 | 177.8 | -62.9 | -175.7 | 179.9 | -118.4 | 6.7 | 110.5 | V916 K917 D919 L930 | V916-R932 WeakPolarHBondContact CA-O 3.49Å; K917-R932 HydrophobicContact CB-CB 4.37Å; K917-R932 PolarHBondContact N-O 3.07Å; K917-R932 PolarHBondContact O-N 3Å; D919-R932 HydrophobicContact CB-CG 4.36Å; D919-R932 IonicContact OD2-CZ 2.71Å; D919-R932 IonicContact OD2-NE 2.69Å; D919-R932 PolarHBondContact OD2-NE 2.71Å; D919-R932 IonicContact OD2-NH2 2.63Å; D919-R932 PolarHBondContact OD2-NH2 3.31Å; L930-R932 HydrophobicContact CD2-CG 4.35Å; L930-R932 HydrophobicContact CG-CG 4.35Å; L930-R932 PolarHBondContact O-N 3.31Å |
| 933 | L | 89.9 | Confident | 75.7 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.8 | 174.6 | -56.6 | 178.5 | 0 | 0 | 0 | 109.6 | A881 V884 L885 P915 V916 | A881-L933 HydrophobicContact CB-CD1 4.44Å; A881-L933 HydrophobicContact CB-CG 4.44Å; V884-L933 HydrophobicContact CB-CD1 3.93Å; V884-L933 HydrophobicContact CG1-CD1 3.67Å; L885-L933 HydrophobicContact CD1-CD2 4.21Å; L885-L933 HydrophobicContact CD2-CD2 3.89Å; L885-L933 HydrophobicContact CG-CD2 4.03Å; P915-L933 WeakPolarHBondContact O-CA 3.46Å; V916-L933 HydrophobicContact CG2-CD2 4Å |
| 934 | A | 79.8 | Confident | 74.8 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 45% | 0.446 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 138.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P915 | P915-A934 PolarHBondContact O-N 2.64Š|
| 935 | S | 63.1 | Low | 74 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 136.1 | 174.5 | 62.9 | 0 | 0 | 0 | 0 | 110.2 | S937 | S935-S937 PolarHBondContact O-N 3.37Å; S935-S937 PolarHBondContact OG-OG 3.07Å |
| 936 | Q | 52.8 | Low | 72.8 | Confident | 128 Ų | 128 | 78.1 Ų | 78.1 | 60% | 0.598 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -61.3 | -7.3 | -179.9 | -82.2 | 179.8 | -21.5 | 0 | 0 | 114.3 | K938 K939 | Q936-K938 PolarHBondContact O-N 3.32Å; Q936-K939 PolarHBondContact O-N 3.35Å |
| 937 | S | 44.1 | Very low | 71.4 | Confident | 99 Ų | 99 | 82 Ų | 82 | 69% | 0.692 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -69.8 | 7.9 | -173.1 | 55.9 | 0 | 0 | 0 | 0 | 116.8 | S935 | S935-S937 PolarHBondContact O-N 3.37Å; S935-S937 PolarHBondContact OG-OG 3.07Å |
| 938 | K | 39.2 | Very low | 69.6 | Low | 199 Ų | 199 | 88.3 Ų | 88.3 | 87% | 0.865 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -120.9 | 10.5 | 174.6 | -74.7 | -168.5 | 176.7 | -174.6 | 0 | 115.1 | Q936 | Q936-K938 PolarHBondContact O-N 3.32Š|
| 939 | K | 31.5 | Very low | 67.4 | Low | 173 Ų | 173 | 95.7 Ų | 95.7 | 75% | 0.752 | 52% | 0.52 | S | S | * | . | trans | -124.4 | 76.2 | 170 | -74.8 | -174.2 | 178.5 | 179.2 | 0 | 110 | Q936 | Q936-K939 PolarHBondContact O-N 3.35Š| ||
| 940 | C | 28.6 | Very low | 64.8 | Low | 207 Ų | 207 | 104.1 Ų | 104.1 | 100% | 1.399 | 57% | 0.565 | S | S | * | * | trans | -143 | 0 | 154.2 | -86.9 | 0 | 0 | 0 | 0 | 106.7 |
Retrieved 940 of 940 residues in 496.7 ms
(Link to these results)