| 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 | 39.8 | Very low | 52.8 | Low | 243 Ų | 243 | 142.2 Ų | 142.2 | 100% | 1.197 | 78% | 0.775 | S | S | * | * | 0 | 106.3 | 0 | -77.5 | -175.5 | -100.2 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 2.99Š| |||
| 2 | T | 42.6 | Very low | 55 | Low | 137 Ų | 137 | 136.8 Ų | 136.8 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -67.3 | 116 | 174.5 | 37 | 0 | 0 | 0 | 0 | 108 | E4 | T2-E4 PolarHBondContact O-N 2.9Š| ||
| 3 | S | 46.9 | Very low | 57.2 | Low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | -59.2 | 108.7 | 166.6 | -63.1 | 0 | 0 | 0 | 0 | 107.6 | M1 L5 | M1-S3 PolarHBondContact O-N 2.99Å; S3-L5 PolarHBondContact O-N 3.27Å | ||
| 4 | E | 49.8 | Very low | 59.1 | Low | 187 Ų | 187 | 128.6 Ų | 128.6 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | trans | -61.8 | 106.8 | 167.1 | -82.1 | -178.7 | 153.6 | 0 | 0 | 107.4 | T2 D6 | T2-E4 PolarHBondContact O-N 2.9Å; E4-D6 PolarHBondContact O-N 3.27Å | ||
| 5 | L | 50.1 | Low | 61.2 | Low | 144 Ų | 144 | 120.8 Ų | 120.8 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | trans | -80.9 | 92.6 | 173.3 | -165.7 | 81.9 | 0 | 0 | 0 | 106.9 | S3 I7 | S3-L5 PolarHBondContact O-N 3.27Å; L5-I7 HydrophobicContact CD2-CD1 3.58Å; L5-I7 HydrophobicContact CD2-CG1 3.91Å; L5-I7 HydrophobicContact CG-CD1 4.18Å; L5-I7 HydrophobicContact CG-CG1 3.92Å; L5-I7 PolarHBondContact O-N 3.09Å | ||
| 6 | D | 52.3 | Low | 63.1 | Low | 150 Ų | 150 | 116.1 Ų | 116.1 | 80% | 0.802 | 64% | 0.635 | S | S | * | * | trans | -83.4 | 94.8 | 177.9 | -154.7 | 2.3 | 0 | 0 | 0 | 109.2 | E4 | E4-D6 PolarHBondContact O-N 3.27Š| ||
| 7 | I | 57.2 | Low | 64.9 | Low | 123 Ų | 123 | 113.8 Ų | 113.8 | 63% | 0.631 | 62% | 0.619 | S | S | * | * | trans | -96.3 | 103.4 | 177.3 | -56.3 | -179.7 | 0 | 0 | 0 | 108.6 | L5 V9 | L5-I7 HydrophobicContact CD2-CD1 3.58Å; L5-I7 HydrophobicContact CD2-CG1 3.91Å; L5-I7 HydrophobicContact CG-CD1 4.18Å; L5-I7 HydrophobicContact CG-CG1 3.92Å; L5-I7 PolarHBondContact O-N 3.09Å; I7-V9 HydrophobicContact CG2-CG2 3.99Å | ||
| 8 | F | 57.1 | Low | 66.4 | Low | 136 Ų | 136 | 112.3 Ų | 112.3 | 60% | 0.596 | 61% | 0.61 | S | S | * | * | trans | -96.6 | 115.7 | 166.3 | -175.7 | -98.8 | 0 | 0 | 0 | 110.2 | Q83 | F8-Q83 HydrophobicContact CD1-CG 4.07Å; F8-Q83 VanDerWaalsContact CD1-NE2 3.25Å; F8-Q83 HydrophobicContact CE1-CG 3.69Å; F8-Q83 VanDerWaalsContact CE1-NE2 3.3Å | ||
| 9 | V | 58 | Low | 68 | Low | 135 Ų | 135 | 106.4 Ų | 106.4 | 82% | 0.818 | 58% | 0.578 | S | S | * | * | trans | -97.9 | 100.6 | 171.7 | -176.4 | 0 | 0 | 0 | 0 | 108 | I7 | I7-V9 HydrophobicContact CG2-CG2 3.99Š| ||
| 10 | G | 60.7 | Low | 69.4 | Low | 33 Ų | 33 | 101.2 Ų | 101.2 | 34% | 0.34 | 55% | 0.549 | S | S | . | . | trans | -128.4 | 157.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | T12 | G10-T12 PolarHBondContact O-N 3.17Š| ||
| 11 | N | 66.8 | Low | 70.8 | Confident | 159 Ų | 159 | 101.9 Ų | 101.9 | 85% | 0.85 | 54% | 0.544 | S | S | * | . | trans | -65.1 | 126.4 | 173.4 | -72.4 | -14.3 | 0 | 0 | 0 | 109.4 | T13 | N11-T13 PolarHBondContact O-N 3.33Š| ||
| 12 | T | 79.2 | Confident | 73.5 | Confident | 77 Ų | 77 | 91 Ų | 91 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | trans | -53.7 | 128.3 | 171.4 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | G10 L14 Q83 P85 | G10-T12 PolarHBondContact O-N 3.17Å; T12-L14 PolarHBondContact O-N 2.7Å; T12-Q83 WeakPolarHBondContact CA-O 3.41Å; T12-P85 HydrophobicContact CG2-CG 4.34Å | ||
| 13 | T | 82.7 | Confident | 76.1 | Confident | 27 Ų | 27 | 85.7 Ų | 85.7 | 17% | 0.166 | 46% | 0.455 | C | S | . | . | trans | -65.7 | 109.4 | 175 | -55.1 | 0 | 0 | 0 | 0 | 108.2 | N11 I15 T62 F82 Q83 | N11-T13 PolarHBondContact O-N 3.33Å; T13-I15 HydrophobicContact CG2-CG1 4.3Å; T13-I15 PolarHBondContact O-N 3.37Å; T13-T62 HydrophobicContact CG2-CG2 4.16Å; T13-F82 HydrophobicContact CG2-CD1 4.02Å; T13-Q83 PolarHBondContact N-O 3.16Å; T13-Q83 PolarHBondContact OG1-N 3.5Å | ||
| 14 | L | 84.9 | Confident | 78.5 | Confident | 133 Ų | 133 | 80.7 Ų | 80.7 | 70% | 0.696 | 42% | 0.419 | S | S | * | . | trans | -73.5 | 127.6 | 176.2 | -63.7 | 177.5 | 0 | 0 | 0 | 108.8 | T12 | T12-L14 PolarHBondContact O-N 2.7Š| ||
| 15 | I | 89.7 | Confident | 80.8 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 6% | 0.056 | 39% | 0.392 | C | S | . | . | trans | -126.9 | 114.9 | 175.2 | -64.8 | 168.7 | 0 | 0 | 0 | 107 | T13 F63 L66 I84 R88 L92 | T13-I15 HydrophobicContact CG2-CG1 4.3Å; T13-I15 PolarHBondContact O-N 3.37Å; I15-F63 HydrophobicContact CG2-CE1 3.77Å; I15-F63 HydrophobicContact CG2-CZ 4.25Å; I15-L66 HydrophobicContact CD1-CD1 3.92Å; I15-I84 HydrophobicContact CD1-CD1 3.81Å; I15-I84 HydrophobicContact CD1-CG1 4.26Å; I15-R88 PolarHBondContact O-NH1 2.94Å; I15-L92 HydrophobicContact CD1-CD1 3.47Å; I15-L92 VanDerWaalsContact CD1-CD1 3.47Å; I15-L92 HydrophobicContact CD1-CD2 4.11Å; I15-L92 HydrophobicContact CD1-CG 4.38Å; I15-L92 HydrophobicContact CG2-CD2 4Å | ||
| 16 | D | 92.3 | Very high | 83 | Confident | 46 Ų | 46 | 68 Ų | 68 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | trans | -73.8 | 116.2 | 166.4 | -176.5 | -33.8 | 0 | 0 | 0 | 109.3 | D18 V19 Y20 R36 H59 | D16-D18 WeakPolarHBondContact OD1-CB 3.48Å; D16-D18 PolarHBondContact OD1-N 3.4Å; D16-V19 HydrophobicContact CB-CB 4.09Å; D16-V19 HydrophobicContact CB-CG2 3.79Å; D16-V19 PolarHBondContact O-N 2.83Å; D16-V19 PolarHBondContact OD1-N 3.03Å; D16-V19 VanDerWaalsContact OD1-N 3.12Å; D16-V19 WeakPolarHBondContact OD2-CG2 3.37Å; D16-Y20 WeakPolarHBondContact O-CB 3.37Å; D16-Y20 PolarHBondContact O-N 3.44Å; D16-R36 IonicContact OD2-CZ 3.3Å; D16-R36 IonicContact OD2-NH2 3.11Å; D16-R36 PolarHBondContact OD2-NH2 2.88Å; D16-H59 WeakPolarHBondContact CB-NE2 3.35Å; D16-H59 PolarHBondContact N-NE2 3.33Å | ||
| 17 | E | 92.8 | Very high | 85.1 | Confident | 77 Ų | 77 | 65 Ų | 65 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.6 | -30.9 | -177.6 | -70.6 | -173.1 | -151.8 | 0 | 0 | 113.6 | Y20 R21 L91 R95 | E17-Y20 PolarHBondContact O-N 3.23Å; E17-R21 PolarHBondContact O-N 3.35Å; E17-L91 VanDerWaalsContact CD-CD2 3.41Å; E17-L91 HydrophobicContact CG-CD2 4.03Å; E17-L91 VanDerWaalsContact OE1-CD2 3.3Å; E17-L91 WeakPolarHBondContact OE1-CD2 3.16Å; E17-R95 IonicContact OE2-CZ 3.67Å; E17-R95 IonicContact OE2-NH1 3.46Å; E17-R95 PolarHBondContact OE2-NH1 3.02Å; E17-R95 IonicContact OE2-NH2 3.68Å; E17-R95 PolarHBondContact OE2-NH2 3.2Å |
| 18 | D | 92.6 | Very high | 87 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.8 | -41.9 | 177.9 | -79.6 | -48.2 | 0 | 0 | 0 | 110 | D16 Y20 R21 L22 | D16-D18 WeakPolarHBondContact OD1-CB 3.48Å; D16-D18 PolarHBondContact OD1-N 3.4Å; D18-Y20 VanDerWaalsContact C-N 3.29Å; D18-Y20 PolarHBondContact O-N 3.14Å; D18-R21 PolarHBondContact O-N 3.31Å; D18-R21 IonicContact OD1-CZ 2.96Å; D18-R21 IonicContact OD1-NH1 3.37Å; D18-R21 IonicContact OD1-NH2 2.77Å; D18-R21 PolarHBondContact OD1-NH2 2.95Å; D18-L22 VanDerWaalsContact O-CG 3.32Å; D18-L22 WeakPolarHBondContact O-CG 3.36Å; D18-L22 PolarHBondContact O-N 3.1Å |
| 19 | V | 96.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | 174.2 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | D16 L22 W23 T56 H59 Y60 F63 | D16-V19 HydrophobicContact CB-CB 4.09Å; D16-V19 HydrophobicContact CB-CG2 3.79Å; D16-V19 PolarHBondContact O-N 2.83Å; D16-V19 PolarHBondContact OD1-N 3.03Å; D16-V19 VanDerWaalsContact OD1-N 3.12Å; D16-V19 WeakPolarHBondContact OD2-CG2 3.37Å; V19-L22 PolarHBondContact O-N 3.07Å; V19-W23 PolarHBondContact O-N 3.36Å; V19-T56 HydrophobicContact CG1-CG2 4Å; V19-H59 HydrophobicContact CB-CB 4.36Å; V19-H59 HydrophobicContact CG1-CB 3.72Å; V19-Y60 HydrophobicContact CG1-CD2 3.87Å; V19-Y60 HydrophobicContact CG1-CE2 3.71Å; V19-F63 HydrophobicContact CB-CE2 4.27Å; V19-F63 HydrophobicContact CB-CZ 4.41Å; V19-F63 HydrophobicContact CG1-CE2 3.91Å; V19-F63 HydrophobicContact CG1-CZ 4.42Å |
| 20 | Y | 97.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.3 | -171.8 | -118.9 | 0 | 0 | 0 | 111.9 | D16 E17 D18 L22 W23 L24 F63 L70 L92 R95 | D16-Y20 WeakPolarHBondContact O-CB 3.37Å; D16-Y20 PolarHBondContact O-N 3.44Å; E17-Y20 PolarHBondContact O-N 3.23Å; D18-Y20 VanDerWaalsContact C-N 3.29Å; D18-Y20 PolarHBondContact O-N 3.14Å; Y20-L22 PolarHBondContact O-N 3.21Å; Y20-W23 AromaticContact CD2-CE3 3.94Å; Y20-W23 HydrophobicContact CD2-CE3 3.94Å; Y20-W23 HydrophobicContact CD2-CZ3 4.4Å; Y20-W23 AromaticContact CE2-CE3 3.63Å; Y20-W23 HydrophobicContact CE2-CE3 3.63Å; Y20-W23 AromaticContact CE2-CZ3 3.63Å; Y20-W23 HydrophobicContact CE2-CZ3 3.63Å; Y20-W23 PolarHBondContact O-N 3.2Å; Y20-L24 HydrophobicContact CD1-CD1 3.81Å; Y20-L24 HydrophobicContact CD1-CG 4.35Å; Y20-L24 HydrophobicContact CE1-CD1 3.5Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.5Å; Y20-L24 HydrophobicContact CE1-CD2 4.43Å; Y20-L24 HydrophobicContact CE1-CG 4.09Å; Y20-L24 HydrophobicContact CE2-CD2 4.4Å; Y20-L24 HydrophobicContact CE2-CG 4.39Å; Y20-L24 VanDerWaalsContact O-CG 3.31Å; Y20-L24 WeakPolarHBondContact O-CG 3.36Å; Y20-L24 PolarHBondContact O-N 3.16Å; Y20-F63 VanDerWaalsContact CA-CE2 3.48Å; Y20-F63 AromaticContact CD2-CD1 3.8Å; Y20-F63 HydrophobicContact CD2-CD1 3.8Å; Y20-F63 HydrophobicContact CD2-CD2 4.07Å; Y20-F63 AromaticContact CD2-CE1 3.81Å; Y20-F63 HydrophobicContact CD2-CE1 3.81Å; Y20-F63 HydrophobicContact CD2-CE2 4.04Å; Y20-F63 AromaticContact CD2-CG 3.95Å; Y20-F63 HydrophobicContact CD2-CG 3.95Å; Y20-F63 AromaticContact CD2-CZ 3.92Å; Y20-F63 HydrophobicContact CD2-CZ 3.92Å; Y20-F63 HydrophobicContact CE2-CD1 4.33Å; Y20-F63 HydrophobicContact CE2-CG 4.43Å; Y20-F63 HydrophobicContact CG-CE1 4.46Å; Y20-F63 HydrophobicContact CG-CZ 4.33Å; Y20-L70 VanDerWaalsContact OH-CD1 3.28Å; Y20-L70 WeakPolarHBondContact OH-CD1 3.32Å; Y20-L92 HydrophobicContact CD1-CD2 3.78Å; Y20-L92 HydrophobicContact CD2-CD2 4.25Å; Y20-L92 HydrophobicContact CE1-CB 4.45Å; Y20-L92 HydrophobicContact CE1-CD2 3.59Å; Y20-L92 HydrophobicContact CE2-CD2 4.1Å; Y20-L92 HydrophobicContact CG-CD2 4.11Å; Y20-L92 PolarHBondContact OH-O 3.47Å; Y20-R95 HydrophobicContact CE1-CB 4.03Å |
| 21 | R | 96.9 | Very high | 92.3 | Very high | 115 Ų | 115 | 56.8 Ų | 56.8 | 43% | 0.434 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 173.7 | -177.1 | -172.9 | 61.2 | -146.5 | -19.5 | 111.3 | E17 D18 W23 L24 D25 | E17-R21 PolarHBondContact O-N 3.35Å; D18-R21 PolarHBondContact O-N 3.31Å; D18-R21 IonicContact OD1-CZ 2.96Å; D18-R21 IonicContact OD1-NH1 3.37Å; D18-R21 IonicContact OD1-NH2 2.77Å; D18-R21 PolarHBondContact OD1-NH2 2.95Å; R21-W23 VanDerWaalsContact C-N 3.3Å; R21-W23 PolarHBondContact O-N 2.86Å; R21-L24 WeakPolarHBondContact O-CB 3.39Å; R21-L24 PolarHBondContact O-N 3.47Å; R21-L24 VanDerWaalsContact O-N 3.16Å; R21-D25 WeakPolarHBondContact O-CB 3.44Å; R21-D25 PolarHBondContact O-N 3.37Å |
| 22 | L | 97.5 | Very high | 93.7 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 179.3 | -67.7 | 171 | 0 | 0 | 0 | 112.7 | D18 V19 Y20 G26 Y27 A32 L35 R36 | D18-L22 VanDerWaalsContact O-CG 3.32Å; D18-L22 WeakPolarHBondContact O-CG 3.36Å; D18-L22 PolarHBondContact O-N 3.1Å; V19-L22 PolarHBondContact O-N 3.07Å; Y20-L22 PolarHBondContact O-N 3.21Å; L22-G26 PolarHBondContact O-N 3.17Å; L22-Y27 HydrophobicContact CB-CD2 4.34Å; L22-Y27 HydrophobicContact CD2-CD2 3.75Å; L22-Y27 HydrophobicContact CD2-CE2 4.1Å; L22-Y27 WeakPolarHBondContact O-CB 3.44Å; L22-Y27 WeakPolarHBondContact O-CD2 3.35Å; L22-Y27 PolarHBondContact O-N 3.02Å; L22-Y27 VanDerWaalsContact O-N 3.07Å; L22-A32 HydrophobicContact CB-CB 4.04Å; L22-A32 HydrophobicContact CD1-CB 3.92Å; L22-L35 HydrophobicContact CD2-CB 4.43Å; L22-L35 HydrophobicContact CD2-CD1 3.66Å; L22-R36 HydrophobicContact CD1-CG 3.93Å |
| 23 | W | 98 | Very high | 94.5 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 174.1 | 175.1 | 77 | 0 | 0 | 0 | 111.8 | V19 Y20 R21 G26 Y60 F63 H64 E67 Y96 | V19-W23 PolarHBondContact O-N 3.36Å; Y20-W23 AromaticContact CD2-CE3 3.94Å; Y20-W23 HydrophobicContact CD2-CE3 3.94Å; Y20-W23 HydrophobicContact CD2-CZ3 4.4Å; Y20-W23 AromaticContact CE2-CE3 3.63Å; Y20-W23 HydrophobicContact CE2-CE3 3.63Å; Y20-W23 AromaticContact CE2-CZ3 3.63Å; Y20-W23 HydrophobicContact CE2-CZ3 3.63Å; Y20-W23 PolarHBondContact O-N 3.2Å; R21-W23 VanDerWaalsContact C-N 3.3Å; R21-W23 PolarHBondContact O-N 2.86Å; W23-G26 WeakPolarHBondContact O-CA 3.4Å; W23-G26 PolarHBondContact O-N 3.31Å; W23-Y60 WeakPolarHBondContact CA-OH 3.49Å; W23-Y60 HydrophobicContact CB-CD2 4.44Å; W23-Y60 HydrophobicContact CB-CE1 4.27Å; W23-Y60 HydrophobicContact CB-CE2 3.92Å; W23-Y60 AromaticContact CD1-CD1 3.7Å; W23-Y60 AromaticContact CD1-CE1 3.7Å; W23-Y60 HydrophobicContact CG-CE1 4.4Å; W23-Y60 PolarHBondContact N-OH 3.43Å; W23-F63 HydrophobicContact CB-CD2 3.68Å; W23-F63 HydrophobicContact CB-CE2 4.11Å; W23-F63 HydrophobicContact CD2-CB 3.79Å; W23-F63 HydrophobicContact CD2-CD2 4.02Å; W23-F63 HydrophobicContact CD2-CG 4.28Å; W23-F63 HydrophobicContact CE3-CB 4.06Å; W23-F63 HydrophobicContact CE3-CD2 4.36Å; W23-F63 HydrophobicContact CE3-CG 4.41Å; W23-F63 HydrophobicContact CG-CB 4.2Å; W23-F63 AromaticContact CG-CD2 3.71Å; W23-F63 HydrophobicContact CG-CD2 3.71Å; W23-F63 HydrophobicContact CG-CG 4.4Å; W23-F63 HydrophobicContact CH2-CB 4.42Å; W23-F63 HydrophobicContact CZ2-CB 4.19Å; W23-F63 HydrophobicContact CZ3-CB 4.36Å; W23-H64 AromaticContact CD1-CE1 3.99Å; W23-H64 AromaticContact NE1-CE1 3.36Å; W23-H64 PolarHBondContact NE1-CE1 3.16Å; W23-H64 AromaticContact NE1-ND1 3.64Å; W23-E67 HydrophobicContact CH2-CB 4.09Å; W23-E67 HydrophobicContact CH2-CG 4.15Å; W23-E67 HydrophobicContact CZ2-CB 4.32Å; W23-E67 HydrophobicContact CZ2-CG 4.44Å; W23-Y96 HydrophobicContact CH2-CD2 4.23Å; W23-Y96 AromaticContact CH2-CE2 3.8Å; W23-Y96 HydrophobicContact CH2-CE2 3.8Å; W23-Y96 AromaticContact CZ3-CD2 3.97Å; W23-Y96 HydrophobicContact CZ3-CD2 3.97Å; W23-Y96 HydrophobicContact CZ3-CE2 4.01Å |
| 24 | L | 97.4 | Very high | 95 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 174.5 | -72.2 | 179.6 | 0 | 0 | 0 | 110.8 | Y20 R21 G26 R95 Y96 R136 | Y20-L24 HydrophobicContact CD1-CD1 3.81Å; Y20-L24 HydrophobicContact CD1-CG 4.35Å; Y20-L24 HydrophobicContact CE1-CD1 3.5Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.5Å; Y20-L24 HydrophobicContact CE1-CD2 4.43Å; Y20-L24 HydrophobicContact CE1-CG 4.09Å; Y20-L24 HydrophobicContact CE2-CD2 4.4Å; Y20-L24 HydrophobicContact CE2-CG 4.39Å; Y20-L24 VanDerWaalsContact O-CG 3.31Å; Y20-L24 WeakPolarHBondContact O-CG 3.36Å; Y20-L24 PolarHBondContact O-N 3.16Å; R21-L24 WeakPolarHBondContact O-CB 3.39Å; R21-L24 PolarHBondContact O-N 3.47Å; R21-L24 VanDerWaalsContact O-N 3.16Å; L24-G26 PolarHBondContact O-N 2.96Å; L24-R95 HydrophobicContact CD1-CB 3.81Å; L24-R95 WeakPolarHBondContact CD1-O 3.33Å; L24-Y96 HydrophobicContact CD2-CD2 3.7Å; L24-Y96 HydrophobicContact CD2-CE2 4.44Å; L24-Y96 HydrophobicContact CD2-CG 4.49Å; L24-R136 VanDerWaalsContact CB-NH1 3.35Å; L24-R136 PolarHBondContact O-NH1 3.35Å |
| 25 | D | 96.4 | Very high | 95.5 | Very high | 55 Ų | 55 | 43.9 Ų | 43.9 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -5.4 | 177.2 | -63.9 | -16.4 | 0 | 0 | 0 | 112.8 | R21 Y27 T130 | R21-D25 WeakPolarHBondContact O-CB 3.44Å; R21-D25 PolarHBondContact O-N 3.37Å; D25-Y27 HydrophobicContact CB-CD2 3.67Å; D25-Y27 HydrophobicContact CB-CE2 3.58Å; D25-T130 WeakPolarHBondContact O-CB 3.31Å; D25-T130 WeakPolarHBondContact O-CG2 3.11Å; D25-T130 PolarHBondContact O-OG1 2.88Å |
| 26 | G | 96.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 12.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L22 W23 L24 K132 | L22-G26 PolarHBondContact O-N 3.17Å; W23-G26 WeakPolarHBondContact O-CA 3.4Å; W23-G26 PolarHBondContact O-N 3.31Å; L24-G26 PolarHBondContact O-N 2.96Å; G26-K132 WeakPolarHBondContact O-CD 3.48Å |
| 27 | Y | 97.1 | Very high | 95.6 | Very high | 85 Ų | 85 | 45 Ų | 45 | 33% | 0.333 | 24% | 0.239 | S | C | . | . | trans | -65.8 | 141.5 | 175.9 | -68.4 | -71.2 | 0 | 0 | 0 | 111.1 | L22 D25 D31 L35 Y60 | L22-Y27 HydrophobicContact CB-CD2 4.34Å; L22-Y27 HydrophobicContact CD2-CD2 3.75Å; L22-Y27 HydrophobicContact CD2-CE2 4.1Å; L22-Y27 WeakPolarHBondContact O-CB 3.44Å; L22-Y27 WeakPolarHBondContact O-CD2 3.35Å; L22-Y27 PolarHBondContact O-N 3.02Å; L22-Y27 VanDerWaalsContact O-N 3.07Å; D25-Y27 HydrophobicContact CB-CD2 3.67Å; D25-Y27 HydrophobicContact CB-CE2 3.58Å; Y27-D31 HydrophobicContact CD1-CB 3.96Å; Y27-D31 HydrophobicContact CG-CB 4.48Å; Y27-L35 HydrophobicContact CD1-CD1 3.99Å; Y27-L35 HydrophobicContact CD2-CD1 4.09Å; Y27-L35 HydrophobicContact CE1-CD1 3.95Å; Y27-L35 HydrophobicContact CE2-CD1 4.05Å; Y27-L35 HydrophobicContact CG-CD1 4.06Å; Y27-Y60 VanDerWaalsContact O-CE1 3.29Å; Y27-Y60 WeakPolarHBondContact O-CE1 3.48Å; Y27-Y60 PolarHBondContact O-OH 2.83Å | ||
| 28 | S | 96.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | trans | -67.5 | 164.6 | 170 | 74.9 | 0 | 0 | 0 | 0 | 110.6 | T30 D31 A32 | S28-T30 PolarHBondContact O-N 3.43Å; S28-T30 PolarHBondContact OG-N 2.77Å; S28-D31 WeakPolarHBondContact CB-OD2 3.41Å; S28-D31 PolarHBondContact N-OD2 2.92Å; S28-D31 PolarHBondContact O-N 2.69Å; S28-D31 PolarHBondContact OG-N 2.75Å; S28-D31 VanDerWaalsContact OG-N 3.16Å; S28-D31 PolarHBondContact OG-OD2 3.44Å; S28-A32 VanDerWaalsContact O-CB 3.31Å; S28-A32 WeakPolarHBondContact O-CB 3.19Å; S28-A32 PolarHBondContact O-N 2.92Å | ||
| 29 | V | 96.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 51 Ų | 51 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.5 | -43 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | A32 V33 T56 M57 Y60 | V29-A32 PolarHBondContact O-N 3.13Å; V29-V33 HydrophobicContact CG1-CG2 4.38Å; V29-V33 WeakPolarHBondContact O-CB 3.37Å; V29-V33 WeakPolarHBondContact O-CG2 3.36Å; V29-V33 PolarHBondContact O-N 2.9Å; V29-T56 HydrophobicContact CG1-CG2 4.18Å; V29-M57 HydrophobicContact CG1-CB 4.17Å; V29-Y60 HydrophobicContact CG2-CD1 3.46Å; V29-Y60 VanDerWaalsContact CG2-CD1 3.46Å; V29-Y60 HydrophobicContact CG2-CD2 4.45Å; V29-Y60 HydrophobicContact CG2-CE1 3.98Å; V29-Y60 HydrophobicContact CG2-CG 3.74Å |
| 30 | T | 95.6 | Very high | 94.9 | Very high | 99 Ų | 99 | 51.7 Ų | 51.7 | 61% | 0.607 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.3 | -46.5 | 179.2 | -50.2 | 0 | 0 | 0 | 0 | 112.1 | S28 V33 A34 | S28-T30 PolarHBondContact O-N 3.43Å; S28-T30 PolarHBondContact OG-N 2.77Å; T30-V33 PolarHBondContact O-N 3.35Å; T30-A34 PolarHBondContact O-N 3.44Å |
| 31 | D | 96.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | -179.8 | -55.9 | -43.6 | 0 | 0 | 0 | 111.2 | Y27 S28 A34 L35 | Y27-D31 HydrophobicContact CD1-CB 3.96Å; Y27-D31 HydrophobicContact CG-CB 4.48Å; S28-D31 WeakPolarHBondContact CB-OD2 3.41Å; S28-D31 PolarHBondContact N-OD2 2.92Å; S28-D31 PolarHBondContact O-N 2.69Å; S28-D31 PolarHBondContact OG-N 2.75Å; S28-D31 VanDerWaalsContact OG-N 3.16Å; S28-D31 PolarHBondContact OG-OD2 3.44Å; D31-A34 PolarHBondContact O-N 3.32Å; D31-L35 WeakPolarHBondContact O-CG 3.45Å; D31-L35 PolarHBondContact O-N 2.98Å |
| 32 | A | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L22 S28 V29 L35 R36 T56 Y60 | L22-A32 HydrophobicContact CB-CB 4.04Å; L22-A32 HydrophobicContact CD1-CB 3.92Å; S28-A32 VanDerWaalsContact O-CB 3.31Å; S28-A32 WeakPolarHBondContact O-CB 3.19Å; S28-A32 PolarHBondContact O-N 2.92Å; V29-A32 PolarHBondContact O-N 3.13Å; A32-L35 PolarHBondContact O-N 3.21Å; A32-R36 WeakPolarHBondContact O-CB 3.3Å; A32-R36 VanDerWaalsContact O-CG 3.31Å; A32-R36 WeakPolarHBondContact O-CG 3.44Å; A32-R36 PolarHBondContact O-N 2.93Å; A32-T56 HydrophobicContact CB-CG2 4.07Å; A32-Y60 HydrophobicContact CB-CE2 4.25Å; A32-Y60 WeakPolarHBondContact CB-OH 3.47Å |
| 33 | V | 95.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 11% | 0.109 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 173.1 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | V29 T30 L35 R36 V37 L52 Q53 T56 | V29-V33 HydrophobicContact CG1-CG2 4.38Å; V29-V33 WeakPolarHBondContact O-CB 3.37Å; V29-V33 WeakPolarHBondContact O-CG2 3.36Å; V29-V33 PolarHBondContact O-N 2.9Å; T30-V33 PolarHBondContact O-N 3.35Å; V33-L35 VanDerWaalsContact C-N 3.29Å; V33-L35 PolarHBondContact O-N 2.93Å; V33-R36 PolarHBondContact O-N 3.23Å; V33-V37 HydrophobicContact CG1-CG2 4.34Å; V33-V37 WeakPolarHBondContact O-CG2 3.42Å; V33-V37 PolarHBondContact O-N 3.21Å; V33-L52 HydrophobicContact CG1-CD2 4.4Å; V33-Q53 HydrophobicContact CG1-CB 4.46Å; V33-Q53 HydrophobicContact CG2-CB 4.2Å; V33-Q53 HydrophobicContact CG2-CG 4.3Å; V33-T56 HydrophobicContact CG2-CG2 3.96Å; V33-T56 WeakPolarHBondContact CG2-OG1 3.48Å |
| 34 | A | 94.7 | Very high | 92.8 | Very high | 45 Ų | 45 | 63.5 Ų | 63.5 | 37% | 0.372 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T30 D31 R38 | T30-A34 PolarHBondContact O-N 3.44Å; D31-A34 PolarHBondContact O-N 3.32Å; A34-R38 WeakPolarHBondContact O-CG 3.39Å; A34-R38 PolarHBondContact O-N 2.89Å; A34-R38 VanDerWaalsContact O-N 3.16Å |
| 35 | L | 94.3 | Very high | 92.2 | Very high | 62 Ų | 62 | 66.9 Ų | 66.9 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 175.2 | -71 | 170.4 | 0 | 0 | 0 | 112.2 | L22 Y27 D31 A32 V33 V37 R38 S39 | L22-L35 HydrophobicContact CD2-CB 4.43Å; L22-L35 HydrophobicContact CD2-CD1 3.66Å; Y27-L35 HydrophobicContact CD1-CD1 3.99Å; Y27-L35 HydrophobicContact CD2-CD1 4.09Å; Y27-L35 HydrophobicContact CE1-CD1 3.95Å; Y27-L35 HydrophobicContact CE2-CD1 4.05Å; Y27-L35 HydrophobicContact CG-CD1 4.06Å; D31-L35 WeakPolarHBondContact O-CG 3.45Å; D31-L35 PolarHBondContact O-N 2.98Å; A32-L35 PolarHBondContact O-N 3.21Å; V33-L35 VanDerWaalsContact C-N 3.29Å; V33-L35 PolarHBondContact O-N 2.93Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.49Å; L35-R38 PolarHBondContact O-N 2.91Å; L35-S39 PolarHBondContact O-N 3.45Å; L35-S39 VanDerWaalsContact O-N 3.1Å |
| 36 | R | 93.1 | Very high | 91.7 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 7% | 0.072 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 175.6 | -71.3 | 177.3 | 87 | -165.8 | 6.2 | 112.3 | D16 L22 A32 V33 S39 I41 L52 D55 T56 | D16-R36 IonicContact OD2-CZ 3.3Å; D16-R36 IonicContact OD2-NH2 3.11Å; D16-R36 PolarHBondContact OD2-NH2 2.88Å; L22-R36 HydrophobicContact CD1-CG 3.93Å; A32-R36 WeakPolarHBondContact O-CB 3.3Å; A32-R36 VanDerWaalsContact O-CG 3.31Å; A32-R36 WeakPolarHBondContact O-CG 3.44Å; A32-R36 PolarHBondContact O-N 2.93Å; V33-R36 PolarHBondContact O-N 3.23Å; R36-S39 PolarHBondContact O-N 3.12Å; R36-S39 PolarHBondContact O-OG 3.47Å; R36-I41 HydrophobicContact CB-CG2 4.24Å; R36-I41 WeakPolarHBondContact O-CG2 3.32Å; R36-L52 HydrophobicContact CB-CD1 4.35Å; R36-L52 HydrophobicContact CB-CD2 3.95Å; R36-L52 VanDerWaalsContact CZ-CD1 3.43Å; R36-D55 IonicContact CZ-OD2 3.77Å; R36-D55 IonicContact NH1-OD2 2.85Å; R36-D55 PolarHBondContact NH1-OD2 3.46Å; R36-D55 IonicContact NH2-OD2 2.88Å; R36-D55 PolarHBondContact NH2-OD2 3.01Å; R36-T56 PolarHBondContact NH1-OG1 3.01Å |
| 37 | V | 92.1 | Very high | 91.3 | Very high | 61 Ų | 61 | 68.7 Ų | 68.7 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | V33 L35 S39 G40 L42 L52 | V33-V37 HydrophobicContact CG1-CG2 4.34Å; V33-V37 WeakPolarHBondContact O-CG2 3.42Å; V33-V37 PolarHBondContact O-N 3.21Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.49Å; V37-S39 PolarHBondContact O-N 2.96Å; V37-G40 PolarHBondContact O-N 3.25Å; V37-G40 VanDerWaalsContact O-N 3.14Å; V37-L42 HydrophobicContact CG1-CD1 4.23Å; V37-L42 HydrophobicContact CG2-CD1 4.01Å; V37-L42 HydrophobicContact CG2-CG 4.48Å; V37-L52 HydrophobicContact CG2-CD2 3.65Å |
| 38 | R | 90.8 | Very high | 91 | Very high | 210 Ų | 210 | 68.6 Ų | 68.6 | 79% | 0.792 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.2 | -22.9 | 179.1 | -72.2 | 175.7 | -176.7 | -176.4 | 2.3 | 113.8 | A34 L35 G40 | A34-R38 WeakPolarHBondContact O-CG 3.39Å; A34-R38 PolarHBondContact O-N 2.89Å; A34-R38 VanDerWaalsContact O-N 3.16Å; L35-R38 PolarHBondContact O-N 2.91Å; R38-G40 PolarHBondContact O-N 2.87Å |
| 39 | S | 89.1 | Confident | 90.7 | Very high | 79 Ų | 79 | 69.4 Ų | 69.4 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -3.5 | 175.4 | 71.7 | 0 | 0 | 0 | 0 | 113.8 | L35 R36 V37 | L35-S39 PolarHBondContact O-N 3.45Å; L35-S39 VanDerWaalsContact O-N 3.1Å; R36-S39 PolarHBondContact O-N 3.12Å; R36-S39 PolarHBondContact O-OG 3.47Å; V37-S39 PolarHBondContact O-N 2.96Å |
| 40 | G | 86.9 | Confident | 90.5 | Very high | 15 Ų | 15 | 70.9 Ų | 70.9 | 16% | 0.155 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 14.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V37 R38 L42 E43 Q44 | V37-G40 PolarHBondContact O-N 3.25Å; V37-G40 VanDerWaalsContact O-N 3.14Å; R38-G40 PolarHBondContact O-N 2.87Å; G40-L42 PolarHBondContact O-N 2.79Å; G40-L42 VanDerWaalsContact O-N 3.17Å; G40-E43 PolarHBondContact O-N 3.02Å; G40-E43 VanDerWaalsContact O-N 3.09Å; G40-Q44 PolarHBondContact O-N 3.35Å |
| 41 | I | 87.5 | Confident | 90.3 | Very high | 39 Ų | 39 | 70 Ų | 70 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.4 | -30.6 | -176.1 | -161 | 61.6 | 0 | 0 | 0 | 113 | R36 E43 Q44 T45 L52 | R36-I41 HydrophobicContact CB-CG2 4.24Å; R36-I41 WeakPolarHBondContact O-CG2 3.32Å; I41-E43 VanDerWaalsContact C-N 3.34Å; I41-Q44 PolarHBondContact O-N 3.49Å; I41-T45 HydrophobicContact CD1-CG2 4.13Å; I41-T45 HydrophobicContact CG1-CG2 4.11Å; I41-T45 WeakPolarHBondContact O-CB 3.25Å; I41-T45 WeakPolarHBondContact O-CG2 3.37Å; I41-T45 PolarHBondContact O-N 2.98Å; I41-T45 PolarHBondContact O-OG1 3.02Å; I41-L52 HydrophobicContact CG2-CD1 3.81Å; I41-L52 HydrophobicContact CG2-CD2 3.74Å; I41-L52 HydrophobicContact CG2-CG 4.44Å |
| 42 | L | 86.2 | Confident | 90.2 | Very high | 39 Ų | 39 | 66.5 Ų | 66.5 | 20% | 0.204 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 178.9 | -62.4 | -176.2 | 0 | 0 | 0 | 111.5 | V37 G40 G46 A47 A49 L52 | V37-L42 HydrophobicContact CG1-CD1 4.23Å; V37-L42 HydrophobicContact CG2-CD1 4.01Å; V37-L42 HydrophobicContact CG2-CG 4.48Å; G40-L42 PolarHBondContact O-N 2.79Å; G40-L42 VanDerWaalsContact O-N 3.17Å; L42-G46 WeakPolarHBondContact O-CA 3.31Å; L42-G46 PolarHBondContact O-N 3.38Å; L42-A47 HydrophobicContact CD2-CB 4.47Å; L42-A47 WeakPolarHBondContact CD2-O 3.36Å; L42-A49 HydrophobicContact CD1-CB 4.29Å; L42-L52 HydrophobicContact CD2-CB 3.89Å; L42-L52 HydrophobicContact CD2-CD2 3.76Å; L42-L52 HydrophobicContact CD2-CG 4.36Å; L42-L52 HydrophobicContact CG-CD2 4.29Å |
| 43 | E | 85.6 | Confident | 90.1 | Very high | 179 Ų | 179 | 71.6 Ų | 71.6 | 84% | 0.836 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -70.7 | -35.5 | 177.7 | -62.6 | 172.7 | 177.6 | 0 | 0 | 111.1 | G40 I41 | G40-E43 PolarHBondContact O-N 3.02Å; G40-E43 VanDerWaalsContact O-N 3.09Å; I41-E43 VanDerWaalsContact C-N 3.34Å |
| 44 | Q | 85.2 | Confident | 90.1 | Very high | 150 Ų | 150 | 73.8 Ų | 73.8 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -73 | -37.2 | 179 | -65 | 173.9 | 12.6 | 0 | 0 | 112.8 | G40 I41 | G40-Q44 PolarHBondContact O-N 3.35Å; I41-Q44 PolarHBondContact O-N 3.49Å |
| 45 | T | 85.1 | Confident | 90 | Very high | 83 Ų | 83 | 74.3 Ų | 74.3 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -98.4 | -18.3 | -173.2 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | I41 A47 | I41-T45 HydrophobicContact CD1-CG2 4.13Å; I41-T45 HydrophobicContact CG1-CG2 4.11Å; I41-T45 WeakPolarHBondContact O-CB 3.25Å; I41-T45 WeakPolarHBondContact O-CG2 3.37Å; I41-T45 PolarHBondContact O-N 2.98Å; I41-T45 PolarHBondContact O-OG1 3.02Å; T45-A47 PolarHBondContact O-N 3.47Å; T45-A47 WeakPolarHBondContact OG1-CB 3.36Å; T45-A47 PolarHBondContact OG1-N 3.03Å |
| 46 | G | 85.5 | Confident | 90.1 | Very high | 69 Ų | 69 | 71.3 Ų | 71.3 | 71% | 0.711 | 41% | 0.413 | S | S | * | . | trans | 67 | 10.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L42 | L42-G46 WeakPolarHBondContact O-CA 3.31Å; L42-G46 PolarHBondContact O-N 3.38Å | ||
| 47 | A | 88.8 | Confident | 90.2 | Very high | 34 Ų | 34 | 74.4 Ų | 74.4 | 28% | 0.281 | 43% | 0.43 | S | S | . | . | trans | -75.4 | 157.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L42 T45 V51 | L42-A47 HydrophobicContact CD2-CB 4.47Å; L42-A47 WeakPolarHBondContact CD2-O 3.36Å; T45-A47 PolarHBondContact O-N 3.47Å; T45-A47 WeakPolarHBondContact OG1-CB 3.36Å; T45-A47 PolarHBondContact OG1-N 3.03Å; A47-V51 HydrophobicContact CB-CB 4.48Å; A47-V51 HydrophobicContact CB-CG1 4.3Å | ||
| 48 | T | 90.4 | Very high | 90.4 | Very high | 84 Ų | 84 | 74.8 Ų | 74.8 | 52% | 0.515 | 43% | 0.43 | S | S | . | . | trans | -86 | 157.1 | 171.8 | 69.1 | 0 | 0 | 0 | 0 | 110.8 | A50 V51 L52 | T48-A50 PolarHBondContact O-N 3.35Å; T48-V51 PolarHBondContact O-N 2.96Å; T48-V51 VanDerWaalsContact O-N 3.07Å; T48-V51 WeakPolarHBondContact OG1-CG2 3.36Å; T48-V51 PolarHBondContact OG1-N 3.32Å; T48-L52 PolarHBondContact O-N 3.48Å | ||
| 49 | A | 89.9 | Confident | 90.6 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 45% | 0.446 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57 | -33.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L42 L52 Q53 | L42-A49 HydrophobicContact CD1-CB 4.29Å; A49-L52 PolarHBondContact O-N 3.29Å; A49-Q53 WeakPolarHBondContact O-CB 3.33Å; A49-Q53 PolarHBondContact O-N 3.42Å |
| 50 | A | 91.4 | Very high | 90.9 | Very high | 67 Ų | 67 | 62.8 Ų | 62.8 | 55% | 0.554 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.5 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T48 Q53 S54 | T48-A50 PolarHBondContact O-N 3.35Å; A50-Q53 PolarHBondContact O-N 2.79Å; A50-S54 PolarHBondContact O-N 3.45Å |
| 51 | V | 92.6 | Very high | 91.3 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | A47 T48 Q53 S54 D55 | A47-V51 HydrophobicContact CB-CB 4.48Å; A47-V51 HydrophobicContact CB-CG1 4.3Å; T48-V51 PolarHBondContact O-N 2.96Å; T48-V51 VanDerWaalsContact O-N 3.07Å; T48-V51 WeakPolarHBondContact OG1-CG2 3.36Å; T48-V51 PolarHBondContact OG1-N 3.32Å; V51-Q53 VanDerWaalsContact C-N 3.28Å; V51-Q53 PolarHBondContact O-N 2.87Å; V51-S54 PolarHBondContact O-N 3.16Å; V51-D55 WeakPolarHBondContact O-CB 3.31Å; V51-D55 PolarHBondContact O-N 3.21Å |
| 52 | L | 93.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 4% | 0.042 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 176.4 | -176.4 | 68.8 | 0 | 0 | 0 | 112.2 | V33 R36 V37 I41 L42 T48 A49 T56 | V33-L52 HydrophobicContact CG1-CD2 4.4Å; R36-L52 HydrophobicContact CB-CD1 4.35Å; R36-L52 HydrophobicContact CB-CD2 3.95Å; R36-L52 VanDerWaalsContact CZ-CD1 3.43Å; V37-L52 HydrophobicContact CG2-CD2 3.65Å; I41-L52 HydrophobicContact CG2-CD1 3.81Å; I41-L52 HydrophobicContact CG2-CD2 3.74Å; I41-L52 HydrophobicContact CG2-CG 4.44Å; L42-L52 HydrophobicContact CD2-CB 3.89Å; L42-L52 HydrophobicContact CD2-CD2 3.76Å; L42-L52 HydrophobicContact CD2-CG 4.36Å; L42-L52 HydrophobicContact CG-CD2 4.29Å; T48-L52 PolarHBondContact O-N 3.48Å; A49-L52 PolarHBondContact O-N 3.29Å; L52-T56 WeakPolarHBondContact O-CB 3.36Å; L52-T56 PolarHBondContact O-N 3.34Å; L52-T56 PolarHBondContact O-OG1 2.61Å |
| 53 | Q | 94.2 | Very high | 92 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 50% | 0.5 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 176.3 | -176.7 | 176.9 | 6.8 | 0 | 0 | 111.9 | V33 A49 A50 V51 T56 M57 | V33-Q53 HydrophobicContact CG1-CB 4.46Å; V33-Q53 HydrophobicContact CG2-CB 4.2Å; V33-Q53 HydrophobicContact CG2-CG 4.3Å; A49-Q53 WeakPolarHBondContact O-CB 3.33Å; A49-Q53 PolarHBondContact O-N 3.42Å; A50-Q53 PolarHBondContact O-N 2.79Å; V51-Q53 VanDerWaalsContact C-N 3.28Å; V51-Q53 PolarHBondContact O-N 2.87Å; Q53-T56 PolarHBondContact O-N 2.92Å; Q53-M57 WeakPolarHBondContact O-CB 3.15Å; Q53-M57 PolarHBondContact O-N 3.35Å |
| 54 | S | 94.8 | Very high | 92.4 | Very high | 64 Ų | 64 | 62.8 Ų | 62.8 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 176.2 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | A50 V51 T56 M57 D58 | A50-S54 PolarHBondContact O-N 3.45Å; V51-S54 PolarHBondContact O-N 3.16Å; S54-T56 PolarHBondContact O-N 3.25Å; S54-M57 WeakPolarHBondContact O-CB 3.44Å; S54-M57 PolarHBondContact O-N 2.94Å; S54-M57 VanDerWaalsContact O-N 3.13Å; S54-D58 PolarHBondContact O-N 3.28Å |
| 55 | D | 93.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 61.2 Ų | 61.2 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 177.6 | 172.4 | 71 | 0 | 0 | 0 | 112.1 | R36 V51 M57 D58 H59 | R36-D55 IonicContact CZ-OD2 3.77Å; R36-D55 IonicContact NH1-OD2 2.85Å; R36-D55 PolarHBondContact NH1-OD2 3.46Å; R36-D55 IonicContact NH2-OD2 2.88Å; R36-D55 PolarHBondContact NH2-OD2 3.01Å; V51-D55 WeakPolarHBondContact O-CB 3.31Å; V51-D55 PolarHBondContact O-N 3.21Å; D55-M57 VanDerWaalsContact C-N 3.31Å; D55-M57 PolarHBondContact O-N 2.75Å; D55-D58 PolarHBondContact O-N 3.46Å; D55-H59 PolarHBondContact O-N 3.22Å; D55-H59 PolarHBondContact O-ND1 2.82Å; D55-H59 IonicContact OD1-CE1 3.22Å; D55-H59 PolarHBondContact OD1-CE1 2.94Å; D55-H59 IonicContact OD1-ND1 3.79Å; D55-H59 PolarHBondContact OD1-ND1 3.5Å; D55-H59 IonicContact OD2-CE1 3.17Å; D55-H59 IonicContact OD2-ND1 3.31Å |
| 56 | T | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | V19 V29 A32 V33 R36 L52 Q53 S54 H59 Y60 | V19-T56 HydrophobicContact CG1-CG2 4Å; V29-T56 HydrophobicContact CG1-CG2 4.18Å; A32-T56 HydrophobicContact CB-CG2 4.07Å; V33-T56 HydrophobicContact CG2-CG2 3.96Å; V33-T56 WeakPolarHBondContact CG2-OG1 3.48Å; R36-T56 PolarHBondContact NH1-OG1 3.01Å; L52-T56 WeakPolarHBondContact O-CB 3.36Å; L52-T56 PolarHBondContact O-N 3.34Å; L52-T56 PolarHBondContact O-OG1 2.61Å; Q53-T56 PolarHBondContact O-N 2.92Å; S54-T56 PolarHBondContact O-N 3.25Å; T56-H59 PolarHBondContact O-N 2.97Å; T56-Y60 HydrophobicContact CG2-CD2 4.07Å; T56-Y60 HydrophobicContact CG2-CE2 3.96Å; T56-Y60 VanDerWaalsContact O-CD2 3.25Å; T56-Y60 WeakPolarHBondContact O-CD2 3.45Å; T56-Y60 PolarHBondContact O-N 2.89Å |
| 57 | M | 96.2 | Very high | 93.5 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 41% | 0.414 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | -179.9 | -169.7 | 177.6 | -166.8 | 0 | 0 | 111.9 | V29 Q53 S54 D55 Y60 R61 | V29-M57 HydrophobicContact CG1-CB 4.17Å; Q53-M57 WeakPolarHBondContact O-CB 3.15Å; Q53-M57 PolarHBondContact O-N 3.35Å; S54-M57 WeakPolarHBondContact O-CB 3.44Å; S54-M57 PolarHBondContact O-N 2.94Å; S54-M57 VanDerWaalsContact O-N 3.13Å; D55-M57 VanDerWaalsContact C-N 3.31Å; D55-M57 PolarHBondContact O-N 2.75Å; M57-Y60 PolarHBondContact O-N 3.13Å; M57-R61 WeakPolarHBondContact O-CG 3.46Å; M57-R61 PolarHBondContact O-N 3.38Å |
| 58 | D | 94.9 | Very high | 93.5 | Very high | 69 Ų | 69 | 65.3 Ų | 65.3 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 179.3 | -68.8 | -27.5 | 0 | 0 | 0 | 112.1 | S54 D55 R61 T62 | S54-D58 PolarHBondContact O-N 3.28Å; D55-D58 PolarHBondContact O-N 3.46Å; D58-R61 PolarHBondContact O-N 3.16Å; D58-R61 IonicContact OD1-CZ 2.77Å; D58-R61 IonicContact OD1-NH1 3.86Å; D58-R61 PolarHBondContact OD1-NH1 2.94Å; D58-T62 PolarHBondContact O-N 3.39Å; D58-T62 PolarHBondContact O-OG1 3.37Å |
| 59 | H | 95.4 | Very high | 93.6 | Very high | 23 Ų | 23 | 62.8 Ų | 62.8 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 168.7 | -80.9 | 92.5 | 0 | 0 | 0 | 111.6 | D16 V19 D55 T56 R61 T62 F63 | D16-H59 WeakPolarHBondContact CB-NE2 3.35Å; D16-H59 PolarHBondContact N-NE2 3.33Å; V19-H59 HydrophobicContact CB-CB 4.36Å; V19-H59 HydrophobicContact CG1-CB 3.72Å; D55-H59 PolarHBondContact O-N 3.22Å; D55-H59 PolarHBondContact O-ND1 2.82Å; D55-H59 IonicContact OD1-CE1 3.22Å; D55-H59 PolarHBondContact OD1-CE1 2.94Å; D55-H59 IonicContact OD1-ND1 3.79Å; D55-H59 PolarHBondContact OD1-ND1 3.5Å; D55-H59 IonicContact OD2-CE1 3.17Å; D55-H59 IonicContact OD2-ND1 3.31Å; T56-H59 PolarHBondContact O-N 2.97Å; H59-R61 VanDerWaalsContact C-N 3.34Å; H59-R61 PolarHBondContact O-N 3.33Å; H59-T62 WeakPolarHBondContact O-CB 3.05Å; H59-T62 PolarHBondContact O-N 3.04Å; H59-T62 VanDerWaalsContact O-N 3.13Å; H59-F63 HydrophobicContact CB-CE2 4Å; H59-F63 HydrophobicContact CB-CZ 3.88Å; H59-F63 WeakPolarHBondContact O-CD1 3.5Å; H59-F63 WeakPolarHBondContact O-CD2 3.48Å; H59-F63 WeakPolarHBondContact O-CG 3.46Å; H59-F63 PolarHBondContact O-N 2.69Å |
| 60 | Y | 96.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 178 | -90.6 | -127.5 | 0 | 0 | 0 | 111.6 | V19 W23 Y27 V29 A32 T56 M57 T62 F63 H64 | V19-Y60 HydrophobicContact CG1-CD2 3.87Å; V19-Y60 HydrophobicContact CG1-CE2 3.71Å; W23-Y60 WeakPolarHBondContact CA-OH 3.49Å; W23-Y60 HydrophobicContact CB-CD2 4.44Å; W23-Y60 HydrophobicContact CB-CE1 4.27Å; W23-Y60 HydrophobicContact CB-CE2 3.92Å; W23-Y60 AromaticContact CD1-CD1 3.7Å; W23-Y60 AromaticContact CD1-CE1 3.7Å; W23-Y60 HydrophobicContact CG-CE1 4.4Å; W23-Y60 PolarHBondContact N-OH 3.43Å; Y27-Y60 VanDerWaalsContact O-CE1 3.29Å; Y27-Y60 WeakPolarHBondContact O-CE1 3.48Å; Y27-Y60 PolarHBondContact O-OH 2.83Å; V29-Y60 HydrophobicContact CG2-CD1 3.46Å; V29-Y60 VanDerWaalsContact CG2-CD1 3.46Å; V29-Y60 HydrophobicContact CG2-CD2 4.45Å; V29-Y60 HydrophobicContact CG2-CE1 3.98Å; V29-Y60 HydrophobicContact CG2-CG 3.74Å; A32-Y60 HydrophobicContact CB-CE2 4.25Å; A32-Y60 WeakPolarHBondContact CB-OH 3.47Å; T56-Y60 HydrophobicContact CG2-CD2 4.07Å; T56-Y60 HydrophobicContact CG2-CE2 3.96Å; T56-Y60 VanDerWaalsContact O-CD2 3.25Å; T56-Y60 WeakPolarHBondContact O-CD2 3.45Å; T56-Y60 PolarHBondContact O-N 2.89Å; M57-Y60 PolarHBondContact O-N 3.13Å; Y60-T62 VanDerWaalsContact C-N 3.3Å; Y60-T62 PolarHBondContact O-N 3.07Å; Y60-F63 HydrophobicContact CD2-CD2 4.35Å; Y60-F63 HydrophobicContact CD2-CE2 4.45Å; Y60-F63 PolarHBondContact O-N 3.25Å; Y60-F63 VanDerWaalsContact O-N 3.16Å; Y60-H64 PolarHBondContact O-N 3.16Å; Y60-H64 PolarHBondContact O-ND1 3.35Å |
| 61 | R | 95.1 | Very high | 94 | Very high | 135 Ų | 135 | 60.2 Ų | 60.2 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.7 | -45.8 | 175.1 | -73.2 | 168 | 174.2 | 159.5 | -5 | 111.4 | M57 D58 H59 F63 H64 M65 | M57-R61 WeakPolarHBondContact O-CG 3.46Å; M57-R61 PolarHBondContact O-N 3.38Å; D58-R61 PolarHBondContact O-N 3.16Å; D58-R61 IonicContact OD1-CZ 2.77Å; D58-R61 IonicContact OD1-NH1 3.86Å; D58-R61 PolarHBondContact OD1-NH1 2.94Å; H59-R61 VanDerWaalsContact C-N 3.34Å; H59-R61 PolarHBondContact O-N 3.33Å; R61-F63 PolarHBondContact O-N 3.14Å; R61-H64 PolarHBondContact O-N 3.03Å; R61-M65 WeakPolarHBondContact O-CG 3.29Å; R61-M65 PolarHBondContact O-N 3.25Å |
| 62 | T | 93.2 | Very high | 93.9 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | T13 D58 H59 Y60 H64 M65 L66 F82 | T13-T62 HydrophobicContact CG2-CG2 4.16Å; D58-T62 PolarHBondContact O-N 3.39Å; D58-T62 PolarHBondContact O-OG1 3.37Å; H59-T62 WeakPolarHBondContact O-CB 3.05Å; H59-T62 PolarHBondContact O-N 3.04Å; H59-T62 VanDerWaalsContact O-N 3.13Å; Y60-T62 VanDerWaalsContact C-N 3.3Å; Y60-T62 PolarHBondContact O-N 3.07Å; T62-H64 PolarHBondContact O-N 3.36Å; T62-M65 WeakPolarHBondContact O-CB 3.49Å; T62-M65 PolarHBondContact O-N 2.55Å; T62-M65 VanDerWaalsContact O-N 3.14Å; T62-L66 HydrophobicContact CG2-CD1 4.02Å; T62-L66 HydrophobicContact CG2-CG 4.45Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 2.99Å; T62-F82 HydrophobicContact CG2-CE1 4.16Å |
| 63 | F | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 179.5 | -56 | -25 | 0 | 0 | 0 | 113.2 | I15 V19 Y20 W23 H59 Y60 R61 M65 L66 E67 | I15-F63 HydrophobicContact CG2-CE1 3.77Å; I15-F63 HydrophobicContact CG2-CZ 4.25Å; V19-F63 HydrophobicContact CB-CE2 4.27Å; V19-F63 HydrophobicContact CB-CZ 4.41Å; V19-F63 HydrophobicContact CG1-CE2 3.91Å; V19-F63 HydrophobicContact CG1-CZ 4.42Å; Y20-F63 VanDerWaalsContact CA-CE2 3.48Å; Y20-F63 AromaticContact CD2-CD1 3.8Å; Y20-F63 HydrophobicContact CD2-CD1 3.8Å; Y20-F63 HydrophobicContact CD2-CD2 4.07Å; Y20-F63 AromaticContact CD2-CE1 3.81Å; Y20-F63 HydrophobicContact CD2-CE1 3.81Å; Y20-F63 HydrophobicContact CD2-CE2 4.04Å; Y20-F63 AromaticContact CD2-CG 3.95Å; Y20-F63 HydrophobicContact CD2-CG 3.95Å; Y20-F63 AromaticContact CD2-CZ 3.92Å; Y20-F63 HydrophobicContact CD2-CZ 3.92Å; Y20-F63 HydrophobicContact CE2-CD1 4.33Å; Y20-F63 HydrophobicContact CE2-CG 4.43Å; Y20-F63 HydrophobicContact CG-CE1 4.46Å; Y20-F63 HydrophobicContact CG-CZ 4.33Å; W23-F63 HydrophobicContact CB-CD2 3.68Å; W23-F63 HydrophobicContact CB-CE2 4.11Å; W23-F63 HydrophobicContact CD2-CB 3.79Å; W23-F63 HydrophobicContact CD2-CD2 4.02Å; W23-F63 HydrophobicContact CD2-CG 4.28Å; W23-F63 HydrophobicContact CE3-CB 4.06Å; W23-F63 HydrophobicContact CE3-CD2 4.36Å; W23-F63 HydrophobicContact CE3-CG 4.41Å; W23-F63 HydrophobicContact CG-CB 4.2Å; W23-F63 AromaticContact CG-CD2 3.71Å; W23-F63 HydrophobicContact CG-CD2 3.71Å; W23-F63 HydrophobicContact CG-CG 4.4Å; W23-F63 HydrophobicContact CH2-CB 4.42Å; W23-F63 HydrophobicContact CZ2-CB 4.19Å; W23-F63 HydrophobicContact CZ3-CB 4.36Å; H59-F63 HydrophobicContact CB-CE2 4Å; H59-F63 HydrophobicContact CB-CZ 3.88Å; H59-F63 WeakPolarHBondContact O-CD1 3.5Å; H59-F63 WeakPolarHBondContact O-CD2 3.48Å; H59-F63 WeakPolarHBondContact O-CG 3.46Å; H59-F63 PolarHBondContact O-N 2.69Å; Y60-F63 HydrophobicContact CD2-CD2 4.35Å; Y60-F63 HydrophobicContact CD2-CE2 4.45Å; Y60-F63 PolarHBondContact O-N 3.25Å; Y60-F63 VanDerWaalsContact O-N 3.16Å; R61-F63 PolarHBondContact O-N 3.14Å; F63-M65 VanDerWaalsContact C-N 3.28Å; F63-M65 PolarHBondContact O-N 3.41Å; F63-L66 HydrophobicContact CD1-CD1 4.5Å; F63-L66 PolarHBondContact O-N 3.2Å; F63-E67 WeakPolarHBondContact O-CB 3.34Å; F63-E67 PolarHBondContact O-N 2.93Å |
| 64 | H | 93.6 | Very high | 93.7 | Very high | 104 Ų | 104 | 54.4 Ų | 54.4 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -31.6 | 175.9 | -70.6 | 65.8 | 0 | 0 | 0 | 112.1 | W23 Y60 R61 T62 | W23-H64 AromaticContact CD1-CE1 3.99Å; W23-H64 AromaticContact NE1-CE1 3.36Å; W23-H64 PolarHBondContact NE1-CE1 3.16Å; W23-H64 AromaticContact NE1-ND1 3.64Å; Y60-H64 PolarHBondContact O-N 3.16Å; Y60-H64 PolarHBondContact O-ND1 3.35Å; R61-H64 PolarHBondContact O-N 3.03Å; T62-H64 PolarHBondContact O-N 3.36Å |
| 65 | M | 91.4 | Very high | 93.4 | Very high | 117 Ų | 117 | 58 Ų | 58 | 58% | 0.576 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -71.9 | -39.8 | 173.1 | -63 | 175.2 | 66.5 | 0 | 0 | 111.4 | R61 T62 F63 F82 | R61-M65 WeakPolarHBondContact O-CG 3.29Å; R61-M65 PolarHBondContact O-N 3.25Å; T62-M65 WeakPolarHBondContact O-CB 3.49Å; T62-M65 PolarHBondContact O-N 2.55Å; T62-M65 VanDerWaalsContact O-N 3.14Å; F63-M65 VanDerWaalsContact C-N 3.28Å; F63-M65 PolarHBondContact O-N 3.41Å; M65-F82 HydrophobicContact CB-CE2 4.38Å; M65-F82 HydrophobicContact CB-CZ 3.65Å; M65-F82 HydrophobicContact CE-CZ 4.03Å; M65-F82 HydrophobicContact SD-CZ 4.5Å |
| 66 | L | 92.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.4 | -30 | 177.1 | -73 | 174.6 | 0 | 0 | 0 | 113.5 | I15 T62 F63 R68 L69 L70 L76 F82 I84 | I15-L66 HydrophobicContact CD1-CD1 3.92Å; T62-L66 HydrophobicContact CG2-CD1 4.02Å; T62-L66 HydrophobicContact CG2-CG 4.45Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 2.99Å; F63-L66 HydrophobicContact CD1-CD1 4.5Å; F63-L66 PolarHBondContact O-N 3.2Å; L66-R68 VanDerWaalsContact C-N 3.25Å; L66-R68 PolarHBondContact O-N 2.99Å; L66-R68 VanDerWaalsContact O-N 3.16Å; L66-L69 HydrophobicContact CD2-CD1 4.21Å; L66-L69 WeakPolarHBondContact O-CA 3.27Å; L66-L69 WeakPolarHBondContact O-CB 3.21Å; L66-L69 PolarHBondContact O-N 2.9Å; L66-L70 PolarHBondContact O-N 3.25Å; L66-L76 HydrophobicContact CD2-CD1 4.13Å; L66-F82 HydrophobicContact CD2-CB 4.19Å; L66-F82 HydrophobicContact CD2-CD1 4.02Å; L66-F82 HydrophobicContact CD2-CD2 3.41Å; L66-F82 VanDerWaalsContact CD2-CD2 3.41Å; L66-F82 HydrophobicContact CD2-CE1 4.23Å; L66-F82 HydrophobicContact CD2-CE2 3.64Å; L66-F82 HydrophobicContact CD2-CG 3.6Å; L66-F82 HydrophobicContact CD2-CZ 4.04Å; L66-F82 HydrophobicContact CG-CD2 4.42Å; L66-F82 HydrophobicContact CG-CE1 4.36Å; L66-F82 HydrophobicContact CG-CE2 4.25Å; L66-F82 HydrophobicContact CG-CZ 4.22Å; L66-I84 HydrophobicContact CD1-CD1 4.26Å; L66-I84 HydrophobicContact CD2-CD1 3.85Å |
| 67 | E | 93.9 | Very high | 92.6 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54.1 | -40.4 | -174.6 | -176.3 | 172.8 | -147.9 | 0 | 0 | 112.9 | W23 F63 L69 L70 H71 Y96 | W23-E67 HydrophobicContact CH2-CB 4.09Å; W23-E67 HydrophobicContact CH2-CG 4.15Å; W23-E67 HydrophobicContact CZ2-CB 4.32Å; W23-E67 HydrophobicContact CZ2-CG 4.44Å; F63-E67 WeakPolarHBondContact O-CB 3.34Å; F63-E67 PolarHBondContact O-N 2.93Å; E67-L69 PolarHBondContact O-N 3.09Å; E67-L70 PolarHBondContact O-N 2.81Å; E67-L70 VanDerWaalsContact O-N 3.16Å; E67-H71 PolarHBondContact O-CD2 3.05Å; E67-H71 PolarHBondContact O-N 3.29Å; E67-Y96 HydrophobicContact CG-CE2 4.21Å; E67-Y96 PolarHBondContact OE1-OH 2.62Å |
| 68 | R | 90.1 | Very high | 91.9 | Very high | 210 Ų | 210 | 62.6 Ų | 62.6 | 79% | 0.792 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.4 | -31.1 | 177.1 | -67.7 | -174.7 | 178.2 | -177.9 | 0.5 | 113.1 | L66 | L66-R68 VanDerWaalsContact C-N 3.25Å; L66-R68 PolarHBondContact O-N 2.99Å; L66-R68 VanDerWaalsContact O-N 3.16Å |
| 69 | L | 91.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -78.7 | -36.3 | 176.4 | -60.5 | 167.1 | 0 | 0 | 0 | 110.6 | L66 E67 H71 A72 K75 L76 Q79 F82 | L66-L69 HydrophobicContact CD2-CD1 4.21Å; L66-L69 WeakPolarHBondContact O-CA 3.27Å; L66-L69 WeakPolarHBondContact O-CB 3.21Å; L66-L69 PolarHBondContact O-N 2.9Å; E67-L69 PolarHBondContact O-N 3.09Å; L69-H71 PolarHBondContact O-N 2.86Å; L69-A72 CarbonylContact O-C 3.6Å; L69-A72 PolarHBondContact O-N 3.39Å; L69-K75 HydrophobicContact CD2-CB 4.22Å; L69-L76 HydrophobicContact CB-CB 4.19Å; L69-L76 HydrophobicContact CB-CD1 3.95Å; L69-L76 HydrophobicContact CD1-CD1 3.99Å; L69-Q79 HydrophobicContact CD1-CG 3.88Å; L69-Q79 HydrophobicContact CD2-CB 4.41Å; L69-Q79 HydrophobicContact CD2-CG 4.28Å; L69-F82 HydrophobicContact CD1-CD2 3.78Å; L69-F82 HydrophobicContact CD1-CE2 3.89Å |
| 70 | L | 94.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -27.3 | 174.5 | -66.3 | 168.7 | 0 | 0 | 0 | 112.4 | Y20 L66 E67 A72 L76 L92 I93 Y96 Y97 | Y20-L70 VanDerWaalsContact OH-CD1 3.28Å; Y20-L70 WeakPolarHBondContact OH-CD1 3.32Å; L66-L70 PolarHBondContact O-N 3.25Å; E67-L70 PolarHBondContact O-N 2.81Å; E67-L70 VanDerWaalsContact O-N 3.16Å; L70-A72 PolarHBondContact O-N 3.41Å; L70-L76 HydrophobicContact CD2-CD2 3.98Å; L70-L92 HydrophobicContact CD2-CB 4.14Å; L70-I93 HydrophobicContact CD2-CG1 4.05Å; L70-Y96 HydrophobicContact CB-CD1 3.9Å; L70-Y96 HydrophobicContact CB-CD2 4.26Å; L70-Y96 HydrophobicContact CB-CE1 4.12Å; L70-Y96 HydrophobicContact CB-CE2 4.47Å; L70-Y96 HydrophobicContact CB-CG 3.97Å; L70-Y96 HydrophobicContact CD1-CD2 3.66Å; L70-Y96 HydrophobicContact CD1-CE2 4.22Å; L70-Y96 HydrophobicContact CD1-CG 3.93Å; L70-Y96 HydrophobicContact CG-CG 4.41Å; L70-Y97 VanDerWaalsContact O-CE2 3.3Å; L70-Y97 WeakPolarHBondContact O-CE2 3.33Å; L70-Y97 PolarHBondContact O-OH 2.85Å |
| 71 | H | 94.5 | Very high | 90.1 | Very high | 66 Ų | 66 | 71.9 Ų | 71.9 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.3 | 170.6 | -65.2 | 175 | 0 | 0 | 0 | 113.7 | E67 L69 Y96 R143 | E67-H71 PolarHBondContact O-CD2 3.05Å; E67-H71 PolarHBondContact O-N 3.29Å; L69-H71 PolarHBondContact O-N 2.86Å; H71-Y96 PolarHBondContact CD2-OH 3.25Å; H71-Y96 PolarHBondContact NE2-OH 2.95Å; H71-Y96 VanDerWaalsContact NE2-OH 3.14Å; H71-R143 PolarHBondContact CD2-NH2 3.47Å; H71-R143 PolarHBondContact NE2-NH2 2.97Å; H71-R143 VanDerWaalsContact NE2-NH2 3.14Å; H71-R143 WeakPolarHBondContact O-CD 3.41Å |
| 72 | A | 91.6 | Very high | 89.6 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 25% | 0.248 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -137.1 | 78.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | L69 L70 P74 K75 | L69-A72 CarbonylContact O-C 3.6Å; L69-A72 PolarHBondContact O-N 3.39Å; L70-A72 PolarHBondContact O-N 3.41Å; A72-P74 VanDerWaalsContact C-N 3.28Å; A72-P74 VanDerWaalsContact O-N 3.07Å; A72-K75 HydrophobicContact CB-CB 4.41Å; A72-K75 HydrophobicContact CB-CD 3.91Å; A72-K75 HydrophobicContact CB-CG 4Å; A72-K75 WeakPolarHBondContact O-CA 3.43Å; A72-K75 VanDerWaalsContact O-CB 3.32Å; A72-K75 WeakPolarHBondContact O-CB 3.28Å; A72-K75 PolarHBondContact O-N 3.46Å |
| 73 | P | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -48.7 | -37.2 | -171.2 | -32.2 | 40.6 | 0 | 0 | 0 | 115.6 | K75 L76 L77 I93 Y97 F163 L164 | P73-K75 PolarHBondContact O-N 3.2Å; P73-K75 VanDerWaalsContact O-N 3.16Å; P73-L76 WeakPolarHBondContact O-CB 3.22Å; P73-L76 PolarHBondContact O-N 2.95Å; P73-L77 PolarHBondContact O-N 2.96Å; P73-I93 HydrophobicContact CB-CD1 3.81Å; P73-I93 HydrophobicContact CB-CG1 4.05Å; P73-I93 HydrophobicContact CB-CG2 4.13Å; P73-I93 HydrophobicContact CG-CG1 4.45Å; P73-I93 HydrophobicContact CG-CG2 4.06Å; P73-Y97 HydrophobicContact CG-CE2 4.06Å; P73-F163 WeakPolarHBondContact CB-O 3.39Å; P73-F163 HydrophobicContact CG-CB 4.45Å; P73-F163 HydrophobicContact CG-CD1 4.3Å; P73-F163 WeakPolarHBondContact CG-O 3.33Å; P73-L164 HydrophobicContact CB-CB 4.3Å; P73-L164 HydrophobicContact CB-CD1 3.85Å; P73-L164 HydrophobicContact CB-CG 4.05Å |
| 74 | P | 90.1 | Very high | 89 | Confident | 44 Ų | 44 | 68 Ų | 68 | 29% | 0.286 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.9 | -29.7 | 173.1 | -27.9 | 36.8 | 0 | 0 | 0 | 114.1 | A72 L76 L77 H78 H162 | A72-P74 VanDerWaalsContact C-N 3.28Å; A72-P74 VanDerWaalsContact O-N 3.07Å; P74-L76 VanDerWaalsContact C-N 3.33Å; P74-L77 PolarHBondContact O-N 3.44Å; P74-H78 PolarHBondContact O-ND1 3.18Å; P74-H162 VanDerWaalsContact CD-O 3.22Å; P74-H162 WeakPolarHBondContact CD-O 3.44Å |
| 75 | K | 89.5 | Confident | 88.8 | Confident | 140 Ų | 140 | 65.4 Ų | 65.4 | 61% | 0.609 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -72.6 | -25.7 | 175.8 | -61.8 | -172.5 | -179.4 | 179.6 | 0 | 112.9 | L69 A72 P73 L77 Q79 | L69-K75 HydrophobicContact CD2-CB 4.22Å; A72-K75 HydrophobicContact CB-CB 4.41Å; A72-K75 HydrophobicContact CB-CD 3.91Å; A72-K75 HydrophobicContact CB-CG 4Å; A72-K75 WeakPolarHBondContact O-CA 3.43Å; A72-K75 VanDerWaalsContact O-CB 3.32Å; A72-K75 WeakPolarHBondContact O-CB 3.28Å; A72-K75 PolarHBondContact O-N 3.46Å; P73-K75 PolarHBondContact O-N 3.2Å; P73-K75 VanDerWaalsContact O-N 3.16Å; K75-L77 VanDerWaalsContact C-N 3.31Å; K75-Q79 WeakPolarHBondContact O-CB 3.43Å; K75-Q79 WeakPolarHBondContact O-CG 3.47Å; K75-Q79 PolarHBondContact O-N 2.91Å |
| 76 | L | 87.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.8 | -33 | 174.6 | -175.7 | 63.2 | 0 | 0 | 0 | 111.6 | L66 L69 L70 P73 P74 Q79 Q89 I93 | L66-L76 HydrophobicContact CD2-CD1 4.13Å; L69-L76 HydrophobicContact CB-CB 4.19Å; L69-L76 HydrophobicContact CB-CD1 3.95Å; L69-L76 HydrophobicContact CD1-CD1 3.99Å; L70-L76 HydrophobicContact CD2-CD2 3.98Å; P73-L76 WeakPolarHBondContact O-CB 3.22Å; P73-L76 PolarHBondContact O-N 2.95Å; P74-L76 VanDerWaalsContact C-N 3.33Å; L76-Q79 WeakPolarHBondContact O-CG 3.28Å; L76-Q79 PolarHBondContact O-NE2 2.95Å; L76-Q89 HydrophobicContact CD2-CB 4.16Å; L76-Q89 HydrophobicContact CD2-CG 4.37Å; L76-Q89 HydrophobicContact CG-CG 4.33Å; L76-I93 HydrophobicContact CD2-CD1 4.02Å; L76-I93 HydrophobicContact CD2-CG1 3.93Å |
| 77 | L | 83.3 | Confident | 88.6 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 45% | 0.445 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 175.8 | -70.6 | 169.6 | 0 | 0 | 0 | 112.5 | P73 P74 K75 Q89 L164 | P73-L77 PolarHBondContact O-N 2.96Å; P74-L77 PolarHBondContact O-N 3.44Å; K75-L77 VanDerWaalsContact C-N 3.31Å; L77-Q89 VanDerWaalsContact CD2-OE1 3.23Å; L77-L164 HydrophobicContact CD1-CD1 3.41Å; L77-L164 VanDerWaalsContact CD1-CD1 3.41Å; L77-L164 HydrophobicContact CG-CD1 3.93Å |
| 78 | H | 82.3 | Confident | 88.4 | Confident | 150 Ų | 150 | 70.5 Ų | 70.5 | 69% | 0.694 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -96.6 | -7 | -169.5 | -61.3 | 101.6 | 0 | 0 | 0 | 114.7 | P74 | P74-H78 PolarHBondContact O-ND1 3.18Å |
| 79 | Q | 84.4 | Confident | 88.5 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | trans | -78.2 | 148.7 | -179.8 | 63.6 | 75.6 | 39.4 | 0 | 0 | 111.8 | L69 K75 L76 F82 | L69-Q79 HydrophobicContact CD1-CG 3.88Å; L69-Q79 HydrophobicContact CD2-CB 4.41Å; L69-Q79 HydrophobicContact CD2-CG 4.28Å; K75-Q79 WeakPolarHBondContact O-CB 3.43Å; K75-Q79 WeakPolarHBondContact O-CG 3.47Å; K75-Q79 PolarHBondContact O-N 2.91Å; L76-Q79 WeakPolarHBondContact O-CG 3.28Å; L76-Q79 PolarHBondContact O-NE2 2.95Å; Q79-F82 PolarHBondContact NE2-O 3.37Å | ||
| 80 | L | 81.9 | Confident | 88.6 | Confident | 136 Ų | 136 | 62.3 Ų | 62.3 | 71% | 0.712 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -105.8 | -4.5 | -177.6 | -59.3 | 176.5 | 0 | 0 | 0 | 113.8 | Q83 | L80-Q83 PolarHBondContact O-NE2 2.96Å; L80-Q83 VanDerWaalsContact O-NE2 3.09Å |
| 81 | I | 83.6 | Confident | 88.7 | Confident | 134 Ų | 134 | 64.7 Ų | 64.7 | 69% | 0.687 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -73.7 | -46.5 | -173.2 | -60.2 | 174.1 | 0 | 0 | 0 | 110.7 | ||
| 82 | F | 84.1 | Confident | 88.7 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -104 | 115.1 | -179.7 | -59.2 | -76.1 | 0 | 0 | 0 | 109.8 | T13 T62 M65 L66 L69 Q79 I84 | T13-F82 HydrophobicContact CG2-CD1 4.02Å; T62-F82 HydrophobicContact CG2-CE1 4.16Å; M65-F82 HydrophobicContact CB-CE2 4.38Å; M65-F82 HydrophobicContact CB-CZ 3.65Å; M65-F82 HydrophobicContact CE-CZ 4.03Å; M65-F82 HydrophobicContact SD-CZ 4.5Å; L66-F82 HydrophobicContact CD2-CB 4.19Å; L66-F82 HydrophobicContact CD2-CD1 4.02Å; L66-F82 HydrophobicContact CD2-CD2 3.41Å; L66-F82 VanDerWaalsContact CD2-CD2 3.41Å; L66-F82 HydrophobicContact CD2-CE1 4.23Å; L66-F82 HydrophobicContact CD2-CE2 3.64Å; L66-F82 HydrophobicContact CD2-CG 3.6Å; L66-F82 HydrophobicContact CD2-CZ 4.04Å; L66-F82 HydrophobicContact CG-CD2 4.42Å; L66-F82 HydrophobicContact CG-CE1 4.36Å; L66-F82 HydrophobicContact CG-CE2 4.25Å; L66-F82 HydrophobicContact CG-CZ 4.22Å; L69-F82 HydrophobicContact CD1-CD2 3.78Å; L69-F82 HydrophobicContact CD1-CE2 3.89Å; Q79-F82 PolarHBondContact NE2-O 3.37Å; F82-I84 VanDerWaalsContact C-N 3.33Å; F82-I84 HydrophobicContact CB-CD1 3.73Å; F82-I84 HydrophobicContact CB-CG1 3.92Å; F82-I84 HydrophobicContact CG-CD1 4.48Å; F82-I84 PolarHBondContact O-N 3.21Å |
| 83 | Q | 87.3 | Confident | 89 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | trans | -83.7 | 81.3 | 176.1 | -63.9 | -61.8 | -39.7 | 0 | 0 | 108.8 | F8 T12 T13 L80 | F8-Q83 HydrophobicContact CD1-CG 4.07Å; F8-Q83 VanDerWaalsContact CD1-NE2 3.25Å; F8-Q83 HydrophobicContact CE1-CG 3.69Å; F8-Q83 VanDerWaalsContact CE1-NE2 3.3Å; T12-Q83 WeakPolarHBondContact CA-O 3.41Å; T13-Q83 PolarHBondContact N-O 3.16Å; T13-Q83 PolarHBondContact OG1-N 3.5Å; L80-Q83 PolarHBondContact O-NE2 2.96Å; L80-Q83 VanDerWaalsContact O-NE2 3.09Å | ||
| 84 | I | 88.4 | Confident | 89.2 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | trans | -112.1 | 123.5 | -178 | -57.6 | 169.4 | 0 | 0 | 0 | 108.9 | I15 L66 F82 R88 Q89 L92 | I15-I84 HydrophobicContact CD1-CD1 3.81Å; I15-I84 HydrophobicContact CD1-CG1 4.26Å; L66-I84 HydrophobicContact CD1-CD1 4.26Å; L66-I84 HydrophobicContact CD2-CD1 3.85Å; F82-I84 VanDerWaalsContact C-N 3.33Å; F82-I84 HydrophobicContact CB-CD1 3.73Å; F82-I84 HydrophobicContact CB-CG1 3.92Å; F82-I84 HydrophobicContact CG-CD1 4.48Å; F82-I84 PolarHBondContact O-N 3.21Å; I84-R88 HydrophobicContact CG2-CB 3.61Å; I84-Q89 HydrophobicContact CB-CG 3.87Å; I84-Q89 HydrophobicContact CG2-CG 3.6Å; I84-Q89 PolarHBondContact O-NE2 3.46Å; I84-L92 HydrophobicContact CD1-CD1 4.08Å; I84-L92 HydrophobicContact CG2-CD1 4.18Å | ||
| 85 | P | 89.3 | Confident | 89.6 | Confident | 50 Ų | 50 | 65 Ų | 65 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | trans | -57.7 | 146.5 | 176.3 | -25.1 | 33.9 | 0 | 0 | 0 | 112.6 | T12 S87 R88 Q89 | T12-P85 HydrophobicContact CG2-CG 4.34Å; P85-S87 VanDerWaalsContact C-N 3.29Å; P85-S87 PolarHBondContact O-N 2.84Å; P85-S87 VanDerWaalsContact O-N 3.16Å; P85-R88 WeakPolarHBondContact O-CA 3.41Å; P85-R88 WeakPolarHBondContact O-CB 3.41Å; P85-R88 PolarHBondContact O-N 2.73Å; P85-Q89 PolarHBondContact O-N 3.14Å | ||
| 86 | P | 88.7 | Confident | 90 | Very high | 100 Ų | 100 | 58.4 Ų | 58.4 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -53.5 | -39.8 | -176.7 | -29.3 | 35.4 | 0 | 0 | 0 | 114.6 | R88 Q89 A90 | P86-R88 VanDerWaalsContact C-N 3.32Å; P86-R88 PolarHBondContact O-N 2.64Å; P86-Q89 WeakPolarHBondContact O-CB 3.46Å; P86-Q89 PolarHBondContact O-N 3.42Å; P86-A90 PolarHBondContact O-N 3.44Å |
| 87 | S | 90.6 | Very high | 90.5 | Very high | 93 Ų | 93 | 58.4 Ų | 58.4 | 65% | 0.65 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.5 | -37.7 | 176.9 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | P85 L91 | P85-S87 VanDerWaalsContact C-N 3.29Å; P85-S87 PolarHBondContact O-N 2.84Å; P85-S87 VanDerWaalsContact O-N 3.16Å; S87-L91 PolarHBondContact O-N 3.41Å; S87-L91 VanDerWaalsContact O-N 3.14Å |
| 88 | R | 90.8 | Very high | 91.2 | Very high | 92 Ų | 92 | 56.3 Ų | 56.3 | 35% | 0.347 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.9 | -36.3 | 174.7 | -72.3 | -166.3 | 178.7 | -141.1 | 0.2 | 111.5 | I15 I84 P85 P86 L91 L92 | I15-R88 PolarHBondContact O-NH1 2.94Å; I84-R88 HydrophobicContact CG2-CB 3.61Å; P85-R88 WeakPolarHBondContact O-CA 3.41Å; P85-R88 WeakPolarHBondContact O-CB 3.41Å; P85-R88 PolarHBondContact O-N 2.73Å; P86-R88 VanDerWaalsContact C-N 3.32Å; P86-R88 PolarHBondContact O-N 2.64Å; R88-L91 WeakPolarHBondContact O-CB 3.33Å; R88-L91 PolarHBondContact O-N 3.36Å; R88-L92 WeakPolarHBondContact O-CG 3.19Å; R88-L92 PolarHBondContact O-N 2.71Å |
| 89 | Q | 92.8 | Very high | 91.9 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 174.5 | -63.6 | -178 | 0.3 | 0 | 0 | 111.1 | L76 L77 I84 P85 P86 L91 L92 I93 | L76-Q89 HydrophobicContact CD2-CB 4.16Å; L76-Q89 HydrophobicContact CD2-CG 4.37Å; L76-Q89 HydrophobicContact CG-CG 4.33Å; L77-Q89 VanDerWaalsContact CD2-OE1 3.23Å; I84-Q89 HydrophobicContact CB-CG 3.87Å; I84-Q89 HydrophobicContact CG2-CG 3.6Å; I84-Q89 PolarHBondContact O-NE2 3.46Å; P85-Q89 PolarHBondContact O-N 3.14Å; P86-Q89 WeakPolarHBondContact O-CB 3.46Å; P86-Q89 PolarHBondContact O-N 3.42Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; Q89-L91 PolarHBondContact O-N 3.4Å; Q89-L92 PolarHBondContact O-N 2.9Å; Q89-I93 WeakPolarHBondContact O-CD1 3.44Å; Q89-I93 VanDerWaalsContact O-CG1 3.28Å; Q89-I93 WeakPolarHBondContact O-CG1 3.5Å; Q89-I93 PolarHBondContact O-N 3.21Å |
| 90 | A | 93.9 | Very high | 92.6 | Very high | 53 Ų | 53 | 52.3 Ų | 52.3 | 44% | 0.438 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P86 L92 I93 E94 | P86-A90 PolarHBondContact O-N 3.44Å; A90-L92 PolarHBondContact O-N 2.93Å; A90-I93 PolarHBondContact O-N 3Å; A90-E94 VanDerWaalsContact O-CB 3.27Å; A90-E94 WeakPolarHBondContact O-CB 3.4Å; A90-E94 PolarHBondContact O-N 3.15Å |
| 91 | L | 95.1 | Very high | 93.2 | Very high | 53 Ų | 53 | 50.5 Ų | 50.5 | 28% | 0.277 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 175.9 | -179.6 | 72.5 | 0 | 0 | 0 | 112.9 | E17 S87 R88 Q89 E94 R95 | E17-L91 VanDerWaalsContact CD-CD2 3.41Å; E17-L91 HydrophobicContact CG-CD2 4.03Å; E17-L91 VanDerWaalsContact OE1-CD2 3.3Å; E17-L91 WeakPolarHBondContact OE1-CD2 3.16Å; S87-L91 PolarHBondContact O-N 3.41Å; S87-L91 VanDerWaalsContact O-N 3.14Å; R88-L91 WeakPolarHBondContact O-CB 3.33Å; R88-L91 PolarHBondContact O-N 3.36Å; Q89-L91 VanDerWaalsContact C-N 3.32Å; Q89-L91 PolarHBondContact O-N 3.4Å; L91-E94 PolarHBondContact O-N 2.93Å; L91-R95 HydrophobicContact CD1-CG 4.31Å; L91-R95 WeakPolarHBondContact O-CB 3.39Å; L91-R95 WeakPolarHBondContact O-CG 3.41Å; L91-R95 PolarHBondContact O-N 3.27Å |
| 92 | L | 95.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | -179.8 | -66.1 | 167 | 0 | 0 | 0 | 111.1 | I15 Y20 L70 I84 R88 Q89 A90 Y96 | I15-L92 HydrophobicContact CD1-CD1 3.47Å; I15-L92 VanDerWaalsContact CD1-CD1 3.47Å; I15-L92 HydrophobicContact CD1-CD2 4.11Å; I15-L92 HydrophobicContact CD1-CG 4.38Å; I15-L92 HydrophobicContact CG2-CD2 4Å; Y20-L92 HydrophobicContact CD1-CD2 3.78Å; Y20-L92 HydrophobicContact CD2-CD2 4.25Å; Y20-L92 HydrophobicContact CE1-CB 4.45Å; Y20-L92 HydrophobicContact CE1-CD2 3.59Å; Y20-L92 HydrophobicContact CE2-CD2 4.1Å; Y20-L92 HydrophobicContact CG-CD2 4.11Å; Y20-L92 PolarHBondContact OH-O 3.47Å; L70-L92 HydrophobicContact CD2-CB 4.14Å; I84-L92 HydrophobicContact CD1-CD1 4.08Å; I84-L92 HydrophobicContact CG2-CD1 4.18Å; R88-L92 WeakPolarHBondContact O-CG 3.19Å; R88-L92 PolarHBondContact O-N 2.71Å; Q89-L92 PolarHBondContact O-N 2.9Å; A90-L92 PolarHBondContact O-N 2.93Å; L92-Y96 WeakPolarHBondContact O-CB 3.34Å; L92-Y96 PolarHBondContact O-N 3.41Å |
| 93 | I | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -53.2 | 176.4 | -68.8 | 160.4 | 0 | 0 | 0 | 109.8 | L70 P73 L76 Q89 A90 R95 Y96 Y97 F163 L164 L165 | L70-I93 HydrophobicContact CD2-CG1 4.05Å; P73-I93 HydrophobicContact CB-CD1 3.81Å; P73-I93 HydrophobicContact CB-CG1 4.05Å; P73-I93 HydrophobicContact CB-CG2 4.13Å; P73-I93 HydrophobicContact CG-CG1 4.45Å; P73-I93 HydrophobicContact CG-CG2 4.06Å; L76-I93 HydrophobicContact CD2-CD1 4.02Å; L76-I93 HydrophobicContact CD2-CG1 3.93Å; Q89-I93 WeakPolarHBondContact O-CD1 3.44Å; Q89-I93 VanDerWaalsContact O-CG1 3.28Å; Q89-I93 WeakPolarHBondContact O-CG1 3.5Å; Q89-I93 PolarHBondContact O-N 3.21Å; A90-I93 PolarHBondContact O-N 3Å; I93-R95 PolarHBondContact O-N 3.06Å; I93-Y96 PolarHBondContact O-N 3.5Å; I93-Y97 HydrophobicContact CG2-CD2 4.34Å; I93-Y97 WeakPolarHBondContact O-CD2 3.46Å; I93-Y97 PolarHBondContact O-N 3.12Å; I93-F163 WeakPolarHBondContact CG2-O 3.32Å; I93-L164 HydrophobicContact CD1-CB 4.38Å; I93-L164 HydrophobicContact CD1-CD1 4.13Å; I93-L165 HydrophobicContact CG2-CD2 3.76Å |
| 94 | E | 97.5 | Very high | 94.8 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.5 | -48.5 | -178.7 | -171.3 | 73.7 | -174.5 | 0 | 0 | 111 | A90 L91 Y97 A98 S166 L169 | A90-E94 VanDerWaalsContact O-CB 3.27Å; A90-E94 WeakPolarHBondContact O-CB 3.4Å; A90-E94 PolarHBondContact O-N 3.15Å; L91-E94 PolarHBondContact O-N 2.93Å; E94-Y97 PolarHBondContact O-N 2.6Å; E94-A98 WeakPolarHBondContact O-CB 3.14Å; E94-A98 PolarHBondContact O-N 2.89Å; E94-S166 WeakPolarHBondContact OE1-CB 3.48Å; E94-S166 PolarHBondContact OE1-OG 3.21Å; E94-S166 PolarHBondContact OE2-N 3.15Å; E94-L169 HydrophobicContact CG-CD2 4.43Å |
| 95 | R | 97.7 | Very high | 95.1 | Very high | 81 Ų | 81 | 44.1 Ų | 44.1 | 31% | 0.306 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.2 | -32.7 | 179.5 | -71.2 | -163.4 | -175.4 | 174.9 | 14.1 | 113.3 | E17 Y20 L24 L91 I93 Y97 A98 | E17-R95 IonicContact OE2-CZ 3.67Å; E17-R95 IonicContact OE2-NH1 3.46Å; E17-R95 PolarHBondContact OE2-NH1 3.02Å; E17-R95 IonicContact OE2-NH2 3.68Å; E17-R95 PolarHBondContact OE2-NH2 3.2Å; Y20-R95 HydrophobicContact CE1-CB 4.03Å; L24-R95 HydrophobicContact CD1-CB 3.81Å; L24-R95 WeakPolarHBondContact CD1-O 3.33Å; L91-R95 HydrophobicContact CD1-CG 4.31Å; L91-R95 WeakPolarHBondContact O-CB 3.39Å; L91-R95 WeakPolarHBondContact O-CG 3.41Å; L91-R95 PolarHBondContact O-N 3.27Å; I93-R95 PolarHBondContact O-N 3.06Å; R95-Y97 VanDerWaalsContact C-N 3.33Å; R95-A98 PolarHBondContact O-N 2.96Å |
| 96 | Y | 98.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.8 | -172.9 | -99.3 | 0 | 0 | 0 | 111.8 | W23 L24 E67 L70 H71 L92 I93 R136 N140 | W23-Y96 HydrophobicContact CH2-CD2 4.23Å; W23-Y96 AromaticContact CH2-CE2 3.8Å; W23-Y96 HydrophobicContact CH2-CE2 3.8Å; W23-Y96 AromaticContact CZ3-CD2 3.97Å; W23-Y96 HydrophobicContact CZ3-CD2 3.97Å; W23-Y96 HydrophobicContact CZ3-CE2 4.01Å; L24-Y96 HydrophobicContact CD2-CD2 3.7Å; L24-Y96 HydrophobicContact CD2-CE2 4.44Å; L24-Y96 HydrophobicContact CD2-CG 4.49Å; E67-Y96 HydrophobicContact CG-CE2 4.21Å; E67-Y96 PolarHBondContact OE1-OH 2.62Å; L70-Y96 HydrophobicContact CB-CD1 3.9Å; L70-Y96 HydrophobicContact CB-CD2 4.26Å; L70-Y96 HydrophobicContact CB-CE1 4.12Å; L70-Y96 HydrophobicContact CB-CE2 4.47Å; L70-Y96 HydrophobicContact CB-CG 3.97Å; L70-Y96 HydrophobicContact CD1-CD2 3.66Å; L70-Y96 HydrophobicContact CD1-CE2 4.22Å; L70-Y96 HydrophobicContact CD1-CG 3.93Å; L70-Y96 HydrophobicContact CG-CG 4.41Å; H71-Y96 PolarHBondContact CD2-OH 3.25Å; H71-Y96 PolarHBondContact NE2-OH 2.95Å; H71-Y96 VanDerWaalsContact NE2-OH 3.14Å; L92-Y96 WeakPolarHBondContact O-CB 3.34Å; L92-Y96 PolarHBondContact O-N 3.41Å; I93-Y96 PolarHBondContact O-N 3.5Å; Y96-R136 HydrophobicContact CE2-CG 4.03Å; Y96-R136 PolarHBondContact O-NE 3.24Å; Y96-N140 VanDerWaalsContact CE1-OD1 3.22Å; Y96-N140 WeakPolarHBondContact CE1-OD1 3.42Å; Y96-N140 PolarHBondContact O-ND2 2.82Å |
| 97 | Y | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -85.5 | -14.2 | 178.1 | -79.7 | -93.8 | 0 | 0 | 0 | 113.6 | L70 P73 I93 E94 R95 F99 N140 R143 V144 F163 L165 Y173 | L70-Y97 VanDerWaalsContact O-CE2 3.3Å; L70-Y97 WeakPolarHBondContact O-CE2 3.33Å; L70-Y97 PolarHBondContact O-OH 2.85Å; P73-Y97 HydrophobicContact CG-CE2 4.06Å; I93-Y97 HydrophobicContact CG2-CD2 4.34Å; I93-Y97 WeakPolarHBondContact O-CD2 3.46Å; I93-Y97 PolarHBondContact O-N 3.12Å; E94-Y97 PolarHBondContact O-N 2.6Å; R95-Y97 VanDerWaalsContact C-N 3.33Å; Y97-F99 WeakPolarHBondContact O-CD1 3.48Å; Y97-N140 HydrophobicContact CD1-CB 4.03Å; Y97-N140 HydrophobicContact CE1-CB 4.08Å; Y97-R143 PolarHBondContact OH-NH1 3.43Å; Y97-V144 HydrophobicContact CD1-CG2 4.19Å; Y97-V144 HydrophobicContact CE1-CG2 3.84Å; Y97-F163 AromaticContact CE1-CD1 3.62Å; Y97-F163 HydrophobicContact CE1-CD1 3.62Å; Y97-F163 AromaticContact CE1-CE1 3.98Å; Y97-F163 HydrophobicContact CE1-CE1 3.98Å; Y97-F163 HydrophobicContact CE1-CG 4.38Å; Y97-F163 HydrophobicContact CE2-CD1 4.31Å; Y97-F163 AromaticContact CZ-CD1 3.47Å; Y97-F163 VanDerWaalsContact CZ-CD1 3.47Å; Y97-F163 AromaticContact CZ-CE1 3.92Å; Y97-F163 WeakPolarHBondContact OH-CD1 3.39Å; Y97-F163 VanDerWaalsContact OH-CE1 3.27Å; Y97-F163 WeakPolarHBondContact OH-CE1 3.42Å; Y97-L165 HydrophobicContact CD1-CD1 4.3Å; Y97-L165 HydrophobicContact CD1-CD2 4.5Å; Y97-L165 HydrophobicContact CD2-CD2 4.01Å; Y97-L165 HydrophobicContact CG-CD1 4.33Å; Y97-L165 HydrophobicContact CG-CD2 3.81Å; Y97-Y173 HydrophobicContact CD1-CE1 4.39Å; Y97-Y173 HydrophobicContact CD1-CE2 4.19Å; Y97-Y173 AromaticContact CD1-CZ 3.79Å; Y97-Y173 WeakPolarHBondContact CD1-OH 3.45Å; Y97-Y173 VanDerWaalsContact O-CE2 3.3Å; Y97-Y173 WeakPolarHBondContact O-CE2 3.43Å; Y97-Y173 PolarHBondContact O-OH 2.97Å |
| 98 | A | 97.9 | Very high | 95.7 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | trans | -56.9 | 146.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E94 R95 R136 | E94-A98 WeakPolarHBondContact O-CB 3.14Å; E94-A98 PolarHBondContact O-N 2.89Å; R95-A98 PolarHBondContact O-N 2.96Å; A98-R136 PolarHBondContact O-NH2 3.06Å | ||
| 99 | F | 97.9 | Very high | 95.4 | Very high | 32 Ų | 32 | 31.3 Ų | 31.3 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | trans | -139.5 | 162.6 | -176.6 | 54 | -104.6 | 0 | 0 | 0 | 110.7 | Y97 V104 Q137 F141 L169 D172 Y173 I176 F196 | Y97-F99 WeakPolarHBondContact O-CD1 3.48Å; F99-V104 HydrophobicContact CB-CG2 4.29Å; F99-V104 HydrophobicContact CD2-CB 4.45Å; F99-V104 HydrophobicContact CD2-CG2 3.24Å; F99-V104 HydrophobicContact CE2-CG2 3.64Å; F99-V104 HydrophobicContact CG-CG2 3.84Å; F99-V104 HydrophobicContact CZ-CG2 4.49Å; F99-Q137 VanDerWaalsContact CA-OE1 3.3Å; F99-Q137 HydrophobicContact CB-CB 4.36Å; F99-Q137 HydrophobicContact CB-CG 3.96Å; F99-F141 HydrophobicContact CB-CE1 4.22Å; F99-F141 HydrophobicContact CB-CZ 3.81Å; F99-F141 AromaticContact CD1-CE1 3.61Å; F99-F141 HydrophobicContact CD1-CE1 3.61Å; F99-F141 AromaticContact CD1-CZ 3.98Å; F99-F141 HydrophobicContact CD1-CZ 3.98Å; F99-F141 HydrophobicContact CD2-CZ 4.47Å; F99-F141 HydrophobicContact CE1-CE1 4.14Å; F99-F141 AromaticContact CG-CE1 3.97Å; F99-F141 HydrophobicContact CG-CE1 3.97Å; F99-F141 AromaticContact CG-CZ 3.83Å; F99-F141 HydrophobicContact CG-CZ 3.83Å; F99-L169 HydrophobicContact CD1-CD1 4.14Å; F99-L169 HydrophobicContact CE1-CD1 3.57Å; F99-L169 HydrophobicContact CZ-CD1 4.2Å; F99-D172 HydrophobicContact CE1-CB 4.42Å; F99-D172 HydrophobicContact CZ-CB 3.74Å; F99-Y173 HydrophobicContact CD1-CD2 4.5Å; F99-Y173 AromaticContact CD1-CE2 3.82Å; F99-Y173 HydrophobicContact CD1-CE2 3.82Å; F99-Y173 AromaticContact CD1-CZ 4Å; F99-Y173 AromaticContact CE1-CD2 3.91Å; F99-Y173 HydrophobicContact CE1-CD2 3.91Å; F99-Y173 AromaticContact CE1-CE2 3.68Å; F99-Y173 HydrophobicContact CE1-CE2 3.68Å; F99-I176 HydrophobicContact CD1-CD1 4.45Å; F99-I176 HydrophobicContact CE1-CD1 3.88Å; F99-I176 HydrophobicContact CE2-CD1 4.26Å; F99-I176 HydrophobicContact CZ-CD1 3.78Å; F99-F196 HydrophobicContact CE2-CD1 4.39Å; F99-F196 AromaticContact CE2-CE1 3.93Å; F99-F196 HydrophobicContact CE2-CE1 3.93Å; F99-F196 HydrophobicContact CE2-CZ 4.37Å; F99-F196 HydrophobicContact CZ-CE1 4.11Å; F99-F196 HydrophobicContact CZ-CZ 4.31Å | ||
| 100 | D | 97.5 | Very high | 95.2 | Very high | 65 Ų | 65 | 34.6 Ų | 34.6 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | trans | -89.7 | 128.5 | 176.3 | -63.3 | -74.8 | 0 | 0 | 0 | 109.9 | A102 F103 V104 I129 Q137 | D100-A102 PolarHBondContact O-N 2.97Å; D100-F103 HydrophobicContact CB-CB 4.13Å; D100-F103 WeakPolarHBondContact O-CB 3.3Å; D100-F103 PolarHBondContact O-N 3.16Å; D100-V104 PolarHBondContact O-N 3.16Å; D100-I129 HydrophobicContact CB-CD1 3.36Å; D100-I129 HydrophobicContact CB-CG1 4.31Å; D100-Q137 PolarHBondContact OD2-NE2 2.87Å | ||
| 101 | E | 95.8 | Very high | 94.9 | Very high | 98 Ų | 98 | 37.9 Ų | 37.9 | 46% | 0.458 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60 | -35.6 | 179.7 | -67.2 | -171.7 | -168.4 | 0 | 0 | 112.5 | F103 V104 R105 F196 | E101-F103 VanDerWaalsContact C-N 3.27Å; E101-F103 PolarHBondContact O-N 3.29Å; E101-V104 PolarHBondContact O-N 2.84Å; E101-R105 WeakPolarHBondContact O-CB 3.49Å; E101-R105 PolarHBondContact O-N 2.82Å; E101-F196 HydrophobicContact CB-CB 4.2Å; E101-F196 HydrophobicContact CG-CB 4.41Å; E101-F196 HydrophobicContact CG-CD1 4.09Å |
| 102 | A | 95.3 | Very high | 94.5 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.2 | -35.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D100 T127 I129 | D100-A102 PolarHBondContact O-N 2.97Å; A102-T127 HydrophobicContact CB-CG2 4.26Å; A102-I129 HydrophobicContact CB-CD1 4.48Å |
| 103 | F | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.8 | -49.8 | 173.5 | 176.5 | -108.6 | 0 | 0 | 0 | 110.9 | D100 E101 R105 E106 V107 L120 I123 I129 C134 Q137 F138 F141 | D100-F103 HydrophobicContact CB-CB 4.13Å; D100-F103 WeakPolarHBondContact O-CB 3.3Å; D100-F103 PolarHBondContact O-N 3.16Å; E101-F103 VanDerWaalsContact C-N 3.27Å; E101-F103 PolarHBondContact O-N 3.29Å; F103-R105 VanDerWaalsContact C-N 3.26Å; F103-R105 PolarHBondContact O-N 3.14Å; F103-E106 PolarHBondContact O-N 2.86Å; F103-E106 VanDerWaalsContact O-N 3.11Å; F103-V107 HydrophobicContact CE1-CG1 4.37Å; F103-V107 HydrophobicContact CE1-CG2 4.2Å; F103-V107 HydrophobicContact CE2-CG1 4.02Å; F103-V107 HydrophobicContact CZ-CG1 3.84Å; F103-V107 HydrophobicContact CZ-CG2 4.49Å; F103-V107 PolarHBondContact O-N 3.03Å; F103-L120 HydrophobicContact CE2-CD2 3.63Å; F103-L120 HydrophobicContact CZ-CD2 3.69Å; F103-I123 HydrophobicContact CD2-CG2 3.62Å; F103-I123 HydrophobicContact CE2-CG2 3.88Å; F103-I129 HydrophobicContact CB-CD1 3.69Å; F103-C134 HydrophobicContact CD2-CB 4.04Å; F103-C134 HydrophobicContact CE2-CB 3.66Å; F103-C134 HydrophobicContact CZ-CB 4.27Å; F103-C134 WeakPolarHBondContact CZ-O 3.49Å; F103-Q137 HydrophobicContact CD1-CB 3.7Å; F103-Q137 HydrophobicContact CD1-CG 4.45Å; F103-Q137 VanDerWaalsContact CD1-OE1 3.25Å; F103-Q137 HydrophobicContact CE1-CB 3.57Å; F103-F138 HydrophobicContact CE1-CB 4.38Å; F103-F138 HydrophobicContact CZ-CB 4.02Å; F103-F141 AromaticContact CD1-CE2 3.86Å; F103-F141 HydrophobicContact CD1-CE2 3.86Å; F103-F141 HydrophobicContact CD1-CZ 4.41Å; F103-F141 HydrophobicContact CE1-CD2 4.23Å; F103-F141 AromaticContact CE1-CE2 3.57Å; F103-F141 HydrophobicContact CE1-CE2 3.57Å; F103-F141 HydrophobicContact CE1-CZ 4.44Å |
| 104 | V | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57 | -43.2 | 180 | 178.6 | 0 | 0 | 0 | 0 | 111 | F99 D100 E101 E106 V107 L108 F141 I176 F196 | F99-V104 HydrophobicContact CB-CG2 4.29Å; F99-V104 HydrophobicContact CD2-CB 4.45Å; F99-V104 HydrophobicContact CD2-CG2 3.24Å; F99-V104 HydrophobicContact CE2-CG2 3.64Å; F99-V104 HydrophobicContact CG-CG2 3.84Å; F99-V104 HydrophobicContact CZ-CG2 4.49Å; D100-V104 PolarHBondContact O-N 3.16Å; E101-V104 PolarHBondContact O-N 2.84Å; V104-E106 PolarHBondContact O-N 3.4Å; V104-E106 VanDerWaalsContact O-N 3.11Å; V104-V107 CarbonylContact O-C 3.05Å; V104-V107 WeakPolarHBondContact O-CG2 3.22Å; V104-V107 PolarHBondContact O-N 2.79Å; V104-L108 HydrophobicContact CG1-CB 4.46Å; V104-L108 HydrophobicContact CG1-CD1 4.22Å; V104-L108 VanDerWaalsContact O-CB 3.27Å; V104-L108 WeakPolarHBondContact O-CB 3.39Å; V104-L108 PolarHBondContact O-N 3.04Å; V104-F141 HydrophobicContact CG2-CE1 4.4Å; V104-F141 HydrophobicContact CG2-CE2 3.96Å; V104-F141 HydrophobicContact CG2-CZ 3.48Å; V104-F141 VanDerWaalsContact CG2-CZ 3.48Å; V104-I176 HydrophobicContact CG1-CD1 3.83Å; V104-I176 HydrophobicContact CG1-CG1 3.84Å; V104-I176 HydrophobicContact CG2-CD1 4Å; V104-F196 HydrophobicContact CB-CD2 4.24Å; V104-F196 HydrophobicContact CB-CG 4.41Å; V104-F196 HydrophobicContact CG1-CD2 3.37Å; V104-F196 HydrophobicContact CG1-CE2 3.56Å; V104-F196 HydrophobicContact CG1-CG 4Å; V104-F196 HydrophobicContact CG1-CZ 4.32Å |
| 105 | R | 95.2 | Very high | 92.1 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 12% | 0.121 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.7 | -32 | -179.7 | -173.1 | 65 | -171.7 | 86.6 | -5.2 | 113.6 | E101 F103 T186 L191 L194 | E101-R105 WeakPolarHBondContact O-CB 3.49Å; E101-R105 PolarHBondContact O-N 2.82Å; F103-R105 VanDerWaalsContact C-N 3.26Å; F103-R105 PolarHBondContact O-N 3.14Å; R105-T186 VanDerWaalsContact CZ-O 3.27Å; R105-T186 PolarHBondContact NH1-O 3.34Å; R105-T186 PolarHBondContact NH1-OG1 3.32Å; R105-T186 PolarHBondContact NH2-O 3.2Å; R105-L191 PolarHBondContact NH2-O 3.23Å; R105-L194 PolarHBondContact NE-O 3.2Å |
| 106 | E | 93.3 | Very high | 91.2 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -82.9 | -24 | 179.2 | -65.9 | -60.4 | 133.6 | 0 | 0 | 113.8 | F103 V104 K110 I123 K126 T127 | F103-E106 PolarHBondContact O-N 2.86Å; F103-E106 VanDerWaalsContact O-N 3.11Å; V104-E106 PolarHBondContact O-N 3.4Å; V104-E106 VanDerWaalsContact O-N 3.11Å; E106-K110 WeakPolarHBondContact O-CE 3.34Å; E106-K110 PolarHBondContact O-NZ 3.27Å; E106-I123 HydrophobicContact CB-CD1 4.07Å; E106-I123 HydrophobicContact CB-CG1 4.06Å; E106-I123 HydrophobicContact CB-CG2 3.89Å; E106-I123 HydrophobicContact CG-CG2 4.15Å; E106-K126 VanDerWaalsContact OE1-CE 3.24Å; E106-K126 WeakPolarHBondContact OE1-CE 3.24Å; E106-K126 IonicContact OE1-NZ 2.79Å; E106-K126 PolarHBondContact OE1-NZ 3.25Å; E106-K126 IonicContact OE2-NZ 2.79Å; E106-K126 PolarHBondContact OE2-NZ 3.28Å; E106-T127 HydrophobicContact CG-CG2 4.19Å |
| 107 | V | 93.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -103.2 | -17.2 | -179 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | F103 V104 G109 K110 T116 I123 F141 | F103-V107 HydrophobicContact CE1-CG1 4.37Å; F103-V107 HydrophobicContact CE1-CG2 4.2Å; F103-V107 HydrophobicContact CE2-CG1 4.02Å; F103-V107 HydrophobicContact CZ-CG1 3.84Å; F103-V107 HydrophobicContact CZ-CG2 4.49Å; F103-V107 PolarHBondContact O-N 3.03Å; V104-V107 CarbonylContact O-C 3.05Å; V104-V107 WeakPolarHBondContact O-CG2 3.22Å; V104-V107 PolarHBondContact O-N 2.79Å; V107-G109 PolarHBondContact O-N 2.93Å; V107-K110 WeakPolarHBondContact O-CB 3.37Å; V107-K110 PolarHBondContact O-N 3Å; V107-K110 VanDerWaalsContact O-N 3.09Å; V107-T116 HydrophobicContact CG1-CG2 4.3Å; V107-I123 HydrophobicContact CG1-CD1 3.74Å; V107-F141 HydrophobicContact CG2-CD2 4.31Å; V107-F141 HydrophobicContact CG2-CE2 4.07Å |
| 108 | L | 93.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 131.3 | -174.8 | -168.6 | 69.4 | 0 | 0 | 0 | 111.7 | V104 K110 I176 F179 T186 F196 F199 | V104-L108 HydrophobicContact CG1-CB 4.46Å; V104-L108 HydrophobicContact CG1-CD1 4.22Å; V104-L108 VanDerWaalsContact O-CB 3.27Å; V104-L108 WeakPolarHBondContact O-CB 3.39Å; V104-L108 PolarHBondContact O-N 3.04Å; L108-K110 PolarHBondContact O-N 3.25Å; L108-I176 HydrophobicContact CD1-CG1 4.27Å; L108-F179 HydrophobicContact CD1-CB 3.64Å; L108-F179 HydrophobicContact CD1-CD1 4.08Å; L108-F179 HydrophobicContact CD1-CG 3.86Å; L108-F179 HydrophobicContact CD2-CD1 3.82Å; L108-F179 HydrophobicContact CD2-CE1 4.02Å; L108-F179 HydrophobicContact CD2-CG 4.33Å; L108-F179 HydrophobicContact CG-CB 4.04Å; L108-F179 HydrophobicContact CG-CD1 3.63Å; L108-F179 HydrophobicContact CG-CE1 4.33Å; L108-F179 HydrophobicContact CG-CG 3.96Å; L108-T186 HydrophobicContact CD2-CG2 4.1Å; L108-T186 HydrophobicContact CG-CG2 4.22Å; L108-T186 PolarHBondContact O-OG1 3.18Å; L108-F196 HydrophobicContact CD1-CD2 4.47Å; L108-F196 HydrophobicContact CD1-CE2 4.29Å; L108-F196 HydrophobicContact CD2-CD2 4.23Å; L108-F199 HydrophobicContact CD2-CB 3.68Å; L108-F199 HydrophobicContact CD2-CD2 3.87Å; L108-F199 HydrophobicContact CD2-CG 3.86Å |
| 109 | G | 85.5 | Confident | 89.3 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -9.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V107 R183 F184 | V107-G109 PolarHBondContact O-N 2.93Å; G109-R183 WeakPolarHBondContact O-CA 3.35Å; G109-F184 VanDerWaalsContact CA-O 3.28Å; G109-F184 WeakPolarHBondContact CA-O 3.31Å |
| 110 | K | 89 | Confident | 89.1 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 37% | 0.365 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -79.7 | 146.3 | 170.9 | -61.1 | 179.8 | -180 | 165.1 | 0 | 110.1 | E106 V107 L108 L112 T116 | E106-K110 WeakPolarHBondContact O-CE 3.34Å; E106-K110 PolarHBondContact O-NZ 3.27Å; V107-K110 WeakPolarHBondContact O-CB 3.37Å; V107-K110 PolarHBondContact O-N 3Å; V107-K110 VanDerWaalsContact O-N 3.09Å; L108-K110 PolarHBondContact O-N 3.25Å; K110-L112 PolarHBondContact O-N 3.27Å; K110-T116 HydrophobicContact CB-CG2 4.44Å; K110-T116 HydrophobicContact CD-CG2 4.33Å |
| 111 | K | 86.9 | Confident | 89 | Confident | 122 Ų | 122 | 54 Ų | 54 | 53% | 0.53 | 27% | 0.274 | S | S | . | . | trans | -63.2 | 123.8 | 172.2 | -174.5 | -179.9 | -177.3 | 174.9 | 0 | 109.6 | S113 T116 | K111-S113 WeakPolarHBondContact O-CB 3.43Å; K111-S113 PolarHBondContact O-N 2.79Å; K111-S113 PolarHBondContact O-OG 3.1Å; K111-T116 PolarHBondContact O-OG1 3.03Å | ||
| 112 | L | 86.5 | Confident | 88.9 | Confident | 26 Ų | 26 | 55 Ų | 55 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | trans | -67.2 | 72.7 | 178.1 | -58.5 | 179.1 | 0 | 0 | 0 | 112.5 | K110 F138 F141 K142 F145 A180 | K110-L112 PolarHBondContact O-N 3.27Å; L112-F138 HydrophobicContact CD2-CD2 4.43Å; L112-F138 HydrophobicContact CD2-CE2 3.86Å; L112-F141 HydrophobicContact CD1-CB 4.09Å; L112-F141 HydrophobicContact CD2-CB 4.33Å; L112-K142 HydrophobicContact CB-CG 3.89Å; L112-F145 HydrophobicContact CD1-CB 3.8Å; L112-F145 HydrophobicContact CD1-CD2 4.02Å; L112-F145 HydrophobicContact CD1-CG 3.96Å; L112-A180 HydrophobicContact CD1-CB 4.1Å; L112-A180 HydrophobicContact CG-CB 3.98Å | ||
| 113 | S | 85.5 | Confident | 88.9 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -119.5 | 173.6 | -166.1 | 70.5 | 0 | 0 | 0 | 0 | 112.9 | K111 G115 T116 K117 | K111-S113 WeakPolarHBondContact O-CB 3.43Å; K111-S113 PolarHBondContact O-N 2.79Å; K111-S113 PolarHBondContact O-OG 3.1Å; S113-G115 PolarHBondContact O-N 3.3Å; S113-G115 PolarHBondContact OG-N 3.36Å; S113-T116 PolarHBondContact O-N 2.97Å; S113-K117 PolarHBondContact O-N 3.49Å |
| 114 | K | 76.6 | Confident | 88.9 | Confident | 182 Ų | 182 | 53.7 Ų | 53.7 | 79% | 0.791 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.4 | -25.4 | 169.7 | -69.8 | -175 | -179.3 | 178.8 | 0 | 112.5 | ||
| 115 | G | 77.6 | Confident | 89 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -57.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S113 K117 K118 | S113-G115 PolarHBondContact O-N 3.3Å; S113-G115 PolarHBondContact OG-N 3.36Å; G115-K117 PolarHBondContact O-N 3.47Å; G115-K117 VanDerWaalsContact O-N 3.11Å; G115-K118 WeakPolarHBondContact O-CB 3.31Å; G115-K118 PolarHBondContact O-N 2.87Å |
| 116 | T | 78.4 | Confident | 89 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -30.8 | 177.5 | -46.4 | 0 | 0 | 0 | 0 | 112.8 | V107 K110 K111 S113 K118 D119 F138 | V107-T116 HydrophobicContact CG1-CG2 4.3Å; K110-T116 HydrophobicContact CB-CG2 4.44Å; K110-T116 HydrophobicContact CD-CG2 4.33Å; K111-T116 PolarHBondContact O-OG1 3.03Å; S113-T116 PolarHBondContact O-N 2.97Å; T116-K118 PolarHBondContact O-N 2.72Å; T116-D119 PolarHBondContact O-N 2.64Å; T116-F138 HydrophobicContact CG2-CD2 4.44Å; T116-F138 HydrophobicContact CG2-CE2 3.62Å; T116-F138 HydrophobicContact CG2-CZ 4.17Å |
| 117 | K | 80.3 | Confident | 89.1 | Confident | 75 Ų | 75 | 64 Ų | 64 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -27.5 | 174.6 | -167.1 | 161.2 | -172.4 | 153.8 | 0 | 113.4 | S113 G115 L120 F138 D139 | S113-K117 PolarHBondContact O-N 3.49Å; G115-K117 PolarHBondContact O-N 3.47Å; G115-K117 VanDerWaalsContact O-N 3.11Å; K117-L120 HydrophobicContact CG-CD1 4.02Å; K117-L120 WeakPolarHBondContact O-CG 3.34Å; K117-F138 HydrophobicContact CB-CD1 4.36Å; K117-F138 HydrophobicContact CB-CE1 3.82Å; K117-F138 HydrophobicContact CB-CZ 4.44Å; K117-F138 HydrophobicContact CD-CD1 4.43Å; K117-F138 HydrophobicContact CD-CE1 4.35Å; K117-F138 HydrophobicContact CG-CD1 4.38Å; K117-F138 HydrophobicContact CG-CE1 4.27Å; K117-D139 IonicContact NZ-OD1 3.27Å; K117-D139 PolarHBondContact NZ-OD1 3.11Å; K117-D139 IonicContact NZ-OD2 3.83Å; K117-D139 PolarHBondContact NZ-OD2 3.22Å |
| 118 | K | 84.9 | Confident | 89.2 | Confident | 163 Ų | 163 | 67 Ų | 67 | 71% | 0.709 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -76.1 | -30.8 | 176.5 | -65.9 | 179.7 | 178.1 | -173.6 | 0 | 112.1 | G115 T116 L120 | G115-K118 WeakPolarHBondContact O-CB 3.31Å; G115-K118 PolarHBondContact O-N 2.87Å; T116-K118 PolarHBondContact O-N 2.72Å; K118-L120 PolarHBondContact O-N 3.47Å |
| 119 | D | 90.3 | Very high | 89.3 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.4 | -178.8 | -50.5 | -24 | 0 | 0 | 0 | 112.6 | T116 D121 D122 I123 | T116-D119 PolarHBondContact O-N 2.64Å; D119-D121 PolarHBondContact O-N 3.04Å; D119-D122 PolarHBondContact O-N 3.27Å; D119-I123 WeakPolarHBondContact O-CG1 3.27Å; D119-I123 PolarHBondContact O-N 3.3Å |
| 120 | L | 93.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.8 | -26.8 | -177.6 | -64.8 | -179.8 | 0 | 0 | 0 | 113.2 | F103 K117 K118 I123 S124 L131 C134 R135 F138 | F103-L120 HydrophobicContact CE2-CD2 3.63Å; F103-L120 HydrophobicContact CZ-CD2 3.69Å; K117-L120 HydrophobicContact CG-CD1 4.02Å; K117-L120 WeakPolarHBondContact O-CG 3.34Å; K118-L120 PolarHBondContact O-N 3.47Å; L120-I123 HydrophobicContact CD2-CD1 4.43Å; L120-S124 WeakPolarHBondContact O-CB 3.47Å; L120-S124 PolarHBondContact O-N 2.72Å; L120-L131 HydrophobicContact CB-CD1 3.96Å; L120-C134 HydrophobicContact CD2-CB 4.5Å; L120-R135 HydrophobicContact CD1-CG 3.79Å; L120-F138 HydrophobicContact CD1-CB 4.16Å; L120-F138 HydrophobicContact CD1-CD1 4.41Å; L120-F138 HydrophobicContact CD1-CG 4.31Å; L120-F138 HydrophobicContact CD2-CB 4.3Å; L120-F138 HydrophobicContact CD2-CD2 4.41Å; L120-F138 HydrophobicContact CD2-CG 4.37Å |
| 121 | D | 94.4 | Very high | 90.2 | Very high | 78 Ų | 78 | 67.4 Ų | 67.4 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 175.4 | -66.5 | -38.9 | 0 | 0 | 0 | 110.9 | D119 S124 T125 L131 | D119-D121 PolarHBondContact O-N 3.04Å; D121-S124 PolarHBondContact O-N 3.31Å; D121-T125 PolarHBondContact O-N 3.24Å; D121-T125 PolarHBondContact O-OG1 3.39Å; D121-L131 WeakPolarHBondContact OD1-CD1 3.33Å; D121-L131 WeakPolarHBondContact OD1-CD2 3.39Å |
| 122 | D | 94.7 | Very high | 90.7 | Very high | 118 Ų | 118 | 67.6 Ų | 67.6 | 63% | 0.631 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -68.7 | -42.7 | 176.6 | -66.3 | -21.5 | 0 | 0 | 0 | 111.1 | D119 S124 T125 K126 | D119-D122 PolarHBondContact O-N 3.27Å; D122-S124 VanDerWaalsContact C-N 3.34Å; D122-S124 PolarHBondContact O-N 2.84Å; D122-T125 PolarHBondContact O-N 2.95Å; D122-K126 WeakPolarHBondContact O-CB 3.39Å; D122-K126 PolarHBondContact O-N 2.87Å |
| 123 | I | 94.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.036 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 177 | -64.5 | 170 | 0 | 0 | 0 | 110.7 | F103 E106 V107 D119 L120 T125 K126 T127 | F103-I123 HydrophobicContact CD2-CG2 3.62Å; F103-I123 HydrophobicContact CE2-CG2 3.88Å; E106-I123 HydrophobicContact CB-CD1 4.07Å; E106-I123 HydrophobicContact CB-CG1 4.06Å; E106-I123 HydrophobicContact CB-CG2 3.89Å; E106-I123 HydrophobicContact CG-CG2 4.15Å; V107-I123 HydrophobicContact CG1-CD1 3.74Å; D119-I123 WeakPolarHBondContact O-CG1 3.27Å; D119-I123 PolarHBondContact O-N 3.3Å; L120-I123 HydrophobicContact CD2-CD1 4.43Å; I123-T125 VanDerWaalsContact C-N 3.33Å; I123-T125 PolarHBondContact O-N 3.36Å; I123-K126 PolarHBondContact O-N 3.05Å; I123-T127 HydrophobicContact CG2-CG2 4.06Å; I123-T127 WeakPolarHBondContact O-CB 2.94Å; I123-T127 WeakPolarHBondContact O-CG2 3.05Å; I123-T127 PolarHBondContact O-N 2.82Å; I123-T127 PolarHBondContact O-OG1 2.77Å |
| 124 | S | 96.8 | Very high | 91.7 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58 | -46.5 | 174.9 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | L120 D121 D122 K126 G128 I129 L131 | L120-S124 WeakPolarHBondContact O-CB 3.47Å; L120-S124 PolarHBondContact O-N 2.72Å; D121-S124 PolarHBondContact O-N 3.31Å; D122-S124 VanDerWaalsContact C-N 3.34Å; D122-S124 PolarHBondContact O-N 2.84Å; S124-K126 PolarHBondContact O-N 2.85Å; S124-G128 WeakPolarHBondContact O-CA 3.37Å; S124-G128 PolarHBondContact O-N 3.05Å; S124-I129 WeakPolarHBondContact CA-O 3.35Å; S124-I129 WeakPolarHBondContact CB-O 3.29Å; S124-I129 PolarHBondContact OG-O 3.25Å; S124-L131 PolarHBondContact OG-N 2.99Å; S124-L131 VanDerWaalsContact OG-N 3.12Å |
| 125 | T | 96.6 | Very high | 92.7 | Very high | 120 Ų | 120 | 61.4 Ų | 61.4 | 74% | 0.736 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.1 | -42.3 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | D121 D122 I123 | D121-T125 PolarHBondContact O-N 3.24Å; D121-T125 PolarHBondContact O-OG1 3.39Å; D122-T125 PolarHBondContact O-N 2.95Å; I123-T125 VanDerWaalsContact C-N 3.33Å; I123-T125 PolarHBondContact O-N 3.36Å |
| 126 | K | 94.9 | Very high | 93.6 | Very high | 136 Ų | 136 | 60.9 Ų | 60.9 | 59% | 0.591 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.9 | -40.1 | -178.5 | -178.9 | 177.6 | 172.7 | -173.9 | 0 | 113.1 | E106 D122 I123 S124 | E106-K126 VanDerWaalsContact OE1-CE 3.24Å; E106-K126 WeakPolarHBondContact OE1-CE 3.24Å; E106-K126 IonicContact OE1-NZ 2.79Å; E106-K126 PolarHBondContact OE1-NZ 3.25Å; E106-K126 IonicContact OE2-NZ 2.79Å; E106-K126 PolarHBondContact OE2-NZ 3.28Å; D122-K126 WeakPolarHBondContact O-CB 3.39Å; D122-K126 PolarHBondContact O-N 2.87Å; I123-K126 PolarHBondContact O-N 3.05Å; S124-K126 PolarHBondContact O-N 2.85Å |
| 127 | T | 95.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 60.4 Ų | 60.4 | 24% | 0.239 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -93.3 | -17.9 | -173.5 | 58 | 0 | 0 | 0 | 0 | 113.2 | A102 E106 I123 I129 | A102-T127 HydrophobicContact CB-CG2 4.26Å; E106-T127 HydrophobicContact CG-CG2 4.19Å; I123-T127 HydrophobicContact CG2-CG2 4.06Å; I123-T127 WeakPolarHBondContact O-CB 2.94Å; I123-T127 WeakPolarHBondContact O-CG2 3.05Å; I123-T127 PolarHBondContact O-N 2.82Å; I123-T127 PolarHBondContact O-OG1 2.77Å; T127-I129 HydrophobicContact CG2-CD1 4.48Å; T127-I129 PolarHBondContact O-N 3.16Å; T127-I129 PolarHBondContact OG1-N 3.33Å |
| 128 | G | 95.7 | Very high | 95.3 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | trans | 76.1 | 0.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S124 | S124-G128 WeakPolarHBondContact O-CA 3.37Å; S124-G128 PolarHBondContact O-N 3.05Å | ||
| 129 | I | 97.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | trans | -77.3 | 138.4 | 176.6 | -60.3 | 162.3 | 0 | 0 | 0 | 108.3 | D100 A102 F103 S124 T127 | D100-I129 HydrophobicContact CB-CD1 3.36Å; D100-I129 HydrophobicContact CB-CG1 4.31Å; A102-I129 HydrophobicContact CB-CD1 4.48Å; F103-I129 HydrophobicContact CB-CD1 3.69Å; S124-I129 WeakPolarHBondContact CA-O 3.35Å; S124-I129 WeakPolarHBondContact CB-O 3.29Å; S124-I129 PolarHBondContact OG-O 3.25Å; T127-I129 HydrophobicContact CG2-CD1 4.48Å; T127-I129 PolarHBondContact O-N 3.16Å; T127-I129 PolarHBondContact OG1-N 3.33Å | ||
| 130 | T | 97 | Very high | 96.2 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | trans | -63.8 | 144.3 | -178.5 | 79 | 0 | 0 | 0 | 0 | 111.4 | D25 K132 S133 C134 | D25-T130 WeakPolarHBondContact O-CB 3.31Å; D25-T130 WeakPolarHBondContact O-CG2 3.11Å; D25-T130 PolarHBondContact O-OG1 2.88Å; T130-K132 PolarHBondContact O-N 3.41Å; T130-K132 VanDerWaalsContact O-N 3.15Å; T130-S133 PolarHBondContact O-N 2.92Å; T130-S133 WeakPolarHBondContact OG1-CB 3.48Å; T130-S133 PolarHBondContact OG1-N 3.29Å; T130-C134 PolarHBondContact O-N 3.32Å; T130-C134 PolarHBondContact O-SG 3.27Å | ||
| 131 | L | 96.4 | Very high | 96.3 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.2 | -35.5 | 178.2 | 177.1 | 61.4 | 0 | 0 | 0 | 113.1 | L120 D121 S124 R135 | L120-L131 HydrophobicContact CB-CD1 3.96Å; D121-L131 WeakPolarHBondContact OD1-CD1 3.33Å; D121-L131 WeakPolarHBondContact OD1-CD2 3.39Å; S124-L131 PolarHBondContact OG-N 2.99Å; S124-L131 VanDerWaalsContact OG-N 3.12Å; L131-R135 HydrophobicContact CD1-CG 4.35Å; L131-R135 WeakPolarHBondContact O-CB 3.33Å; L131-R135 VanDerWaalsContact O-CG 3.27Å; L131-R135 WeakPolarHBondContact O-CG 3.18Å; L131-R135 PolarHBondContact O-N 3Å |
| 132 | K | 96.1 | Very high | 96.3 | Very high | 126 Ų | 126 | 48 Ų | 48 | 55% | 0.548 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.9 | -74.4 | -175 | -171.9 | 167.8 | 0 | 111.3 | G26 T130 R135 R136 | G26-K132 WeakPolarHBondContact O-CD 3.48Å; T130-K132 PolarHBondContact O-N 3.41Å; T130-K132 VanDerWaalsContact O-N 3.15Å; K132-R135 PolarHBondContact O-N 3Å; K132-R136 PolarHBondContact O-N 3.5Å |
| 133 | S | 97.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 174.8 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | T130 R135 R136 Q137 | T130-S133 PolarHBondContact O-N 2.92Å; T130-S133 WeakPolarHBondContact OG1-CB 3.48Å; T130-S133 PolarHBondContact OG1-N 3.29Å; S133-R135 VanDerWaalsContact C-N 3.28Å; S133-R135 PolarHBondContact O-N 3.33Å; S133-R136 WeakPolarHBondContact O-CB 3.22Å; S133-R136 PolarHBondContact O-N 3.05Å; S133-R136 VanDerWaalsContact O-N 3.1Å; S133-Q137 WeakPolarHBondContact O-CG 3.27Å; S133-Q137 PolarHBondContact O-N 2.92Å; S133-Q137 PolarHBondContact OG-NE2 3.04Å |
| 134 | C | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.2 | -43.6 | 174.4 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | F103 L120 T130 F138 | F103-C134 HydrophobicContact CD2-CB 4.04Å; F103-C134 HydrophobicContact CE2-CB 3.66Å; F103-C134 HydrophobicContact CZ-CB 4.27Å; F103-C134 WeakPolarHBondContact CZ-O 3.49Å; L120-C134 HydrophobicContact CD2-CB 4.5Å; T130-C134 PolarHBondContact O-N 3.32Å; T130-C134 PolarHBondContact O-SG 3.27Å; C134-F138 VanDerWaalsContact O-CB 3.31Å; C134-F138 WeakPolarHBondContact O-CB 3.32Å; C134-F138 PolarHBondContact O-N 3.49Å |
| 135 | R | 96.3 | Very high | 96.3 | Very high | 113 Ų | 113 | 45 Ų | 45 | 43% | 0.426 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 177 | -74.7 | 172.4 | -178.4 | -172.7 | 2.8 | 112.1 | L120 L131 K132 S133 F138 D139 | L120-R135 HydrophobicContact CD1-CG 3.79Å; L131-R135 HydrophobicContact CD1-CG 4.35Å; L131-R135 WeakPolarHBondContact O-CB 3.33Å; L131-R135 VanDerWaalsContact O-CG 3.27Å; L131-R135 WeakPolarHBondContact O-CG 3.18Å; L131-R135 PolarHBondContact O-N 3Å; K132-R135 PolarHBondContact O-N 3Å; S133-R135 VanDerWaalsContact C-N 3.28Å; S133-R135 PolarHBondContact O-N 3.33Å; R135-F138 PolarHBondContact O-N 3.14Å; R135-D139 VanDerWaalsContact O-CB 3.32Å; R135-D139 WeakPolarHBondContact O-CB 3.3Å; R135-D139 PolarHBondContact O-N 3.43Å |
| 136 | R | 97 | Very high | 96.1 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -53.6 | 175.7 | -173.4 | -161.9 | 81.3 | -129.5 | 3.8 | 110.6 | L24 Y96 A98 K132 S133 F138 D139 N140 | L24-R136 VanDerWaalsContact CB-NH1 3.35Å; L24-R136 PolarHBondContact O-NH1 3.35Å; Y96-R136 HydrophobicContact CE2-CG 4.03Å; Y96-R136 PolarHBondContact O-NE 3.24Å; A98-R136 PolarHBondContact O-NH2 3.06Å; K132-R136 PolarHBondContact O-N 3.5Å; S133-R136 WeakPolarHBondContact O-CB 3.22Å; S133-R136 PolarHBondContact O-N 3.05Å; S133-R136 VanDerWaalsContact O-N 3.1Å; R136-F138 PolarHBondContact O-N 3.02Å; R136-D139 PolarHBondContact O-N 3.3Å; R136-N140 VanDerWaalsContact O-CG 3.25Å; R136-N140 PolarHBondContact O-N 3.39Å; R136-N140 PolarHBondContact O-OD1 3.17Å |
| 137 | Q | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | -178.5 | -66.3 | 178 | 48.8 | 0 | 0 | 111.4 | F99 D100 F103 S133 D139 N140 F141 | F99-Q137 VanDerWaalsContact CA-OE1 3.3Å; F99-Q137 HydrophobicContact CB-CB 4.36Å; F99-Q137 HydrophobicContact CB-CG 3.96Å; D100-Q137 PolarHBondContact OD2-NE2 2.87Å; F103-Q137 HydrophobicContact CD1-CB 3.7Å; F103-Q137 HydrophobicContact CD1-CG 4.45Å; F103-Q137 VanDerWaalsContact CD1-OE1 3.25Å; F103-Q137 HydrophobicContact CE1-CB 3.57Å; S133-Q137 WeakPolarHBondContact O-CG 3.27Å; S133-Q137 PolarHBondContact O-N 2.92Å; S133-Q137 PolarHBondContact OG-NE2 3.04Å; Q137-D139 PolarHBondContact O-N 3.06Å; Q137-N140 WeakPolarHBondContact O-CB 2.97Å; Q137-N140 PolarHBondContact O-N 2.78Å; Q137-F141 HydrophobicContact CB-CE2 4.41Å; Q137-F141 HydrophobicContact CB-CZ 4.37Å; Q137-F141 WeakPolarHBondContact O-CD2 3.37Å; Q137-F141 WeakPolarHBondContact O-CG 3.49Å; Q137-F141 PolarHBondContact O-N 3.23Å |
| 138 | F | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.3 | -172.7 | -103.1 | 0 | 0 | 0 | 113.3 | F103 L112 T116 K117 L120 C134 R135 R136 N140 F141 K142 | F103-F138 HydrophobicContact CE1-CB 4.38Å; F103-F138 HydrophobicContact CZ-CB 4.02Å; L112-F138 HydrophobicContact CD2-CD2 4.43Å; L112-F138 HydrophobicContact CD2-CE2 3.86Å; T116-F138 HydrophobicContact CG2-CD2 4.44Å; T116-F138 HydrophobicContact CG2-CE2 3.62Å; T116-F138 HydrophobicContact CG2-CZ 4.17Å; K117-F138 HydrophobicContact CB-CD1 4.36Å; K117-F138 HydrophobicContact CB-CE1 3.82Å; K117-F138 HydrophobicContact CB-CZ 4.44Å; K117-F138 HydrophobicContact CD-CD1 4.43Å; K117-F138 HydrophobicContact CD-CE1 4.35Å; K117-F138 HydrophobicContact CG-CD1 4.38Å; K117-F138 HydrophobicContact CG-CE1 4.27Å; L120-F138 HydrophobicContact CD1-CB 4.16Å; L120-F138 HydrophobicContact CD1-CD1 4.41Å; L120-F138 HydrophobicContact CD1-CG 4.31Å; L120-F138 HydrophobicContact CD2-CB 4.3Å; L120-F138 HydrophobicContact CD2-CD2 4.41Å; L120-F138 HydrophobicContact CD2-CG 4.37Å; C134-F138 VanDerWaalsContact O-CB 3.31Å; C134-F138 WeakPolarHBondContact O-CB 3.32Å; C134-F138 PolarHBondContact O-N 3.49Å; R135-F138 PolarHBondContact O-N 3.14Å; R136-F138 PolarHBondContact O-N 3.02Å; F138-N140 VanDerWaalsContact C-N 3.28Å; F138-N140 PolarHBondContact O-N 3.13Å; F138-F141 PolarHBondContact O-N 3.43Å; F138-K142 HydrophobicContact CD1-CD 3.96Å; F138-K142 HydrophobicContact CD1-CG 4.45Å; F138-K142 HydrophobicContact CE1-CD 3.44Å; F138-K142 VanDerWaalsContact CE1-CD 3.44Å; F138-K142 HydrophobicContact CE1-CG 4.1Å; F138-K142 HydrophobicContact CZ-CD 4.05Å; F138-K142 HydrophobicContact CZ-CG 4.38Å; F138-K142 PolarHBondContact O-N 2.75Å |
| 139 | D | 95.9 | Very high | 95.3 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.6 | -30.4 | 179.1 | -73.8 | -26.4 | 0 | 0 | 0 | 111.1 | K117 R135 R136 Q137 R143 | K117-D139 IonicContact NZ-OD1 3.27Å; K117-D139 PolarHBondContact NZ-OD1 3.11Å; K117-D139 IonicContact NZ-OD2 3.83Å; K117-D139 PolarHBondContact NZ-OD2 3.22Å; R135-D139 VanDerWaalsContact O-CB 3.32Å; R135-D139 WeakPolarHBondContact O-CB 3.3Å; R135-D139 PolarHBondContact O-N 3.43Å; R136-D139 PolarHBondContact O-N 3.3Å; Q137-D139 PolarHBondContact O-N 3.06Å; D139-R143 WeakPolarHBondContact O-CB 3.42Å; D139-R143 PolarHBondContact O-N 3.36Å |
| 140 | N | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 169.3 | -70.1 | -11.8 | 0 | 0 | 0 | 111.9 | Y96 Y97 R136 Q137 F138 K142 R143 V144 Y173 | Y96-N140 VanDerWaalsContact CE1-OD1 3.22Å; Y96-N140 WeakPolarHBondContact CE1-OD1 3.42Å; Y96-N140 PolarHBondContact O-ND2 2.82Å; Y97-N140 HydrophobicContact CD1-CB 4.03Å; Y97-N140 HydrophobicContact CE1-CB 4.08Å; R136-N140 VanDerWaalsContact O-CG 3.25Å; R136-N140 PolarHBondContact O-N 3.39Å; R136-N140 PolarHBondContact O-OD1 3.17Å; Q137-N140 WeakPolarHBondContact O-CB 2.97Å; Q137-N140 PolarHBondContact O-N 2.78Å; F138-N140 VanDerWaalsContact C-N 3.28Å; F138-N140 PolarHBondContact O-N 3.13Å; N140-K142 VanDerWaalsContact C-N 3.29Å; N140-K142 PolarHBondContact O-N 3.19Å; N140-R143 WeakPolarHBondContact O-CB 3.4Å; N140-R143 PolarHBondContact O-N 3.42Å; N140-R143 PolarHBondContact OD1-NH1 3.02Å; N140-V144 WeakPolarHBondContact O-CG2 3.2Å; N140-V144 PolarHBondContact O-N 2.64Å; N140-Y173 WeakPolarHBondContact CB-OH 3.4Å |
| 141 | F | 96.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.8 | -45.8 | 175.2 | -59.5 | -33.7 | 0 | 0 | 0 | 111.6 | F99 F103 V104 V107 L112 Q137 F138 R143 V144 F145 Y173 I176 | F99-F141 HydrophobicContact CB-CE1 4.22Å; F99-F141 HydrophobicContact CB-CZ 3.81Å; F99-F141 AromaticContact CD1-CE1 3.61Å; F99-F141 HydrophobicContact CD1-CE1 3.61Å; F99-F141 AromaticContact CD1-CZ 3.98Å; F99-F141 HydrophobicContact CD1-CZ 3.98Å; F99-F141 HydrophobicContact CD2-CZ 4.47Å; F99-F141 HydrophobicContact CE1-CE1 4.14Å; F99-F141 AromaticContact CG-CE1 3.97Å; F99-F141 HydrophobicContact CG-CE1 3.97Å; F99-F141 AromaticContact CG-CZ 3.83Å; F99-F141 HydrophobicContact CG-CZ 3.83Å; F103-F141 AromaticContact CD1-CE2 3.86Å; F103-F141 HydrophobicContact CD1-CE2 3.86Å; F103-F141 HydrophobicContact CD1-CZ 4.41Å; F103-F141 HydrophobicContact CE1-CD2 4.23Å; F103-F141 AromaticContact CE1-CE2 3.57Å; F103-F141 HydrophobicContact CE1-CE2 3.57Å; F103-F141 HydrophobicContact CE1-CZ 4.44Å; V104-F141 HydrophobicContact CG2-CE1 4.4Å; V104-F141 HydrophobicContact CG2-CE2 3.96Å; V104-F141 HydrophobicContact CG2-CZ 3.48Å; V104-F141 VanDerWaalsContact CG2-CZ 3.48Å; V107-F141 HydrophobicContact CG2-CD2 4.31Å; V107-F141 HydrophobicContact CG2-CE2 4.07Å; L112-F141 HydrophobicContact CD1-CB 4.09Å; L112-F141 HydrophobicContact CD2-CB 4.33Å; Q137-F141 HydrophobicContact CB-CE2 4.41Å; Q137-F141 HydrophobicContact CB-CZ 4.37Å; Q137-F141 WeakPolarHBondContact O-CD2 3.37Å; Q137-F141 WeakPolarHBondContact O-CG 3.49Å; Q137-F141 PolarHBondContact O-N 3.23Å; F138-F141 PolarHBondContact O-N 3.43Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.04Å; F141-V144 PolarHBondContact O-N 3.5Å; F141-F145 WeakPolarHBondContact O-CB 3.49Å; F141-F145 PolarHBondContact O-N 3.49Å; F141-Y173 AromaticContact CD1-CD1 3.99Å; F141-Y173 HydrophobicContact CD1-CD1 3.99Å; F141-Y173 AromaticContact CD1-CE1 3.37Å; F141-Y173 HydrophobicContact CD1-CE1 3.37Å; F141-Y173 AromaticContact CD1-CZ 3.99Å; F141-Y173 HydrophobicContact CE1-CD1 4.42Å; F141-Y173 AromaticContact CE1-CE1 3.74Å; F141-Y173 HydrophobicContact CE1-CE1 3.74Å; F141-Y173 AromaticContact CE1-CZ 3.91Å; F141-I176 HydrophobicContact CB-CG2 4.42Å; F141-I176 HydrophobicContact CD1-CD1 3.94Å; F141-I176 HydrophobicContact CD1-CG2 4.03Å; F141-I176 HydrophobicContact CE1-CD1 3.47Å; F141-I176 VanDerWaalsContact CE1-CD1 3.47Å; F141-I176 HydrophobicContact CG-CG2 4.09Å; F141-I176 HydrophobicContact CZ-CD1 3.9Å |
| 142 | K | 95.3 | Very high | 93 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61 | -39.4 | 175.9 | -80.2 | -174.7 | 67.2 | -164.1 | 0 | 113.2 | L112 F138 N140 K146 | L112-K142 HydrophobicContact CB-CG 3.89Å; F138-K142 HydrophobicContact CD1-CD 3.96Å; F138-K142 HydrophobicContact CD1-CG 4.45Å; F138-K142 HydrophobicContact CE1-CD 3.44Å; F138-K142 VanDerWaalsContact CE1-CD 3.44Å; F138-K142 HydrophobicContact CE1-CG 4.1Å; F138-K142 HydrophobicContact CZ-CD 4.05Å; F138-K142 HydrophobicContact CZ-CG 4.38Å; F138-K142 PolarHBondContact O-N 2.75Å; N140-K142 VanDerWaalsContact C-N 3.29Å; N140-K142 PolarHBondContact O-N 3.19Å; K142-K146 VanDerWaalsContact O-CB 3.29Å; K142-K146 WeakPolarHBondContact O-CB 3.18Å; K142-K146 PolarHBondContact O-N 2.91Å |
| 143 | R | 95.6 | Very high | 92.3 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 19% | 0.189 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.8 | -45.9 | -179.4 | -165.3 | 176.7 | -51.7 | 105.7 | 5.4 | 110.9 | H71 Y97 D139 N140 F141 K146 V147 F163 | H71-R143 PolarHBondContact CD2-NH2 3.47Å; H71-R143 PolarHBondContact NE2-NH2 2.97Å; H71-R143 VanDerWaalsContact NE2-NH2 3.14Å; H71-R143 WeakPolarHBondContact O-CD 3.41Å; Y97-R143 PolarHBondContact OH-NH1 3.43Å; D139-R143 WeakPolarHBondContact O-CB 3.42Å; D139-R143 PolarHBondContact O-N 3.36Å; N140-R143 WeakPolarHBondContact O-CB 3.4Å; N140-R143 PolarHBondContact O-N 3.42Å; N140-R143 PolarHBondContact OD1-NH1 3.02Å; F141-R143 VanDerWaalsContact C-N 3.31Å; F141-R143 PolarHBondContact O-N 3.04Å; R143-K146 PolarHBondContact O-N 3.3Å; R143-V147 WeakPolarHBondContact O-CG2 3.33Å; R143-V147 PolarHBondContact O-N 2.97Å; R143-V147 VanDerWaalsContact O-N 3.17Å; R143-F163 HydrophobicContact CG-CE1 4.1Å; R143-F163 HydrophobicContact CG-CZ 4.34Å |
| 144 | V | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -53.2 | 176 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | Y97 N140 F141 K146 V147 V148 I159 F163 Y173 V177 | Y97-V144 HydrophobicContact CD1-CG2 4.19Å; Y97-V144 HydrophobicContact CE1-CG2 3.84Å; N140-V144 WeakPolarHBondContact O-CG2 3.2Å; N140-V144 PolarHBondContact O-N 2.64Å; F141-V144 PolarHBondContact O-N 3.5Å; V144-K146 VanDerWaalsContact C-N 3.3Å; V144-K146 PolarHBondContact O-N 3.43Å; V144-V147 PolarHBondContact O-N 3.25Å; V144-V147 VanDerWaalsContact O-N 3.08Å; V144-V148 HydrophobicContact CG1-CG1 4.42Å; V144-V148 VanDerWaalsContact O-CG2 3.31Å; V144-V148 WeakPolarHBondContact O-CG2 3.32Å; V144-V148 PolarHBondContact O-N 3.27Å; V144-I159 HydrophobicContact CG1-CD1 4.09Å; V144-I159 HydrophobicContact CG1-CG1 3.84Å; V144-I159 HydrophobicContact CG1-CG2 4.44Å; V144-F163 HydrophobicContact CB-CE2 4.09Å; V144-F163 HydrophobicContact CB-CZ 4.2Å; V144-F163 HydrophobicContact CG1-CD2 4.43Å; V144-F163 HydrophobicContact CG1-CE2 4.11Å; V144-F163 HydrophobicContact CG2-CD1 4.21Å; V144-F163 HydrophobicContact CG2-CD2 4.03Å; V144-F163 HydrophobicContact CG2-CE1 4.01Å; V144-F163 HydrophobicContact CG2-CE2 3.82Å; V144-F163 HydrophobicContact CG2-CG 4.21Å; V144-F163 HydrophobicContact CG2-CZ 3.8Å; V144-Y173 HydrophobicContact CB-CD1 3.83Å; V144-Y173 HydrophobicContact CB-CE1 4.13Å; V144-Y173 HydrophobicContact CG1-CD1 3.89Å; V144-Y173 HydrophobicContact CG1-CG 4.42Å; V144-Y173 HydrophobicContact CG2-CD1 3.64Å; V144-Y173 HydrophobicContact CG2-CE1 3.6Å; V144-Y173 HydrophobicContact CG2-CG 4.4Å; V144-V177 HydrophobicContact CG1-CG2 4.13Å |
| 145 | F | 93.6 | Very high | 91.3 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -50.7 | -49.3 | 177.7 | -172.3 | -84.6 | 0 | 0 | 0 | 112 | L112 F141 V147 V148 E149 V177 A180 N181 | L112-F145 HydrophobicContact CD1-CB 3.8Å; L112-F145 HydrophobicContact CD1-CD2 4.02Å; L112-F145 HydrophobicContact CD1-CG 3.96Å; F141-F145 WeakPolarHBondContact O-CB 3.49Å; F141-F145 PolarHBondContact O-N 3.49Å; F145-V147 VanDerWaalsContact C-N 3.33Å; F145-V147 PolarHBondContact O-N 2.87Å; F145-V148 PolarHBondContact O-N 2.96Å; F145-E149 HydrophobicContact CD1-CB 4.38Å; F145-E149 HydrophobicContact CE1-CB 4.19Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.45Å; F145-E149 VanDerWaalsContact O-CB 3.23Å; F145-E149 WeakPolarHBondContact O-CB 3.45Å; F145-E149 WeakPolarHBondContact O-CG 3.5Å; F145-E149 PolarHBondContact O-N 3.25Å; F145-V177 HydrophobicContact CB-CG2 4.27Å; F145-V177 HydrophobicContact CD2-CB 4.26Å; F145-V177 HydrophobicContact CD2-CG1 3.83Å; F145-V177 HydrophobicContact CD2-CG2 4.2Å; F145-V177 HydrophobicContact CE2-CG1 4.19Å; F145-A180 HydrophobicContact CD2-CB 4.12Å; F145-A180 HydrophobicContact CE2-CB 3.98Å; F145-N181 HydrophobicContact CE2-CB 4.11Å; F145-N181 HydrophobicContact CZ-CB 4.44Å |
| 146 | K | 92.9 | Very high | 91.2 | Very high | 135 Ų | 135 | 44.4 Ų | 44.4 | 59% | 0.587 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -64.5 | -35.4 | -178.3 | -176.1 | 175.7 | -179.1 | -172.5 | 0 | 113.7 | K142 R143 V144 E149 | K142-K146 VanDerWaalsContact O-CB 3.29Å; K142-K146 WeakPolarHBondContact O-CB 3.18Å; K142-K146 PolarHBondContact O-N 2.91Å; R143-K146 PolarHBondContact O-N 3.3Å; V144-K146 VanDerWaalsContact C-N 3.3Å; V144-K146 PolarHBondContact O-N 3.43Å; K146-E149 WeakPolarHBondContact CA-OE1 3.47Å |
| 147 | V | 92.4 | Very high | 90.9 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 30% | 0.297 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.2 | -43 | 179.9 | 168.6 | 0 | 0 | 0 | 0 | 110.2 | R143 V144 F145 M151 H162 F163 | R143-V147 WeakPolarHBondContact O-CG2 3.33Å; R143-V147 PolarHBondContact O-N 2.97Å; R143-V147 VanDerWaalsContact O-N 3.17Å; V144-V147 PolarHBondContact O-N 3.25Å; V144-V147 VanDerWaalsContact O-N 3.08Å; F145-V147 VanDerWaalsContact C-N 3.33Å; F145-V147 PolarHBondContact O-N 2.87Å; V147-M151 HydrophobicContact CG1-SD 4.03Å; V147-M151 VanDerWaalsContact O-CG 3.27Å; V147-M151 WeakPolarHBondContact O-CG 3.38Å; V147-H162 HydrophobicContact CG1-CB 3.97Å; V147-F163 HydrophobicContact CB-CE2 3.9Å; V147-F163 HydrophobicContact CB-CZ 3.88Å; V147-F163 HydrophobicContact CG1-CE2 4Å; V147-F163 HydrophobicContact CG1-CZ 4.31Å; V147-F163 HydrophobicContact CG2-CE2 4.27Å; V147-F163 HydrophobicContact CG2-CZ 3.75Å |
| 148 | V | 90.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -87.8 | -18.7 | -172.6 | -54.1 | 0 | 0 | 0 | 0 | 113.8 | V144 F145 E150 M151 L155 N158 I159 V177 M231 | V144-V148 HydrophobicContact CG1-CG1 4.42Å; V144-V148 VanDerWaalsContact O-CG2 3.31Å; V144-V148 WeakPolarHBondContact O-CG2 3.32Å; V144-V148 PolarHBondContact O-N 3.27Å; F145-V148 PolarHBondContact O-N 2.96Å; V148-E150 PolarHBondContact O-N 3.4Å; V148-M151 PolarHBondContact O-N 2.98Å; V148-M151 VanDerWaalsContact O-N 3.09Å; V148-L155 HydrophobicContact CB-CD1 3.68Å; V148-L155 HydrophobicContact CG1-CD1 4.25Å; V148-L155 HydrophobicContact CG2-CD1 3.49Å; V148-L155 VanDerWaalsContact CG2-CD1 3.49Å; V148-N158 HydrophobicContact CG1-CB 4.34Å; V148-I159 HydrophobicContact CG1-CG1 3.78Å; V148-V177 HydrophobicContact CG2-CG1 3.83Å; V148-V177 HydrophobicContact CG2-CG2 4.14Å; V148-M231 HydrophobicContact CG2-SD 4.43Å |
| 149 | E | 85 | Confident | 90.6 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.1 | 178.8 | 72.8 | -178.4 | 145.2 | 0 | 0 | 113.9 | F145 K146 M231 | F145-E149 HydrophobicContact CD1-CB 4.38Å; F145-E149 HydrophobicContact CE1-CB 4.19Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.45Å; F145-E149 VanDerWaalsContact O-CB 3.23Å; F145-E149 WeakPolarHBondContact O-CB 3.45Å; F145-E149 WeakPolarHBondContact O-CG 3.5Å; F145-E149 PolarHBondContact O-N 3.25Å; K146-E149 WeakPolarHBondContact CA-OE1 3.47Å; E149-M231 HydrophobicContact CB-CE 3.61Å; E149-M231 HydrophobicContact CB-SD 4.03Å |
| 150 | E | 80.2 | Confident | 90.6 | Very high | 157 Ų | 157 | 47.9 Ų | 47.9 | 73% | 0.734 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 2.3 | 178.5 | -58.1 | -179.2 | 172.4 | 0 | 0 | 112.1 | V148 | V148-E150 PolarHBondContact O-N 3.4Š|
| 151 | M | 83.4 | Confident | 90.4 | Very high | 42 Ų | 42 | 54 Ų | 54 | 21% | 0.207 | 26% | 0.264 | C | S | . | . | trans | -101.8 | 149 | -173.8 | -67.8 | -176.2 | 76.5 | 0 | 0 | 112.4 | V147 V148 N158 H162 | V147-M151 HydrophobicContact CG1-SD 4.03Å; V147-M151 VanDerWaalsContact O-CG 3.27Å; V147-M151 WeakPolarHBondContact O-CG 3.38Å; V148-M151 PolarHBondContact O-N 2.98Å; V148-M151 VanDerWaalsContact O-N 3.09Å; M151-N158 HydrophobicContact CE-CB 3.94Å; M151-N158 WeakPolarHBondContact CE-OD1 3.4Å; M151-N158 HydrophobicContact SD-CB 4.04Å; M151-H162 VanDerWaalsContact CE-CD2 3.42Å; M151-H162 WeakPolarHBondContact CE-CD2 3.49Å; M151-H162 WeakPolarHBondContact CE-NE2 3.47Å | ||
| 152 | R | 80.1 | Confident | 90.3 | Very high | 140 Ų | 140 | 57.8 Ų | 57.8 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | trans | -99.5 | 158.2 | 176.6 | -63.5 | -179.6 | 177.4 | -165.9 | -10.5 | 111 | N158 Q225 M226 | R152-N158 PolarHBondContact O-ND2 3.11Å; R152-Q225 PolarHBondContact NH1-O 3.22Å; R152-Q225 PolarHBondContact NH2-O 3.24Å; R152-M226 PolarHBondContact NH2-O 3.32Å | ||
| 153 | G | 80.4 | Confident | 90.4 | Very high | 38 Ų | 38 | 54.3 Ų | 54.3 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 75.8 | -167.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | L155 N158 D230 | G153-L155 PolarHBondContact O-N 3.05Å; G153-L155 VanDerWaalsContact O-N 3.16Å; G153-N158 PolarHBondContact O-ND2 3.11Å; G153-D230 VanDerWaalsContact O-OD2 3.11Å |
| 154 | S | 85.8 | Confident | 90.4 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | trans | -48.7 | 115.8 | -170.8 | 172.3 | 0 | 0 | 0 | 0 | 112.9 | V156 D157 N158 D230 | S154-V156 PolarHBondContact O-N 3.08Å; S154-D157 WeakPolarHBondContact CB-OD2 3.39Å; S154-D157 PolarHBondContact O-N 2.82Å; S154-D157 PolarHBondContact OG-N 2.78Å; S154-D157 PolarHBondContact OG-OD2 2.83Å; S154-D157 VanDerWaalsContact OG-OD2 3.08Å; S154-N158 WeakPolarHBondContact O-CB 2.96Å; S154-N158 VanDerWaalsContact O-CG 3.26Å; S154-N158 PolarHBondContact O-N 2.93Å; S154-N158 PolarHBondContact O-ND2 3.48Å; S154-D230 WeakPolarHBondContact CA-OD2 3.4Å; S154-D230 PolarHBondContact N-OD2 2.93Å | ||
| 155 | L | 89.3 | Confident | 90.5 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.7 | -39.7 | 177.3 | -177.1 | 57.1 | 0 | 0 | 0 | 111.6 | V148 G153 I159 A174 V177 D230 | V148-L155 HydrophobicContact CB-CD1 3.68Å; V148-L155 HydrophobicContact CG1-CD1 4.25Å; V148-L155 HydrophobicContact CG2-CD1 3.49Å; V148-L155 VanDerWaalsContact CG2-CD1 3.49Å; G153-L155 PolarHBondContact O-N 3.05Å; G153-L155 VanDerWaalsContact O-N 3.16Å; L155-I159 HydrophobicContact CD1-CD1 4.15Å; L155-I159 HydrophobicContact CG-CD1 4.06Å; L155-I159 WeakPolarHBondContact O-CD1 3.39Å; L155-I159 WeakPolarHBondContact O-CG1 3.43Å; L155-I159 PolarHBondContact O-N 3.3Å; L155-I159 VanDerWaalsContact O-N 3.08Å; L155-A174 HydrophobicContact CB-CB 4.37Å; L155-A174 HydrophobicContact CD2-CB 3.7Å; L155-A174 WeakPolarHBondContact CD2-O 3.31Å; L155-A174 HydrophobicContact CG-CB 3.73Å; L155-V177 HydrophobicContact CD1-CG1 4.2Å; L155-V177 HydrophobicContact CD2-CB 4.28Å; L155-V177 HydrophobicContact CD2-CG1 4.13Å; L155-D230 HydrophobicContact CB-CB 4.4Å |
| 156 | V | 92.3 | Very high | 90.7 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 13% | 0.127 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 179 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | S154 N158 I159 Q160 A170 R171 A174 | S154-V156 PolarHBondContact O-N 3.08Å; V156-N158 VanDerWaalsContact C-N 3.34Å; V156-N158 PolarHBondContact O-N 3.43Å; V156-I159 PolarHBondContact O-N 3.24Å; V156-Q160 HydrophobicContact CG1-CG 4.48Å; V156-Q160 WeakPolarHBondContact O-CG 3.2Å; V156-Q160 PolarHBondContact O-N 2.79Å; V156-A170 HydrophobicContact CG1-CB 3.96Å; V156-R171 HydrophobicContact CG1-CG 4.09Å; V156-R171 HydrophobicContact CG2-CG 4Å; V156-A174 HydrophobicContact CG2-CB 3.93Å |
| 157 | D | 91.8 | Very high | 90.8 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | -178.7 | -61.6 | -22.8 | 0 | 0 | 0 | 111 | S154 I159 Q160 Q161 | S154-D157 WeakPolarHBondContact CB-OD2 3.39Å; S154-D157 PolarHBondContact O-N 2.82Å; S154-D157 PolarHBondContact OG-N 2.78Å; S154-D157 PolarHBondContact OG-OD2 2.83Å; S154-D157 VanDerWaalsContact OG-OD2 3.08Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 2.78Å; D157-Q160 PolarHBondContact O-N 3.38Å; D157-Q161 WeakPolarHBondContact O-CB 3.39Å; D157-Q161 VanDerWaalsContact O-CG 3.25Å; D157-Q161 WeakPolarHBondContact O-CG 3.25Å; D157-Q161 PolarHBondContact O-N 2.85Å |
| 158 | N | 92.7 | Very high | 91 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -43.3 | 175.6 | -74.2 | -27.4 | 0 | 0 | 0 | 111.5 | V148 M151 R152 G153 S154 V156 H162 | V148-N158 HydrophobicContact CG1-CB 4.34Å; M151-N158 HydrophobicContact CE-CB 3.94Å; M151-N158 WeakPolarHBondContact CE-OD1 3.4Å; M151-N158 HydrophobicContact SD-CB 4.04Å; R152-N158 PolarHBondContact O-ND2 3.11Å; G153-N158 PolarHBondContact O-ND2 3.11Å; S154-N158 WeakPolarHBondContact O-CB 2.96Å; S154-N158 VanDerWaalsContact O-CG 3.26Å; S154-N158 PolarHBondContact O-N 2.93Å; S154-N158 PolarHBondContact O-ND2 3.48Å; V156-N158 VanDerWaalsContact C-N 3.34Å; V156-N158 PolarHBondContact O-N 3.43Å; N158-H162 WeakPolarHBondContact O-CB 3.27Å; N158-H162 PolarHBondContact O-CD2 3.44Å; N158-H162 PolarHBondContact O-N 3.33Å; N158-H162 VanDerWaalsContact O-N 3.08Å |
| 159 | I | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 176.3 | -66.3 | 164.1 | 0 | 0 | 0 | 110.7 | V144 V148 L155 V156 D157 Q161 H162 F163 L165 A170 A174 | V144-I159 HydrophobicContact CG1-CD1 4.09Å; V144-I159 HydrophobicContact CG1-CG1 3.84Å; V144-I159 HydrophobicContact CG1-CG2 4.44Å; V148-I159 HydrophobicContact CG1-CG1 3.78Å; L155-I159 HydrophobicContact CD1-CD1 4.15Å; L155-I159 HydrophobicContact CG-CD1 4.06Å; L155-I159 WeakPolarHBondContact O-CD1 3.39Å; L155-I159 WeakPolarHBondContact O-CG1 3.43Å; L155-I159 PolarHBondContact O-N 3.3Å; L155-I159 VanDerWaalsContact O-N 3.08Å; V156-I159 PolarHBondContact O-N 3.24Å; D157-I159 VanDerWaalsContact C-N 3.32Å; D157-I159 PolarHBondContact O-N 2.78Å; I159-Q161 PolarHBondContact O-N 2.77Å; I159-H162 PolarHBondContact O-N 3.06Å; I159-F163 HydrophobicContact CG2-CD2 4.34Å; I159-F163 WeakPolarHBondContact O-CA 3.41Å; I159-F163 WeakPolarHBondContact O-CB 3.35Å; I159-F163 PolarHBondContact O-N 3Å; I159-L165 HydrophobicContact CG2-CD1 3.85Å; I159-L165 HydrophobicContact CG2-CG 4.5Å; I159-A170 HydrophobicContact CB-CB 4.18Å; I159-A170 HydrophobicContact CG2-CB 3.84Å; I159-A174 HydrophobicContact CD1-CB 3.93Å |
| 160 | Q | 95.8 | Very high | 92 | Very high | 55 Ų | 55 | 56 Ų | 56 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 179.6 | -70.6 | -176.1 | -62.5 | 0 | 0 | 112.1 | V156 D157 L164 D167 A170 | V156-Q160 HydrophobicContact CG1-CG 4.48Å; V156-Q160 WeakPolarHBondContact O-CG 3.2Å; V156-Q160 PolarHBondContact O-N 2.79Å; D157-Q160 PolarHBondContact O-N 3.38Å; Q160-L164 WeakPolarHBondContact O-CA 3.37Å; Q160-L164 PolarHBondContact O-N 3.34Å; Q160-D167 VanDerWaalsContact NE2-CA 3.26Å; Q160-A170 HydrophobicContact CG-CB 3.47Å; Q160-A170 VanDerWaalsContact CG-CB 3.47Å |
| 161 | Q | 93.7 | Very high | 92.8 | Very high | 128 Ų | 128 | 52.8 Ų | 52.8 | 60% | 0.598 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.2 | -40.4 | -178.3 | -69.9 | 175.3 | 13.4 | 0 | 0 | 112.4 | D157 I159 | D157-Q161 WeakPolarHBondContact O-CB 3.39Å; D157-Q161 VanDerWaalsContact O-CG 3.25Å; D157-Q161 WeakPolarHBondContact O-CG 3.25Å; D157-Q161 PolarHBondContact O-N 2.85Å; I159-Q161 PolarHBondContact O-N 2.77Å |
| 162 | H | 94.6 | Very high | 93.5 | Very high | 80 Ų | 80 | 52.4 Ų | 52.4 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -86.5 | -28 | -175.9 | -78.6 | -97.4 | 0 | 0 | 0 | 114.2 | P74 V147 M151 N158 I159 | P74-H162 VanDerWaalsContact CD-O 3.22Å; P74-H162 WeakPolarHBondContact CD-O 3.44Å; V147-H162 HydrophobicContact CG1-CB 3.97Å; M151-H162 VanDerWaalsContact CE-CD2 3.42Å; M151-H162 WeakPolarHBondContact CE-CD2 3.49Å; M151-H162 WeakPolarHBondContact CE-NE2 3.47Å; N158-H162 WeakPolarHBondContact O-CB 3.27Å; N158-H162 PolarHBondContact O-CD2 3.44Å; N158-H162 PolarHBondContact O-N 3.33Å; N158-H162 VanDerWaalsContact O-N 3.08Å; I159-H162 PolarHBondContact O-N 3.06Å |
| 163 | F | 96.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -115.1 | -7.3 | -176.8 | -63.8 | -80.9 | 0 | 0 | 0 | 114.1 | P73 I93 Y97 R143 V144 V147 I159 L165 | P73-F163 WeakPolarHBondContact CB-O 3.39Å; P73-F163 HydrophobicContact CG-CB 4.45Å; P73-F163 HydrophobicContact CG-CD1 4.3Å; P73-F163 WeakPolarHBondContact CG-O 3.33Å; I93-F163 WeakPolarHBondContact CG2-O 3.32Å; Y97-F163 AromaticContact CE1-CD1 3.62Å; Y97-F163 HydrophobicContact CE1-CD1 3.62Å; Y97-F163 AromaticContact CE1-CE1 3.98Å; Y97-F163 HydrophobicContact CE1-CE1 3.98Å; Y97-F163 HydrophobicContact CE1-CG 4.38Å; Y97-F163 HydrophobicContact CE2-CD1 4.31Å; Y97-F163 AromaticContact CZ-CD1 3.47Å; Y97-F163 VanDerWaalsContact CZ-CD1 3.47Å; Y97-F163 AromaticContact CZ-CE1 3.92Å; Y97-F163 WeakPolarHBondContact OH-CD1 3.39Å; Y97-F163 VanDerWaalsContact OH-CE1 3.27Å; Y97-F163 WeakPolarHBondContact OH-CE1 3.42Å; R143-F163 HydrophobicContact CG-CE1 4.1Å; R143-F163 HydrophobicContact CG-CZ 4.34Å; V144-F163 HydrophobicContact CB-CE2 4.09Å; V144-F163 HydrophobicContact CB-CZ 4.2Å; V144-F163 HydrophobicContact CG1-CD2 4.43Å; V144-F163 HydrophobicContact CG1-CE2 4.11Å; V144-F163 HydrophobicContact CG2-CD1 4.21Å; V144-F163 HydrophobicContact CG2-CD2 4.03Å; V144-F163 HydrophobicContact CG2-CE1 4.01Å; V144-F163 HydrophobicContact CG2-CE2 3.82Å; V144-F163 HydrophobicContact CG2-CG 4.21Å; V144-F163 HydrophobicContact CG2-CZ 3.8Å; V147-F163 HydrophobicContact CB-CE2 3.9Å; V147-F163 HydrophobicContact CB-CZ 3.88Å; V147-F163 HydrophobicContact CG1-CE2 4Å; V147-F163 HydrophobicContact CG1-CZ 4.31Å; V147-F163 HydrophobicContact CG2-CE2 4.27Å; V147-F163 HydrophobicContact CG2-CZ 3.75Å; I159-F163 HydrophobicContact CG2-CD2 4.34Å; I159-F163 WeakPolarHBondContact O-CA 3.41Å; I159-F163 WeakPolarHBondContact O-CB 3.35Å; I159-F163 PolarHBondContact O-N 3Å; F163-L165 HydrophobicContact CB-CD1 3.98Å; F163-L165 HydrophobicContact CB-CD2 4.19Å; F163-L165 HydrophobicContact CB-CG 3.68Å; F163-L165 PolarHBondContact O-N 3.11Å |
| 164 | L | 96.2 | Very high | 95 | Very high | 60 Ų | 60 | 44 Ų | 44 | 31% | 0.314 | 21% | 0.214 | S | C | . | . | trans | 57.8 | 33.8 | 176.9 | -49.3 | 174.4 | 0 | 0 | 0 | 113 | P73 L77 I93 Q160 | P73-L164 HydrophobicContact CB-CB 4.3Å; P73-L164 HydrophobicContact CB-CD1 3.85Å; P73-L164 HydrophobicContact CB-CG 4.05Å; L77-L164 HydrophobicContact CD1-CD1 3.41Å; L77-L164 VanDerWaalsContact CD1-CD1 3.41Å; L77-L164 HydrophobicContact CG-CD1 3.93Å; I93-L164 HydrophobicContact CD1-CB 4.38Å; I93-L164 HydrophobicContact CD1-CD1 4.13Å; Q160-L164 WeakPolarHBondContact O-CA 3.37Å; Q160-L164 PolarHBondContact O-N 3.34Å | ||
| 165 | L | 97.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | trans | -84.6 | 156 | -179.6 | -53.3 | -176.8 | 0 | 0 | 0 | 111.1 | I93 Y97 I159 F163 L169 Y173 | I93-L165 HydrophobicContact CG2-CD2 3.76Å; Y97-L165 HydrophobicContact CD1-CD1 4.3Å; Y97-L165 HydrophobicContact CD1-CD2 4.5Å; Y97-L165 HydrophobicContact CD2-CD2 4.01Å; Y97-L165 HydrophobicContact CG-CD1 4.33Å; Y97-L165 HydrophobicContact CG-CD2 3.81Å; I159-L165 HydrophobicContact CG2-CD1 3.85Å; I159-L165 HydrophobicContact CG2-CG 4.5Å; F163-L165 HydrophobicContact CB-CD1 3.98Å; F163-L165 HydrophobicContact CB-CD2 4.19Å; F163-L165 HydrophobicContact CB-CG 3.68Å; F163-L165 PolarHBondContact O-N 3.11Å; L165-L169 HydrophobicContact CB-CB 4.39Å; L165-L169 HydrophobicContact CB-CD2 4.43Å; L165-L169 HydrophobicContact CD1-CD2 4.23Å; L165-L169 HydrophobicContact CD1-CG 4.17Å; L165-L169 HydrophobicContact CD2-CD2 4.12Å; L165-L169 HydrophobicContact CG-CD2 4.48Å; L165-Y173 HydrophobicContact CD1-CD2 3.79Å; L165-Y173 HydrophobicContact CD1-CE2 4Å; L165-Y173 HydrophobicContact CD1-CG 4.49Å | ||
| 166 | S | 97.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 31% | 0.308 | 20% | 0.201 | S | C | . | . | trans | -58.1 | 155.4 | 168.6 | 72.9 | 0 | 0 | 0 | 0 | 112 | E94 R168 L169 A170 | E94-S166 WeakPolarHBondContact OE1-CB 3.48Å; E94-S166 PolarHBondContact OE1-OG 3.21Å; E94-S166 PolarHBondContact OE2-N 3.15Å; S166-R168 VanDerWaalsContact C-N 3.26Å; S166-R168 PolarHBondContact O-N 2.92Å; S166-L169 PolarHBondContact O-N 2.77Å; S166-L169 WeakPolarHBondContact OG-CB 3.38Å; S166-L169 PolarHBondContact OG-N 3.24Å; S166-A170 VanDerWaalsContact O-CB 3.29Å; S166-A170 WeakPolarHBondContact O-CB 3.17Å; S166-A170 PolarHBondContact O-N 3.27Å | ||
| 167 | D | 96.8 | Very high | 96 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -53.5 | -44.6 | 176.2 | 173.4 | 84.2 | 0 | 0 | 0 | 111.9 | Q160 A170 R171 | Q160-D167 VanDerWaalsContact NE2-CA 3.26Å; D167-A170 PolarHBondContact O-N 3.34Å; D167-R171 WeakPolarHBondContact O-CG 3.37Å; D167-R171 PolarHBondContact O-N 2.85Å; D167-R171 IonicContact OD1-CZ 3.49Å; D167-R171 IonicContact OD1-NE 2.79Å; D167-R171 PolarHBondContact OD1-NE 2.77Å; D167-R171 IonicContact OD1-NH2 4Å; D167-R171 PolarHBondContact OD1-NH2 3.33Å; D167-R171 IonicContact OD2-CZ 2.77Å; D167-R171 IonicContact OD2-NE 2.93Å; D167-R171 PolarHBondContact OD2-NE 3.43Å; D167-R171 IonicContact OD2-NH2 3.78Å |
| 168 | R | 96.6 | Very high | 96.1 | Very high | 175 Ų | 175 | 37.6 Ų | 37.6 | 66% | 0.66 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -59.1 | -53.9 | 177.6 | -179.9 | -179.3 | 172.3 | -176 | -1.3 | 111.7 | S166 A170 R171 D172 | S166-R168 VanDerWaalsContact C-N 3.26Å; S166-R168 PolarHBondContact O-N 2.92Å; R168-A170 VanDerWaalsContact C-N 3.29Å; R168-A170 PolarHBondContact O-N 3.19Å; R168-R171 PolarHBondContact O-N 3.46Å; R168-D172 PolarHBondContact O-N 3.41Å |
| 169 | L | 97.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.5 | -35.4 | -176.9 | -173.4 | 58.7 | 0 | 0 | 0 | 111.1 | E94 F99 L165 S166 D172 Y173 | E94-L169 HydrophobicContact CG-CD2 4.43Å; F99-L169 HydrophobicContact CD1-CD1 4.14Å; F99-L169 HydrophobicContact CE1-CD1 3.57Å; F99-L169 HydrophobicContact CZ-CD1 4.2Å; L165-L169 HydrophobicContact CB-CB 4.39Å; L165-L169 HydrophobicContact CB-CD2 4.43Å; L165-L169 HydrophobicContact CD1-CD2 4.23Å; L165-L169 HydrophobicContact CD1-CG 4.17Å; L165-L169 HydrophobicContact CD2-CD2 4.12Å; L165-L169 HydrophobicContact CG-CD2 4.48Å; S166-L169 PolarHBondContact O-N 2.77Å; S166-L169 WeakPolarHBondContact OG-CB 3.38Å; S166-L169 PolarHBondContact OG-N 3.24Å; L169-D172 PolarHBondContact O-N 3.08Å; L169-Y173 HydrophobicContact CD1-CD2 3.93Å; L169-Y173 HydrophobicContact CD1-CE2 3.84Å; L169-Y173 HydrophobicContact CD2-CE2 4.41Å; L169-Y173 HydrophobicContact CG-CD2 3.9Å; L169-Y173 HydrophobicContact CG-CE2 3.95Å; L169-Y173 WeakPolarHBondContact O-CD2 3.36Å; L169-Y173 PolarHBondContact O-N 3.49Å |
| 170 | A | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V156 I159 Q160 S166 D167 R168 Y173 A174 | V156-A170 HydrophobicContact CG1-CB 3.96Å; I159-A170 HydrophobicContact CB-CB 4.18Å; I159-A170 HydrophobicContact CG2-CB 3.84Å; Q160-A170 HydrophobicContact CG-CB 3.47Å; Q160-A170 VanDerWaalsContact CG-CB 3.47Å; S166-A170 VanDerWaalsContact O-CB 3.29Å; S166-A170 WeakPolarHBondContact O-CB 3.17Å; S166-A170 PolarHBondContact O-N 3.27Å; D167-A170 PolarHBondContact O-N 3.34Å; R168-A170 VanDerWaalsContact C-N 3.29Å; R168-A170 PolarHBondContact O-N 3.19Å; A170-Y173 PolarHBondContact O-N 3.08Å; A170-A174 WeakPolarHBondContact O-CB 3.48Å; A170-A174 PolarHBondContact O-N 3.33Å |
| 171 | R | 96.7 | Very high | 95.8 | Very high | 88 Ų | 88 | 36.6 Ų | 36.6 | 33% | 0.332 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.1 | -72.1 | 176.4 | -164.7 | -82.3 | -20.8 | 112.1 | V156 D167 R168 Y173 A174 A175 E204 | V156-R171 HydrophobicContact CG1-CG 4.09Å; V156-R171 HydrophobicContact CG2-CG 4Å; D167-R171 WeakPolarHBondContact O-CG 3.37Å; D167-R171 PolarHBondContact O-N 2.85Å; D167-R171 IonicContact OD1-CZ 3.49Å; D167-R171 IonicContact OD1-NE 2.79Å; D167-R171 PolarHBondContact OD1-NE 2.77Å; D167-R171 IonicContact OD1-NH2 4Å; D167-R171 PolarHBondContact OD1-NH2 3.33Å; D167-R171 IonicContact OD2-CZ 2.77Å; D167-R171 IonicContact OD2-NE 2.93Å; D167-R171 PolarHBondContact OD2-NE 3.43Å; D167-R171 IonicContact OD2-NH2 3.78Å; R168-R171 PolarHBondContact O-N 3.46Å; R171-Y173 PolarHBondContact O-N 2.87Å; R171-A174 WeakPolarHBondContact O-CB 3.32Å; R171-A174 PolarHBondContact O-N 3.24Å; R171-A175 PolarHBondContact O-N 2.87Å; R171-E204 IonicContact CZ-OE1 3.18Å; R171-E204 IonicContact NH1-OE1 3.06Å; R171-E204 PolarHBondContact NH1-OE1 3.38Å |
| 172 | D | 97.9 | Very high | 95.7 | Very high | 35 Ų | 35 | 31.7 Ų | 31.7 | 19% | 0.187 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 178.5 | -65.3 | -29.4 | 0 | 0 | 0 | 111.4 | F99 R168 L169 A175 I176 F196 | F99-D172 HydrophobicContact CE1-CB 4.42Å; F99-D172 HydrophobicContact CZ-CB 3.74Å; R168-D172 PolarHBondContact O-N 3.41Å; L169-D172 PolarHBondContact O-N 3.08Å; D172-A175 WeakPolarHBondContact O-CB 3.26Å; D172-A175 PolarHBondContact O-N 2.93Å; D172-I176 WeakPolarHBondContact O-CG1 3.09Å; D172-I176 PolarHBondContact O-N 3.25Å; D172-F196 HydrophobicContact CB-CE1 3.94Å; D172-F196 HydrophobicContact CB-CZ 3.95Å |
| 173 | Y | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 171.7 | -93.9 | -83 | 0 | 0 | 0 | 112.5 | Y97 F99 N140 F141 V144 L165 L169 A170 R171 A175 I176 V177 | Y97-Y173 HydrophobicContact CD1-CE1 4.39Å; Y97-Y173 HydrophobicContact CD1-CE2 4.19Å; Y97-Y173 AromaticContact CD1-CZ 3.79Å; Y97-Y173 WeakPolarHBondContact CD1-OH 3.45Å; Y97-Y173 VanDerWaalsContact O-CE2 3.3Å; Y97-Y173 WeakPolarHBondContact O-CE2 3.43Å; Y97-Y173 PolarHBondContact O-OH 2.97Å; F99-Y173 HydrophobicContact CD1-CD2 4.5Å; F99-Y173 AromaticContact CD1-CE2 3.82Å; F99-Y173 HydrophobicContact CD1-CE2 3.82Å; F99-Y173 AromaticContact CD1-CZ 4Å; F99-Y173 AromaticContact CE1-CD2 3.91Å; F99-Y173 HydrophobicContact CE1-CD2 3.91Å; F99-Y173 AromaticContact CE1-CE2 3.68Å; F99-Y173 HydrophobicContact CE1-CE2 3.68Å; N140-Y173 WeakPolarHBondContact CB-OH 3.4Å; F141-Y173 AromaticContact CD1-CD1 3.99Å; F141-Y173 HydrophobicContact CD1-CD1 3.99Å; F141-Y173 AromaticContact CD1-CE1 3.37Å; F141-Y173 HydrophobicContact CD1-CE1 3.37Å; F141-Y173 AromaticContact CD1-CZ 3.99Å; F141-Y173 HydrophobicContact CE1-CD1 4.42Å; F141-Y173 AromaticContact CE1-CE1 3.74Å; F141-Y173 HydrophobicContact CE1-CE1 3.74Å; F141-Y173 AromaticContact CE1-CZ 3.91Å; V144-Y173 HydrophobicContact CB-CD1 3.83Å; V144-Y173 HydrophobicContact CB-CE1 4.13Å; V144-Y173 HydrophobicContact CG1-CD1 3.89Å; V144-Y173 HydrophobicContact CG1-CG 4.42Å; V144-Y173 HydrophobicContact CG2-CD1 3.64Å; V144-Y173 HydrophobicContact CG2-CE1 3.6Å; V144-Y173 HydrophobicContact CG2-CG 4.4Å; L165-Y173 HydrophobicContact CD1-CD2 3.79Å; L165-Y173 HydrophobicContact CD1-CE2 4Å; L165-Y173 HydrophobicContact CD1-CG 4.49Å; L169-Y173 HydrophobicContact CD1-CD2 3.93Å; L169-Y173 HydrophobicContact CD1-CE2 3.84Å; L169-Y173 HydrophobicContact CD2-CE2 4.41Å; L169-Y173 HydrophobicContact CG-CD2 3.9Å; L169-Y173 HydrophobicContact CG-CE2 3.95Å; L169-Y173 WeakPolarHBondContact O-CD2 3.36Å; L169-Y173 PolarHBondContact O-N 3.49Å; A170-Y173 PolarHBondContact O-N 3.08Å; R171-Y173 PolarHBondContact O-N 2.87Å; Y173-A175 VanDerWaalsContact C-N 3.31Å; Y173-A175 PolarHBondContact O-N 3.49Å; Y173-I176 PolarHBondContact O-N 2.98Å; Y173-V177 WeakPolarHBondContact O-CG2 3.44Å; Y173-V177 PolarHBondContact O-N 2.93Å |
| 174 | A | 95.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | L155 V156 I159 A170 R171 I176 V177 F178 I207 | L155-A174 HydrophobicContact CB-CB 4.37Å; L155-A174 HydrophobicContact CD2-CB 3.7Å; L155-A174 WeakPolarHBondContact CD2-O 3.31Å; L155-A174 HydrophobicContact CG-CB 3.73Å; V156-A174 HydrophobicContact CG2-CB 3.93Å; I159-A174 HydrophobicContact CD1-CB 3.93Å; A170-A174 WeakPolarHBondContact O-CB 3.48Å; A170-A174 PolarHBondContact O-N 3.33Å; R171-A174 WeakPolarHBondContact O-CB 3.32Å; R171-A174 PolarHBondContact O-N 3.24Å; A174-I176 PolarHBondContact O-N 3.37Å; A174-V177 PolarHBondContact O-N 3.41Å; A174-F178 VanDerWaalsContact O-CB 3.25Å; A174-F178 WeakPolarHBondContact O-CB 3.33Å; A174-F178 PolarHBondContact O-N 3.24Å; A174-I207 HydrophobicContact CB-CD1 4.46Å |
| 175 | A | 96.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R171 D172 Y173 V177 F178 F179 A200 A203 | R171-A175 PolarHBondContact O-N 2.87Å; D172-A175 WeakPolarHBondContact O-CB 3.26Å; D172-A175 PolarHBondContact O-N 2.93Å; Y173-A175 VanDerWaalsContact C-N 3.31Å; Y173-A175 PolarHBondContact O-N 3.49Å; A175-V177 PolarHBondContact O-N 3.2Å; A175-F178 PolarHBondContact O-N 2.83Å; A175-F179 WeakPolarHBondContact O-CB 3.43Å; A175-F179 WeakPolarHBondContact O-CD2 3.5Å; A175-F179 PolarHBondContact O-N 3.38Å; A175-A200 HydrophobicContact CB-CB 4.02Å; A175-A203 HydrophobicContact CB-CB 3.5Å |
| 176 | I | 96.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 177.7 | -67 | 168 | 0 | 0 | 0 | 111 | F99 V104 L108 F141 D172 Y173 A174 F179 A180 F196 | F99-I176 HydrophobicContact CD1-CD1 4.45Å; F99-I176 HydrophobicContact CE1-CD1 3.88Å; F99-I176 HydrophobicContact CE2-CD1 4.26Å; F99-I176 HydrophobicContact CZ-CD1 3.78Å; V104-I176 HydrophobicContact CG1-CD1 3.83Å; V104-I176 HydrophobicContact CG1-CG1 3.84Å; V104-I176 HydrophobicContact CG2-CD1 4Å; L108-I176 HydrophobicContact CD1-CG1 4.27Å; F141-I176 HydrophobicContact CB-CG2 4.42Å; F141-I176 HydrophobicContact CD1-CD1 3.94Å; F141-I176 HydrophobicContact CD1-CG2 4.03Å; F141-I176 HydrophobicContact CE1-CD1 3.47Å; F141-I176 VanDerWaalsContact CE1-CD1 3.47Å; F141-I176 HydrophobicContact CG-CG2 4.09Å; F141-I176 HydrophobicContact CZ-CD1 3.9Å; D172-I176 WeakPolarHBondContact O-CG1 3.09Å; D172-I176 PolarHBondContact O-N 3.25Å; Y173-I176 PolarHBondContact O-N 2.98Å; A174-I176 PolarHBondContact O-N 3.37Å; I176-F179 PolarHBondContact O-N 2.87Å; I176-A180 VanDerWaalsContact O-CB 3.31Å; I176-A180 WeakPolarHBondContact O-CB 3.42Å; I176-A180 PolarHBondContact O-N 3.29Å; I176-F196 HydrophobicContact CD1-CE2 4.32Å; I176-F196 HydrophobicContact CD1-CZ 4.19Å; I176-F196 HydrophobicContact CG1-CE2 3.77Å; I176-F196 HydrophobicContact CG1-CZ 3.99Å |
| 177 | V | 94.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -48.5 | 178.1 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | V144 F145 V148 L155 Y173 A174 A175 F179 A180 N181 M231 | V144-V177 HydrophobicContact CG1-CG2 4.13Å; F145-V177 HydrophobicContact CB-CG2 4.27Å; F145-V177 HydrophobicContact CD2-CB 4.26Å; F145-V177 HydrophobicContact CD2-CG1 3.83Å; F145-V177 HydrophobicContact CD2-CG2 4.2Å; F145-V177 HydrophobicContact CE2-CG1 4.19Å; V148-V177 HydrophobicContact CG2-CG1 3.83Å; V148-V177 HydrophobicContact CG2-CG2 4.14Å; L155-V177 HydrophobicContact CD1-CG1 4.2Å; L155-V177 HydrophobicContact CD2-CB 4.28Å; L155-V177 HydrophobicContact CD2-CG1 4.13Å; Y173-V177 WeakPolarHBondContact O-CG2 3.44Å; Y173-V177 PolarHBondContact O-N 2.93Å; A174-V177 PolarHBondContact O-N 3.41Å; A175-V177 PolarHBondContact O-N 3.2Å; V177-F179 VanDerWaalsContact C-N 3.32Å; V177-F179 PolarHBondContact O-N 2.82Å; V177-A180 PolarHBondContact O-N 3.03Å; V177-N181 WeakPolarHBondContact O-CB 3.34Å; V177-N181 PolarHBondContact O-N 3.46Å; V177-M231 HydrophobicContact CG1-CG 4.34Å; V177-M231 HydrophobicContact CG1-SD 3.59Å; V177-M231 VanDerWaalsContact CG1-SD 3.59Å |
| 178 | F | 93.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 178.3 | -179.3 | -107.4 | 0 | 0 | 0 | 112 | A174 A175 N181 N182 F184 A203 M206 I207 T211 L233 | A174-F178 VanDerWaalsContact O-CB 3.25Å; A174-F178 WeakPolarHBondContact O-CB 3.33Å; A174-F178 PolarHBondContact O-N 3.24Å; A175-F178 PolarHBondContact O-N 2.83Å; F178-N181 PolarHBondContact O-N 3.31Å; F178-N182 WeakPolarHBondContact CD2-ND2 3.47Å; F178-N182 WeakPolarHBondContact CE2-ND2 3.33Å; F178-N182 WeakPolarHBondContact O-CB 3.43Å; F178-N182 PolarHBondContact O-N 2.91Å; F178-N182 VanDerWaalsContact O-N 3.08Å; F178-N182 PolarHBondContact O-ND2 3.45Å; F178-F184 AromaticContact CD1-CE2 3.98Å; F178-F184 HydrophobicContact CD1-CE2 3.98Å; F178-F184 AromaticContact CE1-CE2 3.54Å; F178-F184 HydrophobicContact CE1-CE2 3.54Å; F178-F184 HydrophobicContact CE1-CZ 4.08Å; F178-F184 HydrophobicContact CZ-CE2 4.16Å; F178-F184 HydrophobicContact CZ-CZ 4.39Å; F178-A203 HydrophobicContact CD1-CB 4.11Å; F178-M206 HydrophobicContact CE1-CB 3.83Å; F178-M206 HydrophobicContact CE1-CE 4.1Å; F178-M206 HydrophobicContact CE1-SD 4.3Å; F178-M206 HydrophobicContact CZ-CB 3.87Å; F178-M206 HydrophobicContact CZ-CE 4.2Å; F178-I207 HydrophobicContact CB-CD1 3.82Å; F178-I207 HydrophobicContact CB-CG1 4.15Å; F178-I207 HydrophobicContact CD1-CD1 4.39Å; F178-I207 HydrophobicContact CD1-CG1 4.14Å; F178-I207 HydrophobicContact CD2-CD1 4.32Å; F178-I207 HydrophobicContact CD2-CG1 3.7Å; F178-I207 HydrophobicContact CE1-CG1 4.46Å; F178-I207 HydrophobicContact CE2-CG1 4.06Å; F178-I207 HydrophobicContact CG-CD1 3.95Å; F178-I207 HydrophobicContact CG-CG1 3.74Å; F178-I207 HydrophobicContact CZ-CG1 4.42Å; F178-T211 HydrophobicContact CE2-CG2 4.04Å; F178-L233 HydrophobicContact CE2-CD2 4.23Å; F178-L233 HydrophobicContact CZ-CD2 3.78Å; F178-L233 HydrophobicContact CZ-CG 4.34Å |
| 179 | F | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.7 | -92.1 | -112.6 | 0 | 0 | 0 | 113 | L108 A175 I176 V177 N181 R183 F184 T186 F199 A203 F303 | L108-F179 HydrophobicContact CD1-CB 3.64Å; L108-F179 HydrophobicContact CD1-CD1 4.08Å; L108-F179 HydrophobicContact CD1-CG 3.86Å; L108-F179 HydrophobicContact CD2-CD1 3.82Å; L108-F179 HydrophobicContact CD2-CE1 4.02Å; L108-F179 HydrophobicContact CD2-CG 4.33Å; L108-F179 HydrophobicContact CG-CB 4.04Å; L108-F179 HydrophobicContact CG-CD1 3.63Å; L108-F179 HydrophobicContact CG-CE1 4.33Å; L108-F179 HydrophobicContact CG-CG 3.96Å; A175-F179 WeakPolarHBondContact O-CB 3.43Å; A175-F179 WeakPolarHBondContact O-CD2 3.5Å; A175-F179 PolarHBondContact O-N 3.38Å; I176-F179 PolarHBondContact O-N 2.87Å; V177-F179 VanDerWaalsContact C-N 3.32Å; V177-F179 PolarHBondContact O-N 2.82Å; F179-N181 VanDerWaalsContact C-N 3.32Å; F179-N181 PolarHBondContact O-N 3.06Å; F179-R183 VanDerWaalsContact O-CA 3.28Å; F179-R183 WeakPolarHBondContact O-CA 3.36Å; F179-R183 PolarHBondContact O-N 3.46Å; F179-F184 HydrophobicContact CB-CD2 4.48Å; F179-F184 HydrophobicContact CD1-CB 3.66Å; F179-F184 AromaticContact CD1-CD2 3.9Å; F179-F184 HydrophobicContact CD1-CD2 3.9Å; F179-F184 HydrophobicContact CD1-CG 4.21Å; F179-F184 HydrophobicContact CD2-CD2 4.05Å; F179-F184 HydrophobicContact CE1-CB 3.75Å; F179-F184 HydrophobicContact CE1-CD2 4.08Å; F179-F184 HydrophobicContact CE1-CG 4.2Å; F179-F184 HydrophobicContact CE2-CD2 4.2Å; F179-F184 HydrophobicContact CG-CB 4.45Å; F179-F184 AromaticContact CG-CD2 3.9Å; F179-F184 HydrophobicContact CG-CD2 3.9Å; F179-F184 HydrophobicContact CZ-CD2 4.24Å; F179-T186 HydrophobicContact CD1-CG2 3.76Å; F179-T186 HydrophobicContact CE1-CG2 3.65Å; F179-F199 HydrophobicContact CE1-CB 4.04Å; F179-F199 AromaticContact CE1-CD1 3.69Å; F179-F199 HydrophobicContact CE1-CD1 3.69Å; F179-F199 HydrophobicContact CE1-CE1 4.48Å; F179-F199 HydrophobicContact CE1-CG 4.05Å; F179-F199 HydrophobicContact CE2-CB 4.38Å; F179-F199 HydrophobicContact CZ-CB 3.71Å; F179-F199 AromaticContact CZ-CD1 3.73Å; F179-F199 HydrophobicContact CZ-CD1 3.73Å; F179-F199 HydrophobicContact CZ-CG 4.09Å; F179-A203 HydrophobicContact CD2-CB 4.01Å; F179-A203 HydrophobicContact CE2-CB 3.63Å; F179-F303 HydrophobicContact CE1-CD2 4.21Å; F179-F303 AromaticContact CE1-CE2 3.67Å; F179-F303 HydrophobicContact CE1-CE2 3.67Å; F179-F303 HydrophobicContact CE1-CZ 4.26Å; F179-F303 HydrophobicContact CE2-CE2 4.28Å; F179-F303 HydrophobicContact CE2-CZ 4.3Å; F179-F303 HydrophobicContact CZ-CD2 4.26Å; F179-F303 AromaticContact CZ-CE2 3.34Å; F179-F303 HydrophobicContact CZ-CE2 3.34Å; F179-F303 AromaticContact CZ-CZ 3.51Å; F179-F303 HydrophobicContact CZ-CZ 3.51Å |
| 180 | A | 92.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.3 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L112 F145 I176 V177 | L112-A180 HydrophobicContact CD1-CB 4.1Å; L112-A180 HydrophobicContact CG-CB 3.98Å; F145-A180 HydrophobicContact CD2-CB 4.12Å; F145-A180 HydrophobicContact CE2-CB 3.98Å; I176-A180 VanDerWaalsContact O-CB 3.31Å; I176-A180 WeakPolarHBondContact O-CB 3.42Å; I176-A180 PolarHBondContact O-N 3.29Å; V177-A180 PolarHBondContact O-N 3.03Å |
| 181 | N | 90.3 | Very high | 94.8 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -54.3 | 178.2 | -171 | 49 | 0 | 0 | 0 | 111.1 | F145 V177 F178 F179 R183 M231 D232 | F145-N181 HydrophobicContact CE2-CB 4.11Å; F145-N181 HydrophobicContact CZ-CB 4.44Å; V177-N181 WeakPolarHBondContact O-CB 3.34Å; V177-N181 PolarHBondContact O-N 3.46Å; F178-N181 PolarHBondContact O-N 3.31Å; F179-N181 VanDerWaalsContact C-N 3.32Å; F179-N181 PolarHBondContact O-N 3.06Å; N181-R183 VanDerWaalsContact C-N 3.32Å; N181-R183 PolarHBondContact O-N 3.02Å; N181-M231 PolarHBondContact ND2-O 2.81Å; N181-D232 PolarHBondContact ND2-OD1 3.33Å |
| 182 | N | 91.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 13% | 0.134 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -78.2 | -15.6 | -176.9 | -69.2 | -76.8 | 0 | 0 | 0 | 113.6 | F178 F184 M231 | F178-N182 WeakPolarHBondContact CD2-ND2 3.47Å; F178-N182 WeakPolarHBondContact CE2-ND2 3.33Å; F178-N182 WeakPolarHBondContact O-CB 3.43Å; F178-N182 PolarHBondContact O-N 2.91Å; F178-N182 VanDerWaalsContact O-N 3.08Å; F178-N182 PolarHBondContact O-ND2 3.45Å; N182-F184 HydrophobicContact CB-CD2 3.94Å; N182-F184 HydrophobicContact CB-CE2 3.45Å; N182-F184 VanDerWaalsContact CB-CE2 3.45Å; N182-F184 HydrophobicContact CB-CZ 3.78Å; N182-M231 PolarHBondContact ND2-O 3.21Å |
| 183 | R | 92.8 | Very high | 94.5 | Very high | 101 Ų | 101 | 40.3 Ų | 40.3 | 38% | 0.381 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 41.9 | 178.8 | -52.4 | -175.9 | -172.5 | 169.1 | 8.9 | 114.2 | G109 F179 N181 E185 R300 | G109-R183 WeakPolarHBondContact O-CA 3.35Å; F179-R183 VanDerWaalsContact O-CA 3.28Å; F179-R183 WeakPolarHBondContact O-CA 3.36Å; F179-R183 PolarHBondContact O-N 3.46Å; N181-R183 VanDerWaalsContact C-N 3.32Å; N181-R183 PolarHBondContact O-N 3.02Å; R183-E185 PolarHBondContact O-N 3.17Å; R183-R300 HydrophobicContact CB-CG 4.21Å; R183-R300 WeakPolarHBondContact O-CB 3.33Å; R183-R300 VanDerWaalsContact O-CG 3.23Å; R183-R300 WeakPolarHBondContact O-CG 3.46Å |
| 184 | F | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | trans | -54.7 | 135.7 | 175.3 | -67.5 | -68.3 | 0 | 0 | 0 | 111.4 | G109 F178 F179 N182 T186 M206 L233 V299 R300 L302 F303 | G109-F184 VanDerWaalsContact CA-O 3.28Å; G109-F184 WeakPolarHBondContact CA-O 3.31Å; F178-F184 AromaticContact CD1-CE2 3.98Å; F178-F184 HydrophobicContact CD1-CE2 3.98Å; F178-F184 AromaticContact CE1-CE2 3.54Å; F178-F184 HydrophobicContact CE1-CE2 3.54Å; F178-F184 HydrophobicContact CE1-CZ 4.08Å; F178-F184 HydrophobicContact CZ-CE2 4.16Å; F178-F184 HydrophobicContact CZ-CZ 4.39Å; F179-F184 HydrophobicContact CB-CD2 4.48Å; F179-F184 HydrophobicContact CD1-CB 3.66Å; F179-F184 AromaticContact CD1-CD2 3.9Å; F179-F184 HydrophobicContact CD1-CD2 3.9Å; F179-F184 HydrophobicContact CD1-CG 4.21Å; F179-F184 HydrophobicContact CD2-CD2 4.05Å; F179-F184 HydrophobicContact CE1-CB 3.75Å; F179-F184 HydrophobicContact CE1-CD2 4.08Å; F179-F184 HydrophobicContact CE1-CG 4.2Å; F179-F184 HydrophobicContact CE2-CD2 4.2Å; F179-F184 HydrophobicContact CG-CB 4.45Å; F179-F184 AromaticContact CG-CD2 3.9Å; F179-F184 HydrophobicContact CG-CD2 3.9Å; F179-F184 HydrophobicContact CZ-CD2 4.24Å; N182-F184 HydrophobicContact CB-CD2 3.94Å; N182-F184 HydrophobicContact CB-CE2 3.45Å; N182-F184 VanDerWaalsContact CB-CE2 3.45Å; N182-F184 HydrophobicContact CB-CZ 3.78Å; F184-T186 PolarHBondContact O-N 3.46Å; F184-M206 HydrophobicContact CE1-CE 3.96Å; F184-M206 HydrophobicContact CE2-CE 4.23Å; F184-M206 HydrophobicContact CZ-CE 3.45Å; F184-M206 VanDerWaalsContact CZ-CE 3.45Å; F184-L233 HydrophobicContact CZ-CD1 4.31Å; F184-V299 WeakPolarHBondContact CD1-O 3.34Å; F184-V299 HydrophobicContact CE1-CG1 3.81Å; F184-V299 WeakPolarHBondContact CE1-O 3.45Å; F184-V299 HydrophobicContact CZ-CG1 4.2Å; F184-R300 CarbonylContact C-O 3.59Å; F184-R300 WeakPolarHBondContact CA-O 3.38Å; F184-L302 HydrophobicContact CD1-CB 4.37Å; F184-L302 HydrophobicContact CE1-CB 4.24Å; F184-L302 HydrophobicContact CE1-CD2 4.09Å; F184-F303 HydrophobicContact CB-CD2 4.1Å; F184-F303 HydrophobicContact CB-CE2 4.11Å; F184-F303 HydrophobicContact CD1-CD2 4.05Å; F184-F303 AromaticContact CD1-CE2 3.84Å; F184-F303 HydrophobicContact CD1-CE2 3.84Å; F184-F303 HydrophobicContact CD2-CE2 4.23Å; F184-F303 HydrophobicContact CE1-CE2 4.35Å; F184-F303 HydrophobicContact CG-CD2 4.16Å; F184-F303 AromaticContact CG-CE2 3.8Å; F184-F303 HydrophobicContact CG-CE2 3.8Å | ||
| 185 | E | 95.4 | Very high | 94.6 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | trans | -76.3 | 116.2 | 174.6 | 173.8 | 61.6 | -91.3 | 0 | 0 | 109.4 | R183 G187 K188 L191 R300 V304 | R183-E185 PolarHBondContact O-N 3.17Å; E185-G187 WeakPolarHBondContact OE1-CA 3.38Å; E185-G187 PolarHBondContact OE1-N 3.43Å; E185-K188 HydrophobicContact CG-CD 4.29Å; E185-K188 HydrophobicContact CG-CG 3.54Å; E185-K188 WeakPolarHBondContact OE2-CE 3.45Å; E185-K188 IonicContact OE2-NZ 2.82Å; E185-L191 VanDerWaalsContact O-CD1 3.24Å; E185-L191 WeakPolarHBondContact O-CD1 3.31Å; E185-R300 WeakPolarHBondContact CB-O 3.3Å; E185-R300 PolarHBondContact N-O 3.23Å; E185-V304 HydrophobicContact CB-CG2 4.41Å; E185-V304 HydrophobicContact CG-CG2 3.94Å | ||
| 186 | T | 95.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | trans | -120.9 | -7.8 | -179.5 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | R105 L108 F179 F184 F199 | R105-T186 VanDerWaalsContact CZ-O 3.27Å; R105-T186 PolarHBondContact NH1-O 3.34Å; R105-T186 PolarHBondContact NH1-OG1 3.32Å; R105-T186 PolarHBondContact NH2-O 3.2Å; L108-T186 HydrophobicContact CD2-CG2 4.1Å; L108-T186 HydrophobicContact CG-CG2 4.22Å; L108-T186 PolarHBondContact O-OG1 3.18Å; F179-T186 HydrophobicContact CD1-CG2 3.76Å; F179-T186 HydrophobicContact CE1-CG2 3.65Å; F184-T186 PolarHBondContact O-N 3.46Å; T186-F199 HydrophobicContact CG2-CD1 4.41Å; T186-F199 HydrophobicContact CG2-CE1 4.18Å; T186-F199 HydrophobicContact CG2-CZ 4.27Å | ||
| 187 | G | 93.2 | Very high | 94.6 | Very high | 52 Ų | 52 | 44.2 Ų | 44.2 | 54% | 0.536 | 23% | 0.227 | S | C | . | . | trans | -93.4 | -5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E185 | E185-G187 WeakPolarHBondContact OE1-CA 3.38Å; E185-G187 PolarHBondContact OE1-N 3.43Å | ||
| 188 | K | 94.7 | Very high | 94.8 | Very high | 98 Ų | 98 | 44.7 Ų | 44.7 | 43% | 0.426 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -64 | 144.9 | 178.5 | -63.7 | -67.4 | -178 | 179.6 | 0 | 111.2 | E185 K190 L191 V304 | E185-K188 HydrophobicContact CG-CD 4.29Å; E185-K188 HydrophobicContact CG-CG 3.54Å; E185-K188 WeakPolarHBondContact OE2-CE 3.45Å; E185-K188 IonicContact OE2-NZ 2.82Å; K188-K190 HydrophobicContact CB-CG 4.27Å; K188-K190 PolarHBondContact O-N 3.48Å; K188-K190 VanDerWaalsContact O-N 3.15Å; K188-L191 PolarHBondContact O-N 3.47Å; K188-V304 HydrophobicContact CB-CG2 4.2Å; K188-V304 HydrophobicContact CG-CG2 3.74Å |
| 189 | K | 94.1 | Very high | 95 | Very high | 179 Ų | 179 | 44.7 Ų | 44.7 | 78% | 0.778 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -50.9 | -41.5 | 179.5 | -70.9 | -172.5 | 177.7 | -176.4 | 0 | 113.1 | L191 Q192 | K189-L191 PolarHBondContact O-N 2.92Å; K189-L191 VanDerWaalsContact O-N 3.15Å; K189-Q192 WeakPolarHBondContact O-CB 3.44Å; K189-Q192 WeakPolarHBondContact O-CG 3.19Å; K189-Q192 PolarHBondContact O-N 2.8Å; K189-Q192 VanDerWaalsContact O-N 3.11Å |
| 190 | K | 94.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -65.9 | -12.6 | 178.8 | 69.8 | 177.4 | 68.4 | -132.7 | 0 | 114.7 | K188 Y193 V304 V307 E308 E312 | K188-K190 HydrophobicContact CB-CG 4.27Å; K188-K190 PolarHBondContact O-N 3.48Å; K188-K190 VanDerWaalsContact O-N 3.15Å; K190-Y193 VanDerWaalsContact O-CD1 3.31Å; K190-Y193 WeakPolarHBondContact O-CD1 3.37Å; K190-Y193 WeakPolarHBondContact O-CE1 3.24Å; K190-V304 HydrophobicContact CD-CG1 4.01Å; K190-V307 HydrophobicContact CB-CG1 4.47Å; K190-V307 HydrophobicContact CD-CG1 4.25Å; K190-V307 HydrophobicContact CG-CG1 4.47Å; K190-E308 HydrophobicContact CD-CG 3.87Å; K190-E308 WeakPolarHBondContact CE-OE1 3.26Å; K190-E308 IonicContact NZ-OE1 2.6Å; K190-E308 PolarHBondContact NZ-OE1 3.34Å; K190-E312 IonicContact NZ-OE1 3.32Å; K190-E312 PolarHBondContact NZ-OE1 3.24Å; K190-E312 IonicContact NZ-OE2 2.88Å; K190-E312 PolarHBondContact NZ-OE2 3.4Å |
| 191 | L | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -103.6 | -0 | 177.2 | -57.9 | -177.1 | 0 | 0 | 0 | 112.4 | R105 E185 K188 K189 Y193 L194 F199 F303 V304 V307 | R105-L191 PolarHBondContact NH2-O 3.23Å; E185-L191 VanDerWaalsContact O-CD1 3.24Å; E185-L191 WeakPolarHBondContact O-CD1 3.31Å; K188-L191 PolarHBondContact O-N 3.47Å; K189-L191 PolarHBondContact O-N 2.92Å; K189-L191 VanDerWaalsContact O-N 3.15Å; L191-Y193 PolarHBondContact O-N 2.82Å; L191-L194 HydrophobicContact CB-CD1 4.24Å; L191-L194 HydrophobicContact CD2-CD1 3.85Å; L191-L194 WeakPolarHBondContact O-CB 3.32Å; L191-L194 PolarHBondContact O-N 3.05Å; L191-L194 VanDerWaalsContact O-N 3.08Å; L191-F199 HydrophobicContact CB-CZ 4.37Å; L191-F199 HydrophobicContact CD1-CZ 4.47Å; L191-F303 HydrophobicContact CD1-CB 4.08Å; L191-F303 HydrophobicContact CD2-CB 4.43Å; L191-V304 HydrophobicContact CD1-CG2 3.74Å; L191-V304 HydrophobicContact CG-CG2 4.35Å; L191-V307 HydrophobicContact CD2-CB 4.15Å; L191-V307 HydrophobicContact CD2-CG2 3.64Å |
| 192 | Q | 93.8 | Very high | 95.7 | Very high | 131 Ų | 131 | 45.7 Ų | 45.7 | 61% | 0.612 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.4 | -174.2 | -73.9 | 178.7 | -9.4 | 0 | 0 | 113.7 | K189 L194 | K189-Q192 WeakPolarHBondContact O-CB 3.44Å; K189-Q192 WeakPolarHBondContact O-CG 3.19Å; K189-Q192 PolarHBondContact O-N 2.8Å; K189-Q192 VanDerWaalsContact O-N 3.11Å; Q192-L194 PolarHBondContact O-N 3.49Å |
| 193 | Y | 95.4 | Very high | 96 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 28% | 0.282 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -14.8 | 175.8 | 71 | -94.9 | 0 | 0 | 0 | 113 | K190 L191 V307 L361 H363 | K190-Y193 VanDerWaalsContact O-CD1 3.31Å; K190-Y193 WeakPolarHBondContact O-CD1 3.37Å; K190-Y193 WeakPolarHBondContact O-CE1 3.24Å; L191-Y193 PolarHBondContact O-N 2.82Å; Y193-V307 WeakPolarHBondContact OH-CG2 3.31Å; Y193-L361 VanDerWaalsContact CE2-O 3.26Å; Y193-L361 WeakPolarHBondContact CE2-O 3.18Å; Y193-L361 PolarHBondContact OH-O 2.94Å; Y193-H363 HydrophobicContact CD2-CB 4.01Å; Y193-H363 AromaticContact CD2-CG 3.93Å; Y193-H363 AromaticContact CD2-ND1 3.85Å; Y193-H363 HydrophobicContact CE2-CB 4.13Å |
| 194 | L | 97 | Very high | 96.1 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -86.9 | 135.9 | -177.9 | -61.4 | 167.6 | 0 | 0 | 0 | 111.5 | R105 L191 Q192 D198 F199 L361 | R105-L194 PolarHBondContact NE-O 3.2Å; L191-L194 HydrophobicContact CB-CD1 4.24Å; L191-L194 HydrophobicContact CD2-CD1 3.85Å; L191-L194 WeakPolarHBondContact O-CB 3.32Å; L191-L194 PolarHBondContact O-N 3.05Å; L191-L194 VanDerWaalsContact O-N 3.08Å; Q192-L194 PolarHBondContact O-N 3.49Å; L194-D198 HydrophobicContact CB-CB 4.38Å; L194-D198 HydrophobicContact CD2-CB 4.13Å; L194-F199 HydrophobicContact CB-CE2 3.73Å; L194-F199 HydrophobicContact CB-CZ 3.93Å; L194-F199 HydrophobicContact CD1-CE1 4.14Å; L194-F199 HydrophobicContact CD1-CE2 4.36Å; L194-F199 HydrophobicContact CD1-CZ 3.71Å; L194-L361 HydrophobicContact CD1-CD2 3.47Å; L194-L361 VanDerWaalsContact CD1-CD2 3.47Å; L194-L361 HydrophobicContact CD2-CB 4.41Å; L194-L361 HydrophobicContact CD2-CD2 3.83Å; L194-L361 HydrophobicContact CG-CD2 4.29Å | ||
| 195 | S | 96.6 | Very high | 96 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | trans | -82.3 | 171.4 | 175.1 | 69.9 | 0 | 0 | 0 | 0 | 112.3 | G197 D198 F199 | S195-G197 VanDerWaalsContact C-N 3.31Å; S195-G197 PolarHBondContact OG-N 2.92Å; S195-D198 WeakPolarHBondContact CB-OD2 3.39Å; S195-D198 PolarHBondContact N-OD2 2.87Å; S195-D198 PolarHBondContact O-N 3.46Å; S195-D198 VanDerWaalsContact OG-CG 3.26Å; S195-D198 PolarHBondContact OG-N 2.9Å; S195-D198 PolarHBondContact OG-OD2 3.42Å; S195-F199 WeakPolarHBondContact O-CD2 3.42Å | ||
| 196 | F | 96.9 | Very high | 96 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 168.1 | 168.3 | -110.8 | 0 | 0 | 0 | 111.3 | F99 E101 V104 L108 D172 I176 D198 F199 A200 | F99-F196 HydrophobicContact CE2-CD1 4.39Å; F99-F196 AromaticContact CE2-CE1 3.93Å; F99-F196 HydrophobicContact CE2-CE1 3.93Å; F99-F196 HydrophobicContact CE2-CZ 4.37Å; F99-F196 HydrophobicContact CZ-CE1 4.11Å; F99-F196 HydrophobicContact CZ-CZ 4.31Å; E101-F196 HydrophobicContact CB-CB 4.2Å; E101-F196 HydrophobicContact CG-CB 4.41Å; E101-F196 HydrophobicContact CG-CD1 4.09Å; V104-F196 HydrophobicContact CB-CD2 4.24Å; V104-F196 HydrophobicContact CB-CG 4.41Å; V104-F196 HydrophobicContact CG1-CD2 3.37Å; V104-F196 HydrophobicContact CG1-CE2 3.56Å; V104-F196 HydrophobicContact CG1-CG 4Å; V104-F196 HydrophobicContact CG1-CZ 4.32Å; L108-F196 HydrophobicContact CD1-CD2 4.47Å; L108-F196 HydrophobicContact CD1-CE2 4.29Å; L108-F196 HydrophobicContact CD2-CD2 4.23Å; D172-F196 HydrophobicContact CB-CE1 3.94Å; D172-F196 HydrophobicContact CB-CZ 3.95Å; I176-F196 HydrophobicContact CD1-CE2 4.32Å; I176-F196 HydrophobicContact CD1-CZ 4.19Å; I176-F196 HydrophobicContact CG1-CE2 3.77Å; I176-F196 HydrophobicContact CG1-CZ 3.99Å; F196-D198 PolarHBondContact O-N 3.35Å; F196-F199 PolarHBondContact O-N 3.41Å; F196-A200 HydrophobicContact CE1-CB 4.09Å; F196-A200 HydrophobicContact CE2-CB 4.16Å; F196-A200 HydrophobicContact CZ-CB 3.88Å; F196-A200 WeakPolarHBondContact O-CB 3.07Å; F196-A200 PolarHBondContact O-N 3.48Å |
| 197 | G | 97.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 42 Ų | 42 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.6 | -34.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S195 A200 F201 | S195-G197 VanDerWaalsContact C-N 3.31Å; S195-G197 PolarHBondContact OG-N 2.92Å; G197-A200 PolarHBondContact O-N 3.49Å; G197-F201 WeakPolarHBondContact O-CB 3.33Å; G197-F201 PolarHBondContact O-N 3.33Å |
| 198 | D | 97.8 | Very high | 95.7 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 174.9 | -61.8 | -57.2 | 0 | 0 | 0 | 111.8 | L194 S195 F196 C202 R360 H363 | L194-D198 HydrophobicContact CB-CB 4.38Å; L194-D198 HydrophobicContact CD2-CB 4.13Å; S195-D198 WeakPolarHBondContact CB-OD2 3.39Å; S195-D198 PolarHBondContact N-OD2 2.87Å; S195-D198 PolarHBondContact O-N 3.46Å; S195-D198 VanDerWaalsContact OG-CG 3.26Å; S195-D198 PolarHBondContact OG-N 2.9Å; S195-D198 PolarHBondContact OG-OD2 3.42Å; F196-D198 PolarHBondContact O-N 3.35Å; D198-C202 PolarHBondContact O-N 3.4Å; D198-C202 PolarHBondContact O-SG 2.8Å; D198-R360 HydrophobicContact CB-CG 3.99Å; D198-R360 WeakPolarHBondContact OD1-CD 3.1Å; D198-H363 IonicContact OD1-CE1 3.5Å; D198-H363 IonicContact OD1-NE2 3.41Å; D198-H363 PolarHBondContact OD1-NE2 3.26Å; D198-H363 VanDerWaalsContact OD1-NE2 3.11Å; D198-H363 IonicContact OD2-CE1 2.75Å; D198-H363 PolarHBondContact OD2-CE1 3.06Å; D198-H363 VanDerWaalsContact OD2-CE1 3.22Å; D198-H363 IonicContact OD2-NE2 3.86Å; D198-H363 PolarHBondContact OD2-NE2 2.87Å |
| 199 | F | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70 | -40.2 | 176.5 | -70.2 | -65.1 | 0 | 0 | 0 | 112.5 | L108 F179 T186 L191 L194 S195 F196 F201 C202 A203 F303 | L108-F199 HydrophobicContact CD2-CB 3.68Å; L108-F199 HydrophobicContact CD2-CD2 3.87Å; L108-F199 HydrophobicContact CD2-CG 3.86Å; F179-F199 HydrophobicContact CE1-CB 4.04Å; F179-F199 AromaticContact CE1-CD1 3.69Å; F179-F199 HydrophobicContact CE1-CD1 3.69Å; F179-F199 HydrophobicContact CE1-CE1 4.48Å; F179-F199 HydrophobicContact CE1-CG 4.05Å; F179-F199 HydrophobicContact CE2-CB 4.38Å; F179-F199 HydrophobicContact CZ-CB 3.71Å; F179-F199 AromaticContact CZ-CD1 3.73Å; F179-F199 HydrophobicContact CZ-CD1 3.73Å; F179-F199 HydrophobicContact CZ-CG 4.09Å; T186-F199 HydrophobicContact CG2-CD1 4.41Å; T186-F199 HydrophobicContact CG2-CE1 4.18Å; T186-F199 HydrophobicContact CG2-CZ 4.27Å; L191-F199 HydrophobicContact CB-CZ 4.37Å; L191-F199 HydrophobicContact CD1-CZ 4.47Å; L194-F199 HydrophobicContact CB-CE2 3.73Å; L194-F199 HydrophobicContact CB-CZ 3.93Å; L194-F199 HydrophobicContact CD1-CE1 4.14Å; L194-F199 HydrophobicContact CD1-CE2 4.36Å; L194-F199 HydrophobicContact CD1-CZ 3.71Å; S195-F199 WeakPolarHBondContact O-CD2 3.42Å; F196-F199 PolarHBondContact O-N 3.41Å; F199-F201 VanDerWaalsContact C-N 3.32Å; F199-F201 PolarHBondContact O-N 3.41Å; F199-C202 PolarHBondContact O-N 2.92Å; F199-A203 WeakPolarHBondContact O-CB 3.25Å; F199-A203 PolarHBondContact O-N 3.17Å; F199-F303 HydrophobicContact CD1-CD1 4.14Å; F199-F303 HydrophobicContact CD1-CD2 4.41Å; F199-F303 HydrophobicContact CD1-CE1 4.19Å; F199-F303 HydrophobicContact CD1-CE2 4.45Å; F199-F303 HydrophobicContact CD1-CG 4.27Å; F199-F303 HydrophobicContact CD1-CZ 4.35Å; F199-F303 HydrophobicContact CE1-CB 4.22Å; F199-F303 HydrophobicContact CE1-CD1 4.01Å; F199-F303 HydrophobicContact CE1-CD2 4.3Å; F199-F303 AromaticContact CE1-CG 3.9Å; F199-F303 HydrophobicContact CE1-CG 3.9Å |
| 200 | A | 97.6 | Very high | 95.5 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | A175 F196 G197 C202 A203 E204 | A175-A200 HydrophobicContact CB-CB 4.02Å; F196-A200 HydrophobicContact CE1-CB 4.09Å; F196-A200 HydrophobicContact CE2-CB 4.16Å; F196-A200 HydrophobicContact CZ-CB 3.88Å; F196-A200 WeakPolarHBondContact O-CB 3.07Å; F196-A200 PolarHBondContact O-N 3.48Å; G197-A200 PolarHBondContact O-N 3.49Å; A200-C202 PolarHBondContact O-N 3.22Å; A200-A203 WeakPolarHBondContact O-CB 3.37Å; A200-A203 PolarHBondContact O-N 2.97Å; A200-E204 PolarHBondContact O-N 3.03Å |
| 201 | F | 97.8 | Very high | 95.3 | Very high | 62 Ų | 62 | 30.5 Ų | 30.5 | 27% | 0.272 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 173.6 | 179.1 | -91 | 0 | 0 | 0 | 112.2 | G197 F199 E204 L205 R360 | G197-F201 WeakPolarHBondContact O-CB 3.33Å; G197-F201 PolarHBondContact O-N 3.33Å; F199-F201 VanDerWaalsContact C-N 3.32Å; F199-F201 PolarHBondContact O-N 3.41Å; F201-E204 PolarHBondContact O-N 3.34Å; F201-L205 HydrophobicContact CD1-CD1 4.1Å; F201-L205 HydrophobicContact CE1-CD1 3.49Å; F201-L205 VanDerWaalsContact CE1-CD1 3.49Å; F201-L205 HydrophobicContact CE1-CG 4.28Å; F201-L205 HydrophobicContact CZ-CD1 3.96Å; F201-L205 HydrophobicContact CZ-CG 4.49Å; F201-L205 PolarHBondContact O-N 2.91Å; F201-R360 HydrophobicContact CB-CG 4.12Å; F201-R360 HydrophobicContact CD1-CB 3.58Å; F201-R360 HydrophobicContact CD1-CG 3.62Å; F201-R360 HydrophobicContact CE1-CB 3.91Å; F201-R360 HydrophobicContact CE1-CG 4.39Å; F201-R360 HydrophobicContact CG-CB 4.5Å; F201-R360 HydrophobicContact CG-CG 4.1Å |
| 202 | C | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 176.5 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | D198 F199 A200 E204 L205 M206 F303 C357 | D198-C202 PolarHBondContact O-N 3.4Å; D198-C202 PolarHBondContact O-SG 2.8Å; F199-C202 PolarHBondContact O-N 2.92Å; A200-C202 PolarHBondContact O-N 3.22Å; C202-E204 VanDerWaalsContact C-N 3.33Å; C202-E204 PolarHBondContact O-N 3.02Å; C202-L205 PolarHBondContact O-N 3.46Å; C202-M206 WeakPolarHBondContact O-CB 3.17Å; C202-M206 VanDerWaalsContact O-CG 3.23Å; C202-M206 WeakPolarHBondContact O-CG 3.06Å; C202-M206 PolarHBondContact O-N 3.5Å; C202-F303 HydrophobicContact CB-CE1 3.56Å; C202-F303 HydrophobicContact CB-CZ 3.82Å; C202-C357 HydrophobicContact CB-CB 4.36Å |
| 203 | A | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A175 F178 F179 F199 A200 L205 M206 I207 | A175-A203 HydrophobicContact CB-CB 3.5Å; F178-A203 HydrophobicContact CD1-CB 4.11Å; F179-A203 HydrophobicContact CD2-CB 4.01Å; F179-A203 HydrophobicContact CE2-CB 3.63Å; F199-A203 WeakPolarHBondContact O-CB 3.25Å; F199-A203 PolarHBondContact O-N 3.17Å; A200-A203 WeakPolarHBondContact O-CB 3.37Å; A200-A203 PolarHBondContact O-N 2.97Å; A203-L205 PolarHBondContact O-N 3.43Å; A203-M206 CarbonylContact O-C 3.6Å; A203-M206 PolarHBondContact O-N 3.28Å; A203-M206 VanDerWaalsContact O-N 3.15Å; A203-I207 HydrophobicContact CB-CD1 4.47Å; A203-I207 WeakPolarHBondContact O-CB 3.42Å; A203-I207 WeakPolarHBondContact O-CG1 3.31Å; A203-I207 PolarHBondContact O-N 3.4Å |
| 204 | E | 94.8 | Very high | 90.8 | Very high | 63 Ų | 63 | 28 Ų | 28 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 179.8 | 179.7 | 170.9 | -155.4 | 0 | 0 | 111.5 | R171 A200 F201 C202 M206 I207 Q208 | R171-E204 IonicContact CZ-OE1 3.18Å; R171-E204 IonicContact NH1-OE1 3.06Å; R171-E204 PolarHBondContact NH1-OE1 3.38Å; A200-E204 PolarHBondContact O-N 3.03Å; F201-E204 PolarHBondContact O-N 3.34Å; C202-E204 VanDerWaalsContact C-N 3.33Å; C202-E204 PolarHBondContact O-N 3.02Å; E204-M206 VanDerWaalsContact C-N 3.32Å; E204-M206 PolarHBondContact O-N 2.8Å; E204-I207 PolarHBondContact O-N 2.86Å; E204-Q208 VanDerWaalsContact CG-NE2 3.32Å; E204-Q208 WeakPolarHBondContact O-CB 3.46Å; E204-Q208 VanDerWaalsContact O-CG 3.25Å; E204-Q208 WeakPolarHBondContact O-CG 3.19Å; E204-Q208 PolarHBondContact O-N 3.26Å; E204-Q208 PolarHBondContact OE1-NE2 2.87Å |
| 205 | L | 95.3 | Very high | 88.3 | Confident | 32 Ų | 32 | 31.5 Ų | 31.5 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -41 | 175.9 | -67.5 | 178 | 0 | 0 | 0 | 112 | F201 C202 A203 Q208 N209 T353 | F201-L205 HydrophobicContact CD1-CD1 4.1Å; F201-L205 HydrophobicContact CE1-CD1 3.49Å; F201-L205 VanDerWaalsContact CE1-CD1 3.49Å; F201-L205 HydrophobicContact CE1-CG 4.28Å; F201-L205 HydrophobicContact CZ-CD1 3.96Å; F201-L205 HydrophobicContact CZ-CG 4.49Å; F201-L205 PolarHBondContact O-N 2.91Å; C202-L205 PolarHBondContact O-N 3.46Å; A203-L205 PolarHBondContact O-N 3.43Å; L205-Q208 PolarHBondContact O-N 3.36Å; L205-N209 WeakPolarHBondContact O-CB 3.4Å; L205-N209 PolarHBondContact O-N 2.87Å; L205-N209 VanDerWaalsContact O-N 3.11Å; L205-N209 PolarHBondContact O-ND2 3.21Å; L205-T353 HydrophobicContact CB-CG2 3.98Å |
| 206 | M | 95.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.4 | -39.2 | 179.3 | -68.4 | 172.7 | 70.6 | 0 | 0 | 112.2 | F178 F184 C202 A203 E204 Q208 N209 W210 L233 L302 F303 T353 | F178-M206 HydrophobicContact CE1-CB 3.83Å; F178-M206 HydrophobicContact CE1-CE 4.1Å; F178-M206 HydrophobicContact CE1-SD 4.3Å; F178-M206 HydrophobicContact CZ-CB 3.87Å; F178-M206 HydrophobicContact CZ-CE 4.2Å; F184-M206 HydrophobicContact CE1-CE 3.96Å; F184-M206 HydrophobicContact CE2-CE 4.23Å; F184-M206 HydrophobicContact CZ-CE 3.45Å; F184-M206 VanDerWaalsContact CZ-CE 3.45Å; C202-M206 WeakPolarHBondContact O-CB 3.17Å; C202-M206 VanDerWaalsContact O-CG 3.23Å; C202-M206 WeakPolarHBondContact O-CG 3.06Å; C202-M206 PolarHBondContact O-N 3.5Å; A203-M206 CarbonylContact O-C 3.6Å; A203-M206 PolarHBondContact O-N 3.28Å; A203-M206 VanDerWaalsContact O-N 3.15Å; E204-M206 VanDerWaalsContact C-N 3.32Å; E204-M206 PolarHBondContact O-N 2.8Å; M206-Q208 VanDerWaalsContact C-N 3.32Å; M206-N209 PolarHBondContact O-N 3.09Å; M206-W210 HydrophobicContact CE-CE3 3.65Å; M206-W210 HydrophobicContact CE-CZ3 3.73Å; M206-W210 HydrophobicContact CG-CD2 4.4Å; M206-W210 HydrophobicContact CG-CE3 4.14Å; M206-W210 HydrophobicContact CG-CZ3 4.47Å; M206-W210 WeakPolarHBondContact O-CA 3.33Å; M206-W210 VanDerWaalsContact O-CB 3.32Å; M206-W210 WeakPolarHBondContact O-CB 3.2Å; M206-W210 PolarHBondContact O-N 3.27Å; M206-L233 HydrophobicContact CE-CD2 4.24Å; M206-L302 HydrophobicContact CE-CD2 3.52Å; M206-L302 HydrophobicContact SD-CD2 4.05Å; M206-F303 HydrophobicContact SD-CZ 4.03Å; M206-T353 HydrophobicContact CG-CG2 3.93Å |
| 207 | I | 92.6 | Very high | 82.9 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 174.6 | -67.9 | 162.7 | 0 | 0 | 0 | 109.9 | A174 F178 A203 E204 N209 T211 | A174-I207 HydrophobicContact CB-CD1 4.46Å; F178-I207 HydrophobicContact CB-CD1 3.82Å; F178-I207 HydrophobicContact CB-CG1 4.15Å; F178-I207 HydrophobicContact CD1-CD1 4.39Å; F178-I207 HydrophobicContact CD1-CG1 4.14Å; F178-I207 HydrophobicContact CD2-CD1 4.32Å; F178-I207 HydrophobicContact CD2-CG1 3.7Å; F178-I207 HydrophobicContact CE1-CG1 4.46Å; F178-I207 HydrophobicContact CE2-CG1 4.06Å; F178-I207 HydrophobicContact CG-CD1 3.95Å; F178-I207 HydrophobicContact CG-CG1 3.74Å; F178-I207 HydrophobicContact CZ-CG1 4.42Å; A203-I207 HydrophobicContact CB-CD1 4.47Å; A203-I207 WeakPolarHBondContact O-CB 3.42Å; A203-I207 WeakPolarHBondContact O-CG1 3.31Å; A203-I207 PolarHBondContact O-N 3.4Å; E204-I207 PolarHBondContact O-N 2.86Å; I207-N209 VanDerWaalsContact C-N 3.33Å; I207-N209 PolarHBondContact O-N 3.25Å; I207-T211 PolarHBondContact O-OG1 3.44Å |
| 208 | Q | 89.9 | Confident | 80.1 | Confident | 89 Ų | 89 | 43.1 Ų | 43.1 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.1 | -23 | -179 | -74.3 | 173 | 6.2 | 0 | 0 | 114.2 | E204 L205 M206 A214 | E204-Q208 VanDerWaalsContact CG-NE2 3.32Å; E204-Q208 WeakPolarHBondContact O-CB 3.46Å; E204-Q208 VanDerWaalsContact O-CG 3.25Å; E204-Q208 WeakPolarHBondContact O-CG 3.19Å; E204-Q208 PolarHBondContact O-N 3.26Å; E204-Q208 PolarHBondContact OE1-NE2 2.87Å; L205-Q208 PolarHBondContact O-N 3.36Å; M206-Q208 VanDerWaalsContact C-N 3.32Å; Q208-A214 VanDerWaalsContact C-CB 3.47Å; Q208-A214 VanDerWaalsContact O-CA 3.23Å; Q208-A214 WeakPolarHBondContact O-CA 3.21Å; Q208-A214 WeakPolarHBondContact O-CB 3.43Å |
| 209 | N | 91.8 | Very high | 77.4 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -124.9 | -24.6 | -168.8 | -64.7 | -74.6 | 0 | 0 | 0 | 114 | L205 M206 I207 A214 R349 T353 | L205-N209 WeakPolarHBondContact O-CB 3.4Å; L205-N209 PolarHBondContact O-N 2.87Å; L205-N209 VanDerWaalsContact O-N 3.11Å; L205-N209 PolarHBondContact O-ND2 3.21Å; M206-N209 PolarHBondContact O-N 3.09Å; I207-N209 VanDerWaalsContact C-N 3.33Å; I207-N209 PolarHBondContact O-N 3.25Å; N209-A214 VanDerWaalsContact C-CB 3.44Å; N209-R349 PolarHBondContact O-NE 3.47Å; N209-R349 PolarHBondContact O-NH2 2.74Å; N209-T353 WeakPolarHBondContact CB-OG1 2.87Å |
| 210 | W | 92.8 | Very high | 74.9 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.011 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -117.5 | 1.9 | -170.5 | -66.4 | 5 | 0 | 0 | 0 | 113.7 | M206 L233 D234 F237 L293 L302 R349 Y350 T353 L354 | M206-W210 HydrophobicContact CE-CE3 3.65Å; M206-W210 HydrophobicContact CE-CZ3 3.73Å; M206-W210 HydrophobicContact CG-CD2 4.4Å; M206-W210 HydrophobicContact CG-CE3 4.14Å; M206-W210 HydrophobicContact CG-CZ3 4.47Å; M206-W210 WeakPolarHBondContact O-CA 3.33Å; M206-W210 VanDerWaalsContact O-CB 3.32Å; M206-W210 WeakPolarHBondContact O-CB 3.2Å; M206-W210 PolarHBondContact O-N 3.27Å; W210-L233 HydrophobicContact CB-CD2 3.8Å; W210-L233 HydrophobicContact CE3-CD2 4.18Å; W210-L233 WeakPolarHBondContact O-CA 3.33Å; W210-D234 WeakPolarHBondContact O-CB 3.34Å; W210-D234 PolarHBondContact O-N 2.8Å; W210-F237 HydrophobicContact CB-CD1 4.41Å; W210-F237 HydrophobicContact CB-CE1 4.12Å; W210-F237 AromaticContact CD1-CE1 3.43Å; W210-F237 VanDerWaalsContact CD1-CE1 3.43Å; W210-F237 AromaticContact CD1-CZ 3.75Å; W210-F237 AromaticContact CD2-CE1 3.86Å; W210-F237 HydrophobicContact CD2-CE1 3.86Å; W210-F237 AromaticContact CE2-CE1 3.97Å; W210-F237 HydrophobicContact CG-CD1 4.32Å; W210-F237 AromaticContact CG-CE1 3.57Å; W210-F237 HydrophobicContact CG-CE1 3.57Å; W210-F237 HydrophobicContact CG-CZ 4.32Å; W210-F237 AromaticContact NE1-CE1 3.68Å; W210-F237 AromaticContact NE1-CZ 3.68Å; W210-L293 HydrophobicContact CH2-CD1 4.08Å; W210-L293 HydrophobicContact CZ3-CD1 3.94Å; W210-L302 HydrophobicContact CH2-CD2 4.39Å; W210-L302 HydrophobicContact CZ3-CD2 3.87Å; W210-R349 PolarHBondContact NE1-O 3.37Å; W210-Y350 HydrophobicContact CH2-CD2 4.14Å; W210-Y350 AromaticContact CH2-CE2 3.94Å; W210-Y350 HydrophobicContact CH2-CE2 3.94Å; W210-Y350 AromaticContact CZ2-CD2 3.61Å; W210-Y350 HydrophobicContact CZ2-CD2 3.61Å; W210-Y350 AromaticContact CZ2-CE2 3.86Å; W210-Y350 HydrophobicContact CZ2-CE2 3.86Å; W210-T353 HydrophobicContact CD2-CG2 4.19Å; W210-T353 HydrophobicContact CG-CG2 4.44Å; W210-T353 HydrophobicContact CZ2-CG2 3.96Å; W210-T353 VanDerWaalsContact NE1-CB 3.28Å; W210-T353 PolarHBondContact NE1-OG1 2.92Å; W210-T353 VanDerWaalsContact NE1-OG1 3.07Å; W210-L354 HydrophobicContact CH2-CD1 4.31Å |
| 211 | T | 88.9 | Confident | 72.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -97.6 | 170.8 | 170.6 | 66 | 0 | 0 | 0 | 0 | 109.9 | F178 I207 G213 A214 D230 R349 | F178-T211 HydrophobicContact CE2-CG2 4.04Å; I207-T211 PolarHBondContact O-OG1 3.44Å; T211-G213 VanDerWaalsContact C-N 3.34Å; T211-G213 PolarHBondContact O-N 2.89Å; T211-A214 WeakPolarHBondContact O-CB 3.47Å; T211-A214 PolarHBondContact O-N 2.87Å; T211-D230 WeakPolarHBondContact CG2-O 3.4Å; T211-R349 PolarHBondContact O-NH2 3.28Å |
| 212 | L | 72.4 | Confident | 69.9 | Low | 74 Ų | 74 | 62.9 Ų | 62.9 | 39% | 0.387 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -67.7 | -30.6 | -178.1 | -68.5 | 165.2 | 0 | 0 | 0 | 112.9 | A214 D234 | L212-A214 VanDerWaalsContact C-N 3.25Å; L212-A214 PolarHBondContact O-N 3.15Å; L212-D234 HydrophobicContact CD2-CB 4.02Å; L212-D234 HydrophobicContact CG-CB 4.32Å |
| 213 | G | 62.9 | Low | 67.2 | Low | 52 Ų | 52 | 70.3 Ų | 70.3 | 54% | 0.536 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -78.9 | 0.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T211 V215 D230 | T211-G213 VanDerWaalsContact C-N 3.34Å; T211-G213 PolarHBondContact O-N 2.89Å; G213-V215 VanDerWaalsContact C-N 3.26Å; G213-V215 PolarHBondContact O-N 2.93Å; G213-D230 WeakPolarHBondContact CA-OD1 3.27Å; G213-D230 PolarHBondContact N-OD1 2.94Å |
| 214 | A | 56.5 | Low | 64.8 | Low | 25 Ų | 25 | 74.1 Ų | 74.1 | 21% | 0.207 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -69.5 | -12.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q208 N209 T211 L212 | Q208-A214 VanDerWaalsContact C-CB 3.47Å; Q208-A214 VanDerWaalsContact O-CA 3.23Å; Q208-A214 WeakPolarHBondContact O-CA 3.21Å; Q208-A214 WeakPolarHBondContact O-CB 3.43Å; N209-A214 VanDerWaalsContact C-CB 3.44Å; T211-A214 WeakPolarHBondContact O-CB 3.47Å; T211-A214 PolarHBondContact O-N 2.87Å; L212-A214 VanDerWaalsContact C-N 3.25Å; L212-A214 PolarHBondContact O-N 3.15Å |
| 215 | V | 44.4 | Very low | 62.4 | Low | 77 Ų | 77 | 75.8 Ų | 75.8 | 47% | 0.467 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -133.1 | 128.8 | -174.7 | -165.6 | 0 | 0 | 0 | 0 | 108.7 | G213 E217 | G213-V215 VanDerWaalsContact C-N 3.26Å; G213-V215 PolarHBondContact O-N 2.93Å; V215-E217 HydrophobicContact CG1-CG 4.37Å; V215-E217 PolarHBondContact O-N 3.11Å |
| 216 | G | 43.5 | Very low | 59.8 | Low | 88 Ų | 88 | 81.2 Ų | 81.2 | 91% | 0.907 | 48% | 0.477 | S | S | * | . | trans | -65.6 | 33.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A218 | G216-A218 PolarHBondContact O-N 2.78Š| ||
| 217 | E | 37.3 | Very low | 57.5 | Low | 162 Ų | 162 | 87.5 Ų | 87.5 | 76% | 0.757 | 51% | 0.511 | S | S | * | . | trans | -85.7 | 92.6 | 161.9 | -68.1 | -172.2 | -179.1 | 0 | 0 | 107 | V215 P219 | V215-E217 HydrophobicContact CG1-CG 4.37Å; V215-E217 PolarHBondContact O-N 3.11Å; E217-P219 WeakPolarHBondContact O-CD 3.31Å | ||
| 218 | A | 37.6 | Very low | 55.5 | Low | 81 Ų | 81 | 89.2 Ų | 89.2 | 67% | 0.669 | 52% | 0.52 | S | S | * | . | trans | -51.3 | 127.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | G216 I220 | G216-A218 PolarHBondContact O-N 2.78Å; A218-I220 PolarHBondContact O-N 3.24Å; A218-I220 VanDerWaalsContact O-N 3.09Å | ||
| 219 | P | 41.4 | Very low | 53.9 | Low | 73 Ų | 73 | 87.5 Ų | 87.5 | 47% | 0.474 | 51% | 0.513 | S | S | . | . | trans | -56.6 | 122 | 178.8 | -22.4 | 31 | 0 | 0 | 0 | 109.3 | E217 D221 | E217-P219 WeakPolarHBondContact O-CD 3.31Å; P219-D221 PolarHBondContact O-N 3.47Å | ||
| 220 | I | 46.9 | Very low | 52.2 | Low | 165 Ų | 165 | 86.1 Ų | 86.1 | 85% | 0.846 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -68.3 | -15.9 | 174.4 | -64.9 | 174.6 | 0 | 0 | 0 | 110.4 | A218 | A218-I220 PolarHBondContact O-N 3.24Å; A218-I220 VanDerWaalsContact O-N 3.09Å |
| 221 | D | 43.6 | Very low | 50.8 | Low | 118 Ų | 118 | 86.3 Ų | 86.3 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | trans | -112.2 | 110.3 | 178.2 | -68.2 | -33.8 | 0 | 0 | 0 | 111.9 | P219 D223 S224 | P219-D221 PolarHBondContact O-N 3.47Å; D221-D223 PolarHBondContact O-N 3.25Å; D221-D223 VanDerWaalsContact O-N 3.09Å; D221-S224 PolarHBondContact O-N 3.27Å | ||
| 222 | L | 45.7 | Very low | 50.3 | Low | 141 Ų | 141 | 88.6 Ų | 88.6 | 74% | 0.738 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.1 | 177.1 | -81.8 | 129.3 | 0 | 0 | 0 | 114.4 | ||
| 223 | D | 41.5 | Very low | 51.1 | Low | 157 Ų | 157 | 85.7 Ų | 85.7 | 84% | 0.84 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -8.9 | -178.7 | -81.5 | -12 | 0 | 0 | 0 | 113.9 | D221 Q225 | D221-D223 PolarHBondContact O-N 3.25Å; D221-D223 VanDerWaalsContact O-N 3.09Å; D223-Q225 VanDerWaalsContact C-N 3.3Å; D223-Q225 PolarHBondContact O-N 3.08Å |
| 224 | S | 45.1 | Very low | 52.4 | Low | 79 Ų | 79 | 84 Ų | 84 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | trans | -84.3 | 2.3 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 113.7 | D221 M226 | D221-S224 PolarHBondContact O-N 3.27Å; S224-M226 PolarHBondContact O-N 3.31Å | ||
| 225 | Q | 45 | Very low | 54 | Low | 99 Ų | 99 | 90.2 Ų | 90.2 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 22.7 | -172.7 | -66.8 | -165.7 | -7 | 0 | 0 | 115.6 | R152 D223 | R152-Q225 PolarHBondContact NH1-O 3.22Å; R152-Q225 PolarHBondContact NH2-O 3.24Å; D223-Q225 VanDerWaalsContact C-N 3.3Å; D223-Q225 PolarHBondContact O-N 3.08Å |
| 226 | M | 41.9 | Very low | 56.3 | Low | 145 Ų | 145 | 93.4 Ų | 93.4 | 71% | 0.714 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -31.8 | -170.6 | -78.2 | -172.4 | 65.6 | 0 | 0 | 114.7 | R152 S224 | R152-M226 PolarHBondContact NH2-O 3.32Å; S224-M226 PolarHBondContact O-N 3.31Å |
| 227 | D | 46.2 | Very low | 58.7 | Low | 133 Ų | 133 | 89.5 Ų | 89.5 | 71% | 0.711 | 47% | 0.473 | S | S | * | . | trans | -136.8 | 22.7 | -165.9 | -66.9 | -33 | 0 | 0 | 0 | 116.6 | M229 | D227-M229 PolarHBondContact O-N 3.16Š| ||
| 228 | D | 50.5 | Low | 61.4 | Low | 59 Ų | 59 | 82.3 Ų | 82.3 | 32% | 0.316 | 44% | 0.439 | S | S | . | . | trans | -75.4 | 92 | -177.7 | -67 | -32.7 | 0 | 0 | 0 | 113.1 | ||||
| 229 | M | 55.1 | Low | 64.1 | Low | 54 Ų | 54 | 83 Ų | 83 | 27% | 0.266 | 43% | 0.429 | S | S | . | . | trans | -116.5 | 120.4 | 171.3 | -59.4 | -158.5 | -59.6 | 0 | 0 | 111.2 | D227 M231 D232 | D227-M229 PolarHBondContact O-N 3.16Å; M229-M231 HydrophobicContact CE-CE 4.48Å; M229-M231 PolarHBondContact O-N 3.34Å; M229-D232 PolarHBondContact O-N 3.25Å | ||
| 230 | D | 57.2 | Low | 66.7 | Low | 22 Ų | 22 | 83 Ų | 83 | 12% | 0.118 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 0.8 | 176 | -79.4 | -14.1 | 0 | 0 | 0 | 114.4 | G153 S154 L155 T211 G213 | G153-D230 VanDerWaalsContact O-OD2 3.11Å; S154-D230 WeakPolarHBondContact CA-OD2 3.4Å; S154-D230 PolarHBondContact N-OD2 2.93Å; L155-D230 HydrophobicContact CB-CB 4.4Å; T211-D230 WeakPolarHBondContact CG2-O 3.4Å; G213-D230 WeakPolarHBondContact CA-OD1 3.27Å; G213-D230 PolarHBondContact N-OD1 2.94Å |
| 231 | M | 62.4 | Low | 69.1 | Low | 8 Ų | 8 | 75.2 Ų | 75.2 | 4% | 0.039 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -23.9 | 172.5 | -56.4 | -157.3 | -44.7 | 0 | 0 | 113.3 | V148 E149 V177 N181 N182 M229 | V148-M231 HydrophobicContact CG2-SD 4.43Å; E149-M231 HydrophobicContact CB-CE 3.61Å; E149-M231 HydrophobicContact CB-SD 4.03Å; V177-M231 HydrophobicContact CG1-CG 4.34Å; V177-M231 HydrophobicContact CG1-SD 3.59Å; V177-M231 VanDerWaalsContact CG1-SD 3.59Å; N181-M231 PolarHBondContact ND2-O 2.81Å; N182-M231 PolarHBondContact ND2-O 3.21Å; M229-M231 HydrophobicContact CE-CE 4.48Å; M229-M231 PolarHBondContact O-N 3.34Å |
| 232 | D | 79.1 | Confident | 71.6 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -98.9 | 136.5 | -173.7 | -79.1 | -4.1 | 0 | 0 | 0 | 110.4 | N181 M229 | N181-D232 PolarHBondContact ND2-OD1 3.33Å; M229-D232 PolarHBondContact O-N 3.25Å |
| 233 | L | 88.6 | Confident | 74 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 137.3 | 168.1 | -67.4 | 167.6 | 0 | 0 | 0 | 109.3 | F178 F184 M206 W210 K235 L238 V299 | F178-L233 HydrophobicContact CE2-CD2 4.23Å; F178-L233 HydrophobicContact CZ-CD2 3.78Å; F178-L233 HydrophobicContact CZ-CG 4.34Å; F184-L233 HydrophobicContact CZ-CD1 4.31Å; M206-L233 HydrophobicContact CE-CD2 4.24Å; W210-L233 HydrophobicContact CB-CD2 3.8Å; W210-L233 HydrophobicContact CE3-CD2 4.18Å; W210-L233 WeakPolarHBondContact O-CA 3.33Å; L233-K235 PolarHBondContact O-N 3.03Å; L233-L238 HydrophobicContact CB-CD1 3.72Å; L233-L238 HydrophobicContact CB-CG 4.36Å; L233-L238 HydrophobicContact CD1-CD1 4Å; L233-L238 HydrophobicContact CG-CD1 4.46Å; L233-V299 HydrophobicContact CD1-CG1 3.5Å; L233-V299 HydrophobicContact CD1-CG2 4.4Å |
| 234 | D | 91.1 | Very high | 76.6 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | trans | -60 | 103.2 | 174.5 | 175.8 | -9 | 0 | 0 | 0 | 109.4 | W210 L212 E236 F237 L238 R349 | W210-D234 WeakPolarHBondContact O-CB 3.34Å; W210-D234 PolarHBondContact O-N 2.8Å; L212-D234 HydrophobicContact CD2-CB 4.02Å; L212-D234 HydrophobicContact CG-CB 4.32Å; D234-E236 VanDerWaalsContact C-N 3.28Å; D234-E236 PolarHBondContact O-N 3.47Å; D234-E236 PolarHBondContact OD1-N 3.29Å; D234-E236 VanDerWaalsContact OD1-N 3.12Å; D234-F237 HydrophobicContact CB-CB 3.82Å; D234-F237 PolarHBondContact O-N 3.11Å; D234-F237 PolarHBondContact OD1-N 3.04Å; D234-F237 VanDerWaalsContact OD2-CB 3.3Å; D234-F237 WeakPolarHBondContact OD2-CB 3.1Å; D234-L238 WeakPolarHBondContact O-CG 3.3Å; D234-L238 PolarHBondContact O-N 3.39Å; D234-R349 IonicContact OD2-CZ 3.65Å; D234-R349 VanDerWaalsContact OD2-CZ 3.32Å; D234-R349 IonicContact OD2-NH1 2.84Å; D234-R349 PolarHBondContact OD2-NH1 3.28Å; D234-R349 IonicContact OD2-NH2 3.56Å; D234-R349 PolarHBondContact OD2-NH2 2.87Å | ||
| 235 | K | 90.1 | Very high | 79 | Confident | 156 Ų | 156 | 63.9 Ų | 63.9 | 68% | 0.678 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.3 | -30.7 | -174 | -68.3 | 176.1 | -174.6 | 152.3 | 0 | 112.2 | L233 Q239 | L233-K235 PolarHBondContact O-N 3.03Å; K235-Q239 VanDerWaalsContact O-CB 3.3Å; K235-Q239 WeakPolarHBondContact O-CB 3.34Å; K235-Q239 PolarHBondContact O-N 3.42Å |
| 236 | E | 91.6 | Very high | 81.5 | Confident | 145 Ų | 145 | 61.7 Ų | 61.7 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -69.7 | -49.8 | 177.2 | -175.6 | 170.7 | -166.4 | 0 | 0 | 109.4 | D234 L238 Q239 D240 | D234-E236 VanDerWaalsContact C-N 3.28Å; D234-E236 PolarHBondContact O-N 3.47Å; D234-E236 PolarHBondContact OD1-N 3.29Å; D234-E236 VanDerWaalsContact OD1-N 3.12Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 2.76Å; E236-Q239 WeakPolarHBondContact O-CA 3.36Å; E236-Q239 WeakPolarHBondContact O-CB 3.43Å; E236-Q239 PolarHBondContact O-N 3.15Å; E236-D240 PolarHBondContact O-N 2.8Å |
| 237 | F | 94.1 | Very high | 84.1 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.4 | -49.7 | 172.1 | 167.9 | -111.9 | 0 | 0 | 0 | 112.5 | W210 D234 Q239 D240 L241 L346 R349 | W210-F237 HydrophobicContact CB-CD1 4.41Å; W210-F237 HydrophobicContact CB-CE1 4.12Å; W210-F237 AromaticContact CD1-CE1 3.43Å; W210-F237 VanDerWaalsContact CD1-CE1 3.43Å; W210-F237 AromaticContact CD1-CZ 3.75Å; W210-F237 AromaticContact CD2-CE1 3.86Å; W210-F237 HydrophobicContact CD2-CE1 3.86Å; W210-F237 AromaticContact CE2-CE1 3.97Å; W210-F237 HydrophobicContact CG-CD1 4.32Å; W210-F237 AromaticContact CG-CE1 3.57Å; W210-F237 HydrophobicContact CG-CE1 3.57Å; W210-F237 HydrophobicContact CG-CZ 4.32Å; W210-F237 AromaticContact NE1-CE1 3.68Å; W210-F237 AromaticContact NE1-CZ 3.68Å; D234-F237 HydrophobicContact CB-CB 3.82Å; D234-F237 PolarHBondContact O-N 3.11Å; D234-F237 PolarHBondContact OD1-N 3.04Å; D234-F237 VanDerWaalsContact OD2-CB 3.3Å; D234-F237 WeakPolarHBondContact OD2-CB 3.1Å; F237-Q239 VanDerWaalsContact C-N 3.26Å; F237-Q239 PolarHBondContact O-N 3.46Å; F237-D240 PolarHBondContact O-N 2.93Å; F237-L241 HydrophobicContact CE1-CD1 4.23Å; F237-L241 HydrophobicContact CE2-CD2 3.82Å; F237-L241 HydrophobicContact CE2-CG 4.42Å; F237-L241 HydrophobicContact CZ-CD1 4.3Å; F237-L241 HydrophobicContact CZ-CD2 3.8Å; F237-L241 HydrophobicContact CZ-CG 4.3Å; F237-L241 WeakPolarHBondContact O-CG 3.23Å; F237-L241 PolarHBondContact O-N 3.37Å; F237-L346 HydrophobicContact CD2-CD1 3.62Å; F237-L346 HydrophobicContact CE2-CD1 3.67Å; F237-R349 HydrophobicContact CD2-CG 4.2Å; F237-R349 HydrophobicContact CE2-CB 3.9Å; F237-R349 HydrophobicContact CE2-CG 3.63Å; F237-R349 HydrophobicContact CZ-CB 4.4Å; F237-R349 HydrophobicContact CZ-CG 3.92Å |
| 238 | L | 94.8 | Very high | 86.5 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 178.9 | -68.6 | -172.1 | 0 | 0 | 0 | 111.9 | L233 D234 E236 L241 L293 T294 V299 | L233-L238 HydrophobicContact CB-CD1 3.72Å; L233-L238 HydrophobicContact CB-CG 4.36Å; L233-L238 HydrophobicContact CD1-CD1 4Å; L233-L238 HydrophobicContact CG-CD1 4.46Å; D234-L238 WeakPolarHBondContact O-CG 3.3Å; D234-L238 PolarHBondContact O-N 3.39Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 2.76Å; L238-L241 HydrophobicContact CD2-CD1 3.9Å; L238-L241 WeakPolarHBondContact O-CB 3.49Å; L238-L241 PolarHBondContact O-N 3.23Å; L238-L293 HydrophobicContact CD2-CB 3.98Å; L238-L293 HydrophobicContact CD2-CD1 4.25Å; L238-T294 VanDerWaalsContact O-CG2 3.23Å; L238-T294 WeakPolarHBondContact O-CG2 3.42Å; L238-V299 HydrophobicContact CD1-CG2 4.16Å |
| 239 | Q | 94.4 | Very high | 88.6 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 177.1 | -179.8 | 63.4 | 16.4 | 0 | 0 | 111.8 | K235 E236 F237 L241 K242 | K235-Q239 VanDerWaalsContact O-CB 3.3Å; K235-Q239 WeakPolarHBondContact O-CB 3.34Å; K235-Q239 PolarHBondContact O-N 3.42Å; E236-Q239 WeakPolarHBondContact O-CA 3.36Å; E236-Q239 WeakPolarHBondContact O-CB 3.43Å; E236-Q239 PolarHBondContact O-N 3.15Å; F237-Q239 VanDerWaalsContact C-N 3.26Å; F237-Q239 PolarHBondContact O-N 3.46Å; Q239-L241 VanDerWaalsContact C-N 3.26Å; Q239-L241 PolarHBondContact O-N 3.37Å; Q239-K242 PolarHBondContact O-N 2.98Å |
| 240 | D | 95.9 | Very high | 90.6 | Very high | 73 Ų | 73 | 51.1 Ų | 51.1 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -26.3 | 179.7 | -73 | -11.1 | 0 | 0 | 0 | 112.8 | E236 F237 K242 E243 L346 | E236-D240 PolarHBondContact O-N 2.8Å; F237-D240 PolarHBondContact O-N 2.93Å; D240-K242 PolarHBondContact O-N 2.98Å; D240-E243 VanDerWaalsContact O-CB 3.31Å; D240-E243 WeakPolarHBondContact O-CB 3.42Å; D240-E243 WeakPolarHBondContact O-CG 3.23Å; D240-E243 PolarHBondContact O-N 3.44Å; D240-L346 HydrophobicContact CB-CD1 3.81Å; D240-L346 HydrophobicContact CB-CD2 4.04Å; D240-L346 WeakPolarHBondContact O-CD2 3.44Å |
| 241 | L | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -54.5 | -20.3 | 176.3 | -67.6 | 178.6 | 0 | 0 | 0 | 114.1 | F237 L238 Q239 E243 L244 A290 L293 L346 Y350 | F237-L241 HydrophobicContact CE1-CD1 4.23Å; F237-L241 HydrophobicContact CE2-CD2 3.82Å; F237-L241 HydrophobicContact CE2-CG 4.42Å; F237-L241 HydrophobicContact CZ-CD1 4.3Å; F237-L241 HydrophobicContact CZ-CD2 3.8Å; F237-L241 HydrophobicContact CZ-CG 4.3Å; F237-L241 WeakPolarHBondContact O-CG 3.23Å; F237-L241 PolarHBondContact O-N 3.37Å; L238-L241 HydrophobicContact CD2-CD1 3.9Å; L238-L241 WeakPolarHBondContact O-CB 3.49Å; L238-L241 PolarHBondContact O-N 3.23Å; Q239-L241 VanDerWaalsContact C-N 3.26Å; Q239-L241 PolarHBondContact O-N 3.37Å; L241-E243 PolarHBondContact O-N 3.05Å; L241-L244 HydrophobicContact CD2-CD1 3.69Å; L241-L244 WeakPolarHBondContact O-CB 3.22Å; L241-L244 PolarHBondContact O-N 2.75Å; L241-A290 HydrophobicContact CB-CB 4.13Å; L241-A290 WeakPolarHBondContact CB-O 3.25Å; L241-A290 HydrophobicContact CD1-CB 4.37Å; L241-A290 HydrophobicContact CD2-CB 4.47Å; L241-L293 HydrophobicContact CD1-CB 4.33Å; L241-L293 HydrophobicContact CD1-CD1 3.85Å; L241-L346 HydrophobicContact CD2-CD1 3.97Å; L241-L346 HydrophobicContact CD2-CG 4.22Å; L241-Y350 HydrophobicContact CD1-CD2 4.05Å; L241-Y350 HydrophobicContact CD1-CE2 4.38Å; L241-Y350 HydrophobicContact CD2-CD2 3.81Å; L241-Y350 HydrophobicContact CD2-CG 3.84Å |
| 242 | K | 95.8 | Very high | 94 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -60.5 | -33 | 172.5 | -76.6 | 172.3 | 174 | 150.5 | 0 | 112.8 | Q239 D240 L244 K245 A291 T294 | Q239-K242 PolarHBondContact O-N 2.98Å; D240-K242 PolarHBondContact O-N 2.98Å; K242-L244 PolarHBondContact O-N 3.49Å; K242-K245 VanDerWaalsContact O-CB 3.28Å; K242-K245 WeakPolarHBondContact O-CB 3.29Å; K242-K245 PolarHBondContact O-N 3.26Å; K242-K245 VanDerWaalsContact O-N 3.11Å; K242-A291 HydrophobicContact CG-CB 4.47Å; K242-A291 WeakPolarHBondContact CG-O 3.45Å; K242-T294 HydrophobicContact CD-CG2 3.8Å; K242-T294 WeakPolarHBondContact CE-OG1 3.45Å; K242-T294 HydrophobicContact CG-CG2 3.91Å; K242-T294 VanDerWaalsContact NZ-CB 3.33Å; K242-T294 VanDerWaalsContact NZ-CG2 3.33Å; K242-T294 PolarHBondContact NZ-OG1 2.87Å |
| 243 | E | 96 | Very high | 94.8 | Very high | 104 Ų | 104 | 60.7 Ų | 60.7 | 49% | 0.486 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -64.6 | -26 | -179.5 | -60.4 | -54 | 131.3 | 0 | 0 | 112 | D240 L241 K245 V246 L346 | D240-E243 VanDerWaalsContact O-CB 3.31Å; D240-E243 WeakPolarHBondContact O-CB 3.42Å; D240-E243 WeakPolarHBondContact O-CG 3.23Å; D240-E243 PolarHBondContact O-N 3.44Å; L241-E243 PolarHBondContact O-N 3.05Å; E243-K245 PolarHBondContact O-N 3.46Å; E243-V246 WeakPolarHBondContact O-CG1 3.29Å; E243-V246 PolarHBondContact O-N 2.97Å; E243-L346 HydrophobicContact CB-CD2 4.46Å |
| 244 | L | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -61 | -19.4 | 175.3 | -57.2 | -176.9 | 0 | 0 | 0 | 113 | L241 K242 V246 L247 V287 A290 F341 H343 L346 W347 Y350 | L241-L244 HydrophobicContact CD2-CD1 3.69Å; L241-L244 WeakPolarHBondContact O-CB 3.22Å; L241-L244 PolarHBondContact O-N 2.75Å; K242-L244 PolarHBondContact O-N 3.49Å; L244-V246 PolarHBondContact O-N 2.8Å; L244-V246 VanDerWaalsContact O-N 3.09Å; L244-L247 WeakPolarHBondContact O-CB 3.28Å; L244-L247 PolarHBondContact O-N 3.41Å; L244-L247 VanDerWaalsContact O-N 3.11Å; L244-V287 HydrophobicContact CB-CG1 4.27Å; L244-V287 WeakPolarHBondContact O-CG1 3.38Å; L244-A290 HydrophobicContact CD1-CB 4.19Å; L244-F341 HydrophobicContact CD2-CE2 4.42Å; L244-F341 HydrophobicContact CD2-CZ 3.77Å; L244-H343 HydrophobicContact CD2-CB 3.99Å; L244-L346 HydrophobicContact CD2-CB 4.39Å; L244-L346 HydrophobicContact CD2-CD2 3.69Å; L244-L346 HydrophobicContact CD2-CG 3.99Å; L244-L346 HydrophobicContact CG-CD2 3.86Å; L244-L346 HydrophobicContact CG-CG 4.28Å; L244-W347 HydrophobicContact CD1-CE3 4.24Å; L244-W347 HydrophobicContact CD2-CB 4.25Å; L244-W347 HydrophobicContact CD2-CE3 4.19Å; L244-Y350 HydrophobicContact CD1-CD1 3.9Å; L244-Y350 HydrophobicContact CD1-CG 4.15Å |
| 245 | K | 96.3 | Very high | 95.5 | Very high | 89 Ų | 89 | 62 Ų | 62 | 39% | 0.387 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -55.7 | -26.2 | 176.2 | -83.3 | 178.7 | 159.7 | 163.5 | 0 | 113.5 | K242 E243 L247 V248 A249 V287 A291 | K242-K245 VanDerWaalsContact O-CB 3.28Å; K242-K245 WeakPolarHBondContact O-CB 3.29Å; K242-K245 PolarHBondContact O-N 3.26Å; K242-K245 VanDerWaalsContact O-N 3.11Å; E243-K245 PolarHBondContact O-N 3.46Å; K245-L247 PolarHBondContact O-N 3.1Å; K245-L247 VanDerWaalsContact O-N 3.16Å; K245-V248 WeakPolarHBondContact O-CG2 3.37Å; K245-V248 PolarHBondContact O-N 3.32Å; K245-A249 VanDerWaalsContact O-CB 3.27Å; K245-A249 WeakPolarHBondContact O-CB 3.43Å; K245-A249 PolarHBondContact O-N 3.09Å; K245-V287 HydrophobicContact CG-CG1 4.31Å; K245-A291 HydrophobicContact CD-CB 3.7Å; K245-A291 HydrophobicContact CG-CB 3.66Å |
| 246 | V | 95.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -52.8 | -36.6 | 177.2 | 71.4 | 0 | 0 | 0 | 0 | 111.9 | E243 L244 V248 D250 L253 F341 | E243-V246 WeakPolarHBondContact O-CG1 3.29Å; E243-V246 PolarHBondContact O-N 2.97Å; L244-V246 PolarHBondContact O-N 2.8Å; L244-V246 VanDerWaalsContact O-N 3.09Å; V246-V248 PolarHBondContact O-N 3.47Å; V246-D250 WeakPolarHBondContact O-CB 3.49Å; V246-D250 PolarHBondContact O-N 2.86Å; V246-D250 VanDerWaalsContact O-N 3.11Å; V246-L253 HydrophobicContact CG2-CD1 4.22Å; V246-F341 HydrophobicContact CG1-CD2 3.9Å; V246-F341 HydrophobicContact CG1-CE2 3.98Å |
| 247 | L | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -31 | -179.4 | -177.9 | 62.2 | 0 | 0 | 0 | 113.4 | L244 K245 L254 H257 V287 V335 L338 F341 W347 | L244-L247 WeakPolarHBondContact O-CB 3.28Å; L244-L247 PolarHBondContact O-N 3.41Å; L244-L247 VanDerWaalsContact O-N 3.11Å; K245-L247 PolarHBondContact O-N 3.1Å; K245-L247 VanDerWaalsContact O-N 3.16Å; L247-L254 WeakPolarHBondContact O-CB 3.41Å; L247-H257 HydrophobicContact CD1-CB 4.3Å; L247-V287 HydrophobicContact CD2-CG2 4.24Å; L247-V335 HydrophobicContact CD1-CG2 4.48Å; L247-V335 HydrophobicContact CD2-CG2 4.07Å; L247-L338 HydrophobicContact CD1-CD1 3.6Å; L247-F341 HydrophobicContact CB-CD2 4.23Å; L247-F341 HydrophobicContact CB-CE2 4Å; L247-F341 HydrophobicContact CD1-CD2 4.43Å; L247-W347 HydrophobicContact CD2-CE3 4.44Å; L247-W347 HydrophobicContact CD2-CH2 3.59Å; L247-W347 HydrophobicContact CD2-CZ2 4.29Å; L247-W347 HydrophobicContact CD2-CZ3 3.69Å |
| 248 | V | 96.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 11% | 0.109 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -112.2 | -16 | -176 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | K245 V246 L254 R284 V287 | K245-V248 WeakPolarHBondContact O-CG2 3.37Å; K245-V248 PolarHBondContact O-N 3.32Å; V246-V248 PolarHBondContact O-N 3.47Å; V248-L254 HydrophobicContact CG1-CD1 4.31Å; V248-R284 HydrophobicContact CB-CG 4.01Å; V248-R284 HydrophobicContact CG1-CG 4.28Å; V248-V287 HydrophobicContact CG1-CB 3.89Å; V248-V287 HydrophobicContact CG1-CG1 4.26Å; V248-V287 HydrophobicContact CG1-CG2 3.79Å; V248-V287 HydrophobicContact CG2-CB 4.05Å; V248-V287 HydrophobicContact CG2-CG1 3.71Å |
| 249 | A | 95.9 | Very high | 96.6 | Very high | 84 Ų | 84 | 56 Ų | 56 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -81.8 | -38.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K245 K251 | K245-A249 VanDerWaalsContact O-CB 3.27Å; K245-A249 WeakPolarHBondContact O-CB 3.43Å; K245-A249 PolarHBondContact O-N 3.09Å; A249-K251 PolarHBondContact O-N 2.87Å |
| 250 | D | 95.9 | Very high | 96.7 | Very high | 67 Ų | 67 | 54 Ų | 54 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -80.4 | 115.7 | 171.3 | -173.4 | -27.9 | 0 | 0 | 0 | 109.5 | V246 D252 L253 L254 | V246-D250 WeakPolarHBondContact O-CB 3.49Å; V246-D250 PolarHBondContact O-N 2.86Å; V246-D250 VanDerWaalsContact O-N 3.11Å; D250-D252 VanDerWaalsContact C-N 3.33Å; D250-D252 PolarHBondContact O-N 3.38Å; D250-D252 PolarHBondContact OD1-N 3.08Å; D250-L253 HydrophobicContact CB-CB 3.99Å; D250-L253 HydrophobicContact CB-CD1 3.91Å; D250-L253 HydrophobicContact CB-CG 4.03Å; D250-L253 PolarHBondContact OD1-N 3.26Å; D250-L254 WeakPolarHBondContact O-CB 3.19Å; D250-L254 PolarHBondContact O-N 2.88Å |
| 251 | K | 95.8 | Very high | 96.8 | Very high | 141 Ų | 141 | 50.5 Ų | 50.5 | 61% | 0.613 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.1 | -38.2 | -178 | -175.2 | -171 | 169 | -161.3 | 0 | 111.6 | A249 L254 D255 | A249-K251 PolarHBondContact O-N 2.87Å; K251-L254 PolarHBondContact O-N 3.39Å; K251-D255 WeakPolarHBondContact CE-OD2 3.38Å; K251-D255 WeakPolarHBondContact O-CB 3.39Å; K251-D255 PolarHBondContact O-N 3.41Å |
| 252 | D | 96 | Very high | 96.9 | Very high | 122 Ų | 122 | 50.8 Ų | 50.8 | 65% | 0.652 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -73.2 | -39.4 | -175.3 | -65.2 | -24 | 0 | 0 | 0 | 110.1 | D250 D255 L256 | D250-D252 VanDerWaalsContact C-N 3.33Å; D250-D252 PolarHBondContact O-N 3.38Å; D250-D252 PolarHBondContact OD1-N 3.08Å; D252-D255 PolarHBondContact O-N 2.83Å; D252-L256 VanDerWaalsContact O-CB 3.29Å; D252-L256 WeakPolarHBondContact O-CB 3.44Å; D252-L256 PolarHBondContact O-N 3.38Å |
| 253 | L | 95.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 171.2 | -71.7 | -179.6 | 0 | 0 | 0 | 112.1 | V246 D250 D255 L256 H257 | V246-L253 HydrophobicContact CG2-CD1 4.22Å; D250-L253 HydrophobicContact CB-CB 3.99Å; D250-L253 HydrophobicContact CB-CD1 3.91Å; D250-L253 HydrophobicContact CB-CG 4.03Å; D250-L253 PolarHBondContact OD1-N 3.26Å; L253-D255 VanDerWaalsContact C-N 3.35Å; L253-D255 PolarHBondContact O-N 2.99Å; L253-L256 PolarHBondContact O-N 2.95Å; L253-H257 WeakPolarHBondContact O-CB 3.49Å; L253-H257 PolarHBondContact O-N 3.48Å |
| 254 | L | 97.4 | Very high | 97 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 178.7 | -178.6 | 58.7 | 0 | 0 | 0 | 112.1 | L247 V248 D250 K251 K258 F279 K280 | L247-L254 WeakPolarHBondContact O-CB 3.41Å; V248-L254 HydrophobicContact CG1-CD1 4.31Å; D250-L254 WeakPolarHBondContact O-CB 3.19Å; D250-L254 PolarHBondContact O-N 2.88Å; K251-L254 PolarHBondContact O-N 3.39Å; L254-K258 WeakPolarHBondContact O-CB 3.28Å; L254-K258 PolarHBondContact O-N 2.87Å; L254-F279 HydrophobicContact CD1-CE1 4.09Å; L254-K280 HydrophobicContact CD2-CB 4.33Å; L254-K280 HydrophobicContact CD2-CD 4.31Å; L254-K280 HydrophobicContact CD2-CG 4.08Å; L254-K280 HydrophobicContact CG-CG 4.34Å |
| 255 | D | 97.8 | Very high | 97 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.5 | -38.3 | 178.3 | -79.6 | -27.2 | 0 | 0 | 0 | 111.6 | K251 D252 L253 K258 S259 K280 | K251-D255 WeakPolarHBondContact CE-OD2 3.38Å; K251-D255 WeakPolarHBondContact O-CB 3.39Å; K251-D255 PolarHBondContact O-N 3.41Å; D252-D255 PolarHBondContact O-N 2.83Å; L253-D255 VanDerWaalsContact C-N 3.35Å; L253-D255 PolarHBondContact O-N 2.99Å; D255-K258 PolarHBondContact O-N 3.18Å; D255-S259 WeakPolarHBondContact O-CB 3.35Å; D255-S259 PolarHBondContact O-N 2.89Å; D255-K280 WeakPolarHBondContact OD1-CE 3.36Å; D255-K280 IonicContact OD1-NZ 3.94Å; D255-K280 PolarHBondContact OD1-NZ 3.5Å; D255-K280 IonicContact OD2-NZ 3.49Å |
| 256 | L | 97.5 | Very high | 96.9 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 173.2 | -176.6 | 60 | 0 | 0 | 0 | 111.4 | D252 L253 K258 S259 L260 L338 | D252-L256 VanDerWaalsContact O-CB 3.29Å; D252-L256 WeakPolarHBondContact O-CB 3.44Å; D252-L256 PolarHBondContact O-N 3.38Å; L253-L256 PolarHBondContact O-N 2.95Å; L256-K258 VanDerWaalsContact C-N 3.33Å; L256-K258 PolarHBondContact O-N 3.08Å; L256-S259 WeakPolarHBondContact O-CB 3.48Å; L256-S259 PolarHBondContact O-N 2.65Å; L256-S259 VanDerWaalsContact O-N 3.15Å; L256-L260 HydrophobicContact CG-CD1 4.44Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.42Å; L256-L338 HydrophobicContact CB-CD2 4Å; L256-L338 HydrophobicContact CD2-CD2 3.61Å; L256-L338 HydrophobicContact CG-CD2 3.56Å |
| 257 | H | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 175.9 | -173.3 | -154 | 0 | 0 | 0 | 111.5 | L247 L253 S259 L260 V261 F279 Y331 V335 L338 | L247-H257 HydrophobicContact CD1-CB 4.3Å; L253-H257 WeakPolarHBondContact O-CB 3.49Å; L253-H257 PolarHBondContact O-N 3.48Å; H257-S259 VanDerWaalsContact C-N 3.33Å; H257-S259 PolarHBondContact O-N 2.95Å; H257-L260 PolarHBondContact O-N 3.31Å; H257-V261 WeakPolarHBondContact O-CG2 3.37Å; H257-V261 PolarHBondContact O-N 3.16Å; H257-F279 HydrophobicContact CB-CZ 4.47Å; H257-F279 AromaticContact CG-CZ 3.97Å; H257-F279 AromaticContact ND1-CZ 3.74Å; H257-Y331 AromaticContact CE1-CD2 3.36Å; H257-Y331 WeakPolarHBondContact CE1-CD2 3.43Å; H257-Y331 AromaticContact CE1-CE2 3.14Å; H257-Y331 WeakPolarHBondContact CE1-CE2 3.43Å; H257-Y331 AromaticContact CE1-CZ 3.81Å; H257-Y331 PolarHBondContact CE1-O 3.12Å; H257-Y331 AromaticContact ND1-CE2 3.66Å; H257-Y331 AromaticContact NE2-CD2 3.93Å; H257-Y331 PolarHBondContact NE2-O 3.19Å; H257-V335 VanDerWaalsContact CE1-CG2 3.44Å; H257-V335 WeakPolarHBondContact CE1-CG2 3.42Å; H257-V335 VanDerWaalsContact NE2-CG2 3.34Å; H257-V335 WeakPolarHBondContact NE2-CG2 3.17Å; H257-L338 HydrophobicContact CB-CD1 3.88Å; H257-L338 HydrophobicContact CB-CD2 4.36Å |
| 258 | K | 98.3 | Very high | 96.7 | Very high | 43 Ų | 43 | 60.1 Ų | 60.1 | 19% | 0.187 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.6 | -49.1 | 173.8 | -176.4 | 178.4 | 179.3 | -177.5 | 0 | 111.2 | L254 D255 L256 L260 V261 C262 E276 F279 | L254-K258 WeakPolarHBondContact O-CB 3.28Å; L254-K258 PolarHBondContact O-N 2.87Å; D255-K258 PolarHBondContact O-N 3.18Å; L256-K258 VanDerWaalsContact C-N 3.33Å; L256-K258 PolarHBondContact O-N 3.08Å; K258-L260 PolarHBondContact O-N 3.19Å; K258-V261 PolarHBondContact O-N 3.44Å; K258-C262 VanDerWaalsContact O-CB 3.29Å; K258-C262 WeakPolarHBondContact O-CB 3.44Å; K258-C262 PolarHBondContact O-N 3.35Å; K258-C262 PolarHBondContact O-SG 2.97Å; K258-E276 WeakPolarHBondContact CE-O 3.48Å; K258-E276 PolarHBondContact NZ-O 3.32Å; K258-F279 VanDerWaalsContact CA-CZ 3.48Å; K258-F279 HydrophobicContact CB-CD1 3.47Å; K258-F279 VanDerWaalsContact CB-CD1 3.47Å; K258-F279 HydrophobicContact CB-CE1 3.47Å; K258-F279 VanDerWaalsContact CB-CE1 3.47Å; K258-F279 HydrophobicContact CB-CG 4.1Å; K258-F279 HydrophobicContact CB-CZ 4.11Å; K258-F279 HydrophobicContact CD-CB 4.2Å; K258-F279 HydrophobicContact CD-CD1 4.06Å; K258-F279 HydrophobicContact CD-CG 4.26Å; K258-F279 HydrophobicContact CG-CB 4.14Å; K258-F279 HydrophobicContact CG-CD1 3.58Å; K258-F279 HydrophobicContact CG-CD2 4.32Å; K258-F279 HydrophobicContact CG-CE1 4.07Å; K258-F279 HydrophobicContact CG-CG 3.74Å |
| 259 | S | 98 | Very high | 96.6 | Very high | 65 Ų | 65 | 60 Ų | 60 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | -178.5 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | D255 L256 H257 T263 | D255-S259 WeakPolarHBondContact O-CB 3.35Å; D255-S259 PolarHBondContact O-N 2.89Å; L256-S259 WeakPolarHBondContact O-CB 3.48Å; L256-S259 PolarHBondContact O-N 2.65Å; L256-S259 VanDerWaalsContact O-N 3.15Å; H257-S259 VanDerWaalsContact C-N 3.33Å; H257-S259 PolarHBondContact O-N 2.95Å; S259-T263 VanDerWaalsContact O-CB 3.29Å; S259-T263 WeakPolarHBondContact O-CB 3.09Å; S259-T263 PolarHBondContact O-N 3.09Å; S259-T263 PolarHBondContact O-OG1 2.88Å |
| 260 | L | 97.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 29% | 0.288 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 177.6 | -69.9 | 171 | 0 | 0 | 0 | 111.7 | L256 H257 K258 T263 A264 L338 | L256-L260 HydrophobicContact CG-CD1 4.44Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.42Å; H257-L260 PolarHBondContact O-N 3.31Å; K258-L260 PolarHBondContact O-N 3.19Å; L260-T263 PolarHBondContact O-N 3.27Å; L260-A264 WeakPolarHBondContact O-CB 3.34Å; L260-A264 PolarHBondContact O-N 3.4Å; L260-L338 HydrophobicContact CD1-CD2 3.72Å; L260-L338 HydrophobicContact CD1-CG 4.46Å |
| 261 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | -179.9 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | H257 K258 T263 A264 L265 F279 F327 Q330 S334 | H257-V261 WeakPolarHBondContact O-CG2 3.37Å; H257-V261 PolarHBondContact O-N 3.16Å; K258-V261 PolarHBondContact O-N 3.44Å; V261-T263 VanDerWaalsContact C-N 3.33Å; V261-T263 PolarHBondContact O-N 2.85Å; V261-A264 PolarHBondContact O-N 3.01Å; V261-L265 HydrophobicContact CG1-CD1 3.54Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CB 3.04Å; V261-L265 WeakPolarHBondContact O-CG 3.06Å; V261-L265 PolarHBondContact O-N 3.22Å; V261-F279 HydrophobicContact CB-CD2 4.49Å; V261-F279 HydrophobicContact CB-CE2 3.67Å; V261-F279 HydrophobicContact CB-CZ 4.33Å; V261-F279 HydrophobicContact CG1-CD2 4.35Å; V261-F279 HydrophobicContact CG1-CE2 3.8Å; V261-F279 HydrophobicContact CG2-CE2 3.83Å; V261-F279 HydrophobicContact CG2-CZ 4.15Å; V261-F327 HydrophobicContact CG1-CD2 4.46Å; V261-F327 HydrophobicContact CG1-CE2 4.42Å; V261-Q330 HydrophobicContact CG1-CB 4.44Å; V261-S334 WeakPolarHBondContact CG2-OG 3.29Å |
| 262 | C | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 178 | -68.6 | 0 | 0 | 0 | 0 | 111.5 | K258 L265 R266 F272 | K258-C262 VanDerWaalsContact O-CB 3.29Å; K258-C262 WeakPolarHBondContact O-CB 3.44Å; K258-C262 PolarHBondContact O-N 3.35Å; K258-C262 PolarHBondContact O-SG 2.97Å; C262-L265 PolarHBondContact O-N 2.78Å; C262-R266 WeakPolarHBondContact O-CB 3.23Å; C262-R266 PolarHBondContact O-N 3.43Å; C262-F272 HydrophobicContact CB-CE2 4.48Å; C262-F272 HydrophobicContact CB-CZ 4.06Å; C262-F272 WeakPolarHBondContact O-CE2 3.27Å |
| 263 | T | 97.3 | Very high | 96.4 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | S259 L260 V261 L265 | S259-T263 VanDerWaalsContact O-CB 3.29Å; S259-T263 WeakPolarHBondContact O-CB 3.09Å; S259-T263 PolarHBondContact O-N 3.09Å; S259-T263 PolarHBondContact O-OG1 2.88Å; L260-T263 PolarHBondContact O-N 3.27Å; V261-T263 VanDerWaalsContact C-N 3.33Å; V261-T263 PolarHBondContact O-N 2.85Å; T263-L265 PolarHBondContact O-N 3.2Å |
| 264 | A | 97.2 | Very high | 96.4 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.3 | -31.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L260 V261 K268 Q330 | L260-A264 WeakPolarHBondContact O-CB 3.34Å; L260-A264 PolarHBondContact O-N 3.4Å; V261-A264 PolarHBondContact O-N 3.01Å; A264-K268 WeakPolarHBondContact O-CD 3.29Å; A264-K268 VanDerWaalsContact O-CE 3.31Å; A264-K268 WeakPolarHBondContact O-CE 3.43Å; A264-K268 PolarHBondContact O-NZ 2.9Å; A264-Q330 HydrophobicContact CB-CG 4.48Å |
| 265 | L | 96.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -100.2 | -7.8 | -174.4 | -68.3 | 176.3 | 0 | 0 | 0 | 114.5 | V261 C262 T263 G267 K268 L269 F272 M275 F326 F327 Q330 | V261-L265 HydrophobicContact CG1-CD1 3.54Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CB 3.04Å; V261-L265 WeakPolarHBondContact O-CG 3.06Å; V261-L265 PolarHBondContact O-N 3.22Å; C262-L265 PolarHBondContact O-N 2.78Å; T263-L265 PolarHBondContact O-N 3.2Å; L265-G267 PolarHBondContact O-N 3.26Å; L265-K268 WeakPolarHBondContact O-CB 3.34Å; L265-K268 PolarHBondContact O-N 2.71Å; L265-L269 HydrophobicContact CB-CD1 4.18Å; L265-L269 HydrophobicContact CB-CG 4.21Å; L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD2-CD2 4.26Å; L265-L269 HydrophobicContact CD2-CG 4.39Å; L265-F272 HydrophobicContact CB-CD2 4.44Å; L265-F272 HydrophobicContact CB-CE2 4.29Å; L265-M275 HydrophobicContact CB-CE 4.2Å; L265-M275 HydrophobicContact CD1-CE 4.19Å; L265-F326 HydrophobicContact CD2-CB 4.1Å; L265-F327 HydrophobicContact CD1-CD2 4.36Å; L265-Q330 HydrophobicContact CD1-CB 4.02Å; L265-Q330 HydrophobicContact CD1-CG 4.35Å; L265-Q330 HydrophobicContact CD2-CB 4.08Å; L265-Q330 HydrophobicContact CD2-CG 3.47Å; L265-Q330 VanDerWaalsContact CD2-CG 3.47Å; L265-Q330 HydrophobicContact CG-CB 4.01Å; L265-Q330 HydrophobicContact CG-CG 3.87Å |
| 266 | R | 95.4 | Very high | 96.4 | Very high | 166 Ų | 166 | 53.4 Ų | 53.4 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 126.2 | 179.9 | -176.3 | 171.9 | -76.2 | 168.1 | -3.2 | 110.8 | C262 K268 F272 | C262-R266 WeakPolarHBondContact O-CB 3.23Å; C262-R266 PolarHBondContact O-N 3.43Å; R266-K268 PolarHBondContact O-N 3.22Å; R266-F272 VanDerWaalsContact CA-CE2 3.43Å; R266-F272 HydrophobicContact CB-CE2 3.96Å; R266-F272 HydrophobicContact CB-CZ 4.06Å; R266-F272 HydrophobicContact CG-CZ 4.41Å |
| 267 | G | 93.5 | Very high | 96.4 | Very high | 79 Ų | 79 | 53 Ų | 53 | 81% | 0.814 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 6.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L265 | L265-G267 PolarHBondContact O-N 3.26Š|
| 268 | K | 94.2 | Very high | 96.3 | Very high | 136 Ų | 136 | 54.6 Ų | 54.6 | 59% | 0.591 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -20.9 | 178.3 | -60.8 | -178.2 | -174.4 | 162.6 | 0 | 114.1 | A264 L265 R266 | A264-K268 WeakPolarHBondContact O-CD 3.29Å; A264-K268 VanDerWaalsContact O-CE 3.31Å; A264-K268 WeakPolarHBondContact O-CE 3.43Å; A264-K268 PolarHBondContact O-NZ 2.9Å; L265-K268 WeakPolarHBondContact O-CB 3.34Å; L265-K268 PolarHBondContact O-N 2.71Å; R266-K268 PolarHBondContact O-N 3.22Å |
| 269 | L | 94.2 | Very high | 96.3 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | trans | -103.6 | 143 | 177.9 | -57.3 | -175.3 | 0 | 0 | 0 | 110.7 | L265 V271 F272 M275 D323 F326 | L265-L269 HydrophobicContact CB-CD1 4.18Å; L265-L269 HydrophobicContact CB-CG 4.21Å; L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD2-CD2 4.26Å; L265-L269 HydrophobicContact CD2-CG 4.39Å; L269-V271 VanDerWaalsContact C-N 3.33Å; L269-F272 HydrophobicContact CB-CB 4.23Å; L269-M275 HydrophobicContact CD1-CB 4.12Å; L269-M275 HydrophobicContact CD1-CE 3.97Å; L269-M275 HydrophobicContact CD1-CG 3.93Å; L269-D323 HydrophobicContact CD2-CB 3.88Å; L269-F326 HydrophobicContact CD2-CB 3.62Å; L269-F326 HydrophobicContact CD2-CD2 4.22Å; L269-F326 HydrophobicContact CD2-CG 4.33Å | ||
| 270 | G | 92.3 | Very high | 96.3 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 76% | 0.763 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -33.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D323 | G270-D323 PolarHBondContact N-OD2 3.49Š|
| 271 | V | 94.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 35.3 | -177.8 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | L269 S273 E274 M275 W319 D323 | L269-V271 VanDerWaalsContact C-N 3.33Å; V271-S273 VanDerWaalsContact C-N 3.33Å; V271-S273 PolarHBondContact O-N 2.79Å; V271-E274 VanDerWaalsContact C-OE2 3.27Å; V271-E274 WeakPolarHBondContact CA-OE2 3.47Å; V271-E274 HydrophobicContact CB-CB 4.43Å; V271-E274 PolarHBondContact O-N 3.31Å; V271-M275 VanDerWaalsContact O-CB 3.31Å; V271-M275 WeakPolarHBondContact O-CB 3.24Å; V271-M275 PolarHBondContact O-N 3.35Å; V271-W319 HydrophobicContact CB-CD2 4.48Å; V271-W319 HydrophobicContact CB-CG 4.26Å; V271-W319 HydrophobicContact CG1-CG 4.45Å; V271-W319 HydrophobicContact CG2-CB 4.15Å; V271-W319 HydrophobicContact CG2-CD2 3.5Å; V271-W319 VanDerWaalsContact CG2-CD2 3.5Å; V271-W319 HydrophobicContact CG2-CE3 3.98Å; V271-W319 HydrophobicContact CG2-CG 3.54Å; V271-D323 HydrophobicContact CG2-CB 3.88Å; V271-D323 WeakPolarHBondContact CG2-OD2 3.39Å; V271-D323 PolarHBondContact N-OD2 2.91Å |
| 272 | F | 96.7 | Very high | 96.3 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | -173.3 | -177.4 | -91.5 | 0 | 0 | 0 | 113.1 | C262 L265 R266 L269 M275 E276 | C262-F272 HydrophobicContact CB-CE2 4.48Å; C262-F272 HydrophobicContact CB-CZ 4.06Å; C262-F272 WeakPolarHBondContact O-CE2 3.27Å; L265-F272 HydrophobicContact CB-CD2 4.44Å; L265-F272 HydrophobicContact CB-CE2 4.29Å; R266-F272 VanDerWaalsContact CA-CE2 3.43Å; R266-F272 HydrophobicContact CB-CE2 3.96Å; R266-F272 HydrophobicContact CB-CZ 4.06Å; R266-F272 HydrophobicContact CG-CZ 4.41Å; L269-F272 HydrophobicContact CB-CB 4.23Å; F272-M275 HydrophobicContact CD2-CE 3.6Å; F272-M275 HydrophobicContact CE2-CE 3.55Å; F272-M275 HydrophobicContact CG-CE 4.39Å; F272-M275 HydrophobicContact CZ-CE 4.31Å; F272-M275 PolarHBondContact O-N 3.21Å; F272-E276 HydrophobicContact CE1-CB 4.45Å; F272-E276 WeakPolarHBondContact O-CB 3.33Å; F272-E276 PolarHBondContact O-N 2.96Å |
| 273 | S | 96.1 | Very high | 96.3 | Very high | 83 Ų | 83 | 54 Ų | 54 | 58% | 0.58 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.1 | -44 | -177.6 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | V271 E276 A277 | V271-S273 VanDerWaalsContact C-N 3.33Å; V271-S273 PolarHBondContact O-N 2.79Å; S273-E276 PolarHBondContact O-N 3.26Å; S273-A277 WeakPolarHBondContact O-CB 3.38Å; S273-A277 PolarHBondContact O-N 3.27Å |
| 274 | E | 96.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 54.2 Ų | 54.2 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 177.1 | -62.5 | 71.2 | -157.6 | 0 | 0 | 110.4 | V271 A277 N278 D317 | V271-E274 VanDerWaalsContact C-OE2 3.27Å; V271-E274 WeakPolarHBondContact CA-OE2 3.47Å; V271-E274 HydrophobicContact CB-CB 4.43Å; V271-E274 PolarHBondContact O-N 3.31Å; E274-A277 PolarHBondContact O-N 3.25Å; E274-N278 WeakPolarHBondContact O-CB 3.46Å; E274-N278 PolarHBondContact O-N 3.49Å; E274-N278 PolarHBondContact O-ND2 3.44Å; E274-D317 HydrophobicContact CB-CB 4.22Å; E274-D317 HydrophobicContact CG-CB 4.32Å |
| 275 | M | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 172.3 | -178.2 | -76.8 | -65.1 | 0 | 0 | 112.1 | L265 L269 V271 F272 A277 N278 F279 W319 F327 | L265-M275 HydrophobicContact CB-CE 4.2Å; L265-M275 HydrophobicContact CD1-CE 4.19Å; L269-M275 HydrophobicContact CD1-CB 4.12Å; L269-M275 HydrophobicContact CD1-CE 3.97Å; L269-M275 HydrophobicContact CD1-CG 3.93Å; V271-M275 VanDerWaalsContact O-CB 3.31Å; V271-M275 WeakPolarHBondContact O-CB 3.24Å; V271-M275 PolarHBondContact O-N 3.35Å; F272-M275 HydrophobicContact CD2-CE 3.6Å; F272-M275 HydrophobicContact CE2-CE 3.55Å; F272-M275 HydrophobicContact CG-CE 4.39Å; F272-M275 HydrophobicContact CZ-CE 4.31Å; F272-M275 PolarHBondContact O-N 3.21Å; M275-A277 VanDerWaalsContact C-N 3.33Å; M275-A277 PolarHBondContact O-N 2.7Å; M275-N278 PolarHBondContact O-N 2.91Å; M275-F279 WeakPolarHBondContact O-CA 3.05Å; M275-F279 PolarHBondContact O-N 2.81Å; M275-F279 HydrophobicContact SD-CD2 4.31Å; M275-W319 VanDerWaalsContact CA-CH2 3.48Å; M275-W319 HydrophobicContact CB-CH2 3.4Å; M275-W319 VanDerWaalsContact CB-CH2 3.4Å; M275-W319 HydrophobicContact CB-CZ2 3.59Å; M275-W319 HydrophobicContact CB-CZ3 4.11Å; M275-W319 HydrophobicContact CG-CH2 3.44Å; M275-W319 VanDerWaalsContact CG-CH2 3.44Å; M275-W319 HydrophobicContact CG-CZ2 4.16Å; M275-W319 HydrophobicContact CG-CZ3 3.97Å; M275-F327 HydrophobicContact CG-CD2 3.54Å; M275-F327 HydrophobicContact CG-CE2 4.01Å; M275-F327 HydrophobicContact CG-CG 4.42Å; M275-F327 HydrophobicContact SD-CD2 3.9Å; M275-F327 HydrophobicContact SD-CE2 4.03Å |
| 276 | E | 97.2 | Very high | 96.4 | Very high | 70 Ų | 70 | 53.3 Ų | 53.3 | 33% | 0.327 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | -179.8 | -177.8 | 171.5 | -159.4 | 0 | 0 | 111.9 | K258 F272 S273 | K258-E276 WeakPolarHBondContact CE-O 3.48Å; K258-E276 PolarHBondContact NZ-O 3.32Å; F272-E276 HydrophobicContact CE1-CB 4.45Å; F272-E276 WeakPolarHBondContact O-CB 3.33Å; F272-E276 PolarHBondContact O-N 2.96Å; S273-E276 PolarHBondContact O-N 3.26Å |
| 277 | A | 96.9 | Very high | 96.6 | Very high | 75 Ų | 75 | 45.4 Ų | 45.4 | 62% | 0.62 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S273 E274 M275 | S273-A277 WeakPolarHBondContact O-CB 3.38Å; S273-A277 PolarHBondContact O-N 3.27Å; E274-A277 PolarHBondContact O-N 3.25Å; M275-A277 VanDerWaalsContact C-N 3.33Å; M275-A277 PolarHBondContact O-N 2.7Å |
| 278 | N | 96.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 44.7 Ų | 44.7 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -87.8 | -11 | -175.9 | -73.1 | -61.3 | 0 | 0 | 0 | 115 | E274 M275 K280 N281 L282 D317 | E274-N278 WeakPolarHBondContact O-CB 3.46Å; E274-N278 PolarHBondContact O-N 3.49Å; E274-N278 PolarHBondContact O-ND2 3.44Å; M275-N278 PolarHBondContact O-N 2.91Å; N278-K280 VanDerWaalsContact C-N 3.32Å; N278-K280 PolarHBondContact O-N 3.43Å; N278-K280 VanDerWaalsContact O-N 3.11Å; N278-N281 WeakPolarHBondContact O-CA 3.31Å; N278-N281 WeakPolarHBondContact O-CB 3.12Å; N278-N281 PolarHBondContact O-N 3.1Å; N278-L282 HydrophobicContact CB-CD1 4.13Å; N278-L282 HydrophobicContact CB-CG 4.21Å; N278-L282 PolarHBondContact O-N 3.21Å; N278-D317 PolarHBondContact ND2-OD2 3.36Å |
| 279 | F | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -43.6 | -54 | -173.1 | -175.8 | -86.2 | 0 | 0 | 0 | 113.2 | L254 H257 K258 V261 M275 N281 L282 S283 F327 Y331 | L254-F279 HydrophobicContact CD1-CE1 4.09Å; H257-F279 HydrophobicContact CB-CZ 4.47Å; H257-F279 AromaticContact CG-CZ 3.97Å; H257-F279 AromaticContact ND1-CZ 3.74Å; K258-F279 VanDerWaalsContact CA-CZ 3.48Å; K258-F279 HydrophobicContact CB-CD1 3.47Å; K258-F279 VanDerWaalsContact CB-CD1 3.47Å; K258-F279 HydrophobicContact CB-CE1 3.47Å; K258-F279 VanDerWaalsContact CB-CE1 3.47Å; K258-F279 HydrophobicContact CB-CG 4.1Å; K258-F279 HydrophobicContact CB-CZ 4.11Å; K258-F279 HydrophobicContact CD-CB 4.2Å; K258-F279 HydrophobicContact CD-CD1 4.06Å; K258-F279 HydrophobicContact CD-CG 4.26Å; K258-F279 HydrophobicContact CG-CB 4.14Å; K258-F279 HydrophobicContact CG-CD1 3.58Å; K258-F279 HydrophobicContact CG-CD2 4.32Å; K258-F279 HydrophobicContact CG-CE1 4.07Å; K258-F279 HydrophobicContact CG-CG 3.74Å; V261-F279 HydrophobicContact CB-CD2 4.49Å; V261-F279 HydrophobicContact CB-CE2 3.67Å; V261-F279 HydrophobicContact CB-CZ 4.33Å; V261-F279 HydrophobicContact CG1-CD2 4.35Å; V261-F279 HydrophobicContact CG1-CE2 3.8Å; V261-F279 HydrophobicContact CG2-CE2 3.83Å; V261-F279 HydrophobicContact CG2-CZ 4.15Å; M275-F279 WeakPolarHBondContact O-CA 3.05Å; M275-F279 PolarHBondContact O-N 2.81Å; M275-F279 HydrophobicContact SD-CD2 4.31Å; F279-N281 VanDerWaalsContact C-N 3.29Å; F279-N281 PolarHBondContact O-N 3.49Å; F279-L282 PolarHBondContact O-N 3.32Å; F279-S283 WeakPolarHBondContact CE1-OG 3.35Å; F279-S283 WeakPolarHBondContact O-CB 3.32Å; F279-S283 PolarHBondContact O-N 3.07Å; F279-S283 PolarHBondContact O-OG 3.41Å; F279-F327 AromaticContact CD2-CE2 3.82Å; F279-F327 HydrophobicContact CD2-CE2 3.82Å; F279-F327 HydrophobicContact CD2-CZ 4.36Å; F279-F327 HydrophobicContact CE2-CE2 4.05Å; F279-F327 HydrophobicContact CE2-CZ 4.45Å; F279-Y331 AromaticContact CE2-CD2 3.91Å; F279-Y331 HydrophobicContact CE2-CD2 3.91Å; F279-Y331 HydrophobicContact CE2-CE2 4.35Å; F279-Y331 AromaticContact CZ-CD2 3.94Å; F279-Y331 HydrophobicContact CZ-CD2 3.94Å; F279-Y331 AromaticContact CZ-CE2 4Å; F279-Y331 HydrophobicContact CZ-CE2 4Å |
| 280 | K | 97.9 | Very high | 97 | Very high | 55 Ų | 55 | 37.7 Ų | 37.7 | 24% | 0.239 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -32.9 | -176.9 | -65 | -173.3 | 177.6 | -173.5 | 0 | 112.7 | L254 D255 N278 R284 | L254-K280 HydrophobicContact CD2-CB 4.33Å; L254-K280 HydrophobicContact CD2-CD 4.31Å; L254-K280 HydrophobicContact CD2-CG 4.08Å; L254-K280 HydrophobicContact CG-CG 4.34Å; D255-K280 WeakPolarHBondContact OD1-CE 3.36Å; D255-K280 IonicContact OD1-NZ 3.94Å; D255-K280 PolarHBondContact OD1-NZ 3.5Å; D255-K280 IonicContact OD2-NZ 3.49Å; N278-K280 VanDerWaalsContact C-N 3.32Å; N278-K280 PolarHBondContact O-N 3.43Å; N278-K280 VanDerWaalsContact O-N 3.11Å; K280-R284 WeakPolarHBondContact O-CB 3.35Å; K280-R284 VanDerWaalsContact O-CG 3.23Å; K280-R284 WeakPolarHBondContact O-CG 3.29Å; K280-R284 PolarHBondContact O-N 2.76Å; K280-R284 VanDerWaalsContact O-N 3.12Å |
| 281 | N | 97.8 | Very high | 97.2 | Very high | 100 Ų | 100 | 34.3 Ų | 34.3 | 54% | 0.535 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -72.1 | -46.3 | 178.5 | -68.5 | -16.2 | 0 | 0 | 0 | 110.4 | N278 F279 R284 G285 | N278-N281 WeakPolarHBondContact O-CA 3.31Å; N278-N281 WeakPolarHBondContact O-CB 3.12Å; N278-N281 PolarHBondContact O-N 3.1Å; F279-N281 VanDerWaalsContact C-N 3.29Å; F279-N281 PolarHBondContact O-N 3.49Å; N281-R284 PolarHBondContact O-N 3.43Å; N281-G285 PolarHBondContact O-N 2.88Å |
| 282 | L | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 175.8 | -64.5 | 174.8 | 0 | 0 | 0 | 111.3 | N278 F279 R284 G285 L286 F310 P313 W319 F327 | N278-L282 HydrophobicContact CB-CD1 4.13Å; N278-L282 HydrophobicContact CB-CG 4.21Å; N278-L282 PolarHBondContact O-N 3.21Å; F279-L282 PolarHBondContact O-N 3.32Å; L282-R284 VanDerWaalsContact C-N 3.35Å; L282-R284 PolarHBondContact O-N 3.01Å; L282-G285 WeakPolarHBondContact O-CA 3.37Å; L282-G285 PolarHBondContact O-N 3.48Å; L282-L286 WeakPolarHBondContact O-CG 3.36Å; L282-L286 PolarHBondContact O-N 3.09Å; L282-F310 HydrophobicContact CB-CD2 4.43Å; L282-F310 HydrophobicContact CB-CE2 4.48Å; L282-F310 HydrophobicContact CD1-CE2 4.44Å; L282-F310 HydrophobicContact CD2-CD2 3.89Å; L282-F310 HydrophobicContact CD2-CE2 4.23Å; L282-P313 HydrophobicContact CD2-CB 3.97Å; L282-P313 HydrophobicContact CD2-CG 4.48Å; L282-W319 HydrophobicContact CD1-CH2 3.71Å; L282-W319 HydrophobicContact CD1-CZ2 4.17Å; L282-F327 HydrophobicContact CB-CZ 4.46Å; L282-F327 HydrophobicContact CD1-CE1 4.35Å; L282-F327 HydrophobicContact CD1-CZ 4.24Å |
| 283 | S | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -46.4 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | F279 G285 L286 V287 Y331 | F279-S283 WeakPolarHBondContact CE1-OG 3.35Å; F279-S283 WeakPolarHBondContact O-CB 3.32Å; F279-S283 PolarHBondContact O-N 3.07Å; F279-S283 PolarHBondContact O-OG 3.41Å; S283-G285 VanDerWaalsContact C-N 3.31Å; S283-G285 PolarHBondContact O-N 2.76Å; S283-L286 PolarHBondContact O-N 3.43Å; S283-V287 WeakPolarHBondContact O-CB 3.33Å; S283-V287 WeakPolarHBondContact O-CG2 3.44Å; S283-V287 PolarHBondContact O-N 3.44Å; S283-Y331 WeakPolarHBondContact CA-OH 3.41Å; S283-Y331 WeakPolarHBondContact OG-CE2 3.24Å |
| 284 | R | 98.3 | Very high | 96.9 | Very high | 99 Ų | 99 | 34.3 Ų | 34.3 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 175 | -74.9 | 177.6 | -168.2 | 125.3 | -2.2 | 111.6 | V248 K280 N281 L282 N288 | V248-R284 HydrophobicContact CB-CG 4.01Å; V248-R284 HydrophobicContact CG1-CG 4.28Å; K280-R284 WeakPolarHBondContact O-CB 3.35Å; K280-R284 VanDerWaalsContact O-CG 3.23Å; K280-R284 WeakPolarHBondContact O-CG 3.29Å; K280-R284 PolarHBondContact O-N 2.76Å; K280-R284 VanDerWaalsContact O-N 3.12Å; N281-R284 PolarHBondContact O-N 3.43Å; L282-R284 VanDerWaalsContact C-N 3.35Å; L282-R284 PolarHBondContact O-N 3.01Å; R284-N288 WeakPolarHBondContact O-CB 3.16Å; R284-N288 PolarHBondContact O-N 2.86Å; R284-N288 PolarHBondContact O-ND2 3.02Å |
| 285 | G | 97.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 9% | 0.093 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.7 | -57.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | N281 L282 S283 N288 V289 | N281-G285 PolarHBondContact O-N 2.88Å; L282-G285 WeakPolarHBondContact O-CA 3.37Å; L282-G285 PolarHBondContact O-N 3.48Å; S283-G285 VanDerWaalsContact C-N 3.31Å; S283-G285 PolarHBondContact O-N 2.76Å; G285-N288 PolarHBondContact O-N 3.36Å; G285-V289 WeakPolarHBondContact O-CG2 3.43Å; G285-V289 PolarHBondContact O-N 2.93Å |
| 286 | L | 98.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -50.2 | -178 | -62.1 | 176.7 | 0 | 0 | 0 | 112.2 | L282 S283 N288 V289 A290 F310 L328 Y331 Y350 M351 L354 L358 | L282-L286 WeakPolarHBondContact O-CG 3.36Å; L282-L286 PolarHBondContact O-N 3.09Å; S283-L286 PolarHBondContact O-N 3.43Å; L286-N288 PolarHBondContact O-N 3.2Å; L286-V289 PolarHBondContact O-N 2.76Å; L286-A290 PolarHBondContact O-N 3.37Å; L286-F310 HydrophobicContact CD1-CD2 4.02Å; L286-F310 HydrophobicContact CD1-CE2 4.13Å; L286-F310 HydrophobicContact CD2-CB 4.07Å; L286-F310 HydrophobicContact CD2-CD2 3.73Å; L286-F310 HydrophobicContact CD2-CG 4.05Å; L286-F310 HydrophobicContact CG-CD2 4Å; L286-L328 HydrophobicContact CD1-CD2 4.41Å; L286-Y331 HydrophobicContact CD1-CD1 4.03Å; L286-Y331 HydrophobicContact CD1-CE1 3.55Å; L286-Y350 PolarHBondContact O-OH 3.34Å; L286-M351 HydrophobicContact CD1-CE 4.34Å; L286-L354 HydrophobicContact CD2-CD2 3.77Å; L286-L358 HydrophobicContact CD2-CD1 3.6Å |
| 287 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -36 | -177.6 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | L244 K245 L247 V248 S283 A290 A291 W347 | L244-V287 HydrophobicContact CB-CG1 4.27Å; L244-V287 WeakPolarHBondContact O-CG1 3.38Å; K245-V287 HydrophobicContact CG-CG1 4.31Å; L247-V287 HydrophobicContact CD2-CG2 4.24Å; V248-V287 HydrophobicContact CG1-CB 3.89Å; V248-V287 HydrophobicContact CG1-CG1 4.26Å; V248-V287 HydrophobicContact CG1-CG2 3.79Å; V248-V287 HydrophobicContact CG2-CB 4.05Å; V248-V287 HydrophobicContact CG2-CG1 3.71Å; S283-V287 WeakPolarHBondContact O-CB 3.33Å; S283-V287 WeakPolarHBondContact O-CG2 3.44Å; S283-V287 PolarHBondContact O-N 3.44Å; V287-A290 WeakPolarHBondContact O-CB 3.3Å; V287-A290 PolarHBondContact O-N 2.91Å; V287-A291 PolarHBondContact O-N 2.9Å; V287-W347 HydrophobicContact CG2-CZ3 4.11Å |
| 288 | N | 97.3 | Very high | 96 | Very high | 63 Ų | 63 | 43.1 Ų | 43.1 | 34% | 0.337 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -72.1 | -29.6 | 177.6 | -73.6 | -41.8 | 0 | 0 | 0 | 112.8 | R284 G285 L286 K292 | R284-N288 WeakPolarHBondContact O-CB 3.16Å; R284-N288 PolarHBondContact O-N 2.86Å; R284-N288 PolarHBondContact O-ND2 3.02Å; G285-N288 PolarHBondContact O-N 3.36Å; L286-N288 PolarHBondContact O-N 3.2Å; N288-K292 WeakPolarHBondContact O-CD 3.13Å; N288-K292 VanDerWaalsContact O-CG 3.24Å; N288-K292 WeakPolarHBondContact O-CG 3.14Å; N288-K292 PolarHBondContact O-N 3.05Å |
| 289 | V | 97.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.1 | -53.3 | 169.5 | 170.2 | 0 | 0 | 0 | 0 | 109 | G285 L286 A291 K292 L293 L302 D305 L306 K309 | G285-V289 WeakPolarHBondContact O-CG2 3.43Å; G285-V289 PolarHBondContact O-N 2.93Å; L286-V289 PolarHBondContact O-N 2.76Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.77Å; V289-K292 PolarHBondContact O-N 2.85Å; V289-K292 VanDerWaalsContact O-N 3.07Å; V289-L293 HydrophobicContact CG1-CD2 4.46Å; V289-L293 WeakPolarHBondContact O-CG 3.5Å; V289-L293 PolarHBondContact O-N 3.43Å; V289-L302 HydrophobicContact CG1-CD1 3.75Å; V289-D305 HydrophobicContact CG2-CB 3.88Å; V289-L306 HydrophobicContact CG1-CD2 4.1Å; V289-K309 HydrophobicContact CG2-CB 4.47Å; V289-K309 HydrophobicContact CG2-CG 4.22Å |
| 290 | A | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -49.6 | -52.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L241 L244 L286 V287 K292 L293 Y350 | L241-A290 HydrophobicContact CB-CB 4.13Å; L241-A290 WeakPolarHBondContact CB-O 3.25Å; L241-A290 HydrophobicContact CD1-CB 4.37Å; L241-A290 HydrophobicContact CD2-CB 4.47Å; L244-A290 HydrophobicContact CD1-CB 4.19Å; L286-A290 PolarHBondContact O-N 3.37Å; V287-A290 WeakPolarHBondContact O-CB 3.3Å; V287-A290 PolarHBondContact O-N 2.91Å; A290-K292 PolarHBondContact O-N 3.03Å; A290-K292 VanDerWaalsContact O-N 3.12Å; A290-L293 WeakPolarHBondContact O-CB 3.12Å; A290-L293 PolarHBondContact O-N 2.93Å; A290-L293 VanDerWaalsContact O-N 3.12Å; A290-Y350 HydrophobicContact CB-CD1 4.17Å; A290-Y350 HydrophobicContact CB-CD2 4.23Å; A290-Y350 HydrophobicContact CB-CE1 3.6Å; A290-Y350 HydrophobicContact CB-CE2 3.69Å; A290-Y350 HydrophobicContact CB-CG 4.45Å; A290-Y350 PolarHBondContact N-OH 3.45Å |
| 291 | A | 95.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.6 | -15.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K242 K245 V287 V289 | K242-A291 HydrophobicContact CG-CB 4.47Å; K242-A291 WeakPolarHBondContact CG-O 3.45Å; K245-A291 HydrophobicContact CD-CB 3.7Å; K245-A291 HydrophobicContact CG-CB 3.66Å; V287-A291 PolarHBondContact O-N 2.9Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.77Å |
| 292 | K | 95 | Very high | 95.8 | Very high | 88 Ų | 88 | 41.2 Ų | 41.2 | 38% | 0.383 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -90.8 | -18.8 | 177.1 | -75.4 | 173.4 | 171.6 | -167.1 | 0 | 113 | N288 V289 A290 T294 H295 D298 | N288-K292 WeakPolarHBondContact O-CD 3.13Å; N288-K292 VanDerWaalsContact O-CG 3.24Å; N288-K292 WeakPolarHBondContact O-CG 3.14Å; N288-K292 PolarHBondContact O-N 3.05Å; V289-K292 PolarHBondContact O-N 2.85Å; V289-K292 VanDerWaalsContact O-N 3.07Å; A290-K292 PolarHBondContact O-N 3.03Å; A290-K292 VanDerWaalsContact O-N 3.12Å; K292-T294 PolarHBondContact O-N 2.82Å; K292-H295 PolarHBondContact O-N 2.88Å; K292-D298 HydrophobicContact CB-CB 3.78Å; K292-D298 WeakPolarHBondContact O-CB 3.42Å |
| 293 | L | 95.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -9 | -175.7 | -60.2 | -177.8 | 0 | 0 | 0 | 114.4 | W210 L238 L241 V289 A290 H295 V299 L302 Y350 | W210-L293 HydrophobicContact CH2-CD1 4.08Å; W210-L293 HydrophobicContact CZ3-CD1 3.94Å; L238-L293 HydrophobicContact CD2-CB 3.98Å; L238-L293 HydrophobicContact CD2-CD1 4.25Å; L241-L293 HydrophobicContact CD1-CB 4.33Å; L241-L293 HydrophobicContact CD1-CD1 3.85Å; V289-L293 HydrophobicContact CG1-CD2 4.46Å; V289-L293 WeakPolarHBondContact O-CG 3.5Å; V289-L293 PolarHBondContact O-N 3.43Å; A290-L293 WeakPolarHBondContact O-CB 3.12Å; A290-L293 PolarHBondContact O-N 2.93Å; A290-L293 VanDerWaalsContact O-N 3.12Å; L293-H295 PolarHBondContact O-N 3.43Å; L293-V299 HydrophobicContact CB-CG2 4.44Å; L293-V299 WeakPolarHBondContact O-CG2 3.23Å; L293-L302 HydrophobicContact CD1-CD1 4.32Å; L293-L302 HydrophobicContact CD2-CD1 3.88Å; L293-Y350 HydrophobicContact CD1-CE2 4.35Å |
| 294 | T | 90.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 41.8 Ų | 41.8 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.7 | 167.7 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | L238 K242 K292 | L238-T294 VanDerWaalsContact O-CG2 3.23Å; L238-T294 WeakPolarHBondContact O-CG2 3.42Å; K242-T294 HydrophobicContact CD-CG2 3.8Å; K242-T294 WeakPolarHBondContact CE-OG1 3.45Å; K242-T294 HydrophobicContact CG-CG2 3.91Å; K242-T294 VanDerWaalsContact NZ-CB 3.33Å; K242-T294 VanDerWaalsContact NZ-CG2 3.33Å; K242-T294 PolarHBondContact NZ-OG1 2.87Å; K292-T294 PolarHBondContact O-N 2.82Å |
| 295 | H | 91.5 | Very high | 95.7 | Very high | 108 Ų | 108 | 38 Ų | 38 | 50% | 0.5 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -104.8 | 128.5 | 179.5 | -62.2 | -56.1 | 0 | 0 | 0 | 110.4 | K292 L293 K297 D298 V299 | K292-H295 PolarHBondContact O-N 2.88Å; L293-H295 PolarHBondContact O-N 3.43Å; H295-K297 PolarHBondContact O-N 3.11Å; H295-D298 WeakPolarHBondContact CB-OD2 3.26Å; H295-D298 IonicContact CD2-OD2 2.85Å; H295-D298 IonicContact CG-OD2 3.24Å; H295-D298 PolarHBondContact O-N 2.87Å; H295-V299 PolarHBondContact O-N 3.31Å |
| 296 | N | 90.1 | Very high | 95.7 | Very high | 124 Ų | 124 | 37.6 Ų | 37.6 | 66% | 0.663 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -55.1 | -29 | 179.1 | -76.5 | -39.7 | 0 | 0 | 0 | 114 | R300 | N296-R300 VanDerWaalsContact O-CG 3.29Å; N296-R300 WeakPolarHBondContact O-CG 3.49Å; N296-R300 PolarHBondContact O-N 3.39Å |
| 297 | K | 93.4 | Very high | 95.7 | Very high | 146 Ų | 146 | 37.6 Ų | 37.6 | 64% | 0.635 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -66.1 | -49.4 | 176.5 | -175.9 | -171.3 | 171.7 | -168.7 | 0 | 110.5 | H295 V299 R300 D301 | H295-K297 PolarHBondContact O-N 3.11Å; K297-V299 VanDerWaalsContact C-N 3.3Å; K297-V299 PolarHBondContact O-N 3.34Å; K297-R300 WeakPolarHBondContact O-CB 3.22Å; K297-R300 PolarHBondContact O-N 2.87Å; K297-R300 VanDerWaalsContact O-N 3.09Å; K297-D301 PolarHBondContact O-N 3.32Å |
| 298 | D | 95.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 15% | 0.15 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.1 | -29.9 | -178.7 | -55.5 | -95 | 0 | 0 | 0 | 111.7 | K292 H295 D301 L302 | K292-D298 HydrophobicContact CB-CB 3.78Å; K292-D298 WeakPolarHBondContact O-CB 3.42Å; H295-D298 WeakPolarHBondContact CB-OD2 3.26Å; H295-D298 IonicContact CD2-OD2 2.85Å; H295-D298 IonicContact CG-OD2 3.24Å; H295-D298 PolarHBondContact O-N 2.87Å; D298-D301 CarbonylContact O-C 3.57Å; D298-D301 PolarHBondContact O-N 2.96Å; D298-L302 PolarHBondContact O-N 3.05Å |
| 299 | V | 94.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -49.6 | 166.5 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | F184 L233 L238 L293 H295 K297 D301 L302 | F184-V299 WeakPolarHBondContact CD1-O 3.34Å; F184-V299 HydrophobicContact CE1-CG1 3.81Å; F184-V299 WeakPolarHBondContact CE1-O 3.45Å; F184-V299 HydrophobicContact CZ-CG1 4.2Å; L233-V299 HydrophobicContact CD1-CG1 3.5Å; L233-V299 HydrophobicContact CD1-CG2 4.4Å; L238-V299 HydrophobicContact CD1-CG2 4.16Å; L293-V299 HydrophobicContact CB-CG2 4.44Å; L293-V299 WeakPolarHBondContact O-CG2 3.23Å; H295-V299 PolarHBondContact O-N 3.31Å; K297-V299 VanDerWaalsContact C-N 3.3Å; K297-V299 PolarHBondContact O-N 3.34Å; V299-D301 VanDerWaalsContact C-N 3.3Å; V299-D301 PolarHBondContact O-N 2.94Å; V299-L302 WeakPolarHBondContact O-CB 3.23Å; V299-L302 PolarHBondContact O-N 3.4Å |
| 300 | R | 95.5 | Very high | 95.7 | Very high | 101 Ų | 101 | 41 Ų | 41 | 38% | 0.381 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 179.6 | -67.2 | 177.9 | -170.2 | 164.6 | 7.5 | 111.8 | R183 F184 E185 N296 K297 L302 | R183-R300 HydrophobicContact CB-CG 4.21Å; R183-R300 WeakPolarHBondContact O-CB 3.33Å; R183-R300 VanDerWaalsContact O-CG 3.23Å; R183-R300 WeakPolarHBondContact O-CG 3.46Å; F184-R300 CarbonylContact C-O 3.59Å; F184-R300 WeakPolarHBondContact CA-O 3.38Å; E185-R300 WeakPolarHBondContact CB-O 3.3Å; E185-R300 PolarHBondContact N-O 3.23Å; N296-R300 VanDerWaalsContact O-CG 3.29Å; N296-R300 WeakPolarHBondContact O-CG 3.49Å; N296-R300 PolarHBondContact O-N 3.39Å; K297-R300 WeakPolarHBondContact O-CB 3.22Å; K297-R300 PolarHBondContact O-N 2.87Å; K297-R300 VanDerWaalsContact O-N 3.09Å; R300-L302 VanDerWaalsContact C-N 3.26Å; R300-L302 PolarHBondContact O-N 3.34Å |
| 301 | D | 97 | Very high | 95.8 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 6 | -178.7 | -68.5 | -32.3 | 0 | 0 | 0 | 113.1 | K297 D298 V299 F303 V304 D305 | K297-D301 PolarHBondContact O-N 3.32Å; D298-D301 CarbonylContact O-C 3.57Å; D298-D301 PolarHBondContact O-N 2.96Å; V299-D301 VanDerWaalsContact C-N 3.3Å; V299-D301 PolarHBondContact O-N 2.94Å; D301-F303 PolarHBondContact O-N 2.82Å; D301-V304 WeakPolarHBondContact O-CA 3.42Å; D301-V304 VanDerWaalsContact O-CB 3.3Å; D301-V304 WeakPolarHBondContact O-CB 3.46Å; D301-V304 PolarHBondContact O-N 3.04Å; D301-D305 PolarHBondContact O-N 3.18Å |
| 302 | L | 97.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -48.3 | -53.4 | -174.8 | 172.9 | 65.7 | 0 | 0 | 0 | 113.2 | F184 M206 W210 V289 L293 D298 V299 R300 V304 D305 L306 | F184-L302 HydrophobicContact CD1-CB 4.37Å; F184-L302 HydrophobicContact CE1-CB 4.24Å; F184-L302 HydrophobicContact CE1-CD2 4.09Å; M206-L302 HydrophobicContact CE-CD2 3.52Å; M206-L302 HydrophobicContact SD-CD2 4.05Å; W210-L302 HydrophobicContact CH2-CD2 4.39Å; W210-L302 HydrophobicContact CZ3-CD2 3.87Å; V289-L302 HydrophobicContact CG1-CD1 3.75Å; L293-L302 HydrophobicContact CD1-CD1 4.32Å; L293-L302 HydrophobicContact CD2-CD1 3.88Å; D298-L302 PolarHBondContact O-N 3.05Å; V299-L302 WeakPolarHBondContact O-CB 3.23Å; V299-L302 PolarHBondContact O-N 3.4Å; R300-L302 VanDerWaalsContact C-N 3.26Å; R300-L302 PolarHBondContact O-N 3.34Å; L302-V304 VanDerWaalsContact C-N 3.31Å; L302-V304 PolarHBondContact O-N 3.39Å; L302-D305 PolarHBondContact O-N 3.43Å; L302-L306 HydrophobicContact CD1-CD1 4.02Å; L302-L306 HydrophobicContact CD1-CD2 4.32Å; L302-L306 HydrophobicContact CD1-CG 3.98Å; L302-L306 HydrophobicContact CG-CD1 4.11Å; L302-L306 HydrophobicContact CG-CG 4.4Å; L302-L306 VanDerWaalsContact O-CG 3.29Å; L302-L306 WeakPolarHBondContact O-CG 3.41Å; L302-L306 PolarHBondContact O-N 3.09Å |
| 303 | F | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -35.1 | -177.9 | -67.9 | -77.8 | 0 | 0 | 0 | 112.8 | F179 F184 L191 F199 C202 M206 D301 V307 L361 | F179-F303 HydrophobicContact CE1-CD2 4.21Å; F179-F303 AromaticContact CE1-CE2 3.67Å; F179-F303 HydrophobicContact CE1-CE2 3.67Å; F179-F303 HydrophobicContact CE1-CZ 4.26Å; F179-F303 HydrophobicContact CE2-CE2 4.28Å; F179-F303 HydrophobicContact CE2-CZ 4.3Å; F179-F303 HydrophobicContact CZ-CD2 4.26Å; F179-F303 AromaticContact CZ-CE2 3.34Å; F179-F303 HydrophobicContact CZ-CE2 3.34Å; F179-F303 AromaticContact CZ-CZ 3.51Å; F179-F303 HydrophobicContact CZ-CZ 3.51Å; F184-F303 HydrophobicContact CB-CD2 4.1Å; F184-F303 HydrophobicContact CB-CE2 4.11Å; F184-F303 HydrophobicContact CD1-CD2 4.05Å; F184-F303 AromaticContact CD1-CE2 3.84Å; F184-F303 HydrophobicContact CD1-CE2 3.84Å; F184-F303 HydrophobicContact CD2-CE2 4.23Å; F184-F303 HydrophobicContact CE1-CE2 4.35Å; F184-F303 HydrophobicContact CG-CD2 4.16Å; F184-F303 AromaticContact CG-CE2 3.8Å; F184-F303 HydrophobicContact CG-CE2 3.8Å; L191-F303 HydrophobicContact CD1-CB 4.08Å; L191-F303 HydrophobicContact CD2-CB 4.43Å; F199-F303 HydrophobicContact CD1-CD1 4.14Å; F199-F303 HydrophobicContact CD1-CD2 4.41Å; F199-F303 HydrophobicContact CD1-CE1 4.19Å; F199-F303 HydrophobicContact CD1-CE2 4.45Å; F199-F303 HydrophobicContact CD1-CG 4.27Å; F199-F303 HydrophobicContact CD1-CZ 4.35Å; F199-F303 HydrophobicContact CE1-CB 4.22Å; F199-F303 HydrophobicContact CE1-CD1 4.01Å; F199-F303 HydrophobicContact CE1-CD2 4.3Å; F199-F303 AromaticContact CE1-CG 3.9Å; F199-F303 HydrophobicContact CE1-CG 3.9Å; C202-F303 HydrophobicContact CB-CE1 3.56Å; C202-F303 HydrophobicContact CB-CZ 3.82Å; M206-F303 HydrophobicContact SD-CZ 4.03Å; D301-F303 PolarHBondContact O-N 2.82Å; F303-V307 WeakPolarHBondContact O-CG2 3.36Å; F303-V307 PolarHBondContact O-N 3.18Å; F303-V307 VanDerWaalsContact O-N 3.09Å; F303-L361 HydrophobicContact CD1-CD1 4.02Å; F303-L361 HydrophobicContact CD1-CD2 4.06Å |
| 304 | V | 97.9 | Very high | 96 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 173.7 | 171.6 | 0 | 0 | 0 | 0 | 109.4 | E185 K188 K190 L191 D301 L302 V307 E308 | E185-V304 HydrophobicContact CB-CG2 4.41Å; E185-V304 HydrophobicContact CG-CG2 3.94Å; K188-V304 HydrophobicContact CB-CG2 4.2Å; K188-V304 HydrophobicContact CG-CG2 3.74Å; K190-V304 HydrophobicContact CD-CG1 4.01Å; L191-V304 HydrophobicContact CD1-CG2 3.74Å; L191-V304 HydrophobicContact CG-CG2 4.35Å; D301-V304 WeakPolarHBondContact O-CA 3.42Å; D301-V304 VanDerWaalsContact O-CB 3.3Å; D301-V304 WeakPolarHBondContact O-CB 3.46Å; D301-V304 PolarHBondContact O-N 3.04Å; L302-V304 VanDerWaalsContact C-N 3.31Å; L302-V304 PolarHBondContact O-N 3.39Å; V304-V307 PolarHBondContact O-N 2.75Å; V304-E308 WeakPolarHBondContact O-CB 3.36Å; V304-E308 WeakPolarHBondContact O-CG 3.43Å; V304-E308 PolarHBondContact O-N 3Å |
| 305 | D | 98 | Very high | 96.2 | Very high | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -41.2 | -179.8 | -83.6 | -17.3 | 0 | 0 | 0 | 112.4 | V289 D301 L302 V307 E308 K309 | V289-D305 HydrophobicContact CG2-CB 3.88Å; D301-D305 PolarHBondContact O-N 3.18Å; L302-D305 PolarHBondContact O-N 3.43Å; D305-V307 VanDerWaalsContact C-N 3.32Å; D305-V307 PolarHBondContact O-N 3.35Å; D305-E308 PolarHBondContact O-N 3.39Å; D305-K309 VanDerWaalsContact O-CB 3.26Å; D305-K309 WeakPolarHBondContact O-CB 3.46Å; D305-K309 VanDerWaalsContact O-CG 3.23Å; D305-K309 WeakPolarHBondContact O-CG 3.29Å; D305-K309 PolarHBondContact O-N 2.97Å |
| 306 | L | 98.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.4 | -68.4 | 178.8 | 0 | 0 | 0 | 111.8 | V289 L302 F310 V311 L354 L358 L361 | V289-L306 HydrophobicContact CG1-CD2 4.1Å; L302-L306 HydrophobicContact CD1-CD1 4.02Å; L302-L306 HydrophobicContact CD1-CD2 4.32Å; L302-L306 HydrophobicContact CD1-CG 3.98Å; L302-L306 HydrophobicContact CG-CD1 4.11Å; L302-L306 HydrophobicContact CG-CG 4.4Å; L302-L306 VanDerWaalsContact O-CG 3.29Å; L302-L306 WeakPolarHBondContact O-CG 3.41Å; L302-L306 PolarHBondContact O-N 3.09Å; L306-F310 WeakPolarHBondContact O-CB 3.39Å; L306-F310 PolarHBondContact O-N 3.27Å; L306-F310 VanDerWaalsContact O-N 3.16Å; L306-V311 PolarHBondContact O-N 3.06Å; L306-L354 HydrophobicContact CD1-CD1 3.8Å; L306-L354 HydrophobicContact CD2-CD1 3.39Å; L306-L354 HydrophobicContact CD2-CD2 4.19Å; L306-L354 HydrophobicContact CD2-CG 4.08Å; L306-L354 HydrophobicContact CG-CD1 4.22Å; L306-L358 HydrophobicContact CB-CD2 3.94Å; L306-L358 HydrophobicContact CD2-CD2 4.11Å; L306-L358 HydrophobicContact CG-CD2 4.42Å; L306-L361 HydrophobicContact CB-CD1 4.18Å; L306-L361 HydrophobicContact CD1-CD1 4.09Å |
| 307 | V | 97.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -66.1 | -45.8 | 177.2 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | K190 L191 Y193 F303 V304 D305 V311 E312 | K190-V307 HydrophobicContact CB-CG1 4.47Å; K190-V307 HydrophobicContact CD-CG1 4.25Å; K190-V307 HydrophobicContact CG-CG1 4.47Å; L191-V307 HydrophobicContact CD2-CB 4.15Å; L191-V307 HydrophobicContact CD2-CG2 3.64Å; Y193-V307 WeakPolarHBondContact OH-CG2 3.31Å; F303-V307 WeakPolarHBondContact O-CG2 3.36Å; F303-V307 PolarHBondContact O-N 3.18Å; F303-V307 VanDerWaalsContact O-N 3.09Å; V304-V307 PolarHBondContact O-N 2.75Å; D305-V307 VanDerWaalsContact C-N 3.32Å; D305-V307 PolarHBondContact O-N 3.35Å; V307-V311 HydrophobicContact CB-CB 4.48Å; V307-V311 HydrophobicContact CG1-CB 4.43Å; V307-V311 HydrophobicContact CG2-CB 4.47Å; V307-V311 HydrophobicContact CG2-CG2 4.31Å; V307-V311 PolarHBondContact O-N 3.18Å; V307-E312 HydrophobicContact CG1-CG 3.9Å; V307-E312 WeakPolarHBondContact O-CB 3.37Å; V307-E312 WeakPolarHBondContact O-CG 3.33Å; V307-E312 PolarHBondContact O-N 3.48Å |
| 308 | E | 97.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 40.2 Ų | 40.2 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -66.5 | -44 | -179.8 | -79.9 | -172.2 | -177.9 | 0 | 0 | 114.8 | K190 V304 D305 P313 | K190-E308 HydrophobicContact CD-CG 3.87Å; K190-E308 WeakPolarHBondContact CE-OE1 3.26Å; K190-E308 IonicContact NZ-OE1 2.6Å; K190-E308 PolarHBondContact NZ-OE1 3.34Å; V304-E308 WeakPolarHBondContact O-CB 3.36Å; V304-E308 WeakPolarHBondContact O-CG 3.43Å; V304-E308 PolarHBondContact O-N 3Å; D305-E308 PolarHBondContact O-N 3.39Å; E308-P313 WeakPolarHBondContact O-CD 3.44Å |
| 309 | K | 97.6 | Very high | 96.8 | Very high | 81 Ų | 81 | 39 Ų | 39 | 35% | 0.352 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -89.8 | -15.1 | -168.8 | -56.4 | -47.7 | 177.7 | -128.3 | 0 | 112.6 | V289 D305 | V289-K309 HydrophobicContact CG2-CB 4.47Å; V289-K309 HydrophobicContact CG2-CG 4.22Å; D305-K309 VanDerWaalsContact O-CB 3.26Å; D305-K309 WeakPolarHBondContact O-CB 3.46Å; D305-K309 VanDerWaalsContact O-CG 3.23Å; D305-K309 WeakPolarHBondContact O-CG 3.29Å; D305-K309 PolarHBondContact O-N 2.97Å |
| 310 | F | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -133.3 | -56.7 | -177.9 | -171.3 | -90.3 | 0 | 0 | 0 | 113.7 | L282 L286 L306 P313 C314 V324 F327 L328 L358 | L282-F310 HydrophobicContact CB-CD2 4.43Å; L282-F310 HydrophobicContact CB-CE2 4.48Å; L282-F310 HydrophobicContact CD1-CE2 4.44Å; L282-F310 HydrophobicContact CD2-CD2 3.89Å; L282-F310 HydrophobicContact CD2-CE2 4.23Å; L286-F310 HydrophobicContact CD1-CD2 4.02Å; L286-F310 HydrophobicContact CD1-CE2 4.13Å; L286-F310 HydrophobicContact CD2-CB 4.07Å; L286-F310 HydrophobicContact CD2-CD2 3.73Å; L286-F310 HydrophobicContact CD2-CG 4.05Å; L286-F310 HydrophobicContact CG-CD2 4Å; L306-F310 WeakPolarHBondContact O-CB 3.39Å; L306-F310 PolarHBondContact O-N 3.27Å; L306-F310 VanDerWaalsContact O-N 3.16Å; F310-P313 WeakPolarHBondContact O-CD 3.34Å; F310-C314 PolarHBondContact O-N 3.31Å; F310-C314 PolarHBondContact O-SG 3.36Å; F310-V324 HydrophobicContact CE1-CG1 3.8Å; F310-V324 HydrophobicContact CZ-CG1 4.16Å; F310-F327 HydrophobicContact CE2-CD1 4.09Å; F310-F327 AromaticContact CE2-CE1 3.76Å; F310-F327 HydrophobicContact CE2-CE1 3.76Å; F310-F327 HydrophobicContact CZ-CD1 4.03Å; F310-F327 HydrophobicContact CZ-CE1 4.19Å; F310-L328 HydrophobicContact CE1-CD1 4.13Å; F310-L328 HydrophobicContact CE1-CD2 4.19Å; F310-L328 HydrophobicContact CE1-CG 4.32Å; F310-L328 HydrophobicContact CE2-CD2 3.87Å; F310-L328 HydrophobicContact CZ-CD1 4.12Å; F310-L328 HydrophobicContact CZ-CD2 3.53Å; F310-L328 HydrophobicContact CZ-CG 3.8Å; F310-L358 HydrophobicContact CB-CD2 3.97Å; F310-L358 HydrophobicContact CD1-CB 4.36Å; F310-L358 HydrophobicContact CD1-CD1 3.96Å; F310-L358 HydrophobicContact CD1-CD2 3.71Å; F310-L358 HydrophobicContact CD1-CG 4.23Å; F310-L358 HydrophobicContact CD2-CD1 4.48Å; F310-L358 HydrophobicContact CE1-CB 4.43Å; F310-L358 HydrophobicContact CE1-CD1 4.23Å; F310-L358 HydrophobicContact CG-CD1 4.08Å; F310-L358 HydrophobicContact CG-CD2 4.03Å |
| 311 | V | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -65.8 | -50.5 | -172.3 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | L306 V307 C314 R315 L358 L361 Y362 | L306-V311 PolarHBondContact O-N 3.06Å; V307-V311 HydrophobicContact CB-CB 4.48Å; V307-V311 HydrophobicContact CG1-CB 4.43Å; V307-V311 HydrophobicContact CG2-CB 4.47Å; V307-V311 HydrophobicContact CG2-CG2 4.31Å; V307-V311 PolarHBondContact O-N 3.18Å; V311-C314 PolarHBondContact O-N 3.15Å; V311-R315 HydrophobicContact CG1-CG 4.17Å; V311-R315 WeakPolarHBondContact O-CG 3.14Å; V311-R315 PolarHBondContact O-N 3.02Å; V311-L358 HydrophobicContact CG2-CD2 4.28Å; V311-L361 HydrophobicContact CG2-CB 4.32Å; V311-Y362 HydrophobicContact CG1-CD2 3.86Å; V311-Y362 HydrophobicContact CG1-CE2 4.3Å |
| 312 | E | 96.5 | Very high | 96.9 | Very high | 71 Ų | 71 | 39.9 Ų | 39.9 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.5 | -46.5 | -179.5 | -76.4 | 174 | -176.1 | 0 | 0 | 112.3 | K190 V307 C314 R315 S316 | K190-E312 IonicContact NZ-OE1 3.32Å; K190-E312 PolarHBondContact NZ-OE1 3.24Å; K190-E312 IonicContact NZ-OE2 2.88Å; K190-E312 PolarHBondContact NZ-OE2 3.4Å; V307-E312 HydrophobicContact CG1-CG 3.9Å; V307-E312 WeakPolarHBondContact O-CB 3.37Å; V307-E312 WeakPolarHBondContact O-CG 3.33Å; V307-E312 PolarHBondContact O-N 3.48Å; E312-C314 PolarHBondContact O-N 2.94Å; E312-R315 PolarHBondContact O-N 3.05Å; E312-S316 WeakPolarHBondContact O-CB 3.33Å; E312-S316 PolarHBondContact O-N 2.78Å; E312-S316 PolarHBondContact O-OG 3.25Å |
| 313 | P | 96.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 27% | 0.266 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.1 | -50 | 171.8 | -28.6 | 33.8 | 0 | 0 | 0 | 113.5 | L282 E308 F310 R315 S316 D317 | L282-P313 HydrophobicContact CD2-CB 3.97Å; L282-P313 HydrophobicContact CD2-CG 4.48Å; E308-P313 WeakPolarHBondContact O-CD 3.44Å; F310-P313 WeakPolarHBondContact O-CD 3.34Å; P313-R315 PolarHBondContact O-N 3.37Å; P313-S316 PolarHBondContact O-N 2.7Å; P313-D317 PolarHBondContact O-N 3.3Å |
| 314 | C | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -36.4 | -179.7 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | F310 V311 E312 H318 W319 V324 Y362 | F310-C314 PolarHBondContact O-N 3.31Å; F310-C314 PolarHBondContact O-SG 3.36Å; V311-C314 PolarHBondContact O-N 3.15Å; E312-C314 PolarHBondContact O-N 2.94Å; C314-H318 PolarHBondContact O-N 2.88Å; C314-W319 HydrophobicContact CB-CB 4.31Å; C314-W319 HydrophobicContact CB-CD2 4.29Å; C314-W319 HydrophobicContact CB-CG 4.21Å; C314-W319 WeakPolarHBondContact O-CB 3.41Å; C314-W319 PolarHBondContact O-N 3.46Å; C314-V324 HydrophobicContact CB-CG2 4.41Å; C314-Y362 HydrophobicContact CB-CE2 3.7Å; C314-Y362 PolarHBondContact O-OH 3.09Å |
| 315 | R | 95.4 | Very high | 96.8 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 30% | 0.298 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.2 | -36.5 | 175.1 | -71.9 | -175.2 | 86.3 | 173.1 | 9.4 | 112.3 | V311 E312 P313 D317 H318 Y362 H363 D364 | V311-R315 HydrophobicContact CG1-CG 4.17Å; V311-R315 WeakPolarHBondContact O-CG 3.14Å; V311-R315 PolarHBondContact O-N 3.02Å; E312-R315 PolarHBondContact O-N 3.05Å; P313-R315 PolarHBondContact O-N 3.37Å; R315-D317 PolarHBondContact O-N 2.88Å; R315-H318 WeakPolarHBondContact O-CA 3.47Å; R315-H318 PolarHBondContact O-N 2.82Å; R315-Y362 HydrophobicContact CG-CD2 4.41Å; R315-Y362 HydrophobicContact CG-CE1 4.44Å; R315-Y362 HydrophobicContact CG-CE2 3.6Å; R315-Y362 WeakPolarHBondContact CG-OH 3.28Å; R315-H363 PolarHBondContact NE-O 3.47Å; R315-H363 PolarHBondContact NH1-O 3.07Å; R315-H363 PolarHBondContact NH2-O 2.98Å; R315-D364 PolarHBondContact NH2-O 3.47Å; R315-D364 PolarHBondContact NH2-OXT 3.11Å |
| 316 | S | 94.9 | Very high | 96.8 | Very high | 83 Ų | 83 | 49.3 Ų | 49.3 | 58% | 0.58 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.7 | -34.9 | 177.8 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | E312 P313 H318 | E312-S316 WeakPolarHBondContact O-CB 3.33Å; E312-S316 PolarHBondContact O-N 2.78Å; E312-S316 PolarHBondContact O-OG 3.25Å; P313-S316 PolarHBondContact O-N 2.7Å; S316-H318 VanDerWaalsContact C-N 3.32Å; S316-H318 PolarHBondContact O-CE1 3Å; S316-H318 PolarHBondContact O-ND1 3.07Å |
| 317 | D | 94.9 | Very high | 96.8 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 10.6 | 174.7 | -66.8 | -25.1 | 0 | 0 | 0 | 113.2 | E274 N278 P313 R315 W319 | E274-D317 HydrophobicContact CB-CB 4.22Å; E274-D317 HydrophobicContact CG-CB 4.32Å; N278-D317 PolarHBondContact ND2-OD2 3.36Å; P313-D317 PolarHBondContact O-N 3.3Å; R315-D317 PolarHBondContact O-N 2.88Å; D317-W319 VanDerWaalsContact C-N 3.33Å; D317-W319 PolarHBondContact O-N 2.99Å |
| 318 | H | 94.9 | Very high | 96.8 | Very high | 159 Ų | 159 | 49.1 Ų | 49.1 | 74% | 0.736 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 40.1 | 174.5 | -54 | 72.8 | 0 | 0 | 0 | 114.2 | C314 R315 S316 | C314-H318 PolarHBondContact O-N 2.88Å; R315-H318 WeakPolarHBondContact O-CA 3.47Å; R315-H318 PolarHBondContact O-N 2.82Å; S316-H318 VanDerWaalsContact C-N 3.32Å; S316-H318 PolarHBondContact O-CE1 3Å; S316-H318 PolarHBondContact O-ND1 3.07Å |
| 319 | W | 97 | Very high | 96.8 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | trans | -66.9 | 128.2 | 178.4 | -70.6 | 32.3 | 0 | 0 | 0 | 110.5 | V271 M275 L282 C314 D317 V324 F327 Y362 | V271-W319 HydrophobicContact CB-CD2 4.48Å; V271-W319 HydrophobicContact CB-CG 4.26Å; V271-W319 HydrophobicContact CG1-CG 4.45Å; V271-W319 HydrophobicContact CG2-CB 4.15Å; V271-W319 HydrophobicContact CG2-CD2 3.5Å; V271-W319 VanDerWaalsContact CG2-CD2 3.5Å; V271-W319 HydrophobicContact CG2-CE3 3.98Å; V271-W319 HydrophobicContact CG2-CG 3.54Å; M275-W319 VanDerWaalsContact CA-CH2 3.48Å; M275-W319 HydrophobicContact CB-CH2 3.4Å; M275-W319 VanDerWaalsContact CB-CH2 3.4Å; M275-W319 HydrophobicContact CB-CZ2 3.59Å; M275-W319 HydrophobicContact CB-CZ3 4.11Å; M275-W319 HydrophobicContact CG-CH2 3.44Å; M275-W319 VanDerWaalsContact CG-CH2 3.44Å; M275-W319 HydrophobicContact CG-CZ2 4.16Å; M275-W319 HydrophobicContact CG-CZ3 3.97Å; L282-W319 HydrophobicContact CD1-CH2 3.71Å; L282-W319 HydrophobicContact CD1-CZ2 4.17Å; C314-W319 HydrophobicContact CB-CB 4.31Å; C314-W319 HydrophobicContact CB-CD2 4.29Å; C314-W319 HydrophobicContact CB-CG 4.21Å; C314-W319 WeakPolarHBondContact O-CB 3.41Å; C314-W319 PolarHBondContact O-N 3.46Å; D317-W319 VanDerWaalsContact C-N 3.33Å; D317-W319 PolarHBondContact O-N 2.99Å; W319-V324 HydrophobicContact CB-CG2 3.85Å; W319-V324 HydrophobicContact CE3-CG2 4.14Å; W319-F327 HydrophobicContact CH2-CD2 4.42Å; W319-F327 HydrophobicContact CH2-CG 4.41Å; W319-F327 HydrophobicContact CZ3-CB 3.9Å; W319-F327 HydrophobicContact CZ3-CD1 4.34Å; W319-F327 HydrophobicContact CZ3-CD2 4.3Å; W319-F327 AromaticContact CZ3-CG 3.89Å; W319-F327 HydrophobicContact CZ3-CG 3.89Å; W319-Y362 PolarHBondContact O-OH 3.35Å | ||
| 320 | P | 96.3 | Very high | 96.8 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 33% | 0.331 | 24% | 0.242 | S | C | . | . | trans | -68.2 | 147.9 | 171.5 | 28.1 | -32.8 | 0 | 0 | 0 | 110 | S322 D323 V324 | P320-S322 PolarHBondContact O-N 3.43Å; P320-D323 HydrophobicContact CG-CB 3.79Å; P320-D323 VanDerWaalsContact CG-CG 3.5Å; P320-D323 PolarHBondContact O-N 3.13Å; P320-V324 PolarHBondContact O-N 3.15Å; P320-V324 VanDerWaalsContact O-N 3.13Å | ||
| 321 | L | 96.4 | Very high | 96.8 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 27% | 0.272 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -52.7 | -31.6 | 178.1 | 179.5 | 63.7 | 0 | 0 | 0 | 113.4 | R325 L359 Y362 | L321-R325 WeakPolarHBondContact O-CB 3.34Å; L321-R325 PolarHBondContact O-N 2.95Å; L321-L359 HydrophobicContact CD1-CD2 4.01Å; L321-Y362 HydrophobicContact CB-CD1 4.28Å; L321-Y362 HydrophobicContact CD1-CD1 3.83Å; L321-Y362 HydrophobicContact CD1-CG 4.19Å |
| 322 | S | 96.2 | Very high | 96.8 | Very high | 62 Ų | 62 | 48.3 Ų | 48.3 | 43% | 0.434 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 173.4 | 54 | 0 | 0 | 0 | 0 | 112.5 | P320 R325 F326 | P320-S322 PolarHBondContact O-N 3.43Å; S322-R325 WeakPolarHBondContact O-CB 3.42Å; S322-R325 PolarHBondContact O-N 2.8Å; S322-F326 WeakPolarHBondContact O-CD2 3.41Å; S322-F326 PolarHBondContact O-N 2.9Å |
| 323 | D | 96.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 5% | 0.048 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73 | -38 | -178.2 | -73.9 | 11.6 | 0 | 0 | 0 | 110.9 | L269 G270 V271 P320 R325 F326 F327 | L269-D323 HydrophobicContact CD2-CB 3.88Å; G270-D323 PolarHBondContact N-OD2 3.49Å; V271-D323 HydrophobicContact CG2-CB 3.88Å; V271-D323 WeakPolarHBondContact CG2-OD2 3.39Å; V271-D323 PolarHBondContact N-OD2 2.91Å; P320-D323 HydrophobicContact CG-CB 3.79Å; P320-D323 VanDerWaalsContact CG-CG 3.5Å; P320-D323 PolarHBondContact O-N 3.13Å; D323-R325 VanDerWaalsContact C-N 3.29Å; D323-R325 PolarHBondContact O-N 2.98Å; D323-F326 PolarHBondContact O-N 3.04Å; D323-F327 VanDerWaalsContact O-CB 3.32Å; D323-F327 WeakPolarHBondContact O-CB 3.4Å; D323-F327 PolarHBondContact O-N 3.43Å |
| 324 | V | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.7 | -44.3 | 170.5 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | F310 C314 W319 P320 F327 L328 L359 Y362 | F310-V324 HydrophobicContact CE1-CG1 3.8Å; F310-V324 HydrophobicContact CZ-CG1 4.16Å; C314-V324 HydrophobicContact CB-CG2 4.41Å; W319-V324 HydrophobicContact CB-CG2 3.85Å; W319-V324 HydrophobicContact CE3-CG2 4.14Å; P320-V324 PolarHBondContact O-N 3.15Å; P320-V324 VanDerWaalsContact O-N 3.13Å; V324-F327 PolarHBondContact O-N 2.95Å; V324-L328 HydrophobicContact CG1-CD1 3.97Å; V324-L328 HydrophobicContact CG1-CG 4.47Å; V324-L328 WeakPolarHBondContact O-CB 3.4Å; V324-L328 WeakPolarHBondContact O-CG 3.48Å; V324-L328 PolarHBondContact O-N 3.44Å; V324-L359 HydrophobicContact CG1-CD2 4.09Å; V324-Y362 HydrophobicContact CG1-CD2 4.39Å; V324-Y362 HydrophobicContact CG2-CD1 4.46Å; V324-Y362 HydrophobicContact CG2-CD2 4.12Å; V324-Y362 HydrophobicContact CG2-CE1 4.17Å; V324-Y362 HydrophobicContact CG2-CE2 3.83Å; V324-Y362 HydrophobicContact CG2-CG 4.44Å |
| 325 | R | 97.4 | Very high | 96.7 | Very high | 124 Ų | 124 | 45.9 Ų | 45.9 | 47% | 0.468 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 176.6 | -176.4 | -176.5 | -61.9 | -108.7 | -1.9 | 112.4 | L321 S322 D323 N329 L359 | L321-R325 WeakPolarHBondContact O-CB 3.34Å; L321-R325 PolarHBondContact O-N 2.95Å; S322-R325 WeakPolarHBondContact O-CB 3.42Å; S322-R325 PolarHBondContact O-N 2.8Å; D323-R325 VanDerWaalsContact C-N 3.29Å; D323-R325 PolarHBondContact O-N 2.98Å; R325-N329 WeakPolarHBondContact O-CB 3.15Å; R325-N329 PolarHBondContact O-N 3.49Å; R325-N329 PolarHBondContact O-ND2 3.36Å; R325-L359 HydrophobicContact CB-CD1 4.44Å; R325-L359 HydrophobicContact CB-CD2 3.83Å; R325-L359 HydrophobicContact CG-CD1 4.12Å; R325-L359 HydrophobicContact CG-CD2 4.41Å |
| 326 | F | 97.4 | Very high | 96.6 | Very high | 99 Ų | 99 | 45.6 Ų | 45.6 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.9 | -76.2 | -54.2 | 0 | 0 | 0 | 111.8 | L265 L269 S322 D323 N329 Q330 | L265-F326 HydrophobicContact CD2-CB 4.1Å; L269-F326 HydrophobicContact CD2-CB 3.62Å; L269-F326 HydrophobicContact CD2-CD2 4.22Å; L269-F326 HydrophobicContact CD2-CG 4.33Å; S322-F326 WeakPolarHBondContact O-CD2 3.41Å; S322-F326 PolarHBondContact O-N 2.9Å; D323-F326 PolarHBondContact O-N 3.04Å; F326-N329 PolarHBondContact O-N 3.39Å; F326-Q330 WeakPolarHBondContact O-CG 3.08Å; F326-Q330 PolarHBondContact O-N 3.06Å |
| 327 | F | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -57 | 175.4 | 173.4 | -96.5 | 0 | 0 | 0 | 111.2 | V261 L265 M275 F279 L282 F310 W319 D323 V324 N329 Q330 Y331 | V261-F327 HydrophobicContact CG1-CD2 4.46Å; V261-F327 HydrophobicContact CG1-CE2 4.42Å; L265-F327 HydrophobicContact CD1-CD2 4.36Å; M275-F327 HydrophobicContact CG-CD2 3.54Å; M275-F327 HydrophobicContact CG-CE2 4.01Å; M275-F327 HydrophobicContact CG-CG 4.42Å; M275-F327 HydrophobicContact SD-CD2 3.9Å; M275-F327 HydrophobicContact SD-CE2 4.03Å; F279-F327 AromaticContact CD2-CE2 3.82Å; F279-F327 HydrophobicContact CD2-CE2 3.82Å; F279-F327 HydrophobicContact CD2-CZ 4.36Å; F279-F327 HydrophobicContact CE2-CE2 4.05Å; F279-F327 HydrophobicContact CE2-CZ 4.45Å; L282-F327 HydrophobicContact CB-CZ 4.46Å; L282-F327 HydrophobicContact CD1-CE1 4.35Å; L282-F327 HydrophobicContact CD1-CZ 4.24Å; F310-F327 HydrophobicContact CE2-CD1 4.09Å; F310-F327 AromaticContact CE2-CE1 3.76Å; F310-F327 HydrophobicContact CE2-CE1 3.76Å; F310-F327 HydrophobicContact CZ-CD1 4.03Å; F310-F327 HydrophobicContact CZ-CE1 4.19Å; W319-F327 HydrophobicContact CH2-CD2 4.42Å; W319-F327 HydrophobicContact CH2-CG 4.41Å; W319-F327 HydrophobicContact CZ3-CB 3.9Å; W319-F327 HydrophobicContact CZ3-CD1 4.34Å; W319-F327 HydrophobicContact CZ3-CD2 4.3Å; W319-F327 AromaticContact CZ3-CG 3.89Å; W319-F327 HydrophobicContact CZ3-CG 3.89Å; D323-F327 VanDerWaalsContact O-CB 3.32Å; D323-F327 WeakPolarHBondContact O-CB 3.4Å; D323-F327 PolarHBondContact O-N 3.43Å; V324-F327 PolarHBondContact O-N 2.95Å; F327-N329 VanDerWaalsContact C-N 3.29Å; F327-N329 PolarHBondContact O-N 3.01Å; F327-Q330 PolarHBondContact O-N 3.33Å; F327-Y331 HydrophobicContact CE1-CD2 4.43Å; F327-Y331 HydrophobicContact CE1-CG 4.16Å; F327-Y331 HydrophobicContact CE2-CD2 4.47Å; F327-Y331 AromaticContact CZ-CD2 3.87Å; F327-Y331 HydrophobicContact CZ-CD2 3.87Å; F327-Y331 HydrophobicContact CZ-CG 4.03Å; F327-Y331 WeakPolarHBondContact O-CB 3.49Å; F327-Y331 PolarHBondContact O-N 3.48Å |
| 328 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -39.5 | -177.4 | -73.4 | 171.6 | 0 | 0 | 0 | 112.2 | L286 F310 V324 S332 M351 R355 L358 L359 | L286-L328 HydrophobicContact CD1-CD2 4.41Å; F310-L328 HydrophobicContact CE1-CD1 4.13Å; F310-L328 HydrophobicContact CE1-CD2 4.19Å; F310-L328 HydrophobicContact CE1-CG 4.32Å; F310-L328 HydrophobicContact CE2-CD2 3.87Å; F310-L328 HydrophobicContact CZ-CD1 4.12Å; F310-L328 HydrophobicContact CZ-CD2 3.53Å; F310-L328 HydrophobicContact CZ-CG 3.8Å; V324-L328 HydrophobicContact CG1-CD1 3.97Å; V324-L328 HydrophobicContact CG1-CG 4.47Å; V324-L328 WeakPolarHBondContact O-CB 3.4Å; V324-L328 WeakPolarHBondContact O-CG 3.48Å; V324-L328 PolarHBondContact O-N 3.44Å; L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-N 3.12Å; L328-S332 PolarHBondContact O-OG 3.45Å; L328-M351 HydrophobicContact CD2-CE 4.39Å; L328-R355 HydrophobicContact CB-CG 3.95Å; L328-R355 HydrophobicContact CD1-CG 4.3Å; L328-L358 HydrophobicContact CD1-CB 3.92Å; L328-L358 HydrophobicContact CD1-CD1 4.31Å; L328-L358 HydrophobicContact CD2-CD1 3.9Å; L328-L359 HydrophobicContact CD1-CD2 4.07Å; L328-L359 HydrophobicContact CD1-CG 4.03Å |
| 329 | N | 97.6 | Very high | 96.1 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.8 | -49.7 | 176.5 | -77.6 | -23.4 | 0 | 0 | 0 | 112.3 | R325 F326 F327 A333 R355 | R325-N329 WeakPolarHBondContact O-CB 3.15Å; R325-N329 PolarHBondContact O-N 3.49Å; R325-N329 PolarHBondContact O-ND2 3.36Å; F326-N329 PolarHBondContact O-N 3.39Å; F327-N329 VanDerWaalsContact C-N 3.29Å; F327-N329 PolarHBondContact O-N 3.01Å; N329-A333 WeakPolarHBondContact O-CB 3.3Å; N329-A333 PolarHBondContact O-N 2.94Å; N329-A333 VanDerWaalsContact O-N 3.1Å; N329-R355 WeakPolarHBondContact OD1-CD 3.23Å; N329-R355 PolarHBondContact OD1-NH1 3.2Å |
| 330 | Q | 97.8 | Very high | 95.4 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -73.2 | -35.3 | -179.3 | -66.7 | -54.6 | -54.9 | 0 | 0 | 112.1 | V261 A264 L265 F326 F327 A333 S334 | V261-Q330 HydrophobicContact CG1-CB 4.44Å; A264-Q330 HydrophobicContact CB-CG 4.48Å; L265-Q330 HydrophobicContact CD1-CB 4.02Å; L265-Q330 HydrophobicContact CD1-CG 4.35Å; L265-Q330 HydrophobicContact CD2-CB 4.08Å; L265-Q330 HydrophobicContact CD2-CG 3.47Å; L265-Q330 VanDerWaalsContact CD2-CG 3.47Å; L265-Q330 HydrophobicContact CG-CB 4.01Å; L265-Q330 HydrophobicContact CG-CG 3.87Å; F326-Q330 WeakPolarHBondContact O-CG 3.08Å; F326-Q330 PolarHBondContact O-N 3.06Å; F327-Q330 PolarHBondContact O-N 3.33Å; Q330-A333 PolarHBondContact O-N 3.46Å; Q330-S334 VanDerWaalsContact O-CB 3.24Å; Q330-S334 WeakPolarHBondContact O-CB 3.39Å; Q330-S334 PolarHBondContact O-N 3.12Å; Q330-S334 PolarHBondContact O-OG 3.41Å |
| 331 | Y | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.9 | -50.6 | 175.2 | 177.8 | -103.1 | 0 | 0 | 0 | 111 | H257 F279 S283 L286 F327 W347 M351 | H257-Y331 AromaticContact CE1-CD2 3.36Å; H257-Y331 WeakPolarHBondContact CE1-CD2 3.43Å; H257-Y331 AromaticContact CE1-CE2 3.14Å; H257-Y331 WeakPolarHBondContact CE1-CE2 3.43Å; H257-Y331 AromaticContact CE1-CZ 3.81Å; H257-Y331 PolarHBondContact CE1-O 3.12Å; H257-Y331 AromaticContact ND1-CE2 3.66Å; H257-Y331 AromaticContact NE2-CD2 3.93Å; H257-Y331 PolarHBondContact NE2-O 3.19Å; F279-Y331 AromaticContact CE2-CD2 3.91Å; F279-Y331 HydrophobicContact CE2-CD2 3.91Å; F279-Y331 HydrophobicContact CE2-CE2 4.35Å; F279-Y331 AromaticContact CZ-CD2 3.94Å; F279-Y331 HydrophobicContact CZ-CD2 3.94Å; F279-Y331 AromaticContact CZ-CE2 4Å; F279-Y331 HydrophobicContact CZ-CE2 4Å; S283-Y331 WeakPolarHBondContact CA-OH 3.41Å; S283-Y331 WeakPolarHBondContact OG-CE2 3.24Å; L286-Y331 HydrophobicContact CD1-CD1 4.03Å; L286-Y331 HydrophobicContact CD1-CE1 3.55Å; F327-Y331 HydrophobicContact CE1-CD2 4.43Å; F327-Y331 HydrophobicContact CE1-CG 4.16Å; F327-Y331 HydrophobicContact CE2-CD2 4.47Å; F327-Y331 AromaticContact CZ-CD2 3.87Å; F327-Y331 HydrophobicContact CZ-CD2 3.87Å; F327-Y331 HydrophobicContact CZ-CG 4.03Å; F327-Y331 WeakPolarHBondContact O-CB 3.49Å; F327-Y331 PolarHBondContact O-N 3.48Å; Y331-W347 HydrophobicContact CD1-CH2 4.33Å; Y331-W347 HydrophobicContact CD1-CZ2 4.11Å; Y331-W347 AromaticContact CE1-CH2 3.45Å; Y331-W347 HydrophobicContact CE1-CH2 3.45Å; Y331-W347 VanDerWaalsContact CE1-CH2 3.45Å; Y331-W347 AromaticContact CE1-CZ2 3.68Å; Y331-W347 HydrophobicContact CE1-CZ2 3.68Å; Y331-W347 AromaticContact CZ-CH2 3.76Å; Y331-M351 HydrophobicContact CD1-CE 3.95Å; Y331-M351 HydrophobicContact CE1-CE 4.11Å; Y331-M351 HydrophobicContact CE1-SD 4.4Å |
| 332 | S | 96.9 | Very high | 95 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 176.8 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | L328 W347 M351 | L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-N 3.12Å; L328-S332 PolarHBondContact O-OG 3.45Å; S332-W347 PolarHBondContact O-NE1 2.86Å; S332-M351 WeakPolarHBondContact OG-CB 3.34Å; S332-M351 VanDerWaalsContact OG-CE 3.27Å; S332-M351 WeakPolarHBondContact OG-CE 3.46Å |
| 333 | A | 96.9 | Very high | 94.9 | Very high | 50 Ų | 50 | 50.6 Ų | 50.6 | 41% | 0.413 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.6 | -34.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N329 Q330 V335 H336 | N329-A333 WeakPolarHBondContact O-CB 3.3Å; N329-A333 PolarHBondContact O-N 2.94Å; N329-A333 VanDerWaalsContact O-N 3.1Å; Q330-A333 PolarHBondContact O-N 3.46Å; A333-V335 PolarHBondContact O-N 3.07Å; A333-V335 VanDerWaalsContact O-N 3.15Å; A333-H336 PolarHBondContact O-CD2 3.46Å; A333-H336 PolarHBondContact O-N 3.04Å |
| 334 | S | 96.8 | Very high | 94.8 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -17.3 | -174.5 | -60.2 | 0 | 0 | 0 | 0 | 113.4 | V261 Q330 H336 S337 | V261-S334 WeakPolarHBondContact CG2-OG 3.29Å; Q330-S334 VanDerWaalsContact O-CB 3.24Å; Q330-S334 WeakPolarHBondContact O-CB 3.39Å; Q330-S334 PolarHBondContact O-N 3.12Å; Q330-S334 PolarHBondContact O-OG 3.41Å; S334-H336 VanDerWaalsContact C-N 3.28Å; S334-H336 PolarHBondContact O-N 3.06Å; S334-S337 PolarHBondContact O-N 3.36Å |
| 335 | V | 94.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -65 | -30.5 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | L247 H257 A333 S337 L338 F341 W347 | L247-V335 HydrophobicContact CD1-CG2 4.48Å; L247-V335 HydrophobicContact CD2-CG2 4.07Å; H257-V335 VanDerWaalsContact CE1-CG2 3.44Å; H257-V335 WeakPolarHBondContact CE1-CG2 3.42Å; H257-V335 VanDerWaalsContact NE2-CG2 3.34Å; H257-V335 WeakPolarHBondContact NE2-CG2 3.17Å; A333-V335 PolarHBondContact O-N 3.07Å; A333-V335 VanDerWaalsContact O-N 3.15Å; V335-S337 PolarHBondContact O-N 3.09Å; V335-L338 HydrophobicContact CB-CD1 4.47Å; V335-L338 HydrophobicContact CG1-CD1 4.39Å; V335-L338 HydrophobicContact CG2-CD1 4.45Å; V335-L338 WeakPolarHBondContact O-CB 3.37Å; V335-L338 PolarHBondContact O-N 2.9Å; V335-L338 VanDerWaalsContact O-N 3.08Å; V335-F341 HydrophobicContact CG1-CB 4.32Å; V335-F341 HydrophobicContact CG1-CD1 3.11Å; V335-F341 HydrophobicContact CG1-CD2 4.27Å; V335-F341 HydrophobicContact CG1-CE1 3.27Å; V335-F341 HydrophobicContact CG1-CE2 4.41Å; V335-F341 HydrophobicContact CG1-CG 3.64Å; V335-F341 HydrophobicContact CG1-CZ 3.94Å; V335-W347 HydrophobicContact CB-CZ2 4.45Å; V335-W347 HydrophobicContact CG1-CD2 4.35Å; V335-W347 HydrophobicContact CG1-CG 4.26Å; V335-W347 HydrophobicContact CG2-CD2 4.35Å; V335-W347 HydrophobicContact CG2-CH2 4.27Å; V335-W347 HydrophobicContact CG2-CZ2 3.51Å |
| 336 | H | 94.6 | Very high | 94.4 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 33% | 0.333 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -67.1 | -16.6 | 178 | -61.9 | -74.8 | 0 | 0 | 0 | 113.9 | A333 S334 L338 Q344 D348 | A333-H336 PolarHBondContact O-CD2 3.46Å; A333-H336 PolarHBondContact O-N 3.04Å; S334-H336 VanDerWaalsContact C-N 3.28Å; S334-H336 PolarHBondContact O-N 3.06Å; H336-L338 VanDerWaalsContact C-N 3.31Å; H336-Q344 PolarHBondContact ND1-OE1 3.01Å; H336-D348 IonicContact CE1-OD1 2.64Å; H336-D348 PolarHBondContact CE1-OD1 3.04Å; H336-D348 IonicContact CE1-OD2 3.97Å; H336-D348 PolarHBondContact CE1-OD2 3.12Å; H336-D348 VanDerWaalsContact CE1-OD2 3.27Å; H336-D348 IonicContact NE2-OD1 2.72Å; H336-D348 PolarHBondContact NE2-OD1 3.3Å; H336-D348 IonicContact NE2-OD2 3.61Å |
| 337 | S | 94.8 | Very high | 94.4 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 53% | 0.531 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -90.5 | 7.3 | 175.9 | -56 | 0 | 0 | 0 | 0 | 112.9 | S334 V335 | S334-S337 PolarHBondContact O-N 3.36Å; V335-S337 PolarHBondContact O-N 3.09Å |
| 338 | L | 93.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -98 | 104.5 | 178.1 | -57.3 | 175.5 | 0 | 0 | 0 | 110 | L247 L256 H257 L260 V335 H336 G340 F341 | L247-L338 HydrophobicContact CD1-CD1 3.6Å; L256-L338 HydrophobicContact CB-CD2 4Å; L256-L338 HydrophobicContact CD2-CD2 3.61Å; L256-L338 HydrophobicContact CG-CD2 3.56Å; H257-L338 HydrophobicContact CB-CD1 3.88Å; H257-L338 HydrophobicContact CB-CD2 4.36Å; L260-L338 HydrophobicContact CD1-CD2 3.72Å; L260-L338 HydrophobicContact CD1-CG 4.46Å; V335-L338 HydrophobicContact CB-CD1 4.47Å; V335-L338 HydrophobicContact CG1-CD1 4.39Å; V335-L338 HydrophobicContact CG2-CD1 4.45Å; V335-L338 WeakPolarHBondContact O-CB 3.37Å; V335-L338 PolarHBondContact O-N 2.9Å; V335-L338 VanDerWaalsContact O-N 3.08Å; H336-L338 VanDerWaalsContact C-N 3.31Å; L338-G340 PolarHBondContact O-N 2.95Å; L338-F341 HydrophobicContact CB-CB 3.91Å; L338-F341 PolarHBondContact O-N 2.83Å | ||
| 339 | D | 85.6 | Confident | 94.2 | Very high | 169 Ų | 169 | 54.4 Ų | 54.4 | 90% | 0.904 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.1 | -178.3 | -65.9 | -33.6 | 0 | 0 | 0 | 113.8 | ||
| 340 | G | 81.8 | Confident | 94.1 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L338 | L338-G340 PolarHBondContact O-N 2.95Š|
| 341 | F | 92.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | trans | -98.8 | 103.7 | -175.9 | -171.7 | -95.6 | 0 | 0 | 0 | 111.8 | L244 V246 L247 V335 L338 H343 Q344 W347 | L244-F341 HydrophobicContact CD2-CE2 4.42Å; L244-F341 HydrophobicContact CD2-CZ 3.77Å; V246-F341 HydrophobicContact CG1-CD2 3.9Å; V246-F341 HydrophobicContact CG1-CE2 3.98Å; L247-F341 HydrophobicContact CB-CD2 4.23Å; L247-F341 HydrophobicContact CB-CE2 4Å; L247-F341 HydrophobicContact CD1-CD2 4.43Å; V335-F341 HydrophobicContact CG1-CB 4.32Å; V335-F341 HydrophobicContact CG1-CD1 3.11Å; V335-F341 HydrophobicContact CG1-CD2 4.27Å; V335-F341 HydrophobicContact CG1-CE1 3.27Å; V335-F341 HydrophobicContact CG1-CE2 4.41Å; V335-F341 HydrophobicContact CG1-CG 3.64Å; V335-F341 HydrophobicContact CG1-CZ 3.94Å; L338-F341 HydrophobicContact CB-CB 3.91Å; L338-F341 PolarHBondContact O-N 2.83Å; F341-H343 HydrophobicContact CE1-CB 4.14Å; F341-H343 WeakPolarHBondContact CE1-O 3.42Å; F341-H343 HydrophobicContact CE2-CB 4.46Å; F341-H343 HydrophobicContact CZ-CB 3.93Å; F341-Q344 HydrophobicContact CD1-CG 4.28Å; F341-W347 HydrophobicContact CE1-CB 3.79Å; F341-W347 HydrophobicContact CE1-CG 4.18Å; F341-W347 HydrophobicContact CZ-CB 3.99Å; F341-W347 HydrophobicContact CZ-CD2 4.43Å; F341-W347 HydrophobicContact CZ-CE3 4.27Å; F341-W347 HydrophobicContact CZ-CG 4.36Å | ||
| 342 | R | 91.6 | Very high | 94 | Very high | 222 Ų | 222 | 50.8 Ų | 50.8 | 84% | 0.838 | 29% | 0.287 | S | S | * | . | trans | -93.5 | -5.4 | -172.3 | -61.4 | -175.6 | 179.1 | -171.4 | -0.4 | 115 | Q344 | R342-Q344 PolarHBondContact O-N 3.18Š| ||
| 343 | H | 94.4 | Very high | 93.9 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | trans | -100.1 | 42.4 | -172.6 | -55 | -74.9 | 0 | 0 | 0 | 112.7 | L244 F341 L346 W347 | L244-H343 HydrophobicContact CD2-CB 3.99Å; F341-H343 HydrophobicContact CE1-CB 4.14Å; F341-H343 WeakPolarHBondContact CE1-O 3.42Å; F341-H343 HydrophobicContact CE2-CB 4.46Å; F341-H343 HydrophobicContact CZ-CB 3.93Å; H343-L346 HydrophobicContact CB-CB 4.32Å; H343-L346 HydrophobicContact CB-CD2 4.31Å; H343-L346 PolarHBondContact O-N 3.01Å; H343-W347 WeakPolarHBondContact O-CB 3.42Å; H343-W347 PolarHBondContact O-N 3.08Å | ||
| 344 | Q | 93.5 | Very high | 93.9 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | -172 | -62.5 | -170.1 | 11.3 | 0 | 0 | 112.9 | H336 F341 R342 L346 W347 D348 | H336-Q344 PolarHBondContact ND1-OE1 3.01Å; F341-Q344 HydrophobicContact CD1-CG 4.28Å; R342-Q344 PolarHBondContact O-N 3.18Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 3.16Å; Q344-W347 WeakPolarHBondContact O-CB 3.42Å; Q344-W347 PolarHBondContact O-N 3.38Å; Q344-W347 VanDerWaalsContact O-N 3.16Å; Q344-D348 VanDerWaalsContact O-CG 3.26Å; Q344-D348 PolarHBondContact O-N 2.92Å |
| 345 | A | 93.4 | Very high | 93.9 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 66% | 0.661 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D348 R349 | A345-D348 PolarHBondContact O-N 3.43Å; A345-R349 PolarHBondContact O-N 2.89Å |
| 346 | L | 95.3 | Very high | 94 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 175.5 | -178.7 | 70.5 | 0 | 0 | 0 | 111.4 | F237 D240 L241 E243 L244 H343 Q344 Y350 | F237-L346 HydrophobicContact CD2-CD1 3.62Å; F237-L346 HydrophobicContact CE2-CD1 3.67Å; D240-L346 HydrophobicContact CB-CD1 3.81Å; D240-L346 HydrophobicContact CB-CD2 4.04Å; D240-L346 WeakPolarHBondContact O-CD2 3.44Å; L241-L346 HydrophobicContact CD2-CD1 3.97Å; L241-L346 HydrophobicContact CD2-CG 4.22Å; E243-L346 HydrophobicContact CB-CD2 4.46Å; L244-L346 HydrophobicContact CD2-CB 4.39Å; L244-L346 HydrophobicContact CD2-CD2 3.69Å; L244-L346 HydrophobicContact CD2-CG 3.99Å; L244-L346 HydrophobicContact CG-CD2 3.86Å; L244-L346 HydrophobicContact CG-CG 4.28Å; H343-L346 HydrophobicContact CB-CB 4.32Å; H343-L346 HydrophobicContact CB-CD2 4.31Å; H343-L346 PolarHBondContact O-N 3.01Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 3.16Å; L346-Y350 WeakPolarHBondContact O-CB 3.31Å; L346-Y350 PolarHBondContact O-N 2.92Å |
| 347 | W | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 175.6 | 177.1 | -101.1 | 0 | 0 | 0 | 112.1 | L244 L247 V287 Y331 S332 V335 F341 H343 Q344 Y350 M351 | L244-W347 HydrophobicContact CD1-CE3 4.24Å; L244-W347 HydrophobicContact CD2-CB 4.25Å; L244-W347 HydrophobicContact CD2-CE3 4.19Å; L247-W347 HydrophobicContact CD2-CE3 4.44Å; L247-W347 HydrophobicContact CD2-CH2 3.59Å; L247-W347 HydrophobicContact CD2-CZ2 4.29Å; L247-W347 HydrophobicContact CD2-CZ3 3.69Å; V287-W347 HydrophobicContact CG2-CZ3 4.11Å; Y331-W347 HydrophobicContact CD1-CH2 4.33Å; Y331-W347 HydrophobicContact CD1-CZ2 4.11Å; Y331-W347 AromaticContact CE1-CH2 3.45Å; Y331-W347 HydrophobicContact CE1-CH2 3.45Å; Y331-W347 VanDerWaalsContact CE1-CH2 3.45Å; Y331-W347 AromaticContact CE1-CZ2 3.68Å; Y331-W347 HydrophobicContact CE1-CZ2 3.68Å; Y331-W347 AromaticContact CZ-CH2 3.76Å; S332-W347 PolarHBondContact O-NE1 2.86Å; V335-W347 HydrophobicContact CB-CZ2 4.45Å; V335-W347 HydrophobicContact CG1-CD2 4.35Å; V335-W347 HydrophobicContact CG1-CG 4.26Å; V335-W347 HydrophobicContact CG2-CD2 4.35Å; V335-W347 HydrophobicContact CG2-CH2 4.27Å; V335-W347 HydrophobicContact CG2-CZ2 3.51Å; F341-W347 HydrophobicContact CE1-CB 3.79Å; F341-W347 HydrophobicContact CE1-CG 4.18Å; F341-W347 HydrophobicContact CZ-CB 3.99Å; F341-W347 HydrophobicContact CZ-CD2 4.43Å; F341-W347 HydrophobicContact CZ-CE3 4.27Å; F341-W347 HydrophobicContact CZ-CG 4.36Å; H343-W347 WeakPolarHBondContact O-CB 3.42Å; H343-W347 PolarHBondContact O-N 3.08Å; Q344-W347 WeakPolarHBondContact O-CB 3.42Å; Q344-W347 PolarHBondContact O-N 3.38Å; Q344-W347 VanDerWaalsContact O-N 3.16Å; W347-Y350 PolarHBondContact O-N 3.18Å; W347-M351 HydrophobicContact CD2-CG 3.75Å; W347-M351 VanDerWaalsContact CE2-CG 3.5Å; W347-M351 HydrophobicContact CE3-CG 3.98Å; W347-M351 HydrophobicContact CG-CG 4.44Å; W347-M351 HydrophobicContact CH2-CG 3.81Å; W347-M351 HydrophobicContact CH2-SD 4.15Å; W347-M351 HydrophobicContact CZ2-CG 3.55Å; W347-M351 HydrophobicContact CZ2-SD 4.3Å; W347-M351 HydrophobicContact CZ3-CG 4.01Å; W347-M351 HydrophobicContact CZ3-SD 4.48Å; W347-M351 VanDerWaalsContact O-CB 3.31Å; W347-M351 WeakPolarHBondContact O-CB 3.42Å; W347-M351 PolarHBondContact O-N 3.41Å |
| 348 | D | 95.4 | Very high | 94.4 | Very high | 75 Ų | 75 | 45.4 Ų | 45.4 | 40% | 0.401 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.6 | -44.6 | -179.9 | -68.9 | -22.5 | 0 | 0 | 0 | 111.8 | H336 Q344 A345 Y350 G352 | H336-D348 IonicContact CE1-OD1 2.64Å; H336-D348 PolarHBondContact CE1-OD1 3.04Å; H336-D348 IonicContact CE1-OD2 3.97Å; H336-D348 PolarHBondContact CE1-OD2 3.12Å; H336-D348 VanDerWaalsContact CE1-OD2 3.27Å; H336-D348 IonicContact NE2-OD1 2.72Å; H336-D348 PolarHBondContact NE2-OD1 3.3Å; H336-D348 IonicContact NE2-OD2 3.61Å; Q344-D348 VanDerWaalsContact O-CG 3.26Å; Q344-D348 PolarHBondContact O-N 2.92Å; A345-D348 PolarHBondContact O-N 3.43Å; D348-Y350 PolarHBondContact O-N 2.98Å; D348-G352 VanDerWaalsContact O-CA 3.31Å; D348-G352 WeakPolarHBondContact O-CA 3.3Å; D348-G352 PolarHBondContact O-N 3.04Å |
| 349 | R | 95.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 21% | 0.211 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.1 | -172.5 | 173.8 | 178.1 | -163.2 | -4.8 | 111.6 | N209 W210 T211 D234 F237 A345 T353 | N209-R349 PolarHBondContact O-NE 3.47Å; N209-R349 PolarHBondContact O-NH2 2.74Å; W210-R349 PolarHBondContact NE1-O 3.37Å; T211-R349 PolarHBondContact O-NH2 3.28Å; D234-R349 IonicContact OD2-CZ 3.65Å; D234-R349 VanDerWaalsContact OD2-CZ 3.32Å; D234-R349 IonicContact OD2-NH1 2.84Å; D234-R349 PolarHBondContact OD2-NH1 3.28Å; D234-R349 IonicContact OD2-NH2 3.56Å; D234-R349 PolarHBondContact OD2-NH2 2.87Å; F237-R349 HydrophobicContact CD2-CG 4.2Å; F237-R349 HydrophobicContact CE2-CB 3.9Å; F237-R349 HydrophobicContact CE2-CG 3.63Å; F237-R349 HydrophobicContact CZ-CB 4.4Å; F237-R349 HydrophobicContact CZ-CG 3.92Å; A345-R349 PolarHBondContact O-N 2.89Å; R349-T353 PolarHBondContact O-OG1 2.87Å |
| 350 | Y | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.3 | -60.2 | 177.6 | 178.2 | -115.3 | 0 | 0 | 0 | 112.3 | W210 L241 L244 L286 A290 L293 L346 W347 D348 G352 T353 L354 | W210-Y350 HydrophobicContact CH2-CD2 4.14Å; W210-Y350 AromaticContact CH2-CE2 3.94Å; W210-Y350 HydrophobicContact CH2-CE2 3.94Å; W210-Y350 AromaticContact CZ2-CD2 3.61Å; W210-Y350 HydrophobicContact CZ2-CD2 3.61Å; W210-Y350 AromaticContact CZ2-CE2 3.86Å; W210-Y350 HydrophobicContact CZ2-CE2 3.86Å; L241-Y350 HydrophobicContact CD1-CD2 4.05Å; L241-Y350 HydrophobicContact CD1-CE2 4.38Å; L241-Y350 HydrophobicContact CD2-CD2 3.81Å; L241-Y350 HydrophobicContact CD2-CG 3.84Å; L244-Y350 HydrophobicContact CD1-CD1 3.9Å; L244-Y350 HydrophobicContact CD1-CG 4.15Å; L286-Y350 PolarHBondContact O-OH 3.34Å; A290-Y350 HydrophobicContact CB-CD1 4.17Å; A290-Y350 HydrophobicContact CB-CD2 4.23Å; A290-Y350 HydrophobicContact CB-CE1 3.6Å; A290-Y350 HydrophobicContact CB-CE2 3.69Å; A290-Y350 HydrophobicContact CB-CG 4.45Å; A290-Y350 PolarHBondContact N-OH 3.45Å; L293-Y350 HydrophobicContact CD1-CE2 4.35Å; L346-Y350 WeakPolarHBondContact O-CB 3.31Å; L346-Y350 PolarHBondContact O-N 2.92Å; W347-Y350 PolarHBondContact O-N 3.18Å; D348-Y350 PolarHBondContact O-N 2.98Å; Y350-G352 PolarHBondContact O-N 2.99Å; Y350-T353 PolarHBondContact O-N 3.34Å; Y350-L354 HydrophobicContact CE1-CD2 3.75Å; Y350-L354 HydrophobicContact CE2-CD1 4.26Å; Y350-L354 HydrophobicContact CE2-CD2 4.35Å; Y350-L354 WeakPolarHBondContact O-CB 3.32Å; Y350-L354 PolarHBondContact O-N 3.4Å; Y350-L354 VanDerWaalsContact OH-CD2 3.3Å; Y350-L354 WeakPolarHBondContact OH-CD2 3.32Å |
| 351 | M | 97 | Very high | 95.9 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.7 | -28.6 | -173.5 | -75.8 | -55.5 | -57.4 | 0 | 0 | 113.4 | L286 L328 Y331 S332 W347 T353 L354 R355 | L286-M351 HydrophobicContact CD1-CE 4.34Å; L328-M351 HydrophobicContact CD2-CE 4.39Å; Y331-M351 HydrophobicContact CD1-CE 3.95Å; Y331-M351 HydrophobicContact CE1-CE 4.11Å; Y331-M351 HydrophobicContact CE1-SD 4.4Å; S332-M351 WeakPolarHBondContact OG-CB 3.34Å; S332-M351 VanDerWaalsContact OG-CE 3.27Å; S332-M351 WeakPolarHBondContact OG-CE 3.46Å; W347-M351 HydrophobicContact CD2-CG 3.75Å; W347-M351 VanDerWaalsContact CE2-CG 3.5Å; W347-M351 HydrophobicContact CE3-CG 3.98Å; W347-M351 HydrophobicContact CG-CG 4.44Å; W347-M351 HydrophobicContact CH2-CG 3.81Å; W347-M351 HydrophobicContact CH2-SD 4.15Å; W347-M351 HydrophobicContact CZ2-CG 3.55Å; W347-M351 HydrophobicContact CZ2-SD 4.3Å; W347-M351 HydrophobicContact CZ3-CG 4.01Å; W347-M351 HydrophobicContact CZ3-SD 4.48Å; W347-M351 VanDerWaalsContact O-CB 3.31Å; W347-M351 WeakPolarHBondContact O-CB 3.42Å; W347-M351 PolarHBondContact O-N 3.41Å; M351-T353 VanDerWaalsContact C-N 3.28Å; M351-T353 PolarHBondContact O-N 2.93Å; M351-L354 PolarHBondContact O-N 3.22Å; M351-L354 HydrophobicContact SD-CB 4.39Å; M351-L354 HydrophobicContact SD-CD2 3.93Å; M351-R355 WeakPolarHBondContact O-CB 3.49Å; M351-R355 PolarHBondContact O-N 3.34Å |
| 352 | G | 94.7 | Very high | 96.1 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 35% | 0.351 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.7 | -46 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | D348 Y350 | D348-G352 VanDerWaalsContact O-CA 3.31Å; D348-G352 WeakPolarHBondContact O-CA 3.3Å; D348-G352 PolarHBondContact O-N 3.04Å; Y350-G352 PolarHBondContact O-N 2.99Å |
| 353 | T | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.9 | -52.3 | 175.1 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | L205 M206 N209 W210 R349 Y350 M351 R355 G356 C357 | L205-T353 HydrophobicContact CB-CG2 3.98Å; M206-T353 HydrophobicContact CG-CG2 3.93Å; N209-T353 WeakPolarHBondContact CB-OG1 2.87Å; W210-T353 HydrophobicContact CD2-CG2 4.19Å; W210-T353 HydrophobicContact CG-CG2 4.44Å; W210-T353 HydrophobicContact CZ2-CG2 3.96Å; W210-T353 VanDerWaalsContact NE1-CB 3.28Å; W210-T353 PolarHBondContact NE1-OG1 2.92Å; W210-T353 VanDerWaalsContact NE1-OG1 3.07Å; R349-T353 PolarHBondContact O-OG1 2.87Å; Y350-T353 PolarHBondContact O-N 3.34Å; M351-T353 VanDerWaalsContact C-N 3.28Å; M351-T353 PolarHBondContact O-N 2.93Å; T353-R355 VanDerWaalsContact C-N 3.34Å; T353-R355 PolarHBondContact O-N 2.6Å; T353-G356 PolarHBondContact O-N 3.45Å; T353-G356 VanDerWaalsContact O-N 3.1Å; T353-C357 PolarHBondContact O-N 3.42Å; T353-C357 VanDerWaalsContact O-N 3.09Å; T353-C357 PolarHBondContact O-SG 3.39Å |
| 354 | L | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | -171.9 | -160.6 | 74.9 | 0 | 0 | 0 | 112.8 | W210 L286 L306 Y350 M351 G356 C357 L358 | W210-L354 HydrophobicContact CH2-CD1 4.31Å; L286-L354 HydrophobicContact CD2-CD2 3.77Å; L306-L354 HydrophobicContact CD1-CD1 3.8Å; L306-L354 HydrophobicContact CD2-CD1 3.39Å; L306-L354 HydrophobicContact CD2-CD2 4.19Å; L306-L354 HydrophobicContact CD2-CG 4.08Å; L306-L354 HydrophobicContact CG-CD1 4.22Å; Y350-L354 HydrophobicContact CE1-CD2 3.75Å; Y350-L354 HydrophobicContact CE2-CD1 4.26Å; Y350-L354 HydrophobicContact CE2-CD2 4.35Å; Y350-L354 WeakPolarHBondContact O-CB 3.32Å; Y350-L354 PolarHBondContact O-N 3.4Å; Y350-L354 VanDerWaalsContact OH-CD2 3.3Å; Y350-L354 WeakPolarHBondContact OH-CD2 3.32Å; M351-L354 PolarHBondContact O-N 3.22Å; M351-L354 HydrophobicContact SD-CB 4.39Å; M351-L354 HydrophobicContact SD-CD2 3.93Å; L354-G356 VanDerWaalsContact C-N 3.3Å; L354-G356 PolarHBondContact O-N 2.9Å; L354-C357 PolarHBondContact O-N 3.05Å; L354-L358 HydrophobicContact CD2-CD1 4Å; L354-L358 HydrophobicContact CG-CD1 3.97Å; L354-L358 HydrophobicContact CG-CG 4.23Å; L354-L358 WeakPolarHBondContact O-CB 3.44Å; L354-L358 VanDerWaalsContact O-CG 3.3Å; L354-L358 WeakPolarHBondContact O-CG 3.45Å; L354-L358 PolarHBondContact O-N 3.22Å |
| 355 | R | 96.9 | Very high | 94.7 | Very high | 89 Ų | 89 | 36.7 Ų | 36.7 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.8 | -45.2 | 176.2 | 174.4 | -176.9 | 65 | -176.4 | -7.5 | 111.1 | L328 N329 M351 T353 L358 L359 | L328-R355 HydrophobicContact CB-CG 3.95Å; L328-R355 HydrophobicContact CD1-CG 4.3Å; N329-R355 WeakPolarHBondContact OD1-CD 3.23Å; N329-R355 PolarHBondContact OD1-NH1 3.2Å; M351-R355 WeakPolarHBondContact O-CB 3.49Å; M351-R355 PolarHBondContact O-N 3.34Å; T353-R355 VanDerWaalsContact C-N 3.34Å; T353-R355 PolarHBondContact O-N 2.6Å; R355-L358 PolarHBondContact O-N 3.06Å; R355-L359 HydrophobicContact CG-CD1 4.01Å; R355-L359 WeakPolarHBondContact O-CB 3.46Å; R355-L359 VanDerWaalsContact O-CG 3.26Å; R355-L359 WeakPolarHBondContact O-CG 3.27Å; R355-L359 PolarHBondContact O-N 3.16Å |
| 356 | G | 97.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T353 L354 L359 R360 | T353-G356 PolarHBondContact O-N 3.45Å; T353-G356 VanDerWaalsContact O-N 3.1Å; L354-G356 VanDerWaalsContact C-N 3.3Å; L354-G356 PolarHBondContact O-N 2.9Å; G356-L359 PolarHBondContact O-N 3.11Å; G356-R360 WeakPolarHBondContact O-CB 3.23Å; G356-R360 PolarHBondContact O-N 3.11Å |
| 357 | C | 98.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.2 | -51.9 | 175.7 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | C202 T353 L354 L359 R360 L361 | C202-C357 HydrophobicContact CB-CB 4.36Å; T353-C357 PolarHBondContact O-N 3.42Å; T353-C357 VanDerWaalsContact O-N 3.09Å; T353-C357 PolarHBondContact O-SG 3.39Å; L354-C357 PolarHBondContact O-N 3.05Å; C357-L359 VanDerWaalsContact C-N 3.33Å; C357-L359 PolarHBondContact O-N 2.9Å; C357-R360 WeakPolarHBondContact O-CB 3.48Å; C357-R360 PolarHBondContact O-N 3.09Å; C357-L361 WeakPolarHBondContact O-CG 3.35Å; C357-L361 PolarHBondContact O-N 3.38Å |
| 358 | L | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -41.2 | -178.8 | -72.1 | 171.3 | 0 | 0 | 0 | 112.7 | L286 L306 F310 V311 L328 L354 R355 R360 L361 Y362 | L286-L358 HydrophobicContact CD2-CD1 3.6Å; L306-L358 HydrophobicContact CB-CD2 3.94Å; L306-L358 HydrophobicContact CD2-CD2 4.11Å; L306-L358 HydrophobicContact CG-CD2 4.42Å; F310-L358 HydrophobicContact CB-CD2 3.97Å; F310-L358 HydrophobicContact CD1-CB 4.36Å; F310-L358 HydrophobicContact CD1-CD1 3.96Å; F310-L358 HydrophobicContact CD1-CD2 3.71Å; F310-L358 HydrophobicContact CD1-CG 4.23Å; F310-L358 HydrophobicContact CD2-CD1 4.48Å; F310-L358 HydrophobicContact CE1-CB 4.43Å; F310-L358 HydrophobicContact CE1-CD1 4.23Å; F310-L358 HydrophobicContact CG-CD1 4.08Å; F310-L358 HydrophobicContact CG-CD2 4.03Å; V311-L358 HydrophobicContact CG2-CD2 4.28Å; L328-L358 HydrophobicContact CD1-CB 3.92Å; L328-L358 HydrophobicContact CD1-CD1 4.31Å; L328-L358 HydrophobicContact CD2-CD1 3.9Å; L354-L358 HydrophobicContact CD2-CD1 4Å; L354-L358 HydrophobicContact CG-CD1 3.97Å; L354-L358 HydrophobicContact CG-CG 4.23Å; L354-L358 WeakPolarHBondContact O-CB 3.44Å; L354-L358 VanDerWaalsContact O-CG 3.3Å; L354-L358 WeakPolarHBondContact O-CG 3.45Å; L354-L358 PolarHBondContact O-N 3.22Å; R355-L358 PolarHBondContact O-N 3.06Å; L358-R360 VanDerWaalsContact C-N 3.29Å; L358-R360 PolarHBondContact O-N 3.28Å; L358-L361 PolarHBondContact O-N 2.9Å; L358-Y362 WeakPolarHBondContact O-CB 3.43Å; L358-Y362 PolarHBondContact O-N 2.93Å |
| 359 | L | 97.8 | Very high | 94.6 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67 | -31.2 | 176 | -70.6 | 174.6 | 0 | 0 | 0 | 112.8 | L321 V324 R325 L328 R355 G356 C357 | L321-L359 HydrophobicContact CD1-CD2 4.01Å; V324-L359 HydrophobicContact CG1-CD2 4.09Å; R325-L359 HydrophobicContact CB-CD1 4.44Å; R325-L359 HydrophobicContact CB-CD2 3.83Å; R325-L359 HydrophobicContact CG-CD1 4.12Å; R325-L359 HydrophobicContact CG-CD2 4.41Å; L328-L359 HydrophobicContact CD1-CD2 4.07Å; L328-L359 HydrophobicContact CD1-CG 4.03Å; R355-L359 HydrophobicContact CG-CD1 4.01Å; R355-L359 WeakPolarHBondContact O-CB 3.46Å; R355-L359 VanDerWaalsContact O-CG 3.26Å; R355-L359 WeakPolarHBondContact O-CG 3.27Å; R355-L359 PolarHBondContact O-N 3.16Å; G356-L359 PolarHBondContact O-N 3.11Å; C357-L359 VanDerWaalsContact C-N 3.33Å; C357-L359 PolarHBondContact O-N 2.9Å |
| 360 | R | 97.7 | Very high | 94.5 | Very high | 100 Ų | 100 | 33.3 Ų | 33.3 | 38% | 0.377 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -73.4 | -40.7 | 174.7 | -177.3 | 60.1 | 60.2 | 175.4 | 4.9 | 111.9 | D198 F201 G356 C357 L358 Y362 H363 | D198-R360 HydrophobicContact CB-CG 3.99Å; D198-R360 WeakPolarHBondContact OD1-CD 3.1Å; F201-R360 HydrophobicContact CB-CG 4.12Å; F201-R360 HydrophobicContact CD1-CB 3.58Å; F201-R360 HydrophobicContact CD1-CG 3.62Å; F201-R360 HydrophobicContact CE1-CB 3.91Å; F201-R360 HydrophobicContact CE1-CG 4.39Å; F201-R360 HydrophobicContact CG-CB 4.5Å; F201-R360 HydrophobicContact CG-CG 4.1Å; G356-R360 WeakPolarHBondContact O-CB 3.23Å; G356-R360 PolarHBondContact O-N 3.11Å; C357-R360 WeakPolarHBondContact O-CB 3.48Å; C357-R360 PolarHBondContact O-N 3.09Å; L358-R360 VanDerWaalsContact C-N 3.29Å; L358-R360 PolarHBondContact O-N 3.28Å; R360-Y362 PolarHBondContact O-N 3.35Å; R360-H363 PolarHBondContact O-CD2 3.22Å; R360-H363 PolarHBondContact O-NE2 3.48Å |
| 361 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.5 | -17.9 | 179.4 | -60.8 | 170.2 | 0 | 0 | 0 | 112.3 | Y193 L194 F303 L306 V311 C357 L358 H363 | Y193-L361 VanDerWaalsContact CE2-O 3.26Å; Y193-L361 WeakPolarHBondContact CE2-O 3.18Å; Y193-L361 PolarHBondContact OH-O 2.94Å; L194-L361 HydrophobicContact CD1-CD2 3.47Å; L194-L361 VanDerWaalsContact CD1-CD2 3.47Å; L194-L361 HydrophobicContact CD2-CB 4.41Å; L194-L361 HydrophobicContact CD2-CD2 3.83Å; L194-L361 HydrophobicContact CG-CD2 4.29Å; F303-L361 HydrophobicContact CD1-CD1 4.02Å; F303-L361 HydrophobicContact CD1-CD2 4.06Å; L306-L361 HydrophobicContact CB-CD1 4.18Å; L306-L361 HydrophobicContact CD1-CD1 4.09Å; V311-L361 HydrophobicContact CG2-CB 4.32Å; C357-L361 WeakPolarHBondContact O-CG 3.35Å; C357-L361 PolarHBondContact O-N 3.38Å; L358-L361 PolarHBondContact O-N 2.9Å; L361-H363 PolarHBondContact O-N 3.27Å |
| 362 | Y | 97.3 | Very high | 94.1 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | trans | -82.7 | 93.7 | 179.1 | -159.5 | -82 | 0 | 0 | 0 | 110.8 | V311 C314 R315 W319 L321 V324 L358 R360 D364 | V311-Y362 HydrophobicContact CG1-CD2 3.86Å; V311-Y362 HydrophobicContact CG1-CE2 4.3Å; C314-Y362 HydrophobicContact CB-CE2 3.7Å; C314-Y362 PolarHBondContact O-OH 3.09Å; R315-Y362 HydrophobicContact CG-CD2 4.41Å; R315-Y362 HydrophobicContact CG-CE1 4.44Å; R315-Y362 HydrophobicContact CG-CE2 3.6Å; R315-Y362 WeakPolarHBondContact CG-OH 3.28Å; W319-Y362 PolarHBondContact O-OH 3.35Å; L321-Y362 HydrophobicContact CB-CD1 4.28Å; L321-Y362 HydrophobicContact CD1-CD1 3.83Å; L321-Y362 HydrophobicContact CD1-CG 4.19Å; V324-Y362 HydrophobicContact CG1-CD2 4.39Å; V324-Y362 HydrophobicContact CG2-CD1 4.46Å; V324-Y362 HydrophobicContact CG2-CD2 4.12Å; V324-Y362 HydrophobicContact CG2-CE1 4.17Å; V324-Y362 HydrophobicContact CG2-CE2 3.83Å; V324-Y362 HydrophobicContact CG2-CG 4.44Å; L358-Y362 WeakPolarHBondContact O-CB 3.43Å; L358-Y362 PolarHBondContact O-N 2.93Å; R360-Y362 PolarHBondContact O-N 3.35Å; Y362-D364 WeakPolarHBondContact CE1-OD1 3.46Å | ||
| 363 | H | 91.8 | Very high | 94.1 | Very high | 62 Ų | 62 | 38.5 Ų | 38.5 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | trans | -95.2 | 134.5 | 167.4 | -67 | -162.7 | 0 | 0 | 0 | 107.9 | Y193 D198 R315 R360 L361 | Y193-H363 HydrophobicContact CD2-CB 4.01Å; Y193-H363 AromaticContact CD2-CG 3.93Å; Y193-H363 AromaticContact CD2-ND1 3.85Å; Y193-H363 HydrophobicContact CE2-CB 4.13Å; D198-H363 IonicContact OD1-CE1 3.5Å; D198-H363 IonicContact OD1-NE2 3.41Å; D198-H363 PolarHBondContact OD1-NE2 3.26Å; D198-H363 VanDerWaalsContact OD1-NE2 3.11Å; D198-H363 IonicContact OD2-CE1 2.75Å; D198-H363 PolarHBondContact OD2-CE1 3.06Å; D198-H363 VanDerWaalsContact OD2-CE1 3.22Å; D198-H363 IonicContact OD2-NE2 3.86Å; D198-H363 PolarHBondContact OD2-NE2 2.87Å; R315-H363 PolarHBondContact NE-O 3.47Å; R315-H363 PolarHBondContact NH1-O 3.07Å; R315-H363 PolarHBondContact NH2-O 2.98Å; R360-H363 PolarHBondContact O-CD2 3.22Å; R360-H363 PolarHBondContact O-NE2 3.48Å; L361-H363 PolarHBondContact O-N 3.27Å | ||
| 364 | D | 63.4 | Low | 93.9 | Very high | 154 Ų | 154 | 42 Ų | 42 | 82% | 0.824 | 20% | 0.2 | S | C | * | . | trans | -62.9 | 0 | 177.7 | -70.6 | -31.7 | 0 | 0 | 0 | 111.3 | R315 Y362 | R315-D364 PolarHBondContact NH2-O 3.47Å; R315-D364 PolarHBondContact NH2-OXT 3.11Å; Y362-D364 WeakPolarHBondContact CE1-OD1 3.46Å |
Retrieved 364 of 364 residues in 306 ms
(Link to these results)