| 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 | 33.5 | Very low | 59.1 | Low | 257 Ų | 257 | 127.4 Ų | 127.4 | 100% | 1.266 | 69% | 0.685 | S | S | * | * | 0 | 89.8 | 0 | -73.6 | -178.5 | 172.1 | 0 | 0 | 108.3 | |||||
| 2 | G | 38.5 | Very low | 61.2 | Low | 67 Ų | 67 | 122 Ų | 122 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | trans | -118.3 | 118.6 | 173 | 0 | 0 | 0 | 0 | 0 | 108.1 | H4 | G2-H4 PolarHBondContact O-N 3.06Š| ||
| 3 | K | 35.7 | Very low | 63.1 | Low | 210 Ų | 210 | 113.5 Ų | 113.5 | 91% | 0.913 | 61% | 0.614 | S | S | * | * | trans | -65.9 | 105.5 | 172.8 | -78.2 | 176.6 | 175 | 175.5 | 0 | 107.2 | N5 | K3-N5 PolarHBondContact O-N 3.2Š| ||
| 4 | H | 45.6 | Very low | 64.8 | Low | 136 Ų | 136 | 111.5 Ų | 111.5 | 63% | 0.63 | 60% | 0.603 | S | S | * | * | trans | -60.9 | 107.2 | 165 | -85.1 | -92.8 | 0 | 0 | 0 | 107.2 | G2 S6 | G2-H4 PolarHBondContact O-N 3.06Å; H4-S6 PolarHBondContact O-N 2.99Å; H4-S6 PolarHBondContact O-OG 2.9Å | ||
| 5 | N | 47.8 | Very low | 66.4 | Low | 125 Ų | 125 | 108.3 Ų | 108.3 | 67% | 0.668 | 59% | 0.585 | S | S | * | * | trans | -69.2 | 97.5 | -176.8 | -149.6 | 15.2 | 0 | 0 | 0 | 107.5 | K3 K7 | K3-N5 PolarHBondContact O-N 3.2Å; N5-K7 PolarHBondContact O-N 3.11Å | ||
| 6 | S | 57.7 | Low | 67.8 | Low | 97 Ų | 97 | 101.6 Ų | 101.6 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | trans | -72.4 | 12.1 | -172.3 | -27.7 | 0 | 0 | 0 | 0 | 113.4 | H4 | H4-S6 PolarHBondContact O-N 2.99Å; H4-S6 PolarHBondContact O-OG 2.9Å | ||
| 7 | K | 67.2 | Low | 69 | Low | 166 Ų | 166 | 99.1 Ų | 99.1 | 72% | 0.722 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -133.7 | 130.8 | -176.8 | -65.8 | -176.8 | 179.5 | -179.4 | 0 | 108.3 | N5 | N5-K7 PolarHBondContact O-N 3.11Š|
| 8 | L | 75.7 | Confident | 70 | Confident | 24 Ų | 24 | 102.1 Ų | 102.1 | 13% | 0.126 | 55% | 0.545 | C | S | . | . | trans | -58.9 | 137.1 | 168.7 | -73.5 | 161.7 | 0 | 0 | 0 | 109.3 | V12 L13 L16 Y31 F82 | L8-V12 HydrophobicContact CD2-CG1 3.99Å; L8-L13 HydrophobicContact CB-CD1 3.97Å; L8-L13 HydrophobicContact CB-CD2 4.03Å; L8-L13 HydrophobicContact CB-CG 3.65Å; L8-L13 HydrophobicContact CD1-CD2 3.55Å; L8-L13 HydrophobicContact CD1-CG 4.13Å; L8-L13 HydrophobicContact CG-CD2 4.44Å; L8-L16 HydrophobicContact CD1-CD1 4.49Å; L8-L16 HydrophobicContact CD2-CD1 4.47Å; L8-Y31 HydrophobicContact CD1-CD1 4.16Å; L8-Y31 HydrophobicContact CD1-CD2 4.11Å; L8-Y31 HydrophobicContact CD1-CG 3.73Å; L8-Y31 HydrophobicContact CD2-CD1 4.34Å; L8-Y31 HydrophobicContact CD2-CD2 3.68Å; L8-Y31 HydrophobicContact CD2-CE1 4.28Å; L8-Y31 HydrophobicContact CD2-CE2 3.62Å; L8-Y31 HydrophobicContact CD2-CG 4.03Å; L8-Y31 HydrophobicContact CG-CD1 3.65Å; L8-Y31 HydrophobicContact CG-CD2 3.8Å; L8-Y31 HydrophobicContact CG-CE1 3.88Å; L8-Y31 HydrophobicContact CG-CE2 4.03Å; L8-Y31 HydrophobicContact CG-CG 3.59Å; L8-F82 HydrophobicContact CD1-CD1 4.39Å; L8-F82 HydrophobicContact CD1-CE1 3.77Å; L8-F82 HydrophobicContact CD1-CZ 4.49Å; L8-F82 HydrophobicContact CD2-CD1 3.93Å; L8-F82 HydrophobicContact CD2-CE1 4.15Å | ||
| 9 | A | 82.4 | Confident | 70.7 | Confident | 43 Ų | 43 | 99.6 Ų | 99.6 | 36% | 0.355 | 54% | 0.537 | S | S | . | . | trans | -62.3 | 144.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | E11 V12 L13 | A9-E11 PolarHBondContact O-N 2.76Å; A9-V12 HydrophobicContact CB-CB 4.46Å; A9-V12 HydrophobicContact CB-CG2 4.09Å; A9-V12 PolarHBondContact O-N 3.43Å; A9-L13 PolarHBondContact O-N 2.98Å | ||
| 10 | P | 81.7 | Confident | 71.6 | Confident | 110 Ų | 110 | 95 Ų | 95 | 71% | 0.714 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -55.6 | -37 | -179.9 | -25.1 | 33.7 | 0 | 0 | 0 | 113.3 | L13 D14 | P10-L13 PolarHBondContact O-N 2.79Å; P10-D14 PolarHBondContact O-N 3.47Å |
| 11 | E | 84.1 | Confident | 72.3 | Confident | 166 Ų | 166 | 96.2 Ų | 96.2 | 78% | 0.776 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 177.3 | -64 | 175 | -178 | 0 | 0 | 112.2 | A9 D14 D15 | A9-E11 PolarHBondContact O-N 2.76Å; E11-D14 PolarHBondContact O-N 3.14Å; E11-D15 PolarHBondContact O-N 2.92Å |
| 12 | V | 84.6 | Confident | 74.9 | Confident | 63 Ų | 63 | 84.5 Ų | 84.5 | 38% | 0.382 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.6 | -38.4 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | L8 A9 D14 D15 L16 | L8-V12 HydrophobicContact CD2-CG1 3.99Å; A9-V12 HydrophobicContact CB-CB 4.46Å; A9-V12 HydrophobicContact CB-CG2 4.09Å; A9-V12 PolarHBondContact O-N 3.43Å; V12-D14 VanDerWaalsContact C-N 3.34Å; V12-D15 PolarHBondContact O-N 2.95Å; V12-L16 HydrophobicContact CG1-CD1 3.87Å; V12-L16 HydrophobicContact CG1-CG 4.17Å; V12-L16 WeakPolarHBondContact O-CB 3.48Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 3.22Å |
| 13 | L | 85.9 | Confident | 77.3 | Confident | 12 Ų | 12 | 85.2 Ų | 85.2 | 6% | 0.063 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 174.6 | -80.4 | 165 | 0 | 0 | 0 | 112.1 | L8 A9 P10 L16 T17 E24 L27 K28 | L8-L13 HydrophobicContact CB-CD1 3.97Å; L8-L13 HydrophobicContact CB-CD2 4.03Å; L8-L13 HydrophobicContact CB-CG 3.65Å; L8-L13 HydrophobicContact CD1-CD2 3.55Å; L8-L13 HydrophobicContact CD1-CG 4.13Å; L8-L13 HydrophobicContact CG-CD2 4.44Å; A9-L13 PolarHBondContact O-N 2.98Å; P10-L13 PolarHBondContact O-N 2.79Å; L13-L16 PolarHBondContact O-N 3.37Å; L13-T17 WeakPolarHBondContact O-CB 3.38Å; L13-T17 PolarHBondContact O-N 3.21Å; L13-T17 PolarHBondContact O-OG1 2.93Å; L13-E24 HydrophobicContact CB-CG 4.5Å; L13-E24 HydrophobicContact CD1-CG 4.24Å; L13-E24 HydrophobicContact CD2-CG 4.05Å; L13-E24 HydrophobicContact CG-CG 4.5Å; L13-L27 HydrophobicContact CD2-CB 4.01Å; L13-L27 HydrophobicContact CD2-CD1 4.35Å; L13-K28 HydrophobicContact CD2-CG 4.31Å |
| 14 | D | 87.3 | Confident | 79.8 | Confident | 85 Ų | 85 | 79.7 Ų | 79.7 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 176.8 | -174.9 | 64.9 | 0 | 0 | 0 | 111.5 | P10 E11 V12 T17 K18 | P10-D14 PolarHBondContact O-N 3.47Å; E11-D14 PolarHBondContact O-N 3.14Å; V12-D14 VanDerWaalsContact C-N 3.34Å; D14-T17 PolarHBondContact O-N 2.99Å; D14-K18 WeakPolarHBondContact O-CG 3.32Å; D14-K18 PolarHBondContact O-N 2.62Å; D14-K18 IonicContact OD1-NZ 3.57Å; D14-K18 WeakPolarHBondContact OD2-CE 3.32Å; D14-K18 IonicContact OD2-NZ 3.11Å; D14-K18 PolarHBondContact OD2-NZ 2.97Å |
| 15 | D | 88.9 | Confident | 81.9 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 34% | 0.342 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 173.8 | -178.1 | 65 | 0 | 0 | 0 | 112.1 | E11 V12 T17 K18 S19 R83 | E11-D15 PolarHBondContact O-N 2.92Å; V12-D15 PolarHBondContact O-N 2.95Å; D15-T17 PolarHBondContact O-N 3.36Å; D15-K18 PolarHBondContact O-N 3.41Å; D15-S19 VanDerWaalsContact O-CB 3.31Å; D15-S19 WeakPolarHBondContact O-CB 3.34Å; D15-S19 PolarHBondContact O-N 2.82Å; D15-S19 PolarHBondContact O-OG 3.49Å; D15-R83 IonicContact OD2-CZ 2.57Å; D15-R83 IonicContact OD2-NE 3Å; D15-R83 PolarHBondContact OD2-NE 3.34Å; D15-R83 IonicContact OD2-NH2 3.54Å; D15-R83 PolarHBondContact OD2-NH2 2.88Å |
| 16 | L | 88.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.7 | -36.7 | -178.8 | -71.2 | 177.6 | 0 | 0 | 0 | 112.2 | L8 V12 L13 K18 S19 T20 L27 F82 R83 I86 | L8-L16 HydrophobicContact CD1-CD1 4.49Å; L8-L16 HydrophobicContact CD2-CD1 4.47Å; V12-L16 HydrophobicContact CG1-CD1 3.87Å; V12-L16 HydrophobicContact CG1-CG 4.17Å; V12-L16 WeakPolarHBondContact O-CB 3.48Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 3.22Å; L13-L16 PolarHBondContact O-N 3.37Å; L16-K18 PolarHBondContact O-N 2.95Å; L16-S19 PolarHBondContact O-N 2.87Å; L16-T20 WeakPolarHBondContact O-CB 3.45Å; L16-T20 WeakPolarHBondContact O-CG2 3.32Å; L16-T20 PolarHBondContact O-N 2.8Å; L16-T20 PolarHBondContact O-OG1 3.06Å; L16-L27 HydrophobicContact CB-CD1 3.75Å; L16-L27 HydrophobicContact CB-CD2 4.32Å; L16-F82 HydrophobicContact CD1-CD1 4.07Å; L16-F82 HydrophobicContact CD1-CE1 3.8Å; L16-R83 HydrophobicContact CD2-CB 4.05Å; L16-R83 HydrophobicContact CD2-CG 3.72Å; L16-I86 HydrophobicContact CD1-CG2 4.35Å; L16-I86 HydrophobicContact CD2-CG2 3.71Å |
| 17 | T | 88.1 | Confident | 85.4 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 37% | 0.368 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.4 | -28.4 | 176.5 | -52 | 0 | 0 | 0 | 0 | 111.4 | L13 D14 D15 | L13-T17 WeakPolarHBondContact O-CB 3.38Å; L13-T17 PolarHBondContact O-N 3.21Å; L13-T17 PolarHBondContact O-OG1 2.93Å; D14-T17 PolarHBondContact O-N 2.99Å; D15-T17 PolarHBondContact O-N 3.36Å |
| 18 | K | 87.5 | Confident | 86.3 | Confident | 152 Ų | 152 | 65.4 Ų | 65.4 | 66% | 0.661 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -82.1 | -29.4 | 174.1 | -70.1 | 168.2 | -179.3 | 166.4 | 0 | 113.2 | D14 D15 L16 | D14-K18 WeakPolarHBondContact O-CG 3.32Å; D14-K18 PolarHBondContact O-N 2.62Å; D14-K18 IonicContact OD1-NZ 3.57Å; D14-K18 WeakPolarHBondContact OD2-CE 3.32Å; D14-K18 IonicContact OD2-NZ 3.11Å; D14-K18 PolarHBondContact OD2-NZ 2.97Å; D15-K18 PolarHBondContact O-N 3.41Å; L16-K18 PolarHBondContact O-N 2.95Å |
| 19 | S | 83.5 | Confident | 87 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -93.6 | -6.8 | -175.8 | -57.6 | 0 | 0 | 0 | 0 | 113.5 | D15 L16 | D15-S19 VanDerWaalsContact O-CB 3.31Å; D15-S19 WeakPolarHBondContact O-CB 3.34Å; D15-S19 PolarHBondContact O-N 2.82Å; D15-S19 PolarHBondContact O-OG 3.49Å; L16-S19 PolarHBondContact O-N 2.87Å |
| 20 | T | 88.1 | Confident | 87.3 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 5% | 0.049 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -137.6 | 162.4 | -177.2 | 72.1 | 0 | 0 | 0 | 0 | 111.6 | L16 F22 I86 S90 | L16-T20 WeakPolarHBondContact O-CB 3.45Å; L16-T20 WeakPolarHBondContact O-CG2 3.32Å; L16-T20 PolarHBondContact O-N 2.8Å; L16-T20 PolarHBondContact O-OG1 3.06Å; T20-F22 PolarHBondContact O-N 3.02Å; T20-F22 PolarHBondContact OG1-N 3.27Å; T20-I86 HydrophobicContact CG2-CG2 4.29Å; T20-S90 WeakPolarHBondContact CA-OG 3.36Å |
| 21 | E | 86.3 | Confident | 87.6 | Confident | 120 Ų | 120 | 71.3 Ų | 71.3 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -87.8 | 19.5 | 175.3 | -61.2 | -62.3 | 142.6 | 0 | 0 | 112 | S90 R94 | E21-S90 PolarHBondContact N-OG 3.18Å; E21-R94 HydrophobicContact CB-CB 3.65Å; E21-R94 HydrophobicContact CB-CG 4.36Å; E21-R94 HydrophobicContact CG-CB 4Å; E21-R94 PolarHBondContact O-NH1 2.93Å |
| 22 | F | 87.7 | Confident | 87.7 | Confident | 11 Ų | 11 | 71.2 Ų | 71.2 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | trans | -104.1 | 142.3 | 179.1 | -68.1 | -68.8 | 0 | 0 | 0 | 111.2 | T20 E26 L27 W30 I86 L89 | T20-F22 PolarHBondContact O-N 3.02Å; T20-F22 PolarHBondContact OG1-N 3.27Å; F22-E26 HydrophobicContact CB-CB 4.27Å; F22-E26 HydrophobicContact CD1-CB 4.12Å; F22-L27 HydrophobicContact CB-CD2 3.74Å; F22-L27 HydrophobicContact CB-CG 3.92Å; F22-L27 HydrophobicContact CD2-CD2 4.49Å; F22-L27 HydrophobicContact CG-CD2 4.46Å; F22-W30 AromaticContact CE1-NE1 3.97Å; F22-I86 HydrophobicContact CD2-CD1 3.73Å; F22-I86 HydrophobicContact CD2-CG1 3.93Å; F22-I86 HydrophobicContact CE2-CD1 3.67Å; F22-I86 HydrophobicContact CE2-CG1 4.23Å; F22-I86 HydrophobicContact CG-CD1 4.5Å; F22-I86 HydrophobicContact CZ-CD1 4.41Å; F22-L89 HydrophobicContact CE2-CD2 4.45Å; F22-L89 HydrophobicContact CE2-CG 4.33Å; F22-L89 HydrophobicContact CZ-CD2 4.19Å; F22-L89 HydrophobicContact CZ-CG 4.15Å | ||
| 23 | N | 89.4 | Confident | 87.8 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | trans | -83.3 | 166 | 172.9 | 68.1 | 56.4 | 0 | 0 | 0 | 112 | A25 E26 L27 | N23-A25 PolarHBondContact O-N 2.93Å; N23-A25 VanDerWaalsContact O-N 3.15Å; N23-A25 WeakPolarHBondContact OD1-CB 3.46Å; N23-A25 PolarHBondContact OD1-N 2.91Å; N23-E26 PolarHBondContact N-OE2 3.35Å; N23-E26 VanDerWaalsContact N-OE2 3.08Å; N23-E26 PolarHBondContact ND2-OE2 2.75Å; N23-E26 PolarHBondContact O-N 3.32Å; N23-E26 VanDerWaalsContact O-N 3.1Å; N23-E26 WeakPolarHBondContact OD1-CG 3.42Å; N23-E26 PolarHBondContact OD1-N 3.06Å; N23-L27 WeakPolarHBondContact O-CG 3.33Å; N23-L27 PolarHBondContact O-N 3.33Å | ||
| 24 | E | 88.9 | Confident | 87.8 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.2 | -35.1 | -176.5 | -161.9 | -167.6 | 147.7 | 0 | 0 | 113.7 | L13 K28 | L13-E24 HydrophobicContact CB-CG 4.5Å; L13-E24 HydrophobicContact CD1-CG 4.24Å; L13-E24 HydrophobicContact CD2-CG 4.05Å; L13-E24 HydrophobicContact CG-CG 4.5Å; E24-K28 WeakPolarHBondContact O-CB 3.48Å; E24-K28 VanDerWaalsContact O-CG 3.29Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.35Å; E24-K28 VanDerWaalsContact O-N 3.08Å; E24-K28 VanDerWaalsContact OE1-CE 3.25Å; E24-K28 WeakPolarHBondContact OE1-CE 3.34Å; E24-K28 IonicContact OE1-NZ 2.68Å; E24-K28 PolarHBondContact OE1-NZ 3.21Å |
| 25 | A | 88.8 | Confident | 87.7 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 56% | 0.562 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.8 | -42.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N23 K28 Q29 | N23-A25 PolarHBondContact O-N 2.93Å; N23-A25 VanDerWaalsContact O-N 3.15Å; N23-A25 WeakPolarHBondContact OD1-CB 3.46Å; N23-A25 PolarHBondContact OD1-N 2.91Å; A25-K28 PolarHBondContact O-N 3.01Å; A25-Q29 PolarHBondContact O-N 3.39Å; A25-Q29 VanDerWaalsContact O-N 3.08Å |
| 26 | E | 89.1 | Confident | 87.5 | Confident | 50 Ų | 50 | 72.3 Ų | 72.3 | 23% | 0.234 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 174.6 | -68.2 | 176.8 | 133.1 | 0 | 0 | 111 | F22 N23 K28 Q29 W30 R94 | F22-E26 HydrophobicContact CB-CB 4.27Å; F22-E26 HydrophobicContact CD1-CB 4.12Å; N23-E26 PolarHBondContact N-OE2 3.35Å; N23-E26 VanDerWaalsContact N-OE2 3.08Å; N23-E26 PolarHBondContact ND2-OE2 2.75Å; N23-E26 PolarHBondContact O-N 3.32Å; N23-E26 VanDerWaalsContact O-N 3.1Å; N23-E26 WeakPolarHBondContact OD1-CG 3.42Å; N23-E26 PolarHBondContact OD1-N 3.06Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 3.2Å; E26-Q29 PolarHBondContact O-N 2.93Å; E26-Q29 VanDerWaalsContact O-N 3.1Å; E26-W30 VanDerWaalsContact O-CD1 3.31Å; E26-W30 PolarHBondContact O-N 2.8Å; E26-R94 IonicContact OE1-CZ 2.65Å; E26-R94 IonicContact OE1-NH1 3.68Å; E26-R94 PolarHBondContact OE1-NH1 3.31Å; E26-R94 IonicContact OE1-NH2 3.73Å; E26-R94 PolarHBondContact OE1-NH2 3.13Å; E26-R94 IonicContact OE2-CZ 3.2Å; E26-R94 IonicContact OE2-NH1 3.52Å; E26-R94 PolarHBondContact OE2-NH1 3.42Å; E26-R94 IonicContact OE2-NH2 3.6Å |
| 27 | L | 89.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.4 | -44 | 177.6 | -69.5 | 174.7 | 0 | 0 | 0 | 111.7 | L13 L16 F22 N23 Q29 W30 Y31 I86 | L13-L27 HydrophobicContact CD2-CB 4.01Å; L13-L27 HydrophobicContact CD2-CD1 4.35Å; L16-L27 HydrophobicContact CB-CD1 3.75Å; L16-L27 HydrophobicContact CB-CD2 4.32Å; F22-L27 HydrophobicContact CB-CD2 3.74Å; F22-L27 HydrophobicContact CB-CG 3.92Å; F22-L27 HydrophobicContact CD2-CD2 4.49Å; F22-L27 HydrophobicContact CG-CD2 4.46Å; N23-L27 WeakPolarHBondContact O-CG 3.33Å; N23-L27 PolarHBondContact O-N 3.33Å; L27-Q29 VanDerWaalsContact C-N 3.33Å; L27-Q29 PolarHBondContact O-N 3.05Å; L27-W30 PolarHBondContact O-N 3.39Å; L27-Y31 VanDerWaalsContact O-CB 3.3Å; L27-Y31 WeakPolarHBondContact O-CB 3.3Å; L27-Y31 PolarHBondContact O-N 3.16Å; L27-I86 HydrophobicContact CD2-CD1 4.3Å; L27-I86 HydrophobicContact CD2-CG1 3.52Å; L27-I86 HydrophobicContact CD2-CG2 4.48Å |
| 28 | K | 87.9 | Confident | 86.8 | Confident | 105 Ų | 105 | 75.1 Ų | 75.1 | 46% | 0.457 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 175.3 | -77 | 169.4 | 173.9 | 167.9 | 0 | 112.5 | L13 E24 A25 E26 K32 | L13-K28 HydrophobicContact CD2-CG 4.31Å; E24-K28 WeakPolarHBondContact O-CB 3.48Å; E24-K28 VanDerWaalsContact O-CG 3.29Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.35Å; E24-K28 VanDerWaalsContact O-N 3.08Å; E24-K28 VanDerWaalsContact OE1-CE 3.25Å; E24-K28 WeakPolarHBondContact OE1-CE 3.34Å; E24-K28 IonicContact OE1-NZ 2.68Å; E24-K28 PolarHBondContact OE1-NZ 3.21Å; A25-K28 PolarHBondContact O-N 3.01Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 3.2Å; K28-K32 WeakPolarHBondContact O-CB 3.47Å; K28-K32 PolarHBondContact O-N 2.99Å |
| 29 | Q | 88.8 | Confident | 86.5 | Confident | 152 Ų | 152 | 72.2 Ų | 72.2 | 71% | 0.71 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -68.8 | -46 | 178.4 | -176.8 | 173.2 | -12.1 | 0 | 0 | 111.4 | A25 E26 L27 K32 G33 | A25-Q29 PolarHBondContact O-N 3.39Å; A25-Q29 VanDerWaalsContact O-N 3.08Å; E26-Q29 PolarHBondContact O-N 2.93Å; E26-Q29 VanDerWaalsContact O-N 3.1Å; L27-Q29 VanDerWaalsContact C-N 3.33Å; L27-Q29 PolarHBondContact O-N 3.05Å; Q29-K32 PolarHBondContact O-N 3.4Å; Q29-G33 PolarHBondContact O-N 3.06Å |
| 30 | W | 88.6 | Confident | 86.6 | Confident | 108 Ų | 108 | 72.4 Ų | 72.4 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 174.6 | -83.4 | 113.5 | 0 | 0 | 0 | 111.7 | F22 E26 L27 K32 G33 F34 F82 F85 I86 L89 | F22-W30 AromaticContact CE1-NE1 3.97Å; E26-W30 VanDerWaalsContact O-CD1 3.31Å; E26-W30 PolarHBondContact O-N 2.8Å; L27-W30 PolarHBondContact O-N 3.39Å; W30-K32 VanDerWaalsContact C-N 3.32Å; W30-K32 PolarHBondContact O-N 3.31Å; W30-G33 PolarHBondContact O-N 2.75Å; W30-G33 VanDerWaalsContact O-N 3.16Å; W30-F34 WeakPolarHBondContact O-CB 3.41Å; W30-F34 PolarHBondContact O-N 3.18Å; W30-F82 HydrophobicContact CB-CE2 4.06Å; W30-F82 HydrophobicContact CB-CZ 4.1Å; W30-F85 AromaticContact CE3-CE1 3.93Å; W30-F85 HydrophobicContact CE3-CE1 3.93Å; W30-F85 HydrophobicContact CE3-CZ 4.34Å; W30-F85 HydrophobicContact CZ3-CE1 4.24Å; W30-F85 HydrophobicContact CZ3-CZ 4.19Å; W30-I86 HydrophobicContact CB-CD1 3.94Å; W30-I86 HydrophobicContact CD2-CD1 4.41Å; W30-I86 HydrophobicContact CG-CD1 3.81Å; W30-L89 HydrophobicContact CD2-CD2 4.01Å; W30-L89 HydrophobicContact CE3-CD2 4.16Å; W30-L89 HydrophobicContact CH2-CD2 3.74Å; W30-L89 HydrophobicContact CZ2-CD2 3.56Å; W30-L89 HydrophobicContact CZ3-CD2 4.03Å |
| 31 | Y | 88 | Confident | 86.4 | Confident | 41 Ų | 41 | 73 Ų | 73 | 16% | 0.161 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 177.5 | -172.6 | -115.3 | 0 | 0 | 0 | 112.5 | L8 L27 G33 F34 L35 F82 | L8-Y31 HydrophobicContact CD1-CD1 4.16Å; L8-Y31 HydrophobicContact CD1-CD2 4.11Å; L8-Y31 HydrophobicContact CD1-CG 3.73Å; L8-Y31 HydrophobicContact CD2-CD1 4.34Å; L8-Y31 HydrophobicContact CD2-CD2 3.68Å; L8-Y31 HydrophobicContact CD2-CE1 4.28Å; L8-Y31 HydrophobicContact CD2-CE2 3.62Å; L8-Y31 HydrophobicContact CD2-CG 4.03Å; L8-Y31 HydrophobicContact CG-CD1 3.65Å; L8-Y31 HydrophobicContact CG-CD2 3.8Å; L8-Y31 HydrophobicContact CG-CE1 3.88Å; L8-Y31 HydrophobicContact CG-CE2 4.03Å; L8-Y31 HydrophobicContact CG-CG 3.59Å; L27-Y31 VanDerWaalsContact O-CB 3.3Å; L27-Y31 WeakPolarHBondContact O-CB 3.3Å; L27-Y31 PolarHBondContact O-N 3.16Å; Y31-G33 VanDerWaalsContact C-N 3.34Å; Y31-F34 PolarHBondContact O-N 3.01Å; Y31-L35 HydrophobicContact CD1-CD1 3.96Å; Y31-L35 HydrophobicContact CE1-CD1 3.41Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.41Å; Y31-L35 HydrophobicContact CE1-CG 4.21Å; Y31-L35 HydrophobicContact CE2-CD1 4.28Å; Y31-L35 HydrophobicContact CE2-CG 4.26Å; Y31-L35 PolarHBondContact O-N 2.83Å; Y31-F82 HydrophobicContact CD2-CB 4.08Å; Y31-F82 AromaticContact CD2-CD1 3.51Å; Y31-F82 HydrophobicContact CD2-CD1 3.51Å; Y31-F82 AromaticContact CD2-CD2 3.76Å; Y31-F82 HydrophobicContact CD2-CD2 3.76Å; Y31-F82 AromaticContact CD2-CE1 3.8Å; Y31-F82 HydrophobicContact CD2-CE1 3.8Å; Y31-F82 HydrophobicContact CD2-CE2 4.05Å; Y31-F82 AromaticContact CD2-CG 3.48Å; Y31-F82 HydrophobicContact CD2-CG 3.48Å; Y31-F82 VanDerWaalsContact CD2-CG 3.48Å; Y31-F82 HydrophobicContact CD2-CZ 4.06Å; Y31-F82 HydrophobicContact CE2-CB 4.16Å; Y31-F82 HydrophobicContact CE2-CD1 4.14Å; Y31-F82 HydrophobicContact CE2-CG 4.04Å; Y31-F82 HydrophobicContact CG-CD1 4.42Å; Y31-F82 HydrophobicContact CG-CE1 4.29Å; Y31-F82 HydrophobicContact CG-CZ 4.34Å |
| 32 | K | 87.5 | Confident | 86.5 | Confident | 165 Ų | 165 | 71 Ų | 71 | 72% | 0.717 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 176.3 | -172 | -179.9 | 179 | -176.1 | 0 | 111.9 | K28 Q29 W30 K36 | K28-K32 WeakPolarHBondContact O-CB 3.47Å; K28-K32 PolarHBondContact O-N 2.99Å; Q29-K32 PolarHBondContact O-N 3.4Å; W30-K32 VanDerWaalsContact C-N 3.32Å; W30-K32 PolarHBondContact O-N 3.31Å; K32-K36 WeakPolarHBondContact O-CB 3.36Å; K32-K36 PolarHBondContact O-N 3.05Å |
| 33 | G | 86 | Confident | 86.5 | Confident | 28 Ų | 28 | 70.6 Ų | 70.6 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.2 | -49.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q29 W30 Y31 L35 K36 D37 | Q29-G33 PolarHBondContact O-N 3.06Å; W30-G33 PolarHBondContact O-N 2.75Å; W30-G33 VanDerWaalsContact O-N 3.16Å; Y31-G33 VanDerWaalsContact C-N 3.34Å; G33-L35 PolarHBondContact O-N 2.9Å; G33-K36 WeakPolarHBondContact O-CB 3.32Å; G33-K36 PolarHBondContact O-N 2.87Å; G33-D37 PolarHBondContact O-N 3.02Å |
| 34 | F | 85.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.8 | -47.6 | 178.9 | -171.7 | -93.5 | 0 | 0 | 0 | 112.1 | W30 Y31 K36 D37 C38 L43 F82 F85 | W30-F34 WeakPolarHBondContact O-CB 3.41Å; W30-F34 PolarHBondContact O-N 3.18Å; Y31-F34 PolarHBondContact O-N 3.01Å; F34-K36 VanDerWaalsContact C-N 3.28Å; F34-K36 PolarHBondContact O-N 3Å; F34-D37 PolarHBondContact O-N 3.41Å; F34-C38 HydrophobicContact CE1-CB 4.4Å; F34-C38 WeakPolarHBondContact O-CA 3.42Å; F34-C38 WeakPolarHBondContact O-CB 3.2Å; F34-C38 PolarHBondContact O-N 3.02Å; F34-L43 HydrophobicContact CE2-CB 4.24Å; F34-L43 HydrophobicContact CE2-CD1 4.06Å; F34-L43 HydrophobicContact CZ-CB 3.99Å; F34-F82 HydrophobicContact CB-CD2 3.82Å; F34-F82 HydrophobicContact CB-CE2 4.15Å; F34-F82 HydrophobicContact CD1-CB 4.19Å; F34-F82 HydrophobicContact CD1-CD2 4.05Å; F34-F82 HydrophobicContact CD2-CD2 4.31Å; F34-F82 HydrophobicContact CE1-CB 4.22Å; F34-F82 AromaticContact CG-CD2 3.81Å; F34-F82 HydrophobicContact CG-CD2 3.81Å; F34-F85 HydrophobicContact CD2-CB 4.45Å; F34-F85 AromaticContact CD2-CD1 3.93Å; F34-F85 HydrophobicContact CD2-CD1 3.93Å; F34-F85 HydrophobicContact CD2-CE1 4.34Å; F34-F85 HydrophobicContact CD2-CG 4.05Å; F34-F85 HydrophobicContact CE2-CB 4.03Å; F34-F85 HydrophobicContact CE2-CD1 4.33Å; F34-F85 HydrophobicContact CE2-CD2 4.37Å; F34-F85 AromaticContact CE2-CG 3.98Å; F34-F85 HydrophobicContact CE2-CG 3.98Å |
| 35 | L | 86.4 | Confident | 86.5 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 20% | 0.199 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.5 | -23.4 | 176.2 | -72.2 | -177.7 | 0 | 0 | 0 | 114.2 | Y31 G33 C38 P39 | Y31-L35 HydrophobicContact CD1-CD1 3.96Å; Y31-L35 HydrophobicContact CE1-CD1 3.41Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.41Å; Y31-L35 HydrophobicContact CE1-CG 4.21Å; Y31-L35 HydrophobicContact CE2-CD1 4.28Å; Y31-L35 HydrophobicContact CE2-CG 4.26Å; Y31-L35 PolarHBondContact O-N 2.83Å; G33-L35 PolarHBondContact O-N 2.9Å; L35-C38 CarbonylContact O-C 3.58Å; L35-P39 WeakPolarHBondContact O-CA 3.49Å |
| 36 | K | 85.1 | Confident | 86.4 | Confident | 169 Ų | 169 | 70.6 Ų | 70.6 | 74% | 0.735 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -73 | -41.3 | 176 | -176.4 | -170.5 | 174.2 | -164.2 | 0 | 110.5 | K32 G33 F34 | K32-K36 WeakPolarHBondContact O-CB 3.36Å; K32-K36 PolarHBondContact O-N 3.05Å; G33-K36 WeakPolarHBondContact O-CB 3.32Å; G33-K36 PolarHBondContact O-N 2.87Å; F34-K36 VanDerWaalsContact C-N 3.28Å; F34-K36 PolarHBondContact O-N 3Å |
| 37 | D | 78.6 | Confident | 86.3 | Confident | 113 Ų | 113 | 71.1 Ų | 71.1 | 60% | 0.604 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -86.4 | -29.5 | -178 | -61.9 | -32 | 0 | 0 | 0 | 111.9 | G33 F34 | G33-D37 PolarHBondContact O-N 3.02Å; F34-D37 PolarHBondContact O-N 3.41Å |
| 38 | C | 82.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.034 | 36% | 0.359 | C | S | . | . | trans | -128.2 | 83.3 | 177.7 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | F34 L35 S40 G41 L43 | F34-C38 HydrophobicContact CE1-CB 4.4Å; F34-C38 WeakPolarHBondContact O-CA 3.42Å; F34-C38 WeakPolarHBondContact O-CB 3.2Å; F34-C38 PolarHBondContact O-N 3.02Å; L35-C38 CarbonylContact O-C 3.58Å; C38-S40 PolarHBondContact O-N 2.98Å; C38-S40 VanDerWaalsContact O-N 3.14Å; C38-G41 PolarHBondContact O-N 2.79Å; C38-L43 VanDerWaalsContact SG-CD1 3.52Å | ||
| 39 | P | 82.7 | Confident | 85.9 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 60% | 0.597 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23 | -176.8 | -23.2 | 33.8 | 0 | 0 | 0 | 114.6 | L35 G41 | L35-P39 WeakPolarHBondContact O-CA 3.49Å; P39-G41 PolarHBondContact O-N 3.39Å |
| 40 | S | 84.3 | Confident | 85.6 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26.6 | 173.1 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | C38 I42 | C38-S40 PolarHBondContact O-N 2.98Å; C38-S40 VanDerWaalsContact O-N 3.14Å; S40-I42 PolarHBondContact OG-O 2.76Å |
| 41 | G | 84.2 | Confident | 85.2 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 76.5 | 6.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C38 P39 | C38-G41 PolarHBondContact O-N 2.79Å; P39-G41 PolarHBondContact O-N 3.39Å |
| 42 | I | 88 | Confident | 84.5 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.2 | 174.1 | 53.4 | 169.9 | 0 | 0 | 0 | 108.1 | S40 T79 | S40-I42 PolarHBondContact OG-O 2.76Å; I42-T79 HydrophobicContact CD1-CG2 4.31Å |
| 43 | L | 88.3 | Confident | 83.9 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 114 | -176.2 | -167.9 | 154.4 | 0 | 0 | 0 | 108.8 | F34 C38 E47 F48 L51 F69 I80 | F34-L43 HydrophobicContact CE2-CB 4.24Å; F34-L43 HydrophobicContact CE2-CD1 4.06Å; F34-L43 HydrophobicContact CZ-CB 3.99Å; C38-L43 VanDerWaalsContact SG-CD1 3.52Å; L43-E47 WeakPolarHBondContact CA-OE2 3.23Å; L43-E47 HydrophobicContact CD2-CB 4.42Å; L43-E47 HydrophobicContact CG-CB 4.18Å; L43-F48 HydrophobicContact CD2-CB 3.35Å; L43-F48 HydrophobicContact CD2-CD2 3.47Å; L43-F48 VanDerWaalsContact CD2-CD2 3.47Å; L43-F48 HydrophobicContact CD2-CG 3.85Å; L43-L51 HydrophobicContact CD1-CD1 3.69Å; L43-F69 HydrophobicContact CD2-CE2 4.47Å; L43-F69 WeakPolarHBondContact O-CE2 3.45Å; L43-I80 HydrophobicContact CB-CB 4.35Å; L43-I80 PolarHBondContact N-O 3.49Å; L43-I80 PolarHBondContact O-N 2.81Å |
| 44 | N | 90.3 | Very high | 83.3 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 169.7 | 179.2 | 68.1 | 52.6 | 0 | 0 | 0 | 111.9 | E46 E47 F48 | N44-E46 VanDerWaalsContact C-N 3.29Å; N44-E46 PolarHBondContact O-N 2.91Å; N44-E46 WeakPolarHBondContact OD1-CB 3.41Å; N44-E46 PolarHBondContact OD1-N 3.42Å; N44-E47 PolarHBondContact N-OE2 3.31Å; N44-E47 PolarHBondContact ND2-OE2 3.2Å; N44-E47 VanDerWaalsContact ND2-OE2 3.11Å; N44-E47 PolarHBondContact O-N 3.05Å; N44-E47 WeakPolarHBondContact OD1-CG 3.42Å; N44-E47 PolarHBondContact OD1-N 3.46Å; N44-F48 PolarHBondContact O-N 3.45Å |
| 45 | L | 86.8 | Confident | 82.5 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.4 | -40.7 | -178 | 177.7 | 61.4 | 0 | 0 | 0 | 113.2 | F48 Q49 Q66 F69 | L45-F48 PolarHBondContact O-N 2.96Å; L45-Q49 HydrophobicContact CD1-CG 4.23Å; L45-Q49 WeakPolarHBondContact O-CB 3.38Å; L45-Q49 WeakPolarHBondContact O-CG 3.48Å; L45-Q49 PolarHBondContact O-N 3.33Å; L45-Q66 HydrophobicContact CD1-CB 4.1Å; L45-Q66 HydrophobicContact CD1-CG 4.16Å; L45-Q66 HydrophobicContact CD2-CG 4.17Å; L45-F69 HydrophobicContact CB-CD2 4.36Å; L45-F69 HydrophobicContact CB-CE2 4.3Å; L45-F69 HydrophobicContact CB-CG 4.5Å; L45-F69 HydrophobicContact CB-CZ 4.38Å; L45-F69 HydrophobicContact CD1-CB 3.75Å; L45-F69 HydrophobicContact CD1-CD1 4.24Å; L45-F69 HydrophobicContact CD1-CD2 4.09Å; L45-F69 HydrophobicContact CD1-CG 3.76Å |
| 46 | E | 86.9 | Confident | 81.6 | Confident | 138 Ų | 138 | 73.1 Ų | 73.1 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 180 | -62.7 | -176.5 | 174.8 | 0 | 0 | 111.3 | N44 F48 Q49 Q50 | N44-E46 VanDerWaalsContact C-N 3.29Å; N44-E46 PolarHBondContact O-N 2.91Å; N44-E46 WeakPolarHBondContact OD1-CB 3.41Å; N44-E46 PolarHBondContact OD1-N 3.42Å; E46-F48 VanDerWaalsContact C-N 3.33Å; E46-F48 PolarHBondContact O-N 2.99Å; E46-Q49 PolarHBondContact O-N 2.64Å; E46-Q50 WeakPolarHBondContact O-CG 3.2Å; E46-Q50 PolarHBondContact O-N 3.03Å |
| 47 | E | 86.9 | Confident | 80.8 | Confident | 61 Ų | 61 | 69 Ų | 69 | 29% | 0.285 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 175.7 | -69.8 | 169.3 | 154.1 | 0 | 0 | 111 | L43 N44 Q50 L51 | L43-E47 WeakPolarHBondContact CA-OE2 3.23Å; L43-E47 HydrophobicContact CD2-CB 4.42Å; L43-E47 HydrophobicContact CG-CB 4.18Å; N44-E47 PolarHBondContact N-OE2 3.31Å; N44-E47 PolarHBondContact ND2-OE2 3.2Å; N44-E47 VanDerWaalsContact ND2-OE2 3.11Å; N44-E47 PolarHBondContact O-N 3.05Å; N44-E47 WeakPolarHBondContact OD1-CG 3.42Å; N44-E47 PolarHBondContact OD1-N 3.46Å; E47-Q50 PolarHBondContact O-N 3.37Å; E47-L51 WeakPolarHBondContact O-CG 3.26Å; E47-L51 PolarHBondContact O-N 3.08Å |
| 48 | F | 85.9 | Confident | 80.2 | Confident | 8 Ų | 8 | 74.4 Ų | 74.4 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.3 | -161.7 | -111.2 | 0 | 0 | 0 | 112.2 | L43 N44 L45 E46 Q50 L51 Y52 A65 A68 F69 F72 I80 | L43-F48 HydrophobicContact CD2-CB 3.35Å; L43-F48 HydrophobicContact CD2-CD2 3.47Å; L43-F48 VanDerWaalsContact CD2-CD2 3.47Å; L43-F48 HydrophobicContact CD2-CG 3.85Å; N44-F48 PolarHBondContact O-N 3.45Å; L45-F48 PolarHBondContact O-N 2.96Å; E46-F48 VanDerWaalsContact C-N 3.33Å; E46-F48 PolarHBondContact O-N 2.99Å; F48-Q50 VanDerWaalsContact C-N 3.32Å; F48-Q50 PolarHBondContact O-N 2.57Å; F48-L51 WeakPolarHBondContact O-CB 3.28Å; F48-L51 PolarHBondContact O-N 2.89Å; F48-Y52 HydrophobicContact CD1-CD2 4.05Å; F48-Y52 HydrophobicContact CD1-CE2 4.06Å; F48-Y52 AromaticContact CE1-CD2 3.83Å; F48-Y52 HydrophobicContact CE1-CD2 3.83Å; F48-Y52 AromaticContact CE1-CE2 3.38Å; F48-Y52 HydrophobicContact CE1-CE2 3.38Å; F48-Y52 HydrophobicContact CE2-CE2 4.05Å; F48-Y52 HydrophobicContact CZ-CD2 4.17Å; F48-Y52 AromaticContact CZ-CE2 3.4Å; F48-Y52 HydrophobicContact CZ-CE2 3.4Å; F48-Y52 VanDerWaalsContact CZ-CE2 3.4Å; F48-Y52 PolarHBondContact O-N 3.43Å; F48-Y52 VanDerWaalsContact O-N 3.08Å; F48-A65 HydrophobicContact CD1-CB 4.14Å; F48-A65 WeakPolarHBondContact CD1-O 3.3Å; F48-A65 HydrophobicContact CE1-CB 4.46Å; F48-A65 VanDerWaalsContact CE1-O 3.31Å; F48-A65 WeakPolarHBondContact CE1-O 3.33Å; F48-A68 HydrophobicContact CE1-CB 3.92Å; F48-A68 HydrophobicContact CZ-CB 4.36Å; F48-F69 HydrophobicContact CB-CD2 3.73Å; F48-F69 HydrophobicContact CB-CE2 4.29Å; F48-F69 HydrophobicContact CD1-CB 3.91Å; F48-F69 HydrophobicContact CD1-CD2 4.02Å; F48-F69 HydrophobicContact CD1-CG 4.5Å; F48-F69 HydrophobicContact CD2-CD2 4.47Å; F48-F69 HydrophobicContact CE1-CB 4.14Å; F48-F69 AromaticContact CG-CD2 3.85Å; F48-F69 HydrophobicContact CG-CD2 3.85Å; F48-F72 HydrophobicContact CZ-CE2 4.45Å; F48-I80 HydrophobicContact CD2-CD1 4.05Å; F48-I80 HydrophobicContact CE2-CD1 4.07Å; F48-I80 HydrophobicContact CG-CD1 4.5Å |
| 49 | Q | 84.4 | Confident | 79.6 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 176.1 | -76.1 | 178 | -18.9 | 0 | 0 | 111.1 | L45 E46 L51 Y52 V53 S62 A65 | L45-Q49 HydrophobicContact CD1-CG 4.23Å; L45-Q49 WeakPolarHBondContact O-CB 3.38Å; L45-Q49 WeakPolarHBondContact O-CG 3.48Å; L45-Q49 PolarHBondContact O-N 3.33Å; E46-Q49 PolarHBondContact O-N 2.64Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3.27Å; Q49-Y52 PolarHBondContact O-N 3.14Å; Q49-Y52 VanDerWaalsContact O-N 3.14Å; Q49-V53 WeakPolarHBondContact O-CG2 3.16Å; Q49-V53 PolarHBondContact O-N 3.08Å; Q49-S62 PolarHBondContact NE2-O 3.22Å; Q49-A65 HydrophobicContact CG-CB 3.86Å |
| 50 | Q | 82.6 | Confident | 79.4 | Confident | 120 Ų | 120 | 74.4 Ų | 74.4 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.1 | -35.7 | 176.5 | -73.4 | -178.8 | 18.3 | 0 | 0 | 113 | E46 E47 F48 K54 | E46-Q50 WeakPolarHBondContact O-CG 3.2Å; E46-Q50 PolarHBondContact O-N 3.03Å; E47-Q50 PolarHBondContact O-N 3.37Å; F48-Q50 VanDerWaalsContact C-N 3.32Å; F48-Q50 PolarHBondContact O-N 2.57Å; Q50-K54 WeakPolarHBondContact O-CG 3.4Å; Q50-K54 PolarHBondContact O-N 3.35Å |
| 51 | L | 79 | Confident | 79.1 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 172.2 | -68.8 | 178.9 | 0 | 0 | 0 | 110.9 | L43 E47 F48 Q49 V53 K54 F55 | L43-L51 HydrophobicContact CD1-CD1 3.69Å; E47-L51 WeakPolarHBondContact O-CG 3.26Å; E47-L51 PolarHBondContact O-N 3.08Å; F48-L51 WeakPolarHBondContact O-CB 3.28Å; F48-L51 PolarHBondContact O-N 2.89Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3.27Å; L51-V53 PolarHBondContact O-N 3.1Å; L51-K54 WeakPolarHBondContact O-CB 3.17Å; L51-K54 PolarHBondContact O-N 3.15Å; L51-K54 VanDerWaalsContact O-N 3.15Å; L51-F55 WeakPolarHBondContact O-CD2 3.33Å; L51-F55 PolarHBondContact O-N 2.88Å |
| 52 | Y | 73.2 | Confident | 79 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 18% | 0.18 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 178.7 | -94.7 | -101.3 | 0 | 0 | 0 | 112.9 | F48 Q49 K54 F55 F56 F64 A65 M131 | F48-Y52 HydrophobicContact CD1-CD2 4.05Å; F48-Y52 HydrophobicContact CD1-CE2 4.06Å; F48-Y52 AromaticContact CE1-CD2 3.83Å; F48-Y52 HydrophobicContact CE1-CD2 3.83Å; F48-Y52 AromaticContact CE1-CE2 3.38Å; F48-Y52 HydrophobicContact CE1-CE2 3.38Å; F48-Y52 HydrophobicContact CE2-CE2 4.05Å; F48-Y52 HydrophobicContact CZ-CD2 4.17Å; F48-Y52 AromaticContact CZ-CE2 3.4Å; F48-Y52 HydrophobicContact CZ-CE2 3.4Å; F48-Y52 VanDerWaalsContact CZ-CE2 3.4Å; F48-Y52 PolarHBondContact O-N 3.43Å; F48-Y52 VanDerWaalsContact O-N 3.08Å; Q49-Y52 PolarHBondContact O-N 3.14Å; Q49-Y52 VanDerWaalsContact O-N 3.14Å; Y52-K54 VanDerWaalsContact C-N 3.26Å; Y52-K54 PolarHBondContact O-N 3.44Å; Y52-F55 PolarHBondContact O-N 2.87Å; Y52-F55 VanDerWaalsContact O-N 3.09Å; Y52-F56 HydrophobicContact CD1-CD2 4.25Å; Y52-F56 HydrophobicContact CD1-CE2 4.32Å; Y52-F56 WeakPolarHBondContact O-CD2 3.2Å; Y52-F56 PolarHBondContact O-N 3.45Å; Y52-F64 HydrophobicContact CD1-CD1 4.23Å; Y52-F64 AromaticContact CE1-CD1 3.75Å; Y52-F64 HydrophobicContact CE1-CD1 3.75Å; Y52-F64 AromaticContact CE1-CE1 3.76Å; Y52-F64 HydrophobicContact CE1-CE1 3.76Å; Y52-A65 HydrophobicContact CD1-CB 4.25Å; Y52-A65 HydrophobicContact CD2-CB 4.05Å; Y52-A65 HydrophobicContact CG-CB 3.78Å; Y52-M131 HydrophobicContact CD1-CE 3.83Å; Y52-M131 HydrophobicContact CE1-CE 3.96Å |
| 53 | V | 74.7 | Confident | 78.8 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 176 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | Q49 L51 F55 F56 P57 | Q49-V53 WeakPolarHBondContact O-CG2 3.16Å; Q49-V53 PolarHBondContact O-N 3.08Å; L51-V53 PolarHBondContact O-N 3.1Å; V53-F55 VanDerWaalsContact C-N 3.33Å; V53-F55 PolarHBondContact O-N 3.08Å; V53-F56 CarbonylContact O-C 3.58Å; V53-F56 VanDerWaalsContact O-C 3.3Å; V53-F56 PolarHBondContact O-N 3.44Å; V53-P57 VanDerWaalsContact O-CA 3.3Å; V53-P57 WeakPolarHBondContact O-CA 3.45Å |
| 54 | K | 73.8 | Confident | 78.5 | Confident | 154 Ų | 154 | 74 Ų | 74 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.1 | -34.2 | 174.9 | -71.6 | 172.4 | -177.4 | 170.5 | 0 | 112.7 | Q50 L51 Y52 | Q50-K54 WeakPolarHBondContact O-CG 3.4Å; Q50-K54 PolarHBondContact O-N 3.35Å; L51-K54 WeakPolarHBondContact O-CB 3.17Å; L51-K54 PolarHBondContact O-N 3.15Å; L51-K54 VanDerWaalsContact O-N 3.15Å; Y52-K54 VanDerWaalsContact C-N 3.26Å; Y52-K54 PolarHBondContact O-N 3.44Å |
| 55 | F | 68.8 | Low | 78.3 | Confident | 152 Ų | 152 | 71.3 Ų | 71.3 | 67% | 0.667 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -80.5 | -30.7 | 177.2 | -69.5 | -70.8 | 0 | 0 | 0 | 112.7 | L51 Y52 V53 P57 | L51-F55 WeakPolarHBondContact O-CD2 3.33Å; L51-F55 PolarHBondContact O-N 2.88Å; Y52-F55 PolarHBondContact O-N 2.87Å; Y52-F55 VanDerWaalsContact O-N 3.09Å; V53-F55 VanDerWaalsContact C-N 3.33Å; V53-F55 PolarHBondContact O-N 3.08Å; F55-P57 VanDerWaalsContact O-CD 3.31Å; F55-P57 WeakPolarHBondContact O-CD 3.25Å |
| 56 | F | 67.4 | Low | 78.3 | Confident | 50 Ų | 50 | 73.6 Ų | 73.6 | 22% | 0.219 | 35% | 0.354 | C | S | . | . | trans | -123 | 64.4 | -178.3 | -59.5 | -81.3 | 0 | 0 | 0 | 111.4 | Y52 V53 Y58 G59 A61 M131 M189 | Y52-F56 HydrophobicContact CD1-CD2 4.25Å; Y52-F56 HydrophobicContact CD1-CE2 4.32Å; Y52-F56 WeakPolarHBondContact O-CD2 3.2Å; Y52-F56 PolarHBondContact O-N 3.45Å; V53-F56 CarbonylContact O-C 3.58Å; V53-F56 VanDerWaalsContact O-C 3.3Å; V53-F56 PolarHBondContact O-N 3.44Å; F56-Y58 PolarHBondContact O-N 3.39Å; F56-G59 PolarHBondContact O-N 3.48Å; F56-A61 HydrophobicContact CB-CB 4.27Å; F56-M131 HydrophobicContact CB-CG 4.44Å; F56-M131 HydrophobicContact CD1-CE 3.84Å; F56-M131 HydrophobicContact CD1-CG 4.43Å; F56-M131 HydrophobicContact CD2-CE 3.18Å; F56-M131 HydrophobicContact CE1-CE 3.81Å; F56-M131 HydrophobicContact CE2-CE 3.13Å; F56-M131 HydrophobicContact CG-CE 3.56Å; F56-M131 HydrophobicContact CG-CG 4.21Å; F56-M131 HydrophobicContact CZ-CE 3.48Å; F56-M131 VanDerWaalsContact CZ-CE 3.48Å; F56-M189 HydrophobicContact CD1-SD 4.39Å; F56-M189 HydrophobicContact CE1-CE 3.88Å; F56-M189 HydrophobicContact CE1-SD 3.29Å; F56-M189 WeakPolarHBondContact CE1-SD 3.32Å; F56-M189 HydrophobicContact CE2-CE 4.27Å; F56-M189 HydrophobicContact CZ-CE 3.32Å; F56-M189 HydrophobicContact CZ-SD 3.42Å; F56-M189 WeakPolarHBondContact CZ-SD 3.15Å | ||
| 57 | P | 67.4 | Low | 78.2 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -10.9 | -170.8 | 27.2 | -35.4 | 0 | 0 | 0 | 114.4 | V53 F55 | V53-P57 VanDerWaalsContact O-CA 3.3Å; V53-P57 WeakPolarHBondContact O-CA 3.45Å; F55-P57 VanDerWaalsContact O-CD 3.31Å; F55-P57 WeakPolarHBondContact O-CD 3.25Å |
| 58 | Y | 67.1 | Low | 78 | Confident | 225 Ų | 225 | 64.5 Ų | 64.5 | 88% | 0.882 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -3.6 | -174.7 | -57.7 | -72 | 0 | 0 | 0 | 114.2 | F56 | F56-Y58 PolarHBondContact O-N 3.39Š|
| 59 | G | 69.9 | Low | 78.1 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -130 | 174.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | F56 A61 K130 M131 | F56-G59 PolarHBondContact O-N 3.48Å; G59-A61 PolarHBondContact O-N 2.88Å; G59-K130 WeakPolarHBondContact CA-O 3.29Å; G59-M131 WeakPolarHBondContact CA-O 3.3Å |
| 60 | D | 78.4 | Confident | 78.2 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | trans | -94.2 | 90.2 | 172.8 | -179.6 | 8.4 | 0 | 0 | 0 | 109.3 | S62 K130 M131 | D60-S62 PolarHBondContact O-N 3.11Å; D60-S62 WeakPolarHBondContact OD1-CB 3.44Å; D60-S62 PolarHBondContact OD1-N 3.01Å; D60-S62 PolarHBondContact OD1-OG 3.31Å; D60-K130 HydrophobicContact CB-CB 4.35Å; D60-K130 PolarHBondContact N-O 3.11Å; D60-K130 CarbonylContact O-C 3.3Å; D60-M131 WeakPolarHBondContact O-CA 3.35Å; D60-M131 PolarHBondContact O-N 3.44Å | ||
| 61 | A | 77.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -79.3 | -2.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F56 G59 K63 F64 A65 M131 | F56-A61 HydrophobicContact CB-CB 4.27Å; G59-A61 PolarHBondContact O-N 2.88Å; A61-K63 PolarHBondContact O-N 2.99Å; A61-F64 PolarHBondContact O-N 2.99Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.42Å; A61-M131 HydrophobicContact CB-CB 4.44Å; A61-M131 HydrophobicContact CB-CG 3.82Å; A61-M131 HydrophobicContact CB-SD 4.44Å | ||
| 62 | S | 82.1 | Confident | 78.6 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | -167.1 | -43.3 | 0 | 0 | 0 | 0 | 112.4 | Q49 D60 Q66 | Q49-S62 PolarHBondContact NE2-O 3.22Å; D60-S62 PolarHBondContact O-N 3.11Å; D60-S62 WeakPolarHBondContact OD1-CB 3.44Å; D60-S62 PolarHBondContact OD1-N 3.01Å; D60-S62 PolarHBondContact OD1-OG 3.31Å; S62-Q66 PolarHBondContact O-N 3.11Å |
| 63 | K | 82.7 | Confident | 79.3 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 176.6 | -78 | -160.7 | 169.8 | -154.3 | 0 | 112 | A61 A65 Q66 H67 A127 | A61-K63 PolarHBondContact O-N 2.99Å; K63-A65 VanDerWaalsContact C-N 3.33Å; K63-A65 PolarHBondContact O-N 3.2Å; K63-Q66 WeakPolarHBondContact O-CB 3.38Å; K63-Q66 PolarHBondContact O-N 2.89Å; K63-Q66 VanDerWaalsContact O-N 3.11Å; K63-H67 PolarHBondContact O-CD2 3.35Å; K63-H67 PolarHBondContact O-N 2.65Å; K63-H67 VanDerWaalsContact O-N 3.09Å; K63-A127 HydrophobicContact CB-CB 3.82Å |
| 64 | F | 83.4 | Confident | 79.7 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 179 | -177.6 | -92.4 | 0 | 0 | 0 | 111.5 | Y52 A61 Q66 H67 A68 M107 A127 I128 M131 | Y52-F64 HydrophobicContact CD1-CD1 4.23Å; Y52-F64 AromaticContact CE1-CD1 3.75Å; Y52-F64 HydrophobicContact CE1-CD1 3.75Å; Y52-F64 AromaticContact CE1-CE1 3.76Å; Y52-F64 HydrophobicContact CE1-CE1 3.76Å; A61-F64 PolarHBondContact O-N 2.99Å; F64-Q66 VanDerWaalsContact C-N 3.26Å; F64-Q66 PolarHBondContact O-N 2.85Å; F64-H67 PolarHBondContact O-N 3.2Å; F64-A68 HydrophobicContact CE1-CB 4.34Å; F64-A68 WeakPolarHBondContact O-CB 3.1Å; F64-A68 PolarHBondContact O-N 3.04Å; F64-M107 HydrophobicContact CE2-SD 3.89Å; F64-M107 HydrophobicContact CZ-CE 4.2Å; F64-M107 HydrophobicContact CZ-SD 3.94Å; F64-A127 HydrophobicContact CB-CB 4.32Å; F64-I128 HydrophobicContact CD2-CG1 3.63Å; F64-I128 HydrophobicContact CE2-CD1 4.22Å; F64-I128 HydrophobicContact CE2-CG1 3.73Å; F64-M131 HydrophobicContact CB-CB 4.37Å; F64-M131 HydrophobicContact CB-SD 3.62Å; F64-M131 HydrophobicContact CD1-CE 3.9Å; F64-M131 HydrophobicContact CD1-SD 3.27Å; F64-M131 WeakPolarHBondContact CD1-SD 3.29Å; F64-M131 HydrophobicContact CD2-SD 4.18Å; F64-M131 HydrophobicContact CE1-CE 4.22Å; F64-M131 HydrophobicContact CE1-SD 3.96Å; F64-M131 HydrophobicContact CG-SD 3.39Å; F64-M131 WeakPolarHBondContact CG-SD 3.43Å |
| 65 | A | 84.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F48 Q49 Y52 A61 K63 F69 | F48-A65 HydrophobicContact CD1-CB 4.14Å; F48-A65 WeakPolarHBondContact CD1-O 3.3Å; F48-A65 HydrophobicContact CE1-CB 4.46Å; F48-A65 VanDerWaalsContact CE1-O 3.31Å; F48-A65 WeakPolarHBondContact CE1-O 3.33Å; Q49-A65 HydrophobicContact CG-CB 3.86Å; Y52-A65 HydrophobicContact CD1-CB 4.25Å; Y52-A65 HydrophobicContact CD2-CB 4.05Å; Y52-A65 HydrophobicContact CG-CB 3.78Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.42Å; K63-A65 VanDerWaalsContact C-N 3.33Å; K63-A65 PolarHBondContact O-N 3.2Å; A65-F69 WeakPolarHBondContact O-CB 3.38Å; A65-F69 PolarHBondContact O-N 3.09Å |
| 66 | Q | 87.1 | Confident | 81.1 | Confident | 99 Ų | 99 | 54.1 Ų | 54.1 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 174.2 | -174.2 | 178.6 | 15.8 | 0 | 0 | 112.6 | L45 S62 K63 F64 F69 R70 | L45-Q66 HydrophobicContact CD1-CB 4.1Å; L45-Q66 HydrophobicContact CD1-CG 4.16Å; L45-Q66 HydrophobicContact CD2-CG 4.17Å; S62-Q66 PolarHBondContact O-N 3.11Å; K63-Q66 WeakPolarHBondContact O-CB 3.38Å; K63-Q66 PolarHBondContact O-N 2.89Å; K63-Q66 VanDerWaalsContact O-N 3.11Å; F64-Q66 VanDerWaalsContact C-N 3.26Å; F64-Q66 PolarHBondContact O-N 2.85Å; Q66-F69 WeakPolarHBondContact O-CB 3.36Å; Q66-F69 PolarHBondContact O-N 3.31Å; Q66-R70 PolarHBondContact O-N 3.44Å; Q66-R70 VanDerWaalsContact O-N 3.16Å |
| 67 | H | 84.8 | Confident | 82.1 | Confident | 9 Ų | 9 | 56 Ų | 56 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.7 | -61.2 | -58.4 | 0 | 0 | 0 | 111.8 | K63 F64 F69 R70 T71 E123 I124 | K63-H67 PolarHBondContact O-CD2 3.35Å; K63-H67 PolarHBondContact O-N 2.65Å; K63-H67 VanDerWaalsContact O-N 3.09Å; F64-H67 PolarHBondContact O-N 3.2Å; H67-F69 VanDerWaalsContact C-N 3.32Å; H67-F69 PolarHBondContact O-N 3.16Å; H67-R70 PolarHBondContact O-N 3.34Å; H67-T71 PolarHBondContact O-N 2.96Å; H67-E123 IonicContact CE1-OE1 2.71Å; H67-E123 PolarHBondContact CE1-OE1 3.39Å; H67-E123 IonicContact NE2-OE1 3.26Å; H67-I124 HydrophobicContact CB-CD1 3.64Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.46Å |
| 68 | A | 84.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F48 F64 R70 T71 F72 M107 | F48-A68 HydrophobicContact CE1-CB 3.92Å; F48-A68 HydrophobicContact CZ-CB 4.36Å; F64-A68 HydrophobicContact CE1-CB 4.34Å; F64-A68 WeakPolarHBondContact O-CB 3.1Å; F64-A68 PolarHBondContact O-N 3.04Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 3.34Å; A68-T71 PolarHBondContact O-N 2.92Å; A68-T71 PolarHBondContact O-OG1 3.28Å; A68-F72 WeakPolarHBondContact O-CD2 3.31Å; A68-F72 PolarHBondContact O-N 2.78Å; A68-M107 HydrophobicContact CB-CE 4.04Å |
| 69 | F | 87.8 | Confident | 84.2 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 5% | 0.053 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54 | -48.4 | 177 | -174.3 | -85.2 | 0 | 0 | 0 | 111.8 | L43 L45 F48 A65 Q66 H67 T71 F72 D73 G78 I80 | L43-F69 HydrophobicContact CD2-CE2 4.47Å; L43-F69 WeakPolarHBondContact O-CE2 3.45Å; L45-F69 HydrophobicContact CB-CD2 4.36Å; L45-F69 HydrophobicContact CB-CE2 4.3Å; L45-F69 HydrophobicContact CB-CG 4.5Å; L45-F69 HydrophobicContact CB-CZ 4.38Å; L45-F69 HydrophobicContact CD1-CB 3.75Å; L45-F69 HydrophobicContact CD1-CD1 4.24Å; L45-F69 HydrophobicContact CD1-CD2 4.09Å; L45-F69 HydrophobicContact CD1-CG 3.76Å; F48-F69 HydrophobicContact CB-CD2 3.73Å; F48-F69 HydrophobicContact CB-CE2 4.29Å; F48-F69 HydrophobicContact CD1-CB 3.91Å; F48-F69 HydrophobicContact CD1-CD2 4.02Å; F48-F69 HydrophobicContact CD1-CG 4.5Å; F48-F69 HydrophobicContact CD2-CD2 4.47Å; F48-F69 HydrophobicContact CE1-CB 4.14Å; F48-F69 AromaticContact CG-CD2 3.85Å; F48-F69 HydrophobicContact CG-CD2 3.85Å; A65-F69 WeakPolarHBondContact O-CB 3.38Å; A65-F69 PolarHBondContact O-N 3.09Å; Q66-F69 WeakPolarHBondContact O-CB 3.36Å; Q66-F69 PolarHBondContact O-N 3.31Å; H67-F69 VanDerWaalsContact C-N 3.32Å; H67-F69 PolarHBondContact O-N 3.16Å; F69-T71 PolarHBondContact O-N 3.48Å; F69-F72 WeakPolarHBondContact O-CB 3.31Å; F69-F72 PolarHBondContact O-N 2.67Å; F69-D73 HydrophobicContact CD1-CB 4.27Å; F69-D73 HydrophobicContact CE1-CB 3.97Å; F69-D73 WeakPolarHBondContact O-CB 3.18Å; F69-D73 PolarHBondContact O-N 3.47Å; F69-G78 WeakPolarHBondContact CZ-O 3.41Å; F69-I80 HydrophobicContact CD2-CD1 3.27Å; F69-I80 HydrophobicContact CD2-CG1 3.94Å; F69-I80 HydrophobicContact CE1-CG1 4.48Å; F69-I80 HydrophobicContact CE2-CB 4.41Å; F69-I80 HydrophobicContact CE2-CD1 3.4Å; F69-I80 VanDerWaalsContact CE2-CD1 3.4Å; F69-I80 HydrophobicContact CE2-CG1 3.57Å; F69-I80 HydrophobicContact CG-CD1 3.94Å; F69-I80 HydrophobicContact CZ-CD1 4.15Å; F69-I80 HydrophobicContact CZ-CG1 3.87Å |
| 70 | R | 86.8 | Confident | 85.2 | Confident | 85 Ų | 85 | 43.4 Ų | 43.4 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.5 | -35.5 | 177 | -172.4 | -172.6 | 67.3 | -138.2 | -8.6 | 112.8 | Q66 H67 A68 F72 N106 M107 D109 L110 | Q66-R70 PolarHBondContact O-N 3.44Å; Q66-R70 VanDerWaalsContact O-N 3.16Å; H67-R70 PolarHBondContact O-N 3.34Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 3.34Å; R70-F72 VanDerWaalsContact C-N 3.31Å; R70-N106 PolarHBondContact NH2-O 3.19Å; R70-M107 PolarHBondContact NH2-O 2.98Å; R70-D109 PolarHBondContact NH2-O 3.08Å; R70-L110 VanDerWaalsContact CZ-CA 3.49Å; R70-L110 PolarHBondContact NH1-O 3.41Å |
| 71 | T | 83.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.9 | -23.4 | 179.2 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | H67 A68 F69 K74 N106 M107 | H67-T71 PolarHBondContact O-N 2.96Å; A68-T71 PolarHBondContact O-N 2.92Å; A68-T71 PolarHBondContact O-OG1 3.28Å; F69-T71 PolarHBondContact O-N 3.48Å; T71-K74 WeakPolarHBondContact O-CE 3.28Å; T71-K74 PolarHBondContact O-NZ 3.43Å; T71-N106 HydrophobicContact CG2-CB 4.45Å; T71-N106 WeakPolarHBondContact CG2-O 3.43Å; T71-M107 VanDerWaalsContact CG2-CA 3.5Å; T71-M107 HydrophobicContact CG2-CB 3.92Å |
| 72 | F | 85.9 | Confident | 86.3 | Confident | 16 Ų | 16 | 43 Ų | 43 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -84.2 | -44.6 | 176.1 | -81.8 | -121.7 | 0 | 0 | 0 | 111.5 | F48 A68 F69 R70 K74 I80 E84 F85 A88 W103 | F48-F72 HydrophobicContact CZ-CE2 4.45Å; A68-F72 WeakPolarHBondContact O-CD2 3.31Å; A68-F72 PolarHBondContact O-N 2.78Å; F69-F72 WeakPolarHBondContact O-CB 3.31Å; F69-F72 PolarHBondContact O-N 2.67Å; R70-F72 VanDerWaalsContact C-N 3.31Å; F72-K74 PolarHBondContact O-N 3.42Å; F72-I80 HydrophobicContact CB-CD1 3.46Å; F72-I80 VanDerWaalsContact CB-CD1 3.46Å; F72-I80 HydrophobicContact CB-CG1 3.91Å; F72-I80 HydrophobicContact CB-CG2 4.46Å; F72-I80 HydrophobicContact CD1-CD1 4.35Å; F72-I80 HydrophobicContact CG-CD1 4.18Å; F72-E84 WeakPolarHBondContact O-CB 3.33Å; F72-F85 HydrophobicContact CE1-CD2 4.29Å; F72-A88 HydrophobicContact CD1-CB 3.36Å; F72-A88 HydrophobicContact CD2-CB 3.97Å; F72-A88 HydrophobicContact CE1-CB 3.38Å; F72-A88 HydrophobicContact CE2-CB 4.03Å; F72-A88 HydrophobicContact CG-CB 3.67Å; F72-A88 HydrophobicContact CZ-CB 3.73Å; F72-W103 HydrophobicContact CD2-CZ2 4.4Å; F72-W103 AromaticContact CE2-CZ2 3.81Å; F72-W103 HydrophobicContact CE2-CZ2 3.81Å |
| 73 | D | 88.3 | Confident | 86.7 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | trans | -69.2 | 93.4 | 175.8 | 178.9 | 2.8 | 0 | 0 | 0 | 110 | F69 N75 G76 D77 G78 I80 | F69-D73 HydrophobicContact CD1-CB 4.27Å; F69-D73 HydrophobicContact CE1-CB 3.97Å; F69-D73 WeakPolarHBondContact O-CB 3.18Å; F69-D73 PolarHBondContact O-N 3.47Å; D73-N75 PolarHBondContact OD1-OD1 3.28Å; D73-G76 WeakPolarHBondContact OD1-CA 3.21Å; D73-G76 PolarHBondContact OD1-N 3.4Å; D73-D77 PolarHBondContact OD1-N 2.94Å; D73-G78 WeakPolarHBondContact OD2-CA 3.37Å; D73-G78 PolarHBondContact OD2-N 3.17Å; D73-I80 HydrophobicContact CB-CG1 4.33Å | ||
| 74 | K | 82.8 | Confident | 87 | Confident | 131 Ų | 131 | 43 Ų | 43 | 57% | 0.57 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -85.6 | -29.3 | -175.5 | -72.1 | -56.2 | -175 | -158 | 0 | 112.2 | T71 F72 E84 | T71-K74 WeakPolarHBondContact O-CE 3.28Å; T71-K74 PolarHBondContact O-NZ 3.43Å; F72-K74 PolarHBondContact O-N 3.42Å; K74-E84 PolarHBondContact N-OE1 2.97Å |
| 75 | N | 85.8 | Confident | 87.3 | Confident | 92 Ų | 92 | 43.4 Ų | 43.4 | 49% | 0.492 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -87.4 | -11.6 | -179.4 | 71.2 | 6.6 | 0 | 0 | 0 | 112.4 | D73 D77 E84 | D73-N75 PolarHBondContact OD1-OD1 3.28Å; N75-D77 VanDerWaalsContact C-N 3.3Å; N75-D77 VanDerWaalsContact ND2-CG 3.32Å; N75-D77 PolarHBondContact ND2-OD2 2.89Å; N75-D77 WeakPolarHBondContact OD1-CB 3.46Å; N75-D77 PolarHBondContact OD1-N 2.66Å; N75-D77 PolarHBondContact OD1-OD1 3.48Å; N75-D77 PolarHBondContact OD1-OD2 3.19Å; N75-E84 PolarHBondContact N-OE1 2.92Å |
| 76 | G | 84.9 | Confident | 87.4 | Confident | 62 Ų | 62 | 43.4 Ų | 43.4 | 64% | 0.639 | 23% | 0.229 | S | C | * | . | trans | 70.8 | 24.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | D73 G78 | D73-G76 WeakPolarHBondContact OD1-CA 3.21Å; D73-G76 PolarHBondContact OD1-N 3.4Å; G76-G78 VanDerWaalsContact C-N 3.27Å | ||
| 77 | D | 89.5 | Confident | 87.4 | Confident | 88 Ų | 88 | 39.8 Ų | 39.8 | 47% | 0.471 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -84.2 | -2.3 | -176.9 | 78.2 | 14.2 | 0 | 0 | 0 | 113.4 | D73 N75 T79 | D73-D77 PolarHBondContact OD1-N 2.94Å; N75-D77 VanDerWaalsContact C-N 3.3Å; N75-D77 VanDerWaalsContact ND2-CG 3.32Å; N75-D77 PolarHBondContact ND2-OD2 2.89Å; N75-D77 WeakPolarHBondContact OD1-CB 3.46Å; N75-D77 PolarHBondContact OD1-N 2.66Å; N75-D77 PolarHBondContact OD1-OD1 3.48Å; N75-D77 PolarHBondContact OD1-OD2 3.19Å; D77-T79 VanDerWaalsContact C-N 3.28Å; D77-T79 VanDerWaalsContact OD1-CA 3.32Å; D77-T79 WeakPolarHBondContact OD1-CA 3.41Å; D77-T79 WeakPolarHBondContact OD1-CB 3.32Å; D77-T79 PolarHBondContact OD1-N 2.67Å; D77-T79 VanDerWaalsContact OD1-O 3.06Å; D77-T79 PolarHBondContact OD1-OG1 3.29Å; D77-T79 PolarHBondContact OD2-OG1 3.39Å |
| 78 | G | 88.4 | Confident | 87.5 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 79.9 | 10.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F69 D73 G76 | F69-G78 WeakPolarHBondContact CZ-O 3.41Å; D73-G78 WeakPolarHBondContact OD2-CA 3.37Å; D73-G78 PolarHBondContact OD2-N 3.17Å; G76-G78 VanDerWaalsContact C-N 3.27Å |
| 79 | T | 90.8 | Very high | 87.5 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 19% | 0.19 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 155 | 174.9 | 70.5 | 0 | 0 | 0 | 0 | 110.2 | I42 D77 | I42-T79 HydrophobicContact CD1-CG2 4.31Å; D77-T79 VanDerWaalsContact C-N 3.28Å; D77-T79 VanDerWaalsContact OD1-CA 3.32Å; D77-T79 WeakPolarHBondContact OD1-CA 3.41Å; D77-T79 WeakPolarHBondContact OD1-CB 3.32Å; D77-T79 PolarHBondContact OD1-N 2.67Å; D77-T79 VanDerWaalsContact OD1-O 3.06Å; D77-T79 PolarHBondContact OD1-OG1 3.29Å; D77-T79 PolarHBondContact OD2-OG1 3.39Å |
| 80 | I | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115.7 | 172.4 | -65.5 | 166.7 | 0 | 0 | 0 | 107.2 | L43 F48 F69 F72 D73 E84 F85 | L43-I80 HydrophobicContact CB-CB 4.35Å; L43-I80 PolarHBondContact N-O 3.49Å; L43-I80 PolarHBondContact O-N 2.81Å; F48-I80 HydrophobicContact CD2-CD1 4.05Å; F48-I80 HydrophobicContact CE2-CD1 4.07Å; F48-I80 HydrophobicContact CG-CD1 4.5Å; F69-I80 HydrophobicContact CD2-CD1 3.27Å; F69-I80 HydrophobicContact CD2-CG1 3.94Å; F69-I80 HydrophobicContact CE1-CG1 4.48Å; F69-I80 HydrophobicContact CE2-CB 4.41Å; F69-I80 HydrophobicContact CE2-CD1 3.4Å; F69-I80 VanDerWaalsContact CE2-CD1 3.4Å; F69-I80 HydrophobicContact CE2-CG1 3.57Å; F69-I80 HydrophobicContact CG-CD1 3.94Å; F69-I80 HydrophobicContact CZ-CD1 4.15Å; F69-I80 HydrophobicContact CZ-CG1 3.87Å; F72-I80 HydrophobicContact CB-CD1 3.46Å; F72-I80 VanDerWaalsContact CB-CD1 3.46Å; F72-I80 HydrophobicContact CB-CG1 3.91Å; F72-I80 HydrophobicContact CB-CG2 4.46Å; F72-I80 HydrophobicContact CD1-CD1 4.35Å; F72-I80 HydrophobicContact CG-CD1 4.18Å; D73-I80 HydrophobicContact CB-CG1 4.33Å; I80-E84 WeakPolarHBondContact CA-OE2 3.39Å; I80-E84 HydrophobicContact CG2-CB 3.97Å; I80-F85 HydrophobicContact CG2-CB 3.89Å |
| 81 | D | 90.4 | Very high | 87.2 | Confident | 54 Ų | 54 | 39.2 Ų | 39.2 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 172.7 | 171.5 | 79 | 24.5 | 0 | 0 | 0 | 111.9 | R83 E84 F85 | D81-R83 VanDerWaalsContact C-N 3.25Å; D81-R83 PolarHBondContact O-N 2.85Å; D81-R83 VanDerWaalsContact OD1-CA 3.28Å; D81-R83 WeakPolarHBondContact OD1-CA 3.33Å; D81-R83 VanDerWaalsContact OD1-CB 3.23Å; D81-R83 WeakPolarHBondContact OD1-CB 3.3Å; D81-R83 PolarHBondContact OD1-N 3.43Å; D81-E84 PolarHBondContact N-OE2 3.1Å; D81-E84 PolarHBondContact O-N 3.09Å; D81-E84 PolarHBondContact OD1-N 3.32Å; D81-F85 WeakPolarHBondContact O-CB 3.41Å; D81-F85 PolarHBondContact O-N 3.06Å |
| 82 | F | 88.8 | Confident | 87 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 5% | 0.053 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -34.2 | 179.5 | 178.5 | -107.7 | 0 | 0 | 0 | 113.3 | L8 L16 W30 Y31 F34 F85 I86 | L8-F82 HydrophobicContact CD1-CD1 4.39Å; L8-F82 HydrophobicContact CD1-CE1 3.77Å; L8-F82 HydrophobicContact CD1-CZ 4.49Å; L8-F82 HydrophobicContact CD2-CD1 3.93Å; L8-F82 HydrophobicContact CD2-CE1 4.15Å; L16-F82 HydrophobicContact CD1-CD1 4.07Å; L16-F82 HydrophobicContact CD1-CE1 3.8Å; W30-F82 HydrophobicContact CB-CE2 4.06Å; W30-F82 HydrophobicContact CB-CZ 4.1Å; Y31-F82 HydrophobicContact CD2-CB 4.08Å; Y31-F82 AromaticContact CD2-CD1 3.51Å; Y31-F82 HydrophobicContact CD2-CD1 3.51Å; Y31-F82 AromaticContact CD2-CD2 3.76Å; Y31-F82 HydrophobicContact CD2-CD2 3.76Å; Y31-F82 AromaticContact CD2-CE1 3.8Å; Y31-F82 HydrophobicContact CD2-CE1 3.8Å; Y31-F82 HydrophobicContact CD2-CE2 4.05Å; Y31-F82 AromaticContact CD2-CG 3.48Å; Y31-F82 HydrophobicContact CD2-CG 3.48Å; Y31-F82 VanDerWaalsContact CD2-CG 3.48Å; Y31-F82 HydrophobicContact CD2-CZ 4.06Å; Y31-F82 HydrophobicContact CE2-CB 4.16Å; Y31-F82 HydrophobicContact CE2-CD1 4.14Å; Y31-F82 HydrophobicContact CE2-CG 4.04Å; Y31-F82 HydrophobicContact CG-CD1 4.42Å; Y31-F82 HydrophobicContact CG-CE1 4.29Å; Y31-F82 HydrophobicContact CG-CZ 4.34Å; F34-F82 HydrophobicContact CB-CD2 3.82Å; F34-F82 HydrophobicContact CB-CE2 4.15Å; F34-F82 HydrophobicContact CD1-CB 4.19Å; F34-F82 HydrophobicContact CD1-CD2 4.05Å; F34-F82 HydrophobicContact CD2-CD2 4.31Å; F34-F82 HydrophobicContact CE1-CB 4.22Å; F34-F82 AromaticContact CG-CD2 3.81Å; F34-F82 HydrophobicContact CG-CD2 3.81Å; F82-F85 HydrophobicContact CD2-CD1 4.47Å; F82-I86 HydrophobicContact CE1-CB 4.42Å; F82-I86 HydrophobicContact CE1-CG2 4.23Å; F82-I86 HydrophobicContact CE2-CB 4.4Å; F82-I86 HydrophobicContact CZ-CB 4.17Å; F82-I86 HydrophobicContact CZ-CG1 4.26Å; F82-I86 HydrophobicContact CZ-CG2 4.47Å; F82-I86 WeakPolarHBondContact O-CB 3.39Å; F82-I86 VanDerWaalsContact O-CG2 3.26Å; F82-I86 WeakPolarHBondContact O-CG2 3.44Å; F82-I86 PolarHBondContact O-N 2.94Å |
| 83 | R | 89.3 | Confident | 86.6 | Confident | 106 Ų | 106 | 43.3 Ų | 43.3 | 40% | 0.4 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.7 | -46.8 | -179.7 | 173.4 | 173.7 | -163.2 | -67.7 | -3.8 | 110 | D15 L16 D81 I86 C87 | D15-R83 IonicContact OD2-CZ 2.57Å; D15-R83 IonicContact OD2-NE 3Å; D15-R83 PolarHBondContact OD2-NE 3.34Å; D15-R83 IonicContact OD2-NH2 3.54Å; D15-R83 PolarHBondContact OD2-NH2 2.88Å; L16-R83 HydrophobicContact CD2-CB 4.05Å; L16-R83 HydrophobicContact CD2-CG 3.72Å; D81-R83 VanDerWaalsContact C-N 3.25Å; D81-R83 PolarHBondContact O-N 2.85Å; D81-R83 VanDerWaalsContact OD1-CA 3.28Å; D81-R83 WeakPolarHBondContact OD1-CA 3.33Å; D81-R83 VanDerWaalsContact OD1-CB 3.23Å; D81-R83 WeakPolarHBondContact OD1-CB 3.3Å; D81-R83 PolarHBondContact OD1-N 3.43Å; R83-I86 WeakPolarHBondContact O-CG2 3.43Å; R83-I86 PolarHBondContact O-N 2.92Å; R83-C87 WeakPolarHBondContact O-CB 3.42Å; R83-C87 PolarHBondContact O-N 3.39Å; R83-C87 PolarHBondContact O-SG 3.45Å |
| 84 | E | 90.1 | Very high | 86.3 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 7% | 0.065 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.7 | -72.4 | 176.1 | 137.8 | 0 | 0 | 111.6 | F72 K74 N75 I80 D81 I86 A88 | F72-E84 WeakPolarHBondContact O-CB 3.33Å; K74-E84 PolarHBondContact N-OE1 2.97Å; N75-E84 PolarHBondContact N-OE1 2.92Å; I80-E84 WeakPolarHBondContact CA-OE2 3.39Å; I80-E84 HydrophobicContact CG2-CB 3.97Å; D81-E84 PolarHBondContact N-OE2 3.1Å; D81-E84 PolarHBondContact O-N 3.09Å; D81-E84 PolarHBondContact OD1-N 3.32Å; E84-I86 PolarHBondContact O-N 2.94Å; E84-A88 VanDerWaalsContact O-CB 3.28Å; E84-A88 WeakPolarHBondContact O-CB 3.28Å; E84-A88 PolarHBondContact O-N 3.02Å |
| 85 | F | 88.2 | Confident | 86 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 16% | 0.158 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.9 | -51.6 | 175.9 | 175.3 | -100.8 | 0 | 0 | 0 | 112.4 | W30 F34 F72 I80 D81 F82 L89 | W30-F85 AromaticContact CE3-CE1 3.93Å; W30-F85 HydrophobicContact CE3-CE1 3.93Å; W30-F85 HydrophobicContact CE3-CZ 4.34Å; W30-F85 HydrophobicContact CZ3-CE1 4.24Å; W30-F85 HydrophobicContact CZ3-CZ 4.19Å; F34-F85 HydrophobicContact CD2-CB 4.45Å; F34-F85 AromaticContact CD2-CD1 3.93Å; F34-F85 HydrophobicContact CD2-CD1 3.93Å; F34-F85 HydrophobicContact CD2-CE1 4.34Å; F34-F85 HydrophobicContact CD2-CG 4.05Å; F34-F85 HydrophobicContact CE2-CB 4.03Å; F34-F85 HydrophobicContact CE2-CD1 4.33Å; F34-F85 HydrophobicContact CE2-CD2 4.37Å; F34-F85 AromaticContact CE2-CG 3.98Å; F34-F85 HydrophobicContact CE2-CG 3.98Å; F72-F85 HydrophobicContact CE1-CD2 4.29Å; I80-F85 HydrophobicContact CG2-CB 3.89Å; D81-F85 WeakPolarHBondContact O-CB 3.41Å; D81-F85 PolarHBondContact O-N 3.06Å; F82-F85 HydrophobicContact CD2-CD1 4.47Å; F85-L89 HydrophobicContact CE1-CD2 4.27Å; F85-L89 HydrophobicContact CZ-CD2 4.39Å; F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 3.31Å |
| 86 | I | 88 | Confident | 86 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.8 | -33.2 | -174.2 | -160.6 | 58.2 | 0 | 0 | 0 | 112.4 | L16 T20 F22 L27 W30 F82 R83 E84 L89 S90 | L16-I86 HydrophobicContact CD1-CG2 4.35Å; L16-I86 HydrophobicContact CD2-CG2 3.71Å; T20-I86 HydrophobicContact CG2-CG2 4.29Å; F22-I86 HydrophobicContact CD2-CD1 3.73Å; F22-I86 HydrophobicContact CD2-CG1 3.93Å; F22-I86 HydrophobicContact CE2-CD1 3.67Å; F22-I86 HydrophobicContact CE2-CG1 4.23Å; F22-I86 HydrophobicContact CG-CD1 4.5Å; F22-I86 HydrophobicContact CZ-CD1 4.41Å; L27-I86 HydrophobicContact CD2-CD1 4.3Å; L27-I86 HydrophobicContact CD2-CG1 3.52Å; L27-I86 HydrophobicContact CD2-CG2 4.48Å; W30-I86 HydrophobicContact CB-CD1 3.94Å; W30-I86 HydrophobicContact CD2-CD1 4.41Å; W30-I86 HydrophobicContact CG-CD1 3.81Å; F82-I86 HydrophobicContact CE1-CB 4.42Å; F82-I86 HydrophobicContact CE1-CG2 4.23Å; F82-I86 HydrophobicContact CE2-CB 4.4Å; F82-I86 HydrophobicContact CZ-CB 4.17Å; F82-I86 HydrophobicContact CZ-CG1 4.26Å; F82-I86 HydrophobicContact CZ-CG2 4.47Å; F82-I86 WeakPolarHBondContact O-CB 3.39Å; F82-I86 VanDerWaalsContact O-CG2 3.26Å; F82-I86 WeakPolarHBondContact O-CG2 3.44Å; F82-I86 PolarHBondContact O-N 2.94Å; R83-I86 WeakPolarHBondContact O-CG2 3.43Å; R83-I86 PolarHBondContact O-N 2.92Å; E84-I86 PolarHBondContact O-N 2.94Å; I86-L89 HydrophobicContact CD1-CD2 4.11Å; I86-L89 PolarHBondContact O-N 3.37Å; I86-S90 VanDerWaalsContact O-CB 3.3Å; I86-S90 WeakPolarHBondContact O-CB 3.47Å; I86-S90 PolarHBondContact O-N 3.15Å |
| 87 | C | 87.5 | Confident | 85.7 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 172.9 | -76.3 | 0 | 0 | 0 | 0 | 111.3 | R83 S90 I91 | R83-C87 WeakPolarHBondContact O-CB 3.42Å; R83-C87 PolarHBondContact O-N 3.39Å; R83-C87 PolarHBondContact O-SG 3.45Å; C87-S90 WeakPolarHBondContact O-CB 3.31Å; C87-S90 PolarHBondContact O-N 3.07Å; C87-I91 WeakPolarHBondContact O-CG1 3.12Å; C87-I91 PolarHBondContact O-N 3.32Å; C87-I91 VanDerWaalsContact O-N 3.08Å |
| 88 | A | 85.2 | Confident | 85.5 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F72 E84 S90 I91 T92 | F72-A88 HydrophobicContact CD1-CB 3.36Å; F72-A88 HydrophobicContact CD2-CB 3.97Å; F72-A88 HydrophobicContact CE1-CB 3.38Å; F72-A88 HydrophobicContact CE2-CB 4.03Å; F72-A88 HydrophobicContact CG-CB 3.67Å; F72-A88 HydrophobicContact CZ-CB 3.73Å; E84-A88 VanDerWaalsContact O-CB 3.28Å; E84-A88 WeakPolarHBondContact O-CB 3.28Å; E84-A88 PolarHBondContact O-N 3.02Å; A88-S90 VanDerWaalsContact C-N 3.3Å; A88-S90 PolarHBondContact O-N 3.28Å; A88-I91 PolarHBondContact O-N 2.95Å; A88-T92 WeakPolarHBondContact O-CG2 3.48Å; A88-T92 PolarHBondContact O-N 3.15Å; A88-T92 PolarHBondContact O-OG1 3.42Å |
| 89 | L | 85 | Confident | 85.3 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 19% | 0.188 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -38.3 | 176.3 | -174.6 | 64.2 | 0 | 0 | 0 | 112.3 | F22 W30 F85 I86 I91 T92 S93 | F22-L89 HydrophobicContact CE2-CD2 4.45Å; F22-L89 HydrophobicContact CE2-CG 4.33Å; F22-L89 HydrophobicContact CZ-CD2 4.19Å; F22-L89 HydrophobicContact CZ-CG 4.15Å; W30-L89 HydrophobicContact CD2-CD2 4.01Å; W30-L89 HydrophobicContact CE3-CD2 4.16Å; W30-L89 HydrophobicContact CH2-CD2 3.74Å; W30-L89 HydrophobicContact CZ2-CD2 3.56Å; W30-L89 HydrophobicContact CZ3-CD2 4.03Å; F85-L89 HydrophobicContact CE1-CD2 4.27Å; F85-L89 HydrophobicContact CZ-CD2 4.39Å; F85-L89 WeakPolarHBondContact O-CB 3.41Å; F85-L89 PolarHBondContact O-N 3.31Å; I86-L89 HydrophobicContact CD1-CD2 4.11Å; I86-L89 PolarHBondContact O-N 3.37Å; L89-I91 VanDerWaalsContact C-N 3.34Å; L89-T92 PolarHBondContact O-OG1 3.26Å; L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.42Å; L89-S93 PolarHBondContact O-N 2.85Å; L89-S93 PolarHBondContact O-OG 3.25Å |
| 90 | S | 85.9 | Confident | 84.9 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | T20 E21 I86 C87 A88 R94 G95 | T20-S90 WeakPolarHBondContact CA-OG 3.36Å; E21-S90 PolarHBondContact N-OG 3.18Å; I86-S90 VanDerWaalsContact O-CB 3.3Å; I86-S90 WeakPolarHBondContact O-CB 3.47Å; I86-S90 PolarHBondContact O-N 3.15Å; C87-S90 WeakPolarHBondContact O-CB 3.31Å; C87-S90 PolarHBondContact O-N 3.07Å; A88-S90 VanDerWaalsContact C-N 3.3Å; A88-S90 PolarHBondContact O-N 3.28Å; S90-R94 CarbonylContact O-C 3.54Å; S90-R94 WeakPolarHBondContact O-CA 3.2Å; S90-R94 PolarHBondContact O-N 2.81Å; S90-G95 PolarHBondContact O-N 2.73Å |
| 91 | I | 83.4 | Confident | 84.5 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 23% | 0.226 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -49.1 | 178.7 | -66.9 | 164.3 | 0 | 0 | 0 | 111 | C87 A88 L89 S93 G95 Q99 K100 W103 | C87-I91 WeakPolarHBondContact O-CG1 3.12Å; C87-I91 PolarHBondContact O-N 3.32Å; C87-I91 VanDerWaalsContact O-N 3.08Å; A88-I91 PolarHBondContact O-N 2.95Å; L89-I91 VanDerWaalsContact C-N 3.34Å; I91-S93 PolarHBondContact O-N 2.95Å; I91-G95 VanDerWaalsContact O-CA 3.3Å; I91-G95 WeakPolarHBondContact O-CA 3.44Å; I91-G95 PolarHBondContact O-N 2.99Å; I91-G95 VanDerWaalsContact O-N 3.11Å; I91-Q99 HydrophobicContact CG2-CB 4.07Å; I91-K100 VanDerWaalsContact O-CE 3.29Å; I91-K100 WeakPolarHBondContact O-CE 3.36Å; I91-K100 WeakPolarHBondContact O-CG 3.39Å; I91-W103 HydrophobicContact CG2-CB 3.86Å; I91-W103 HydrophobicContact CG2-CG 4.23Å |
| 92 | T | 79 | Confident | 84.4 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.6 | -34.6 | -175.5 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | A88 L89 K100 W103 | A88-T92 WeakPolarHBondContact O-CG2 3.48Å; A88-T92 PolarHBondContact O-N 3.15Å; A88-T92 PolarHBondContact O-OG1 3.42Å; L89-T92 PolarHBondContact O-OG1 3.26Å; T92-K100 VanDerWaalsContact O-CE 3.26Å; T92-K100 WeakPolarHBondContact O-CE 3.45Å; T92-W103 HydrophobicContact CG2-CD2 3.89Å; T92-W103 HydrophobicContact CG2-CE3 3.94Å; T92-W103 HydrophobicContact CG2-CH2 3.79Å; T92-W103 HydrophobicContact CG2-CZ2 3.8Å; T92-W103 HydrophobicContact CG2-CZ3 3.89Å |
| 93 | S | 76.6 | Confident | 84.1 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -85.4 | -58 | -179.7 | 64.3 | 0 | 0 | 0 | 0 | 113 | L89 I91 K100 | L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.42Å; L89-S93 PolarHBondContact O-N 2.85Å; L89-S93 PolarHBondContact O-OG 3.25Å; I91-S93 PolarHBondContact O-N 2.95Å; S93-K100 PolarHBondContact O-NZ 3.45Å; S93-K100 VanDerWaalsContact O-NZ 3.15Å |
| 94 | R | 81.8 | Confident | 83.9 | Confident | 114 Ų | 114 | 44 Ų | 44 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -113.6 | -5.9 | -168.1 | -64.4 | 178.9 | -175.4 | -179.4 | 3.1 | 114.1 | E21 E26 S90 | E21-R94 HydrophobicContact CB-CB 3.65Å; E21-R94 HydrophobicContact CB-CG 4.36Å; E21-R94 HydrophobicContact CG-CB 4Å; E21-R94 PolarHBondContact O-NH1 2.93Å; E26-R94 IonicContact OE1-CZ 2.65Å; E26-R94 IonicContact OE1-NH1 3.68Å; E26-R94 PolarHBondContact OE1-NH1 3.31Å; E26-R94 IonicContact OE1-NH2 3.73Å; E26-R94 PolarHBondContact OE1-NH2 3.13Å; E26-R94 IonicContact OE2-CZ 3.2Å; E26-R94 IonicContact OE2-NH1 3.52Å; E26-R94 PolarHBondContact OE2-NH1 3.42Å; E26-R94 IonicContact OE2-NH2 3.6Å; S90-R94 CarbonylContact O-C 3.54Å; S90-R94 WeakPolarHBondContact O-CA 3.2Å; S90-R94 PolarHBondContact O-N 2.81Å |
| 95 | G | 78.1 | Confident | 83.8 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | trans | -60.4 | 155.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S90 I91 K100 | S90-G95 PolarHBondContact O-N 2.73Å; I91-G95 VanDerWaalsContact O-CA 3.3Å; I91-G95 WeakPolarHBondContact O-CA 3.44Å; I91-G95 PolarHBondContact O-N 2.99Å; I91-G95 VanDerWaalsContact O-N 3.11Å; G95-K100 WeakPolarHBondContact O-CE 3.42Å | ||
| 96 | S | 84.2 | Confident | 83.7 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 42% | 0.42 | 23% | 0.232 | S | C | . | . | trans | -61.7 | 160.5 | 173.9 | 77.3 | 0 | 0 | 0 | 0 | 111.2 | E98 Q99 K100 | S96-E98 PolarHBondContact O-N 3.2Å; S96-Q99 PolarHBondContact O-N 3.42Å; S96-Q99 VanDerWaalsContact O-N 3.12Å; S96-Q99 WeakPolarHBondContact OG-CG 3.38Å; S96-Q99 PolarHBondContact OG-N 3.46Å; S96-Q99 PolarHBondContact OG-OE1 2.91Å; S96-K100 WeakPolarHBondContact O-CG 3.49Å; S96-K100 PolarHBondContact O-N 3.16Å | ||
| 97 | F | 80.3 | Confident | 83.6 | Confident | 105 Ų | 105 | 45.3 Ų | 45.3 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -52.7 | -41.2 | 175.7 | -179.1 | -107.7 | 0 | 0 | 0 | 111.9 | K100 L101 K176 V182 | F97-K100 PolarHBondContact O-N 3.48Å; F97-L101 HydrophobicContact CD1-CD1 3.85Å; F97-L101 HydrophobicContact CD1-CG 4.47Å; F97-L101 HydrophobicContact CE1-CD1 3.36Å; F97-L101 HydrophobicContact CE1-CG 4.17Å; F97-L101 HydrophobicContact CE2-CD1 4.48Å; F97-L101 HydrophobicContact CZ-CD1 3.72Å; F97-L101 HydrophobicContact CZ-CD2 4.39Å; F97-L101 HydrophobicContact CZ-CG 4.19Å; F97-L101 WeakPolarHBondContact O-CG 3.32Å; F97-L101 PolarHBondContact O-N 2.94Å; F97-K176 HydrophobicContact CE1-CG 4.09Å; F97-V182 HydrophobicContact CE2-CG2 4.34Å; F97-V182 HydrophobicContact CZ-CG2 4.18Å |
| 98 | E | 83.7 | Confident | 83.5 | Confident | 95 Ų | 95 | 44.5 Ų | 44.5 | 44% | 0.444 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.7 | -41 | 178.4 | -176.1 | 168.9 | -170.6 | 0 | 0 | 113 | S96 K100 L101 N102 K172 | S96-E98 PolarHBondContact O-N 3.2Å; E98-K100 VanDerWaalsContact C-N 3.3Å; E98-K100 PolarHBondContact O-N 3.25Å; E98-L101 PolarHBondContact O-N 2.83Å; E98-N102 PolarHBondContact O-N 3.27Å; E98-N102 PolarHBondContact O-ND2 2.99Å; E98-K172 IonicContact OE1-NZ 2.88Å; E98-K172 PolarHBondContact OE1-NZ 2.97Å |
| 99 | Q | 83.9 | Confident | 83.7 | Confident | 82 Ų | 82 | 44.6 Ų | 44.6 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.7 | -72.5 | 172 | -50.8 | 0 | 0 | 111.2 | I91 S96 N102 W103 | I91-Q99 HydrophobicContact CG2-CB 4.07Å; S96-Q99 PolarHBondContact O-N 3.42Å; S96-Q99 VanDerWaalsContact O-N 3.12Å; S96-Q99 WeakPolarHBondContact OG-CG 3.38Å; S96-Q99 PolarHBondContact OG-N 3.46Å; S96-Q99 PolarHBondContact OG-OE1 2.91Å; Q99-N102 PolarHBondContact O-N 3.36Å; Q99-W103 WeakPolarHBondContact O-CB 3.46Å; Q99-W103 PolarHBondContact O-N 3.31Å |
| 100 | K | 83.3 | Confident | 83.8 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 30% | 0.296 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64 | -40.3 | 175.6 | -70.9 | 177.3 | 176.9 | -178.8 | 0 | 111.9 | I91 T92 S93 G95 S96 F97 E98 W103 A104 | I91-K100 VanDerWaalsContact O-CE 3.29Å; I91-K100 WeakPolarHBondContact O-CE 3.36Å; I91-K100 WeakPolarHBondContact O-CG 3.39Å; T92-K100 VanDerWaalsContact O-CE 3.26Å; T92-K100 WeakPolarHBondContact O-CE 3.45Å; S93-K100 PolarHBondContact O-NZ 3.45Å; S93-K100 VanDerWaalsContact O-NZ 3.15Å; G95-K100 WeakPolarHBondContact O-CE 3.42Å; S96-K100 WeakPolarHBondContact O-CG 3.49Å; S96-K100 PolarHBondContact O-N 3.16Å; F97-K100 PolarHBondContact O-N 3.48Å; E98-K100 VanDerWaalsContact C-N 3.3Å; E98-K100 PolarHBondContact O-N 3.25Å; K100-W103 PolarHBondContact O-N 3.48Å; K100-A104 WeakPolarHBondContact O-CB 3.41Å; K100-A104 PolarHBondContact O-N 2.92Å |
| 101 | L | 82.9 | Confident | 83.9 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 175.3 | -73.6 | 178.8 | 0 | 0 | 0 | 112.7 | F97 E98 W103 A104 F105 F171 K172 A175 V182 | F97-L101 HydrophobicContact CD1-CD1 3.85Å; F97-L101 HydrophobicContact CD1-CG 4.47Å; F97-L101 HydrophobicContact CE1-CD1 3.36Å; F97-L101 HydrophobicContact CE1-CG 4.17Å; F97-L101 HydrophobicContact CE2-CD1 4.48Å; F97-L101 HydrophobicContact CZ-CD1 3.72Å; F97-L101 HydrophobicContact CZ-CD2 4.39Å; F97-L101 HydrophobicContact CZ-CG 4.19Å; F97-L101 WeakPolarHBondContact O-CG 3.32Å; F97-L101 PolarHBondContact O-N 2.94Å; E98-L101 PolarHBondContact O-N 2.83Å; L101-W103 VanDerWaalsContact C-N 3.28Å; L101-W103 PolarHBondContact O-N 3.08Å; L101-A104 PolarHBondContact O-N 3.19Å; L101-F105 WeakPolarHBondContact O-CB 3.25Å; L101-F105 PolarHBondContact O-N 3.33Å; L101-F171 HydrophobicContact CB-CE1 4.4Å; L101-F171 HydrophobicContact CD2-CE1 3.92Å; L101-K172 HydrophobicContact CD1-CG 4.42Å; L101-A175 HydrophobicContact CD1-CB 3.78Å; L101-A175 HydrophobicContact CD2-CB 3.51Å; L101-A175 HydrophobicContact CG-CB 4.32Å; L101-V182 HydrophobicContact CD2-CG2 4.31Å |
| 102 | N | 86.5 | Confident | 84 | Confident | 46 Ų | 46 | 50 Ų | 50 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 175.4 | -70.3 | -27 | 0 | 0 | 0 | 111.1 | E98 Q99 F105 N106 K172 | E98-N102 PolarHBondContact O-N 3.27Å; E98-N102 PolarHBondContact O-ND2 2.99Å; Q99-N102 PolarHBondContact O-N 3.36Å; N102-F105 PolarHBondContact O-N 2.95Å; N102-N106 PolarHBondContact O-N 3.33Å; N102-N106 VanDerWaalsContact O-N 3.09Å; N102-N106 PolarHBondContact O-ND2 3.3Å; N102-K172 WeakPolarHBondContact OD1-CE 3.34Å; N102-K172 PolarHBondContact OD1-NZ 3.01Å |
| 103 | W | 84.3 | Confident | 84.5 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 177.6 | -176.9 | 83.9 | 0 | 0 | 0 | 112 | F72 I91 T92 Q99 K100 L101 N106 M107 | F72-W103 HydrophobicContact CD2-CZ2 4.4Å; F72-W103 AromaticContact CE2-CZ2 3.81Å; F72-W103 HydrophobicContact CE2-CZ2 3.81Å; I91-W103 HydrophobicContact CG2-CB 3.86Å; I91-W103 HydrophobicContact CG2-CG 4.23Å; T92-W103 HydrophobicContact CG2-CD2 3.89Å; T92-W103 HydrophobicContact CG2-CE3 3.94Å; T92-W103 HydrophobicContact CG2-CH2 3.79Å; T92-W103 HydrophobicContact CG2-CZ2 3.8Å; T92-W103 HydrophobicContact CG2-CZ3 3.89Å; Q99-W103 WeakPolarHBondContact O-CB 3.46Å; Q99-W103 PolarHBondContact O-N 3.31Å; K100-W103 PolarHBondContact O-N 3.48Å; L101-W103 VanDerWaalsContact C-N 3.28Å; L101-W103 PolarHBondContact O-N 3.08Å; W103-N106 PolarHBondContact O-N 3.47Å; W103-M107 HydrophobicContact CH2-CE 3.15Å; W103-M107 HydrophobicContact CH2-SD 4.36Å; W103-M107 HydrophobicContact CZ2-CE 3.52Å; W103-M107 HydrophobicContact CZ3-CE 3.78Å; W103-M107 HydrophobicContact CZ3-SD 4.49Å; W103-M107 PolarHBondContact O-N 2.62Å |
| 104 | A | 83.9 | Confident | 85.2 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | K100 L101 N106 M107 Y108 F171 | K100-A104 WeakPolarHBondContact O-CB 3.41Å; K100-A104 PolarHBondContact O-N 2.92Å; L101-A104 PolarHBondContact O-N 3.19Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 3.28Å; A104-M107 WeakPolarHBondContact O-CA 3.43Å; A104-M107 VanDerWaalsContact O-CB 3.25Å; A104-M107 WeakPolarHBondContact O-CB 3.42Å; A104-M107 PolarHBondContact O-N 2.96Å; A104-Y108 WeakPolarHBondContact O-CD2 3.27Å; A104-Y108 PolarHBondContact O-N 2.89Å; A104-F171 HydrophobicContact CB-CE1 4.38Å; A104-F171 HydrophobicContact CB-CZ 4.22Å |
| 105 | F | 87.4 | Confident | 85.7 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.9 | -50.3 | 176.5 | -176.5 | -87.8 | 0 | 0 | 0 | 111.6 | L101 N102 M107 Y108 D109 G114 I116 L168 F171 | L101-F105 WeakPolarHBondContact O-CB 3.25Å; L101-F105 PolarHBondContact O-N 3.33Å; N102-F105 PolarHBondContact O-N 2.95Å; F105-M107 PolarHBondContact O-N 3.47Å; F105-M107 VanDerWaalsContact O-N 3.13Å; F105-Y108 PolarHBondContact O-N 2.9Å; F105-D109 HydrophobicContact CD1-CB 4.28Å; F105-D109 HydrophobicContact CE1-CB 3.94Å; F105-D109 PolarHBondContact O-N 2.89Å; F105-G114 VanDerWaalsContact CZ-O 3.29Å; F105-G114 WeakPolarHBondContact CZ-O 3.43Å; F105-I116 HydrophobicContact CD2-CD1 3.36Å; F105-I116 HydrophobicContact CD2-CG1 4.08Å; F105-I116 HydrophobicContact CE2-CD1 3.37Å; F105-I116 HydrophobicContact CE2-CG1 3.64Å; F105-I116 HydrophobicContact CG-CD1 4.1Å; F105-I116 HydrophobicContact CZ-CD1 4.1Å; F105-I116 HydrophobicContact CZ-CG1 3.88Å; F105-L168 HydrophobicContact CB-CD1 3.66Å; F105-L168 HydrophobicContact CD1-CB 4.47Å; F105-L168 HydrophobicContact CD1-CD1 3.92Å; F105-L168 HydrophobicContact CD2-CB 4.27Å; F105-L168 HydrophobicContact CD2-CD1 3.77Å; F105-L168 HydrophobicContact CE1-CB 4.3Å; F105-L168 VanDerWaalsContact CE2-CA 3.5Å; F105-L168 HydrophobicContact CE2-CB 4.09Å; F105-L168 HydrophobicContact CE2-CD1 4.44Å; F105-L168 HydrophobicContact CG-CB 4.46Å; F105-L168 HydrophobicContact CG-CD1 3.48Å; F105-L168 VanDerWaalsContact CG-CD1 3.48Å; F105-L168 HydrophobicContact CZ-CB 4.11Å; F105-F171 HydrophobicContact CB-CD1 4.18Å; F105-F171 HydrophobicContact CB-CE1 4.21Å; F105-F171 HydrophobicContact CD2-CB 3.73Å; F105-F171 HydrophobicContact CD2-CD1 4.11Å; F105-F171 HydrophobicContact CD2-CD2 4.15Å; F105-F171 AromaticContact CD2-CG 3.76Å; F105-F171 HydrophobicContact CD2-CG 3.76Å; F105-F171 HydrophobicContact CE2-CB 4.15Å |
| 106 | N | 86.6 | Confident | 86.3 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 34% | 0.337 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -19.6 | 178.3 | -64.4 | -18.5 | 0 | 0 | 0 | 113.9 | R70 T71 N102 W103 A104 | R70-N106 PolarHBondContact NH2-O 3.19Å; T71-N106 HydrophobicContact CG2-CB 4.45Å; T71-N106 WeakPolarHBondContact CG2-O 3.43Å; N102-N106 PolarHBondContact O-N 3.33Å; N102-N106 VanDerWaalsContact O-N 3.09Å; N102-N106 PolarHBondContact O-ND2 3.3Å; W103-N106 PolarHBondContact O-N 3.47Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 3.28Å |
| 107 | M | 85.7 | Confident | 86.8 | Confident | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.059 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.3 | -36.7 | 172.5 | -178.9 | 172.2 | -77 | 0 | 0 | 111.5 | F64 A68 R70 T71 W103 A104 F105 I124 | F64-M107 HydrophobicContact CE2-SD 3.89Å; F64-M107 HydrophobicContact CZ-CE 4.2Å; F64-M107 HydrophobicContact CZ-SD 3.94Å; A68-M107 HydrophobicContact CB-CE 4.04Å; R70-M107 PolarHBondContact NH2-O 2.98Å; T71-M107 VanDerWaalsContact CG2-CA 3.5Å; T71-M107 HydrophobicContact CG2-CB 3.92Å; W103-M107 HydrophobicContact CH2-CE 3.15Å; W103-M107 HydrophobicContact CH2-SD 4.36Å; W103-M107 HydrophobicContact CZ2-CE 3.52Å; W103-M107 HydrophobicContact CZ3-CE 3.78Å; W103-M107 HydrophobicContact CZ3-SD 4.49Å; W103-M107 PolarHBondContact O-N 2.62Å; A104-M107 WeakPolarHBondContact O-CA 3.43Å; A104-M107 VanDerWaalsContact O-CB 3.25Å; A104-M107 WeakPolarHBondContact O-CB 3.42Å; A104-M107 PolarHBondContact O-N 2.96Å; F105-M107 PolarHBondContact O-N 3.47Å; F105-M107 VanDerWaalsContact O-N 3.13Å; M107-I124 WeakPolarHBondContact O-CD1 3.33Å |
| 108 | Y | 86.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -80.5 | -39.7 | 178.2 | -72.9 | -81.9 | 0 | 0 | 0 | 112.9 | A104 F105 L110 I116 E120 M121 I124 L185 | A104-Y108 WeakPolarHBondContact O-CD2 3.27Å; A104-Y108 PolarHBondContact O-N 2.89Å; F105-Y108 PolarHBondContact O-N 2.9Å; Y108-L110 PolarHBondContact O-N 2.8Å; Y108-I116 HydrophobicContact CG-CD1 4.42Å; Y108-E120 WeakPolarHBondContact O-CB 3.39Å; Y108-M121 HydrophobicContact CD1-CG 4.25Å; Y108-M121 HydrophobicContact CE1-CG 4.4Å; Y108-I124 HydrophobicContact CD1-CB 3.79Å; Y108-I124 HydrophobicContact CD1-CG1 4.01Å; Y108-I124 HydrophobicContact CD1-CG2 3.78Å; Y108-I124 HydrophobicContact CE1-CB 3.82Å; Y108-I124 HydrophobicContact CE1-CG1 4.49Å; Y108-I124 HydrophobicContact CE1-CG2 3.4Å; Y108-I124 VanDerWaalsContact CE1-CG2 3.4Å; Y108-L185 HydrophobicContact CD2-CD2 4.2Å; Y108-L185 HydrophobicContact CE1-CD2 4.13Å; Y108-L185 HydrophobicContact CE2-CB 4.41Å; Y108-L185 HydrophobicContact CE2-CD2 3.48Å; Y108-L185 VanDerWaalsContact CE2-CD2 3.48Å; Y108-L185 HydrophobicContact CE2-CG 4.5Å; Y108-L185 VanDerWaalsContact CZ-CD2 3.43Å; Y108-L185 WeakPolarHBondContact OH-CD2 3.39Å; Y108-L185 PolarHBondContact OH-O 3.38Å |
| 109 | D | 89.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | trans | -67.8 | 106.2 | 173.7 | 177.2 | -2.9 | 0 | 0 | 0 | 109.1 | R70 F105 G112 D113 G114 I116 | R70-D109 PolarHBondContact NH2-O 3.08Å; F105-D109 HydrophobicContact CD1-CB 4.28Å; F105-D109 HydrophobicContact CE1-CB 3.94Å; F105-D109 PolarHBondContact O-N 2.89Å; D109-G112 WeakPolarHBondContact OD1-CA 3.45Å; D109-G112 PolarHBondContact OD1-N 3.32Å; D109-G112 WeakPolarHBondContact OD2-CA 3.47Å; D109-D113 PolarHBondContact OD1-N 3.44Å; D109-G114 WeakPolarHBondContact OD2-CA 3.44Å; D109-G114 PolarHBondContact OD2-N 2.88Å; D109-I116 HydrophobicContact CB-CG1 4.23Å | ||
| 110 | L | 86.4 | Confident | 87.9 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 16% | 0.162 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -86.8 | -36.7 | -170.5 | -60.2 | -173.4 | 0 | 0 | 0 | 113.4 | R70 Y108 E120 E123 I124 | R70-L110 VanDerWaalsContact CZ-CA 3.49Å; R70-L110 PolarHBondContact NH1-O 3.41Å; Y108-L110 PolarHBondContact O-N 2.8Å; L110-E120 WeakPolarHBondContact CA-OE1 3.34Å; L110-E120 HydrophobicContact CB-CB 4.5Å; L110-E120 HydrophobicContact CB-CG 3.89Å; L110-E120 WeakPolarHBondContact CB-OE1 3.46Å; L110-E120 HydrophobicContact CD1-CB 4.12Å; L110-E120 HydrophobicContact CD1-CG 3.95Å; L110-E120 HydrophobicContact CG-CB 3.86Å; L110-E120 HydrophobicContact CG-CG 3.75Å; L110-E120 PolarHBondContact N-OE1 3.37Å; L110-E123 HydrophobicContact CD1-CB 4.08Å; L110-E123 HydrophobicContact CD1-CG 4.13Å; L110-E123 WeakPolarHBondContact CD1-OE1 3.27Å; L110-I124 HydrophobicContact CD2-CD1 3.69Å; L110-I124 HydrophobicContact CD2-CG1 4.03Å |
| 111 | D | 87.8 | Confident | 88.2 | Confident | 109 Ų | 109 | 42.5 Ų | 42.5 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -94.6 | -9.9 | -178.8 | 66.7 | 12.6 | 0 | 0 | 0 | 113.5 | D113 E120 | D111-D113 VanDerWaalsContact OD1-CB 3.28Å; D111-D113 WeakPolarHBondContact OD1-CB 3.27Å; D111-D113 VanDerWaalsContact OD1-CG 3.29Å; D111-D113 PolarHBondContact OD1-N 3.22Å; D111-E120 PolarHBondContact N-OE1 2.87Å |
| 112 | G | 86.3 | Confident | 88.5 | Confident | 59 Ų | 59 | 43.9 Ų | 43.9 | 61% | 0.608 | 24% | 0.243 | S | C | * | . | trans | 77.1 | 21.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D109 G114 | D109-G112 WeakPolarHBondContact OD1-CA 3.45Å; D109-G112 PolarHBondContact OD1-N 3.32Å; D109-G112 WeakPolarHBondContact OD2-CA 3.47Å; G112-G114 PolarHBondContact O-N 2.93Å | ||
| 113 | D | 89.5 | Confident | 88.6 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 43% | 0.433 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -77.1 | -4.7 | -179 | 84.8 | -13.6 | 0 | 0 | 0 | 113.5 | D109 D111 K115 | D109-D113 PolarHBondContact OD1-N 3.44Å; D111-D113 VanDerWaalsContact OD1-CB 3.28Å; D111-D113 WeakPolarHBondContact OD1-CB 3.27Å; D111-D113 VanDerWaalsContact OD1-CG 3.29Å; D111-D113 PolarHBondContact OD1-N 3.22Å; D113-K115 WeakPolarHBondContact OD1-CA 3.4Å; D113-K115 VanDerWaalsContact OD1-CB 3.28Å; D113-K115 WeakPolarHBondContact OD1-CB 3.29Å; D113-K115 PolarHBondContact OD1-N 2.72Å |
| 114 | G | 89.9 | Confident | 88.6 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 37% | 0.371 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 85.9 | 13.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F105 D109 G112 | F105-G114 VanDerWaalsContact CZ-O 3.29Å; F105-G114 WeakPolarHBondContact CZ-O 3.43Å; D109-G114 WeakPolarHBondContact OD2-CA 3.44Å; D109-G114 PolarHBondContact OD2-N 2.88Å; G112-G114 PolarHBondContact O-N 2.93Å |
| 115 | K | 92.6 | Very high | 88.6 | Confident | 72 Ų | 72 | 42.5 Ų | 42.5 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 160.5 | 177.6 | -53.8 | 178.3 | 177.8 | -176.2 | 0 | 109.8 | D113 E165 I166 | D113-K115 WeakPolarHBondContact OD1-CA 3.4Å; D113-K115 VanDerWaalsContact OD1-CB 3.28Å; D113-K115 WeakPolarHBondContact OD1-CB 3.29Å; D113-K115 PolarHBondContact OD1-N 2.72Å; K115-E165 HydrophobicContact CB-CB 4.47Å; K115-E165 HydrophobicContact CD-CB 4.29Å; K115-E165 VanDerWaalsContact CD-OE2 3.24Å; K115-E165 WeakPolarHBondContact CD-OE2 3.47Å; K115-E165 WeakPolarHBondContact CE-OE2 3.24Å; K115-E165 IonicContact NZ-OE1 2.93Å; K115-E165 IonicContact NZ-OE2 2.72Å; K115-E165 PolarHBondContact NZ-OE2 3.39Å; K115-I166 CarbonylContact C-O 3.6Å; K115-I166 WeakPolarHBondContact CA-O 3.42Å |
| 116 | I | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 112.3 | 174.3 | -59.1 | 163.2 | 0 | 0 | 0 | 107.8 | F105 Y108 D109 E120 M121 F155 I166 F171 | F105-I116 HydrophobicContact CD2-CD1 3.36Å; F105-I116 HydrophobicContact CD2-CG1 4.08Å; F105-I116 HydrophobicContact CE2-CD1 3.37Å; F105-I116 HydrophobicContact CE2-CG1 3.64Å; F105-I116 HydrophobicContact CG-CD1 4.1Å; F105-I116 HydrophobicContact CZ-CD1 4.1Å; F105-I116 HydrophobicContact CZ-CG1 3.88Å; Y108-I116 HydrophobicContact CG-CD1 4.42Å; D109-I116 HydrophobicContact CB-CG1 4.23Å; I116-E120 HydrophobicContact CG2-CB 4.5Å; I116-M121 HydrophobicContact CG2-CB 4.05Å; I116-M121 HydrophobicContact CG2-CE 4.02Å; I116-F155 WeakPolarHBondContact O-CZ 3.28Å; I116-I166 HydrophobicContact CB-CB 4.29Å; I116-I166 PolarHBondContact N-O 3.2Å; I116-I166 PolarHBondContact O-N 3.2Å; I116-F171 HydrophobicContact CD1-CD2 4.05Å; I116-F171 HydrophobicContact CD1-CE2 4.28Å |
| 117 | T | 93.1 | Very high | 88.2 | Confident | 37 Ų | 37 | 42.9 Ų | 42.9 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 161.6 | 173.3 | 67.9 | 0 | 0 | 0 | 0 | 111.2 | M119 E120 M121 | T117-M119 PolarHBondContact O-N 3.31Å; T117-E120 WeakPolarHBondContact CB-OE2 3.43Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.49Å; T117-E120 PolarHBondContact N-OE2 3Å; T117-E120 PolarHBondContact O-N 2.8Å; T117-E120 WeakPolarHBondContact OG1-CG 3.29Å; T117-E120 PolarHBondContact OG1-N 2.91Å; T117-E120 PolarHBondContact OG1-OE2 3.26Å; T117-M121 PolarHBondContact O-N 3.05Å |
| 118 | R | 90.9 | Very high | 87.8 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 30% | 0.302 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.8 | -36.6 | 175.2 | -70.5 | 180 | 173.3 | -101.5 | 2.3 | 113.2 | L122 V151 D152 F155 D164 | R118-L122 VanDerWaalsContact O-CB 3.3Å; R118-L122 WeakPolarHBondContact O-CB 3.3Å; R118-L122 PolarHBondContact O-N 3.26Å; R118-V151 HydrophobicContact CB-CG1 4.33Å; R118-V151 HydrophobicContact CG-CG1 4.44Å; R118-D152 IonicContact NH1-OD1 2.63Å; R118-D152 PolarHBondContact NH1-OD1 3.28Å; R118-F155 HydrophobicContact CB-CE2 4.32Å; R118-F155 HydrophobicContact CB-CZ 4.21Å; R118-F155 HydrophobicContact CG-CD1 3.81Å; R118-F155 HydrophobicContact CG-CD2 4.01Å; R118-F155 HydrophobicContact CG-CE1 3.6Å; R118-F155 HydrophobicContact CG-CE2 3.8Å; R118-F155 HydrophobicContact CG-CG 4.01Å; R118-F155 HydrophobicContact CG-CZ 3.6Å; R118-D164 IonicContact CZ-OD1 2.82Å; R118-D164 VanDerWaalsContact CZ-OD1 3.26Å; R118-D164 IonicContact NE-OD1 2.75Å; R118-D164 PolarHBondContact NE-OD1 3.22Å; R118-D164 IonicContact NH2-OD1 2.74Å; R118-D164 PolarHBondContact NH2-OD1 3.5Å |
| 119 | M | 90.5 | Very high | 87.3 | Confident | 161 Ų | 161 | 44.3 Ų | 44.3 | 79% | 0.793 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68.6 | -42.8 | -178.6 | -61.6 | -164.3 | -147.3 | 0 | 0 | 111 | T117 L122 E123 | T117-M119 PolarHBondContact O-N 3.31Å; M119-L122 PolarHBondContact O-N 3.21Å; M119-E123 PolarHBondContact O-N 2.68Å |
| 120 | E | 91.1 | Very high | 86.7 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 177.8 | -70.3 | 174.2 | 122.5 | 0 | 0 | 111.9 | Y108 L110 D111 I116 T117 L122 E123 I124 | Y108-E120 WeakPolarHBondContact O-CB 3.39Å; L110-E120 WeakPolarHBondContact CA-OE1 3.34Å; L110-E120 HydrophobicContact CB-CB 4.5Å; L110-E120 HydrophobicContact CB-CG 3.89Å; L110-E120 WeakPolarHBondContact CB-OE1 3.46Å; L110-E120 HydrophobicContact CD1-CB 4.12Å; L110-E120 HydrophobicContact CD1-CG 3.95Å; L110-E120 HydrophobicContact CG-CB 3.86Å; L110-E120 HydrophobicContact CG-CG 3.75Å; L110-E120 PolarHBondContact N-OE1 3.37Å; D111-E120 PolarHBondContact N-OE1 2.87Å; I116-E120 HydrophobicContact CG2-CB 4.5Å; T117-E120 WeakPolarHBondContact CB-OE2 3.43Å; T117-E120 WeakPolarHBondContact CG2-OE2 3.49Å; T117-E120 PolarHBondContact N-OE2 3Å; T117-E120 PolarHBondContact O-N 2.8Å; T117-E120 WeakPolarHBondContact OG1-CG 3.29Å; T117-E120 PolarHBondContact OG1-N 2.91Å; T117-E120 PolarHBondContact OG1-OE2 3.26Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.97Å; E120-E123 PolarHBondContact O-N 2.82Å; E120-I124 PolarHBondContact O-N 2.77Å; E120-I124 VanDerWaalsContact O-N 3.15Å |
| 121 | M | 88.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 175.5 | -171.2 | 173.7 | -72.3 | 0 | 0 | 111.8 | Y108 I116 T117 E123 I124 I125 V151 I154 F155 I166 | Y108-M121 HydrophobicContact CD1-CG 4.25Å; Y108-M121 HydrophobicContact CE1-CG 4.4Å; I116-M121 HydrophobicContact CG2-CB 4.05Å; I116-M121 HydrophobicContact CG2-CE 4.02Å; T117-M121 PolarHBondContact O-N 3.05Å; M121-E123 VanDerWaalsContact C-N 3.35Å; M121-I124 PolarHBondContact O-N 3.09Å; M121-I125 HydrophobicContact CG-CD1 3.85Å; M121-I125 HydrophobicContact CG-CG1 4.44Å; M121-I125 WeakPolarHBondContact O-CB 3.18Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.35Å; M121-I125 PolarHBondContact O-N 3.42Å; M121-I125 HydrophobicContact SD-CD1 4.48Å; M121-V151 HydrophobicContact CB-CG1 4.38Å; M121-V151 HydrophobicContact CB-CG2 4.43Å; M121-V151 HydrophobicContact CG-CG1 4.47Å; M121-V151 HydrophobicContact CG-CG2 4.13Å; M121-V151 HydrophobicContact SD-CG1 4.29Å; M121-I154 HydrophobicContact CE-CG2 3.68Å; M121-I154 HydrophobicContact SD-CB 3.81Å; M121-I154 HydrophobicContact SD-CD1 3.9Å; M121-I154 HydrophobicContact SD-CG1 4.48Å; M121-I154 HydrophobicContact SD-CG2 3.51Å; M121-I154 VanDerWaalsContact SD-CG2 3.51Å; M121-F155 HydrophobicContact CB-CE2 3.97Å; M121-F155 HydrophobicContact CE-CD2 4.35Å; M121-F155 HydrophobicContact CE-CE2 3.79Å; M121-F155 HydrophobicContact CG-CE2 4.39Å; M121-F155 HydrophobicContact SD-CD2 3.85Å; M121-F155 HydrophobicContact SD-CE2 3.58Å; M121-F155 VanDerWaalsContact SD-CE2 3.58Å; M121-I166 HydrophobicContact CE-CD1 3.62Å |
| 122 | L | 88.1 | Confident | 85.1 | Confident | 37 Ų | 37 | 43 Ų | 43 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.8 | -177.3 | 62.9 | 0 | 0 | 0 | 111.4 | R118 M119 E120 I124 I125 E126 P147 Q148 V151 | R118-L122 VanDerWaalsContact O-CB 3.3Å; R118-L122 WeakPolarHBondContact O-CB 3.3Å; R118-L122 PolarHBondContact O-N 3.26Å; M119-L122 PolarHBondContact O-N 3.21Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.97Å; L122-I124 PolarHBondContact O-N 2.83Å; L122-I125 PolarHBondContact O-N 2.88Å; L122-E126 HydrophobicContact CD1-CG 4.22Å; L122-E126 HydrophobicContact CG-CG 4.36Å; L122-E126 WeakPolarHBondContact O-CB 3.36Å; L122-E126 WeakPolarHBondContact O-CG 3.42Å; L122-E126 PolarHBondContact O-N 3.45Å; L122-P147 HydrophobicContact CD1-CB 3.69Å; L122-Q148 HydrophobicContact CD1-CG 3.87Å; L122-Q148 HydrophobicContact CD2-CG 4.18Å; L122-V151 HydrophobicContact CB-CG2 3.98Å; L122-V151 HydrophobicContact CD1-CG2 3.99Å |
| 123 | E | 88.7 | Confident | 84 | Confident | 76 Ų | 76 | 40.9 Ų | 40.9 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.5 | -44.6 | -179.4 | -177.1 | 166.1 | 126.6 | 0 | 0 | 112.1 | H67 L110 M119 E120 M121 E126 A127 | H67-E123 IonicContact CE1-OE1 2.71Å; H67-E123 PolarHBondContact CE1-OE1 3.39Å; H67-E123 IonicContact NE2-OE1 3.26Å; L110-E123 HydrophobicContact CD1-CB 4.08Å; L110-E123 HydrophobicContact CD1-CG 4.13Å; L110-E123 WeakPolarHBondContact CD1-OE1 3.27Å; M119-E123 PolarHBondContact O-N 2.68Å; E120-E123 PolarHBondContact O-N 2.82Å; M121-E123 VanDerWaalsContact C-N 3.35Å; E123-E126 PolarHBondContact O-N 2.95Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.38Å |
| 124 | I | 85.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -45.5 | 175.6 | -64.8 | -54.9 | 0 | 0 | 0 | 111.5 | H67 M107 Y108 L110 E120 M121 L122 E126 A127 I128 | H67-I124 HydrophobicContact CB-CD1 3.64Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.46Å; M107-I124 WeakPolarHBondContact O-CD1 3.33Å; Y108-I124 HydrophobicContact CD1-CB 3.79Å; Y108-I124 HydrophobicContact CD1-CG1 4.01Å; Y108-I124 HydrophobicContact CD1-CG2 3.78Å; Y108-I124 HydrophobicContact CE1-CB 3.82Å; Y108-I124 HydrophobicContact CE1-CG1 4.49Å; Y108-I124 HydrophobicContact CE1-CG2 3.4Å; Y108-I124 VanDerWaalsContact CE1-CG2 3.4Å; L110-I124 HydrophobicContact CD2-CD1 3.69Å; L110-I124 HydrophobicContact CD2-CG1 4.03Å; E120-I124 PolarHBondContact O-N 2.77Å; E120-I124 VanDerWaalsContact O-N 3.15Å; M121-I124 PolarHBondContact O-N 3.09Å; L122-I124 PolarHBondContact O-N 2.83Å; I124-E126 VanDerWaalsContact C-N 3.32Å; I124-E126 PolarHBondContact O-N 3.39Å; I124-A127 WeakPolarHBondContact O-CB 3.45Å; I124-A127 PolarHBondContact O-N 3.43Å; I124-A127 VanDerWaalsContact O-N 3.16Å; I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 HydrophobicContact CG2-CG1 4.38Å; I124-I128 VanDerWaalsContact O-CG1 3.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.47Å; I124-I128 PolarHBondContact O-N 3.28Å |
| 125 | I | 82.1 | Confident | 80.3 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 179.3 | -71 | 177.2 | 0 | 0 | 0 | 110.3 | M121 L122 A127 I128 Y129 P147 R150 V151 I154 | M121-I125 HydrophobicContact CG-CD1 3.85Å; M121-I125 HydrophobicContact CG-CG1 4.44Å; M121-I125 WeakPolarHBondContact O-CB 3.18Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.35Å; M121-I125 PolarHBondContact O-N 3.42Å; M121-I125 HydrophobicContact SD-CD1 4.48Å; L122-I125 PolarHBondContact O-N 2.88Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.27Å; I125-I128 PolarHBondContact O-N 2.88Å; I125-Y129 HydrophobicContact CG2-CD2 3.83Å; I125-Y129 HydrophobicContact CG2-CE2 3.36Å; I125-Y129 WeakPolarHBondContact O-CD2 3.41Å; I125-Y129 PolarHBondContact O-N 3.42Å; I125-P147 HydrophobicContact CG2-CB 3.97Å; I125-R150 HydrophobicContact CD1-CG 4.36Å; I125-V151 HydrophobicContact CD1-CG2 3.73Å; I125-I154 HydrophobicContact CD1-CD1 3.89Å |
| 126 | E | 83.1 | Confident | 78.4 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 34% | 0.341 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 174.7 | -75.1 | -172.1 | 171.4 | 0 | 0 | 112.7 | L122 E123 I124 Y129 K130 P147 | L122-E126 HydrophobicContact CD1-CG 4.22Å; L122-E126 HydrophobicContact CG-CG 4.36Å; L122-E126 WeakPolarHBondContact O-CB 3.36Å; L122-E126 WeakPolarHBondContact O-CG 3.42Å; L122-E126 PolarHBondContact O-N 3.45Å; E123-E126 PolarHBondContact O-N 2.95Å; I124-E126 VanDerWaalsContact C-N 3.32Å; I124-E126 PolarHBondContact O-N 3.39Å; E126-Y129 PolarHBondContact O-N 2.91Å; E126-K130 WeakPolarHBondContact O-CG 3.15Å; E126-K130 PolarHBondContact O-N 3.45Å; E126-P147 HydrophobicContact CG-CB 4.11Å; E126-P147 HydrophobicContact CG-CG 4.33Å |
| 127 | A | 83.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K63 F64 E123 I124 I125 Y129 K130 M131 | K63-A127 HydrophobicContact CB-CB 3.82Å; F64-A127 HydrophobicContact CB-CB 4.32Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.38Å; I124-A127 WeakPolarHBondContact O-CB 3.45Å; I124-A127 PolarHBondContact O-N 3.43Å; I124-A127 VanDerWaalsContact O-N 3.16Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.27Å; A127-Y129 VanDerWaalsContact C-N 3.33Å; A127-Y129 PolarHBondContact O-N 2.97Å; A127-K130 PolarHBondContact O-N 3.01Å; A127-M131 WeakPolarHBondContact O-CB 3.47Å; A127-M131 PolarHBondContact O-N 3.39Å |
| 128 | I | 77.9 | Confident | 74.5 | Confident | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.087 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.5 | -67.2 | 167.7 | 0 | 0 | 0 | 110.5 | F64 I124 I125 K130 M131 V132 C187 | F64-I128 HydrophobicContact CD2-CG1 3.63Å; F64-I128 HydrophobicContact CE2-CD1 4.22Å; F64-I128 HydrophobicContact CE2-CG1 3.73Å; I124-I128 HydrophobicContact CG2-CD1 3.81Å; I124-I128 HydrophobicContact CG2-CG1 4.38Å; I124-I128 VanDerWaalsContact O-CG1 3.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.47Å; I124-I128 PolarHBondContact O-N 3.28Å; I125-I128 PolarHBondContact O-N 2.88Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.15Å; I128-M131 PolarHBondContact O-N 2.69Å; I128-V132 HydrophobicContact CG2-CG2 4.17Å; I128-V132 WeakPolarHBondContact O-CB 3.08Å; I128-V132 WeakPolarHBondContact O-CG2 3.34Å; I128-V132 PolarHBondContact O-N 2.96Å; I128-C187 HydrophobicContact CG2-CB 3.79Å; I128-C187 WeakPolarHBondContact CG2-SG 2.96Å |
| 129 | Y | 75.6 | Confident | 72.5 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 178.9 | -84.1 | -138.9 | 0 | 0 | 0 | 111.8 | I125 E126 A127 G133 M137 P147 R150 | I125-Y129 HydrophobicContact CG2-CD2 3.83Å; I125-Y129 HydrophobicContact CG2-CE2 3.36Å; I125-Y129 WeakPolarHBondContact O-CD2 3.41Å; I125-Y129 PolarHBondContact O-N 3.42Å; E126-Y129 PolarHBondContact O-N 2.91Å; A127-Y129 VanDerWaalsContact C-N 3.33Å; A127-Y129 PolarHBondContact O-N 2.97Å; Y129-G133 PolarHBondContact O-N 3.39Å; Y129-M137 HydrophobicContact CD1-CE 3.61Å; Y129-M137 HydrophobicContact CD1-CG 4.24Å; Y129-M137 HydrophobicContact CD1-SD 3.57Å; Y129-M137 VanDerWaalsContact CD1-SD 3.57Å; Y129-M137 HydrophobicContact CD2-CE 4.38Å; Y129-M137 HydrophobicContact CE1-CE 2.91Å; Y129-M137 HydrophobicContact CE1-CG 4.41Å; Y129-M137 HydrophobicContact CE1-SD 3.47Å; Y129-M137 WeakPolarHBondContact CE1-SD 3.39Å; Y129-M137 HydrophobicContact CE2-CE 3.81Å; Y129-M137 HydrophobicContact CG-CE 4.32Å; Y129-M137 HydrophobicContact CG-CG 4.49Å; Y129-M137 HydrophobicContact CG-SD 4.36Å; Y129-M137 WeakPolarHBondContact OH-CE 3.26Å; Y129-P147 HydrophobicContact CD1-CG 3.68Å; Y129-P147 HydrophobicContact CE1-CB 4.28Å; Y129-P147 HydrophobicContact CE1-CG 3.45Å; Y129-P147 VanDerWaalsContact CE1-CG 3.45Å; Y129-P147 HydrophobicContact CG-CG 4.41Å; Y129-R150 PolarHBondContact OH-NE 3.13Å |
| 130 | K | 77.9 | Confident | 70.7 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 175.8 | -74.2 | 178.3 | -179.9 | 177 | 0 | 112.4 | G59 D60 E126 A127 I128 | G59-K130 WeakPolarHBondContact CA-O 3.29Å; D60-K130 HydrophobicContact CB-CB 4.35Å; D60-K130 PolarHBondContact N-O 3.11Å; D60-K130 CarbonylContact O-C 3.3Å; E126-K130 WeakPolarHBondContact O-CG 3.15Å; E126-K130 PolarHBondContact O-N 3.45Å; A127-K130 PolarHBondContact O-N 3.01Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.15Å |
| 131 | M | 72.6 | Confident | 69 | Low | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.7 | -46.3 | -179.6 | 175.8 | -177.3 | 175.9 | 0 | 0 | 113 | Y52 F56 G59 D60 A61 F64 A127 I128 G133 M189 | Y52-M131 HydrophobicContact CD1-CE 3.83Å; Y52-M131 HydrophobicContact CE1-CE 3.96Å; F56-M131 HydrophobicContact CB-CG 4.44Å; F56-M131 HydrophobicContact CD1-CE 3.84Å; F56-M131 HydrophobicContact CD1-CG 4.43Å; F56-M131 HydrophobicContact CD2-CE 3.18Å; F56-M131 HydrophobicContact CE1-CE 3.81Å; F56-M131 HydrophobicContact CE2-CE 3.13Å; F56-M131 HydrophobicContact CG-CE 3.56Å; F56-M131 HydrophobicContact CG-CG 4.21Å; F56-M131 HydrophobicContact CZ-CE 3.48Å; F56-M131 VanDerWaalsContact CZ-CE 3.48Å; G59-M131 WeakPolarHBondContact CA-O 3.3Å; D60-M131 WeakPolarHBondContact O-CA 3.35Å; D60-M131 PolarHBondContact O-N 3.44Å; A61-M131 HydrophobicContact CB-CB 4.44Å; A61-M131 HydrophobicContact CB-CG 3.82Å; A61-M131 HydrophobicContact CB-SD 4.44Å; F64-M131 HydrophobicContact CB-CB 4.37Å; F64-M131 HydrophobicContact CB-SD 3.62Å; F64-M131 HydrophobicContact CD1-CE 3.9Å; F64-M131 HydrophobicContact CD1-SD 3.27Å; F64-M131 WeakPolarHBondContact CD1-SD 3.29Å; F64-M131 HydrophobicContact CD2-SD 4.18Å; F64-M131 HydrophobicContact CE1-CE 4.22Å; F64-M131 HydrophobicContact CE1-SD 3.96Å; F64-M131 HydrophobicContact CG-SD 3.39Å; F64-M131 WeakPolarHBondContact CG-SD 3.43Å; A127-M131 WeakPolarHBondContact O-CB 3.47Å; A127-M131 PolarHBondContact O-N 3.39Å; I128-M131 PolarHBondContact O-N 2.69Å; M131-G133 PolarHBondContact O-N 3.04Å; M131-M189 HydrophobicContact CE-SD 4.27Å |
| 132 | V | 66.3 | Low | 67.3 | Low | 19 Ų | 19 | 65.5 Ų | 65.5 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -77.3 | -17.2 | -176 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | I128 I136 | I128-V132 HydrophobicContact CG2-CG2 4.17Å; I128-V132 WeakPolarHBondContact O-CB 3.08Å; I128-V132 WeakPolarHBondContact O-CG2 3.34Å; I128-V132 PolarHBondContact O-N 2.96Å; V132-I136 HydrophobicContact CG1-CB 3.47Å; V132-I136 VanDerWaalsContact CG1-CB 3.47Å; V132-I136 HydrophobicContact CG1-CD1 4.19Å; V132-I136 HydrophobicContact CG1-CG1 4.38Å; V132-I136 HydrophobicContact CG1-CG2 3.33Å |
| 133 | G | 63.2 | Low | 65.9 | Low | 14 Ų | 14 | 68.7 Ų | 68.7 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | 75.5 | 144.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y129 M131 V135 I136 M137 | Y129-G133 PolarHBondContact O-N 3.39Å; M131-G133 PolarHBondContact O-N 3.04Å; G133-V135 PolarHBondContact O-N 3.15Å; G133-I136 PolarHBondContact O-N 3.03Å; G133-M137 PolarHBondContact O-N 3.08Å |
| 134 | T | 53.1 | Low | 64.8 | Low | 105 Ų | 105 | 67.7 Ų | 67.7 | 64% | 0.644 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -52.6 | -26 | -174.5 | -27.6 | 0 | 0 | 0 | 0 | 113.6 | M138 | T134-M138 WeakPolarHBondContact O-CG 2.96Å; T134-M138 PolarHBondContact O-N 2.76Å |
| 135 | V | 48.8 | Very low | 64 | Low | 105 Ų | 105 | 69.7 Ų | 69.7 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -78.2 | -41.3 | -175.6 | -179.9 | 0 | 0 | 0 | 0 | 113.5 | G133 M137 | G133-V135 PolarHBondContact O-N 3.15Å; V135-M137 VanDerWaalsContact C-N 3.25Å |
| 136 | I | 54.1 | Low | 63.9 | Low | 84 Ų | 84 | 72.3 Ų | 72.3 | 43% | 0.431 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.1 | -32.4 | 173.5 | -63.9 | 179.7 | 0 | 0 | 0 | 109 | V132 G133 R139 M140 | V132-I136 HydrophobicContact CG1-CB 3.47Å; V132-I136 VanDerWaalsContact CG1-CB 3.47Å; V132-I136 HydrophobicContact CG1-CD1 4.19Å; V132-I136 HydrophobicContact CG1-CG1 4.38Å; V132-I136 HydrophobicContact CG1-CG2 3.33Å; G133-I136 PolarHBondContact O-N 3.03Å; I136-R139 CarbonylContact O-C 3.46Å; I136-R139 WeakPolarHBondContact O-CA 3.41Å; I136-R139 WeakPolarHBondContact O-CB 3.48Å; I136-R139 PolarHBondContact O-N 2.98Å; I136-M140 HydrophobicContact CG2-CE 4.09Å; I136-M140 HydrophobicContact CG2-CG 4.13Å; I136-M140 HydrophobicContact CG2-SD 3.71Å; I136-M140 PolarHBondContact O-N 3.35Å |
| 137 | M | 53.2 | Low | 63.7 | Low | 32 Ų | 32 | 70.3 Ų | 70.3 | 16% | 0.158 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.6 | -143.4 | -118 | 151.9 | 0 | 0 | 112.9 | Y129 G133 V135 R139 M140 N141 | Y129-M137 HydrophobicContact CD1-CE 3.61Å; Y129-M137 HydrophobicContact CD1-CG 4.24Å; Y129-M137 HydrophobicContact CD1-SD 3.57Å; Y129-M137 VanDerWaalsContact CD1-SD 3.57Å; Y129-M137 HydrophobicContact CD2-CE 4.38Å; Y129-M137 HydrophobicContact CE1-CE 2.91Å; Y129-M137 HydrophobicContact CE1-CG 4.41Å; Y129-M137 HydrophobicContact CE1-SD 3.47Å; Y129-M137 WeakPolarHBondContact CE1-SD 3.39Å; Y129-M137 HydrophobicContact CE2-CE 3.81Å; Y129-M137 HydrophobicContact CG-CE 4.32Å; Y129-M137 HydrophobicContact CG-CG 4.49Å; Y129-M137 HydrophobicContact CG-SD 4.36Å; Y129-M137 WeakPolarHBondContact OH-CE 3.26Å; G133-M137 PolarHBondContact O-N 3.08Å; V135-M137 VanDerWaalsContact C-N 3.25Å; M137-R139 PolarHBondContact O-N 2.76Å; M137-R139 VanDerWaalsContact O-N 3.11Å; M137-M140 PolarHBondContact O-N 3.21Å; M137-M140 VanDerWaalsContact O-N 3.17Å; M137-N141 HydrophobicContact CE-CB 3.89Å; M137-N141 VanDerWaalsContact CE-CG 3.43Å; M137-N141 WeakPolarHBondContact CE-ND2 3.49Å; M137-N141 WeakPolarHBondContact O-CB 3.41Å; M137-N141 PolarHBondContact O-N 2.93Å |
| 138 | M | 48.9 | Very low | 63.7 | Low | 155 Ų | 155 | 76 Ų | 76 | 76% | 0.764 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.9 | -21.5 | 171.4 | -77.6 | -179.1 | 177.5 | 0 | 0 | 113.8 | T134 | T134-M138 WeakPolarHBondContact O-CG 2.96Å; T134-M138 PolarHBondContact O-N 2.76Å |
| 139 | R | 50.3 | Low | 64 | Low | 212 Ų | 212 | 79.6 Ų | 79.6 | 80% | 0.8 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -94.8 | -26 | 176.9 | -65.4 | -172.4 | -178.9 | -171.4 | 1.3 | 113.8 | I136 M137 | I136-R139 CarbonylContact O-C 3.46Å; I136-R139 WeakPolarHBondContact O-CA 3.41Å; I136-R139 WeakPolarHBondContact O-CB 3.48Å; I136-R139 PolarHBondContact O-N 2.98Å; M137-R139 PolarHBondContact O-N 2.76Å; M137-R139 VanDerWaalsContact O-N 3.11Å |
| 140 | M | 51.3 | Low | 64.3 | Low | 85 Ų | 85 | 79.9 Ų | 79.9 | 42% | 0.419 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -93.7 | -22.2 | -179.4 | -75.3 | -177.9 | 157.8 | 0 | 0 | 113.5 | I136 M137 E142 D188 | I136-M140 HydrophobicContact CG2-CE 4.09Å; I136-M140 HydrophobicContact CG2-CG 4.13Å; I136-M140 HydrophobicContact CG2-SD 3.71Å; I136-M140 PolarHBondContact O-N 3.35Å; M137-M140 PolarHBondContact O-N 3.21Å; M137-M140 VanDerWaalsContact O-N 3.17Å; M140-E142 VanDerWaalsContact C-N 3.34Å; M140-E142 PolarHBondContact O-N 2.71Å; M140-D188 WeakPolarHBondContact CE-O 3.45Å |
| 141 | N | 55.9 | Low | 64.7 | Low | 30 Ų | 30 | 75.5 Ų | 75.5 | 16% | 0.16 | 39% | 0.394 | C | S | . | . | trans | -91.4 | 67.8 | -177.2 | -142.4 | 21.4 | 0 | 0 | 0 | 110.2 | M137 D143 G144 L145 R150 | M137-N141 HydrophobicContact CE-CB 3.89Å; M137-N141 VanDerWaalsContact CE-CG 3.43Å; M137-N141 WeakPolarHBondContact CE-ND2 3.49Å; M137-N141 WeakPolarHBondContact O-CB 3.41Å; M137-N141 PolarHBondContact O-N 2.93Å; N141-D143 PolarHBondContact O-N 2.77Å; N141-G144 PolarHBondContact O-N 3.35Å; N141-G144 VanDerWaalsContact O-N 3.07Å; N141-L145 PolarHBondContact ND2-N 2.92Å; N141-L145 PolarHBondContact ND2-O 2.96Å; N141-R150 PolarHBondContact OD1-NH2 2.86Å; N141-R150 VanDerWaalsContact OD1-NH2 3.14Å | ||
| 142 | E | 53.2 | Low | 65.4 | Low | 189 Ų | 189 | 79.1 Ų | 79.1 | 88% | 0.883 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32.1 | 173.2 | -69.8 | -170.4 | 143.5 | 0 | 0 | 111.6 | M140 | M140-E142 VanDerWaalsContact C-N 3.34Å; M140-E142 PolarHBondContact O-N 2.71Å |
| 143 | D | 58.7 | Low | 66.2 | Low | 104 Ų | 104 | 81.8 Ų | 81.8 | 56% | 0.556 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.7 | 179.4 | -65.8 | -14.4 | 0 | 0 | 0 | 114.2 | N141 L145 K153 | N141-D143 PolarHBondContact O-N 2.77Å; D143-L145 HydrophobicContact CB-CD1 3.99Å; D143-L145 HydrophobicContact CB-CG 3.81Å; D143-L145 PolarHBondContact O-N 3.22Å; D143-L145 VanDerWaalsContact O-N 3.17Å; D143-K153 IonicContact OD2-NZ 3.92Å; D143-K153 PolarHBondContact OD2-NZ 2.96Å |
| 144 | G | 64.8 | Low | 67.2 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 58% | 0.577 | 42% | 0.417 | S | S | * | . | trans | 63.4 | 16.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | N141 | N141-G144 PolarHBondContact O-N 3.35Å; N141-G144 VanDerWaalsContact O-N 3.07Å | ||
| 145 | L | 69.5 | Low | 68.9 | Low | 41 Ų | 41 | 76.3 Ų | 76.3 | 22% | 0.215 | 39% | 0.387 | C | S | . | . | trans | -73.7 | 141.3 | -173.9 | -61.3 | 174.6 | 0 | 0 | 0 | 112.8 | N141 D143 Q149 K153 | N141-L145 PolarHBondContact ND2-N 2.92Å; N141-L145 PolarHBondContact ND2-O 2.96Å; D143-L145 HydrophobicContact CB-CD1 3.99Å; D143-L145 HydrophobicContact CB-CG 3.81Å; D143-L145 PolarHBondContact O-N 3.22Å; D143-L145 VanDerWaalsContact O-N 3.17Å; L145-Q149 HydrophobicContact CB-CB 4.14Å; L145-Q149 HydrophobicContact CD2-CB 4.06Å; L145-K153 HydrophobicContact CD1-CD 3.91Å | ||
| 146 | T | 79.7 | Confident | 70.8 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | trans | -69.7 | 161.6 | 168.7 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | Q148 Q149 R150 | T146-Q148 PolarHBondContact O-N 2.85Å; T146-Q149 PolarHBondContact O-N 3.25Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.49Å; T146-Q149 VanDerWaalsContact OG1-CG 3.24Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.39Å; T146-Q149 PolarHBondContact OG1-N 2.99Å; T146-Q149 PolarHBondContact OG1-OE1 2.82Å; T146-R150 PolarHBondContact O-N 2.75Å | ||
| 147 | P | 79.2 | Confident | 72.2 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 20% | 0.195 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -49.5 | -46 | 173 | -26.3 | 31.8 | 0 | 0 | 0 | 112.8 | L122 I125 E126 Y129 R150 V151 | L122-P147 HydrophobicContact CD1-CB 3.69Å; I125-P147 HydrophobicContact CG2-CB 3.97Å; E126-P147 HydrophobicContact CG-CB 4.11Å; E126-P147 HydrophobicContact CG-CG 4.33Å; Y129-P147 HydrophobicContact CD1-CG 3.68Å; Y129-P147 HydrophobicContact CE1-CB 4.28Å; Y129-P147 HydrophobicContact CE1-CG 3.45Å; Y129-P147 VanDerWaalsContact CE1-CG 3.45Å; Y129-P147 HydrophobicContact CG-CG 4.41Å; P147-R150 WeakPolarHBondContact O-CB 3.32Å; P147-R150 PolarHBondContact O-N 3.31Å; P147-V151 WeakPolarHBondContact O-CG2 3.38Å; P147-V151 PolarHBondContact O-N 3.44Å |
| 148 | Q | 84.6 | Confident | 73.8 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.6 | -48.5 | 179.5 | -68.1 | 172.7 | -18.9 | 0 | 0 | 112 | L122 T146 R150 V151 D152 | L122-Q148 HydrophobicContact CD1-CG 3.87Å; L122-Q148 HydrophobicContact CD2-CG 4.18Å; T146-Q148 PolarHBondContact O-N 2.85Å; Q148-R150 PolarHBondContact O-N 2.84Å; Q148-V151 WeakPolarHBondContact O-CB 3.46Å; Q148-V151 PolarHBondContact O-N 3.28Å; Q148-V151 VanDerWaalsContact O-N 3.11Å; Q148-D152 PolarHBondContact O-N 3.11Å |
| 149 | Q | 83.8 | Confident | 75.7 | Confident | 92 Ų | 92 | 66.7 Ų | 66.7 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -29.9 | 177.4 | -71 | 168.5 | -43.9 | 0 | 0 | 112.6 | L145 T146 K153 | L145-Q149 HydrophobicContact CB-CB 4.14Å; L145-Q149 HydrophobicContact CD2-CB 4.06Å; T146-Q149 PolarHBondContact O-N 3.25Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.49Å; T146-Q149 VanDerWaalsContact OG1-CG 3.24Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.39Å; T146-Q149 PolarHBondContact OG1-N 2.99Å; T146-Q149 PolarHBondContact OG1-OE1 2.82Å; Q149-K153 WeakPolarHBondContact O-CB 3.35Å; Q149-K153 PolarHBondContact O-N 3.18Å |
| 150 | R | 81.3 | Confident | 77.4 | Confident | 39 Ų | 39 | 62 Ų | 62 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.3 | -43.6 | 173.4 | -171.6 | 177.6 | -76.7 | -157.2 | -4.4 | 110.8 | I125 Y129 N141 T146 P147 Q148 K153 I154 | I125-R150 HydrophobicContact CD1-CG 4.36Å; Y129-R150 PolarHBondContact OH-NE 3.13Å; N141-R150 PolarHBondContact OD1-NH2 2.86Å; N141-R150 VanDerWaalsContact OD1-NH2 3.14Å; T146-R150 PolarHBondContact O-N 2.75Å; P147-R150 WeakPolarHBondContact O-CB 3.32Å; P147-R150 PolarHBondContact O-N 3.31Å; Q148-R150 PolarHBondContact O-N 2.84Å; R150-K153 PolarHBondContact O-N 3.06Å; R150-I154 HydrophobicContact CG-CD1 4.09Å; R150-I154 VanDerWaalsContact O-CG1 3.26Å; R150-I154 WeakPolarHBondContact O-CG1 3.41Å; R150-I154 PolarHBondContact O-N 3.26Å |
| 151 | V | 85.8 | Confident | 79.2 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57 | -49.7 | 171.9 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | R118 M121 L122 I125 P147 Q148 K153 I154 F155 | R118-V151 HydrophobicContact CB-CG1 4.33Å; R118-V151 HydrophobicContact CG-CG1 4.44Å; M121-V151 HydrophobicContact CB-CG1 4.38Å; M121-V151 HydrophobicContact CB-CG2 4.43Å; M121-V151 HydrophobicContact CG-CG1 4.47Å; M121-V151 HydrophobicContact CG-CG2 4.13Å; M121-V151 HydrophobicContact SD-CG1 4.29Å; L122-V151 HydrophobicContact CB-CG2 3.98Å; L122-V151 HydrophobicContact CD1-CG2 3.99Å; I125-V151 HydrophobicContact CD1-CG2 3.73Å; P147-V151 WeakPolarHBondContact O-CG2 3.38Å; P147-V151 PolarHBondContact O-N 3.44Å; Q148-V151 WeakPolarHBondContact O-CB 3.46Å; Q148-V151 PolarHBondContact O-N 3.28Å; Q148-V151 VanDerWaalsContact O-N 3.11Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 3.2Å; V151-I154 PolarHBondContact O-N 3.26Å; V151-F155 HydrophobicContact CG1-CD2 3.61Å; V151-F155 HydrophobicContact CG1-CE2 3.8Å; V151-F155 WeakPolarHBondContact O-CD2 3.35Å; V151-F155 PolarHBondContact O-N 2.87Å |
| 152 | D | 87.3 | Confident | 80.6 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 43% | 0.433 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 179.4 | -68.6 | -32.7 | 0 | 0 | 0 | 112.2 | R118 Q148 I154 S156 | R118-D152 IonicContact NH1-OD1 2.63Å; R118-D152 PolarHBondContact NH1-OD1 3.28Å; Q148-D152 PolarHBondContact O-N 3.11Å; D152-I154 VanDerWaalsContact C-N 3.35Å; D152-I154 PolarHBondContact O-N 2.94Å; D152-S156 VanDerWaalsContact O-CB 3.31Å; D152-S156 WeakPolarHBondContact O-CB 3.27Å; D152-S156 PolarHBondContact O-N 3.33Å; D152-S156 PolarHBondContact O-OG 2.97Å |
| 153 | K | 84.1 | Confident | 82.4 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 176.7 | -171.4 | 175.4 | -179.7 | 178.8 | 0 | 111.5 | D143 L145 Q149 R150 V151 S156 K157 | D143-K153 IonicContact OD2-NZ 3.92Å; D143-K153 PolarHBondContact OD2-NZ 2.96Å; L145-K153 HydrophobicContact CD1-CD 3.91Å; Q149-K153 WeakPolarHBondContact O-CB 3.35Å; Q149-K153 PolarHBondContact O-N 3.18Å; R150-K153 PolarHBondContact O-N 3.06Å; V151-K153 VanDerWaalsContact C-N 3.3Å; V151-K153 PolarHBondContact O-N 3.2Å; K153-S156 PolarHBondContact O-OG 3.22Å; K153-K157 WeakPolarHBondContact O-CG 3.45Å |
| 154 | I | 84.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.9 | -51.6 | 177.5 | -67 | 165 | 0 | 0 | 0 | 110.2 | M121 I125 R150 V151 D152 S156 K157 M158 | M121-I154 HydrophobicContact CE-CG2 3.68Å; M121-I154 HydrophobicContact SD-CB 3.81Å; M121-I154 HydrophobicContact SD-CD1 3.9Å; M121-I154 HydrophobicContact SD-CG1 4.48Å; M121-I154 HydrophobicContact SD-CG2 3.51Å; M121-I154 VanDerWaalsContact SD-CG2 3.51Å; I125-I154 HydrophobicContact CD1-CD1 3.89Å; R150-I154 HydrophobicContact CG-CD1 4.09Å; R150-I154 VanDerWaalsContact O-CG1 3.26Å; R150-I154 WeakPolarHBondContact O-CG1 3.41Å; R150-I154 PolarHBondContact O-N 3.26Å; V151-I154 PolarHBondContact O-N 3.26Å; D152-I154 VanDerWaalsContact C-N 3.35Å; D152-I154 PolarHBondContact O-N 2.94Å; I154-S156 VanDerWaalsContact C-N 3.33Å; I154-S156 PolarHBondContact O-N 3.12Å; I154-K157 PolarHBondContact O-N 2.99Å; I154-M158 HydrophobicContact CG2-CG 3.95Å; I154-M158 HydrophobicContact CG2-SD 3.36Å; I154-M158 WeakPolarHBondContact CG2-SD 3.48Å; I154-M158 WeakPolarHBondContact O-CG 2.79Å; I154-M158 PolarHBondContact O-N 2.8Å |
| 155 | F | 88.7 | Confident | 85.1 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 178.3 | -90.1 | -99.8 | 0 | 0 | 0 | 111.6 | I116 R118 M121 V151 K157 M158 D159 D164 I166 | I116-F155 WeakPolarHBondContact O-CZ 3.28Å; R118-F155 HydrophobicContact CB-CE2 4.32Å; R118-F155 HydrophobicContact CB-CZ 4.21Å; R118-F155 HydrophobicContact CG-CD1 3.81Å; R118-F155 HydrophobicContact CG-CD2 4.01Å; R118-F155 HydrophobicContact CG-CE1 3.6Å; R118-F155 HydrophobicContact CG-CE2 3.8Å; R118-F155 HydrophobicContact CG-CG 4.01Å; R118-F155 HydrophobicContact CG-CZ 3.6Å; M121-F155 HydrophobicContact CB-CE2 3.97Å; M121-F155 HydrophobicContact CE-CD2 4.35Å; M121-F155 HydrophobicContact CE-CE2 3.79Å; M121-F155 HydrophobicContact CG-CE2 4.39Å; M121-F155 HydrophobicContact SD-CD2 3.85Å; M121-F155 HydrophobicContact SD-CE2 3.58Å; M121-F155 VanDerWaalsContact SD-CE2 3.58Å; V151-F155 HydrophobicContact CG1-CD2 3.61Å; V151-F155 HydrophobicContact CG1-CE2 3.8Å; V151-F155 WeakPolarHBondContact O-CD2 3.35Å; V151-F155 PolarHBondContact O-N 2.87Å; F155-K157 PolarHBondContact O-N 3.2Å; F155-M158 PolarHBondContact O-N 3.3Å; F155-M158 VanDerWaalsContact O-N 3.16Å; F155-D159 HydrophobicContact CD1-CB 4.02Å; F155-D159 VanDerWaalsContact O-CB 3.32Å; F155-D159 WeakPolarHBondContact O-CB 3.4Å; F155-D159 PolarHBondContact O-N 2.95Å; F155-D164 WeakPolarHBondContact CE1-O 3.39Å; F155-I166 HydrophobicContact CD1-CD1 3.96Å; F155-I166 HydrophobicContact CD1-CG1 4.05Å; F155-I166 HydrophobicContact CD2-CD1 3.89Å; F155-I166 HydrophobicContact CE1-CD1 3.76Å; F155-I166 HydrophobicContact CE1-CG1 3.72Å; F155-I166 HydrophobicContact CE2-CD1 3.71Å; F155-I166 HydrophobicContact CG-CD1 4.02Å; F155-I166 HydrophobicContact CZ-CD1 3.63Å; F155-I166 HydrophobicContact CZ-CG1 3.98Å |
| 156 | S | 87.3 | Confident | 86.2 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 59% | 0.594 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.9 | -19.5 | 177.5 | 73.4 | 0 | 0 | 0 | 0 | 114.8 | D152 K153 I154 | D152-S156 VanDerWaalsContact O-CB 3.31Å; D152-S156 WeakPolarHBondContact O-CB 3.27Å; D152-S156 PolarHBondContact O-N 3.33Å; D152-S156 PolarHBondContact O-OG 2.97Å; K153-S156 PolarHBondContact O-OG 3.22Å; I154-S156 VanDerWaalsContact C-N 3.33Å; I154-S156 PolarHBondContact O-N 3.12Å |
| 157 | K | 84.6 | Confident | 86.8 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 37% | 0.365 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -101.4 | -31.2 | 178.3 | -70.8 | -174.8 | 167.4 | -160.8 | 0 | 113.4 | K153 I154 F155 D178 I181 | K153-K157 WeakPolarHBondContact O-CG 3.45Å; I154-K157 PolarHBondContact O-N 2.99Å; F155-K157 PolarHBondContact O-N 3.2Å; K157-D178 IonicContact NZ-OD2 3.39Å; K157-D178 PolarHBondContact NZ-OD2 2.93Å; K157-I181 HydrophobicContact CB-CD1 3.87Å; K157-I181 HydrophobicContact CD-CD1 4.05Å; K157-I181 HydrophobicContact CD-CG1 4.14Å |
| 158 | M | 86.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -98.6 | -41 | -172.4 | -61.2 | -169.8 | 109.4 | 0 | 0 | 112.9 | I154 F155 K160 I166 F171 A174 I181 L185 | I154-M158 HydrophobicContact CG2-CG 3.95Å; I154-M158 HydrophobicContact CG2-SD 3.36Å; I154-M158 WeakPolarHBondContact CG2-SD 3.48Å; I154-M158 WeakPolarHBondContact O-CG 2.79Å; I154-M158 PolarHBondContact O-N 2.8Å; F155-M158 PolarHBondContact O-N 3.3Å; F155-M158 VanDerWaalsContact O-N 3.16Å; M158-K160 PolarHBondContact O-N 2.73Å; M158-I166 HydrophobicContact CB-CD1 3.74Å; M158-I166 HydrophobicContact CB-CG1 4.07Å; M158-I166 HydrophobicContact CB-CG2 4.31Å; M158-I166 HydrophobicContact CG-CD1 4.47Å; M158-I166 HydrophobicContact SD-CD1 4.18Å; M158-F171 HydrophobicContact CE-CB 4.48Å; M158-F171 HydrophobicContact CE-CD2 3.53Å; M158-F171 HydrophobicContact CE-CE2 3.95Å; M158-F171 HydrophobicContact CE-CG 4.05Å; M158-F171 HydrophobicContact SD-CD2 4.2Å; M158-A174 HydrophobicContact CB-CB 4.07Å; M158-A174 HydrophobicContact CE-CB 3.68Å; M158-A174 HydrophobicContact CG-CB 3.59Å; M158-A174 HydrophobicContact SD-CB 4.5Å; M158-I181 HydrophobicContact CE-CG2 3.38Å; M158-I181 HydrophobicContact CG-CD1 4.04Å; M158-I181 HydrophobicContact CG-CG2 4.26Å; M158-I181 HydrophobicContact SD-CG2 3.69Å; M158-L185 HydrophobicContact CE-CD1 4.26Å |
| 159 | D | 88.9 | Confident | 87.5 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.027 | 31% | 0.305 | C | S | . | . | trans | -80.1 | 100.2 | -178.6 | 174.9 | 6.2 | 0 | 0 | 0 | 109.5 | F155 D161 H162 N163 D164 I166 | F155-D159 HydrophobicContact CD1-CB 4.02Å; F155-D159 VanDerWaalsContact O-CB 3.32Å; F155-D159 WeakPolarHBondContact O-CB 3.4Å; F155-D159 PolarHBondContact O-N 2.95Å; D159-D161 VanDerWaalsContact OD1-OD1 3.11Å; D159-H162 PolarHBondContact O-CE1 2.86Å; D159-H162 PolarHBondContact O-ND1 3.06Å; D159-H162 VanDerWaalsContact O-ND1 3.15Å; D159-H162 WeakPolarHBondContact OD1-CA 3.26Å; D159-H162 PolarHBondContact OD1-N 3.31Å; D159-H162 WeakPolarHBondContact OD2-CA 3.44Å; D159-N163 PolarHBondContact OD1-N 3.17Å; D159-D164 WeakPolarHBondContact OD2-CA 3.49Å; D159-D164 PolarHBondContact OD2-N 2.81Å; D159-I166 HydrophobicContact CB-CG1 4.3Å | ||
| 160 | K | 85.8 | Confident | 87.8 | Confident | 115 Ų | 115 | 57.9 Ų | 57.9 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -90.3 | -32.9 | -172.6 | -74.8 | -172.2 | 173.8 | -172.2 | 0 | 113 | M158 H162 E170 E173 | M158-K160 PolarHBondContact O-N 2.73Å; K160-H162 VanDerWaalsContact C-N 3.31Å; K160-E170 PolarHBondContact N-OE1 2.89Å; K160-E173 WeakPolarHBondContact CE-OE2 3.4Å; K160-E173 IonicContact NZ-OE1 2.91Å; K160-E173 PolarHBondContact NZ-OE1 3.33Å; K160-E173 IonicContact NZ-OE2 2.74Å; K160-E173 PolarHBondContact NZ-OE2 3.02Å |
| 161 | D | 88.4 | Confident | 88.2 | Confident | 100 Ų | 100 | 56 Ų | 56 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -88.6 | -5.5 | 178.8 | 70.7 | -3.7 | 0 | 0 | 0 | 112.2 | D159 N163 | D159-D161 VanDerWaalsContact OD1-OD1 3.11Å; D161-N163 VanDerWaalsContact C-N 3.3Å; D161-N163 PolarHBondContact O-N 3.29Å; D161-N163 WeakPolarHBondContact OD1-CB 3.4Å; D161-N163 PolarHBondContact OD1-N 3.14Å; D161-N163 PolarHBondContact OD1-ND2 2.74Å; D161-N163 PolarHBondContact OD1-OD1 3.11Å; D161-N163 PolarHBondContact OD2-ND2 2.89Å |
| 162 | H | 87.2 | Confident | 88.2 | Confident | 145 Ų | 145 | 57.5 Ų | 57.5 | 67% | 0.671 | 29% | 0.288 | S | S | * | . | trans | 60.5 | 38.7 | 177.4 | -57.3 | -45.3 | 0 | 0 | 0 | 112.3 | D159 K160 | D159-H162 PolarHBondContact O-CE1 2.86Å; D159-H162 PolarHBondContact O-ND1 3.06Å; D159-H162 VanDerWaalsContact O-ND1 3.15Å; D159-H162 WeakPolarHBondContact OD1-CA 3.26Å; D159-H162 PolarHBondContact OD1-N 3.31Å; D159-H162 WeakPolarHBondContact OD2-CA 3.44Å; K160-H162 VanDerWaalsContact C-N 3.31Å | ||
| 163 | N | 90.4 | Very high | 88.3 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 32% | 0.321 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -90.7 | 1.4 | 178.7 | 71.1 | 10.3 | 0 | 0 | 0 | 113 | D159 D161 E165 | D159-N163 PolarHBondContact OD1-N 3.17Å; D161-N163 VanDerWaalsContact C-N 3.3Å; D161-N163 PolarHBondContact O-N 3.29Å; D161-N163 WeakPolarHBondContact OD1-CB 3.4Å; D161-N163 PolarHBondContact OD1-N 3.14Å; D161-N163 PolarHBondContact OD1-ND2 2.74Å; D161-N163 PolarHBondContact OD1-OD1 3.11Å; D161-N163 PolarHBondContact OD2-ND2 2.89Å; N163-E165 PolarHBondContact O-N 3.18Å; N163-E165 VanDerWaalsContact OD1-CA 3.32Å; N163-E165 WeakPolarHBondContact OD1-CA 3.17Å; N163-E165 WeakPolarHBondContact OD1-CB 3.46Å; N163-E165 PolarHBondContact OD1-N 3.17Å; N163-E165 PolarHBondContact OD1-O 2.98Å |
| 164 | D | 88.4 | Confident | 88.3 | Confident | 81 Ų | 81 | 55 Ų | 55 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 62.4 | 19.4 | -175 | -72.8 | -45 | 0 | 0 | 0 | 115 | R118 F155 D159 | R118-D164 IonicContact CZ-OD1 2.82Å; R118-D164 VanDerWaalsContact CZ-OD1 3.26Å; R118-D164 IonicContact NE-OD1 2.75Å; R118-D164 PolarHBondContact NE-OD1 3.22Å; R118-D164 IonicContact NH2-OD1 2.74Å; R118-D164 PolarHBondContact NH2-OD1 3.5Å; F155-D164 WeakPolarHBondContact CE1-O 3.39Å; D159-D164 WeakPolarHBondContact OD2-CA 3.49Å; D159-D164 PolarHBondContact OD2-N 2.81Å |
| 165 | E | 92.4 | Very high | 88.3 | Confident | 60 Ų | 60 | 55 Ų | 55 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 121.4 | 178.8 | -60.3 | 179 | 158.3 | 0 | 0 | 110.5 | K115 N163 | K115-E165 HydrophobicContact CB-CB 4.47Å; K115-E165 HydrophobicContact CD-CB 4.29Å; K115-E165 VanDerWaalsContact CD-OE2 3.24Å; K115-E165 WeakPolarHBondContact CD-OE2 3.47Å; K115-E165 WeakPolarHBondContact CE-OE2 3.24Å; K115-E165 IonicContact NZ-OE1 2.93Å; K115-E165 IonicContact NZ-OE2 2.72Å; K115-E165 PolarHBondContact NZ-OE2 3.39Å; N163-E165 PolarHBondContact O-N 3.18Å; N163-E165 VanDerWaalsContact OD1-CA 3.32Å; N163-E165 WeakPolarHBondContact OD1-CA 3.17Å; N163-E165 WeakPolarHBondContact OD1-CB 3.46Å; N163-E165 PolarHBondContact OD1-N 3.17Å; N163-E165 PolarHBondContact OD1-O 2.98Å |
| 166 | I | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.8 | 177.5 | -63.5 | 163.7 | 0 | 0 | 0 | 109.5 | K115 I116 M121 F155 M158 D159 E170 F171 | K115-I166 CarbonylContact C-O 3.6Å; K115-I166 WeakPolarHBondContact CA-O 3.42Å; I116-I166 HydrophobicContact CB-CB 4.29Å; I116-I166 PolarHBondContact N-O 3.2Å; I116-I166 PolarHBondContact O-N 3.2Å; M121-I166 HydrophobicContact CE-CD1 3.62Å; F155-I166 HydrophobicContact CD1-CD1 3.96Å; F155-I166 HydrophobicContact CD1-CG1 4.05Å; F155-I166 HydrophobicContact CD2-CD1 3.89Å; F155-I166 HydrophobicContact CE1-CD1 3.76Å; F155-I166 HydrophobicContact CE1-CG1 3.72Å; F155-I166 HydrophobicContact CE2-CD1 3.71Å; F155-I166 HydrophobicContact CG-CD1 4.02Å; F155-I166 HydrophobicContact CZ-CD1 3.63Å; F155-I166 HydrophobicContact CZ-CG1 3.98Å; M158-I166 HydrophobicContact CB-CD1 3.74Å; M158-I166 HydrophobicContact CB-CG1 4.07Å; M158-I166 HydrophobicContact CB-CG2 4.31Å; M158-I166 HydrophobicContact CG-CD1 4.47Å; M158-I166 HydrophobicContact SD-CD1 4.18Å; D159-I166 HydrophobicContact CB-CG1 4.3Å; I166-E170 HydrophobicContact CG2-CB 4.25Å; I166-F171 HydrophobicContact CG2-CB 3.96Å; I166-F171 HydrophobicContact CG2-CD2 4.35Å |
| 167 | T | 92.6 | Very high | 87.7 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 26% | 0.258 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 161.8 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 112.2 | E169 E170 F171 | T167-E169 PolarHBondContact O-N 3.28Å; T167-E170 WeakPolarHBondContact CB-OE2 3.2Å; T167-E170 PolarHBondContact N-OE2 2.76Å; T167-E170 PolarHBondContact O-N 2.88Å; T167-E170 WeakPolarHBondContact OG1-CG 3.28Å; T167-E170 PolarHBondContact OG1-N 3.25Å; T167-E170 PolarHBondContact OG1-OE2 3.43Å; T167-F171 WeakPolarHBondContact O-CB 3.46Å; T167-F171 PolarHBondContact O-N 3.25Å |
| 168 | L | 89.2 | Confident | 87.2 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.4 | -34.4 | 175.5 | -179.1 | 64.1 | 0 | 0 | 0 | 112.5 | F105 K172 | F105-L168 HydrophobicContact CB-CD1 3.66Å; F105-L168 HydrophobicContact CD1-CB 4.47Å; F105-L168 HydrophobicContact CD1-CD1 3.92Å; F105-L168 HydrophobicContact CD2-CB 4.27Å; F105-L168 HydrophobicContact CD2-CD1 3.77Å; F105-L168 HydrophobicContact CE1-CB 4.3Å; F105-L168 VanDerWaalsContact CE2-CA 3.5Å; F105-L168 HydrophobicContact CE2-CB 4.09Å; F105-L168 HydrophobicContact CE2-CD1 4.44Å; F105-L168 HydrophobicContact CG-CB 4.46Å; F105-L168 HydrophobicContact CG-CD1 3.48Å; F105-L168 VanDerWaalsContact CG-CD1 3.48Å; F105-L168 HydrophobicContact CZ-CB 4.11Å; L168-K172 HydrophobicContact CD1-CD 4.49Å; L168-K172 HydrophobicContact CD1-CG 4.36Å; L168-K172 HydrophobicContact CG-CD 4.3Å; L168-K172 WeakPolarHBondContact O-CB 3.19Å; L168-K172 VanDerWaalsContact O-CG 3.27Å; L168-K172 WeakPolarHBondContact O-CG 3.2Å; L168-K172 PolarHBondContact O-N 2.82Å |
| 169 | E | 89.9 | Confident | 86.5 | Confident | 161 Ų | 161 | 64.3 Ų | 64.3 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.1 | -48.2 | 178.3 | -63.7 | -157.6 | 158.8 | 0 | 0 | 111.5 | T167 F171 K172 E173 | T167-E169 PolarHBondContact O-N 3.28Å; E169-F171 VanDerWaalsContact C-N 3.29Å; E169-F171 PolarHBondContact O-N 3.16Å; E169-K172 PolarHBondContact O-N 3.34Å; E169-E173 WeakPolarHBondContact O-CB 3.35Å; E169-E173 PolarHBondContact O-N 3.5Å |
| 170 | E | 90.3 | Very high | 85.4 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 9% | 0.089 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.9 | -72.1 | 170.4 | 125.1 | 0 | 0 | 111.5 | K160 I166 T167 K172 E173 A174 | K160-E170 PolarHBondContact N-OE1 2.89Å; I166-E170 HydrophobicContact CG2-CB 4.25Å; T167-E170 WeakPolarHBondContact CB-OE2 3.2Å; T167-E170 PolarHBondContact N-OE2 2.76Å; T167-E170 PolarHBondContact O-N 2.88Å; T167-E170 WeakPolarHBondContact OG1-CG 3.28Å; T167-E170 PolarHBondContact OG1-N 3.25Å; T167-E170 PolarHBondContact OG1-OE2 3.43Å; E170-K172 PolarHBondContact O-N 2.93Å; E170-E173 PolarHBondContact O-N 2.96Å; E170-A174 VanDerWaalsContact O-CB 3.23Å; E170-A174 WeakPolarHBondContact O-CB 3.31Å; E170-A174 PolarHBondContact O-N 3.49Å |
| 171 | F | 88.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 176.5 | -172.5 | -94 | 0 | 0 | 0 | 111.7 | L101 A104 F105 I116 M158 I166 T167 E169 A175 L185 | L101-F171 HydrophobicContact CB-CE1 4.4Å; L101-F171 HydrophobicContact CD2-CE1 3.92Å; A104-F171 HydrophobicContact CB-CE1 4.38Å; A104-F171 HydrophobicContact CB-CZ 4.22Å; F105-F171 HydrophobicContact CB-CD1 4.18Å; F105-F171 HydrophobicContact CB-CE1 4.21Å; F105-F171 HydrophobicContact CD2-CB 3.73Å; F105-F171 HydrophobicContact CD2-CD1 4.11Å; F105-F171 HydrophobicContact CD2-CD2 4.15Å; F105-F171 AromaticContact CD2-CG 3.76Å; F105-F171 HydrophobicContact CD2-CG 3.76Å; F105-F171 HydrophobicContact CE2-CB 4.15Å; I116-F171 HydrophobicContact CD1-CD2 4.05Å; I116-F171 HydrophobicContact CD1-CE2 4.28Å; M158-F171 HydrophobicContact CE-CB 4.48Å; M158-F171 HydrophobicContact CE-CD2 3.53Å; M158-F171 HydrophobicContact CE-CE2 3.95Å; M158-F171 HydrophobicContact CE-CG 4.05Å; M158-F171 HydrophobicContact SD-CD2 4.2Å; I166-F171 HydrophobicContact CG2-CB 3.96Å; I166-F171 HydrophobicContact CG2-CD2 4.35Å; T167-F171 WeakPolarHBondContact O-CB 3.46Å; T167-F171 PolarHBondContact O-N 3.25Å; E169-F171 VanDerWaalsContact C-N 3.29Å; E169-F171 PolarHBondContact O-N 3.16Å; F171-A175 WeakPolarHBondContact O-CB 3.43Å; F171-A175 PolarHBondContact O-N 3.02Å; F171-L185 HydrophobicContact CE1-CD1 4.38Å; F171-L185 HydrophobicContact CE2-CD1 3.53Å; F171-L185 HydrophobicContact CE2-CD2 4.02Å; F171-L185 HydrophobicContact CE2-CG 4.44Å; F171-L185 HydrophobicContact CZ-CD1 3.42Å; F171-L185 VanDerWaalsContact CZ-CD1 3.42Å; F171-L185 HydrophobicContact CZ-CD2 4.35Å; F171-L185 HydrophobicContact CZ-CG 4.47Å |
| 172 | K | 87.1 | Confident | 83.4 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 177.4 | -77.2 | 178.6 | -179 | -175.8 | 0 | 112 | E98 L101 N102 L168 E169 E170 K176 | E98-K172 IonicContact OE1-NZ 2.88Å; E98-K172 PolarHBondContact OE1-NZ 2.97Å; L101-K172 HydrophobicContact CD1-CG 4.42Å; N102-K172 WeakPolarHBondContact OD1-CE 3.34Å; N102-K172 PolarHBondContact OD1-NZ 3.01Å; L168-K172 HydrophobicContact CD1-CD 4.49Å; L168-K172 HydrophobicContact CD1-CG 4.36Å; L168-K172 HydrophobicContact CG-CD 4.3Å; L168-K172 WeakPolarHBondContact O-CB 3.19Å; L168-K172 VanDerWaalsContact O-CG 3.27Å; L168-K172 WeakPolarHBondContact O-CG 3.2Å; L168-K172 PolarHBondContact O-N 2.82Å; E169-K172 PolarHBondContact O-N 3.34Å; E170-K172 PolarHBondContact O-N 2.93Å; K172-K176 WeakPolarHBondContact O-CB 3.1Å; K172-K176 VanDerWaalsContact O-CG 3.23Å; K172-K176 WeakPolarHBondContact O-CG 3.32Å; K172-K176 PolarHBondContact O-N 3.36Å |
| 173 | E | 88.5 | Confident | 82.2 | Confident | 96 Ų | 96 | 54.3 Ų | 54.3 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.1 | -46.9 | -179.2 | -165.3 | -176.2 | 174 | 0 | 0 | 110.7 | K160 E169 E170 A175 K176 S177 | K160-E173 WeakPolarHBondContact CE-OE2 3.4Å; K160-E173 IonicContact NZ-OE1 2.91Å; K160-E173 PolarHBondContact NZ-OE1 3.33Å; K160-E173 IonicContact NZ-OE2 2.74Å; K160-E173 PolarHBondContact NZ-OE2 3.02Å; E169-E173 WeakPolarHBondContact O-CB 3.35Å; E169-E173 PolarHBondContact O-N 3.5Å; E170-E173 PolarHBondContact O-N 2.96Å; E173-A175 PolarHBondContact O-N 3.06Å; E173-K176 PolarHBondContact O-N 3.48Å; E173-S177 VanDerWaalsContact O-CB 3.32Å; E173-S177 WeakPolarHBondContact O-CB 3.39Å; E173-S177 PolarHBondContact O-N 2.84Å |
| 174 | A | 85.1 | Confident | 80.7 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M158 E170 K176 S177 D178 I181 | M158-A174 HydrophobicContact CB-CB 4.07Å; M158-A174 HydrophobicContact CE-CB 3.68Å; M158-A174 HydrophobicContact CG-CB 3.59Å; M158-A174 HydrophobicContact SD-CB 4.5Å; E170-A174 VanDerWaalsContact O-CB 3.23Å; E170-A174 WeakPolarHBondContact O-CB 3.31Å; E170-A174 PolarHBondContact O-N 3.49Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 2.94Å; A174-S177 PolarHBondContact O-N 3.39Å; A174-D178 PolarHBondContact O-N 3.4Å; A174-I181 HydrophobicContact CB-CD1 3.88Å |
| 175 | A | 82.9 | Confident | 79.4 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -33.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L101 F171 E173 V182 | L101-A175 HydrophobicContact CD1-CB 3.78Å; L101-A175 HydrophobicContact CD2-CB 3.51Å; L101-A175 HydrophobicContact CG-CB 4.32Å; F171-A175 WeakPolarHBondContact O-CB 3.43Å; F171-A175 PolarHBondContact O-N 3.02Å; E173-A175 PolarHBondContact O-N 3.06Å; A175-V182 HydrophobicContact CB-CG2 3.59Å; A175-V182 WeakPolarHBondContact O-CG2 3.2Å |
| 176 | K | 82.1 | Confident | 77.8 | Confident | 139 Ų | 139 | 52.6 Ų | 52.6 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -76.6 | -38.1 | 174.6 | -75 | 172.5 | -177.5 | 177.2 | 0 | 112.1 | F97 K172 E173 A174 | F97-K176 HydrophobicContact CE1-CG 4.09Å; K172-K176 WeakPolarHBondContact O-CB 3.1Å; K172-K176 VanDerWaalsContact O-CG 3.23Å; K172-K176 WeakPolarHBondContact O-CG 3.32Å; K172-K176 PolarHBondContact O-N 3.36Å; E173-K176 PolarHBondContact O-N 3.48Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 2.94Å |
| 177 | S | 81.8 | Confident | 75.7 | Confident | 100 Ų | 100 | 54.5 Ų | 54.5 | 70% | 0.699 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -76.7 | -33.5 | -176.9 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | E173 A174 | E173-S177 VanDerWaalsContact O-CB 3.32Å; E173-S177 WeakPolarHBondContact O-CB 3.39Å; E173-S177 PolarHBondContact O-N 2.84Å; A174-S177 PolarHBondContact O-N 3.39Å |
| 178 | D | 74.9 | Confident | 73 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 24% | 0.235 | 30% | 0.297 | C | S | . | . | trans | -135.9 | 96.7 | -178.1 | -172.1 | -7.4 | 0 | 0 | 0 | 110.2 | K157 A174 S180 I181 | K157-D178 IonicContact NZ-OD2 3.39Å; K157-D178 PolarHBondContact NZ-OD2 2.93Å; A174-D178 PolarHBondContact O-N 3.4Å; D178-S180 PolarHBondContact O-N 3.3Å; D178-S180 WeakPolarHBondContact OD1-CA 3.23Å; D178-S180 WeakPolarHBondContact OD1-CB 3.36Å; D178-S180 PolarHBondContact OD1-N 3.18Å; D178-S180 PolarHBondContact OD1-OG 3.07Å; D178-S180 PolarHBondContact OD2-OG 3.37Å; D178-I181 HydrophobicContact CB-CD1 3.84Å; D178-I181 HydrophobicContact CB-CG1 3.96Å; D178-I181 WeakPolarHBondContact O-CB 3.41Å; D178-I181 PolarHBondContact O-N 3.07Å | ||
| 179 | P | 70.8 | Confident | 70.5 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.6 | -21.6 | 175.6 | -24.9 | 34.3 | 0 | 0 | 0 | 113.4 | I181 V182 L183 | P179-I181 PolarHBondContact O-N 3.22Å; P179-V182 WeakPolarHBondContact O-CB 3.23Å; P179-V182 PolarHBondContact O-N 3.15Å; P179-L183 PolarHBondContact O-N 3.38Å |
| 180 | S | 66.1 | Low | 67.7 | Low | 44 Ų | 44 | 58.4 Ų | 58.4 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -26.3 | 175 | 78.5 | 0 | 0 | 0 | 0 | 112.3 | D178 L183 L184 | D178-S180 PolarHBondContact O-N 3.3Å; D178-S180 WeakPolarHBondContact OD1-CA 3.23Å; D178-S180 WeakPolarHBondContact OD1-CB 3.36Å; D178-S180 PolarHBondContact OD1-N 3.18Å; D178-S180 PolarHBondContact OD1-OG 3.07Å; D178-S180 PolarHBondContact OD2-OG 3.37Å; S180-L183 CarbonylContact O-C 3.56Å; S180-L183 WeakPolarHBondContact O-CB 3.24Å; S180-L183 PolarHBondContact O-N 2.74Å; S180-L184 VanDerWaalsContact O-CG 3.25Å; S180-L184 WeakPolarHBondContact O-CG 3.49Å; S180-L184 PolarHBondContact O-N 2.82Å |
| 181 | I | 67.3 | Low | 64.8 | Low | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70 | -39.1 | 174.1 | -59.2 | 173.2 | 0 | 0 | 0 | 110.1 | K157 M158 A174 D178 P179 L183 L184 L185 | K157-I181 HydrophobicContact CB-CD1 3.87Å; K157-I181 HydrophobicContact CD-CD1 4.05Å; K157-I181 HydrophobicContact CD-CG1 4.14Å; M158-I181 HydrophobicContact CE-CG2 3.38Å; M158-I181 HydrophobicContact CG-CD1 4.04Å; M158-I181 HydrophobicContact CG-CG2 4.26Å; M158-I181 HydrophobicContact SD-CG2 3.69Å; A174-I181 HydrophobicContact CB-CD1 3.88Å; D178-I181 HydrophobicContact CB-CD1 3.84Å; D178-I181 HydrophobicContact CB-CG1 3.96Å; D178-I181 WeakPolarHBondContact O-CB 3.41Å; D178-I181 PolarHBondContact O-N 3.07Å; P179-I181 PolarHBondContact O-N 3.22Å; I181-L183 VanDerWaalsContact C-N 3.27Å; I181-L183 PolarHBondContact O-N 2.63Å; I181-L184 WeakPolarHBondContact O-CB 3.39Å; I181-L184 PolarHBondContact O-N 2.82Å; I181-L185 HydrophobicContact CG2-CD1 3.84Å; I181-L185 HydrophobicContact CG2-CG 4.3Å; I181-L185 WeakPolarHBondContact O-CB 3.45Å; I181-L185 WeakPolarHBondContact O-CD1 3.25Å; I181-L185 WeakPolarHBondContact O-CG 3.5Å; I181-L185 PolarHBondContact O-N 3.2Å |
| 182 | V | 65.3 | Low | 63.6 | Low | 14 Ų | 14 | 74.3 Ų | 74.3 | 9% | 0.085 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 172.8 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | F97 L101 A175 P179 L184 L185 Q186 | F97-V182 HydrophobicContact CE2-CG2 4.34Å; F97-V182 HydrophobicContact CZ-CG2 4.18Å; L101-V182 HydrophobicContact CD2-CG2 4.31Å; A175-V182 HydrophobicContact CB-CG2 3.59Å; A175-V182 WeakPolarHBondContact O-CG2 3.2Å; P179-V182 WeakPolarHBondContact O-CB 3.23Å; P179-V182 PolarHBondContact O-N 3.15Å; V182-L184 VanDerWaalsContact C-N 3.34Å; V182-L185 PolarHBondContact O-N 2.74Å; V182-Q186 HydrophobicContact CG1-CG 4.09Å; V182-Q186 WeakPolarHBondContact O-CB 3.46Å; V182-Q186 VanDerWaalsContact O-CG 3.28Å; V182-Q186 WeakPolarHBondContact O-CG 3.47Å; V182-Q186 PolarHBondContact O-N 3.01Å |
| 183 | L | 62.3 | Low | 62.4 | Low | 94 Ų | 94 | 76.2 Ų | 76.2 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.1 | -26.7 | 172.7 | -77.2 | 147.4 | 0 | 0 | 0 | 113.6 | P179 S180 I181 | P179-L183 PolarHBondContact O-N 3.38Å; S180-L183 CarbonylContact O-C 3.56Å; S180-L183 WeakPolarHBondContact O-CB 3.24Å; S180-L183 PolarHBondContact O-N 2.74Å; I181-L183 VanDerWaalsContact C-N 3.27Å; I181-L183 PolarHBondContact O-N 2.63Å |
| 184 | L | 58.8 | Low | 60.9 | Low | 45 Ų | 45 | 75.1 Ų | 75.1 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -75.7 | -30 | 173.6 | -74.2 | 167.2 | 0 | 0 | 0 | 111.6 | S180 I181 V182 | S180-L184 VanDerWaalsContact O-CG 3.25Å; S180-L184 WeakPolarHBondContact O-CG 3.49Å; S180-L184 PolarHBondContact O-N 2.82Å; I181-L184 WeakPolarHBondContact O-CB 3.39Å; I181-L184 PolarHBondContact O-N 2.82Å; V182-L184 VanDerWaalsContact C-N 3.34Å |
| 185 | L | 61.1 | Low | 59.5 | Low | 18 Ų | 18 | 79.2 Ų | 79.2 | 9% | 0.094 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -86.6 | -39.2 | 179.3 | -65.1 | 163.5 | 0 | 0 | 0 | 112.3 | Y108 M158 F171 I181 V182 C187 | Y108-L185 HydrophobicContact CD2-CD2 4.2Å; Y108-L185 HydrophobicContact CE1-CD2 4.13Å; Y108-L185 HydrophobicContact CE2-CB 4.41Å; Y108-L185 HydrophobicContact CE2-CD2 3.48Å; Y108-L185 VanDerWaalsContact CE2-CD2 3.48Å; Y108-L185 HydrophobicContact CE2-CG 4.5Å; Y108-L185 VanDerWaalsContact CZ-CD2 3.43Å; Y108-L185 WeakPolarHBondContact OH-CD2 3.39Å; Y108-L185 PolarHBondContact OH-O 3.38Å; M158-L185 HydrophobicContact CE-CD1 4.26Å; F171-L185 HydrophobicContact CE1-CD1 4.38Å; F171-L185 HydrophobicContact CE2-CD1 3.53Å; F171-L185 HydrophobicContact CE2-CD2 4.02Å; F171-L185 HydrophobicContact CE2-CG 4.44Å; F171-L185 HydrophobicContact CZ-CD1 3.42Å; F171-L185 VanDerWaalsContact CZ-CD1 3.42Å; F171-L185 HydrophobicContact CZ-CD2 4.35Å; F171-L185 HydrophobicContact CZ-CG 4.47Å; I181-L185 HydrophobicContact CG2-CD1 3.84Å; I181-L185 HydrophobicContact CG2-CG 4.3Å; I181-L185 WeakPolarHBondContact O-CB 3.45Å; I181-L185 WeakPolarHBondContact O-CD1 3.25Å; I181-L185 WeakPolarHBondContact O-CG 3.5Å; I181-L185 PolarHBondContact O-N 3.2Å; V182-L185 PolarHBondContact O-N 2.74Å; L185-C187 VanDerWaalsContact C-N 3.32Å; L185-C187 PolarHBondContact O-N 2.86Å; L185-C187 VanDerWaalsContact O-N 3.13Å |
| 186 | Q | 58.5 | Low | 58 | Low | 102 Ų | 102 | 84 Ų | 84 | 48% | 0.477 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -78 | 88.3 | 166.5 | -67 | 178.2 | -7.2 | 0 | 0 | 105.8 | V182 D188 | V182-Q186 HydrophobicContact CG1-CG 4.09Å; V182-Q186 WeakPolarHBondContact O-CB 3.46Å; V182-Q186 VanDerWaalsContact O-CG 3.28Å; V182-Q186 WeakPolarHBondContact O-CG 3.47Å; V182-Q186 PolarHBondContact O-N 3.01Å; Q186-D188 VanDerWaalsContact C-N 3.27Å; Q186-D188 PolarHBondContact O-N 3.29Å |
| 187 | C | 46.2 | Very low | 56.4 | Low | 39 Ų | 39 | 80.3 Ų | 80.3 | 26% | 0.264 | 42% | 0.421 | S | S | . | . | trans | -55.5 | 103.8 | 167.2 | -158.4 | 0 | 0 | 0 | 0 | 106 | I128 L185 M189 | I128-C187 HydrophobicContact CG2-CB 3.79Å; I128-C187 WeakPolarHBondContact CG2-SG 2.96Å; L185-C187 VanDerWaalsContact C-N 3.32Å; L185-C187 PolarHBondContact O-N 2.86Å; L185-C187 VanDerWaalsContact O-N 3.13Å; C187-M189 WeakPolarHBondContact O-CG 3.48Å; C187-M189 PolarHBondContact O-N 2.55Å | ||
| 188 | D | 36 | Very low | 54.6 | Low | 72 Ų | 72 | 78.9 Ų | 78.9 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | trans | -70.3 | 81.5 | -163.7 | -149.1 | -14.7 | 0 | 0 | 0 | 108.2 | M140 Q186 Q190 | M140-D188 WeakPolarHBondContact CE-O 3.45Å; Q186-D188 VanDerWaalsContact C-N 3.27Å; Q186-D188 PolarHBondContact O-N 3.29Å; D188-Q190 PolarHBondContact O-N 2.91Å; D188-Q190 VanDerWaalsContact O-N 3.08Å | ||
| 189 | M | 37.8 | Very low | 53 | Low | 101 Ų | 101 | 81.6 Ų | 81.6 | 50% | 0.498 | 41% | 0.414 | S | S | . | . | trans | -75 | 11.6 | -179.3 | -63 | -157.3 | -55.7 | 0 | 0 | 111.7 | F56 M131 C187 K191 | F56-M189 HydrophobicContact CD1-SD 4.39Å; F56-M189 HydrophobicContact CE1-CE 3.88Å; F56-M189 HydrophobicContact CE1-SD 3.29Å; F56-M189 WeakPolarHBondContact CE1-SD 3.32Å; F56-M189 HydrophobicContact CE2-CE 4.27Å; F56-M189 HydrophobicContact CZ-CE 3.32Å; F56-M189 HydrophobicContact CZ-SD 3.42Å; F56-M189 WeakPolarHBondContact CZ-SD 3.15Å; M131-M189 HydrophobicContact CE-SD 4.27Å; C187-M189 WeakPolarHBondContact O-CG 3.48Å; C187-M189 PolarHBondContact O-N 2.55Å; M189-K191 PolarHBondContact O-N 2.92Å; M189-K191 VanDerWaalsContact O-N 3.15Å | ||
| 190 | Q | 30.7 | Very low | 51.6 | Low | 168 Ų | 168 | 81.4 Ų | 81.4 | 79% | 0.785 | 40% | 0.404 | S | S | * | . | trans | -83 | 83 | 171.2 | -68.8 | -162.4 | -28.3 | 0 | 0 | 110.7 | D188 | D188-Q190 PolarHBondContact O-N 2.91Å; D188-Q190 VanDerWaalsContact O-N 3.08Å | ||
| 191 | K | 28.7 | Very low | 50.2 | Low | 277 Ų | 277 | 84.8 Ų | 84.8 | 100% | 1.204 | 41% | 0.412 | S | S | * | . | trans | -142.7 | 0 | 134.2 | -75.4 | -160.4 | 179.2 | 172.6 | 0 | 110.8 | M189 | M189-K191 PolarHBondContact O-N 2.92Å; M189-K191 VanDerWaalsContact O-N 3.15Å |
Retrieved 191 of 191 residues in 234.8 ms
(Link to these results)