| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.7 | Very low | 66.1 | Low | 247 Ų | 247 | 157.5 Ų | 157.5 | 100% | 1.217 | 79% | 0.789 | S | S | * | * | 0 | 95.1 | 0 | -75.5 | 168.9 | 153.9 | 0 | 0 | 106.8 | |||||
| 2 | K | 42.1 | Very low | 67.9 | Low | 203 Ų | 203 | 156.9 Ų | 156.9 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 124.1 | 172.4 | -77.8 | 179.7 | 174.1 | 178.7 | 0 | 105.8 | D4 | K2-D4 PolarHBondContact O-N 3.34Š| ||
| 3 | S | 47.7 | Very low | 69.4 | Low | 97 Ų | 97 | 153.3 Ų | 153.3 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -66.8 | 113.1 | 175.5 | 53.8 | 0 | 0 | 0 | 0 | 107.9 | V5 | S3-V5 PolarHBondContact O-N 3.42Š| ||
| 4 | D | 49 | Very low | 70.3 | Confident | 166 Ų | 166 | 149 Ų | 149 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -68.9 | 61.2 | 168.1 | -66 | -37.7 | 0 | 0 | 0 | 109.4 | K2 | K2-D4 PolarHBondContact O-N 3.34Š| ||
| 5 | V | 60.5 | Low | 70.6 | Confident | 111 Ų | 111 | 141.5 Ų | 141.5 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | trans | -85.7 | 110.3 | 165.6 | -172.3 | 0 | 0 | 0 | 0 | 104.4 | S3 E7 | S3-V5 PolarHBondContact O-N 3.42Å; V5-E7 PolarHBondContact O-N 3.16Å | ||
| 6 | E | 71.6 | Confident | 70.2 | Confident | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | trans | -51.9 | 107.2 | 164.1 | -79.9 | -178.4 | 148.3 | 0 | 0 | 107.6 | L8 | E6-L8 PolarHBondContact O-N 2.6Š| ||
| 7 | E | 79.4 | Confident | 69.3 | Low | 114 Ų | 114 | 138.5 Ų | 138.5 | 53% | 0.533 | 72% | 0.716 | S | S | . | * | trans | -67.6 | 115.4 | -178.8 | -166.7 | 175.8 | -170.1 | 0 | 0 | 107.2 | V5 M9 P10 | V5-E7 PolarHBondContact O-N 3.16Å; E7-M9 PolarHBondContact O-N 3.39Å; E7-M9 VanDerWaalsContact O-N 3.09Å; E7-P10 HydrophobicContact CB-CB 4.26Å; E7-P10 VanDerWaalsContact O-CD 3.29Å; E7-P10 WeakPolarHBondContact O-CD 3.28Å; E7-P10 WeakPolarHBondContact OE2-CA 3.36Å | ||
| 8 | L | 82.6 | Confident | 68.3 | Low | 177 Ų | 177 | 133.6 Ų | 133.6 | 93% | 0.927 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -57.4 | -26 | -177.4 | -70.4 | 169.7 | 0 | 0 | 0 | 112.8 | E6 | E6-L8 PolarHBondContact O-N 2.6Š|
| 9 | M | 84.4 | Confident | 67 | Low | 161 Ų | 161 | 137.9 Ų | 137.9 | 79% | 0.793 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -136.1 | 81.7 | 173.6 | -75 | -178.9 | 44.9 | 0 | 0 | 109.4 | E7 | E7-M9 PolarHBondContact O-N 3.39Å; E7-M9 VanDerWaalsContact O-N 3.09Å |
| 10 | P | 88.1 | Confident | 66.2 | Low | 72 Ų | 72 | 134.5 Ų | 134.5 | 47% | 0.468 | 72% | 0.721 | S | S | . | * | trans | -70 | 141.7 | -176.2 | 29.6 | -31.3 | 0 | 0 | 0 | 110.6 | E7 L12 | E7-P10 HydrophobicContact CB-CB 4.26Å; E7-P10 VanDerWaalsContact O-CD 3.29Å; E7-P10 WeakPolarHBondContact O-CD 3.28Å; E7-P10 WeakPolarHBondContact OE2-CA 3.36Å; P10-L12 HydrophobicContact CG-CD2 4.3Å; P10-L12 PolarHBondContact O-N 2.91Å; P10-L12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | R | 83.9 | Confident | 65.6 | Low | 197 Ų | 197 | 132 Ų | 132 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | -72 | 105.6 | 174.8 | -63.5 | -178.1 | -177.3 | -168.6 | -0.9 | 110 | ||||
| 12 | L | 88.3 | Confident | 66.2 | Low | 151 Ų | 151 | 128.4 Ų | 128.4 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | trans | -87.6 | -21 | -179.1 | -61.4 | -179.4 | 0 | 0 | 0 | 113.9 | P10 | P10-L12 HydrophobicContact CG-CD2 4.3Å; P10-L12 PolarHBondContact O-N 2.91Å; P10-L12 VanDerWaalsContact O-N 3.11Å | ||
| 13 | L | 87.3 | Confident | 66.8 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -107.8 | 131.8 | -178.7 | -64.5 | 175.7 | 0 | 0 | 0 | 110.4 | V15 L37 | L13-V15 PolarHBondContact O-N 2.66Å; L13-L37 HydrophobicContact CB-CD1 3.81Å; L13-L37 HydrophobicContact CD1-CD1 4.03Å; L13-L37 HydrophobicContact CD1-CD2 3.84Å |
| 14 | P | 81.8 | Confident | 67.3 | Low | 93 Ų | 93 | 125.3 Ų | 125.3 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | trans | -71.8 | 121.2 | 178 | 29 | -32.7 | 0 | 0 | 0 | 109.7 | ||||
| 15 | V | 75.4 | Confident | 68 | Low | 36 Ų | 36 | 123 Ų | 123 | 22% | 0.218 | 67% | 0.666 | C | S | . | * | trans | -115.3 | 115.6 | 168.9 | -175.3 | 0 | 0 | 0 | 0 | 107.4 | L13 C17 L37 R38 | L13-V15 PolarHBondContact O-N 2.66Å; V15-C17 PolarHBondContact O-N 2.66Å; V15-L37 HydrophobicContact CG2-CB 3.88Å; V15-L37 HydrophobicContact CG2-CD1 3.84Å; V15-L37 HydrophobicContact CG2-CG 4.46Å; V15-R38 HydrophobicContact CG1-CG 4.24Å | ||
| 16 | H | 64.2 | Low | 68.2 | Low | 122 Ų | 122 | 121.1 Ų | 121.1 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | trans | -81.6 | 103.4 | 179.1 | -69 | 16 | 0 | 0 | 0 | 109.3 | G18 | H16-G18 VanDerWaalsContact C-N 3.31Å; H16-G18 PolarHBondContact O-N 3.46Å | ||
| 17 | C | 55 | Low | 68.1 | Low | 110 Ų | 110 | 117 Ų | 117 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | trans | -91 | 50.7 | 172.5 | -71 | 0 | 0 | 0 | 0 | 111.4 | V15 | V15-C17 PolarHBondContact O-N 2.66Š| ||
| 18 | G | 51.3 | Low | 68 | Low | 51 Ų | 51 | 112.9 Ų | 112.9 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | trans | -81.7 | 139.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H16 G20 | H16-G18 VanDerWaalsContact C-N 3.31Å; H16-G18 PolarHBondContact O-N 3.46Å; G18-G20 PolarHBondContact O-N 2.95Å | ||
| 19 | E | 43.7 | Very low | 68.1 | Low | 216 Ų | 216 | 110.1 Ų | 110.1 | 100% | 1.009 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -59.3 | 89.8 | 171.4 | -67.1 | 177.4 | 163.4 | 0 | 0 | 110.6 | ||
| 20 | G | 50.7 | Low | 68.1 | Low | 69 Ų | 69 | 105 Ų | 105 | 71% | 0.711 | 60% | 0.603 | S | S | * | * | trans | 162.5 | 18.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | G18 E22 | G18-G20 PolarHBondContact O-N 2.95Å; G20-E22 PolarHBondContact O-N 3.33Å | ||
| 21 | T | 52.2 | Low | 68 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | trans | -91.3 | 104.2 | 175.6 | 58.2 | 0 | 0 | 0 | 0 | 108.7 | R38 | T21-R38 VanDerWaalsContact CG2-NH1 3.3Š| ||
| 22 | E | 51.8 | Low | 68 | Low | 172 Ų | 172 | 106.5 Ų | 106.5 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | trans | -34 | 151.3 | 163.7 | -58.6 | 177.7 | 156.1 | 0 | 0 | 111.9 | G20 V24 | G20-E22 PolarHBondContact O-N 3.33Å; E22-V24 WeakPolarHBondContact O-CG2 3.42Å; E22-V24 PolarHBondContact O-N 2.91Å | ||
| 23 | D | 54.3 | Low | 67.9 | Low | 179 Ų | 179 | 104.2 Ų | 104.2 | 96% | 0.957 | 60% | 0.599 | S | S | * | * | trans | -50.7 | 81.7 | 174.5 | -78.7 | -41.8 | 0 | 0 | 0 | 111.5 | D25 | D23-D25 PolarHBondContact O-N 3.24Š| ||
| 24 | V | 57.8 | Low | 67.7 | Low | 57 Ų | 57 | 102.9 Ų | 102.9 | 35% | 0.345 | 59% | 0.589 | S | S | . | * | trans | -74.8 | 118.6 | 172.2 | 179.4 | 0 | 0 | 0 | 0 | 106 | E22 L26 E35 | E22-V24 WeakPolarHBondContact O-CG2 3.42Å; E22-V24 PolarHBondContact O-N 2.91Å; V24-L26 WeakPolarHBondContact O-CG 3.37Å; V24-L26 PolarHBondContact O-N 3.12Å; V24-E35 HydrophobicContact CG1-CG 4.14Å | ||
| 25 | D | 62.9 | Low | 67.8 | Low | 117 Ų | 117 | 100.4 Ų | 100.4 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | trans | -64.1 | 95.8 | 171.3 | -178.5 | 9.3 | 0 | 0 | 0 | 109.8 | D23 S27 | D23-D25 PolarHBondContact O-N 3.24Å; D25-S27 PolarHBondContact O-N 3.44Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.48Å; D25-S27 PolarHBondContact OD1-N 3.27Å; D25-S27 VanDerWaalsContact OD1-N 3.16Å; D25-S27 PolarHBondContact OD1-OG 3.1Å; D25-S27 PolarHBondContact OD2-OG 3.44Å | ||
| 26 | L | 65.1 | Low | 68.3 | Low | 71 Ų | 71 | 105 Ų | 105 | 37% | 0.372 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | 4.2 | -179.6 | -66.6 | 164.8 | 0 | 0 | 0 | 113.2 | V24 Q39 L42 | V24-L26 WeakPolarHBondContact O-CG 3.37Å; V24-L26 PolarHBondContact O-N 3.12Å; L26-Q39 HydrophobicContact CD2-CB 4.44Å; L26-Q39 PolarHBondContact O-NE2 2.97Å; L26-Q39 VanDerWaalsContact O-NE2 3.15Å; L26-L42 HydrophobicContact CD1-CD1 3.31Å |
| 27 | S | 69.7 | Low | 69.4 | Low | 100 Ų | 100 | 100.9 Ų | 100.9 | 70% | 0.699 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -20.9 | 178.8 | 77.3 | 0 | 0 | 0 | 0 | 113.6 | D25 | D25-S27 PolarHBondContact O-N 3.44Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.48Å; D25-S27 PolarHBondContact OD1-N 3.27Å; D25-S27 VanDerWaalsContact OD1-N 3.16Å; D25-S27 PolarHBondContact OD1-OG 3.1Å; D25-S27 PolarHBondContact OD2-OG 3.44Å |
| 28 | G | 78.1 | Confident | 70.8 | Confident | 29 Ų | 29 | 98.1 Ų | 98.1 | 30% | 0.299 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -88.7 | 169.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 29 | P | 84.1 | Confident | 72.4 | Confident | 118 Ų | 118 | 98.4 Ų | 98.4 | 77% | 0.766 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 132.8 | 172.4 | 25.9 | -32.4 | 0 | 0 | 0 | 110.7 | ||
| 30 | P | 85.3 | Confident | 74.5 | Confident | 53 Ų | 53 | 90.6 Ų | 90.6 | 34% | 0.344 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 137.6 | -175.6 | 23.3 | -29.2 | 0 | 0 | 0 | 110.9 | E35 Y36 | P30-E35 HydrophobicContact CB-CB 4.08Å; P30-Y36 HydrophobicContact CG-CD2 3.84Å; P30-Y36 HydrophobicContact CG-CG 4.41Å |
| 31 | R | 84.9 | Confident | 76.3 | Confident | 239 Ų | 239 | 91.1 Ų | 91.1 | 90% | 0.902 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -97.6 | -15.4 | -177.6 | -65.2 | -177.4 | 179.3 | -176.2 | 1.3 | 112.6 | E35 | R31-E35 PolarHBondContact N-OE2 3.35Š|
| 32 | N | 85.3 | Confident | 77.9 | Confident | 62 Ų | 62 | 91.3 Ų | 91.3 | 33% | 0.332 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -135.9 | 160.8 | 176.5 | 68.4 | 50.1 | 0 | 0 | 0 | 112.8 | Q34 E35 Y36 | N32-Q34 VanDerWaalsContact C-N 3.28Å; N32-Q34 PolarHBondContact O-N 3.06Å; N32-Q34 PolarHBondContact OD1-N 3.38Å; N32-Q34 VanDerWaalsContact OD1-N 3.16Å; N32-E35 VanDerWaalsContact CG-CD 3.44Å; N32-E35 PolarHBondContact N-OE2 3.39Å; N32-E35 WeakPolarHBondContact ND2-CG 3.48Å; N32-E35 PolarHBondContact ND2-OE1 3.15Å; N32-E35 PolarHBondContact O-N 3.43Å; N32-E35 VanDerWaalsContact OD1-CB 3.22Å; N32-E35 WeakPolarHBondContact OD1-CB 3.41Å; N32-E35 WeakPolarHBondContact OD1-CG 3.5Å; N32-E35 PolarHBondContact OD1-N 2.85Å; N32-Y36 PolarHBondContact O-N 3.31Å |
| 33 | P | 84.7 | Confident | 79.7 | Confident | 104 Ų | 104 | 89 Ų | 89 | 68% | 0.675 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.7 | -27.5 | -179.2 | -23.6 | 34.7 | 0 | 0 | 0 | 114.4 | L37 | P33-L37 WeakPolarHBondContact O-CG 3.46Å; P33-L37 PolarHBondContact O-N 2.72Å; P33-L37 VanDerWaalsContact O-N 3.09Å |
| 34 | Q | 84.1 | Confident | 81.3 | Confident | 81 Ų | 81 | 83.4 Ų | 83.4 | 38% | 0.379 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -75.2 | -39.2 | -178.7 | -67 | -175.1 | -9.8 | 0 | 0 | 112.1 | N32 L37 R38 | N32-Q34 VanDerWaalsContact C-N 3.28Å; N32-Q34 PolarHBondContact O-N 3.06Å; N32-Q34 PolarHBondContact OD1-N 3.38Å; N32-Q34 VanDerWaalsContact OD1-N 3.16Å; Q34-L37 PolarHBondContact O-N 3.1Å; Q34-R38 WeakPolarHBondContact O-CG 3.16Å; Q34-R38 PolarHBondContact O-N 3.44Å |
| 35 | E | 83.1 | Confident | 82.8 | Confident | 41 Ų | 41 | 84.9 Ų | 84.9 | 19% | 0.192 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 171.7 | -77.2 | 167.2 | -167.8 | 0 | 0 | 110.4 | V24 P30 R31 N32 L37 R38 Q39 | V24-E35 HydrophobicContact CG1-CG 4.14Å; P30-E35 HydrophobicContact CB-CB 4.08Å; R31-E35 PolarHBondContact N-OE2 3.35Å; N32-E35 VanDerWaalsContact CG-CD 3.44Å; N32-E35 PolarHBondContact N-OE2 3.39Å; N32-E35 WeakPolarHBondContact ND2-CG 3.48Å; N32-E35 PolarHBondContact ND2-OE1 3.15Å; N32-E35 PolarHBondContact O-N 3.43Å; N32-E35 VanDerWaalsContact OD1-CB 3.22Å; N32-E35 WeakPolarHBondContact OD1-CB 3.41Å; N32-E35 WeakPolarHBondContact OD1-CG 3.5Å; N32-E35 PolarHBondContact OD1-N 2.85Å; E35-L37 PolarHBondContact O-N 3.49Å; E35-R38 PolarHBondContact O-N 3.49Å; E35-Q39 WeakPolarHBondContact O-CB 3.49Å; E35-Q39 PolarHBondContact O-N 2.97Å |
| 36 | Y | 85.6 | Confident | 84.1 | Confident | 132 Ų | 132 | 86.4 Ų | 86.4 | 52% | 0.518 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.6 | -49.5 | 175.2 | 177 | -102.9 | 0 | 0 | 0 | 111.6 | P30 N32 R38 Q39 V40 | P30-Y36 HydrophobicContact CG-CD2 3.84Å; P30-Y36 HydrophobicContact CG-CG 4.41Å; N32-Y36 PolarHBondContact O-N 3.31Å; Y36-R38 VanDerWaalsContact C-N 3.3Å; Y36-R38 PolarHBondContact O-N 2.78Å; Y36-Q39 PolarHBondContact O-N 3.21Å; Y36-V40 HydrophobicContact CD1-CG2 4.32Å; Y36-V40 HydrophobicContact CD2-CG2 4.34Å; Y36-V40 HydrophobicContact CE1-CG2 3.91Å; Y36-V40 HydrophobicContact CE2-CG2 3.93Å; Y36-V40 VanDerWaalsContact O-CG2 3.31Å; Y36-V40 WeakPolarHBondContact O-CG2 3.45Å; Y36-V40 PolarHBondContact O-N 3.45Å |
| 37 | L | 87.8 | Confident | 85.3 | Confident | 36 Ų | 36 | 86.5 Ų | 86.5 | 19% | 0.188 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.8 | -33.7 | 179.4 | -70.1 | 176.1 | 0 | 0 | 0 | 113 | L13 V15 P33 Q34 E35 Q41 | L13-L37 HydrophobicContact CB-CD1 3.81Å; L13-L37 HydrophobicContact CD1-CD1 4.03Å; L13-L37 HydrophobicContact CD1-CD2 3.84Å; V15-L37 HydrophobicContact CG2-CB 3.88Å; V15-L37 HydrophobicContact CG2-CD1 3.84Å; V15-L37 HydrophobicContact CG2-CG 4.46Å; P33-L37 WeakPolarHBondContact O-CG 3.46Å; P33-L37 PolarHBondContact O-N 2.72Å; P33-L37 VanDerWaalsContact O-N 3.09Å; Q34-L37 PolarHBondContact O-N 3.1Å; E35-L37 PolarHBondContact O-N 3.49Å; L37-Q41 WeakPolarHBondContact O-CB 3.29Å; L37-Q41 VanDerWaalsContact O-CG 3.29Å; L37-Q41 WeakPolarHBondContact O-CG 3.48Å; L37-Q41 PolarHBondContact O-N 3.21Å |
| 38 | R | 83.6 | Confident | 86.4 | Confident | 52 Ų | 52 | 86.2 Ų | 86.2 | 20% | 0.196 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -69.5 | -42.7 | 173.1 | -73 | -173.5 | -142.6 | 155.9 | 8.2 | 112.3 | V15 T21 Q34 E35 Y36 V40 Q41 L42 | V15-R38 HydrophobicContact CG1-CG 4.24Å; T21-R38 VanDerWaalsContact CG2-NH1 3.3Å; Q34-R38 WeakPolarHBondContact O-CG 3.16Å; Q34-R38 PolarHBondContact O-N 3.44Å; E35-R38 PolarHBondContact O-N 3.49Å; Y36-R38 VanDerWaalsContact C-N 3.3Å; Y36-R38 PolarHBondContact O-N 2.78Å; R38-V40 VanDerWaalsContact C-N 3.29Å; R38-V40 PolarHBondContact O-N 2.92Å; R38-Q41 PolarHBondContact O-N 2.88Å; R38-L42 WeakPolarHBondContact O-CG 3.31Å; R38-L42 PolarHBondContact O-N 3.25Å |
| 39 | Q | 86.1 | Confident | 87.1 | Confident | 58 Ų | 58 | 92.8 Ų | 92.8 | 27% | 0.271 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.6 | -170.6 | 174.4 | 14.2 | 0 | 0 | 110.8 | L26 E35 Y36 L42 E43 | L26-Q39 HydrophobicContact CD2-CB 4.44Å; L26-Q39 PolarHBondContact O-NE2 2.97Å; L26-Q39 VanDerWaalsContact O-NE2 3.15Å; E35-Q39 WeakPolarHBondContact O-CB 3.49Å; E35-Q39 PolarHBondContact O-N 2.97Å; Y36-Q39 PolarHBondContact O-N 3.21Å; Q39-L42 PolarHBondContact O-N 3.22Å; Q39-E43 WeakPolarHBondContact O-CB 3.45Å; Q39-E43 PolarHBondContact O-N 3.44Å |
| 40 | V | 88.4 | Confident | 87.5 | Confident | 51 Ų | 51 | 92.5 Ų | 92.5 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 174.5 | 172.1 | 0 | 0 | 0 | 0 | 112 | Y36 R38 L42 E43 A44 | Y36-V40 HydrophobicContact CD1-CG2 4.32Å; Y36-V40 HydrophobicContact CD2-CG2 4.34Å; Y36-V40 HydrophobicContact CE1-CG2 3.91Å; Y36-V40 HydrophobicContact CE2-CG2 3.93Å; Y36-V40 VanDerWaalsContact O-CG2 3.31Å; Y36-V40 WeakPolarHBondContact O-CG2 3.45Å; Y36-V40 PolarHBondContact O-N 3.45Å; R38-V40 VanDerWaalsContact C-N 3.29Å; R38-V40 PolarHBondContact O-N 2.92Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 3.48Å; V40-E43 PolarHBondContact O-N 2.84Å; V40-A44 WeakPolarHBondContact O-CB 3.16Å; V40-A44 PolarHBondContact O-N 3.1Å |
| 41 | Q | 86.7 | Confident | 87.9 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 175.2 | -79.7 | 176.5 | -10.1 | 0 | 0 | 112.1 | L37 R38 S45 | L37-Q41 WeakPolarHBondContact O-CB 3.29Å; L37-Q41 VanDerWaalsContact O-CG 3.29Å; L37-Q41 WeakPolarHBondContact O-CG 3.48Å; L37-Q41 PolarHBondContact O-N 3.21Å; R38-Q41 PolarHBondContact O-N 2.88Å; Q41-S45 WeakPolarHBondContact O-CB 3.28Å; Q41-S45 PolarHBondContact O-N 3.35Å |
| 42 | L | 86.8 | Confident | 88.4 | Confident | 85 Ų | 85 | 90.2 Ų | 90.2 | 45% | 0.445 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -47.3 | 177.1 | -71.3 | 167.7 | 0 | 0 | 0 | 111.6 | L26 R38 Q39 V40 A44 S45 L46 | L26-L42 HydrophobicContact CD1-CD1 3.31Å; R38-L42 WeakPolarHBondContact O-CG 3.31Å; R38-L42 PolarHBondContact O-N 3.25Å; Q39-L42 PolarHBondContact O-N 3.22Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 3.48Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.02Å; L42-S45 WeakPolarHBondContact CA-OG 3.48Å; L42-S45 PolarHBondContact O-N 3.31Å; L42-S45 VanDerWaalsContact O-N 3.1Å; L42-S45 PolarHBondContact O-OG 3.06Å; L42-L46 WeakPolarHBondContact O-CG 3.35Å; L42-L46 PolarHBondContact O-N 3.33Å |
| 43 | E | 89.4 | Confident | 88.7 | Confident | 122 Ų | 122 | 91.1 Ų | 91.1 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.2 | -46.7 | 174.7 | -177.3 | 179.6 | -163.7 | 0 | 0 | 111.3 | Q39 V40 S45 L46 C47 | Q39-E43 WeakPolarHBondContact O-CB 3.45Å; Q39-E43 PolarHBondContact O-N 3.44Å; V40-E43 PolarHBondContact O-N 2.84Å; E43-S45 VanDerWaalsContact C-N 3.3Å; E43-S45 PolarHBondContact O-N 3.41Å; E43-L46 WeakPolarHBondContact O-CB 3.22Å; E43-L46 PolarHBondContact O-N 3.16Å; E43-L46 VanDerWaalsContact O-N 3.12Å; E43-C47 PolarHBondContact O-N 3.09Å; E43-C47 VanDerWaalsContact O-N 3.1Å; E43-C47 PolarHBondContact O-SG 3.09Å |
| 44 | A | 88.4 | Confident | 88.9 | Confident | 62 Ų | 62 | 95.5 Ų | 95.5 | 51% | 0.512 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | V40 L42 L46 C47 | V40-A44 WeakPolarHBondContact O-CB 3.16Å; V40-A44 PolarHBondContact O-N 3.1Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.02Å; A44-L46 VanDerWaalsContact C-N 3.28Å; A44-L46 PolarHBondContact O-N 2.8Å; A44-C47 WeakPolarHBondContact O-CB 3.37Å; A44-C47 PolarHBondContact O-N 3.27Å |
| 45 | S | 88.4 | Confident | 89 | Confident | 88 Ų | 88 | 97.1 Ų | 97.1 | 62% | 0.615 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.8 | -23.5 | 175.6 | 76.1 | 0 | 0 | 0 | 0 | 113.9 | Q41 L42 E43 | Q41-S45 WeakPolarHBondContact O-CB 3.28Å; Q41-S45 PolarHBondContact O-N 3.35Å; L42-S45 WeakPolarHBondContact CA-OG 3.48Å; L42-S45 PolarHBondContact O-N 3.31Å; L42-S45 VanDerWaalsContact O-N 3.1Å; L42-S45 PolarHBondContact O-OG 3.06Å; E43-S45 VanDerWaalsContact C-N 3.3Å; E43-S45 PolarHBondContact O-N 3.41Å |
| 46 | L | 90.5 | Very high | 89.2 | Confident | 150 Ų | 150 | 99.6 Ų | 99.6 | 79% | 0.785 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -81.4 | -27.3 | 173.9 | -66.1 | 170.6 | 0 | 0 | 0 | 111.7 | L42 E43 A44 | L42-L46 WeakPolarHBondContact O-CG 3.35Å; L42-L46 PolarHBondContact O-N 3.33Å; E43-L46 WeakPolarHBondContact O-CB 3.22Å; E43-L46 PolarHBondContact O-N 3.16Å; E43-L46 VanDerWaalsContact O-N 3.12Å; A44-L46 VanDerWaalsContact C-N 3.28Å; A44-L46 PolarHBondContact O-N 2.8Å |
| 47 | C | 91.3 | Very high | 88.9 | Confident | 73 Ų | 73 | 97.1 Ų | 97.1 | 49% | 0.493 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -71.6 | 141.1 | 174.6 | -71.5 | 0 | 0 | 0 | 0 | 111.1 | E43 A44 D49 | E43-C47 PolarHBondContact O-N 3.09Å; E43-C47 VanDerWaalsContact O-N 3.1Å; E43-C47 PolarHBondContact O-SG 3.09Å; A44-C47 WeakPolarHBondContact O-CB 3.37Å; A44-C47 PolarHBondContact O-N 3.27Å; C47-D49 PolarHBondContact O-N 3.22Å |
| 48 | P | 92.8 | Very high | 88.5 | Confident | 93 Ų | 93 | 104 Ų | 104 | 60% | 0.604 | 58% | 0.581 | S | S | * | * | trans | -64.7 | 132.4 | 171.9 | 26.7 | -33.7 | 0 | 0 | 0 | 110.7 | V50 V51 | P48-V50 VanDerWaalsContact C-N 3.29Å; P48-V50 PolarHBondContact O-N 3.3Å; P48-V51 HydrophobicContact CB-CG1 4.1Å; P48-V51 HydrophobicContact CG-CG1 3.45Å; P48-V51 VanDerWaalsContact CG-CG1 3.45Å | ||
| 49 | D | 91.1 | Very high | 88.1 | Confident | 167 Ų | 167 | 108.9 Ų | 108.9 | 89% | 0.893 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -62.7 | -34.6 | -177.2 | -168.5 | 43.4 | 0 | 0 | 0 | 112.9 | C47 | C47-D49 PolarHBondContact O-N 3.22Š|
| 50 | V | 93.8 | Very high | 87.5 | Confident | 113 Ų | 113 | 111.6 Ų | 111.6 | 69% | 0.685 | 62% | 0.62 | S | S | * | * | trans | -129.4 | 128.8 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | P48 | P48-V50 VanDerWaalsContact C-N 3.29Å; P48-V50 PolarHBondContact O-N 3.3Å | ||
| 51 | V | 94.1 | Very high | 86.4 | Confident | 113 Ų | 113 | 117.6 Ų | 117.6 | 69% | 0.685 | 64% | 0.642 | S | S | * | * | trans | -121.1 | 138.3 | 173.5 | -66.2 | 0 | 0 | 0 | 0 | 110.2 | P48 | P48-V51 HydrophobicContact CB-CG1 4.1Å; P48-V51 HydrophobicContact CG-CG1 3.45Å; P48-V51 VanDerWaalsContact CG-CG1 3.45Å | ||
| 52 | V | 93.9 | Very high | 85.5 | Confident | 131 Ų | 131 | 122.9 Ų | 122.9 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | trans | -119.7 | 117.1 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 53 | A | 91.8 | Very high | 84.8 | Confident | 81 Ų | 81 | 124.6 Ų | 124.6 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | trans | -87.4 | 130.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 54 | Q | 89.6 | Confident | 84.2 | Confident | 195 Ų | 195 | 127.4 Ų | 127.4 | 91% | 0.911 | 69% | 0.691 | S | S | * | * | trans | -78 | 120.2 | 174.3 | -70.4 | -96.2 | -15.6 | 0 | 0 | 109.7 | ||||
| 55 | I | 86.7 | Confident | 83.9 | Confident | 115 Ų | 115 | 130.2 Ų | 130.2 | 59% | 0.59 | 70% | 0.702 | S | S | * | * | trans | -117.8 | 137.3 | 179.6 | -58.1 | 170.3 | 0 | 0 | 0 | 109.4 | P57 L60 | I55-P57 VanDerWaalsContact O-CD 3.28Å; I55-P57 WeakPolarHBondContact O-CD 3.49Å; I55-L60 HydrophobicContact CG2-CD1 4.27Å | ||
| 56 | D | 86.8 | Confident | 83.8 | Confident | 94 Ų | 94 | 132.7 Ų | 132.7 | 50% | 0.503 | 71% | 0.713 | S | S | . | * | trans | -61.7 | 115 | 177.3 | -69.7 | -45 | 0 | 0 | 0 | 111.8 | K58 K59 | D56-K58 PolarHBondContact O-N 2.8Å; D56-K58 VanDerWaalsContact O-N 3.1Å; D56-K59 HydrophobicContact CB-CD 4.06Å; D56-K59 HydrophobicContact CB-CG 4.2Å; D56-K59 PolarHBondContact O-N 2.89Å; D56-K59 VanDerWaalsContact O-N 3.09Å; D56-K59 WeakPolarHBondContact OD2-CE 3.29Å; D56-K59 IonicContact OD2-NZ 2.8Å; D56-K59 PolarHBondContact OD2-NZ 3.09Å | ||
| 57 | P | 79.4 | Confident | 83.7 | Confident | 79 Ų | 79 | 132.7 Ų | 132.7 | 51% | 0.513 | 71% | 0.713 | S | S | . | * | G | 310 helix | trans | -66.8 | -19.7 | -176.1 | 25.3 | -33.9 | 0 | 0 | 0 | 113 | I55 K59 L60 K61 | I55-P57 VanDerWaalsContact O-CD 3.28Å; I55-P57 WeakPolarHBondContact O-CD 3.49Å; P57-K59 PolarHBondContact O-N 3.2Å; P57-L60 PolarHBondContact O-N 3.11Å; P57-K61 WeakPolarHBondContact O-CG 3.47Å |
| 58 | K | 79.9 | Confident | 83.4 | Confident | 181 Ų | 181 | 134.1 Ų | 134.1 | 79% | 0.787 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -65.6 | -22.8 | 176.8 | -63 | -177.4 | -178 | 176 | 0 | 112.7 | D56 | D56-K58 PolarHBondContact O-N 2.8Å; D56-K58 VanDerWaalsContact O-N 3.1Å |
| 59 | K | 74 | Confident | 83 | Confident | 155 Ų | 155 | 135 Ų | 135 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -81.9 | -19.7 | 179 | -64.1 | 176 | -179.2 | 152 | 0 | 112.8 | D56 P57 | D56-K59 HydrophobicContact CB-CD 4.06Å; D56-K59 HydrophobicContact CB-CG 4.2Å; D56-K59 PolarHBondContact O-N 2.89Å; D56-K59 VanDerWaalsContact O-N 3.09Å; D56-K59 WeakPolarHBondContact OD2-CE 3.29Å; D56-K59 IonicContact OD2-NZ 2.8Å; D56-K59 PolarHBondContact OD2-NZ 3.09Å; P57-K59 PolarHBondContact O-N 3.2Å |
| 60 | L | 72.7 | Confident | 82.6 | Confident | 115 Ų | 115 | 132.3 Ų | 132.3 | 60% | 0.602 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -24.5 | -172.9 | -64.1 | 170.1 | 0 | 0 | 0 | 114.2 | I55 P57 K62 | I55-L60 HydrophobicContact CG2-CD1 4.27Å; P57-L60 PolarHBondContact O-N 3.11Å; L60-K62 VanDerWaalsContact C-N 3.25Å; L60-K62 PolarHBondContact O-N 3.16Å; L60-K62 VanDerWaalsContact O-N 3.16Å |
| 61 | K | 66.7 | Low | 82 | Confident | 176 Ų | 176 | 130.4 Ų | 130.4 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -7.2 | -171.9 | -73.6 | -177.4 | 179.7 | -169.3 | 0 | 116.1 | P57 | P57-K61 WeakPolarHBondContact O-CG 3.47Š|
| 62 | K | 68.1 | Low | 81.6 | Confident | 192 Ų | 192 | 126.9 Ų | 126.9 | 84% | 0.835 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11.7 | -169.8 | -77.8 | -174.7 | 175.6 | -177.1 | 0 | 115.2 | L60 | L60-K62 VanDerWaalsContact C-N 3.25Å; L60-K62 PolarHBondContact O-N 3.16Å; L60-K62 VanDerWaalsContact O-N 3.16Å |
| 63 | T | 70.5 | Confident | 81.3 | Confident | 121 Ų | 121 | 122 Ų | 122 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | trans | -144 | 38.6 | -166.7 | 59.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 64 | Q | 76.8 | Confident | 80.9 | Confident | 182 Ų | 182 | 122.3 Ų | 122.3 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 120.7 | 174.3 | -169.1 | 171.7 | 14.5 | 0 | 0 | 110.4 | ||
| 65 | T | 83.9 | Confident | 80.7 | Confident | 121 Ų | 121 | 117.1 Ų | 117.1 | 74% | 0.742 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 145.8 | 171.6 | 45.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 66 | V | 85.2 | Confident | 80.7 | Confident | 139 Ų | 139 | 112.8 Ų | 112.8 | 84% | 0.842 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 131.6 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 67 | N | 87.8 | Confident | 80.6 | Confident | 150 Ų | 150 | 110.2 Ų | 110.2 | 80% | 0.802 | 63% | 0.632 | S | S | * | * | trans | -83 | 112.9 | 166 | -67.3 | -37.9 | 0 | 0 | 0 | 108.3 | S69 | N67-S69 PolarHBondContact O-N 3.21Å; N67-S69 VanDerWaalsContact O-N 3.16Å | ||
| 68 | A | 85.2 | Confident | 80.8 | Confident | 103 Ų | 103 | 113.1 Ų | 113.1 | 85% | 0.851 | 65% | 0.649 | S | S | * | * | trans | -72.2 | 107.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 69 | S | 84.4 | Confident | 81 | Confident | 113 Ų | 113 | 107.1 Ų | 107.1 | 79% | 0.79 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 135 | 173.8 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | N67 | N67-S69 PolarHBondContact O-N 3.21Å; N67-S69 VanDerWaalsContact O-N 3.16Å |
| 70 | V | 83.5 | Confident | 81.6 | Confident | 109 Ų | 109 | 100.6 Ų | 100.6 | 66% | 0.661 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 130.9 | 172.4 | -171 | 0 | 0 | 0 | 0 | 109.3 | ||
| 71 | A | 81.8 | Confident | 82.4 | Confident | 74 Ų | 74 | 97.1 Ų | 97.1 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 159.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R226 | A71-R226 PolarHBondContact O-NE 3.07Š|
| 72 | G | 85.1 | Confident | 83.6 | Confident | 38 Ų | 38 | 89.4 Ų | 89.4 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | trans | -73.5 | -166.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 73 | C | 86.7 | Confident | 84.8 | Confident | 29 Ų | 29 | 83.1 Ų | 83.1 | 20% | 0.196 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -72 | 146.7 | 170.7 | -78.9 | 0 | 0 | 0 | 0 | 110.8 | A225 A229 L262 | C73-A225 PolarHBondContact SG-O 3.41Å; C73-A225 VanDerWaalsContact SG-O 3.39Å; C73-A229 HydrophobicContact CB-CB 3.81Å; C73-L262 HydrophobicContact CB-CB 4.48Å; C73-L262 HydrophobicContact CB-CD2 4.23Å |
| 74 | L | 84.8 | Confident | 85.9 | Confident | 87 Ų | 87 | 80.7 Ų | 80.7 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 137.4 | 168.6 | -62.7 | -178.2 | 0 | 0 | 0 | 109.4 | A229 Q230 | L74-A229 HydrophobicContact CB-CB 4.37Å; L74-Q230 HydrophobicContact CD1-CG 4.01Å |
| 75 | A | 85 | Confident | 86.7 | Confident | 87 Ų | 87 | 75.9 Ų | 75.9 | 72% | 0.719 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 142.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 76 | A | 85.8 | Confident | 87.3 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 19% | 0.19 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 138.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F80 C81 | A76-F80 HydrophobicContact CB-CB 4.38Å; A76-C81 HydrophobicContact CB-CB 3.88Å |
| 77 | P | 86.2 | Confident | 87.7 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 26% | 0.26 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -56 | 157 | 167.1 | -23.2 | 33.3 | 0 | 0 | 0 | 111.9 | G79 F80 | P77-G79 PolarHBondContact O-N 3.3Å; P77-F80 HydrophobicContact CB-CB 4.43Å; P77-F80 HydrophobicContact CB-CD2 3.82Å; P77-F80 HydrophobicContact CB-CE2 4.25Å; P77-F80 HydrophobicContact CB-CG 4.09Å; P77-F80 HydrophobicContact CG-CG 4.37Å; P77-F80 WeakPolarHBondContact O-CB 3.33Å; P77-F80 PolarHBondContact O-N 3.46Å |
| 78 | V | 83.1 | Confident | 88.1 | Confident | 141 Ų | 141 | 65.7 Ų | 65.7 | 86% | 0.855 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 122.9 | -176.6 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | F80 | V78-F80 WeakPolarHBondContact O-CD2 3.25Š|
| 79 | G | 84.5 | Confident | 88.6 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 56% | 0.557 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -1.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | P77 Q238 | P77-G79 PolarHBondContact O-N 3.3Å; G79-Q238 PolarHBondContact O-NE2 3.01Å |
| 80 | F | 86.7 | Confident | 89.2 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -14.4 | 176.2 | -71.6 | -121.8 | 0 | 0 | 0 | 112.3 | A76 P77 V78 R232 M235 S237 Q238 L243 N247 | A76-F80 HydrophobicContact CB-CB 4.38Å; P77-F80 HydrophobicContact CB-CB 4.43Å; P77-F80 HydrophobicContact CB-CD2 3.82Å; P77-F80 HydrophobicContact CB-CE2 4.25Å; P77-F80 HydrophobicContact CB-CG 4.09Å; P77-F80 HydrophobicContact CG-CG 4.37Å; P77-F80 WeakPolarHBondContact O-CB 3.33Å; P77-F80 PolarHBondContact O-N 3.46Å; V78-F80 WeakPolarHBondContact O-CD2 3.25Å; F80-R232 HydrophobicContact CD1-CG 4.44Å; F80-M235 HydrophobicContact CE1-CB 4.07Å; F80-S237 VanDerWaalsContact CE1-O 3.31Å; F80-S237 WeakPolarHBondContact CE1-O 3.35Å; F80-S237 VanDerWaalsContact CZ-C 3.49Å; F80-S237 WeakPolarHBondContact CZ-O 3.34Å; F80-Q238 HydrophobicContact CD2-CG 3.82Å; F80-Q238 HydrophobicContact CE1-CG 4.47Å; F80-Q238 HydrophobicContact CE2-CG 3.45Å; F80-Q238 VanDerWaalsContact CE2-CG 3.45Å; F80-Q238 HydrophobicContact CG-CG 4.47Å; F80-Q238 HydrophobicContact CZ-CG 3.82Å; F80-L243 HydrophobicContact CB-CD1 4.25Å; F80-L243 HydrophobicContact CB-CD2 4.48Å; F80-L243 HydrophobicContact CD1-CD1 3.63Å; F80-L243 HydrophobicContact CD1-CD2 3.59Å; F80-L243 HydrophobicContact CD1-CG 4.25Å; F80-L243 HydrophobicContact CE1-CD1 4.49Å; F80-L243 HydrophobicContact CE1-CD2 4.05Å; F80-L243 HydrophobicContact CG-CD1 4.39Å; F80-L243 HydrophobicContact CG-CD2 4.18Å; F80-N247 PolarHBondContact O-ND2 3.09Å |
| 81 | C | 88.7 | Confident | 89.8 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 29% | 0.291 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -71.2 | 126.5 | 179.7 | -172.7 | 0 | 0 | 0 | 0 | 111 | A76 | A76-C81 HydrophobicContact CB-CB 3.88Š|
| 82 | P | 91.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 143.9 | 175.4 | 30.4 | -33.9 | 0 | 0 | 0 | 111.6 | W86 Q87 N247 | P82-W86 HydrophobicContact CB-CD2 4.13Å; P82-W86 HydrophobicContact CB-CE3 3.48Å; P82-W86 VanDerWaalsContact CB-CE3 3.48Å; P82-W86 HydrophobicContact CB-CZ3 3.84Å; P82-W86 HydrophobicContact CG-CE3 4.14Å; P82-W86 HydrophobicContact CG-CZ3 4.11Å; P82-Q87 HydrophobicContact CB-CG 4.41Å; P82-Q87 HydrophobicContact CG-CG 4.07Å; P82-Q87 PolarHBondContact O-NE2 3.2Å; P82-Q87 VanDerWaalsContact O-NE2 3.13Å; P82-N247 HydrophobicContact CG-CB 4.21Å |
| 83 | S | 93.8 | Very high | 91.1 | Very high | 60 Ų | 60 | 59 Ų | 59 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 151.3 | 174.9 | 66 | 0 | 0 | 0 | 0 | 112.6 | S85 W86 Q87 | S83-S85 VanDerWaalsContact C-N 3.29Å; S83-S85 PolarHBondContact O-N 3.02Å; S83-S85 PolarHBondContact OG-OG 3.36Å; S83-W86 WeakPolarHBondContact O-CB 3.48Å; S83-W86 PolarHBondContact O-N 3.15Å; S83-W86 VanDerWaalsContact O-N 3.15Å; S83-W86 WeakPolarHBondContact OG-CB 3.5Å; S83-W86 PolarHBondContact OG-N 3.45Å; S83-Q87 WeakPolarHBondContact O-CG 3.35Å; S83-Q87 PolarHBondContact O-N 3.34Å |
| 84 | L | 93 | Very high | 91.6 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.366 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 179.6 | -173.5 | 70.4 | 0 | 0 | 0 | 112.2 | W86 Q87 Q88 P266 | L84-W86 VanDerWaalsContact C-N 3.31Å; L84-W86 PolarHBondContact O-N 3.28Å; L84-Q87 WeakPolarHBondContact O-CB 3.28Å; L84-Q87 PolarHBondContact O-N 2.93Å; L84-Q88 HydrophobicContact CG-CG 4.48Å; L84-Q88 WeakPolarHBondContact O-CG 3.26Å; L84-Q88 PolarHBondContact O-N 3.38Å; L84-P266 HydrophobicContact CB-CG 4.05Å |
| 85 | S | 94.7 | Very high | 92.1 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 57% | 0.566 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.7 | -39 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 111.9 | S83 H89 | S83-S85 VanDerWaalsContact C-N 3.29Å; S83-S85 PolarHBondContact O-N 3.02Å; S83-S85 PolarHBondContact OG-OG 3.36Å; S85-H89 WeakPolarHBondContact O-CB 3.46Å; S85-H89 PolarHBondContact O-N 3.24Å |
| 86 | W | 95.1 | Very high | 92.7 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 173.6 | -178 | 95.4 | 0 | 0 | 0 | 110.8 | P82 S83 L84 Q88 H89 Q90 N247 L248 C251 | P82-W86 HydrophobicContact CB-CD2 4.13Å; P82-W86 HydrophobicContact CB-CE3 3.48Å; P82-W86 VanDerWaalsContact CB-CE3 3.48Å; P82-W86 HydrophobicContact CB-CZ3 3.84Å; P82-W86 HydrophobicContact CG-CE3 4.14Å; P82-W86 HydrophobicContact CG-CZ3 4.11Å; S83-W86 WeakPolarHBondContact O-CB 3.48Å; S83-W86 PolarHBondContact O-N 3.15Å; S83-W86 VanDerWaalsContact O-N 3.15Å; S83-W86 WeakPolarHBondContact OG-CB 3.5Å; S83-W86 PolarHBondContact OG-N 3.45Å; L84-W86 VanDerWaalsContact C-N 3.31Å; L84-W86 PolarHBondContact O-N 3.28Å; W86-Q88 VanDerWaalsContact C-N 3.35Å; W86-Q88 PolarHBondContact O-N 2.87Å; W86-H89 PolarHBondContact O-N 3.28Å; W86-Q90 HydrophobicContact CD2-CG 3.85Å; W86-Q90 HydrophobicContact CE3-CG 3.97Å; W86-Q90 HydrophobicContact CH2-CG 3.87Å; W86-Q90 HydrophobicContact CZ2-CG 3.72Å; W86-Q90 HydrophobicContact CZ3-CG 3.99Å; W86-Q90 WeakPolarHBondContact O-CG 3.3Å; W86-Q90 PolarHBondContact O-N 3.11Å; W86-N247 HydrophobicContact CH2-CB 4.26Å; W86-N247 HydrophobicContact CZ3-CB 4.46Å; W86-L248 HydrophobicContact CH2-CB 4.05Å; W86-L248 HydrophobicContact CH2-CD1 4.32Å; W86-C251 HydrophobicContact CZ3-CB 4.27Å |
| 87 | Q | 95 | Very high | 93.2 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.009 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.3 | -48.7 | 178.2 | -68 | -178.6 | 36.8 | 0 | 0 | 111.4 | P82 S83 L84 H89 Q90 V91 C251 D264 | P82-Q87 HydrophobicContact CB-CG 4.41Å; P82-Q87 HydrophobicContact CG-CG 4.07Å; P82-Q87 PolarHBondContact O-NE2 3.2Å; P82-Q87 VanDerWaalsContact O-NE2 3.13Å; S83-Q87 WeakPolarHBondContact O-CG 3.35Å; S83-Q87 PolarHBondContact O-N 3.34Å; L84-Q87 WeakPolarHBondContact O-CB 3.28Å; L84-Q87 PolarHBondContact O-N 2.93Å; Q87-H89 PolarHBondContact O-N 3.06Å; Q87-Q90 PolarHBondContact O-N 2.96Å; Q87-V91 VanDerWaalsContact O-CG2 3.26Å; Q87-V91 WeakPolarHBondContact O-CG2 3.49Å; Q87-V91 PolarHBondContact O-N 2.78Å; Q87-C251 VanDerWaalsContact CA-SG 3.55Å; Q87-C251 VanDerWaalsContact CB-SG 3.54Å; Q87-D264 PolarHBondContact NE2-O 3.37Å |
| 88 | Q | 94.6 | Very high | 93.6 | Very high | 121 Ų | 121 | 55.9 Ų | 55.9 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 178.5 | -71.9 | 173.4 | -12.7 | 0 | 0 | 112.4 | L84 W86 V91 S92 | L84-Q88 HydrophobicContact CG-CG 4.48Å; L84-Q88 WeakPolarHBondContact O-CG 3.26Å; L84-Q88 PolarHBondContact O-N 3.38Å; W86-Q88 VanDerWaalsContact C-N 3.35Å; W86-Q88 PolarHBondContact O-N 2.87Å; Q88-V91 PolarHBondContact O-N 3.45Å; Q88-S92 PolarHBondContact O-N 2.71Å |
| 89 | H | 96.7 | Very high | 94.1 | Very high | 105 Ų | 105 | 53.5 Ų | 53.5 | 49% | 0.486 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.7 | -176.6 | 64 | 0 | 0 | 0 | 111.6 | S85 W86 Q87 V91 S92 N93 | S85-H89 WeakPolarHBondContact O-CB 3.46Å; S85-H89 PolarHBondContact O-N 3.24Å; W86-H89 PolarHBondContact O-N 3.28Å; Q87-H89 PolarHBondContact O-N 3.06Å; H89-V91 PolarHBondContact O-N 2.95Å; H89-S92 WeakPolarHBondContact O-CB 3.48Å; H89-S92 PolarHBondContact O-N 3.35Å; H89-N93 PolarHBondContact CD2-ND2 3.09Å; H89-N93 VanDerWaalsContact CD2-ND2 3.29Å; H89-N93 PolarHBondContact CE1-ND2 3.13Å; H89-N93 PolarHBondContact CE1-OD1 3.48Å; H89-N93 PolarHBondContact NE2-ND2 3.06Å; H89-N93 VanDerWaalsContact O-CG 3.26Å; H89-N93 PolarHBondContact O-N 3.16Å |
| 90 | Q | 96.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 53.7 Ų | 53.7 | 20% | 0.201 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 178.3 | -60.5 | -52.1 | -8.4 | 0 | 0 | 113.1 | W86 Q87 S92 N93 F94 L248 | W86-Q90 HydrophobicContact CD2-CG 3.85Å; W86-Q90 HydrophobicContact CE3-CG 3.97Å; W86-Q90 HydrophobicContact CH2-CG 3.87Å; W86-Q90 HydrophobicContact CZ2-CG 3.72Å; W86-Q90 HydrophobicContact CZ3-CG 3.99Å; W86-Q90 WeakPolarHBondContact O-CG 3.3Å; W86-Q90 PolarHBondContact O-N 3.11Å; Q87-Q90 PolarHBondContact O-N 2.96Å; Q90-S92 VanDerWaalsContact C-N 3.31Å; Q90-S92 PolarHBondContact O-N 2.68Å; Q90-N93 PolarHBondContact O-N 3.29Å; Q90-F94 VanDerWaalsContact O-CB 3.24Å; Q90-F94 WeakPolarHBondContact O-CB 3.47Å; Q90-F94 PolarHBondContact O-N 3.34Å; Q90-L248 HydrophobicContact CB-CD1 3.77Å; Q90-L248 HydrophobicContact CG-CD1 3.89Å |
| 91 | V | 96.3 | Very high | 94.7 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | Q87 Q88 H89 S95 R255 Y256 | Q87-V91 VanDerWaalsContact O-CG2 3.26Å; Q87-V91 WeakPolarHBondContact O-CG2 3.49Å; Q87-V91 PolarHBondContact O-N 2.78Å; Q88-V91 PolarHBondContact O-N 3.45Å; H89-V91 PolarHBondContact O-N 2.95Å; V91-S95 PolarHBondContact O-N 2.71Å; V91-S95 VanDerWaalsContact O-N 3.07Å; V91-R255 HydrophobicContact CG2-CB 3.58Å; V91-R255 HydrophobicContact CG2-CG 4.45Å; V91-Y256 HydrophobicContact CG1-CD2 3.96Å |
| 92 | S | 96.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.7 | -51.9 | 175 | -168.8 | 0 | 0 | 0 | 0 | 111.4 | Q88 H89 Q90 F94 S95 D96 | Q88-S92 PolarHBondContact O-N 2.71Å; H89-S92 WeakPolarHBondContact O-CB 3.48Å; H89-S92 PolarHBondContact O-N 3.35Å; Q90-S92 VanDerWaalsContact C-N 3.31Å; Q90-S92 PolarHBondContact O-N 2.68Å; S92-F94 VanDerWaalsContact C-N 3.26Å; S92-F94 PolarHBondContact O-N 3.11Å; S92-S95 WeakPolarHBondContact O-CA 3.37Å; S92-S95 VanDerWaalsContact O-CB 3.24Å; S92-S95 WeakPolarHBondContact O-CB 3.49Å; S92-S95 PolarHBondContact O-N 3.17Å; S92-D96 PolarHBondContact O-N 2.82Å; S92-D96 VanDerWaalsContact O-N 3.11Å |
| 93 | N | 97.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 179.1 | -68.8 | -14.5 | 0 | 0 | 0 | 111.6 | H89 Q90 S95 D96 V97 | H89-N93 PolarHBondContact CD2-ND2 3.09Å; H89-N93 VanDerWaalsContact CD2-ND2 3.29Å; H89-N93 PolarHBondContact CE1-ND2 3.13Å; H89-N93 PolarHBondContact CE1-OD1 3.48Å; H89-N93 PolarHBondContact NE2-ND2 3.06Å; H89-N93 VanDerWaalsContact O-CG 3.26Å; H89-N93 PolarHBondContact O-N 3.16Å; Q90-N93 PolarHBondContact O-N 3.29Å; N93-S95 VanDerWaalsContact C-N 3.33Å; N93-S95 PolarHBondContact O-N 3.11Å; N93-D96 PolarHBondContact O-N 3.06Å; N93-V97 WeakPolarHBondContact O-CG2 3.24Å; N93-V97 PolarHBondContact O-N 2.95Å |
| 94 | F | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 177.6 | -173.5 | -108 | 0 | 0 | 0 | 112 | Q90 S92 D96 V97 R98 Y203 L206 A207 L252 Y256 F257 | Q90-F94 VanDerWaalsContact O-CB 3.24Å; Q90-F94 WeakPolarHBondContact O-CB 3.47Å; Q90-F94 PolarHBondContact O-N 3.34Å; S92-F94 VanDerWaalsContact C-N 3.26Å; S92-F94 PolarHBondContact O-N 3.11Å; F94-D96 VanDerWaalsContact C-N 3.33Å; F94-D96 PolarHBondContact O-N 2.92Å; F94-V97 PolarHBondContact O-N 3.46Å; F94-R98 HydrophobicContact CD1-CG 4.33Å; F94-R98 VanDerWaalsContact CE1-CD 3.44Å; F94-R98 HydrophobicContact CE1-CG 4.08Å; F94-R98 HydrophobicContact CZ-CG 4.22Å; F94-R98 WeakPolarHBondContact O-CG 3.48Å; F94-R98 PolarHBondContact O-N 3.02Å; F94-Y203 HydrophobicContact CD2-CD2 4.43Å; F94-Y203 HydrophobicContact CD2-CE1 4.38Å; F94-Y203 AromaticContact CD2-CE2 3.64Å; F94-Y203 HydrophobicContact CD2-CE2 3.64Å; F94-Y203 AromaticContact CD2-CZ 3.61Å; F94-Y203 HydrophobicContact CE2-CD2 4.34Å; F94-Y203 HydrophobicContact CE2-CE1 4.45Å; F94-Y203 AromaticContact CE2-CE2 3.96Å; F94-Y203 HydrophobicContact CE2-CE2 3.96Å; F94-L206 HydrophobicContact CE2-CB 4.48Å; F94-L206 HydrophobicContact CZ-CB 3.95Å; F94-A207 HydrophobicContact CE2-CB 3.83Å; F94-A207 HydrophobicContact CZ-CB 4.12Å; F94-L252 HydrophobicContact CB-CD2 3.58Å; F94-L252 HydrophobicContact CD1-CD2 3.82Å; F94-L252 HydrophobicContact CD2-CD1 3.72Å; F94-L252 HydrophobicContact CD2-CD2 4Å; F94-L252 HydrophobicContact CE1-CD2 4.45Å; F94-L252 HydrophobicContact CE2-CD1 3.78Å; F94-L252 HydrophobicContact CG-CD1 4.14Å; F94-L252 HydrophobicContact CG-CD2 3.53Å; F94-L252 HydrophobicContact CG-CG 4.46Å; F94-L252 HydrophobicContact CZ-CD1 4.23Å; F94-Y256 AromaticContact CD1-CD1 3.59Å; F94-Y256 HydrophobicContact CD1-CD1 3.59Å; F94-Y256 AromaticContact CD1-CD2 3.62Å; F94-Y256 HydrophobicContact CD1-CD2 3.62Å; F94-Y256 AromaticContact CD1-CE1 3.7Å; F94-Y256 HydrophobicContact CD1-CE1 3.7Å; F94-Y256 AromaticContact CD1-CE2 3.73Å; F94-Y256 HydrophobicContact CD1-CE2 3.73Å; F94-Y256 AromaticContact CD1-CG 3.56Å; F94-Y256 HydrophobicContact CD1-CG 3.56Å; F94-Y256 AromaticContact CD1-CZ 3.79Å; F94-Y256 AromaticContact CE1-CD1 3.44Å; F94-Y256 HydrophobicContact CE1-CD1 3.44Å; F94-Y256 VanDerWaalsContact CE1-CD1 3.44Å; F94-Y256 HydrophobicContact CE1-CD2 4.34Å; F94-Y256 AromaticContact CE1-CE1 3.49Å; F94-Y256 HydrophobicContact CE1-CE1 3.49Å; F94-Y256 VanDerWaalsContact CE1-CE1 3.49Å; F94-Y256 HydrophobicContact CE1-CE2 4.39Å; F94-Y256 AromaticContact CE1-CG 3.9Å; F94-Y256 HydrophobicContact CE1-CG 3.9Å; F94-F257 HydrophobicContact CE1-CE2 4.11Å; F94-F257 HydrophobicContact CE1-CZ 4.15Å; F94-F257 HydrophobicContact CZ-CE2 4.37Å; F94-F257 HydrophobicContact CZ-CZ 4.4Å |
| 95 | S | 96.2 | Very high | 94.4 | Very high | 37 Ų | 37 | 63.7 Ų | 63.7 | 26% | 0.259 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 171.7 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | V91 S92 N93 V97 R98 Q99 | V91-S95 PolarHBondContact O-N 2.71Å; V91-S95 VanDerWaalsContact O-N 3.07Å; S92-S95 WeakPolarHBondContact O-CA 3.37Å; S92-S95 VanDerWaalsContact O-CB 3.24Å; S92-S95 WeakPolarHBondContact O-CB 3.49Å; S92-S95 PolarHBondContact O-N 3.17Å; N93-S95 VanDerWaalsContact C-N 3.33Å; N93-S95 PolarHBondContact O-N 3.11Å; S95-V97 PolarHBondContact O-N 3.27Å; S95-R98 PolarHBondContact O-N 3.29Å; S95-Q99 WeakPolarHBondContact O-CG 3.49Å; S95-Q99 PolarHBondContact O-N 3.39Å |
| 96 | D | 96.8 | Very high | 94 | Very high | 78 Ų | 78 | 64.7 Ų | 64.7 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 179.9 | -63.8 | -30.3 | 0 | 0 | 0 | 112.3 | S92 N93 F94 Q99 S100 | S92-D96 PolarHBondContact O-N 2.82Å; S92-D96 VanDerWaalsContact O-N 3.11Å; N93-D96 PolarHBondContact O-N 3.06Å; F94-D96 VanDerWaalsContact C-N 3.33Å; F94-D96 PolarHBondContact O-N 2.92Å; D96-Q99 PolarHBondContact O-N 3.03Å; D96-S100 WeakPolarHBondContact O-CB 3.33Å; D96-S100 PolarHBondContact O-N 3.07Å; D96-S100 PolarHBondContact O-OG 3.35Å |
| 97 | V | 95.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 173.4 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | N93 F94 S95 Q99 S100 I101 Y203 A207 | N93-V97 WeakPolarHBondContact O-CG2 3.24Å; N93-V97 PolarHBondContact O-N 2.95Å; F94-V97 PolarHBondContact O-N 3.46Å; S95-V97 PolarHBondContact O-N 3.27Å; V97-Q99 PolarHBondContact O-N 2.86Å; V97-S100 WeakPolarHBondContact O-CB 3.41Å; V97-S100 PolarHBondContact O-N 2.76Å; V97-S100 VanDerWaalsContact O-N 3.14Å; V97-I101 HydrophobicContact CG1-CD1 3.8Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CG1 3.24Å; V97-I101 PolarHBondContact O-N 3.41Å; V97-Y203 HydrophobicContact CG1-CE1 4.49Å; V97-A207 HydrophobicContact CG1-CB 4.4Å |
| 98 | R | 94.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 178.8 | -70.9 | -165.7 | 63.6 | -147.3 | 1 | 112.6 | F94 S95 S100 I101 S102 A207 L209 Y256 | F94-R98 HydrophobicContact CD1-CG 4.33Å; F94-R98 VanDerWaalsContact CE1-CD 3.44Å; F94-R98 HydrophobicContact CE1-CG 4.08Å; F94-R98 HydrophobicContact CZ-CG 4.22Å; F94-R98 WeakPolarHBondContact O-CG 3.48Å; F94-R98 PolarHBondContact O-N 3.02Å; S95-R98 PolarHBondContact O-N 3.29Å; R98-S100 VanDerWaalsContact C-N 3.3Å; R98-S100 PolarHBondContact O-N 2.84Å; R98-I101 PolarHBondContact O-N 2.92Å; R98-S102 WeakPolarHBondContact O-CB 3.36Å; R98-S102 PolarHBondContact O-N 3.48Å; R98-A207 WeakPolarHBondContact CD-O 3.26Å; R98-A207 HydrophobicContact CG-CB 4.09Å; R98-A207 WeakPolarHBondContact CG-O 3.39Å; R98-A207 PolarHBondContact NE-O 3.5Å; R98-L209 VanDerWaalsContact CZ-O 3.23Å; R98-L209 PolarHBondContact NH2-O 3.39Å; R98-Y256 WeakPolarHBondContact CD-OH 3.23Å; R98-Y256 PolarHBondContact NH1-OH 3.45Å |
| 99 | Q | 94 | Very high | 92.7 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 173.4 | -71.6 | -179.1 | 27.8 | 0 | 0 | 111.4 | S95 D96 V97 S102 K103 | S95-Q99 WeakPolarHBondContact O-CG 3.49Å; S95-Q99 PolarHBondContact O-N 3.39Å; D96-Q99 PolarHBondContact O-N 3.03Å; V97-Q99 PolarHBondContact O-N 2.86Å; Q99-S102 PolarHBondContact O-N 3.29Å; Q99-K103 WeakPolarHBondContact O-CB 3.16Å; Q99-K103 WeakPolarHBondContact O-CG 3.18Å; Q99-K103 PolarHBondContact O-N 2.97Å |
| 100 | S | 93.4 | Very high | 92.1 | Very high | 59 Ų | 59 | 69 Ų | 69 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 179.4 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | D96 V97 R98 N104 | D96-S100 WeakPolarHBondContact O-CB 3.33Å; D96-S100 PolarHBondContact O-N 3.07Å; D96-S100 PolarHBondContact O-OG 3.35Å; V97-S100 WeakPolarHBondContact O-CB 3.41Å; V97-S100 PolarHBondContact O-N 2.76Å; V97-S100 VanDerWaalsContact O-N 3.14Å; R98-S100 VanDerWaalsContact C-N 3.3Å; R98-S100 PolarHBondContact O-N 2.84Å; S100-N104 WeakPolarHBondContact O-CB 3.47Å; S100-N104 PolarHBondContact O-N 2.92Å |
| 101 | I | 91.5 | Very high | 91.4 | Very high | 22 Ų | 22 | 71.2 Ų | 71.2 | 11% | 0.113 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 174.5 | -67.8 | 168 | 0 | 0 | 0 | 110.1 | V97 R98 K103 N104 R105 L167 A207 | V97-I101 HydrophobicContact CG1-CD1 3.8Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CG1 3.24Å; V97-I101 PolarHBondContact O-N 3.41Å; R98-I101 PolarHBondContact O-N 2.92Å; I101-K103 PolarHBondContact O-N 3Å; I101-N104 PolarHBondContact O-N 3.47Å; I101-R105 WeakPolarHBondContact O-CA 3.41Å; I101-R105 WeakPolarHBondContact O-CB 3.39Å; I101-R105 PolarHBondContact O-N 3.14Å; I101-L167 HydrophobicContact CD1-CD2 4.41Å; I101-L167 HydrophobicContact CG1-CD2 3.87Å; I101-A207 HydrophobicContact CD1-CB 3.65Å |
| 102 | S | 90.2 | Very high | 90.5 | Very high | 92 Ų | 92 | 75.1 Ų | 75.1 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | R98 Q99 N104 R105 | R98-S102 WeakPolarHBondContact O-CB 3.36Å; R98-S102 PolarHBondContact O-N 3.48Å; Q99-S102 PolarHBondContact O-N 3.29Å; S102-N104 PolarHBondContact O-N 3.01Å; S102-R105 PolarHBondContact O-N 3.28Å |
| 103 | K | 91.7 | Very high | 89.6 | Confident | 144 Ų | 144 | 74.5 Ų | 74.5 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 177.9 | -74.2 | 168.9 | -173.9 | 172.6 | 0 | 112.5 | Q99 I101 | Q99-K103 WeakPolarHBondContact O-CB 3.16Å; Q99-K103 WeakPolarHBondContact O-CG 3.18Å; Q99-K103 PolarHBondContact O-N 2.97Å; I101-K103 PolarHBondContact O-N 3Å |
| 104 | N | 90.3 | Very high | 88.4 | Confident | 80 Ų | 80 | 77 Ų | 77 | 43% | 0.428 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -96.5 | 4.7 | -172.5 | -61.4 | -15.1 | 0 | 0 | 0 | 113.3 | S100 I101 S102 T106 H107 W108 | S100-N104 WeakPolarHBondContact O-CB 3.47Å; S100-N104 PolarHBondContact O-N 2.92Å; I101-N104 PolarHBondContact O-N 3.47Å; S102-N104 PolarHBondContact O-N 3.01Å; N104-T106 PolarHBondContact O-N 3.46Å; N104-H107 WeakPolarHBondContact O-CB 3.44Å; N104-H107 PolarHBondContact O-N 2.94Å; N104-W108 PolarHBondContact O-N 2.75Å; N104-W108 VanDerWaalsContact O-N 3.08Å |
| 105 | R | 88.6 | Confident | 87.1 | Confident | 76 Ų | 76 | 84.2 Ų | 84.2 | 29% | 0.287 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | -172.5 | -166.7 | 175.8 | -174 | 171.5 | 3.4 | 112.9 | I101 S102 W108 N109 S171 F173 E210 | I101-R105 WeakPolarHBondContact O-CA 3.41Å; I101-R105 WeakPolarHBondContact O-CB 3.39Å; I101-R105 PolarHBondContact O-N 3.14Å; S102-R105 PolarHBondContact O-N 3.28Å; R105-W108 PolarHBondContact O-N 3.39Å; R105-N109 VanDerWaalsContact O-CB 3.25Å; R105-N109 WeakPolarHBondContact O-CB 3.49Å; R105-N109 PolarHBondContact O-N 2.94Å; R105-S171 PolarHBondContact NE-O 3.34Å; R105-F173 PolarHBondContact NH2-O 3.05Å; R105-E210 IonicContact CZ-OE1 2.78Å; R105-E210 IonicContact NH1-OE1 3.88Å; R105-E210 PolarHBondContact NH1-OE1 3.41Å; R105-E210 IonicContact NH2-OE1 3.37Å |
| 106 | T | 85.4 | Confident | 86 | Confident | 102 Ų | 102 | 86.3 Ų | 86.3 | 63% | 0.626 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.3 | -41.6 | 179.8 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | N104 N109 N110 | N104-T106 PolarHBondContact O-N 3.46Å; T106-N109 PolarHBondContact O-N 3.24Å; T106-N110 PolarHBondContact O-N 2.88Å; T106-N110 PolarHBondContact O-ND2 3.01Å |
| 107 | H | 88.8 | Confident | 85.2 | Confident | 113 Ų | 113 | 83.7 Ų | 83.7 | 52% | 0.523 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 176.1 | 172.8 | -88.7 | 0 | 0 | 0 | 111.3 | N104 N110 H111 | N104-H107 WeakPolarHBondContact O-CB 3.44Å; N104-H107 PolarHBondContact O-N 2.94Å; H107-N110 PolarHBondContact O-N 3.44Å; H107-H111 PolarHBondContact O-N 2.99Å |
| 108 | W | 85.1 | Confident | 84.4 | Confident | 70 Ų | 70 | 89 Ų | 89 | 27% | 0.265 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73.2 | -29.2 | -178.4 | -67.5 | 118.6 | 0 | 0 | 0 | 114 | N104 R105 N110 H111 L167 | N104-W108 PolarHBondContact O-N 2.75Å; N104-W108 VanDerWaalsContact O-N 3.08Å; R105-W108 PolarHBondContact O-N 3.39Å; W108-N110 VanDerWaalsContact C-N 3.28Å; W108-N110 PolarHBondContact O-N 2.95Å; W108-H111 HydrophobicContact CE3-CB 4.39Å; W108-H111 WeakPolarHBondContact O-CB 3.3Å; W108-H111 PolarHBondContact O-N 3.3Å; W108-L167 HydrophobicContact CD2-CB 4.05Å; W108-L167 HydrophobicContact CG-CB 3.94Å; W108-L167 HydrophobicContact CZ2-CD1 4.4Å |
| 109 | N | 83.7 | Confident | 83.9 | Confident | 75 Ų | 75 | 90.5 Ų | 90.5 | 40% | 0.401 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -34.2 | 174.7 | -169.3 | 21.9 | 0 | 0 | 0 | 112.1 | R105 T106 R172 | R105-N109 VanDerWaalsContact O-CB 3.25Å; R105-N109 WeakPolarHBondContact O-CB 3.49Å; R105-N109 PolarHBondContact O-N 2.94Å; T106-N109 PolarHBondContact O-N 3.24Å; N109-R172 PolarHBondContact O-NH2 3.28Å; N109-R172 WeakPolarHBondContact OD1-CG 3.18Å |
| 110 | N | 83 | Confident | 83.5 | Confident | 133 Ų | 133 | 87.4 Ų | 87.4 | 71% | 0.711 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -82.3 | -12.3 | 179.4 | -66.7 | -16.6 | 0 | 0 | 0 | 113.8 | T106 H107 W108 | T106-N110 PolarHBondContact O-N 2.88Å; T106-N110 PolarHBondContact O-ND2 3.01Å; H107-N110 PolarHBondContact O-N 3.44Å; W108-N110 VanDerWaalsContact C-N 3.28Å; W108-N110 PolarHBondContact O-N 2.95Å |
| 111 | H | 82.8 | Confident | 83.1 | Confident | 90 Ų | 90 | 92.5 Ų | 92.5 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -72.2 | 126.9 | -179.5 | -171.8 | -71.2 | 0 | 0 | 0 | 111.1 | H107 W108 L113 R172 | H107-H111 PolarHBondContact O-N 2.99Å; W108-H111 HydrophobicContact CE3-CB 4.39Å; W108-H111 WeakPolarHBondContact O-CB 3.3Å; W108-H111 PolarHBondContact O-N 3.3Å; H111-L113 PolarHBondContact O-N 3.34Å; H111-R172 PolarHBondContact O-NH1 3.09Å; H111-R172 PolarHBondContact O-NH2 3.29Å |
| 112 | T | 77.3 | Confident | 82.6 | Confident | 117 Ų | 117 | 96.3 Ų | 96.3 | 72% | 0.718 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 136.2 | 178.9 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 113 | L | 77.9 | Confident | 82.4 | Confident | 50 Ų | 50 | 98 Ų | 98 | 26% | 0.262 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 153.6 | 171.2 | -68.9 | 172 | 0 | 0 | 0 | 109.3 | H111 V117 M119 I169 R172 | H111-L113 PolarHBondContact O-N 3.34Å; L113-V117 HydrophobicContact CB-CB 4.38Å; L113-V117 HydrophobicContact CD1-CG1 4.35Å; L113-V117 HydrophobicContact CD2-CG1 4.45Å; L113-M119 HydrophobicContact CD1-CE 3.87Å; L113-I169 HydrophobicContact CD2-CG1 4.34Å; L113-R172 VanDerWaalsContact CG-NH1 3.34Å |
| 114 | D | 73.2 | Confident | 82.2 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 143.9 | 165.1 | -173.5 | 12.6 | 0 | 0 | 0 | 108.9 | N116 V117 | D114-N116 PolarHBondContact O-N 3.32Å; D114-N116 PolarHBondContact OD2-ND2 3.42Å; D114-V117 HydrophobicContact CB-CG2 4.32Å; D114-V117 PolarHBondContact O-N 3.38Å |
| 115 | D | 68.9 | Low | 82.1 | Confident | 152 Ų | 152 | 95.9 Ų | 95.9 | 81% | 0.813 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.5 | -175.6 | -76.7 | -23.4 | 0 | 0 | 0 | 112.2 | V117 | D115-V117 VanDerWaalsContact C-N 3.29Å; D115-V117 PolarHBondContact O-N 2.99Å |
| 116 | N | 73.8 | Confident | 82 | Confident | 81 Ų | 81 | 95.1 Ų | 95.1 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -17.1 | 177.2 | -59.6 | -42.8 | 0 | 0 | 0 | 113.6 | D114 Q118 F163 | D114-N116 PolarHBondContact O-N 3.32Å; D114-N116 PolarHBondContact OD2-ND2 3.42Å; N116-Q118 PolarHBondContact O-N 3.18Å; N116-F163 WeakPolarHBondContact O-CZ 3.4Å |
| 117 | V | 78.9 | Confident | 82.1 | Confident | 23 Ų | 23 | 90.8 Ų | 90.8 | 14% | 0.139 | 47% | 0.466 | C | S | . | . | trans | -89.5 | 87 | -176.5 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | L113 D114 D115 F131 F163 I169 | L113-V117 HydrophobicContact CB-CB 4.38Å; L113-V117 HydrophobicContact CD1-CG1 4.35Å; L113-V117 HydrophobicContact CD2-CG1 4.45Å; D114-V117 HydrophobicContact CB-CG2 4.32Å; D114-V117 PolarHBondContact O-N 3.38Å; D115-V117 VanDerWaalsContact C-N 3.29Å; D115-V117 PolarHBondContact O-N 2.99Å; V117-F131 HydrophobicContact CG1-CE2 4.14Å; V117-F131 HydrophobicContact CG1-CZ 4.08Å; V117-F163 HydrophobicContact CG2-CD1 4.19Å; V117-F163 HydrophobicContact CG2-CE1 3.76Å; V117-F163 HydrophobicContact CG2-CZ 4.42Å; V117-I169 HydrophobicContact CG1-CD1 4.19Å; V117-I169 HydrophobicContact CG1-CG1 4.23Å | ||
| 118 | Q | 79.3 | Confident | 82.1 | Confident | 161 Ų | 161 | 85.6 Ų | 85.6 | 75% | 0.752 | 44% | 0.442 | S | S | * | . | trans | -96.6 | 113.2 | 170.1 | -64 | -159.2 | -8 | 0 | 0 | 110.9 | N116 | N116-Q118 PolarHBondContact O-N 3.18Š| ||
| 119 | M | 83.1 | Confident | 82.3 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 34% | 0.335 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 128.6 | 177.5 | -65.7 | -174.7 | -176 | 0 | 0 | 110.5 | L113 W128 I169 R172 F173 | L113-M119 HydrophobicContact CD1-CE 3.87Å; M119-W128 HydrophobicContact CB-CH2 4.26Å; M119-I169 HydrophobicContact CE-CG2 4.07Å; M119-R172 HydrophobicContact CE-CB 4.23Å; M119-F173 HydrophobicContact CE-CE1 4.35Å; M119-F173 HydrophobicContact SD-CE1 4.05Å |
| 120 | P | 86.3 | Confident | 82.5 | Confident | 26 Ų | 26 | 84.8 Ų | 84.8 | 17% | 0.169 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 160.6 | 174.7 | -20.2 | 31.5 | 0 | 0 | 0 | 112.4 | D124 W128 F131 | P120-D124 HydrophobicContact CB-CB 4.42Å; P120-W128 HydrophobicContact CB-CD2 3.97Å; P120-W128 HydrophobicContact CB-CG 4.1Å; P120-W128 HydrophobicContact CB-CZ2 4.44Å; P120-W128 HydrophobicContact CG-CD2 3.86Å; P120-W128 HydrophobicContact CG-CE3 4.12Å; P120-W128 HydrophobicContact CG-CG 4.21Å; P120-W128 VanDerWaalsContact O-CZ2 3.26Å; P120-W128 WeakPolarHBondContact O-CZ2 3.34Å; P120-F131 HydrophobicContact CG-CB 3.93Å; P120-F131 HydrophobicContact CG-CD2 4.41Å; P120-F131 HydrophobicContact CG-CG 4.3Å |
| 121 | K | 85.9 | Confident | 82.7 | Confident | 166 Ų | 166 | 79 Ų | 79 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 154 | 173.1 | -66.1 | 179.8 | -178.8 | 176.1 | 0 | 109.8 | T123 D124 W128 | K121-T123 PolarHBondContact O-N 3.17Å; K121-T123 VanDerWaalsContact O-N 3.09Å; K121-D124 PolarHBondContact O-N 3.47Å; K121-W128 PolarHBondContact O-NE1 3.45Å |
| 122 | L | 81.3 | Confident | 83 | Confident | 102 Ų | 102 | 74.8 Ų | 74.8 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.8 | 178.9 | -65.6 | 173.6 | 0 | 0 | 0 | 113.8 | T177 M180 | L122-T177 HydrophobicContact CD2-CG2 4Å; L122-T177 WeakPolarHBondContact CD2-OG1 3.47Å; L122-M180 HydrophobicContact CB-CE 4.24Å; L122-M180 HydrophobicContact CD2-CE 3.45Å; L122-M180 VanDerWaalsContact CD2-CE 3.45Å; L122-M180 HydrophobicContact CG-CE 4.46Å |
| 123 | T | 84.7 | Confident | 83.3 | Confident | 126 Ų | 126 | 69.2 Ų | 69.2 | 77% | 0.773 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7.3 | 179.5 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | K121 E125 | K121-T123 PolarHBondContact O-N 3.17Å; K121-T123 VanDerWaalsContact O-N 3.09Å; T123-E125 PolarHBondContact O-N 2.87Å |
| 124 | D | 88 | Confident | 83.5 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | trans | -99.4 | 77 | -174.4 | -174.4 | 11.4 | 0 | 0 | 0 | 110.5 | P120 K121 E126 G127 W128 | P120-D124 HydrophobicContact CB-CB 4.42Å; K121-D124 PolarHBondContact O-N 3.47Å; D124-E126 PolarHBondContact O-N 3.29Å; D124-G127 PolarHBondContact O-N 3.47Å; D124-G127 PolarHBondContact OD1-N 2.93Å; D124-G127 WeakPolarHBondContact OD2-CA 3.42Å; D124-W128 PolarHBondContact O-N 3.37Å; D124-W128 VanDerWaalsContact O-N 3.08Å | ||
| 125 | E | 88.3 | Confident | 83.3 | Confident | 111 Ų | 111 | 66.8 Ų | 66.8 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.2 | -40.3 | -178.3 | -61.4 | -174.8 | 178.5 | 0 | 0 | 112.1 | T123 W128 K129 I184 | T123-E125 PolarHBondContact O-N 2.87Å; E125-W128 PolarHBondContact O-N 2.66Å; E125-K129 WeakPolarHBondContact O-CG 3.5Å; E125-K129 PolarHBondContact O-N 3.47Å; E125-I184 HydrophobicContact CB-CD1 3.91Å; E125-I184 HydrophobicContact CB-CG1 4.32Å; E125-I184 HydrophobicContact CG-CD1 3.86Å; E125-I184 HydrophobicContact CG-CG1 4.18Å |
| 126 | E | 86.3 | Confident | 83 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 28% | 0.28 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.7 | -34 | -179.2 | -62 | -54.2 | 146.4 | 0 | 0 | 112.2 | D124 W128 K129 R130 Y138 | D124-E126 PolarHBondContact O-N 3.29Å; E126-W128 VanDerWaalsContact C-N 3.32Å; E126-K129 IonicContact OE1-NZ 3.85Å; E126-K129 PolarHBondContact OE1-NZ 2.95Å; E126-K129 WeakPolarHBondContact OE2-CD 3.5Å; E126-K129 IonicContact OE2-NZ 2.78Å; E126-R130 WeakPolarHBondContact O-CG 3.31Å; E126-R130 PolarHBondContact O-N 3.19Å; E126-R130 VanDerWaalsContact O-N 3.12Å; E126-R130 PolarHBondContact O-NH1 3.23Å; E126-Y138 VanDerWaalsContact OE2-CE2 3.23Å; E126-Y138 WeakPolarHBondContact OE2-CE2 3.32Å; E126-Y138 PolarHBondContact OE2-OH 3.48Å |
| 127 | G | 87.7 | Confident | 82.3 | Confident | 11 Ų | 11 | 65 Ų | 65 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D124 R130 F131 | D124-G127 PolarHBondContact O-N 3.47Å; D124-G127 PolarHBondContact OD1-N 2.93Å; D124-G127 WeakPolarHBondContact OD2-CA 3.42Å; G127-R130 PolarHBondContact O-N 3.48Å; G127-F131 VanDerWaalsContact O-CB 3.25Å; G127-F131 WeakPolarHBondContact O-CB 3.34Å; G127-F131 PolarHBondContact O-N 3.46Å |
| 128 | W | 89.7 | Confident | 81.3 | Confident | 5 Ų | 5 | 66 Ų | 66 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 178 | -77.4 | 114.4 | 0 | 0 | 0 | 113.6 | M119 P120 K121 D124 E125 E126 R130 F131 C132 F173 T177 L181 I184 | M119-W128 HydrophobicContact CB-CH2 4.26Å; P120-W128 HydrophobicContact CB-CD2 3.97Å; P120-W128 HydrophobicContact CB-CG 4.1Å; P120-W128 HydrophobicContact CB-CZ2 4.44Å; P120-W128 HydrophobicContact CG-CD2 3.86Å; P120-W128 HydrophobicContact CG-CE3 4.12Å; P120-W128 HydrophobicContact CG-CG 4.21Å; P120-W128 VanDerWaalsContact O-CZ2 3.26Å; P120-W128 WeakPolarHBondContact O-CZ2 3.34Å; K121-W128 PolarHBondContact O-NE1 3.45Å; D124-W128 PolarHBondContact O-N 3.37Å; D124-W128 VanDerWaalsContact O-N 3.08Å; E125-W128 PolarHBondContact O-N 2.66Å; E126-W128 VanDerWaalsContact C-N 3.32Å; W128-R130 PolarHBondContact O-N 3.35Å; W128-F131 HydrophobicContact CE3-CB 4.44Å; W128-F131 HydrophobicContact CE3-CD1 4.02Å; W128-F131 HydrophobicContact CE3-CG 4.39Å; W128-F131 AromaticContact CZ3-CD1 3.97Å; W128-F131 HydrophobicContact CZ3-CD1 3.97Å; W128-F131 HydrophobicContact CZ3-CE1 4.21Å; W128-F131 PolarHBondContact O-N 2.94Å; W128-C132 WeakPolarHBondContact O-CB 3.31Å; W128-C132 PolarHBondContact O-N 3.25Å; W128-C132 PolarHBondContact O-SG 2.85Å; W128-C132 VanDerWaalsContact O-SG 3.36Å; W128-F173 AromaticContact CH2-CE1 3.76Å; W128-F173 HydrophobicContact CH2-CE1 3.76Å; W128-F173 AromaticContact CH2-CZ 3.99Å; W128-F173 HydrophobicContact CH2-CZ 3.99Å; W128-F173 HydrophobicContact CZ3-CE1 4.11Å; W128-F173 AromaticContact CZ3-CZ 3.84Å; W128-F173 HydrophobicContact CZ3-CZ 3.84Å; W128-T177 HydrophobicContact CH2-CG2 4.49Å; W128-T177 HydrophobicContact CZ2-CG2 4.38Å; W128-L181 HydrophobicContact CB-CD2 3.65Å; W128-L181 HydrophobicContact CD2-CD1 4.47Å; W128-L181 HydrophobicContact CD2-CD2 3.26Å; W128-L181 HydrophobicContact CD2-CG 4.4Å; W128-L181 HydrophobicContact CE3-CD1 3.95Å; W128-L181 HydrophobicContact CE3-CD2 3.41Å; W128-L181 VanDerWaalsContact CE3-CD2 3.41Å; W128-L181 HydrophobicContact CE3-CG 4.32Å; W128-L181 HydrophobicContact CG-CD2 3.36Å; W128-L181 HydrophobicContact CH2-CD1 4.23Å; W128-L181 HydrophobicContact CZ3-CD1 3.81Å; W128-L181 HydrophobicContact CZ3-CD2 4.1Å; W128-I184 HydrophobicContact CB-CD1 4.24Å |
| 129 | K | 88.4 | Confident | 80.4 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 173.7 | -68.8 | 170.5 | -170.1 | 169.3 | 0 | 111.2 | E125 E126 L133 Y138 I184 | E125-K129 WeakPolarHBondContact O-CG 3.5Å; E125-K129 PolarHBondContact O-N 3.47Å; E126-K129 IonicContact OE1-NZ 3.85Å; E126-K129 PolarHBondContact OE1-NZ 2.95Å; E126-K129 WeakPolarHBondContact OE2-CD 3.5Å; E126-K129 IonicContact OE2-NZ 2.78Å; K129-L133 WeakPolarHBondContact O-CB 3.36Å; K129-L133 PolarHBondContact O-N 2.59Å; K129-Y138 HydrophobicContact CB-CD2 3.77Å; K129-Y138 HydrophobicContact CB-CE2 3.94Å; K129-Y138 HydrophobicContact CD-CD2 4.39Å; K129-Y138 HydrophobicContact CD-CE2 3.86Å; K129-I184 HydrophobicContact CD-CG2 4.26Å; K129-I184 HydrophobicContact CG-CG2 3.56Å |
| 130 | R | 86.9 | Confident | 78.7 | Confident | 103 Ų | 103 | 60.6 Ų | 60.6 | 39% | 0.389 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 176.1 | -68 | -177 | -163.7 | 91.9 | -2 | 112.5 | E126 G127 W128 G134 Y138 | E126-R130 WeakPolarHBondContact O-CG 3.31Å; E126-R130 PolarHBondContact O-N 3.19Å; E126-R130 VanDerWaalsContact O-N 3.12Å; E126-R130 PolarHBondContact O-NH1 3.23Å; G127-R130 PolarHBondContact O-N 3.48Å; W128-R130 PolarHBondContact O-N 3.35Å; R130-G134 WeakPolarHBondContact O-CA 3.35Å; R130-G134 PolarHBondContact O-N 2.97Å; R130-Y138 HydrophobicContact CG-CD1 3.87Å; R130-Y138 HydrophobicContact CG-CE1 4.36Å; R130-Y138 HydrophobicContact CG-CG 4.15Å |
| 131 | F | 88.4 | Confident | 76.7 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 6% | 0.057 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 178.1 | -178.7 | -90.6 | 0 | 0 | 0 | 111.6 | V117 P120 G127 W128 F163 I169 W201 | V117-F131 HydrophobicContact CG1-CE2 4.14Å; V117-F131 HydrophobicContact CG1-CZ 4.08Å; P120-F131 HydrophobicContact CG-CB 3.93Å; P120-F131 HydrophobicContact CG-CD2 4.41Å; P120-F131 HydrophobicContact CG-CG 4.3Å; G127-F131 VanDerWaalsContact O-CB 3.25Å; G127-F131 WeakPolarHBondContact O-CB 3.34Å; G127-F131 PolarHBondContact O-N 3.46Å; W128-F131 HydrophobicContact CE3-CB 4.44Å; W128-F131 HydrophobicContact CE3-CD1 4.02Å; W128-F131 HydrophobicContact CE3-CG 4.39Å; W128-F131 AromaticContact CZ3-CD1 3.97Å; W128-F131 HydrophobicContact CZ3-CD1 3.97Å; W128-F131 HydrophobicContact CZ3-CE1 4.21Å; W128-F131 PolarHBondContact O-N 2.94Å; F131-F163 AromaticContact CD2-CD2 3.57Å; F131-F163 HydrophobicContact CD2-CD2 3.57Å; F131-F163 HydrophobicContact CD2-CE2 4.04Å; F131-F163 HydrophobicContact CD2-CG 4.42Å; F131-F163 HydrophobicContact CE1-CB 4.08Å; F131-F163 HydrophobicContact CE2-CB 4.32Å; F131-F163 AromaticContact CE2-CD2 3.42Å; F131-F163 HydrophobicContact CE2-CD2 3.42Å; F131-F163 VanDerWaalsContact CE2-CD2 3.42Å; F131-F163 AromaticContact CE2-CE2 3.9Å; F131-F163 HydrophobicContact CE2-CE2 3.9Å; F131-F163 AromaticContact CE2-CG 3.94Å; F131-F163 HydrophobicContact CE2-CG 3.94Å; F131-F163 HydrophobicContact CG-CD2 4.21Å; F131-F163 HydrophobicContact CZ-CB 3.97Å; F131-F163 AromaticContact CZ-CD2 3.96Å; F131-F163 HydrophobicContact CZ-CD2 3.96Å; F131-F163 HydrophobicContact CZ-CG 4.03Å; F131-F163 PolarHBondContact O-N 3.16Å; F131-I169 HydrophobicContact CE1-CG2 4.19Å; F131-I169 HydrophobicContact CZ-CD1 4.23Å; F131-I169 HydrophobicContact CZ-CG2 4.28Å; F131-W201 HydrophobicContact CD1-CH2 4.45Å; F131-W201 HydrophobicContact CD1-CZ2 4.32Å; F131-W201 AromaticContact CE1-CH2 3.96Å; F131-W201 HydrophobicContact CE1-CH2 3.96Å; F131-W201 HydrophobicContact CE1-CZ2 4.05Å |
| 132 | C | 88.2 | Confident | 74.6 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -78.2 | -42.9 | -176.9 | -65 | 0 | 0 | 0 | 0 | 113 | W128 L185 W201 | W128-C132 WeakPolarHBondContact O-CB 3.31Å; W128-C132 PolarHBondContact O-N 3.25Å; W128-C132 PolarHBondContact O-SG 2.85Å; W128-C132 VanDerWaalsContact O-SG 3.36Å; C132-L185 HydrophobicContact CB-CD2 4.14Å; C132-W201 HydrophobicContact CB-CD2 3.99Å; C132-W201 HydrophobicContact CB-CG 4Å; C132-W201 HydrophobicContact CB-CZ2 4.35Å; C132-W201 PolarHBondContact O-NE1 2.99Å |
| 133 | L | 84.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -104.7 | -18.3 | -168.9 | -57 | 175.2 | 0 | 0 | 0 | 113.5 | K129 T137 L185 W188 Q197 L198 | K129-L133 WeakPolarHBondContact O-CB 3.36Å; K129-L133 PolarHBondContact O-N 2.59Å; L133-T137 WeakPolarHBondContact O-CB 3.36Å; L133-T137 PolarHBondContact O-OG1 3.35Å; L133-L185 HydrophobicContact CD1-CD2 4.34Å; L133-L185 HydrophobicContact CG-CD2 4.4Å; L133-W188 HydrophobicContact CD1-CD2 3.49Å; L133-W188 VanDerWaalsContact CD1-CD2 3.49Å; L133-W188 HydrophobicContact CD1-CE3 3.63Å; L133-W188 HydrophobicContact CD1-CG 4.15Å; L133-W188 HydrophobicContact CD1-CH2 3.89Å; L133-W188 HydrophobicContact CD1-CZ2 3.74Å; L133-W188 HydrophobicContact CD1-CZ3 3.84Å; L133-Q197 HydrophobicContact CD2-CB 4.45Å; L133-L198 HydrophobicContact CD2-CB 3.84Å; L133-L198 HydrophobicContact CD2-CD1 4.28Å |
| 134 | G | 82 | Confident | 70.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | 78.8 | 162.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | R130 Y138 G162 | R130-G134 WeakPolarHBondContact O-CA 3.35Å; R130-G134 PolarHBondContact O-N 2.97Å; G134-Y138 WeakPolarHBondContact O-CB 3.37Å; G134-Y138 PolarHBondContact O-N 3.34Å; G134-G162 VanDerWaalsContact CA-CA 3.46Å | ||
| 135 | E | 68.9 | Low | 68 | Low | 100 Ų | 100 | 69.2 Ų | 69.2 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.3 | -32.7 | -171.9 | -163.2 | 156.1 | -150.7 | 0 | 0 | 113.6 | L139 K159 V160 | E135-L139 HydrophobicContact CG-CD1 3.69Å; E135-L139 WeakPolarHBondContact O-CB 3.47Å; E135-L139 PolarHBondContact O-N 3.02Å; E135-L139 VanDerWaalsContact O-N 3.16Å; E135-K159 PolarHBondContact N-O 3.08Å; E135-K159 VanDerWaalsContact N-O 3.16Å; E135-V160 PolarHBondContact N-O 2.93Å |
| 136 | K | 62.3 | Low | 65.7 | Low | 152 Ų | 152 | 71.7 Ų | 71.7 | 66% | 0.661 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.3 | -40.4 | 178.2 | -75.7 | -176.9 | 173.5 | 168.4 | 0 | 113.1 | V160 | K136-V160 HydrophobicContact CD-CG1 3.45Å; K136-V160 VanDerWaalsContact CD-CG1 3.45Å; K136-V160 HydrophobicContact CG-CG1 3.77Å; K136-V160 PolarHBondContact N-O 2.95Å |
| 137 | T | 60.1 | Low | 63.1 | Low | 44 Ų | 44 | 74.8 Ų | 74.8 | 27% | 0.27 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -86.3 | -31.9 | -174.9 | -0.5 | 0 | 0 | 0 | 0 | 111.1 | L133 V195 | L133-T137 WeakPolarHBondContact O-CB 3.36Å; L133-T137 PolarHBondContact O-OG1 3.35Å; T137-V195 HydrophobicContact CG2-CG1 3.89Å; T137-V195 HydrophobicContact CG2-CG2 4.24Å |
| 138 | Y | 57 | Low | 60.9 | Low | 43 Ų | 43 | 83.8 Ų | 83.8 | 17% | 0.169 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 173.6 | 174.9 | -105.1 | 0 | 0 | 0 | 113.4 | E126 K129 R130 G134 W188 | E126-Y138 VanDerWaalsContact OE2-CE2 3.23Å; E126-Y138 WeakPolarHBondContact OE2-CE2 3.32Å; E126-Y138 PolarHBondContact OE2-OH 3.48Å; K129-Y138 HydrophobicContact CB-CD2 3.77Å; K129-Y138 HydrophobicContact CB-CE2 3.94Å; K129-Y138 HydrophobicContact CD-CD2 4.39Å; K129-Y138 HydrophobicContact CD-CE2 3.86Å; R130-Y138 HydrophobicContact CG-CD1 3.87Å; R130-Y138 HydrophobicContact CG-CE1 4.36Å; R130-Y138 HydrophobicContact CG-CG 4.15Å; G134-Y138 WeakPolarHBondContact O-CB 3.37Å; G134-Y138 PolarHBondContact O-N 3.34Å; Y138-W188 AromaticContact CD2-NE1 3.9Å |
| 139 | L | 60.2 | Low | 58.3 | Low | 92 Ų | 92 | 87.1 Ų | 87.1 | 48% | 0.482 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -79.6 | -19 | -176 | -76.7 | 163 | 0 | 0 | 0 | 114.4 | E135 | E135-L139 HydrophobicContact CG-CD1 3.69Å; E135-L139 WeakPolarHBondContact O-CB 3.47Å; E135-L139 PolarHBondContact O-N 3.02Å; E135-L139 VanDerWaalsContact O-N 3.16Å |
| 140 | G | 46.9 | Very low | 55.9 | Low | 25 Ų | 25 | 93.2 Ų | 93.2 | 26% | 0.258 | 51% | 0.508 | S | S | . | . | trans | 63.6 | 164.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S142 | G140-S142 PolarHBondContact O-N 3.31Š| ||
| 141 | S | 45.8 | Very low | 53.5 | Low | 120 Ų | 120 | 97 Ų | 97 | 84% | 0.839 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -65.9 | 27.1 | -172.3 | -162.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 142 | S | 40.9 | Very low | 51.3 | Low | 105 Ų | 105 | 105.8 Ų | 105.8 | 73% | 0.734 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -100.6 | 7.4 | -171.8 | -50.1 | 0 | 0 | 0 | 0 | 114.7 | G140 | G140-S142 PolarHBondContact O-N 3.31Š|
| 143 | S | 42.5 | Very low | 49.2 | Very low | 100 Ų | 100 | 110.3 Ų | 110.3 | 70% | 0.699 | 60% | 0.601 | S | S | * | * | trans | -145.9 | 49.4 | 176.6 | -70.5 | 0 | 0 | 0 | 0 | 113.2 | R145 | S143-R145 PolarHBondContact O-N 3.43Å; S143-R145 VanDerWaalsContact O-N 3.13Å | ||
| 144 | S | 35.8 | Very low | 47.3 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 77% | 0.769 | 64% | 0.642 | S | S | * | * | trans | -81.5 | 71.2 | 155.6 | 64.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 145 | R | 37.7 | Very low | 45.5 | Very low | 234 Ų | 234 | 122.2 Ų | 122.2 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | trans | -130.1 | 63.6 | 152.4 | -109.1 | -168.9 | -84.4 | -165.6 | -4.6 | 107.5 | S143 T147 | S143-R145 PolarHBondContact O-N 3.43Å; S143-R145 VanDerWaalsContact O-N 3.13Å; R145-T147 VanDerWaalsContact C-N 3.35Å; R145-T147 PolarHBondContact O-N 3.06Å | ||
| 146 | L | 39.7 | Very low | 44.8 | Very low | 164 Ų | 164 | 119.6 Ų | 119.6 | 86% | 0.859 | 67% | 0.668 | S | S | * | * | trans | -71.8 | 104.1 | 152.2 | -66.9 | 173.6 | 0 | 0 | 0 | 105 | E148 | L146-E148 PolarHBondContact O-N 3.08Š| ||
| 147 | T | 32.2 | Very low | 44.5 | Very low | 124 Ų | 124 | 121 Ų | 121 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | trans | -52 | 118.8 | 157.8 | 35.8 | 0 | 0 | 0 | 0 | 107.5 | R145 A149 | R145-T147 VanDerWaalsContact C-N 3.35Å; R145-T147 PolarHBondContact O-N 3.06Å; T147-A149 VanDerWaalsContact C-N 3.31Å; T147-A149 PolarHBondContact O-N 3.08Å | ||
| 148 | E | 40.3 | Very low | 44.2 | Very low | 201 Ų | 201 | 120 Ų | 120 | 94% | 0.939 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -57.2 | 97.6 | 160.8 | -69.1 | -179 | 162.8 | 0 | 0 | 108 | L146 | L146-E148 PolarHBondContact O-N 3.08Š|
| 149 | A | 36.2 | Very low | 44.3 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | trans | -168.9 | 107.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | T147 | T147-A149 VanDerWaalsContact C-N 3.31Å; T147-A149 PolarHBondContact O-N 3.08Å | ||
| 150 | D | 36.9 | Very low | 44.4 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | trans | 73.5 | 125.8 | 144.7 | -63.7 | -25 | 0 | 0 | 0 | 121.1 | ||||
| 151 | Q | 35.9 | Very low | 45.4 | Very low | 182 Ų | 182 | 122.4 Ų | 122.4 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | trans | 94.9 | 106.2 | 157.5 | -60.8 | 170.2 | 29.6 | 0 | 0 | 116.6 | P153 | Q151-P153 WeakPolarHBondContact O-CD 3.45Š| ||
| 152 | E | 43.7 | Very low | 47 | Very low | 197 Ų | 197 | 117.1 Ų | 117.1 | 92% | 0.921 | 64% | 0.636 | S | S | * | * | trans | -58.2 | 130.4 | 155.4 | -64.5 | -159.8 | 162.7 | 0 | 0 | 110.3 | ||||
| 153 | P | 43.7 | Very low | 49.1 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | -116.2 | 150.7 | 126.3 | 35 | -29 | 0 | 0 | 0 | 108 | Q151 L155 | Q151-P153 WeakPolarHBondContact O-CD 3.45Å; P153-L155 PolarHBondContact O-N 3.48Å | |||
| 154 | A | 44.3 | Very low | 51.4 | Low | 103 Ų | 103 | 111.9 Ų | 111.9 | 85% | 0.851 | 60% | 0.595 | S | S | * | * | trans | -42.2 | 104.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | D156 | A154-D156 PolarHBondContact O-N 3.33Š| ||
| 155 | L | 44.5 | Very low | 54 | Low | 146 Ų | 146 | 108 Ų | 108 | 76% | 0.764 | 57% | 0.567 | S | S | * | * | trans | -65.2 | 109.4 | -177.7 | -71.7 | 167.2 | 0 | 0 | 0 | 107.4 | P153 Y157 | P153-L155 PolarHBondContact O-N 3.48Å; L155-Y157 VanDerWaalsContact C-N 3.26Å; L155-Y157 PolarHBondContact O-N 3.37Å | ||
| 156 | D | 54.8 | Low | 56.6 | Low | 46 Ų | 46 | 101 Ų | 101 | 25% | 0.246 | 55% | 0.546 | C | S | . | . | trans | -64.4 | 89.3 | 174.3 | -173.1 | 0.4 | 0 | 0 | 0 | 108.4 | A154 S158 K159 | A154-D156 PolarHBondContact O-N 3.33Å; D156-S158 VanDerWaalsContact CG-OG 3.28Å; D156-S158 PolarHBondContact O-N 3.03Å; D156-S158 WeakPolarHBondContact OD1-CB 3.3Å; D156-S158 PolarHBondContact OD1-OG 2.92Å; D156-K159 HydrophobicContact CB-CD 4.1Å; D156-K159 HydrophobicContact CB-CG 4.28Å; D156-K159 PolarHBondContact O-N 3.07Å; D156-K159 WeakPolarHBondContact OD2-CD 3.4Å; D156-K159 WeakPolarHBondContact OD2-CE 3.36Å; D156-K159 IonicContact OD2-NZ 3.57Å; D156-K159 PolarHBondContact OD2-NZ 3.22Å | ||
| 157 | Y | 54.6 | Low | 58.9 | Low | 180 Ų | 180 | 96.4 Ų | 96.4 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -54.3 | -25 | -173.2 | -158 | -91.3 | 0 | 0 | 0 | 111.9 | L155 V160 V161 | L155-Y157 VanDerWaalsContact C-N 3.26Å; L155-Y157 PolarHBondContact O-N 3.37Å; Y157-V160 PolarHBondContact O-N 3.05Å; Y157-V161 HydrophobicContact CD1-CG2 4Å; Y157-V161 HydrophobicContact CE1-CG2 3.74Å; Y157-V161 PolarHBondContact O-N 3.44Å |
| 158 | S | 54.4 | Low | 61.6 | Low | 25 Ų | 25 | 91.5 Ų | 91.5 | 18% | 0.175 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 174.9 | 76.8 | 0 | 0 | 0 | 0 | 113.3 | D156 G162 F163 | D156-S158 VanDerWaalsContact CG-OG 3.28Å; D156-S158 PolarHBondContact O-N 3.03Å; D156-S158 WeakPolarHBondContact OD1-CB 3.3Å; D156-S158 PolarHBondContact OD1-OG 2.92Å; S158-G162 CarbonylContact O-C 3.36Å; S158-G162 WeakPolarHBondContact O-CA 3.28Å; S158-G162 PolarHBondContact O-N 3.21Å; S158-F163 VanDerWaalsContact OG-CZ 3.27Å; S158-F163 WeakPolarHBondContact OG-CZ 3.33Å |
| 159 | K | 59.3 | Low | 63.9 | Low | 131 Ų | 131 | 82 Ų | 82 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -74.1 | -31.4 | 178.1 | -66.9 | 179.1 | 179.8 | 160.4 | 0 | 112.2 | E135 D156 | E135-K159 PolarHBondContact N-O 3.08Å; E135-K159 VanDerWaalsContact N-O 3.16Å; D156-K159 HydrophobicContact CB-CD 4.1Å; D156-K159 HydrophobicContact CB-CG 4.28Å; D156-K159 PolarHBondContact O-N 3.07Å; D156-K159 WeakPolarHBondContact OD2-CD 3.4Å; D156-K159 WeakPolarHBondContact OD2-CE 3.36Å; D156-K159 IonicContact OD2-NZ 3.57Å; D156-K159 PolarHBondContact OD2-NZ 3.22Å |
| 160 | V | 61.4 | Low | 66.5 | Low | 32 Ų | 32 | 78.5 Ų | 78.5 | 19% | 0.194 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -76.5 | -37.8 | -177.1 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | E135 K136 Y157 | E135-V160 PolarHBondContact N-O 2.93Å; K136-V160 HydrophobicContact CD-CG1 3.45Å; K136-V160 VanDerWaalsContact CD-CG1 3.45Å; K136-V160 HydrophobicContact CG-CG1 3.77Å; K136-V160 PolarHBondContact N-O 2.95Å; Y157-V160 PolarHBondContact O-N 3.05Å |
| 161 | V | 68 | Low | 69 | Low | 46 Ų | 46 | 71.5 Ų | 71.5 | 28% | 0.279 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -107.8 | -15 | -174.3 | -175.6 | 0 | 0 | 0 | 0 | 113 | Y157 | Y157-V161 HydrophobicContact CD1-CG2 4Å; Y157-V161 HydrophobicContact CE1-CG2 3.74Å; Y157-V161 PolarHBondContact O-N 3.44Å |
| 162 | G | 79.9 | Confident | 71.5 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | trans | 87.2 | 157.4 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | G134 S158 | G134-G162 VanDerWaalsContact CA-CA 3.46Å; S158-G162 CarbonylContact O-C 3.36Å; S158-G162 WeakPolarHBondContact O-CA 3.28Å; S158-G162 PolarHBondContact O-N 3.21Å | ||
| 163 | F | 85.6 | Confident | 73.8 | Confident | 28 Ų | 28 | 57 Ų | 57 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | trans | -79.2 | 135.9 | 175.7 | -71.2 | -83.5 | 0 | 0 | 0 | 110.3 | N116 V117 F131 S158 I169 W201 | N116-F163 WeakPolarHBondContact O-CZ 3.4Å; V117-F163 HydrophobicContact CG2-CD1 4.19Å; V117-F163 HydrophobicContact CG2-CE1 3.76Å; V117-F163 HydrophobicContact CG2-CZ 4.42Å; F131-F163 AromaticContact CD2-CD2 3.57Å; F131-F163 HydrophobicContact CD2-CD2 3.57Å; F131-F163 HydrophobicContact CD2-CE2 4.04Å; F131-F163 HydrophobicContact CD2-CG 4.42Å; F131-F163 HydrophobicContact CE1-CB 4.08Å; F131-F163 HydrophobicContact CE2-CB 4.32Å; F131-F163 AromaticContact CE2-CD2 3.42Å; F131-F163 HydrophobicContact CE2-CD2 3.42Å; F131-F163 VanDerWaalsContact CE2-CD2 3.42Å; F131-F163 AromaticContact CE2-CE2 3.9Å; F131-F163 HydrophobicContact CE2-CE2 3.9Å; F131-F163 AromaticContact CE2-CG 3.94Å; F131-F163 HydrophobicContact CE2-CG 3.94Å; F131-F163 HydrophobicContact CG-CD2 4.21Å; F131-F163 HydrophobicContact CZ-CB 3.97Å; F131-F163 AromaticContact CZ-CD2 3.96Å; F131-F163 HydrophobicContact CZ-CD2 3.96Å; F131-F163 HydrophobicContact CZ-CG 4.03Å; F131-F163 PolarHBondContact O-N 3.16Å; S158-F163 VanDerWaalsContact OG-CZ 3.27Å; S158-F163 WeakPolarHBondContact OG-CZ 3.33Å; F163-I169 HydrophobicContact CB-CD1 4.37Å; F163-W201 VanDerWaalsContact O-CE2 3.25Å; F163-W201 WeakPolarHBondContact O-CZ2 3.33Å; F163-W201 PolarHBondContact O-NE1 3.44Å | ||
| 164 | P | 89.8 | Confident | 76 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | trans | -72.7 | 156.7 | 170.3 | 27.8 | -30.3 | 0 | 0 | 0 | 111 | L166 | P164-L166 HydrophobicContact CG-CD1 4.48Å; P164-L166 HydrophobicContact CG-CD2 4.06Å; P164-L166 HydrophobicContact CG-CG 4.03Å; P164-L166 PolarHBondContact O-N 3.19Å | ||
| 165 | P | 91.8 | Very high | 78.3 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | trans | -73.6 | 72.2 | 177.2 | 31 | -35.9 | 0 | 0 | 0 | 111.5 | V170 R200 W201 A204 | P165-V170 HydrophobicContact CB-CG1 3.96Å; P165-R200 HydrophobicContact CG-CB 4.02Å; P165-W201 HydrophobicContact CB-CD2 3.79Å; P165-W201 HydrophobicContact CB-CE3 3.68Å; P165-W201 HydrophobicContact CB-CG 4.42Å; P165-W201 HydrophobicContact CB-CH2 4.09Å; P165-W201 HydrophobicContact CB-CZ2 4.22Å; P165-W201 HydrophobicContact CB-CZ3 3.81Å; P165-W201 HydrophobicContact CG-CD2 4.28Å; P165-W201 HydrophobicContact CG-CG 4.44Å; P165-A204 HydrophobicContact CB-CB 3.49Å; P165-A204 VanDerWaalsContact CB-CB 3.49Å; P165-A204 HydrophobicContact CG-CB 3.9Å | ||
| 166 | L | 90.9 | Very high | 80.6 | Confident | 86 Ų | 86 | 50.5 Ų | 50.5 | 45% | 0.45 | 26% | 0.264 | S | S | . | . | trans | -69.7 | 147.6 | 177.3 | -61 | 175.4 | 0 | 0 | 0 | 110.5 | P164 S168 I169 V170 | P164-L166 HydrophobicContact CG-CD1 4.48Å; P164-L166 HydrophobicContact CG-CD2 4.06Å; P164-L166 HydrophobicContact CG-CG 4.03Å; P164-L166 PolarHBondContact O-N 3.19Å; L166-S168 PolarHBondContact O-N 2.89Å; L166-I169 HydrophobicContact CB-CD1 4.18Å; L166-I169 HydrophobicContact CB-CG1 4.3Å; L166-I169 HydrophobicContact CD1-CD1 4.32Å; L166-I169 HydrophobicContact CG-CD1 4.41Å; L166-I169 WeakPolarHBondContact O-CA 3.06Å; L166-I169 WeakPolarHBondContact O-CB 3.42Å; L166-I169 PolarHBondContact O-N 3.43Å; L166-V170 PolarHBondContact O-N 3Å | ||
| 167 | L | 88.7 | Confident | 82.4 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 36% | 0.356 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.6 | -33.6 | 176 | -68.5 | 179.7 | 0 | 0 | 0 | 112.6 | I101 W108 I169 V170 S171 | I101-L167 HydrophobicContact CD1-CD2 4.41Å; I101-L167 HydrophobicContact CG1-CD2 3.87Å; W108-L167 HydrophobicContact CD2-CB 4.05Å; W108-L167 HydrophobicContact CG-CB 3.94Å; W108-L167 HydrophobicContact CZ2-CD1 4.4Å; L167-I169 PolarHBondContact O-N 3.37Å; L167-V170 HydrophobicContact CD2-CG2 4.24Å; L167-S171 WeakPolarHBondContact O-CB 3.4Å; L167-S171 PolarHBondContact O-N 2.99Å; L167-S171 VanDerWaalsContact O-N 3.08Å; L167-S171 PolarHBondContact O-OG 3.35Å |
| 168 | S | 88.4 | Confident | 84.3 | Confident | 21 Ų | 21 | 40.4 Ų | 40.4 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -34.1 | 172.4 | 54.3 | 0 | 0 | 0 | 0 | 112 | L166 R172 | L166-S168 PolarHBondContact O-N 2.89Å; S168-R172 WeakPolarHBondContact O-CD 3.47Å; S168-R172 WeakPolarHBondContact O-CG 3.47Å; S168-R172 PolarHBondContact O-NH1 2.99Å |
| 169 | I | 89.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -82.4 | -59.2 | 179.3 | -63.4 | 169.7 | 0 | 0 | 0 | 109.9 | L113 V117 M119 F131 F163 L166 L167 S171 R172 F173 W201 | L113-I169 HydrophobicContact CD2-CG1 4.34Å; V117-I169 HydrophobicContact CG1-CD1 4.19Å; V117-I169 HydrophobicContact CG1-CG1 4.23Å; M119-I169 HydrophobicContact CE-CG2 4.07Å; F131-I169 HydrophobicContact CE1-CG2 4.19Å; F131-I169 HydrophobicContact CZ-CD1 4.23Å; F131-I169 HydrophobicContact CZ-CG2 4.28Å; F163-I169 HydrophobicContact CB-CD1 4.37Å; L166-I169 HydrophobicContact CB-CD1 4.18Å; L166-I169 HydrophobicContact CB-CG1 4.3Å; L166-I169 HydrophobicContact CD1-CD1 4.32Å; L166-I169 HydrophobicContact CG-CD1 4.41Å; L166-I169 WeakPolarHBondContact O-CA 3.06Å; L166-I169 WeakPolarHBondContact O-CB 3.42Å; L166-I169 PolarHBondContact O-N 3.43Å; L167-I169 PolarHBondContact O-N 3.37Å; I169-S171 VanDerWaalsContact C-N 3.28Å; I169-S171 PolarHBondContact O-N 3Å; I169-R172 WeakPolarHBondContact O-CB 3.34Å; I169-R172 PolarHBondContact O-N 3.45Å; I169-R172 VanDerWaalsContact O-N 3.09Å; I169-F173 HydrophobicContact CG2-CE1 4.13Å; I169-F173 HydrophobicContact CG2-CE2 4.32Å; I169-F173 HydrophobicContact CG2-CZ 3.64Å; I169-W201 HydrophobicContact CG2-CH2 4.1Å |
| 170 | V | 91.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.2 | -26.4 | -171 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | P165 L166 L167 R172 F173 W201 A204 | P165-V170 HydrophobicContact CB-CG1 3.96Å; L166-V170 PolarHBondContact O-N 3Å; L167-V170 HydrophobicContact CD2-CG2 4.24Å; V170-R172 PolarHBondContact O-N 2.95Å; V170-F173 HydrophobicContact CB-CD2 4.37Å; V170-F173 HydrophobicContact CG1-CD2 4.48Å; V170-F173 HydrophobicContact CG1-CE2 4.21Å; V170-F173 PolarHBondContact O-N 3.12Å; V170-W201 HydrophobicContact CG1-CZ3 3.97Å; V170-A204 HydrophobicContact CG1-CB 4.41Å |
| 171 | S | 89.1 | Confident | 89.3 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.9 | 177 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | R105 L167 I169 | R105-S171 PolarHBondContact NE-O 3.34Å; L167-S171 WeakPolarHBondContact O-CB 3.4Å; L167-S171 PolarHBondContact O-N 2.99Å; L167-S171 VanDerWaalsContact O-N 3.08Å; L167-S171 PolarHBondContact O-OG 3.35Å; I169-S171 VanDerWaalsContact C-N 3.28Å; I169-S171 PolarHBondContact O-N 3Å |
| 172 | R | 88.8 | Confident | 90.6 | Very high | 69 Ų | 69 | 33 Ų | 33 | 26% | 0.26 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -17 | 178.9 | -66.3 | 177 | 154.1 | 92.6 | 4.4 | 113.2 | N109 H111 L113 M119 S168 I169 V170 N174 | N109-R172 PolarHBondContact O-NH2 3.28Å; N109-R172 WeakPolarHBondContact OD1-CG 3.18Å; H111-R172 PolarHBondContact O-NH1 3.09Å; H111-R172 PolarHBondContact O-NH2 3.29Å; L113-R172 VanDerWaalsContact CG-NH1 3.34Å; M119-R172 HydrophobicContact CE-CB 4.23Å; S168-R172 WeakPolarHBondContact O-CD 3.47Å; S168-R172 WeakPolarHBondContact O-CG 3.47Å; S168-R172 PolarHBondContact O-NH1 2.99Å; I169-R172 WeakPolarHBondContact O-CB 3.34Å; I169-R172 PolarHBondContact O-N 3.45Å; I169-R172 VanDerWaalsContact O-N 3.09Å; V170-R172 PolarHBondContact O-N 2.95Å; R172-N174 PolarHBondContact O-N 3.2Å |
| 173 | F | 90.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | trans | -71.3 | 132.8 | -179.6 | -60.9 | -21.7 | 0 | 0 | 0 | 110.4 | R105 M119 W128 I169 V170 T177 V178 L181 W201 L205 | R105-F173 PolarHBondContact NH2-O 3.05Å; M119-F173 HydrophobicContact CE-CE1 4.35Å; M119-F173 HydrophobicContact SD-CE1 4.05Å; W128-F173 AromaticContact CH2-CE1 3.76Å; W128-F173 HydrophobicContact CH2-CE1 3.76Å; W128-F173 AromaticContact CH2-CZ 3.99Å; W128-F173 HydrophobicContact CH2-CZ 3.99Å; W128-F173 HydrophobicContact CZ3-CE1 4.11Å; W128-F173 AromaticContact CZ3-CZ 3.84Å; W128-F173 HydrophobicContact CZ3-CZ 3.84Å; I169-F173 HydrophobicContact CG2-CE1 4.13Å; I169-F173 HydrophobicContact CG2-CE2 4.32Å; I169-F173 HydrophobicContact CG2-CZ 3.64Å; V170-F173 HydrophobicContact CB-CD2 4.37Å; V170-F173 HydrophobicContact CG1-CD2 4.48Å; V170-F173 HydrophobicContact CG1-CE2 4.21Å; V170-F173 PolarHBondContact O-N 3.12Å; F173-T177 HydrophobicContact CB-CG2 4.26Å; F173-T177 HydrophobicContact CD1-CG2 3.88Å; F173-T177 HydrophobicContact CE1-CG2 4.38Å; F173-T177 HydrophobicContact CG-CG2 4.02Å; F173-V178 HydrophobicContact CB-CG2 3.74Å; F173-L181 HydrophobicContact CD2-CD1 4.05Å; F173-L181 HydrophobicContact CE1-CD1 4.49Å; F173-L181 HydrophobicContact CE2-CD1 3.54Å; F173-L181 HydrophobicContact CZ-CD1 3.8Å; F173-W201 HydrophobicContact CE2-CZ3 4.01Å; F173-W201 HydrophobicContact CZ-CZ3 4.47Å; F173-L205 HydrophobicContact CD2-CD2 4.32Å; F173-L205 HydrophobicContact CE2-CD2 4.43Å | ||
| 174 | N | 91 | Very high | 91.6 | Very high | 83 Ų | 83 | 35.1 Ų | 35.1 | 44% | 0.444 | 19% | 0.193 | S | C | . | . | trans | -80.2 | 166.2 | 164 | 67.1 | 13.8 | 0 | 0 | 0 | 109.5 | R172 S176 T177 V178 | R172-N174 PolarHBondContact O-N 3.2Å; N174-S176 VanDerWaalsContact C-N 3.25Å; N174-S176 PolarHBondContact O-N 2.93Å; N174-S176 PolarHBondContact OD1-N 2.99Å; N174-T177 PolarHBondContact O-N 3.46Å; N174-T177 VanDerWaalsContact O-N 3.07Å; N174-T177 VanDerWaalsContact OD1-CB 3.27Å; N174-T177 WeakPolarHBondContact OD1-CB 3.41Å; N174-T177 PolarHBondContact OD1-N 2.63Å; N174-T177 PolarHBondContact OD1-OG1 2.81Å; N174-V178 PolarHBondContact O-N 3.4Å | ||
| 175 | Q | 92.1 | Very high | 91.8 | Very high | 44 Ų | 44 | 32 Ų | 32 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -36 | -177.3 | -71.4 | -55.5 | -50.1 | 0 | 0 | 112.8 | T177 V178 L179 C208 E210 | Q175-T177 VanDerWaalsContact C-N 3.32Å; Q175-T177 PolarHBondContact O-N 3.42Å; Q175-V178 PolarHBondContact O-N 2.92Å; Q175-L179 WeakPolarHBondContact O-CG 3.12Å; Q175-L179 PolarHBondContact O-N 3.5Å; Q175-C208 PolarHBondContact NE2-O 2.88Å; Q175-E210 VanDerWaalsContact CD-CD 3.46Å; Q175-E210 HydrophobicContact CG-CB 4.21Å; Q175-E210 HydrophobicContact CG-CG 4.31Å; Q175-E210 PolarHBondContact NE2-OE1 3.36Å |
| 176 | S | 92.4 | Very high | 91.9 | Very high | 83 Ų | 83 | 30.8 Ų | 30.8 | 58% | 0.58 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -61.4 | -40 | 175.6 | -51.4 | 0 | 0 | 0 | 0 | 112.7 | N174 M180 | N174-S176 VanDerWaalsContact C-N 3.25Å; N174-S176 PolarHBondContact O-N 2.93Å; N174-S176 PolarHBondContact OD1-N 2.99Å; S176-M180 VanDerWaalsContact O-CB 3.26Å; S176-M180 WeakPolarHBondContact O-CB 3.47Å; S176-M180 PolarHBondContact O-N 2.97Å |
| 177 | T | 92.6 | Very high | 92 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.5 | -42.7 | 177.2 | -52.7 | 0 | 0 | 0 | 0 | 110.4 | L122 W128 F173 N174 Q175 L179 M180 L181 | L122-T177 HydrophobicContact CD2-CG2 4Å; L122-T177 WeakPolarHBondContact CD2-OG1 3.47Å; W128-T177 HydrophobicContact CH2-CG2 4.49Å; W128-T177 HydrophobicContact CZ2-CG2 4.38Å; F173-T177 HydrophobicContact CB-CG2 4.26Å; F173-T177 HydrophobicContact CD1-CG2 3.88Å; F173-T177 HydrophobicContact CE1-CG2 4.38Å; F173-T177 HydrophobicContact CG-CG2 4.02Å; N174-T177 PolarHBondContact O-N 3.46Å; N174-T177 VanDerWaalsContact O-N 3.07Å; N174-T177 VanDerWaalsContact OD1-CB 3.27Å; N174-T177 WeakPolarHBondContact OD1-CB 3.41Å; N174-T177 PolarHBondContact OD1-N 2.63Å; N174-T177 PolarHBondContact OD1-OG1 2.81Å; Q175-T177 VanDerWaalsContact C-N 3.32Å; Q175-T177 PolarHBondContact O-N 3.42Å; T177-L179 VanDerWaalsContact C-N 3.35Å; T177-L179 PolarHBondContact O-N 2.9Å; T177-M180 HydrophobicContact CG2-CE 4.34Å; T177-M180 PolarHBondContact O-N 3.39Å; T177-L181 HydrophobicContact CG2-CD1 3.95Å; T177-L181 HydrophobicContact CG2-CG 4.18Å; T177-L181 WeakPolarHBondContact O-CB 3.43Å; T177-L181 VanDerWaalsContact O-CG 3.25Å; T177-L181 WeakPolarHBondContact O-CG 3.38Å; T177-L181 PolarHBondContact O-N 2.68Å |
| 178 | V | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | F173 N174 Q175 L182 L205 C208 L209 | F173-V178 HydrophobicContact CB-CG2 3.74Å; N174-V178 PolarHBondContact O-N 3.4Å; Q175-V178 PolarHBondContact O-N 2.92Å; V178-L182 VanDerWaalsContact O-CB 3.27Å; V178-L182 WeakPolarHBondContact O-CB 3.39Å; V178-L182 PolarHBondContact O-N 2.97Å; V178-L205 HydrophobicContact CG1-CB 4.38Å; V178-L205 HydrophobicContact CG1-CD2 4.23Å; V178-L205 WeakPolarHBondContact CG1-O 3.13Å; V178-C208 HydrophobicContact CG1-CB 4.37Å; V178-C208 HydrophobicContact CG2-CB 4.03Å; V178-L209 HydrophobicContact CG1-CB 4.45Å |
| 179 | L | 93.8 | Very high | 92.2 | Very high | 37 Ų | 37 | 26 Ų | 26 | 19% | 0.194 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.1 | -48 | 178.9 | -67.8 | 175.2 | 0 | 0 | 0 | 111.8 | Q175 T177 L181 L182 D183 L209 L214 A217 | Q175-L179 WeakPolarHBondContact O-CG 3.12Å; Q175-L179 PolarHBondContact O-N 3.5Å; T177-L179 VanDerWaalsContact C-N 3.35Å; T177-L179 PolarHBondContact O-N 2.9Å; L179-L181 PolarHBondContact O-N 3.46Å; L179-L182 WeakPolarHBondContact O-CB 3.19Å; L179-L182 PolarHBondContact O-N 2.93Å; L179-D183 PolarHBondContact O-N 3.41Å; L179-L209 HydrophobicContact CD2-CD1 4.14Å; L179-L209 HydrophobicContact CD2-CG 4.36Å; L179-L214 HydrophobicContact CD1-CD1 4.3Å; L179-A217 HydrophobicContact CD2-CB 3.51Å |
| 180 | M | 94 | Very high | 92.2 | Very high | 41 Ų | 41 | 29.9 Ų | 29.9 | 20% | 0.202 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 178.2 | 175.8 | -84.2 | -72.5 | 0 | 0 | 112 | L122 S176 T177 L182 D183 I184 | L122-M180 HydrophobicContact CB-CE 4.24Å; L122-M180 HydrophobicContact CD2-CE 3.45Å; L122-M180 VanDerWaalsContact CD2-CE 3.45Å; L122-M180 HydrophobicContact CG-CE 4.46Å; S176-M180 VanDerWaalsContact O-CB 3.26Å; S176-M180 WeakPolarHBondContact O-CB 3.47Å; S176-M180 PolarHBondContact O-N 2.97Å; T177-M180 HydrophobicContact CG2-CE 4.34Å; T177-M180 PolarHBondContact O-N 3.39Å; M180-L182 VanDerWaalsContact C-N 3.34Å; M180-L182 PolarHBondContact O-N 3.5Å; M180-D183 PolarHBondContact O-N 3.14Å; M180-I184 HydrophobicContact CG-CD1 4.26Å; M180-I184 WeakPolarHBondContact O-CG1 3.44Å; M180-I184 PolarHBondContact O-N 2.92Å; M180-I184 HydrophobicContact SD-CD1 3.18Å; M180-I184 WeakPolarHBondContact SD-CD1 3.37Å; M180-I184 HydrophobicContact SD-CG1 4.09Å |
| 181 | L | 93.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 176.8 | -69.5 | -178.3 | 0 | 0 | 0 | 112.6 | W128 F173 T177 L179 D183 I184 L185 L205 | W128-L181 HydrophobicContact CB-CD2 3.65Å; W128-L181 HydrophobicContact CD2-CD1 4.47Å; W128-L181 HydrophobicContact CD2-CD2 3.26Å; W128-L181 HydrophobicContact CD2-CG 4.4Å; W128-L181 HydrophobicContact CE3-CD1 3.95Å; W128-L181 HydrophobicContact CE3-CD2 3.41Å; W128-L181 VanDerWaalsContact CE3-CD2 3.41Å; W128-L181 HydrophobicContact CE3-CG 4.32Å; W128-L181 HydrophobicContact CG-CD2 3.36Å; W128-L181 HydrophobicContact CH2-CD1 4.23Å; W128-L181 HydrophobicContact CZ3-CD1 3.81Å; W128-L181 HydrophobicContact CZ3-CD2 4.1Å; F173-L181 HydrophobicContact CD2-CD1 4.05Å; F173-L181 HydrophobicContact CE1-CD1 4.49Å; F173-L181 HydrophobicContact CE2-CD1 3.54Å; F173-L181 HydrophobicContact CZ-CD1 3.8Å; T177-L181 HydrophobicContact CG2-CD1 3.95Å; T177-L181 HydrophobicContact CG2-CG 4.18Å; T177-L181 WeakPolarHBondContact O-CB 3.43Å; T177-L181 VanDerWaalsContact O-CG 3.25Å; T177-L181 WeakPolarHBondContact O-CG 3.38Å; T177-L181 PolarHBondContact O-N 2.68Å; L179-L181 PolarHBondContact O-N 3.46Å; L181-D183 VanDerWaalsContact C-N 3.32Å; L181-I184 PolarHBondContact O-N 3.45Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 VanDerWaalsContact O-CG 3.26Å; L181-L185 WeakPolarHBondContact O-CG 3.38Å; L181-L185 PolarHBondContact O-N 3.4Å; L181-L205 HydrophobicContact CB-CD1 3.92Å; L181-L205 HydrophobicContact CB-CD2 4.14Å; L181-L205 HydrophobicContact CD1-CD2 4.3Å |
| 182 | L | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.7 | -169.6 | 71.7 | 0 | 0 | 0 | 109.9 | V178 L179 M180 L185 I186 L202 L205 L209 I221 | V178-L182 VanDerWaalsContact O-CB 3.27Å; V178-L182 WeakPolarHBondContact O-CB 3.39Å; V178-L182 PolarHBondContact O-N 2.97Å; L179-L182 WeakPolarHBondContact O-CB 3.19Å; L179-L182 PolarHBondContact O-N 2.93Å; M180-L182 VanDerWaalsContact C-N 3.34Å; M180-L182 PolarHBondContact O-N 3.5Å; L182-L185 PolarHBondContact O-N 3.45Å; L182-I186 HydrophobicContact CD1-CD1 4.31Å; L182-I186 HydrophobicContact CD2-CD1 4.41Å; L182-I186 HydrophobicContact CG-CD1 3.77Å; L182-I186 WeakPolarHBondContact O-CB 3.35Å; L182-I186 WeakPolarHBondContact O-CD1 3.33Å; L182-I186 WeakPolarHBondContact O-CG1 3.44Å; L182-I186 PolarHBondContact O-N 2.94Å; L182-L202 HydrophobicContact CD1-CD2 3.96Å; L182-L205 HydrophobicContact CB-CD1 4.45Å; L182-L205 HydrophobicContact CD1-CB 4.05Å; L182-L205 HydrophobicContact CD1-CD1 4.36Å; L182-L209 HydrophobicContact CD2-CD1 3.7Å; L182-I221 HydrophobicContact CD2-CG2 3.8Å |
| 183 | D | 93.8 | Very high | 91.6 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 177.7 | -70.3 | -24.5 | 0 | 0 | 0 | 112.3 | L179 M180 L181 L185 I186 S187 S220 | L179-D183 PolarHBondContact O-N 3.41Å; M180-D183 PolarHBondContact O-N 3.14Å; L181-D183 VanDerWaalsContact C-N 3.32Å; D183-L185 PolarHBondContact O-N 3.12Å; D183-I186 PolarHBondContact O-N 3.46Å; D183-S187 WeakPolarHBondContact O-CB 3.46Å; D183-S187 PolarHBondContact O-N 3.26Å; D183-S220 WeakPolarHBondContact OD1-CB 3.26Å; D183-S220 PolarHBondContact OD1-OG 3.32Å |
| 184 | I | 93.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 176.1 | -73.2 | 175 | 0 | 0 | 0 | 111.3 | E125 W128 K129 M180 L181 S187 W188 | E125-I184 HydrophobicContact CB-CD1 3.91Å; E125-I184 HydrophobicContact CB-CG1 4.32Å; E125-I184 HydrophobicContact CG-CD1 3.86Å; E125-I184 HydrophobicContact CG-CG1 4.18Å; W128-I184 HydrophobicContact CB-CD1 4.24Å; K129-I184 HydrophobicContact CD-CG2 4.26Å; K129-I184 HydrophobicContact CG-CG2 3.56Å; M180-I184 HydrophobicContact CG-CD1 4.26Å; M180-I184 WeakPolarHBondContact O-CG1 3.44Å; M180-I184 PolarHBondContact O-N 2.92Å; M180-I184 HydrophobicContact SD-CD1 3.18Å; M180-I184 WeakPolarHBondContact SD-CD1 3.37Å; M180-I184 HydrophobicContact SD-CG1 4.09Å; L181-I184 PolarHBondContact O-N 3.45Å; I184-S187 PolarHBondContact O-N 3.08Å; I184-W188 WeakPolarHBondContact O-CB 3.4Å; I184-W188 PolarHBondContact O-N 3Å |
| 185 | L | 93.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.3 | -35.6 | -177 | -69.4 | -177.4 | 0 | 0 | 0 | 111.8 | C132 L133 L181 L182 D183 W188 F189 L198 W201 L202 L205 | C132-L185 HydrophobicContact CB-CD2 4.14Å; L133-L185 HydrophobicContact CD1-CD2 4.34Å; L133-L185 HydrophobicContact CG-CD2 4.4Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 VanDerWaalsContact O-CG 3.26Å; L181-L185 WeakPolarHBondContact O-CG 3.38Å; L181-L185 PolarHBondContact O-N 3.4Å; L182-L185 PolarHBondContact O-N 3.45Å; D183-L185 PolarHBondContact O-N 3.12Å; L185-W188 PolarHBondContact O-N 3.39Å; L185-F189 VanDerWaalsContact O-CB 3.29Å; L185-F189 WeakPolarHBondContact O-CB 3.34Å; L185-F189 PolarHBondContact O-N 2.93Å; L185-L198 HydrophobicContact CB-CD1 3.87Å; L185-L198 HydrophobicContact CD1-CD1 4.4Å; L185-L198 HydrophobicContact CD2-CD1 4.11Å; L185-L198 HydrophobicContact CG-CD1 4.35Å; L185-W201 HydrophobicContact CD1-CB 3.71Å; L185-W201 HydrophobicContact CD1-CG 4.39Å; L185-L202 HydrophobicContact CB-CD2 4.03Å; L185-L205 HydrophobicContact CD1-CD1 3.7Å |
| 186 | I | 93.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -49.3 | 172.8 | -69.9 | 167.8 | 0 | 0 | 0 | 109.7 | L182 D183 W188 F189 E190 L202 S220 Q223 L224 | L182-I186 HydrophobicContact CD1-CD1 4.31Å; L182-I186 HydrophobicContact CD2-CD1 4.41Å; L182-I186 HydrophobicContact CG-CD1 3.77Å; L182-I186 WeakPolarHBondContact O-CB 3.35Å; L182-I186 WeakPolarHBondContact O-CD1 3.33Å; L182-I186 WeakPolarHBondContact O-CG1 3.44Å; L182-I186 PolarHBondContact O-N 2.94Å; D183-I186 PolarHBondContact O-N 3.46Å; I186-W188 VanDerWaalsContact C-N 3.31Å; I186-W188 PolarHBondContact O-N 3.37Å; I186-F189 WeakPolarHBondContact O-CA 3.46Å; I186-F189 WeakPolarHBondContact O-CB 3.35Å; I186-F189 PolarHBondContact O-N 3.19Å; I186-E190 WeakPolarHBondContact O-CG 3.38Å; I186-E190 PolarHBondContact O-N 3.22Å; I186-E190 VanDerWaalsContact O-N 3.07Å; I186-L202 HydrophobicContact CG1-CD2 4.27Å; I186-S220 WeakPolarHBondContact CD1-O 3.39Å; I186-Q223 HydrophobicContact CG2-CG 4.37Å; I186-L224 HydrophobicContact CD1-CB 3.88Å; I186-L224 HydrophobicContact CD1-CD2 4.49Å; I186-L224 HydrophobicContact CG1-CB 3.97Å; I186-L224 HydrophobicContact CG1-CD1 4.3Å; I186-L224 HydrophobicContact CG1-CD2 4.47Å; I186-L224 HydrophobicContact CG1-CG 4.47Å |
| 187 | S | 92.7 | Very high | 91.2 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 42% | 0.42 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.5 | -43 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | D183 I184 F189 E190 | D183-S187 WeakPolarHBondContact O-CB 3.46Å; D183-S187 PolarHBondContact O-N 3.26Å; I184-S187 PolarHBondContact O-N 3.08Å; S187-F189 VanDerWaalsContact C-N 3.31Å; S187-F189 PolarHBondContact O-N 3.43Å; S187-E190 PolarHBondContact O-N 2.58Å |
| 188 | W | 90.6 | Very high | 91.2 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 174.7 | -176 | 88 | 0 | 0 | 0 | 112.4 | L133 Y138 I184 L185 I186 E190 E191 R192 V195 L198 | L133-W188 HydrophobicContact CD1-CD2 3.49Å; L133-W188 VanDerWaalsContact CD1-CD2 3.49Å; L133-W188 HydrophobicContact CD1-CE3 3.63Å; L133-W188 HydrophobicContact CD1-CG 4.15Å; L133-W188 HydrophobicContact CD1-CH2 3.89Å; L133-W188 HydrophobicContact CD1-CZ2 3.74Å; L133-W188 HydrophobicContact CD1-CZ3 3.84Å; Y138-W188 AromaticContact CD2-NE1 3.9Å; I184-W188 WeakPolarHBondContact O-CB 3.4Å; I184-W188 PolarHBondContact O-N 3Å; L185-W188 PolarHBondContact O-N 3.39Å; I186-W188 VanDerWaalsContact C-N 3.31Å; I186-W188 PolarHBondContact O-N 3.37Å; W188-E190 VanDerWaalsContact C-N 3.29Å; W188-E190 PolarHBondContact O-N 2.97Å; W188-E191 PolarHBondContact O-N 2.9Å; W188-R192 HydrophobicContact CD2-CB 4.21Å; W188-R192 HydrophobicContact CD2-CG 4.08Å; W188-R192 HydrophobicContact CE3-CB 4.12Å; W188-R192 HydrophobicContact CH2-CB 3.8Å; W188-R192 HydrophobicContact CH2-CG 4.28Å; W188-R192 HydrophobicContact CZ2-CB 3.9Å; W188-R192 HydrophobicContact CZ2-CG 3.84Å; W188-R192 HydrophobicContact CZ3-CB 3.91Å; W188-R192 WeakPolarHBondContact O-CB 3.28Å; W188-R192 WeakPolarHBondContact O-CG 3.19Å; W188-R192 PolarHBondContact O-N 2.92Å; W188-V195 HydrophobicContact CH2-CG2 4.19Å; W188-L198 HydrophobicContact CE3-CD1 4.37Å; W188-L198 HydrophobicContact CE3-CD2 4.03Å; W188-L198 HydrophobicContact CZ3-CD2 3.85Å |
| 189 | F | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.7 | -19 | 179.8 | -178.4 | -134 | 0 | 0 | 0 | 114.1 | L185 I186 S187 E191 F194 L198 L224 R227 L231 L246 | L185-F189 VanDerWaalsContact O-CB 3.29Å; L185-F189 WeakPolarHBondContact O-CB 3.34Å; L185-F189 PolarHBondContact O-N 2.93Å; I186-F189 WeakPolarHBondContact O-CA 3.46Å; I186-F189 WeakPolarHBondContact O-CB 3.35Å; I186-F189 PolarHBondContact O-N 3.19Å; S187-F189 VanDerWaalsContact C-N 3.31Å; S187-F189 PolarHBondContact O-N 3.43Å; F189-E191 VanDerWaalsContact C-N 3.33Å; F189-F194 HydrophobicContact CD2-CD2 4.42Å; F189-F194 HydrophobicContact CE2-CB 3.74Å; F189-F194 AromaticContact CE2-CD2 3.61Å; F189-F194 HydrophobicContact CE2-CD2 3.61Å; F189-F194 HydrophobicContact CE2-CG 4.16Å; F189-F194 HydrophobicContact CZ-CB 4.32Å; F189-F194 AromaticContact CZ-CD2 3.67Å; F189-F194 HydrophobicContact CZ-CD2 3.67Å; F189-F194 HydrophobicContact CZ-CG 4.45Å; F189-L198 HydrophobicContact CB-CD2 3.69Å; F189-L198 HydrophobicContact CD2-CD2 3.47Å; F189-L198 VanDerWaalsContact CD2-CD2 3.47Å; F189-L198 HydrophobicContact CE2-CD2 4.22Å; F189-L198 HydrophobicContact CG-CD2 3.65Å; F189-L224 HydrophobicContact CD1-CD1 3.75Å; F189-L224 HydrophobicContact CE1-CD1 3.87Å; F189-R227 HydrophobicContact CD1-CB 4.11Å; F189-R227 HydrophobicContact CD1-CG 3.51Å; F189-R227 HydrophobicContact CE1-CB 3.88Å; F189-R227 HydrophobicContact CE1-CG 3.37Å; F189-R227 HydrophobicContact CE2-CG 4.48Å; F189-R227 HydrophobicContact CG-CG 4.16Å; F189-R227 HydrophobicContact CZ-CG 3.91Å; F189-R227 PolarHBondContact O-NE 3.26Å; F189-L231 HydrophobicContact CD2-CD1 4.5Å; F189-L231 HydrophobicContact CE2-CD1 3.32Å; F189-L231 HydrophobicContact CZ-CD1 3.42Å; F189-L231 VanDerWaalsContact CZ-CD1 3.42Å; F189-L231 HydrophobicContact CZ-CG 4.42Å; F189-L246 HydrophobicContact CZ-CD2 4.35Å |
| 190 | E | 88.8 | Confident | 91.2 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 38% | 0.379 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.1 | -37.9 | 175.1 | -62.6 | -162 | 127 | 0 | 0 | 112.1 | I186 S187 W188 Q223 R227 | I186-E190 WeakPolarHBondContact O-CG 3.38Å; I186-E190 PolarHBondContact O-N 3.22Å; I186-E190 VanDerWaalsContact O-N 3.07Å; S187-E190 PolarHBondContact O-N 2.58Å; W188-E190 VanDerWaalsContact C-N 3.29Å; W188-E190 PolarHBondContact O-N 2.97Å; E190-Q223 VanDerWaalsContact OE1-CD 3.28Å; E190-Q223 WeakPolarHBondContact OE1-CG 3.32Å; E190-Q223 PolarHBondContact OE1-NE2 3.48Å; E190-R227 PolarHBondContact O-NE 3.47Å; E190-R227 PolarHBondContact O-NH2 3.34Å |
| 191 | E | 84.3 | Confident | 91.2 | Very high | 166 Ų | 166 | 47 Ų | 47 | 78% | 0.776 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -97.4 | -12.9 | -174.8 | -60.4 | -175 | 170.8 | 0 | 0 | 113.8 | W188 F189 | W188-E191 PolarHBondContact O-N 2.9Å; F189-E191 VanDerWaalsContact C-N 3.33Å |
| 192 | R | 85.6 | Confident | 91.3 | Very high | 102 Ų | 102 | 46.9 Ų | 46.9 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -121.2 | 170.7 | -171.4 | -58.4 | -65.3 | -174.6 | 149.5 | 4.9 | 112.2 | W188 R227 | W188-R192 HydrophobicContact CD2-CB 4.21Å; W188-R192 HydrophobicContact CD2-CG 4.08Å; W188-R192 HydrophobicContact CE3-CB 4.12Å; W188-R192 HydrophobicContact CH2-CB 3.8Å; W188-R192 HydrophobicContact CH2-CG 4.28Å; W188-R192 HydrophobicContact CZ2-CB 3.9Å; W188-R192 HydrophobicContact CZ2-CG 3.84Å; W188-R192 HydrophobicContact CZ3-CB 3.91Å; W188-R192 WeakPolarHBondContact O-CB 3.28Å; W188-R192 WeakPolarHBondContact O-CG 3.19Å; W188-R192 PolarHBondContact O-N 2.92Å; R192-R227 PolarHBondContact O-NH2 2.94Å |
| 193 | E | 86.8 | Confident | 91.4 | Very high | 160 Ų | 160 | 49.9 Ų | 49.9 | 75% | 0.748 | 24% | 0.238 | S | C | * | . | trans | -75.3 | 159.7 | 175 | -66.3 | 179.8 | 169.1 | 0 | 0 | 111.2 | ||||
| 194 | F | 89.2 | Confident | 91.5 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | trans | -71 | 142.6 | 172.9 | -171.2 | -99.4 | 0 | 0 | 0 | 109.8 | F189 L198 L231 D242 A245 L246 L249 | F189-F194 HydrophobicContact CD2-CD2 4.42Å; F189-F194 HydrophobicContact CE2-CB 3.74Å; F189-F194 AromaticContact CE2-CD2 3.61Å; F189-F194 HydrophobicContact CE2-CD2 3.61Å; F189-F194 HydrophobicContact CE2-CG 4.16Å; F189-F194 HydrophobicContact CZ-CB 4.32Å; F189-F194 AromaticContact CZ-CD2 3.67Å; F189-F194 HydrophobicContact CZ-CD2 3.67Å; F189-F194 HydrophobicContact CZ-CG 4.45Å; F194-L198 HydrophobicContact CD2-CD2 4.41Å; F194-L231 HydrophobicContact CB-CD1 3.96Å; F194-D242 HydrophobicContact CD1-CB 3.83Å; F194-D242 VanDerWaalsContact CD1-CG 3.49Å; F194-D242 WeakPolarHBondContact CD1-OD1 3.41Å; F194-D242 HydrophobicContact CE1-CB 4.34Å; F194-A245 HydrophobicContact CE1-CB 3.74Å; F194-A245 HydrophobicContact CZ-CB 3.72Å; F194-L246 HydrophobicContact CD2-CD2 3.76Å; F194-L246 HydrophobicContact CE2-CD2 4.01Å; F194-L246 HydrophobicContact CG-CD2 4.03Å; F194-L246 HydrophobicContact CZ-CD2 4.47Å; F194-L249 HydrophobicContact CE2-CD1 3.99Å; F194-L249 HydrophobicContact CZ-CD1 4.42Å | ||
| 195 | V | 89.8 | Confident | 91.6 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | trans | -135.7 | 137.3 | 179.2 | 178.3 | 0 | 0 | 0 | 0 | 107.7 | T137 W188 Q197 L198 G199 | T137-V195 HydrophobicContact CG2-CG1 3.89Å; T137-V195 HydrophobicContact CG2-CG2 4.24Å; W188-V195 HydrophobicContact CH2-CG2 4.19Å; V195-Q197 HydrophobicContact CG1-CB 4.1Å; V195-Q197 PolarHBondContact O-N 3.44Å; V195-Q197 VanDerWaalsContact O-N 3.13Å; V195-L198 HydrophobicContact CB-CB 4.34Å; V195-L198 WeakPolarHBondContact O-CA 3.45Å; V195-L198 VanDerWaalsContact O-CB 3.27Å; V195-L198 WeakPolarHBondContact O-CB 3.33Å; V195-L198 PolarHBondContact O-N 3.42Å; V195-G199 PolarHBondContact O-N 3.29Å | ||
| 196 | P | 88.9 | Confident | 91.7 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.1 | -34.1 | -179.6 | -29.3 | 36 | 0 | 0 | 0 | 114.1 | G199 R200 | P196-G199 PolarHBondContact O-N 3.01Å; P196-R200 WeakPolarHBondContact O-CG 3.46Å; P196-R200 PolarHBondContact O-N 3.22Å |
| 197 | Q | 89.3 | Confident | 91.8 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 174.1 | -72.8 | 77.2 | -12.1 | 0 | 0 | 111.4 | L133 V195 R200 W201 | L133-Q197 HydrophobicContact CD2-CB 4.45Å; V195-Q197 HydrophobicContact CG1-CB 4.1Å; V195-Q197 PolarHBondContact O-N 3.44Å; V195-Q197 VanDerWaalsContact O-N 3.13Å; Q197-R200 PolarHBondContact O-N 3.37Å; Q197-W201 PolarHBondContact O-N 3.07Å; Q197-W201 VanDerWaalsContact O-N 3.1Å |
| 198 | L | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 174.2 | 174.9 | 69.3 | 0 | 0 | 0 | 110.2 | L133 L185 W188 F189 F194 V195 R200 W201 L202 | L133-L198 HydrophobicContact CD2-CB 3.84Å; L133-L198 HydrophobicContact CD2-CD1 4.28Å; L185-L198 HydrophobicContact CB-CD1 3.87Å; L185-L198 HydrophobicContact CD1-CD1 4.4Å; L185-L198 HydrophobicContact CD2-CD1 4.11Å; L185-L198 HydrophobicContact CG-CD1 4.35Å; W188-L198 HydrophobicContact CE3-CD1 4.37Å; W188-L198 HydrophobicContact CE3-CD2 4.03Å; W188-L198 HydrophobicContact CZ3-CD2 3.85Å; F189-L198 HydrophobicContact CB-CD2 3.69Å; F189-L198 HydrophobicContact CD2-CD2 3.47Å; F189-L198 VanDerWaalsContact CD2-CD2 3.47Å; F189-L198 HydrophobicContact CE2-CD2 4.22Å; F189-L198 HydrophobicContact CG-CD2 3.65Å; F194-L198 HydrophobicContact CD2-CD2 4.41Å; V195-L198 HydrophobicContact CB-CB 4.34Å; V195-L198 WeakPolarHBondContact O-CA 3.45Å; V195-L198 VanDerWaalsContact O-CB 3.27Å; V195-L198 WeakPolarHBondContact O-CB 3.33Å; V195-L198 PolarHBondContact O-N 3.42Å; L198-R200 VanDerWaalsContact C-N 3.33Å; L198-R200 PolarHBondContact O-N 3.07Å; L198-W201 PolarHBondContact O-N 3.49Å; L198-W201 VanDerWaalsContact O-N 3.15Å; L198-L202 HydrophobicContact CD1-CD1 4.06Å; L198-L202 HydrophobicContact CD1-CG 4.05Å; L198-L202 HydrophobicContact CD2-CD1 4.29Å; L198-L202 HydrophobicContact CG-CD1 3.79Å; L198-L202 HydrophobicContact CG-CG 4.2Å; L198-L202 WeakPolarHBondContact O-CB 3.49Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 3.37Å |
| 199 | G | 93.4 | Very high | 92 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 10% | 0.103 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.5 | -43.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V195 P196 Y203 | V195-G199 PolarHBondContact O-N 3.29Å; P196-G199 PolarHBondContact O-N 3.01Å; G199-Y203 VanDerWaalsContact O-CB 3.28Å; G199-Y203 WeakPolarHBondContact O-CB 3.27Å; G199-Y203 PolarHBondContact O-N 3.36Å |
| 200 | R | 94.4 | Very high | 91.9 | Very high | 147 Ų | 147 | 47.9 Ų | 47.9 | 56% | 0.555 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.8 | -44.2 | 175.7 | -69 | 171.3 | -170.5 | 142.3 | 4.8 | 111.9 | P165 P196 Q197 L198 A204 | P165-R200 HydrophobicContact CG-CB 4.02Å; P196-R200 WeakPolarHBondContact O-CG 3.46Å; P196-R200 PolarHBondContact O-N 3.22Å; Q197-R200 PolarHBondContact O-N 3.37Å; L198-R200 VanDerWaalsContact C-N 3.33Å; L198-R200 PolarHBondContact O-N 3.07Å; R200-A204 VanDerWaalsContact O-CB 3.31Å; R200-A204 WeakPolarHBondContact O-CB 3.42Å; R200-A204 PolarHBondContact O-N 3.36Å |
| 201 | W | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -47.8 | 177.7 | -87.8 | 108 | 0 | 0 | 0 | 112.1 | F131 C132 F163 P165 I169 V170 F173 L185 Q197 L198 Y203 A204 L205 | F131-W201 HydrophobicContact CD1-CH2 4.45Å; F131-W201 HydrophobicContact CD1-CZ2 4.32Å; F131-W201 AromaticContact CE1-CH2 3.96Å; F131-W201 HydrophobicContact CE1-CH2 3.96Å; F131-W201 HydrophobicContact CE1-CZ2 4.05Å; C132-W201 HydrophobicContact CB-CD2 3.99Å; C132-W201 HydrophobicContact CB-CG 4Å; C132-W201 HydrophobicContact CB-CZ2 4.35Å; C132-W201 PolarHBondContact O-NE1 2.99Å; F163-W201 VanDerWaalsContact O-CE2 3.25Å; F163-W201 WeakPolarHBondContact O-CZ2 3.33Å; F163-W201 PolarHBondContact O-NE1 3.44Å; P165-W201 HydrophobicContact CB-CD2 3.79Å; P165-W201 HydrophobicContact CB-CE3 3.68Å; P165-W201 HydrophobicContact CB-CG 4.42Å; P165-W201 HydrophobicContact CB-CH2 4.09Å; P165-W201 HydrophobicContact CB-CZ2 4.22Å; P165-W201 HydrophobicContact CB-CZ3 3.81Å; P165-W201 HydrophobicContact CG-CD2 4.28Å; P165-W201 HydrophobicContact CG-CG 4.44Å; I169-W201 HydrophobicContact CG2-CH2 4.1Å; V170-W201 HydrophobicContact CG1-CZ3 3.97Å; F173-W201 HydrophobicContact CE2-CZ3 4.01Å; F173-W201 HydrophobicContact CZ-CZ3 4.47Å; L185-W201 HydrophobicContact CD1-CB 3.71Å; L185-W201 HydrophobicContact CD1-CG 4.39Å; Q197-W201 PolarHBondContact O-N 3.07Å; Q197-W201 VanDerWaalsContact O-N 3.1Å; L198-W201 PolarHBondContact O-N 3.49Å; L198-W201 VanDerWaalsContact O-N 3.15Å; W201-Y203 VanDerWaalsContact C-N 3.34Å; W201-Y203 PolarHBondContact O-N 2.7Å; W201-A204 PolarHBondContact O-N 2.79Å; W201-L205 WeakPolarHBondContact O-CB 3.44Å; W201-L205 VanDerWaalsContact O-CG 3.25Å; W201-L205 WeakPolarHBondContact O-CG 3.37Å; W201-L205 PolarHBondContact O-N 3.24Å |
| 202 | L | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 176.2 | -69.6 | 173 | 0 | 0 | 0 | 111.1 | L182 L185 I186 L198 A204 L205 L206 L224 L249 | L182-L202 HydrophobicContact CD1-CD2 3.96Å; L185-L202 HydrophobicContact CB-CD2 4.03Å; I186-L202 HydrophobicContact CG1-CD2 4.27Å; L198-L202 HydrophobicContact CD1-CD1 4.06Å; L198-L202 HydrophobicContact CD1-CG 4.05Å; L198-L202 HydrophobicContact CD2-CD1 4.29Å; L198-L202 HydrophobicContact CG-CD1 3.79Å; L198-L202 HydrophobicContact CG-CG 4.2Å; L198-L202 WeakPolarHBondContact O-CB 3.49Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 3.37Å; L202-A204 PolarHBondContact O-N 2.93Å; L202-L205 PolarHBondContact O-N 3.47Å; L202-L206 WeakPolarHBondContact O-CB 3.12Å; L202-L206 WeakPolarHBondContact O-CG 3.37Å; L202-L206 PolarHBondContact O-N 2.85Å; L202-L224 HydrophobicContact CD1-CD1 3.71Å; L202-L224 HydrophobicContact CD1-CD2 4.3Å; L202-L224 HydrophobicContact CD2-CD1 4.48Å; L202-L224 HydrophobicContact CD2-CD2 4.19Å; L202-L249 HydrophobicContact CB-CD2 4.19Å; L202-L249 HydrophobicContact CD1-CD1 4.11Å |
| 203 | Y | 96.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 176.7 | -177.9 | -88.2 | 0 | 0 | 0 | 112.3 | F94 V97 G199 W201 L206 A207 L248 L252 | F94-Y203 HydrophobicContact CD2-CD2 4.43Å; F94-Y203 HydrophobicContact CD2-CE1 4.38Å; F94-Y203 AromaticContact CD2-CE2 3.64Å; F94-Y203 HydrophobicContact CD2-CE2 3.64Å; F94-Y203 AromaticContact CD2-CZ 3.61Å; F94-Y203 HydrophobicContact CE2-CD2 4.34Å; F94-Y203 HydrophobicContact CE2-CE1 4.45Å; F94-Y203 AromaticContact CE2-CE2 3.96Å; F94-Y203 HydrophobicContact CE2-CE2 3.96Å; V97-Y203 HydrophobicContact CG1-CE1 4.49Å; G199-Y203 VanDerWaalsContact O-CB 3.28Å; G199-Y203 WeakPolarHBondContact O-CB 3.27Å; G199-Y203 PolarHBondContact O-N 3.36Å; W201-Y203 VanDerWaalsContact C-N 3.34Å; W201-Y203 PolarHBondContact O-N 2.7Å; Y203-L206 PolarHBondContact O-N 2.78Å; Y203-A207 WeakPolarHBondContact O-CB 3.47Å; Y203-A207 PolarHBondContact O-N 3.37Å; Y203-L248 HydrophobicContact CD2-CD2 3.92Å; Y203-L248 HydrophobicContact CD2-CG 4.49Å; Y203-L248 HydrophobicContact CE2-CD2 3.91Å; Y203-L248 HydrophobicContact CE2-CG 4.47Å; Y203-L252 HydrophobicContact CD2-CD1 3.73Å; Y203-L252 HydrophobicContact CE2-CD1 3.69Å |
| 204 | A | 96.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 12% | 0.116 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P165 V170 R200 W201 L202 A207 C208 | P165-A204 HydrophobicContact CB-CB 3.49Å; P165-A204 VanDerWaalsContact CB-CB 3.49Å; P165-A204 HydrophobicContact CG-CB 3.9Å; V170-A204 HydrophobicContact CG1-CB 4.41Å; R200-A204 VanDerWaalsContact O-CB 3.31Å; R200-A204 WeakPolarHBondContact O-CB 3.42Å; R200-A204 PolarHBondContact O-N 3.36Å; W201-A204 PolarHBondContact O-N 2.79Å; L202-A204 PolarHBondContact O-N 2.93Å; A204-A207 WeakPolarHBondContact O-CB 3.4Å; A204-A207 PolarHBondContact O-N 3.4Å; A204-C208 PolarHBondContact O-N 2.97Å; A204-C208 PolarHBondContact O-SG 3.41Å; A204-C208 VanDerWaalsContact O-SG 3.36Å |
| 205 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.4 | -69.3 | 172.7 | 0 | 0 | 0 | 111.4 | F173 V178 L181 L182 L185 W201 L202 A207 C208 L209 | F173-L205 HydrophobicContact CD2-CD2 4.32Å; F173-L205 HydrophobicContact CE2-CD2 4.43Å; V178-L205 HydrophobicContact CG1-CB 4.38Å; V178-L205 HydrophobicContact CG1-CD2 4.23Å; V178-L205 WeakPolarHBondContact CG1-O 3.13Å; L181-L205 HydrophobicContact CB-CD1 3.92Å; L181-L205 HydrophobicContact CB-CD2 4.14Å; L181-L205 HydrophobicContact CD1-CD2 4.3Å; L182-L205 HydrophobicContact CB-CD1 4.45Å; L182-L205 HydrophobicContact CD1-CB 4.05Å; L182-L205 HydrophobicContact CD1-CD1 4.36Å; L185-L205 HydrophobicContact CD1-CD1 3.7Å; W201-L205 WeakPolarHBondContact O-CB 3.44Å; W201-L205 VanDerWaalsContact O-CG 3.25Å; W201-L205 WeakPolarHBondContact O-CG 3.37Å; W201-L205 PolarHBondContact O-N 3.24Å; L202-L205 PolarHBondContact O-N 3.47Å; L205-A207 VanDerWaalsContact C-N 3.26Å; L205-A207 PolarHBondContact O-N 3.46Å; L205-C208 CarbonylContact O-C 3.57Å; L205-C208 PolarHBondContact O-N 3.02Å; L205-C208 VanDerWaalsContact O-N 3.12Å; L205-L209 PolarHBondContact O-N 3.07Å; L205-L209 VanDerWaalsContact O-N 3.08Å |
| 206 | L | 96 | Very high | 93 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -40.2 | 172.2 | -71.6 | 170.9 | 0 | 0 | 0 | 111.2 | F94 L202 Y203 C208 L209 I221 L249 F257 | F94-L206 HydrophobicContact CE2-CB 4.48Å; F94-L206 HydrophobicContact CZ-CB 3.95Å; L202-L206 WeakPolarHBondContact O-CB 3.12Å; L202-L206 WeakPolarHBondContact O-CG 3.37Å; L202-L206 PolarHBondContact O-N 2.85Å; Y203-L206 PolarHBondContact O-N 2.78Å; L206-C208 VanDerWaalsContact C-N 3.31Å; L206-C208 PolarHBondContact O-N 3.28Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 3.26Å; L206-I221 HydrophobicContact CD2-CG2 3.68Å; L206-L249 HydrophobicContact CD1-CD2 3.88Å; L206-F257 HydrophobicContact CB-CE2 4.2Å; L206-F257 HydrophobicContact CB-CZ 4.32Å; L206-F257 HydrophobicContact CD2-CD2 4.5Å; L206-F257 HydrophobicContact CD2-CE2 3.78Å; L206-F257 HydrophobicContact CD2-CZ 4.14Å; L206-F257 HydrophobicContact CG-CE2 4.46Å |
| 207 | A | 95.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -35 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F94 V97 R98 I101 Y203 A204 L205 L209 | F94-A207 HydrophobicContact CE2-CB 3.83Å; F94-A207 HydrophobicContact CZ-CB 4.12Å; V97-A207 HydrophobicContact CG1-CB 4.4Å; R98-A207 WeakPolarHBondContact CD-O 3.26Å; R98-A207 HydrophobicContact CG-CB 4.09Å; R98-A207 WeakPolarHBondContact CG-O 3.39Å; R98-A207 PolarHBondContact NE-O 3.5Å; I101-A207 HydrophobicContact CD1-CB 3.65Å; Y203-A207 WeakPolarHBondContact O-CB 3.47Å; Y203-A207 PolarHBondContact O-N 3.37Å; A204-A207 WeakPolarHBondContact O-CB 3.4Å; A204-A207 PolarHBondContact O-N 3.4Å; L205-A207 VanDerWaalsContact C-N 3.26Å; L205-A207 PolarHBondContact O-N 3.46Å; A207-L209 VanDerWaalsContact C-N 3.31Å; A207-L209 PolarHBondContact O-N 3Å |
| 208 | C | 94.3 | Very high | 93.4 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 10% | 0.095 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -79 | -8.2 | 176.7 | -68.3 | 0 | 0 | 0 | 0 | 114.5 | Q175 V178 A204 L205 L206 E210 | Q175-C208 PolarHBondContact NE2-O 2.88Å; V178-C208 HydrophobicContact CG1-CB 4.37Å; V178-C208 HydrophobicContact CG2-CB 4.03Å; A204-C208 PolarHBondContact O-N 2.97Å; A204-C208 PolarHBondContact O-SG 3.41Å; A204-C208 VanDerWaalsContact O-SG 3.36Å; L205-C208 CarbonylContact O-C 3.57Å; L205-C208 PolarHBondContact O-N 3.02Å; L205-C208 VanDerWaalsContact O-N 3.12Å; L206-C208 VanDerWaalsContact C-N 3.31Å; L206-C208 PolarHBondContact O-N 3.28Å; C208-E210 PolarHBondContact O-N 3.46Å |
| 209 | L | 93.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | -79.4 | 112.2 | -173 | -155.5 | 153.4 | 0 | 0 | 0 | 111.6 | R98 V178 L179 L182 L205 L206 A207 L213 F257 | R98-L209 VanDerWaalsContact CZ-O 3.23Å; R98-L209 PolarHBondContact NH2-O 3.39Å; V178-L209 HydrophobicContact CG1-CB 4.45Å; L179-L209 HydrophobicContact CD2-CD1 4.14Å; L179-L209 HydrophobicContact CD2-CG 4.36Å; L182-L209 HydrophobicContact CD2-CD1 3.7Å; L205-L209 PolarHBondContact O-N 3.07Å; L205-L209 VanDerWaalsContact O-N 3.08Å; L206-L209 WeakPolarHBondContact O-CB 3.38Å; L206-L209 PolarHBondContact O-N 3.26Å; A207-L209 VanDerWaalsContact C-N 3.31Å; A207-L209 PolarHBondContact O-N 3Å; L209-L213 HydrophobicContact CD2-CD1 3.53Å; L209-L213 HydrophobicContact CD2-CD2 3.58Å; L209-L213 HydrophobicContact CD2-CG 3.31Å; L209-F257 HydrophobicContact CD2-CE1 4.25Å | ||
| 210 | E | 89.7 | Confident | 93.6 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 145.2 | -173.9 | -75.5 | 163.4 | -147.9 | 0 | 0 | 113.1 | R105 Q175 C208 | R105-E210 IonicContact CZ-OE1 2.78Å; R105-E210 IonicContact NH1-OE1 3.88Å; R105-E210 PolarHBondContact NH1-OE1 3.41Å; R105-E210 IonicContact NH2-OE1 3.37Å; Q175-E210 VanDerWaalsContact CD-CD 3.46Å; Q175-E210 HydrophobicContact CG-CB 4.21Å; Q175-E210 HydrophobicContact CG-CG 4.31Å; Q175-E210 PolarHBondContact NE2-OE1 3.36Å; C208-E210 PolarHBondContact O-N 3.46Å |
| 211 | K | 88.2 | Confident | 93.6 | Very high | 88 Ų | 88 | 41.9 Ų | 41.9 | 38% | 0.383 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -98.1 | 144.8 | 173 | -71.5 | -171.3 | 172.6 | -165.9 | 0 | 109.4 | L213 Y256 E258 | K211-L213 HydrophobicContact CB-CD1 4.38Å; K211-L213 HydrophobicContact CG-CD1 3.61Å; K211-Y256 PolarHBondContact NZ-O 3.45Å; K211-E258 IonicContact NZ-OE1 3.77Å; K211-E258 PolarHBondContact NZ-OE1 2.97Å |
| 212 | P | 90.7 | Very high | 93.6 | Very high | 128 Ų | 128 | 43.8 Ų | 43.8 | 83% | 0.831 | 24% | 0.236 | S | C | * | . | S | Bend | cis | -74.8 | 143.9 | 2.3 | 31.2 | -35.1 | 0 | 0 | 0 | 112.9 | ||
| 213 | L | 90.5 | Very high | 93.5 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 145.8 | 179.5 | -89.7 | 73.4 | 0 | 0 | 0 | 111 | L209 K211 A217 H218 I221 F257 | L209-L213 HydrophobicContact CD2-CD1 3.53Å; L209-L213 HydrophobicContact CD2-CD2 3.58Å; L209-L213 HydrophobicContact CD2-CG 3.31Å; K211-L213 HydrophobicContact CB-CD1 4.38Å; K211-L213 HydrophobicContact CG-CD1 3.61Å; L213-A217 HydrophobicContact CB-CB 4.49Å; L213-A217 HydrophobicContact CD2-CB 4.26Å; L213-A217 HydrophobicContact CG-CB 4.39Å; L213-H218 WeakPolarHBondContact CB-NE2 3.38Å; L213-I221 HydrophobicContact CD2-CD1 3.82Å; L213-F257 HydrophobicContact CD1-CD1 3.77Å; L213-F257 HydrophobicContact CD1-CE1 3.97Å; L213-F257 HydrophobicContact CD2-CD1 3.72Å; L213-F257 HydrophobicContact CD2-CE1 4.21Å; L213-F257 HydrophobicContact CD2-CG 4.47Å; L213-F257 HydrophobicContact CG-CD1 4.42Å |
| 214 | L | 91.9 | Very high | 93.5 | Very high | 100 Ų | 100 | 44.2 Ų | 44.2 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -71.8 | 149.9 | 166.8 | -64.3 | 175.1 | 0 | 0 | 0 | 110.5 | L179 E216 A217 H218 | L179-L214 HydrophobicContact CD1-CD1 4.3Å; L214-E216 WeakPolarHBondContact CB-OE2 3.49Å; L214-E216 PolarHBondContact O-N 3.35Å; L214-A217 HydrophobicContact CB-CB 4.48Å; L214-A217 WeakPolarHBondContact O-CB 3.25Å; L214-A217 PolarHBondContact O-N 3.1Å; L214-H218 PolarHBondContact O-N 3.15Å |
| 215 | P | 93.1 | Very high | 93.4 | Very high | 94 Ų | 94 | 43.6 Ų | 43.6 | 61% | 0.61 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -54.4 | -35.8 | 176.7 | -26.7 | 35.6 | 0 | 0 | 0 | 113.6 | H218 S219 | P215-H218 WeakPolarHBondContact O-CB 3.41Å; P215-H218 PolarHBondContact O-N 2.98Å; P215-S219 PolarHBondContact O-N 3.42Å |
| 216 | E | 91.8 | Very high | 93.4 | Very high | 125 Ų | 125 | 45.5 Ų | 45.5 | 58% | 0.584 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.6 | -46.4 | 177 | -61.2 | 76.6 | -169.6 | 0 | 0 | 110.5 | L214 H218 S219 S220 | L214-E216 WeakPolarHBondContact CB-OE2 3.49Å; L214-E216 PolarHBondContact O-N 3.35Å; E216-H218 VanDerWaalsContact C-N 3.3Å; E216-H218 PolarHBondContact O-N 3.45Å; E216-S219 WeakPolarHBondContact O-CA 3.43Å; E216-S219 WeakPolarHBondContact O-CB 3.31Å; E216-S219 PolarHBondContact O-N 2.95Å; E216-S220 PolarHBondContact O-N 3.26Å; E216-S220 PolarHBondContact O-OG 3.05Å |
| 217 | A | 92.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L179 L213 L214 S220 I221 | L179-A217 HydrophobicContact CD2-CB 3.51Å; L213-A217 HydrophobicContact CB-CB 4.49Å; L213-A217 HydrophobicContact CD2-CB 4.26Å; L213-A217 HydrophobicContact CG-CB 4.39Å; L214-A217 HydrophobicContact CB-CB 4.48Å; L214-A217 WeakPolarHBondContact O-CB 3.25Å; L214-A217 PolarHBondContact O-N 3.1Å; A217-S220 PolarHBondContact O-N 2.85Å; A217-I221 WeakPolarHBondContact O-CG1 3.34Å; A217-I221 PolarHBondContact O-N 2.94Å; A217-I221 VanDerWaalsContact O-N 3.08Å |
| 218 | H | 94.6 | Very high | 93.2 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 171.6 | -83.6 | -64.2 | 0 | 0 | 0 | 111.7 | L213 L214 P215 E216 S220 I221 R222 Q259 | L213-H218 WeakPolarHBondContact CB-NE2 3.38Å; L214-H218 PolarHBondContact O-N 3.15Å; P215-H218 WeakPolarHBondContact O-CB 3.41Å; P215-H218 PolarHBondContact O-N 2.98Å; E216-H218 VanDerWaalsContact C-N 3.3Å; E216-H218 PolarHBondContact O-N 3.45Å; H218-S220 PolarHBondContact O-N 3.49Å; H218-I221 VanDerWaalsContact O-CG1 3.28Å; H218-I221 WeakPolarHBondContact O-CG1 3.27Å; H218-R222 WeakPolarHBondContact O-CB 3.25Å; H218-R222 WeakPolarHBondContact O-CD 3.26Å; H218-R222 WeakPolarHBondContact O-CG 3.38Å; H218-R222 PolarHBondContact O-N 3.19Å; H218-R222 VanDerWaalsContact O-N 3.08Å; H218-Q259 PolarHBondContact CE1-NE2 2.95Å; H218-Q259 VanDerWaalsContact CE1-NE2 3.28Å; H218-Q259 PolarHBondContact ND1-NE2 3.36Å |
| 219 | S | 94 | Very high | 93.1 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 46% | 0.462 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.3 | -47 | 177.3 | -171.8 | 0 | 0 | 0 | 0 | 112 | P215 E216 R222 Q223 | P215-S219 PolarHBondContact O-N 3.42Å; E216-S219 WeakPolarHBondContact O-CA 3.43Å; E216-S219 WeakPolarHBondContact O-CB 3.31Å; E216-S219 PolarHBondContact O-N 2.95Å; S219-R222 WeakPolarHBondContact O-CB 3.45Å; S219-R222 PolarHBondContact O-N 2.94Å; S219-Q223 PolarHBondContact O-N 3.38Å |
| 220 | S | 94.4 | Very high | 93 | Very high | 14 Ų | 14 | 51 Ų | 51 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -49.3 | -179.7 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | D183 I186 E216 A217 H218 R222 Q223 L224 | D183-S220 WeakPolarHBondContact OD1-CB 3.26Å; D183-S220 PolarHBondContact OD1-OG 3.32Å; I186-S220 WeakPolarHBondContact CD1-O 3.39Å; E216-S220 PolarHBondContact O-N 3.26Å; E216-S220 PolarHBondContact O-OG 3.05Å; A217-S220 PolarHBondContact O-N 2.85Å; H218-S220 PolarHBondContact O-N 3.49Å; S220-R222 VanDerWaalsContact C-N 3.25Å; S220-R222 PolarHBondContact O-N 3.13Å; S220-Q223 WeakPolarHBondContact O-CB 3.46Å; S220-Q223 PolarHBondContact O-N 2.99Å; S220-Q223 VanDerWaalsContact O-N 3.09Å; S220-L224 PolarHBondContact O-N 3.37Å |
| 221 | I | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -30.4 | 179.1 | 65.7 | 178.3 | 0 | 0 | 0 | 112.5 | L182 L206 L213 A217 H218 L224 A225 V253 F257 | L182-I221 HydrophobicContact CD2-CG2 3.8Å; L206-I221 HydrophobicContact CD2-CG2 3.68Å; L213-I221 HydrophobicContact CD2-CD1 3.82Å; A217-I221 WeakPolarHBondContact O-CG1 3.34Å; A217-I221 PolarHBondContact O-N 2.94Å; A217-I221 VanDerWaalsContact O-N 3.08Å; H218-I221 VanDerWaalsContact O-CG1 3.28Å; H218-I221 WeakPolarHBondContact O-CG1 3.27Å; I221-L224 WeakPolarHBondContact O-CB 3.38Å; I221-L224 PolarHBondContact O-N 3.44Å; I221-A225 PolarHBondContact O-N 2.85Å; I221-V253 HydrophobicContact CB-CG1 4.25Å; I221-V253 HydrophobicContact CB-CG2 3.98Å; I221-V253 HydrophobicContact CD1-CG1 4.29Å; I221-V253 HydrophobicContact CG1-CG1 4.04Å; I221-V253 WeakPolarHBondContact O-CG1 3.36Å; I221-F257 HydrophobicContact CD1-CB 3.57Å; I221-F257 HydrophobicContact CD1-CD1 4.34Å; I221-F257 HydrophobicContact CD1-CD2 4.22Å; I221-F257 HydrophobicContact CD1-CG 3.81Å |
| 222 | R | 95.4 | Very high | 93.2 | Very high | 41 Ų | 41 | 44.1 Ų | 44.1 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.3 | -40.7 | 173.5 | -68.8 | 169 | 69.4 | 69.3 | 7.1 | 111.1 | H218 S219 S220 L224 A225 R226 Q259 D261 L262 | H218-R222 WeakPolarHBondContact O-CB 3.25Å; H218-R222 WeakPolarHBondContact O-CD 3.26Å; H218-R222 WeakPolarHBondContact O-CG 3.38Å; H218-R222 PolarHBondContact O-N 3.19Å; H218-R222 VanDerWaalsContact O-N 3.08Å; S219-R222 WeakPolarHBondContact O-CB 3.45Å; S219-R222 PolarHBondContact O-N 2.94Å; S220-R222 VanDerWaalsContact C-N 3.25Å; S220-R222 PolarHBondContact O-N 3.13Å; R222-L224 VanDerWaalsContact C-N 3.33Å; R222-A225 PolarHBondContact O-N 2.89Å; R222-R226 WeakPolarHBondContact O-CG 3.29Å; R222-R226 PolarHBondContact O-N 3.45Å; R222-Q259 VanDerWaalsContact CD-OE1 3.23Å; R222-Q259 HydrophobicContact CG-CB 4.46Å; R222-Q259 HydrophobicContact CG-CG 3.94Å; R222-D261 IonicContact CZ-OD1 3.53Å; R222-D261 IonicContact CZ-OD2 3.79Å; R222-D261 VanDerWaalsContact NH1-CG 3.35Å; R222-D261 IonicContact NH1-OD1 3.47Å; R222-D261 PolarHBondContact NH1-OD1 2.94Å; R222-D261 IonicContact NH1-OD2 2.7Å; R222-D261 PolarHBondContact NH1-OD2 2.79Å; R222-D261 VanDerWaalsContact NH1-OD2 3.11Å; R222-D261 IonicContact NH2-OD1 2.71Å; R222-D261 IonicContact NH2-OD2 3.7Å; R222-D261 PolarHBondContact NH2-OD2 3.01Å; R222-L262 HydrophobicContact CB-CD1 3.83Å; R222-L262 HydrophobicContact CG-CD1 3.67Å |
| 223 | Q | 94.2 | Very high | 93.1 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.2 | -172.4 | 168.9 | 12.9 | 0 | 0 | 111.3 | I186 E190 S219 S220 R226 R227 | I186-Q223 HydrophobicContact CG2-CG 4.37Å; E190-Q223 VanDerWaalsContact OE1-CD 3.28Å; E190-Q223 WeakPolarHBondContact OE1-CG 3.32Å; E190-Q223 PolarHBondContact OE1-NE2 3.48Å; S219-Q223 PolarHBondContact O-N 3.38Å; S220-Q223 WeakPolarHBondContact O-CB 3.46Å; S220-Q223 PolarHBondContact O-N 2.99Å; S220-Q223 VanDerWaalsContact O-N 3.09Å; Q223-R226 PolarHBondContact O-N 3.08Å; Q223-R227 PolarHBondContact O-N 3.36Å |
| 224 | L | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.9 | -52.3 | 171.7 | 174.6 | 60.1 | 0 | 0 | 0 | 112 | I186 F189 L202 S220 I221 R222 R226 R227 C228 | I186-L224 HydrophobicContact CD1-CB 3.88Å; I186-L224 HydrophobicContact CD1-CD2 4.49Å; I186-L224 HydrophobicContact CG1-CB 3.97Å; I186-L224 HydrophobicContact CG1-CD1 4.3Å; I186-L224 HydrophobicContact CG1-CD2 4.47Å; I186-L224 HydrophobicContact CG1-CG 4.47Å; F189-L224 HydrophobicContact CD1-CD1 3.75Å; F189-L224 HydrophobicContact CE1-CD1 3.87Å; L202-L224 HydrophobicContact CD1-CD1 3.71Å; L202-L224 HydrophobicContact CD1-CD2 4.3Å; L202-L224 HydrophobicContact CD2-CD1 4.48Å; L202-L224 HydrophobicContact CD2-CD2 4.19Å; S220-L224 PolarHBondContact O-N 3.37Å; I221-L224 WeakPolarHBondContact O-CB 3.38Å; I221-L224 PolarHBondContact O-N 3.44Å; R222-L224 VanDerWaalsContact C-N 3.33Å; L224-R226 VanDerWaalsContact C-N 3.29Å; L224-R226 PolarHBondContact O-N 3.22Å; L224-R227 PolarHBondContact O-N 2.94Å; L224-R227 VanDerWaalsContact O-N 3.12Å; L224-C228 PolarHBondContact O-N 3.45Å; L224-C228 PolarHBondContact O-SG 3.38Å; L224-C228 VanDerWaalsContact O-SG 3.35Å |
| 225 | A | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -38 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C73 I221 R222 C228 A229 V253 L262 | C73-A225 PolarHBondContact SG-O 3.41Å; C73-A225 VanDerWaalsContact SG-O 3.39Å; I221-A225 PolarHBondContact O-N 2.85Å; R222-A225 PolarHBondContact O-N 2.89Å; A225-C228 PolarHBondContact O-N 3.46Å; A225-A229 WeakPolarHBondContact O-CB 3.41Å; A225-A229 PolarHBondContact O-N 3.34Å; A225-V253 HydrophobicContact CB-CB 4Å; A225-V253 HydrophobicContact CB-CG1 3.86Å; A225-V253 HydrophobicContact CB-CG2 4.27Å; A225-L262 HydrophobicContact CB-CD1 4.24Å |
| 226 | R | 93.9 | Very high | 92.2 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 15% | 0.151 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 173.8 | -70.1 | 178.9 | -163 | 116.8 | -4.7 | 111.6 | A71 R222 Q223 L224 A229 Q230 | A71-R226 PolarHBondContact O-NE 3.07Å; R222-R226 WeakPolarHBondContact O-CG 3.29Å; R222-R226 PolarHBondContact O-N 3.45Å; Q223-R226 PolarHBondContact O-N 3.08Å; L224-R226 VanDerWaalsContact C-N 3.29Å; L224-R226 PolarHBondContact O-N 3.22Å; R226-A229 PolarHBondContact O-N 3.08Å; R226-Q230 VanDerWaalsContact O-CG 3.31Å; R226-Q230 WeakPolarHBondContact O-CG 3.45Å; R226-Q230 PolarHBondContact O-N 2.87Å |
| 227 | R | 93.3 | Very high | 91.8 | Very high | 47 Ų | 47 | 40.4 Ų | 40.4 | 18% | 0.177 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.7 | -176.5 | 62.1 | -178.6 | 143.8 | 2.3 | 111.6 | F189 E190 R192 Q223 L224 A229 Q230 L231 | F189-R227 HydrophobicContact CD1-CB 4.11Å; F189-R227 HydrophobicContact CD1-CG 3.51Å; F189-R227 HydrophobicContact CE1-CB 3.88Å; F189-R227 HydrophobicContact CE1-CG 3.37Å; F189-R227 HydrophobicContact CE2-CG 4.48Å; F189-R227 HydrophobicContact CG-CG 4.16Å; F189-R227 HydrophobicContact CZ-CG 3.91Å; F189-R227 PolarHBondContact O-NE 3.26Å; E190-R227 PolarHBondContact O-NE 3.47Å; E190-R227 PolarHBondContact O-NH2 3.34Å; R192-R227 PolarHBondContact O-NH2 2.94Å; Q223-R227 PolarHBondContact O-N 3.36Å; L224-R227 PolarHBondContact O-N 2.94Å; L224-R227 VanDerWaalsContact O-N 3.12Å; R227-A229 VanDerWaalsContact C-N 3.34Å; R227-A229 PolarHBondContact O-N 2.65Å; R227-Q230 WeakPolarHBondContact O-CB 3.25Å; R227-Q230 PolarHBondContact O-N 2.92Å; R227-L231 PolarHBondContact O-N 2.78Å |
| 228 | C | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 173 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | L224 A225 Q230 L231 R232 L246 I250 | L224-C228 PolarHBondContact O-N 3.45Å; L224-C228 PolarHBondContact O-SG 3.38Å; L224-C228 VanDerWaalsContact O-SG 3.35Å; A225-C228 PolarHBondContact O-N 3.46Å; C228-Q230 VanDerWaalsContact C-N 3.35Å; C228-L231 PolarHBondContact O-N 3.24Å; C228-R232 WeakPolarHBondContact O-CB 3.08Å; C228-R232 PolarHBondContact O-N 3.09Å; C228-L246 HydrophobicContact CB-CB 4.38Å; C228-L246 HydrophobicContact CB-CD2 3.97Å; C228-I250 HydrophobicContact CB-CD1 3.86Å; C228-I250 HydrophobicContact CB-CG1 3.68Å |
| 229 | A | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C73 L74 A225 R226 R227 R232 S233 I250 | C73-A229 HydrophobicContact CB-CB 3.81Å; L74-A229 HydrophobicContact CB-CB 4.37Å; A225-A229 WeakPolarHBondContact O-CB 3.41Å; A225-A229 PolarHBondContact O-N 3.34Å; R226-A229 PolarHBondContact O-N 3.08Å; R227-A229 VanDerWaalsContact C-N 3.34Å; R227-A229 PolarHBondContact O-N 2.65Å; A229-R232 PolarHBondContact O-N 3.23Å; A229-S233 PolarHBondContact O-N 2.61Å; A229-I250 HydrophobicContact CB-CD1 4.07Å |
| 230 | Q | 92 | Very high | 90.1 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -50.4 | 173.4 | -74.6 | 171 | -3 | 0 | 0 | 111.8 | L74 R226 R227 C228 R232 S233 T234 | L74-Q230 HydrophobicContact CD1-CG 4.01Å; R226-Q230 VanDerWaalsContact O-CG 3.31Å; R226-Q230 WeakPolarHBondContact O-CG 3.45Å; R226-Q230 PolarHBondContact O-N 2.87Å; R227-Q230 WeakPolarHBondContact O-CB 3.25Å; R227-Q230 PolarHBondContact O-N 2.92Å; C228-Q230 VanDerWaalsContact C-N 3.35Å; Q230-R232 VanDerWaalsContact C-N 3.34Å; Q230-R232 PolarHBondContact O-N 3.23Å; Q230-S233 PolarHBondContact O-N 2.81Å; Q230-S233 VanDerWaalsContact O-N 3.17Å; Q230-S233 PolarHBondContact O-OG 2.84Å; Q230-T234 PolarHBondContact O-N 3.36Å |
| 231 | L | 90.7 | Very high | 89.7 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 176.5 | -72.6 | -173.4 | 0 | 0 | 0 | 111.3 | F189 F194 R227 C228 S233 T234 M235 L246 | F189-L231 HydrophobicContact CD2-CD1 4.5Å; F189-L231 HydrophobicContact CE2-CD1 3.32Å; F189-L231 HydrophobicContact CZ-CD1 3.42Å; F189-L231 VanDerWaalsContact CZ-CD1 3.42Å; F189-L231 HydrophobicContact CZ-CG 4.42Å; F194-L231 HydrophobicContact CB-CD1 3.96Å; R227-L231 PolarHBondContact O-N 2.78Å; C228-L231 PolarHBondContact O-N 3.24Å; L231-S233 PolarHBondContact O-N 2.95Å; L231-T234 PolarHBondContact O-N 2.92Å; L231-T234 PolarHBondContact O-OG1 2.78Å; L231-M235 WeakPolarHBondContact O-CG 3.46Å; L231-M235 PolarHBondContact O-N 3.43Å; L231-L246 HydrophobicContact CB-CD1 4.09Å |
| 232 | R | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.4 | -36.5 | 176 | -173.4 | 177.1 | 64 | -178.9 | -0.1 | 113 | F80 C228 A229 Q230 T234 M235 L243 L246 N247 D264 | F80-R232 HydrophobicContact CD1-CG 4.44Å; C228-R232 WeakPolarHBondContact O-CB 3.08Å; C228-R232 PolarHBondContact O-N 3.09Å; A229-R232 PolarHBondContact O-N 3.23Å; Q230-R232 VanDerWaalsContact C-N 3.34Å; Q230-R232 PolarHBondContact O-N 3.23Å; R232-T234 VanDerWaalsContact C-N 3.27Å; R232-T234 PolarHBondContact O-N 3.23Å; R232-M235 PolarHBondContact O-N 3.47Å; R232-L243 HydrophobicContact CG-CD1 3.79Å; R232-L246 HydrophobicContact CB-CD1 4.24Å; R232-N247 WeakPolarHBondContact CD-OD1 3.49Å; R232-N247 PolarHBondContact NH1-OD1 2.53Å; R232-D264 IonicContact CZ-OD1 3.11Å; R232-D264 IonicContact CZ-OD2 2.71Å; R232-D264 VanDerWaalsContact NH1-CG 3.33Å; R232-D264 IonicContact NH1-OD1 2.84Å; R232-D264 PolarHBondContact NH1-OD1 3.23Å; R232-D264 IonicContact NH1-OD2 2.68Å; R232-D264 PolarHBondContact NH1-OD2 2.81Å; R232-D264 IonicContact NH2-OD1 3.35Å; R232-D264 PolarHBondContact NH2-OD1 3.23Å; R232-D264 IonicContact NH2-OD2 3.35Å |
| 233 | S | 88.9 | Confident | 89.2 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.3 | -21.8 | 177.7 | 75.2 | 0 | 0 | 0 | 0 | 114.2 | A229 Q230 L231 | A229-S233 PolarHBondContact O-N 2.61Å; Q230-S233 PolarHBondContact O-N 2.81Å; Q230-S233 VanDerWaalsContact O-N 3.17Å; Q230-S233 PolarHBondContact O-OG 2.84Å; L231-S233 PolarHBondContact O-N 2.95Å |
| 234 | T | 88.5 | Confident | 89.2 | Confident | 96 Ų | 96 | 59.4 Ų | 59.4 | 59% | 0.589 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -89.7 | -7.1 | 177.7 | 58 | 0 | 0 | 0 | 0 | 113.5 | Q230 L231 R232 | Q230-T234 PolarHBondContact O-N 3.36Å; L231-T234 PolarHBondContact O-N 2.92Å; L231-T234 PolarHBondContact O-OG1 2.78Å; R232-T234 VanDerWaalsContact C-N 3.27Å; R232-T234 PolarHBondContact O-N 3.23Å |
| 235 | M | 86.8 | Confident | 89.1 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | trans | -79.7 | 140 | -178.5 | -63.4 | 171.5 | 93.9 | 0 | 0 | 111.1 | F80 L231 R232 D240 D242 L243 L246 | F80-M235 HydrophobicContact CE1-CB 4.07Å; L231-M235 WeakPolarHBondContact O-CG 3.46Å; L231-M235 PolarHBondContact O-N 3.43Å; R232-M235 PolarHBondContact O-N 3.47Å; M235-D240 HydrophobicContact CE-CB 3.32Å; M235-D240 WeakPolarHBondContact CE-OD1 3.44Å; M235-D240 WeakPolarHBondContact CE-OD2 3.37Å; M235-D242 HydrophobicContact CE-CB 4.07Å; M235-L243 HydrophobicContact CE-CB 4.17Å; M235-L246 HydrophobicContact SD-CD1 3.74Å | ||
| 236 | N | 80.4 | Confident | 89.1 | Confident | 164 Ų | 164 | 61 Ų | 61 | 88% | 0.877 | 32% | 0.321 | S | S | * | . | trans | -102.4 | -17.4 | -175.7 | -64.2 | -34.3 | 0 | 0 | 0 | 113.7 | ||||
| 237 | S | 84.8 | Confident | 89.1 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | trans | -126.5 | 142.8 | -174.9 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | F80 E239 | F80-S237 VanDerWaalsContact CE1-O 3.31Å; F80-S237 WeakPolarHBondContact CE1-O 3.35Å; F80-S237 VanDerWaalsContact CZ-C 3.49Å; F80-S237 WeakPolarHBondContact CZ-O 3.34Å; S237-E239 VanDerWaalsContact C-N 3.26Å; S237-E239 PolarHBondContact OG-N 3.34Å | ||
| 238 | Q | 80.1 | Confident | 89.3 | Confident | 115 Ų | 115 | 59.1 Ų | 59.1 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -15.2 | 172.1 | -67.9 | 177.3 | -4.7 | 0 | 0 | 112.6 | G79 F80 D240 | G79-Q238 PolarHBondContact O-NE2 3.01Å; F80-Q238 HydrophobicContact CD2-CG 3.82Å; F80-Q238 HydrophobicContact CE1-CG 4.47Å; F80-Q238 HydrophobicContact CE2-CG 3.45Å; F80-Q238 VanDerWaalsContact CE2-CG 3.45Å; F80-Q238 HydrophobicContact CG-CG 4.47Å; F80-Q238 HydrophobicContact CZ-CG 3.82Å; Q238-D240 VanDerWaalsContact C-N 3.28Å |
| 239 | E | 79.8 | Confident | 89.4 | Confident | 176 Ų | 176 | 59.3 Ų | 59.3 | 82% | 0.822 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.8 | -179.9 | -59.8 | -175.6 | 167 | 0 | 0 | 112.9 | S237 E241 | S237-E239 VanDerWaalsContact C-N 3.26Å; S237-E239 PolarHBondContact OG-N 3.34Å; E239-E241 PolarHBondContact O-N 3.38Å |
| 240 | D | 85.3 | Confident | 89.5 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | trans | -68.2 | 129.9 | 177.6 | -160.6 | -42.7 | 0 | 0 | 0 | 110.5 | M235 Q238 D242 L243 | M235-D240 HydrophobicContact CE-CB 3.32Å; M235-D240 WeakPolarHBondContact CE-OD1 3.44Å; M235-D240 WeakPolarHBondContact CE-OD2 3.37Å; Q238-D240 VanDerWaalsContact C-N 3.28Å; D240-D242 PolarHBondContact O-N 3.46Å; D240-D242 VanDerWaalsContact O-N 3.16Å; D240-D242 PolarHBondContact OD1-N 2.67Å; D240-L243 WeakPolarHBondContact O-CB 3.17Å; D240-L243 PolarHBondContact O-N 2.89Å | ||
| 241 | E | 86.4 | Confident | 89.7 | Confident | 171 Ų | 171 | 55.2 Ų | 55.2 | 80% | 0.799 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.3 | -176.6 | -70.1 | -77 | 147.4 | 0 | 0 | 112.3 | E239 P244 | E239-E241 PolarHBondContact O-N 3.38Å; E241-P244 WeakPolarHBondContact O-CD 3.18Å |
| 242 | D | 89 | Confident | 90 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 20% | 0.198 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -20.9 | -176.1 | -68.5 | -25.9 | 0 | 0 | 0 | 113.1 | F194 M235 D240 A245 L246 | F194-D242 HydrophobicContact CD1-CB 3.83Å; F194-D242 VanDerWaalsContact CD1-CG 3.49Å; F194-D242 WeakPolarHBondContact CD1-OD1 3.41Å; F194-D242 HydrophobicContact CE1-CB 4.34Å; M235-D242 HydrophobicContact CE-CB 4.07Å; D240-D242 PolarHBondContact O-N 3.46Å; D240-D242 VanDerWaalsContact O-N 3.16Å; D240-D242 PolarHBondContact OD1-N 2.67Å; D242-A245 WeakPolarHBondContact O-CB 3.33Å; D242-A245 PolarHBondContact O-N 2.94Å; D242-A245 VanDerWaalsContact O-N 3.08Å; D242-L246 WeakPolarHBondContact O-CG 3.27Å; D242-L246 PolarHBondContact O-N 3.25Å |
| 243 | L | 91.7 | Very high | 90.2 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | -174.3 | 174.9 | 61.7 | 0 | 0 | 0 | 113.2 | F80 R232 M235 D240 A245 L246 N247 | F80-L243 HydrophobicContact CB-CD1 4.25Å; F80-L243 HydrophobicContact CB-CD2 4.48Å; F80-L243 HydrophobicContact CD1-CD1 3.63Å; F80-L243 HydrophobicContact CD1-CD2 3.59Å; F80-L243 HydrophobicContact CD1-CG 4.25Å; F80-L243 HydrophobicContact CE1-CD1 4.49Å; F80-L243 HydrophobicContact CE1-CD2 4.05Å; F80-L243 HydrophobicContact CG-CD1 4.39Å; F80-L243 HydrophobicContact CG-CD2 4.18Å; R232-L243 HydrophobicContact CG-CD1 3.79Å; M235-L243 HydrophobicContact CE-CB 4.17Å; D240-L243 WeakPolarHBondContact O-CB 3.17Å; D240-L243 PolarHBondContact O-N 2.89Å; L243-A245 VanDerWaalsContact C-N 3.27Å; L243-A245 PolarHBondContact O-N 2.95Å; L243-L246 PolarHBondContact O-N 2.68Å; L243-N247 WeakPolarHBondContact O-CB 3.5Å; L243-N247 PolarHBondContact O-N 2.88Å |
| 244 | P | 92.7 | Very high | 90.5 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 177.5 | -22.1 | 34.4 | 0 | 0 | 0 | 112.7 | E241 L248 | E241-P244 WeakPolarHBondContact O-CD 3.18Å; P244-L248 VanDerWaalsContact O-CB 3.3Å; P244-L248 WeakPolarHBondContact O-CB 3.49Å; P244-L248 PolarHBondContact O-N 2.83Å |
| 245 | A | 94.5 | Very high | 90.8 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 26% | 0.256 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.6 | -43.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | F194 D242 L243 L248 L249 | F194-A245 HydrophobicContact CE1-CB 3.74Å; F194-A245 HydrophobicContact CZ-CB 3.72Å; D242-A245 WeakPolarHBondContact O-CB 3.33Å; D242-A245 PolarHBondContact O-N 2.94Å; D242-A245 VanDerWaalsContact O-N 3.08Å; L243-A245 VanDerWaalsContact C-N 3.27Å; L243-A245 PolarHBondContact O-N 2.95Å; A245-L248 PolarHBondContact O-N 3.49Å; A245-L249 WeakPolarHBondContact O-CG 3.43Å; A245-L249 PolarHBondContact O-N 2.85Å |
| 246 | L | 94.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.1 | -62.4 | 179.5 | 0 | 0 | 0 | 111.4 | F189 F194 C228 L231 R232 M235 D242 L243 L248 L249 I250 | F189-L246 HydrophobicContact CZ-CD2 4.35Å; F194-L246 HydrophobicContact CD2-CD2 3.76Å; F194-L246 HydrophobicContact CE2-CD2 4.01Å; F194-L246 HydrophobicContact CG-CD2 4.03Å; F194-L246 HydrophobicContact CZ-CD2 4.47Å; C228-L246 HydrophobicContact CB-CB 4.38Å; C228-L246 HydrophobicContact CB-CD2 3.97Å; L231-L246 HydrophobicContact CB-CD1 4.09Å; R232-L246 HydrophobicContact CB-CD1 4.24Å; M235-L246 HydrophobicContact SD-CD1 3.74Å; D242-L246 WeakPolarHBondContact O-CG 3.27Å; D242-L246 PolarHBondContact O-N 3.25Å; L243-L246 PolarHBondContact O-N 2.68Å; L246-L248 VanDerWaalsContact C-N 3.32Å; L246-L248 PolarHBondContact O-N 3.16Å; L246-L249 PolarHBondContact O-N 3.27Å; L246-I250 VanDerWaalsContact O-CG1 3.3Å; L246-I250 WeakPolarHBondContact O-CG1 3.41Å; L246-I250 PolarHBondContact O-N 2.83Å |
| 247 | N | 94.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -40 | 176.2 | -77.9 | -14.6 | 0 | 0 | 0 | 112.1 | F80 P82 W86 R232 L243 C251 | F80-N247 PolarHBondContact O-ND2 3.09Å; P82-N247 HydrophobicContact CG-CB 4.21Å; W86-N247 HydrophobicContact CH2-CB 4.26Å; W86-N247 HydrophobicContact CZ3-CB 4.46Å; R232-N247 WeakPolarHBondContact CD-OD1 3.49Å; R232-N247 PolarHBondContact NH1-OD1 2.53Å; L243-N247 WeakPolarHBondContact O-CB 3.5Å; L243-N247 PolarHBondContact O-N 2.88Å; N247-C251 WeakPolarHBondContact O-CB 3.48Å; N247-C251 PolarHBondContact O-N 3Å |
| 248 | L | 96.4 | Very high | 92.3 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -48.8 | 177 | 179.1 | 63.1 | 0 | 0 | 0 | 111.3 | W86 Q90 Y203 P244 A245 L246 I250 C251 L252 | W86-L248 HydrophobicContact CH2-CB 4.05Å; W86-L248 HydrophobicContact CH2-CD1 4.32Å; Q90-L248 HydrophobicContact CB-CD1 3.77Å; Q90-L248 HydrophobicContact CG-CD1 3.89Å; Y203-L248 HydrophobicContact CD2-CD2 3.92Å; Y203-L248 HydrophobicContact CD2-CG 4.49Å; Y203-L248 HydrophobicContact CE2-CD2 3.91Å; Y203-L248 HydrophobicContact CE2-CG 4.47Å; P244-L248 VanDerWaalsContact O-CB 3.3Å; P244-L248 WeakPolarHBondContact O-CB 3.49Å; P244-L248 PolarHBondContact O-N 2.83Å; A245-L248 PolarHBondContact O-N 3.49Å; L246-L248 VanDerWaalsContact C-N 3.32Å; L246-L248 PolarHBondContact O-N 3.16Å; L248-I250 PolarHBondContact O-N 3.01Å; L248-C251 WeakPolarHBondContact O-CB 3.2Å; L248-C251 PolarHBondContact O-N 3.43Å; L248-L252 HydrophobicContact CD1-CD1 4.28Å; L248-L252 HydrophobicContact CD1-CG 4.19Å; L248-L252 HydrophobicContact CG-CD1 4.24Å; L248-L252 HydrophobicContact CG-CG 4.49Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.26Å; L248-L252 PolarHBondContact O-N 3.28Å |
| 249 | L | 96.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | -179.6 | -69 | 174.1 | 0 | 0 | 0 | 111.6 | F194 L202 L206 A245 L246 C251 L252 V253 | F194-L249 HydrophobicContact CE2-CD1 3.99Å; F194-L249 HydrophobicContact CZ-CD1 4.42Å; L202-L249 HydrophobicContact CB-CD2 4.19Å; L202-L249 HydrophobicContact CD1-CD1 4.11Å; L206-L249 HydrophobicContact CD1-CD2 3.88Å; A245-L249 WeakPolarHBondContact O-CG 3.43Å; A245-L249 PolarHBondContact O-N 2.85Å; L246-L249 PolarHBondContact O-N 3.27Å; L249-C251 VanDerWaalsContact C-N 3.34Å; L249-C251 PolarHBondContact O-N 3.12Å; L249-L252 PolarHBondContact O-N 3.08Å; L249-V253 WeakPolarHBondContact O-CG2 3.48Å; L249-V253 PolarHBondContact O-N 2.89Å |
| 250 | I | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -46.9 | 175.4 | -64.8 | 165.3 | 0 | 0 | 0 | 110.4 | C228 A229 L246 L248 L252 V253 A254 | C228-I250 HydrophobicContact CB-CD1 3.86Å; C228-I250 HydrophobicContact CB-CG1 3.68Å; A229-I250 HydrophobicContact CB-CD1 4.07Å; L246-I250 VanDerWaalsContact O-CG1 3.3Å; L246-I250 WeakPolarHBondContact O-CG1 3.41Å; L246-I250 PolarHBondContact O-N 2.83Å; L248-I250 PolarHBondContact O-N 3.01Å; I250-L252 PolarHBondContact O-N 3.06Å; I250-V253 PolarHBondContact O-N 3.33Å; I250-A254 VanDerWaalsContact O-CB 3.28Å; I250-A254 WeakPolarHBondContact O-CB 3.13Å; I250-A254 PolarHBondContact O-N 3.48Å |
| 251 | C | 96.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 179.3 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | W86 Q87 N247 L248 L249 A254 R255 | W86-C251 HydrophobicContact CZ3-CB 4.27Å; Q87-C251 VanDerWaalsContact CA-SG 3.55Å; Q87-C251 VanDerWaalsContact CB-SG 3.54Å; N247-C251 WeakPolarHBondContact O-CB 3.48Å; N247-C251 PolarHBondContact O-N 3Å; L248-C251 WeakPolarHBondContact O-CB 3.2Å; L248-C251 PolarHBondContact O-N 3.43Å; L249-C251 VanDerWaalsContact C-N 3.34Å; L249-C251 PolarHBondContact O-N 3.12Å; C251-A254 PolarHBondContact O-N 3.03Å; C251-R255 VanDerWaalsContact O-CB 3.3Å; C251-R255 WeakPolarHBondContact O-CB 3.36Å; C251-R255 PolarHBondContact O-N 2.67Å |
| 252 | L | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -65 | -46 | 179.1 | -66.5 | 179.3 | 0 | 0 | 0 | 111.4 | F94 Y203 L248 L249 I250 A254 Y256 F257 | F94-L252 HydrophobicContact CB-CD2 3.58Å; F94-L252 HydrophobicContact CD1-CD2 3.82Å; F94-L252 HydrophobicContact CD2-CD1 3.72Å; F94-L252 HydrophobicContact CD2-CD2 4Å; F94-L252 HydrophobicContact CE1-CD2 4.45Å; F94-L252 HydrophobicContact CE2-CD1 3.78Å; F94-L252 HydrophobicContact CG-CD1 4.14Å; F94-L252 HydrophobicContact CG-CD2 3.53Å; F94-L252 HydrophobicContact CG-CG 4.46Å; F94-L252 HydrophobicContact CZ-CD1 4.23Å; Y203-L252 HydrophobicContact CD2-CD1 3.73Å; Y203-L252 HydrophobicContact CE2-CD1 3.69Å; L248-L252 HydrophobicContact CD1-CD1 4.28Å; L248-L252 HydrophobicContact CD1-CG 4.19Å; L248-L252 HydrophobicContact CG-CD1 4.24Å; L248-L252 HydrophobicContact CG-CG 4.49Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.26Å; L248-L252 PolarHBondContact O-N 3.28Å; L249-L252 PolarHBondContact O-N 3.08Å; I250-L252 PolarHBondContact O-N 3.06Å; L252-A254 PolarHBondContact O-N 3.23Å; L252-Y256 CarbonylContact O-C 3.59Å; L252-Y256 WeakPolarHBondContact O-CA 3.42Å; L252-Y256 WeakPolarHBondContact O-CB 3.44Å; L252-Y256 PolarHBondContact O-N 2.71Å; L252-F257 WeakPolarHBondContact O-CD2 3.25Å; L252-F257 PolarHBondContact O-N 3.22Å |
| 253 | V | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -59.9 | -48.3 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | I221 A225 L249 I250 F257 Q259 L262 | I221-V253 HydrophobicContact CB-CG1 4.25Å; I221-V253 HydrophobicContact CB-CG2 3.98Å; I221-V253 HydrophobicContact CD1-CG1 4.29Å; I221-V253 HydrophobicContact CG1-CG1 4.04Å; I221-V253 WeakPolarHBondContact O-CG1 3.36Å; A225-V253 HydrophobicContact CB-CB 4Å; A225-V253 HydrophobicContact CB-CG1 3.86Å; A225-V253 HydrophobicContact CB-CG2 4.27Å; L249-V253 WeakPolarHBondContact O-CG2 3.48Å; L249-V253 PolarHBondContact O-N 2.89Å; I250-V253 PolarHBondContact O-N 3.33Å; V253-F257 CarbonylContact O-C 3.52Å; V253-F257 WeakPolarHBondContact O-CB 3.46Å; V253-Q259 HydrophobicContact CG1-CB 4.11Å; V253-Q259 HydrophobicContact CG1-CG 4.02Å; V253-Q259 WeakPolarHBondContact O-CB 3.27Å; V253-Q259 PolarHBondContact O-N 3.18Å; V253-L262 HydrophobicContact CG1-CD1 4.35Å |
| 254 | A | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -74.3 | -42.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I250 C251 L252 E258 Q259 V260 L262 A263 | I250-A254 VanDerWaalsContact O-CB 3.28Å; I250-A254 WeakPolarHBondContact O-CB 3.13Å; I250-A254 PolarHBondContact O-N 3.48Å; C251-A254 PolarHBondContact O-N 3.03Å; L252-A254 PolarHBondContact O-N 3.23Å; A254-E258 CarbonylContact O-C 3.23Å; A254-Q259 VanDerWaalsContact CA-O 3.26Å; A254-Q259 WeakPolarHBondContact CA-O 3.48Å; A254-Q259 WeakPolarHBondContact CB-O 3.2Å; A254-Q259 CarbonylContact O-C 3.53Å; A254-Q259 VanDerWaalsContact O-C 3.23Å; A254-Q259 PolarHBondContact O-N 3.43Å; A254-V260 PolarHBondContact O-N 3.16Å; A254-L262 HydrophobicContact CB-CB 4.34Å; A254-A263 VanDerWaalsContact CB-CA 3.43Å; A254-A263 HydrophobicContact CB-CB 3.74Å |
| 255 | R | 94.4 | Very high | 93.5 | Very high | 91 Ų | 91 | 35.8 Ų | 35.8 | 34% | 0.343 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -98.8 | -44.4 | -174.1 | -60.7 | -72.6 | -170.6 | 173.4 | -5 | 112.6 | V91 C251 | V91-R255 HydrophobicContact CG2-CB 3.58Å; V91-R255 HydrophobicContact CG2-CG 4.45Å; C251-R255 VanDerWaalsContact O-CB 3.3Å; C251-R255 WeakPolarHBondContact O-CB 3.36Å; C251-R255 PolarHBondContact O-N 2.67Å |
| 256 | Y | 95.2 | Very high | 92.6 | Very high | 31 Ų | 31 | 36.7 Ų | 36.7 | 12% | 0.122 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -80.6 | -39.6 | -175.8 | -172.6 | -86.5 | 0 | 0 | 0 | 112.3 | V91 F94 R98 K211 L252 E258 | V91-Y256 HydrophobicContact CG1-CD2 3.96Å; F94-Y256 AromaticContact CD1-CD1 3.59Å; F94-Y256 HydrophobicContact CD1-CD1 3.59Å; F94-Y256 AromaticContact CD1-CD2 3.62Å; F94-Y256 HydrophobicContact CD1-CD2 3.62Å; F94-Y256 AromaticContact CD1-CE1 3.7Å; F94-Y256 HydrophobicContact CD1-CE1 3.7Å; F94-Y256 AromaticContact CD1-CE2 3.73Å; F94-Y256 HydrophobicContact CD1-CE2 3.73Å; F94-Y256 AromaticContact CD1-CG 3.56Å; F94-Y256 HydrophobicContact CD1-CG 3.56Å; F94-Y256 AromaticContact CD1-CZ 3.79Å; F94-Y256 AromaticContact CE1-CD1 3.44Å; F94-Y256 HydrophobicContact CE1-CD1 3.44Å; F94-Y256 VanDerWaalsContact CE1-CD1 3.44Å; F94-Y256 HydrophobicContact CE1-CD2 4.34Å; F94-Y256 AromaticContact CE1-CE1 3.49Å; F94-Y256 HydrophobicContact CE1-CE1 3.49Å; F94-Y256 VanDerWaalsContact CE1-CE1 3.49Å; F94-Y256 HydrophobicContact CE1-CE2 4.39Å; F94-Y256 AromaticContact CE1-CG 3.9Å; F94-Y256 HydrophobicContact CE1-CG 3.9Å; R98-Y256 WeakPolarHBondContact CD-OH 3.23Å; R98-Y256 PolarHBondContact NH1-OH 3.45Å; K211-Y256 PolarHBondContact NZ-O 3.45Å; L252-Y256 CarbonylContact O-C 3.59Å; L252-Y256 WeakPolarHBondContact O-CA 3.42Å; L252-Y256 WeakPolarHBondContact O-CB 3.44Å; L252-Y256 PolarHBondContact O-N 2.71Å; Y256-E258 VanDerWaalsContact C-N 3.31Å |
| 257 | F | 95.1 | Very high | 91 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -95.2 | 17 | 173.8 | -61.9 | -79.1 | 0 | 0 | 0 | 113.4 | F94 L206 L209 L213 I221 L252 V253 Q259 | F94-F257 HydrophobicContact CE1-CE2 4.11Å; F94-F257 HydrophobicContact CE1-CZ 4.15Å; F94-F257 HydrophobicContact CZ-CE2 4.37Å; F94-F257 HydrophobicContact CZ-CZ 4.4Å; L206-F257 HydrophobicContact CB-CE2 4.2Å; L206-F257 HydrophobicContact CB-CZ 4.32Å; L206-F257 HydrophobicContact CD2-CD2 4.5Å; L206-F257 HydrophobicContact CD2-CE2 3.78Å; L206-F257 HydrophobicContact CD2-CZ 4.14Å; L206-F257 HydrophobicContact CG-CE2 4.46Å; L209-F257 HydrophobicContact CD2-CE1 4.25Å; L213-F257 HydrophobicContact CD1-CD1 3.77Å; L213-F257 HydrophobicContact CD1-CE1 3.97Å; L213-F257 HydrophobicContact CD2-CD1 3.72Å; L213-F257 HydrophobicContact CD2-CE1 4.21Å; L213-F257 HydrophobicContact CD2-CG 4.47Å; L213-F257 HydrophobicContact CG-CD1 4.42Å; I221-F257 HydrophobicContact CD1-CB 3.57Å; I221-F257 HydrophobicContact CD1-CD1 4.34Å; I221-F257 HydrophobicContact CD1-CD2 4.22Å; I221-F257 HydrophobicContact CD1-CG 3.81Å; L252-F257 WeakPolarHBondContact O-CD2 3.25Å; L252-F257 PolarHBondContact O-N 3.22Å; V253-F257 CarbonylContact O-C 3.52Å; V253-F257 WeakPolarHBondContact O-CB 3.46Å; F257-Q259 PolarHBondContact O-N 2.89Å; F257-Q259 VanDerWaalsContact O-N 3.14Å; F257-Q259 PolarHBondContact O-NE2 2.6Å |
| 258 | E | 92.9 | Very high | 90.8 | Very high | 133 Ų | 133 | 51.3 Ų | 51.3 | 62% | 0.621 | 25% | 0.253 | S | S | * | . | trans | 62.6 | 22.4 | 167.1 | -60.8 | 156.4 | -134.4 | 0 | 0 | 114.4 | K211 A254 Y256 V260 | K211-E258 IonicContact NZ-OE1 3.77Å; K211-E258 PolarHBondContact NZ-OE1 2.97Å; A254-E258 CarbonylContact O-C 3.23Å; Y256-E258 VanDerWaalsContact C-N 3.31Å; E258-V260 PolarHBondContact O-N 2.98Å; E258-V260 VanDerWaalsContact O-N 3.09Å | ||
| 259 | Q | 93 | Very high | 90.5 | Very high | 27 Ų | 27 | 52 Ų | 52 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | trans | -85.5 | 58.3 | 173.3 | -53.7 | -53.7 | -64.9 | 0 | 0 | 111.5 | H218 R222 V253 A254 F257 D261 L262 | H218-Q259 PolarHBondContact CE1-NE2 2.95Å; H218-Q259 VanDerWaalsContact CE1-NE2 3.28Å; H218-Q259 PolarHBondContact ND1-NE2 3.36Å; R222-Q259 VanDerWaalsContact CD-OE1 3.23Å; R222-Q259 HydrophobicContact CG-CB 4.46Å; R222-Q259 HydrophobicContact CG-CG 3.94Å; V253-Q259 HydrophobicContact CG1-CB 4.11Å; V253-Q259 HydrophobicContact CG1-CG 4.02Å; V253-Q259 WeakPolarHBondContact O-CB 3.27Å; V253-Q259 PolarHBondContact O-N 3.18Å; A254-Q259 VanDerWaalsContact CA-O 3.26Å; A254-Q259 WeakPolarHBondContact CA-O 3.48Å; A254-Q259 WeakPolarHBondContact CB-O 3.2Å; A254-Q259 CarbonylContact O-C 3.53Å; A254-Q259 VanDerWaalsContact O-C 3.23Å; A254-Q259 PolarHBondContact O-N 3.43Å; F257-Q259 PolarHBondContact O-N 2.89Å; F257-Q259 VanDerWaalsContact O-N 3.14Å; F257-Q259 PolarHBondContact O-NE2 2.6Å; Q259-D261 PolarHBondContact O-N 3.03Å; Q259-D261 VanDerWaalsContact O-N 3.11Å; Q259-L262 HydrophobicContact CB-CD1 4.11Å; Q259-L262 HydrophobicContact CB-CG 4.5Å; Q259-L262 WeakPolarHBondContact O-CB 3.06Å; Q259-L262 PolarHBondContact O-N 3.42Å | ||
| 260 | V | 91.8 | Very high | 90.2 | Very high | 86 Ų | 86 | 54.7 Ų | 54.7 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -62.7 | -24.3 | -167.1 | -176 | 0 | 0 | 0 | 0 | 113 | A254 E258 L262 A263 | A254-V260 PolarHBondContact O-N 3.16Å; E258-V260 PolarHBondContact O-N 2.98Å; E258-V260 VanDerWaalsContact O-N 3.09Å; V260-L262 PolarHBondContact O-N 3.13Å; V260-A263 VanDerWaalsContact O-CB 3.25Å; V260-A263 WeakPolarHBondContact O-CB 3.42Å; V260-A263 PolarHBondContact O-N 3.07Å; V260-A263 VanDerWaalsContact O-N 3.07Å |
| 261 | D | 91.6 | Very high | 89.9 | Confident | 103 Ų | 103 | 57.9 Ų | 57.9 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -63.4 | -18.4 | 174.4 | 67.7 | -56.1 | 0 | 0 | 0 | 113.6 | R222 Q259 | R222-D261 IonicContact CZ-OD1 3.53Å; R222-D261 IonicContact CZ-OD2 3.79Å; R222-D261 VanDerWaalsContact NH1-CG 3.35Å; R222-D261 IonicContact NH1-OD1 3.47Å; R222-D261 PolarHBondContact NH1-OD1 2.94Å; R222-D261 IonicContact NH1-OD2 2.7Å; R222-D261 PolarHBondContact NH1-OD2 2.79Å; R222-D261 VanDerWaalsContact NH1-OD2 3.11Å; R222-D261 IonicContact NH2-OD1 2.71Å; R222-D261 IonicContact NH2-OD2 3.7Å; R222-D261 PolarHBondContact NH2-OD2 3.01Å; Q259-D261 PolarHBondContact O-N 3.03Å; Q259-D261 VanDerWaalsContact O-N 3.11Å |
| 262 | L | 91.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -99.3 | 1.6 | 176.4 | -57.6 | 176.8 | 0 | 0 | 0 | 113.1 | C73 R222 A225 V253 A254 Q259 V260 | C73-L262 HydrophobicContact CB-CB 4.48Å; C73-L262 HydrophobicContact CB-CD2 4.23Å; R222-L262 HydrophobicContact CB-CD1 3.83Å; R222-L262 HydrophobicContact CG-CD1 3.67Å; A225-L262 HydrophobicContact CB-CD1 4.24Å; V253-L262 HydrophobicContact CG1-CD1 4.35Å; A254-L262 HydrophobicContact CB-CB 4.34Å; Q259-L262 HydrophobicContact CB-CD1 4.11Å; Q259-L262 HydrophobicContact CB-CG 4.5Å; Q259-L262 WeakPolarHBondContact O-CB 3.06Å; Q259-L262 PolarHBondContact O-N 3.42Å; V260-L262 PolarHBondContact O-N 3.13Å |
| 263 | A | 89.9 | Confident | 89 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | trans | -71.8 | 138.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A254 V260 Q265 | A254-A263 VanDerWaalsContact CB-CA 3.43Å; A254-A263 HydrophobicContact CB-CB 3.74Å; V260-A263 VanDerWaalsContact O-CB 3.25Å; V260-A263 WeakPolarHBondContact O-CB 3.42Å; V260-A263 PolarHBondContact O-N 3.07Å; V260-A263 VanDerWaalsContact O-N 3.07Å; A263-Q265 PolarHBondContact O-N 2.93Å | ||
| 264 | D | 88.8 | Confident | 88.5 | Confident | 11 Ų | 11 | 70.1 Ų | 70.1 | 6% | 0.059 | 35% | 0.345 | C | S | . | . | trans | -67.2 | 121.1 | 166.7 | -68.6 | -44.7 | 0 | 0 | 0 | 109.9 | Q87 R232 P266 | Q87-D264 PolarHBondContact NE2-O 3.37Å; R232-D264 IonicContact CZ-OD1 3.11Å; R232-D264 IonicContact CZ-OD2 2.71Å; R232-D264 VanDerWaalsContact NH1-CG 3.33Å; R232-D264 IonicContact NH1-OD1 2.84Å; R232-D264 PolarHBondContact NH1-OD1 3.23Å; R232-D264 IonicContact NH1-OD2 2.68Å; R232-D264 PolarHBondContact NH1-OD2 2.81Å; R232-D264 IonicContact NH2-OD1 3.35Å; R232-D264 PolarHBondContact NH2-OD1 3.23Å; R232-D264 IonicContact NH2-OD2 3.35Å; D264-P266 WeakPolarHBondContact O-CD 3.16Å | ||
| 265 | Q | 83.8 | Confident | 88 | Confident | 162 Ų | 162 | 75.5 Ų | 75.5 | 76% | 0.757 | 37% | 0.371 | S | S | * | . | trans | -96.6 | 107.2 | 173.3 | -63.2 | -174.4 | 1.4 | 0 | 0 | 107.8 | A263 | A263-Q265 PolarHBondContact O-N 2.93Š| ||
| 266 | P | 75.9 | Confident | 87.4 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | trans | -65.7 | 134.3 | 169.7 | 27.3 | -31 | 0 | 0 | 0 | 108.7 | L84 D264 | L84-P266 HydrophobicContact CB-CG 4.05Å; D264-P266 WeakPolarHBondContact O-CD 3.16Å | ||
| 267 | E | 59.8 | Low | 86.7 | Confident | 269 Ų | 269 | 78.2 Ų | 78.2 | 100% | 1.257 | 40% | 0.396 | S | S | * | . | trans | -63.4 | 0 | 170 | -67.9 | -174.9 | 166.9 | 0 | 0 | 112 |
Retrieved 267 of 267 residues in 242.9 ms
(Link to these results)