| 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 | 41 | Very low | 62 | Low | 17 Ų | 17 | 73.8 Ų | 73.8 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | 0 | 97.5 | 0 | -162.3 | -165.9 | -88.8 | 0 | 0 | 104 | W3 F56 L59 E104 L105 | M1-W3 PolarHBondContact O-N 3.46Å; M1-W3 HydrophobicContact SD-CE3 3.58Å; M1-W3 VanDerWaalsContact SD-CE3 3.58Å; M1-W3 HydrophobicContact SD-CZ3 3.87Å; M1-F56 HydrophobicContact CB-CE1 4.26Å; M1-F56 HydrophobicContact CB-CZ 3.93Å; M1-F56 HydrophobicContact CE-CD2 4.21Å; M1-F56 HydrophobicContact CE-CE1 4.13Å; M1-F56 HydrophobicContact CE-CE2 3.16Å; M1-F56 HydrophobicContact CE-CZ 3.11Å; M1-F56 HydrophobicContact CG-CE1 4.44Å; M1-F56 HydrophobicContact CG-CZ 4.06Å; M1-F56 HydrophobicContact SD-CZ 4.28Å; M1-L59 HydrophobicContact CE-CD2 4.24Å; M1-E104 VanDerWaalsContact N-CG 3.28Å; M1-E104 PolarHBondContact N-OE1 2.84Å; M1-E104 PolarHBondContact N-OE2 3.48Å; M1-L105 HydrophobicContact CB-CD2 4.28Å; M1-L105 HydrophobicContact CB-CG 4.43Å; M1-L105 HydrophobicContact CG-CD2 4.35Å; M1-L105 HydrophobicContact SD-CD1 4.09Å; M1-L105 HydrophobicContact SD-CD2 3.61Å; M1-L105 HydrophobicContact SD-CG 4.02Å | |||
| 2 | T | 44.6 | Very low | 64.7 | Low | 55 Ų | 55 | 79.4 Ų | 79.4 | 34% | 0.337 | 42% | 0.418 | S | S | . | . | trans | -77.6 | 112.9 | 150.5 | 63.9 | 0 | 0 | 0 | 0 | 103.4 | T4 E111 | T2-T4 WeakPolarHBondContact CB-O 3.26Å; T2-T4 PolarHBondContact O-N 3.43Å; T2-T4 VanDerWaalsContact O-N 3.08Å; T2-T4 PolarHBondContact OG1-O 3.09Å; T2-E111 WeakPolarHBondContact CA-OE2 3.42Å; T2-E111 WeakPolarHBondContact CB-OE2 3.36Å; T2-E111 WeakPolarHBondContact CG2-OE1 3.41Å; T2-E111 VanDerWaalsContact CG2-OE2 3.22Å; T2-E111 WeakPolarHBondContact CG2-OE2 3.45Å | ||
| 3 | W | 52 | Low | 67.1 | Low | 8 Ų | 8 | 81.2 Ų | 81.2 | 3% | 0.03 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -56.9 | -18.7 | 170.8 | -166.3 | -82 | 0 | 0 | 0 | 110.7 | M1 L63 Q64 L105 L112 I117 I119 L151 | M1-W3 PolarHBondContact O-N 3.46Å; M1-W3 HydrophobicContact SD-CE3 3.58Å; M1-W3 VanDerWaalsContact SD-CE3 3.58Å; M1-W3 HydrophobicContact SD-CZ3 3.87Å; W3-L63 HydrophobicContact CD2-CD1 4.22Å; W3-L63 HydrophobicContact CE3-CD1 3.86Å; W3-L63 HydrophobicContact CH2-CB 4.25Å; W3-L63 HydrophobicContact CH2-CD1 3.07Å; W3-L63 HydrophobicContact CH2-CD2 3.47Å; W3-L63 VanDerWaalsContact CH2-CD2 3.47Å; W3-L63 HydrophobicContact CH2-CG 3.72Å; W3-L63 HydrophobicContact CZ2-CB 3.93Å; W3-L63 HydrophobicContact CZ2-CD1 3.62Å; W3-L63 HydrophobicContact CZ2-CD2 3.55Å; W3-L63 HydrophobicContact CZ2-CG 3.86Å; W3-L63 HydrophobicContact CZ3-CD1 3.22Å; W3-L63 HydrophobicContact CZ3-CD2 4.48Å; W3-L63 HydrophobicContact CZ3-CG 4.32Å; W3-Q64 PolarHBondContact O-OE1 3.31Å; W3-L105 HydrophobicContact CE3-CD2 4.32Å; W3-L112 HydrophobicContact CB-CD2 4.01Å; W3-I117 HydrophobicContact CB-CD1 3.86Å; W3-I117 HydrophobicContact CD2-CD1 4.27Å; W3-I117 HydrophobicContact CG-CD1 3.48Å; W3-I117 VanDerWaalsContact CG-CD1 3.48Å; W3-I119 HydrophobicContact CE3-CD1 4.49Å; W3-I119 HydrophobicContact CZ3-CD1 4.36Å; W3-L151 HydrophobicContact CE3-CD2 4.31Å; W3-L151 HydrophobicContact CH2-CB 3.43Å; W3-L151 VanDerWaalsContact CH2-CB 3.43Å; W3-L151 HydrophobicContact CH2-CD1 3.49Å; W3-L151 VanDerWaalsContact CH2-CD1 3.49Å; W3-L151 HydrophobicContact CH2-CD2 3.06Å; W3-L151 HydrophobicContact CH2-CG 3.42Å; W3-L151 VanDerWaalsContact CH2-CG 3.42Å; W3-L151 HydrophobicContact CZ2-CB 3.84Å; W3-L151 HydrophobicContact CZ2-CD1 4.31Å; W3-L151 HydrophobicContact CZ2-CD2 4.22Å; W3-L151 HydrophobicContact CZ2-CG 4.29Å; W3-L151 HydrophobicContact CZ3-CB 4.22Å; W3-L151 HydrophobicContact CZ3-CD1 4.37Å; W3-L151 HydrophobicContact CZ3-CD2 3.11Å; W3-L151 HydrophobicContact CZ3-CG 4.02Å |
| 4 | T | 48.3 | Very low | 69.1 | Low | 25 Ų | 25 | 77.9 Ų | 77.9 | 15% | 0.153 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -117 | 96.3 | 177.2 | 51.3 | 0 | 0 | 0 | 0 | 108.6 | T2 S6 D115 | T2-T4 WeakPolarHBondContact CB-O 3.26Å; T2-T4 PolarHBondContact O-N 3.43Å; T2-T4 VanDerWaalsContact O-N 3.08Å; T2-T4 PolarHBondContact OG1-O 3.09Å; T4-S6 PolarHBondContact O-N 3.26Å; T4-D115 HydrophobicContact CG2-CB 3.97Å; T4-D115 WeakPolarHBondContact CG2-OD1 3.25Å; T4-D115 WeakPolarHBondContact CG2-OD2 3.16Å; T4-D115 PolarHBondContact OG1-OD2 2.82Å |
| 5 | R | 50.5 | Low | 70.8 | Confident | 136 Ų | 136 | 81.4 Ų | 81.4 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | trans | -67 | 129.7 | 153.1 | -80.4 | -172.3 | 168.5 | 175.6 | -0.9 | 106.1 | E7 | R5-E7 PolarHBondContact O-N 3.48Š| ||
| 6 | S | 50.7 | Low | 72.3 | Confident | 122 Ų | 122 | 82.8 Ų | 82.8 | 85% | 0.853 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -56.1 | 96.7 | 160.7 | 39.6 | 0 | 0 | 0 | 0 | 107.4 | T4 | T4-S6 PolarHBondContact O-N 3.26Š|
| 7 | E | 59.8 | Low | 73.8 | Confident | 170 Ų | 170 | 79.5 Ų | 79.5 | 79% | 0.794 | 41% | 0.412 | S | S | * | . | trans | 61.3 | 93.2 | 170.8 | -56.5 | -178.6 | 175.6 | 0 | 0 | 115.5 | R5 Q9 | R5-E7 PolarHBondContact O-N 3.48Å; E7-Q9 PolarHBondContact O-N 3.43Å | ||
| 8 | V | 70 | Confident | 74.9 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 19% | 0.194 | 39% | 0.394 | C | S | . | . | trans | -53.5 | 117.2 | 155.2 | 168.5 | 0 | 0 | 0 | 0 | 107.8 | Y10 Q64 | V8-Y10 HydrophobicContact CB-CE2 4.19Å; V8-Y10 HydrophobicContact CG1-CD1 4.1Å; V8-Y10 HydrophobicContact CG1-CD2 4.48Å; V8-Y10 HydrophobicContact CG1-CE1 3.61Å; V8-Y10 HydrophobicContact CG1-CE2 4.05Å; V8-Y10 WeakPolarHBondContact O-CD2 3.32Å; V8-Y10 PolarHBondContact O-N 2.79Å; V8-Y10 VanDerWaalsContact O-N 3.14Å; V8-Q64 HydrophobicContact CB-CG 4.27Å; V8-Q64 HydrophobicContact CG2-CB 4Å; V8-Q64 HydrophobicContact CG2-CG 3.56Å | ||
| 9 | Q | 83 | Confident | 75.9 | Confident | 179 Ų | 179 | 78.4 Ų | 78.4 | 84% | 0.836 | 40% | 0.402 | S | S | * | . | trans | -78.2 | 102.8 | 179.2 | -68.5 | -170.8 | 1.2 | 0 | 0 | 110.1 | E7 | E7-Q9 PolarHBondContact O-N 3.43Š| ||
| 10 | Y | 89.6 | Confident | 76.9 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 13% | 0.125 | 41% | 0.407 | C | S | . | . | trans | -80.1 | 131.9 | 173.3 | -63.6 | -67.9 | 0 | 0 | 0 | 111.5 | V8 Q14 K15 L18 W65 D68 W240 | V8-Y10 HydrophobicContact CB-CE2 4.19Å; V8-Y10 HydrophobicContact CG1-CD1 4.1Å; V8-Y10 HydrophobicContact CG1-CD2 4.48Å; V8-Y10 HydrophobicContact CG1-CE1 3.61Å; V8-Y10 HydrophobicContact CG1-CE2 4.05Å; V8-Y10 WeakPolarHBondContact O-CD2 3.32Å; V8-Y10 PolarHBondContact O-N 2.79Å; V8-Y10 VanDerWaalsContact O-N 3.14Å; Y10-Q14 HydrophobicContact CD1-CB 4Å; Y10-Q14 HydrophobicContact CG-CB 4.43Å; Y10-K15 VanDerWaalsContact O-CE 3.24Å; Y10-K15 WeakPolarHBondContact O-CE 3.38Å; Y10-L18 HydrophobicContact CD1-CD1 3.76Å; Y10-L18 HydrophobicContact CD2-CD1 3.58Å; Y10-L18 HydrophobicContact CE1-CD1 3.83Å; Y10-L18 HydrophobicContact CE2-CD1 3.64Å; Y10-L18 HydrophobicContact CG-CD1 3.63Å; Y10-W65 VanDerWaalsContact OH-CD1 3.29Å; Y10-D68 VanDerWaalsContact CE2-OD2 3.25Å; Y10-D68 WeakPolarHBondContact CE2-OD2 3.38Å; Y10-D68 VanDerWaalsContact CZ-OD2 3.26Å; Y10-D68 PolarHBondContact OH-OD2 3.38Å; Y10-W240 AromaticContact CD1-NE1 3.88Å; Y10-W240 AromaticContact CE1-CD1 3.68Å; Y10-W240 AromaticContact CE1-NE1 3.34Å; Y10-W240 VanDerWaalsContact CE1-NE1 3.34Å | ||
| 11 | G | 92.6 | Very high | 77.8 | Confident | 36 Ų | 36 | 74.2 Ų | 74.2 | 37% | 0.371 | 39% | 0.39 | S | S | . | . | trans | -63.2 | 163.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L13 Q14 K15 | G11-L13 VanDerWaalsContact C-N 3.32Å; G11-L13 PolarHBondContact O-N 3.25Å; G11-Q14 WeakPolarHBondContact O-CB 3.1Å; G11-Q14 PolarHBondContact O-N 2.99Å; G11-K15 PolarHBondContact O-N 3.41Å | ||
| 12 | I | 94.5 | Very high | 80.3 | Confident | 141 Ų | 141 | 78.8 Ų | 78.8 | 72% | 0.723 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -54.8 | -47.5 | -176.1 | -63.6 | 172.3 | 0 | 0 | 0 | 111.5 | Q14 K15 I16 | I12-Q14 VanDerWaalsContact C-N 3.34Å; I12-Q14 PolarHBondContact O-N 3.16Å; I12-K15 PolarHBondContact O-N 3.43Å; I12-I16 HydrophobicContact CG2-CD1 4.1Å; I12-I16 WeakPolarHBondContact O-CG1 3.2Å; I12-I16 PolarHBondContact O-N 3.35Å |
| 13 | L | 95.6 | Very high | 82.7 | Confident | 102 Ų | 102 | 85 Ų | 85 | 53% | 0.534 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 179.3 | -176.2 | 59.4 | 0 | 0 | 0 | 112 | G11 K15 I16 C17 W241 | G11-L13 VanDerWaalsContact C-N 3.32Å; G11-L13 PolarHBondContact O-N 3.25Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3Å; L13-I16 PolarHBondContact O-N 3.14Å; L13-C17 WeakPolarHBondContact O-CB 3.43Å; L13-C17 PolarHBondContact O-N 2.94Å; L13-C17 PolarHBondContact O-SG 3.27Å; L13-C17 VanDerWaalsContact O-SG 3.42Å; L13-W241 HydrophobicContact CB-CH2 4.27Å; L13-W241 HydrophobicContact CD2-CH2 3.64Å; L13-W241 HydrophobicContact CD2-CZ3 4.18Å; L13-W241 HydrophobicContact CG-CH2 3.8Å; L13-W241 HydrophobicContact CG-CZ3 4.32Å |
| 14 | Q | 95.9 | Very high | 84.7 | Confident | 36 Ų | 36 | 85.7 Ų | 85.7 | 17% | 0.168 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.6 | -61.2 | 178.3 | -57.6 | 0 | 0 | 110.8 | Y10 G11 I12 I16 C17 L18 W240 W241 | Y10-Q14 HydrophobicContact CD1-CB 4Å; Y10-Q14 HydrophobicContact CG-CB 4.43Å; G11-Q14 WeakPolarHBondContact O-CB 3.1Å; G11-Q14 PolarHBondContact O-N 2.99Å; I12-Q14 VanDerWaalsContact C-N 3.34Å; I12-Q14 PolarHBondContact O-N 3.16Å; Q14-I16 PolarHBondContact O-N 3.27Å; Q14-C17 PolarHBondContact O-N 2.94Å; Q14-L18 WeakPolarHBondContact O-CB 2.98Å; Q14-L18 VanDerWaalsContact O-CG 3.27Å; Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 2.73Å; Q14-W240 HydrophobicContact CB-CD2 4.27Å; Q14-W240 HydrophobicContact CB-CE3 4.21Å; Q14-W240 HydrophobicContact CB-CH2 3.94Å; Q14-W240 HydrophobicContact CB-CZ2 4Å; Q14-W240 HydrophobicContact CB-CZ3 4.02Å; Q14-W240 HydrophobicContact CG-CD2 3.91Å; Q14-W240 HydrophobicContact CG-CE3 3.61Å; Q14-W240 HydrophobicContact CG-CH2 4.19Å; Q14-W240 HydrophobicContact CG-CZ2 4.46Å; Q14-W240 HydrophobicContact CG-CZ3 3.74Å; Q14-W240 VanDerWaalsContact NE2-CG 3.31Å; Q14-W241 HydrophobicContact CG-CH2 3.95Å; Q14-W241 HydrophobicContact CG-CZ2 3.91Å |
| 15 | K | 93.7 | Very high | 87 | Confident | 130 Ų | 130 | 86.5 Ų | 86.5 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.8 | -44.5 | 175.3 | -69.5 | 179.2 | 176.3 | 174.7 | 0 | 112.4 | Y10 G11 I12 L13 L18 H19 | Y10-K15 VanDerWaalsContact O-CE 3.24Å; Y10-K15 WeakPolarHBondContact O-CE 3.38Å; G11-K15 PolarHBondContact O-N 3.41Å; I12-K15 PolarHBondContact O-N 3.43Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3Å; K15-L18 PolarHBondContact O-N 3.5Å; K15-H19 PolarHBondContact O-N 3.32Å |
| 16 | I | 95.9 | Very high | 89.2 | Confident | 103 Ų | 103 | 81.2 Ų | 81.2 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60 | -49.6 | 176.4 | -67.3 | 168 | 0 | 0 | 0 | 110 | I12 L13 Q14 H19 A20 | I12-I16 HydrophobicContact CG2-CD1 4.1Å; I12-I16 WeakPolarHBondContact O-CG1 3.2Å; I12-I16 PolarHBondContact O-N 3.35Å; L13-I16 PolarHBondContact O-N 3.14Å; Q14-I16 PolarHBondContact O-N 3.27Å; I16-H19 PolarHBondContact O-N 2.95Å; I16-A20 WeakPolarHBondContact O-CB 3.35Å; I16-A20 PolarHBondContact O-N 3Å |
| 17 | C | 97 | Very high | 91.5 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 179.1 | -73.3 | 0 | 0 | 0 | 0 | 112.5 | L13 Q14 H19 A20 I21 W240 L244 | L13-C17 WeakPolarHBondContact O-CB 3.43Å; L13-C17 PolarHBondContact O-N 2.94Å; L13-C17 PolarHBondContact O-SG 3.27Å; L13-C17 VanDerWaalsContact O-SG 3.42Å; Q14-C17 PolarHBondContact O-N 2.94Å; C17-H19 VanDerWaalsContact C-N 3.26Å; C17-H19 PolarHBondContact O-N 3.12Å; C17-A20 PolarHBondContact O-N 3Å; C17-I21 WeakPolarHBondContact O-CG1 3.41Å; C17-I21 WeakPolarHBondContact O-CG2 3.42Å; C17-I21 PolarHBondContact O-N 3.33Å; C17-W240 HydrophobicContact CB-CH2 3.58Å; C17-W240 HydrophobicContact CB-CZ3 4.31Å; C17-L244 HydrophobicContact CB-CD1 4.25Å; C17-L244 HydrophobicContact CB-CD2 3.99Å |
| 18 | L | 93.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 71.6 Ų | 71.6 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57 | -40.5 | 174.3 | -78.2 | 173.2 | 0 | 0 | 0 | 112 | Y10 Q14 K15 I21 K22 I69 W240 | Y10-L18 HydrophobicContact CD1-CD1 3.76Å; Y10-L18 HydrophobicContact CD2-CD1 3.58Å; Y10-L18 HydrophobicContact CE1-CD1 3.83Å; Y10-L18 HydrophobicContact CE2-CD1 3.64Å; Y10-L18 HydrophobicContact CG-CD1 3.63Å; Q14-L18 WeakPolarHBondContact O-CB 2.98Å; Q14-L18 VanDerWaalsContact O-CG 3.27Å; Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 2.73Å; K15-L18 PolarHBondContact O-N 3.5Å; L18-I21 HydrophobicContact CD2-CD1 4.4Å; L18-I21 WeakPolarHBondContact O-CG1 3.31Å; L18-K22 WeakPolarHBondContact O-CG 3.45Å; L18-I69 HydrophobicContact CD2-CG2 3.51Å; L18-W240 HydrophobicContact CD2-CZ2 3.84Å; L18-W240 HydrophobicContact CG-CZ2 3.75Å |
| 19 | H | 93 | Very high | 94.6 | Very high | 119 Ų | 119 | 70.1 Ų | 70.1 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.4 | -44.9 | 177.2 | -165.2 | 74.1 | 0 | 0 | 0 | 111.1 | K15 I16 C17 K22 Y23 | K15-H19 PolarHBondContact O-N 3.32Å; I16-H19 PolarHBondContact O-N 2.95Å; C17-H19 VanDerWaalsContact C-N 3.26Å; C17-H19 PolarHBondContact O-N 3.12Å; H19-K22 PolarHBondContact O-N 3.12Å; H19-Y23 AromaticContact CD2-CE2 3.88Å; H19-Y23 AromaticContact NE2-CE2 3.8Å; H19-Y23 WeakPolarHBondContact O-CD2 3.42Å |
| 20 | A | 96 | Very high | 95.4 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 49% | 0.488 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | I16 C17 K22 Y23 | I16-A20 WeakPolarHBondContact O-CB 3.35Å; I16-A20 PolarHBondContact O-N 3Å; C17-A20 PolarHBondContact O-N 3Å; A20-K22 PolarHBondContact O-N 3.02Å; A20-Y23 WeakPolarHBondContact O-CB 3.41Å; A20-Y23 PolarHBondContact O-N 3.03Å; A20-Y23 VanDerWaalsContact O-N 3.17Å |
| 21 | I | 95.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.051 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -24.9 | -176.6 | 62.8 | -177.8 | 0 | 0 | 0 | 113.5 | C17 L18 Y23 G24 I69 L244 I248 Q251 | C17-I21 WeakPolarHBondContact O-CG1 3.41Å; C17-I21 WeakPolarHBondContact O-CG2 3.42Å; C17-I21 PolarHBondContact O-N 3.33Å; L18-I21 HydrophobicContact CD2-CD1 4.4Å; L18-I21 WeakPolarHBondContact O-CG1 3.31Å; I21-Y23 PolarHBondContact O-N 2.94Å; I21-G24 PolarHBondContact O-N 3.45Å; I21-G24 VanDerWaalsContact O-N 3.09Å; I21-I69 HydrophobicContact CD1-CB 4.48Å; I21-I69 HydrophobicContact CD1-CG2 3.71Å; I21-L244 HydrophobicContact CD1-CD1 3.87Å; I21-L244 HydrophobicContact CG2-CD1 3.45Å; I21-L244 VanDerWaalsContact CG2-CD1 3.45Å; I21-I248 HydrophobicContact CG2-CG1 4.28Å; I21-Q251 PolarHBondContact O-NE2 3.12Å |
| 22 | K | 94.6 | Very high | 96.1 | Very high | 113 Ų | 113 | 58.5 Ų | 58.5 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15 | 177.4 | -75.6 | 177.4 | 176.6 | -173.7 | 0 | 113.6 | L18 H19 A20 D68 | L18-K22 WeakPolarHBondContact O-CG 3.45Å; H19-K22 PolarHBondContact O-N 3.12Å; A20-K22 PolarHBondContact O-N 3.02Å; K22-D68 WeakPolarHBondContact CE-O 3.12Å; K22-D68 PolarHBondContact NZ-O 2.59Å |
| 23 | Y | 94.3 | Very high | 96.3 | Very high | 186 Ų | 186 | 52.1 Ų | 52.1 | 73% | 0.729 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -15.8 | 173.3 | -72.6 | -85.4 | 0 | 0 | 0 | 113.4 | H19 A20 I21 | H19-Y23 AromaticContact CD2-CE2 3.88Å; H19-Y23 AromaticContact NE2-CE2 3.8Å; H19-Y23 WeakPolarHBondContact O-CD2 3.42Å; A20-Y23 WeakPolarHBondContact O-CB 3.41Å; A20-Y23 PolarHBondContact O-N 3.03Å; A20-Y23 VanDerWaalsContact O-N 3.17Å; I21-Y23 PolarHBondContact O-N 2.94Å |
| 24 | G | 95.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 24% | 0.237 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -93.1 | 171.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I21 I26 | I21-G24 PolarHBondContact O-N 3.45Å; I21-G24 VanDerWaalsContact O-N 3.09Å; G24-I26 PolarHBondContact O-N 3.3Å |
| 25 | P | 95.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 128.7 | 174.6 | 24.5 | -31.6 | 0 | 0 | 0 | 110.6 | Y250 Q251 Y254 | P25-Y250 HydrophobicContact CB-CE1 4.31Å; P25-Q251 HydrophobicContact CG-CB 4.35Å; P25-Q251 HydrophobicContact CG-CG 4.03Å; P25-Q251 WeakPolarHBondContact O-CG 3.24Å; P25-Q251 PolarHBondContact O-NE2 3.13Å; P25-Q251 VanDerWaalsContact O-NE2 3.13Å; P25-Y254 HydrophobicContact CB-CD1 3.99Å; P25-Y254 HydrophobicContact CB-CE1 4.21Å; P25-Y254 HydrophobicContact CB-CG 4.41Å; P25-Y254 HydrophobicContact CG-CD1 3.71Å; P25-Y254 HydrophobicContact CG-CE1 4.33Å; P25-Y254 HydrophobicContact CG-CG 4.2Å |
| 26 | I | 97.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 42.5 Ų | 42.5 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -99.5 | 129.1 | 176.7 | -60.3 | -59.6 | 0 | 0 | 0 | 108.4 | G24 K28 I69 I71 I247 | G24-I26 PolarHBondContact O-N 3.3Å; I26-K28 PolarHBondContact O-N 2.91Å; I26-I69 HydrophobicContact CG2-CD1 4.44Å; I26-I71 HydrophobicContact CG2-CG1 4.16Å; I26-I247 HydrophobicContact CD1-CG2 4.37Å |
| 27 | P | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -63 | 131.9 | 174.1 | 27.3 | -31.7 | 0 | 0 | 0 | 108.7 | V30 I71 D202 L203 I247 Y250 | P27-V30 HydrophobicContact CB-CG2 3.83Å; P27-V30 HydrophobicContact CG-CG2 3.62Å; P27-I71 HydrophobicContact CG-CD1 4.41Å; P27-I71 HydrophobicContact CG-CG1 4.34Å; P27-I71 WeakPolarHBondContact O-CG1 3.46Å; P27-D202 HydrophobicContact CB-CB 3.67Å; P27-L203 HydrophobicContact CB-CB 4.13Å; P27-L203 HydrophobicContact CG-CB 4.48Å; P27-L203 HydrophobicContact CG-CD2 4.23Å; P27-I247 HydrophobicContact CG-CD1 3.93Å; P27-Y250 HydrophobicContact CB-CD1 4.07Å; P27-Y250 HydrophobicContact CB-CD2 4.19Å; P27-Y250 HydrophobicContact CB-CE1 3.87Å; P27-Y250 HydrophobicContact CB-CE2 4.03Å; P27-Y250 HydrophobicContact CB-CG 4.22Å; P27-Y250 HydrophobicContact CG-CD1 4.04Å; P27-Y250 HydrophobicContact CG-CE1 4.23Å; P27-Y250 HydrophobicContact CG-CG 4.27Å |
| 28 | K | 97.8 | Very high | 96.7 | Very high | 89 Ų | 89 | 41.6 Ų | 41.6 | 39% | 0.387 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -81.3 | -34.2 | 178.9 | -60.4 | -51 | -166.2 | 164.3 | 0 | 111.5 | I26 E72 E73 K199 D202 | I26-K28 PolarHBondContact O-N 2.91Å; K28-E72 HydrophobicContact CD-CG 4.33Å; K28-E72 WeakPolarHBondContact CD-OE1 3.48Å; K28-E72 WeakPolarHBondContact CE-OE1 3.45Å; K28-E72 IonicContact NZ-OE1 3.95Å; K28-E72 PolarHBondContact NZ-OE1 2.78Å; K28-E72 PolarHBondContact O-N 3.26Å; K28-E72 VanDerWaalsContact O-N 3.09Å; K28-E73 PolarHBondContact O-N 2.9Å; K28-K199 HydrophobicContact CB-CD 4.24Å; K28-D202 WeakPolarHBondContact CA-OD2 3.47Å; K28-D202 WeakPolarHBondContact CB-OD2 3.47Å; K28-D202 PolarHBondContact N-OD2 3.35Å |
| 29 | H | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.4 | 175.1 | -174.8 | -172.1 | 0 | 0 | 0 | 111.4 | E73 S75 K199 P200 D202 L203 | H29-E73 CarbonylContact C-O 3.6Å; H29-E73 VanDerWaalsContact CA-O 3.25Å; H29-E73 WeakPolarHBondContact CA-O 3.44Å; H29-E73 HydrophobicContact CB-CB 4.2Å; H29-E73 PolarHBondContact CD2-O 3.22Å; H29-S75 PolarHBondContact CE1-OG 2.77Å; H29-S75 WeakPolarHBondContact NE2-CB 3.36Å; H29-S75 PolarHBondContact NE2-OG 3.01Å; H29-K199 HydrophobicContact CB-CB 4.17Å; H29-K199 PolarHBondContact ND1-O 3.06Å; H29-P200 WeakPolarHBondContact CB-O 3.44Å; H29-D202 PolarHBondContact N-OD2 3.24Å; H29-D202 PolarHBondContact O-N 2.97Å; H29-L203 PolarHBondContact O-N 3.32Å |
| 30 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.9 | 175.2 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | P27 F32 I71 E73 V74 S75 L203 I205 | P27-V30 HydrophobicContact CB-CG2 3.83Å; P27-V30 HydrophobicContact CG-CG2 3.62Å; V30-F32 HydrophobicContact CB-CE2 4.24Å; V30-F32 HydrophobicContact CG1-CD2 4.22Å; V30-F32 HydrophobicContact CG1-CE1 4.44Å; V30-F32 HydrophobicContact CG1-CE2 3.62Å; V30-F32 HydrophobicContact CG1-CZ 3.75Å; V30-I71 HydrophobicContact CB-CD1 4.38Å; V30-I71 HydrophobicContact CB-CG2 4.42Å; V30-I71 HydrophobicContact CG2-CD1 3.52Å; V30-I71 HydrophobicContact CG2-CG1 4.05Å; V30-I71 HydrophobicContact CG2-CG2 4Å; V30-E73 PolarHBondContact N-O 3.27Å; V30-V74 CarbonylContact O-C 3.6Å; V30-V74 VanDerWaalsContact O-CA 3.22Å; V30-V74 WeakPolarHBondContact O-CA 3.49Å; V30-S75 PolarHBondContact O-N 3.44Å; V30-L203 CarbonylContact C-O 3.59Å; V30-L203 VanDerWaalsContact CA-O 3.3Å; V30-L203 WeakPolarHBondContact CA-O 3.42Å; V30-L203 HydrophobicContact CG1-CB 4.37Å; V30-L203 HydrophobicContact CG1-CD2 4.26Å; V30-L203 HydrophobicContact CG1-CG 4.29Å; V30-L203 HydrophobicContact CG2-CB 4.22Å; V30-L203 HydrophobicContact CG2-CD2 4.36Å; V30-I205 HydrophobicContact CG1-CD1 3.88Å; V30-I205 HydrophobicContact CG1-CG1 4.22Å |
| 31 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S75 L201 L203 L204 I205 F216 L217 | A31-S75 CarbonylContact C-O 3.23Å; A31-S75 WeakPolarHBondContact CA-O 3.43Å; A31-L201 HydrophobicContact CB-CD1 3.53Å; A31-L201 HydrophobicContact CB-CD2 4.18Å; A31-L203 PolarHBondContact N-O 3.48Å; A31-L204 HydrophobicContact CB-CG 4.49Å; A31-L204 CarbonylContact O-C 3.39Å; A31-L204 WeakPolarHBondContact O-CA 3.28Å; A31-I205 PolarHBondContact O-N 3.07Å; A31-F216 HydrophobicContact CB-CE1 3.86Å; A31-F216 HydrophobicContact CB-CZ 4.37Å; A31-L217 HydrophobicContact CB-CD1 3.69Å |
| 32 | F | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.7 | 178.7 | -66 | -89.6 | 0 | 0 | 0 | 111.7 | V30 M34 T62 V74 S75 I76 F77 I205 W235 F238 | V30-F32 HydrophobicContact CB-CE2 4.24Å; V30-F32 HydrophobicContact CG1-CD2 4.22Å; V30-F32 HydrophobicContact CG1-CE1 4.44Å; V30-F32 HydrophobicContact CG1-CE2 3.62Å; V30-F32 HydrophobicContact CG1-CZ 3.75Å; F32-M34 HydrophobicContact CB-CG 4.13Å; F32-T62 HydrophobicContact CE1-CG2 3.84Å; F32-T62 HydrophobicContact CE2-CG2 4.17Å; F32-T62 HydrophobicContact CZ-CG2 3.62Å; F32-V74 HydrophobicContact CD2-CG1 3.68Å; F32-V74 HydrophobicContact CE2-CG1 3.77Å; F32-S75 PolarHBondContact N-O 3.48Å; F32-I76 HydrophobicContact CB-CG2 4.43Å; F32-F77 PolarHBondContact O-N 3.38Å; F32-I205 CarbonylContact C-O 3.55Å; F32-I205 WeakPolarHBondContact CA-O 3.32Å; F32-I205 HydrophobicContact CD1-CB 3.83Å; F32-I205 HydrophobicContact CD1-CD1 4.26Å; F32-I205 HydrophobicContact CD1-CG2 4.17Å; F32-I205 HydrophobicContact CE1-CB 3.99Å; F32-I205 HydrophobicContact CE1-CD1 3.51Å; F32-I205 HydrophobicContact CE1-CG1 4.25Å; F32-I205 HydrophobicContact CE1-CG2 4.25Å; F32-I205 HydrophobicContact CZ-CD1 3.92Å; F32-W235 HydrophobicContact CD1-CH2 4.09Å; F32-W235 AromaticContact CD1-CZ3 3.86Å; F32-W235 HydrophobicContact CD1-CZ3 3.86Å; F32-W235 HydrophobicContact CE1-CZ3 4.47Å; F32-W235 HydrophobicContact CG-CH2 4.35Å; F32-W235 HydrophobicContact CG-CZ3 4.45Å; F32-F238 HydrophobicContact CE1-CE1 4.17Å; F32-F238 HydrophobicContact CE1-CZ 4.14Å |
| 33 | I | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 98.5 | 161.3 | -57.1 | 177.1 | 0 | 0 | 0 | 107.3 | D35 F77 L204 I205 R206 T207 L213 F216 | I33-D35 HydrophobicContact CG2-CB 4.31Å; I33-D35 PolarHBondContact O-N 3.12Å; I33-F77 HydrophobicContact CG1-CD1 4.35Å; I33-F77 HydrophobicContact CG2-CD1 4.33Å; I33-L204 HydrophobicContact CD1-CD2 3.96Å; I33-L204 HydrophobicContact CG1-CD2 4.33Å; I33-I205 PolarHBondContact N-O 2.92Å; I33-R206 HydrophobicContact CB-CB 3.95Å; I33-R206 HydrophobicContact CB-CG 3.94Å; I33-R206 HydrophobicContact CD1-CB 4.33Å; I33-R206 HydrophobicContact CD1-CG 4.49Å; I33-R206 HydrophobicContact CG2-CG 4.06Å; I33-T207 PolarHBondContact O-N 3.07Å; I33-T207 PolarHBondContact O-OG1 3.25Å; I33-L213 VanDerWaalsContact CD1-O 3.28Å; I33-L213 WeakPolarHBondContact CD1-O 3.41Å; I33-F216 HydrophobicContact CD1-CB 4.08Å; I33-F216 HydrophobicContact CD1-CD1 3.87Å; I33-F216 HydrophobicContact CD1-CG 4.41Å; I33-F216 HydrophobicContact CG1-CB 4.32Å; I33-F216 HydrophobicContact CG1-CD1 3.37Å; I33-F216 HydrophobicContact CG1-CE1 3.97Å; I33-F216 HydrophobicContact CG1-CG 4.15Å |
| 34 | M | 97.7 | Very high | 97.6 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | trans | -78.6 | 61.2 | -174.7 | -59.9 | -175.1 | -63.1 | 0 | 0 | 112 | F32 N37 L59 I76 W235 | F32-M34 HydrophobicContact CB-CG 4.13Å; M34-N37 PolarHBondContact O-ND2 3.44Å; M34-L59 HydrophobicContact CE-CD2 4.48Å; M34-L59 HydrophobicContact SD-CB 4.24Å; M34-L59 HydrophobicContact SD-CD1 3.94Å; M34-L59 HydrophobicContact SD-CD2 4.25Å; M34-L59 HydrophobicContact SD-CG 4.36Å; M34-I76 HydrophobicContact CE-CB 3.98Å; M34-I76 HydrophobicContact CE-CD1 4.32Å; M34-I76 HydrophobicContact SD-CB 4.33Å; M34-I76 HydrophobicContact SD-CG2 4.46Å; M34-W235 HydrophobicContact CB-CB 4.31Å; M34-W235 HydrophobicContact CB-CD2 3.65Å; M34-W235 HydrophobicContact CB-CE3 4.23Å; M34-W235 HydrophobicContact CB-CG 3.65Å; M34-W235 HydrophobicContact CB-CZ2 4.42Å; M34-W235 HydrophobicContact CG-CD2 3.68Å; M34-W235 VanDerWaalsContact CG-CE2 3.45Å; M34-W235 HydrophobicContact CG-CE3 4.03Å; M34-W235 HydrophobicContact CG-CG 4.21Å; M34-W235 HydrophobicContact CG-CH2 3.97Å; M34-W235 HydrophobicContact CG-CZ2 3.59Å; M34-W235 HydrophobicContact CG-CZ3 4.19Å; M34-W235 HydrophobicContact SD-CD2 4.34Å; M34-W235 VanDerWaalsContact SD-CE2 3.5Å; M34-W235 HydrophobicContact SD-CH2 4.23Å; M34-W235 HydrophobicContact SD-CZ2 3.42Å; M34-W235 WeakPolarHBondContact SD-CZ2 3.45Å | ||
| 35 | D | 97.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | trans | -86.7 | 153.7 | -175.3 | -164.2 | 1.3 | 0 | 0 | 0 | 112.4 | I33 R39 R206 T207 S208 W235 | I33-D35 HydrophobicContact CG2-CB 4.31Å; I33-D35 PolarHBondContact O-N 3.12Å; D35-R39 IonicContact OD1-NH2 2.7Å; D35-R39 PolarHBondContact OD1-NH2 3.42Å; D35-R39 IonicContact OD2-NH2 2.77Å; D35-R39 PolarHBondContact OD2-NH2 2.91Å; D35-R39 VanDerWaalsContact OD2-NH2 3.13Å; D35-R206 IonicContact OD2-CZ 3.44Å; D35-R206 IonicContact OD2-NE 2.77Å; D35-R206 IonicContact OD2-NH2 2.78Å; D35-R206 PolarHBondContact OD2-NH2 2.84Å; D35-T207 PolarHBondContact N-OG1 3.14Å; D35-T207 VanDerWaalsContact N-OG1 3.08Å; D35-T207 PolarHBondContact O-OG1 3.45Å; D35-S208 WeakPolarHBondContact CB-OG 3.25Å; D35-S208 VanDerWaalsContact CG-OG 3.24Å; D35-S208 PolarHBondContact OD2-OG 3.07Å; D35-S208 VanDerWaalsContact OD2-OG 3.11Å; D35-W235 VanDerWaalsContact O-CB 3.24Å; D35-W235 WeakPolarHBondContact O-CB 3.43Å; D35-W235 PolarHBondContact O-N 3.43Å | ||
| 36 | G | 97.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | trans | 106.2 | -4.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R38 R39 F40 | G36-R38 VanDerWaalsContact C-N 3.34Å; G36-R38 PolarHBondContact O-N 3.3Å; G36-R39 PolarHBondContact O-N 3.07Å; G36-F40 WeakPolarHBondContact O-CB 3.41Å; G36-F40 PolarHBondContact O-N 3.12Å | ||
| 37 | N | 97.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 13% | 0.128 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.9 | -46.1 | -177 | -60.6 | -55.2 | 0 | 0 | 0 | 113.6 | M34 A41 G55 P236 | M34-N37 PolarHBondContact O-ND2 3.44Å; N37-A41 PolarHBondContact O-N 3.37Å; N37-A41 VanDerWaalsContact O-N 3.13Å; N37-G55 WeakPolarHBondContact OD1-CA 3.38Å; N37-P236 WeakPolarHBondContact OD1-CD 3.39Å; N37-P236 WeakPolarHBondContact OD1-CG 3.25Å |
| 38 | R | 96.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 33% | 0.328 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.2 | -47.3 | 178 | -71.5 | 169.9 | 50 | 164.2 | -14 | 112.2 | G36 F40 A41 D42 K48 E90 | G36-R38 VanDerWaalsContact C-N 3.34Å; G36-R38 PolarHBondContact O-N 3.3Å; R38-F40 VanDerWaalsContact C-N 3.29Å; R38-F40 PolarHBondContact O-N 3.44Å; R38-A41 WeakPolarHBondContact O-CB 3.46Å; R38-A41 PolarHBondContact O-N 2.9Å; R38-A41 VanDerWaalsContact O-N 3.12Å; R38-D42 PolarHBondContact O-N 3.45Å; R38-K48 HydrophobicContact CB-CG 4.45Å; R38-K48 HydrophobicContact CG-CB 4.36Å; R38-K48 HydrophobicContact CG-CD 4.13Å; R38-K48 HydrophobicContact CG-CG 4.13Å; R38-E90 WeakPolarHBondContact CD-OE1 3.34Å; R38-E90 IonicContact CZ-OE2 3.79Å; R38-E90 IonicContact NE-OE2 2.96Å; R38-E90 IonicContact NH1-OE1 2.72Å; R38-E90 IonicContact NH1-OE2 3.27Å; R38-E90 PolarHBondContact NH1-OE2 2.84Å |
| 39 | R | 97.9 | Very high | 97.3 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 179.9 | -75.1 | 176.5 | -82.6 | 153.6 | -4.8 | 112 | D35 G36 G43 S208 Y234 | D35-R39 IonicContact OD1-NH2 2.7Å; D35-R39 PolarHBondContact OD1-NH2 3.42Å; D35-R39 IonicContact OD2-NH2 2.77Å; D35-R39 PolarHBondContact OD2-NH2 2.91Å; D35-R39 VanDerWaalsContact OD2-NH2 3.13Å; G36-R39 PolarHBondContact O-N 3.07Å; R39-G43 PolarHBondContact O-N 3.11Å; R39-S208 PolarHBondContact NH1-O 2.75Å; R39-S208 PolarHBondContact NH2-OG 3.2Å; R39-Y234 HydrophobicContact CB-CD1 4.38Å; R39-Y234 HydrophobicContact CB-CE1 3.9Å; R39-Y234 HydrophobicContact CB-CE2 4.05Å |
| 40 | F | 98.4 | Very high | 97.2 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 170.3 | 170.2 | -94 | 0 | 0 | 0 | 111.3 | G36 R38 D42 G43 K44 H54 Y234 P236 E237 | G36-F40 WeakPolarHBondContact O-CB 3.41Å; G36-F40 PolarHBondContact O-N 3.12Å; R38-F40 VanDerWaalsContact C-N 3.29Å; R38-F40 PolarHBondContact O-N 3.44Å; F40-D42 PolarHBondContact O-N 3.22Å; F40-G43 PolarHBondContact O-N 3.09Å; F40-K44 HydrophobicContact CD2-CG 4.45Å; F40-K44 HydrophobicContact CE1-CG 4.45Å; F40-K44 HydrophobicContact CE2-CG 4.11Å; F40-K44 HydrophobicContact CZ-CG 4.11Å; F40-K44 WeakPolarHBondContact O-CG 3.33Å; F40-K44 PolarHBondContact O-N 2.88Å; F40-K44 VanDerWaalsContact O-N 3.08Å; F40-H54 HydrophobicContact CE1-CB 4.08Å; F40-H54 AromaticContact CE1-CG 3.97Å; F40-Y234 HydrophobicContact CB-CD2 3.91Å; F40-Y234 HydrophobicContact CB-CG 4.28Å; F40-P236 HydrophobicContact CB-CB 4.47Å; F40-P236 HydrophobicContact CB-CG 3.94Å; F40-P236 HydrophobicContact CD1-CB 3.79Å; F40-P236 HydrophobicContact CD1-CG 3.69Å; F40-P236 HydrophobicContact CD2-CB 3.87Å; F40-P236 HydrophobicContact CD2-CG 4.27Å; F40-P236 HydrophobicContact CE1-CB 3.9Å; F40-P236 HydrophobicContact CE1-CG 4.26Å; F40-P236 HydrophobicContact CE2-CB 3.97Å; F40-P236 HydrophobicContact CG-CB 3.77Å; F40-P236 HydrophobicContact CG-CG 3.69Å; F40-P236 HydrophobicContact CZ-CB 3.98Å; F40-E237 HydrophobicContact CD2-CG 3.73Å; F40-E237 HydrophobicContact CE2-CG 3.65Å |
| 41 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | N37 R38 G43 K44 M45 L46 K47 | N37-A41 PolarHBondContact O-N 3.37Å; N37-A41 VanDerWaalsContact O-N 3.13Å; R38-A41 WeakPolarHBondContact O-CB 3.46Å; R38-A41 PolarHBondContact O-N 2.9Å; R38-A41 VanDerWaalsContact O-N 3.12Å; A41-G43 VanDerWaalsContact C-N 3.31Å; A41-G43 PolarHBondContact O-N 2.9Å; A41-K44 CarbonylContact O-C 3.52Å; A41-K44 PolarHBondContact O-N 2.95Å; A41-K44 VanDerWaalsContact O-N 3.08Å; A41-M45 PolarHBondContact O-N 2.97Å; A41-L46 HydrophobicContact CB-CB 4.26Å; A41-L46 PolarHBondContact O-N 2.83Å; A41-K47 WeakPolarHBondContact CB-O 3.29Å |
| 42 | D | 97.7 | Very high | 96.9 | Very high | 92 Ų | 92 | 54.5 Ų | 54.5 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 178 | -62.1 | -28.5 | 0 | 0 | 0 | 110.7 | R38 F40 K44 M45 | R38-D42 PolarHBondContact O-N 3.45Å; F40-D42 PolarHBondContact O-N 3.22Å; D42-K44 VanDerWaalsContact C-N 3.26Å; D42-K44 PolarHBondContact O-N 3.26Å; D42-M45 PolarHBondContact O-N 3.38Å |
| 43 | G | 96.9 | Very high | 96.7 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.2 | -18.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | R39 F40 A41 | R39-G43 PolarHBondContact O-N 3.11Å; F40-G43 PolarHBondContact O-N 3.09Å; A41-G43 VanDerWaalsContact C-N 3.31Å; A41-G43 PolarHBondContact O-N 2.9Å |
| 44 | K | 96.6 | Very high | 96.6 | Very high | 116 Ų | 116 | 61.5 Ų | 61.5 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 5.7 | 175 | -61.4 | -63.7 | -177.1 | -175.1 | 0 | 113.1 | F40 A41 D42 L46 | F40-K44 HydrophobicContact CD2-CG 4.45Å; F40-K44 HydrophobicContact CE1-CG 4.45Å; F40-K44 HydrophobicContact CE2-CG 4.11Å; F40-K44 HydrophobicContact CZ-CG 4.11Å; F40-K44 WeakPolarHBondContact O-CG 3.33Å; F40-K44 PolarHBondContact O-N 2.88Å; F40-K44 VanDerWaalsContact O-N 3.08Å; A41-K44 CarbonylContact O-C 3.52Å; A41-K44 PolarHBondContact O-N 2.95Å; A41-K44 VanDerWaalsContact O-N 3.08Å; D42-K44 VanDerWaalsContact C-N 3.26Å; D42-K44 PolarHBondContact O-N 3.26Å; K44-L46 HydrophobicContact CB-CD1 3.88Å; K44-L46 HydrophobicContact CB-CG 3.85Å; K44-L46 PolarHBondContact O-N 2.74Å |
| 45 | M | 96.7 | Very high | 96.5 | Very high | 185 Ų | 185 | 60.5 Ų | 60.5 | 91% | 0.911 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 33.4 | -174.2 | -52.6 | -179 | -175.3 | 0 | 0 | 113.3 | A41 D42 | A41-M45 PolarHBondContact O-N 2.97Å; D42-M45 PolarHBondContact O-N 3.38Å |
| 46 | L | 96.4 | Very high | 96.2 | Very high | 70 Ų | 70 | 60.2 Ų | 60.2 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | trans | -99.9 | 167.1 | 177.9 | -62.8 | 177.2 | 0 | 0 | 0 | 111.1 | A41 K44 D50 | A41-L46 HydrophobicContact CB-CB 4.26Å; A41-L46 PolarHBondContact O-N 2.83Å; K44-L46 HydrophobicContact CB-CD1 3.88Å; K44-L46 HydrophobicContact CB-CG 3.85Å; K44-L46 PolarHBondContact O-N 2.74Å; L46-D50 HydrophobicContact CB-CB 4.07Å; L46-D50 HydrophobicContact CD1-CB 4.38Å | ||
| 47 | K | 95.6 | Very high | 96 | Very high | 153 Ų | 153 | 63.3 Ų | 63.3 | 67% | 0.665 | 32% | 0.32 | S | S | * | . | trans | -71.5 | 148.9 | 170.8 | -61.9 | 177.4 | -178.8 | 175.9 | 0 | 109.3 | A41 S49 D50 G51 | A41-K47 WeakPolarHBondContact CB-O 3.29Å; K47-S49 VanDerWaalsContact CB-OG 3.24Å; K47-S49 WeakPolarHBondContact CB-OG 3.41Å; K47-S49 PolarHBondContact O-N 2.77Å; K47-S49 VanDerWaalsContact O-N 3.14Å; K47-D50 WeakPolarHBondContact CB-OD2 3.33Å; K47-D50 PolarHBondContact N-OD2 3.19Å; K47-D50 WeakPolarHBondContact O-CA 3.29Å; K47-D50 VanDerWaalsContact O-CB 3.32Å; K47-D50 WeakPolarHBondContact O-CB 3.23Å; K47-D50 PolarHBondContact O-N 3.44Å; K47-G51 PolarHBondContact O-N 2.87Å | ||
| 48 | K | 95.1 | Very high | 95.9 | Very high | 84 Ų | 84 | 63.5 Ų | 63.5 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.1 | -33.3 | 173.8 | -68 | 175.8 | -177 | 168.2 | 0 | 112.5 | R38 D50 G51 H52 | R38-K48 HydrophobicContact CB-CG 4.45Å; R38-K48 HydrophobicContact CG-CB 4.36Å; R38-K48 HydrophobicContact CG-CD 4.13Å; R38-K48 HydrophobicContact CG-CG 4.13Å; K48-D50 VanDerWaalsContact C-N 3.28Å; K48-D50 PolarHBondContact O-N 3.22Å; K48-G51 PolarHBondContact O-N 3.4Å; K48-H52 PolarHBondContact O-CD2 2.91Å; K48-H52 PolarHBondContact O-N 3.48Å; K48-H52 VanDerWaalsContact O-N 3.1Å |
| 49 | S | 94.5 | Very high | 95.8 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.2 | -43.7 | 171.9 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | K47 G51 H52 L53 F93 | K47-S49 VanDerWaalsContact CB-OG 3.24Å; K47-S49 WeakPolarHBondContact CB-OG 3.41Å; K47-S49 PolarHBondContact O-N 2.77Å; K47-S49 VanDerWaalsContact O-N 3.14Å; S49-G51 VanDerWaalsContact C-N 3.34Å; S49-G51 PolarHBondContact O-N 2.72Å; S49-H52 PolarHBondContact O-N 2.9Å; S49-L53 WeakPolarHBondContact O-CG 3.15Å; S49-L53 PolarHBondContact O-N 3.4Å; S49-F93 VanDerWaalsContact CB-CE2 3.43Å |
| 50 | D | 95.6 | Very high | 95.6 | Very high | 49 Ų | 49 | 57 Ų | 57 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68 | -38 | -179.2 | -50.3 | -29.7 | 0 | 0 | 0 | 110.4 | L46 K47 K48 H52 L53 H54 | L46-D50 HydrophobicContact CB-CB 4.07Å; L46-D50 HydrophobicContact CD1-CB 4.38Å; K47-D50 WeakPolarHBondContact CB-OD2 3.33Å; K47-D50 PolarHBondContact N-OD2 3.19Å; K47-D50 WeakPolarHBondContact O-CA 3.29Å; K47-D50 VanDerWaalsContact O-CB 3.32Å; K47-D50 WeakPolarHBondContact O-CB 3.23Å; K47-D50 PolarHBondContact O-N 3.44Å; K48-D50 VanDerWaalsContact C-N 3.28Å; K48-D50 PolarHBondContact O-N 3.22Å; D50-H52 VanDerWaalsContact C-N 3.35Å; D50-H52 PolarHBondContact O-N 3.4Å; D50-L53 PolarHBondContact O-N 3.49Å; D50-H54 PolarHBondContact O-N 3.36Å; D50-H54 PolarHBondContact O-ND1 3.29Å |
| 51 | G | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | K47 K48 S49 H54 G55 | K47-G51 PolarHBondContact O-N 2.87Å; K48-G51 PolarHBondContact O-N 3.4Å; S49-G51 VanDerWaalsContact C-N 3.34Å; S49-G51 PolarHBondContact O-N 2.72Å; G51-H54 PolarHBondContact O-N 3.27Å; G51-G55 PolarHBondContact O-N 2.91Å |
| 52 | H | 94.9 | Very high | 95.2 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -39.4 | 175.2 | -67.1 | -52.1 | 0 | 0 | 0 | 112.1 | K48 S49 D50 G55 F56 E90 F93 L94 L97 | K48-H52 PolarHBondContact O-CD2 2.91Å; K48-H52 PolarHBondContact O-N 3.48Å; K48-H52 VanDerWaalsContact O-N 3.1Å; S49-H52 PolarHBondContact O-N 2.9Å; D50-H52 VanDerWaalsContact C-N 3.35Å; D50-H52 PolarHBondContact O-N 3.4Å; H52-G55 PolarHBondContact O-N 3.46Å; H52-F56 PolarHBondContact O-N 3.11Å; H52-E90 IonicContact CE1-OE1 2.75Å; H52-E90 IonicContact NE2-OE1 3.83Å; H52-E90 PolarHBondContact NE2-OE1 2.89Å; H52-F93 HydrophobicContact CB-CE1 4.07Å; H52-L94 HydrophobicContact CB-CD2 4.31Å; H52-L97 HydrophobicContact CB-CD2 4.21Å |
| 53 | L | 94.2 | Very high | 95.1 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 174.7 | -71 | 171.1 | 0 | 0 | 0 | 112.1 | S49 D50 G55 F56 T57 F93 L97 | S49-L53 WeakPolarHBondContact O-CG 3.15Å; S49-L53 PolarHBondContact O-N 3.4Å; D50-L53 PolarHBondContact O-N 3.49Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 3.18Å; L53-F56 WeakPolarHBondContact O-CB 3.35Å; L53-F56 PolarHBondContact O-N 2.66Å; L53-T57 PolarHBondContact O-N 2.99Å; L53-T57 PolarHBondContact O-OG1 3.17Å; L53-F93 HydrophobicContact CG-CZ 4.4Å; L53-L97 HydrophobicContact CD2-CD1 3.69Å; L53-L97 HydrophobicContact CD2-CD2 4.48Å |
| 54 | H | 95.8 | Very high | 94.9 | Very high | 90 Ų | 90 | 51.9 Ų | 51.9 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175 | -74.4 | 77.1 | 0 | 0 | 0 | 111.7 | F40 D50 G51 F56 T57 K58 P236 | F40-H54 HydrophobicContact CE1-CB 4.08Å; F40-H54 AromaticContact CE1-CG 3.97Å; D50-H54 PolarHBondContact O-N 3.36Å; D50-H54 PolarHBondContact O-ND1 3.29Å; G51-H54 PolarHBondContact O-N 3.27Å; H54-F56 VanDerWaalsContact C-N 3.25Å; H54-F56 PolarHBondContact O-N 3.27Å; H54-T57 PolarHBondContact O-N 2.83Å; H54-K58 PolarHBondContact O-N 2.9Å; H54-P236 HydrophobicContact CB-CB 3.96Å; H54-P236 HydrophobicContact CB-CG 4.31Å |
| 55 | G | 96 | Very high | 94.9 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N37 G51 H52 L53 K58 L59 W235 | N37-G55 WeakPolarHBondContact OD1-CA 3.38Å; G51-G55 PolarHBondContact O-N 2.91Å; H52-G55 PolarHBondContact O-N 3.46Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 3.18Å; G55-K58 PolarHBondContact O-N 3.42Å; G55-L59 PolarHBondContact O-N 3.18Å; G55-W235 PolarHBondContact O-NE1 3.11Å |
| 56 | F | 92.1 | Very high | 94.9 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -44.9 | 175.1 | -175.9 | -93.7 | 0 | 0 | 0 | 112.7 | M1 H52 L53 H54 K58 L59 S60 K101 | M1-F56 HydrophobicContact CB-CE1 4.26Å; M1-F56 HydrophobicContact CB-CZ 3.93Å; M1-F56 HydrophobicContact CE-CD2 4.21Å; M1-F56 HydrophobicContact CE-CE1 4.13Å; M1-F56 HydrophobicContact CE-CE2 3.16Å; M1-F56 HydrophobicContact CE-CZ 3.11Å; M1-F56 HydrophobicContact CG-CE1 4.44Å; M1-F56 HydrophobicContact CG-CZ 4.06Å; M1-F56 HydrophobicContact SD-CZ 4.28Å; H52-F56 PolarHBondContact O-N 3.11Å; L53-F56 WeakPolarHBondContact O-CB 3.35Å; L53-F56 PolarHBondContact O-N 2.66Å; H54-F56 VanDerWaalsContact C-N 3.25Å; H54-F56 PolarHBondContact O-N 3.27Å; F56-K58 PolarHBondContact O-N 2.88Å; F56-L59 WeakPolarHBondContact O-CB 3.4Å; F56-L59 PolarHBondContact O-N 3.03Å; F56-L59 VanDerWaalsContact O-N 3.16Å; F56-S60 PolarHBondContact O-N 3.05Å; F56-K101 HydrophobicContact CD1-CD 4.19Å; F56-K101 HydrophobicContact CD1-CG 4.42Å; F56-K101 HydrophobicContact CD2-CG 3.96Å; F56-K101 HydrophobicContact CE1-CD 3.49Å; F56-K101 VanDerWaalsContact CE1-CD 3.49Å; F56-K101 HydrophobicContact CE1-CG 3.92Å; F56-K101 HydrophobicContact CE2-CB 3.62Å; F56-K101 HydrophobicContact CE2-CD 3.93Å; F56-K101 HydrophobicContact CE2-CG 3.38Å; F56-K101 HydrophobicContact CG-CG 4.42Å; F56-K101 HydrophobicContact CZ-CB 3.67Å; F56-K101 HydrophobicContact CZ-CD 3.32Å; F56-K101 HydrophobicContact CZ-CG 3.34Å |
| 57 | T | 92.1 | Very high | 94.7 | Very high | 66 Ų | 66 | 36.7 Ų | 36.7 | 41% | 0.405 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.7 | -41.8 | 174.1 | -58 | 0 | 0 | 0 | 0 | 111.3 | L53 H54 L59 S60 E61 | L53-T57 PolarHBondContact O-N 2.99Å; L53-T57 PolarHBondContact O-OG1 3.17Å; H54-T57 PolarHBondContact O-N 2.83Å; T57-L59 VanDerWaalsContact C-N 3.31Å; T57-L59 PolarHBondContact O-N 3.49Å; T57-S60 PolarHBondContact O-N 3.09Å; T57-E61 PolarHBondContact O-N 3.03Å |
| 58 | K | 95.8 | Very high | 94.6 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 12% | 0.122 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.7 | -35.4 | 178 | -176.6 | 53.2 | 60.7 | 178.7 | 0 | 113.3 | H54 G55 F56 E61 T62 W65 W235 P236 F238 | H54-K58 PolarHBondContact O-N 2.9Å; G55-K58 PolarHBondContact O-N 3.42Å; F56-K58 PolarHBondContact O-N 2.88Å; K58-E61 IonicContact NZ-OE2 2.93Å; K58-E61 PolarHBondContact NZ-OE2 3.19Å; K58-E61 PolarHBondContact O-N 3.38Å; K58-T62 WeakPolarHBondContact O-CB 3.47Å; K58-T62 PolarHBondContact O-N 3.25Å; K58-T62 PolarHBondContact O-OG1 2.85Å; K58-W65 HydrophobicContact CD-CH2 4.24Å; K58-W235 HydrophobicContact CG-CZ2 4.33Å; K58-W235 WeakPolarHBondContact CG-O 3.5Å; K58-P236 WeakPolarHBondContact CE-O 3.43Å; K58-F238 HydrophobicContact CD-CB 4.37Å; K58-F238 WeakPolarHBondContact CD-O 3.4Å; K58-F238 WeakPolarHBondContact CE-O 3.24Å; K58-F238 HydrophobicContact CG-CB 4.19Å; K58-F238 PolarHBondContact NZ-O 3.09Å; K58-F238 VanDerWaalsContact NZ-O 3.08Å |
| 59 | L | 95.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 174.3 | 171.4 | 62.1 | 0 | 0 | 0 | 111.1 | M1 M34 G55 F56 T57 E61 T62 L63 I76 W235 | M1-L59 HydrophobicContact CE-CD2 4.24Å; M34-L59 HydrophobicContact CE-CD2 4.48Å; M34-L59 HydrophobicContact SD-CB 4.24Å; M34-L59 HydrophobicContact SD-CD1 3.94Å; M34-L59 HydrophobicContact SD-CD2 4.25Å; M34-L59 HydrophobicContact SD-CG 4.36Å; G55-L59 PolarHBondContact O-N 3.18Å; F56-L59 WeakPolarHBondContact O-CB 3.4Å; F56-L59 PolarHBondContact O-N 3.03Å; F56-L59 VanDerWaalsContact O-N 3.16Å; T57-L59 VanDerWaalsContact C-N 3.31Å; T57-L59 PolarHBondContact O-N 3.49Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-E61 PolarHBondContact O-N 3.14Å; L59-T62 PolarHBondContact O-N 3.35Å; L59-T62 VanDerWaalsContact O-N 3.14Å; L59-L63 HydrophobicContact CD1-CD1 3.63Å; L59-L63 HydrophobicContact CD1-CD2 4.1Å; L59-L63 HydrophobicContact CD1-CG 3.74Å; L59-L63 HydrophobicContact CG-CD1 3.69Å; L59-L63 HydrophobicContact CG-CG 4.3Å; L59-L63 WeakPolarHBondContact O-CD1 3.48Å; L59-L63 WeakPolarHBondContact O-CG 3.31Å; L59-L63 PolarHBondContact O-N 3.21Å; L59-I76 HydrophobicContact CD1-CD1 4.07Å; L59-I76 HydrophobicContact CD1-CG2 3.77Å; L59-I76 HydrophobicContact CD2-CD1 3.46Å; L59-I76 VanDerWaalsContact CD2-CD1 3.46Å; L59-I76 HydrophobicContact CG-CD1 4.4Å; L59-W235 HydrophobicContact CB-CZ2 4.02Å; L59-W235 HydrophobicContact CD1-CZ2 4.32Å |
| 60 | S | 92.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 28.2 Ų | 28.2 | 13% | 0.133 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 178.3 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | F56 T57 Q64 | F56-S60 PolarHBondContact O-N 3.05Å; T57-S60 PolarHBondContact O-N 3.09Å; S60-Q64 PolarHBondContact O-N 3.3Å |
| 61 | E | 93.2 | Very high | 94.7 | Very high | 48 Ų | 48 | 26.1 Ų | 26.1 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 174.9 | -68.2 | 173 | -146.8 | 0 | 0 | 111.9 | T57 K58 L59 L63 Q64 W65 | T57-E61 PolarHBondContact O-N 3.03Å; K58-E61 IonicContact NZ-OE2 2.93Å; K58-E61 PolarHBondContact NZ-OE2 3.19Å; K58-E61 PolarHBondContact O-N 3.38Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-E61 PolarHBondContact O-N 3.14Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 2.97Å; E61-Q64 PolarHBondContact O-N 3.48Å; E61-W65 HydrophobicContact CB-CH2 4.37Å; E61-W65 HydrophobicContact CB-CZ2 3.86Å; E61-W65 VanDerWaalsContact O-CD1 3.25Å; E61-W65 VanDerWaalsContact O-CG 3.28Å; E61-W65 PolarHBondContact O-N 3.49Å; E61-W65 VanDerWaalsContact O-N 3.11Å; E61-W65 PolarHBondContact O-NE1 2.87Å |
| 62 | T | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.7 | -39 | -176.8 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | F32 K58 L59 Q64 W65 C66 W235 F238 | F32-T62 HydrophobicContact CE1-CG2 3.84Å; F32-T62 HydrophobicContact CE2-CG2 4.17Å; F32-T62 HydrophobicContact CZ-CG2 3.62Å; K58-T62 WeakPolarHBondContact O-CB 3.47Å; K58-T62 PolarHBondContact O-N 3.25Å; K58-T62 PolarHBondContact O-OG1 2.85Å; L59-T62 PolarHBondContact O-N 3.35Å; L59-T62 VanDerWaalsContact O-N 3.14Å; T62-Q64 VanDerWaalsContact C-N 3.34Å; T62-W65 HydrophobicContact CG2-CE3 4.36Å; T62-W65 WeakPolarHBondContact O-CB 3.3Å; T62-W65 PolarHBondContact O-N 3.4Å; T62-C66 PolarHBondContact O-N 2.93Å; T62-C66 PolarHBondContact O-SG 3.16Å; T62-W235 HydrophobicContact CG2-CH2 4.05Å; T62-F238 HydrophobicContact CG2-CD1 4.32Å; T62-F238 HydrophobicContact CG2-CE1 3.87Å |
| 63 | L | 95.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 177.6 | -66.5 | 162.8 | 0 | 0 | 0 | 111.9 | W3 L59 E61 C66 R67 V74 L151 | W3-L63 HydrophobicContact CD2-CD1 4.22Å; W3-L63 HydrophobicContact CE3-CD1 3.86Å; W3-L63 HydrophobicContact CH2-CB 4.25Å; W3-L63 HydrophobicContact CH2-CD1 3.07Å; W3-L63 HydrophobicContact CH2-CD2 3.47Å; W3-L63 VanDerWaalsContact CH2-CD2 3.47Å; W3-L63 HydrophobicContact CH2-CG 3.72Å; W3-L63 HydrophobicContact CZ2-CB 3.93Å; W3-L63 HydrophobicContact CZ2-CD1 3.62Å; W3-L63 HydrophobicContact CZ2-CD2 3.55Å; W3-L63 HydrophobicContact CZ2-CG 3.86Å; W3-L63 HydrophobicContact CZ3-CD1 3.22Å; W3-L63 HydrophobicContact CZ3-CD2 4.48Å; W3-L63 HydrophobicContact CZ3-CG 4.32Å; L59-L63 HydrophobicContact CD1-CD1 3.63Å; L59-L63 HydrophobicContact CD1-CD2 4.1Å; L59-L63 HydrophobicContact CD1-CG 3.74Å; L59-L63 HydrophobicContact CG-CD1 3.69Å; L59-L63 HydrophobicContact CG-CG 4.3Å; L59-L63 WeakPolarHBondContact O-CD1 3.48Å; L59-L63 WeakPolarHBondContact O-CG 3.31Å; L59-L63 PolarHBondContact O-N 3.21Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 2.97Å; L63-C66 WeakPolarHBondContact O-CB 3.46Å; L63-C66 PolarHBondContact O-N 3.35Å; L63-R67 WeakPolarHBondContact O-CG 3.49Å; L63-R67 PolarHBondContact O-N 3.18Å; L63-V74 HydrophobicContact CD2-CB 4.04Å; L63-V74 HydrophobicContact CD2-CG1 3.79Å; L63-V74 HydrophobicContact CD2-CG2 4.25Å; L63-L151 HydrophobicContact CD2-CD1 4.13Å |
| 64 | Q | 92.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 25.1 Ų | 25.1 | 8% | 0.084 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 173 | -172.6 | 62.4 | 52.6 | 0 | 0 | 110.9 | W3 V8 S60 E61 T62 C66 R67 D68 | W3-Q64 PolarHBondContact O-OE1 3.31Å; V8-Q64 HydrophobicContact CB-CG 4.27Å; V8-Q64 HydrophobicContact CG2-CB 4Å; V8-Q64 HydrophobicContact CG2-CG 3.56Å; S60-Q64 PolarHBondContact O-N 3.3Å; E61-Q64 PolarHBondContact O-N 3.48Å; T62-Q64 VanDerWaalsContact C-N 3.34Å; Q64-C66 VanDerWaalsContact C-N 3.27Å; Q64-C66 PolarHBondContact O-N 2.91Å; Q64-R67 PolarHBondContact O-N 3.39Å; Q64-D68 PolarHBondContact NE2-OD1 3.26Å; Q64-D68 WeakPolarHBondContact O-CB 3.38Å; Q64-D68 PolarHBondContact O-N 2.85Å |
| 65 | W | 95.6 | Very high | 95.3 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 176 | -53.2 | -21.6 | 0 | 0 | 0 | 112 | Y10 K58 E61 T62 D68 I69 F238 W240 F243 | Y10-W65 VanDerWaalsContact OH-CD1 3.29Å; K58-W65 HydrophobicContact CD-CH2 4.24Å; E61-W65 HydrophobicContact CB-CH2 4.37Å; E61-W65 HydrophobicContact CB-CZ2 3.86Å; E61-W65 VanDerWaalsContact O-CD1 3.25Å; E61-W65 VanDerWaalsContact O-CG 3.28Å; E61-W65 PolarHBondContact O-N 3.49Å; E61-W65 VanDerWaalsContact O-N 3.11Å; E61-W65 PolarHBondContact O-NE1 2.87Å; T62-W65 HydrophobicContact CG2-CE3 4.36Å; T62-W65 WeakPolarHBondContact O-CB 3.3Å; T62-W65 PolarHBondContact O-N 3.4Å; W65-D68 PolarHBondContact O-N 3.4Å; W65-I69 PolarHBondContact O-N 3.19Å; W65-F238 HydrophobicContact CE3-CE1 4.49Å; W65-F238 AromaticContact CZ3-CD1 3.97Å; W65-F238 HydrophobicContact CZ3-CD1 3.97Å; W65-F238 HydrophobicContact CZ3-CE1 4.05Å; W65-W240 AromaticContact CD1-CD1 3.78Å; W65-W240 AromaticContact CD2-CD1 3.75Å; W65-W240 AromaticContact CE2-CD1 3.74Å; W65-W240 AromaticContact CG-CD1 3.8Å; W65-W240 HydrophobicContact CH2-CB 4.17Å; W65-W240 HydrophobicContact CZ2-CB 4Å; W65-W240 HydrophobicContact CZ3-CB 4.5Å; W65-W240 AromaticContact NE1-CD1 3.73Å; W65-F243 HydrophobicContact CB-CD1 3.84Å; W65-F243 HydrophobicContact CB-CE1 3.67Å; W65-F243 HydrophobicContact CB-CG 4.34Å; W65-F243 HydrophobicContact CB-CZ 4.05Å; W65-F243 HydrophobicContact CE3-CB 3.73Å; W65-F243 HydrophobicContact CE3-CD1 4.3Å; W65-F243 AromaticContact CE3-CG 3.94Å; W65-F243 HydrophobicContact CE3-CG 3.94Å; W65-F243 HydrophobicContact CZ3-CB 4.11Å |
| 66 | C | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 176.4 | -68 | 0 | 0 | 0 | 0 | 111.6 | T62 L63 Q64 I69 G70 I71 V74 | T62-C66 PolarHBondContact O-N 2.93Å; T62-C66 PolarHBondContact O-SG 3.16Å; L63-C66 WeakPolarHBondContact O-CB 3.46Å; L63-C66 PolarHBondContact O-N 3.35Å; Q64-C66 VanDerWaalsContact C-N 3.27Å; Q64-C66 PolarHBondContact O-N 2.91Å; C66-I69 WeakPolarHBondContact O-CG1 3.49Å; C66-I69 PolarHBondContact O-N 3.28Å; C66-G70 PolarHBondContact O-N 2.98Å; C66-I71 HydrophobicContact CB-CB 3.96Å; C66-I71 HydrophobicContact CB-CD1 3.86Å; C66-I71 HydrophobicContact CB-CG1 4.43Å; C66-I71 HydrophobicContact CB-CG2 4.31Å; C66-I71 WeakPolarHBondContact O-CB 3.5Å; C66-I71 PolarHBondContact O-N 2.98Å; C66-V74 HydrophobicContact CB-CG2 3.97Å |
| 67 | R | 93.4 | Very high | 95.6 | Very high | 41 Ų | 41 | 20.4 Ų | 20.4 | 16% | 0.155 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 178.5 | -69 | 178.8 | 73.1 | -139.6 | -0 | 112.2 | L63 Q64 I69 G70 D115 | L63-R67 WeakPolarHBondContact O-CG 3.49Å; L63-R67 PolarHBondContact O-N 3.18Å; Q64-R67 PolarHBondContact O-N 3.39Å; R67-I69 PolarHBondContact O-N 3.47Å; R67-G70 PolarHBondContact O-N 2.76Å; R67-D115 IonicContact CZ-OD1 2.91Å; R67-D115 IonicContact NH1-OD1 3.59Å; R67-D115 PolarHBondContact NH1-OD1 3.45Å; R67-D115 VanDerWaalsContact NH2-CG 3.35Å; R67-D115 PolarHBondContact NH2-O 2.78Å; R67-D115 IonicContact NH2-OD1 2.69Å; R67-D115 PolarHBondContact NH2-OD1 3.13Å |
| 68 | D | 92.8 | Very high | 95.7 | Very high | 46 Ų | 46 | 20 Ų | 20 | 25% | 0.246 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.3 | -28.9 | -177.1 | -71.4 | -14.5 | 0 | 0 | 0 | 112.7 | Y10 K22 Q64 W65 | Y10-D68 VanDerWaalsContact CE2-OD2 3.25Å; Y10-D68 WeakPolarHBondContact CE2-OD2 3.38Å; Y10-D68 VanDerWaalsContact CZ-OD2 3.26Å; Y10-D68 PolarHBondContact OH-OD2 3.38Å; K22-D68 WeakPolarHBondContact CE-O 3.12Å; K22-D68 PolarHBondContact NZ-O 2.59Å; Q64-D68 PolarHBondContact NE2-OD1 3.26Å; Q64-D68 WeakPolarHBondContact O-CB 3.38Å; Q64-D68 PolarHBondContact O-N 2.85Å; W65-D68 PolarHBondContact O-N 3.4Å |
| 69 | I | 94.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 18.9 Ų | 18.9 | 4% | 0.036 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -93 | -9.5 | 175.5 | 72.1 | 162.7 | 0 | 0 | 0 | 114 | L18 I21 I26 W65 C66 R67 I71 F243 I247 | L18-I69 HydrophobicContact CD2-CG2 3.51Å; I21-I69 HydrophobicContact CD1-CB 4.48Å; I21-I69 HydrophobicContact CD1-CG2 3.71Å; I26-I69 HydrophobicContact CG2-CD1 4.44Å; W65-I69 PolarHBondContact O-N 3.19Å; C66-I69 WeakPolarHBondContact O-CG1 3.49Å; C66-I69 PolarHBondContact O-N 3.28Å; R67-I69 PolarHBondContact O-N 3.47Å; I69-I71 HydrophobicContact CD1-CD1 3.74Å; I69-I71 HydrophobicContact CD1-CG1 3.96Å; I69-I71 HydrophobicContact CG1-CD1 4.07Å; I69-I71 HydrophobicContact CG1-CG1 3.98Å; I69-F243 HydrophobicContact CD1-CE1 3.87Å; I69-F243 HydrophobicContact CD1-CZ 3.47Å; I69-F243 VanDerWaalsContact CD1-CZ 3.47Å; I69-F243 HydrophobicContact CG1-CE1 4.34Å; I69-F243 HydrophobicContact CG1-CZ 3.98Å; I69-F243 HydrophobicContact CG2-CE1 4.24Å; I69-I247 HydrophobicContact CD1-CD1 3.74Å; I69-I247 HydrophobicContact CD1-CG1 3.72Å; I69-I247 HydrophobicContact CD1-CG2 4.24Å |
| 70 | G | 94.9 | Very high | 95.7 | Very high | 34 Ų | 34 | 18.9 Ų | 18.9 | 35% | 0.351 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 26.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C66 R67 | C66-G70 PolarHBondContact O-N 2.98Å; R67-G70 PolarHBondContact O-N 2.76Å |
| 71 | I | 97.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | trans | -67.6 | 131.4 | 163.8 | -67.1 | 167.6 | 0 | 0 | 0 | 108 | I26 P27 V30 C66 I69 E73 V74 F243 I247 | I26-I71 HydrophobicContact CG2-CG1 4.16Å; P27-I71 HydrophobicContact CG-CD1 4.41Å; P27-I71 HydrophobicContact CG-CG1 4.34Å; P27-I71 WeakPolarHBondContact O-CG1 3.46Å; V30-I71 HydrophobicContact CB-CD1 4.38Å; V30-I71 HydrophobicContact CB-CG2 4.42Å; V30-I71 HydrophobicContact CG2-CD1 3.52Å; V30-I71 HydrophobicContact CG2-CG1 4.05Å; V30-I71 HydrophobicContact CG2-CG2 4Å; C66-I71 HydrophobicContact CB-CB 3.96Å; C66-I71 HydrophobicContact CB-CD1 3.86Å; C66-I71 HydrophobicContact CB-CG1 4.43Å; C66-I71 HydrophobicContact CB-CG2 4.31Å; C66-I71 WeakPolarHBondContact O-CB 3.5Å; C66-I71 PolarHBondContact O-N 2.98Å; I69-I71 HydrophobicContact CD1-CD1 3.74Å; I69-I71 HydrophobicContact CD1-CG1 3.96Å; I69-I71 HydrophobicContact CG1-CD1 4.07Å; I69-I71 HydrophobicContact CG1-CG1 3.98Å; I71-E73 WeakPolarHBondContact CG2-O 3.32Å; I71-V74 HydrophobicContact CG2-CG2 3.89Å; I71-F243 HydrophobicContact CD1-CE2 4.07Å; I71-F243 HydrophobicContact CD1-CZ 4.03Å; I71-I247 HydrophobicContact CD1-CD1 4.1Å | ||
| 72 | E | 97.5 | Very high | 96.1 | Very high | 57 Ų | 57 | 20.8 Ų | 20.8 | 27% | 0.266 | 11% | 0.114 | S | C | . | . | trans | -96.5 | -31.8 | -171.9 | -65.8 | 171 | -158.2 | 0 | 0 | 112.3 | K28 S149 I150 K199 | K28-E72 HydrophobicContact CD-CG 4.33Å; K28-E72 WeakPolarHBondContact CD-OE1 3.48Å; K28-E72 WeakPolarHBondContact CE-OE1 3.45Å; K28-E72 IonicContact NZ-OE1 3.95Å; K28-E72 PolarHBondContact NZ-OE1 2.78Å; K28-E72 PolarHBondContact O-N 3.26Å; K28-E72 VanDerWaalsContact O-N 3.09Å; E72-S149 CarbonylContact O-C 3.49Å; E72-S149 WeakPolarHBondContact O-CA 3.33Å; E72-I150 PolarHBondContact O-N 3.47Å; E72-K199 HydrophobicContact CB-CD 4.24Å; E72-K199 WeakPolarHBondContact OE2-CE 3.4Å; E72-K199 IonicContact OE2-NZ 2.74Å; E72-K199 PolarHBondContact OE2-NZ 3.47Å | ||
| 73 | E | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 133.3 | -178.4 | -173.5 | 161.4 | -175.1 | 0 | 0 | 111.1 | K28 H29 V30 I71 R120 I150 N152 S198 K199 | K28-E73 PolarHBondContact O-N 2.9Å; H29-E73 CarbonylContact C-O 3.6Å; H29-E73 VanDerWaalsContact CA-O 3.25Å; H29-E73 WeakPolarHBondContact CA-O 3.44Å; H29-E73 HydrophobicContact CB-CB 4.2Å; H29-E73 PolarHBondContact CD2-O 3.22Å; V30-E73 PolarHBondContact N-O 3.27Å; I71-E73 WeakPolarHBondContact CG2-O 3.32Å; E73-R120 IonicContact OE1-NH1 3.76Å; E73-R120 PolarHBondContact OE1-NH1 3.38Å; E73-R120 VanDerWaalsContact OE1-NH1 3.14Å; E73-I150 CarbonylContact C-O 3.51Å; E73-I150 WeakPolarHBondContact CA-O 3.31Å; E73-I150 HydrophobicContact CB-CB 4.09Å; E73-I150 HydrophobicContact CG-CB 3.83Å; E73-I150 HydrophobicContact CG-CG2 3.73Å; E73-N152 PolarHBondContact OE1-ND2 2.96Å; E73-S198 VanDerWaalsContact OE1-CA 3.25Å; E73-S198 WeakPolarHBondContact OE1-CA 2.76Å; E73-S198 WeakPolarHBondContact OE1-CB 3.27Å; E73-S198 PolarHBondContact OE1-OG 3.07Å; E73-S198 WeakPolarHBondContact OE2-CA 3.48Å; E73-K199 HydrophobicContact CB-CD 4.35Å; E73-K199 PolarHBondContact OE2-N 3.32Å |
| 74 | V | 98.6 | Very high | 96 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 6% | 0.055 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.5 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | V30 F32 L63 C66 I71 I76 I150 L151 N152 | V30-V74 CarbonylContact O-C 3.6Å; V30-V74 VanDerWaalsContact O-CA 3.22Å; V30-V74 WeakPolarHBondContact O-CA 3.49Å; F32-V74 HydrophobicContact CD2-CG1 3.68Å; F32-V74 HydrophobicContact CE2-CG1 3.77Å; L63-V74 HydrophobicContact CD2-CB 4.04Å; L63-V74 HydrophobicContact CD2-CG1 3.79Å; L63-V74 HydrophobicContact CD2-CG2 4.25Å; C66-V74 HydrophobicContact CB-CG2 3.97Å; I71-V74 HydrophobicContact CG2-CG2 3.89Å; V74-I76 HydrophobicContact CG1-CG2 3.96Å; V74-I150 PolarHBondContact N-O 2.87Å; V74-L151 HydrophobicContact CB-CD1 4.35Å; V74-L151 HydrophobicContact CG1-CD1 4.43Å; V74-L151 CarbonylContact O-C 3.49Å; V74-L151 WeakPolarHBondContact O-CA 3.44Å; V74-L151 WeakPolarHBondContact O-CD1 3.46Å; V74-N152 PolarHBondContact O-N 3.18Å |
| 75 | S | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.2 | 170.8 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | H29 V30 A31 F32 N152 | H29-S75 PolarHBondContact CE1-OG 2.77Å; H29-S75 WeakPolarHBondContact NE2-CB 3.36Å; H29-S75 PolarHBondContact NE2-OG 3.01Å; V30-S75 PolarHBondContact O-N 3.44Å; A31-S75 CarbonylContact C-O 3.23Å; A31-S75 WeakPolarHBondContact CA-O 3.43Å; F32-S75 PolarHBondContact N-O 3.48Å; S75-N152 CarbonylContact C-O 3.55Å; S75-N152 WeakPolarHBondContact CA-O 3.34Å; S75-N152 WeakPolarHBondContact OG-CB 3.47Å; S75-N152 PolarHBondContact OG-ND2 3.17Å |
| 76 | I | 98.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.1 | -178.7 | 59.2 | 172.2 | 0 | 0 | 0 | 111.2 | F32 M34 L59 V74 T78 L151 N152 I153 C154 | F32-I76 HydrophobicContact CB-CG2 4.43Å; M34-I76 HydrophobicContact CE-CB 3.98Å; M34-I76 HydrophobicContact CE-CD1 4.32Å; M34-I76 HydrophobicContact SD-CB 4.33Å; M34-I76 HydrophobicContact SD-CG2 4.46Å; L59-I76 HydrophobicContact CD1-CD1 4.07Å; L59-I76 HydrophobicContact CD1-CG2 3.77Å; L59-I76 HydrophobicContact CD2-CD1 3.46Å; L59-I76 VanDerWaalsContact CD2-CD1 3.46Å; L59-I76 HydrophobicContact CG-CD1 4.4Å; V74-I76 HydrophobicContact CG1-CG2 3.96Å; I76-T78 PolarHBondContact O-N 2.84Å; I76-T78 VanDerWaalsContact O-N 3.11Å; I76-L151 HydrophobicContact CD1-CD1 4.09Å; I76-L151 HydrophobicContact CG1-CD1 4.03Å; I76-L151 HydrophobicContact CG2-CD1 4.19Å; I76-N152 WeakPolarHBondContact CG1-O 3.43Å; I76-N152 PolarHBondContact N-O 3.36Å; I76-I153 HydrophobicContact CD1-CG1 4.36Å; I76-I153 HydrophobicContact CD1-CG2 4.28Å; I76-I153 HydrophobicContact CG1-CG2 4.4Å; I76-C154 VanDerWaalsContact O-CB 3.27Å; I76-C154 WeakPolarHBondContact O-CB 3.22Å; I76-C154 PolarHBondContact O-N 2.99Å |
| 77 | F | 96.8 | Very high | 96.2 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 82.6 | 177.5 | -159.7 | -169.7 | 0 | 0 | 0 | 110.9 | F32 I33 S80 C154 Y157 F216 | F32-F77 PolarHBondContact O-N 3.38Å; I33-F77 HydrophobicContact CG1-CD1 4.35Å; I33-F77 HydrophobicContact CG2-CD1 4.33Å; F77-S80 VanDerWaalsContact CZ-CB 3.42Å; F77-C154 HydrophobicContact CD2-CB 4.35Å; F77-Y157 HydrophobicContact CE2-CD1 4.16Å; F77-Y157 WeakPolarHBondContact CE2-O 3.33Å; F77-F216 HydrophobicContact CB-CD1 4.05Å; F77-F216 HydrophobicContact CB-CD2 3.75Å; F77-F216 HydrophobicContact CB-CE1 3.85Å; F77-F216 HydrophobicContact CB-CE2 3.6Å; F77-F216 HydrophobicContact CB-CG 3.99Å; F77-F216 HydrophobicContact CB-CZ 3.65Å; F77-F216 HydrophobicContact CD1-CB 3.57Å; F77-F216 HydrophobicContact CD1-CD1 4.16Å; F77-F216 AromaticContact CD1-CD2 3.65Å; F77-F216 HydrophobicContact CD1-CD2 3.65Å; F77-F216 HydrophobicContact CD1-CE2 4.39Å; F77-F216 AromaticContact CD1-CG 3.53Å; F77-F216 HydrophobicContact CD1-CG 3.53Å; F77-F216 AromaticContact CD2-CD2 3.57Å; F77-F216 HydrophobicContact CD2-CD2 3.57Å; F77-F216 AromaticContact CD2-CE2 3.83Å; F77-F216 HydrophobicContact CD2-CE2 3.83Å; F77-F216 HydrophobicContact CD2-CG 4.31Å; F77-F216 HydrophobicContact CE1-CB 3.55Å; F77-F216 HydrophobicContact CE1-CD2 4.03Å; F77-F216 AromaticContact CE1-CG 3.96Å; F77-F216 HydrophobicContact CE1-CG 3.96Å; F77-F216 AromaticContact CE2-CD2 3.93Å; F77-F216 HydrophobicContact CE2-CD2 3.93Å; F77-F216 HydrophobicContact CG-CB 4.24Å; F77-F216 HydrophobicContact CG-CD1 4.27Å; F77-F216 AromaticContact CG-CD2 3.38Å; F77-F216 HydrophobicContact CG-CD2 3.38Å; F77-F216 HydrophobicContact CG-CE1 4.48Å; F77-F216 AromaticContact CG-CE2 3.71Å; F77-F216 HydrophobicContact CG-CE2 3.71Å; F77-F216 AromaticContact CG-CG 3.71Å; F77-F216 HydrophobicContact CG-CG 3.71Å; F77-F216 HydrophobicContact CG-CZ 4.24Å; F77-F216 HydrophobicContact CZ-CB 4.17Å; F77-F216 HydrophobicContact CZ-CD2 4.13Å; F77-F216 HydrophobicContact CZ-CG 4.47Å |
| 78 | T | 93.6 | Very high | 96.3 | Very high | 57 Ų | 57 | 42 Ų | 42 | 35% | 0.35 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -45.9 | -172.4 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | I76 I153 C154 M155 | I76-T78 PolarHBondContact O-N 2.84Å; I76-T78 VanDerWaalsContact O-N 3.11Å; T78-I153 HydrophobicContact CG2-CG2 4.36Å; T78-I153 WeakPolarHBondContact OG1-CG2 3.3Å; T78-C154 WeakPolarHBondContact CB-O 3.25Å; T78-C154 PolarHBondContact N-O 3Å; T78-M155 HydrophobicContact CG2-CG 4.27Å |
| 79 | F | 95.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 114.5 | -179.1 | -166.4 | -93.3 | 0 | 0 | 0 | 111.6 | N83 F84 V91 L94 M95 C154 M155 A156 Y157 | F79-N83 HydrophobicContact CD1-CB 4.39Å; F79-N83 HydrophobicContact CD2-CB 4.04Å; F79-N83 HydrophobicContact CE1-CB 4.03Å; F79-N83 HydrophobicContact CE2-CB 3.65Å; F79-N83 HydrophobicContact CG-CB 4.4Å; F79-N83 HydrophobicContact CZ-CB 3.64Å; F79-F84 HydrophobicContact CD1-CE2 4.34Å; F79-F84 HydrophobicContact CD1-CZ 4.44Å; F79-F84 HydrophobicContact CE1-CD1 4.03Å; F79-F84 AromaticContact CE1-CD2 3.86Å; F79-F84 HydrophobicContact CE1-CD2 3.86Å; F79-F84 AromaticContact CE1-CE1 3.92Å; F79-F84 HydrophobicContact CE1-CE1 3.92Å; F79-F84 AromaticContact CE1-CE2 3.73Å; F79-F84 HydrophobicContact CE1-CE2 3.73Å; F79-F84 HydrophobicContact CE1-CG 4Å; F79-F84 AromaticContact CE1-CZ 3.76Å; F79-F84 HydrophobicContact CE1-CZ 3.76Å; F79-F84 HydrophobicContact CZ-CD1 4.29Å; F79-F84 HydrophobicContact CZ-CE1 4.42Å; F79-F84 HydrophobicContact CZ-CG 4.43Å; F79-V91 HydrophobicContact CZ-CG1 4.27Å; F79-V91 HydrophobicContact CZ-CG2 4.39Å; F79-L94 HydrophobicContact CD2-CB 4.35Å; F79-L94 HydrophobicContact CD2-CD1 3.93Å; F79-L94 HydrophobicContact CE2-CB 4.2Å; F79-L94 HydrophobicContact CE2-CD1 3.64Å; F79-M95 HydrophobicContact CD1-CE 3.71Å; F79-M95 HydrophobicContact CD2-CE 4.04Å; F79-M95 HydrophobicContact CE1-CE 3.45Å; F79-M95 VanDerWaalsContact CE1-CE 3.45Å; F79-M95 HydrophobicContact CE2-CE 3.8Å; F79-M95 HydrophobicContact CG-CE 4Å; F79-M95 HydrophobicContact CZ-CE 3.5Å; F79-C154 PolarHBondContact N-O 2.9Å; F79-C154 VanDerWaalsContact N-O 3.13Å; F79-M155 CarbonylContact O-C 3.46Å; F79-M155 WeakPolarHBondContact O-CA 3.38Å; F79-A156 PolarHBondContact O-N 3.31Å; F79-Y157 PolarHBondContact O-N 3.09Å |
| 80 | S | 97 | Very high | 96.4 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 151.3 | 176 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | F77 D82 N83 Y157 | F77-S80 VanDerWaalsContact CZ-CB 3.42Å; S80-D82 PolarHBondContact O-N 3Å; S80-D82 PolarHBondContact OG-N 3.28Å; S80-N83 PolarHBondContact N-OD1 3.49Å; S80-N83 VanDerWaalsContact O-CB 3.25Å; S80-N83 WeakPolarHBondContact O-CB 3.44Å; S80-N83 PolarHBondContact O-N 3.17Å; S80-Y157 WeakPolarHBondContact CA-O 3.38Å |
| 81 | I | 97.1 | Very high | 96.5 | Very high | 34 Ų | 34 | 46 Ų | 46 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -54.8 | -37.6 | 168.2 | -61.9 | 178.7 | 0 | 0 | 0 | 110.8 | N83 F84 L127 A156 Y157 N161 | I81-N83 PolarHBondContact O-N 2.93Å; I81-N83 VanDerWaalsContact O-N 3.07Å; I81-F84 HydrophobicContact CG2-CD2 4.49Å; I81-F84 WeakPolarHBondContact O-CB 3.19Å; I81-F84 VanDerWaalsContact O-CD2 3.29Å; I81-F84 WeakPolarHBondContact O-CD2 3.42Å; I81-F84 PolarHBondContact O-N 2.88Å; I81-F84 VanDerWaalsContact O-N 3.1Å; I81-L127 HydrophobicContact CD1-CD1 4.24Å; I81-L127 HydrophobicContact CG1-CD1 4.26Å; I81-L127 HydrophobicContact CG2-CD1 4.44Å; I81-A156 VanDerWaalsContact CG1-O 3.28Å; I81-A156 WeakPolarHBondContact CG1-O 3.06Å; I81-Y157 PolarHBondContact N-O 3.4Å; I81-N161 HydrophobicContact CD1-CB 3.44Å; I81-N161 VanDerWaalsContact CD1-CB 3.44Å; I81-N161 VanDerWaalsContact CD1-CG 3.46Å |
| 82 | D | 95.7 | Very high | 96.5 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -65.5 | -16.7 | 178.8 | -63.2 | -27 | 0 | 0 | 0 | 112.3 | S80 F84 N85 R160 | S80-D82 PolarHBondContact O-N 3Å; S80-D82 PolarHBondContact OG-N 3.28Å; D82-F84 VanDerWaalsContact C-N 3.28Å; D82-F84 PolarHBondContact O-N 2.93Å; D82-N85 WeakPolarHBondContact O-CB 3.39Å; D82-N85 PolarHBondContact O-N 3.32Å; D82-N85 PolarHBondContact O-ND2 2.91Å; D82-R160 IonicContact OD2-NH2 3.53Å |
| 83 | N | 94.5 | Very high | 96.4 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -76.8 | -12.2 | 177.5 | -58.5 | 161.6 | 0 | 0 | 0 | 113.4 | F79 S80 I81 N85 R86 | F79-N83 HydrophobicContact CD1-CB 4.39Å; F79-N83 HydrophobicContact CD2-CB 4.04Å; F79-N83 HydrophobicContact CE1-CB 4.03Å; F79-N83 HydrophobicContact CE2-CB 3.65Å; F79-N83 HydrophobicContact CG-CB 4.4Å; F79-N83 HydrophobicContact CZ-CB 3.64Å; S80-N83 PolarHBondContact N-OD1 3.49Å; S80-N83 VanDerWaalsContact O-CB 3.25Å; S80-N83 WeakPolarHBondContact O-CB 3.44Å; S80-N83 PolarHBondContact O-N 3.17Å; I81-N83 PolarHBondContact O-N 2.93Å; I81-N83 VanDerWaalsContact O-N 3.07Å; N83-N85 PolarHBondContact O-N 3.33Å; N83-R86 PolarHBondContact ND2-NH2 3.32Å; N83-R86 VanDerWaalsContact O-CB 3.32Å; N83-R86 WeakPolarHBondContact O-CB 3.29Å; N83-R86 VanDerWaalsContact O-CG 3.28Å; N83-R86 WeakPolarHBondContact O-CG 3.31Å; N83-R86 PolarHBondContact O-N 3.4Å; N83-R86 VanDerWaalsContact O-N 3.09Å; N83-R86 PolarHBondContact OD1-NH2 2.9Å |
| 84 | F | 96.8 | Very high | 96.3 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 30% | 0.303 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -63.1 | -19 | 167.6 | -74.7 | -70.9 | 0 | 0 | 0 | 112.8 | F79 I81 D82 R86 V91 M95 L127 L128 A156 | F79-F84 HydrophobicContact CD1-CE2 4.34Å; F79-F84 HydrophobicContact CD1-CZ 4.44Å; F79-F84 HydrophobicContact CE1-CD1 4.03Å; F79-F84 AromaticContact CE1-CD2 3.86Å; F79-F84 HydrophobicContact CE1-CD2 3.86Å; F79-F84 AromaticContact CE1-CE1 3.92Å; F79-F84 HydrophobicContact CE1-CE1 3.92Å; F79-F84 AromaticContact CE1-CE2 3.73Å; F79-F84 HydrophobicContact CE1-CE2 3.73Å; F79-F84 HydrophobicContact CE1-CG 4Å; F79-F84 AromaticContact CE1-CZ 3.76Å; F79-F84 HydrophobicContact CE1-CZ 3.76Å; F79-F84 HydrophobicContact CZ-CD1 4.29Å; F79-F84 HydrophobicContact CZ-CE1 4.42Å; F79-F84 HydrophobicContact CZ-CG 4.43Å; I81-F84 HydrophobicContact CG2-CD2 4.49Å; I81-F84 WeakPolarHBondContact O-CB 3.19Å; I81-F84 VanDerWaalsContact O-CD2 3.29Å; I81-F84 WeakPolarHBondContact O-CD2 3.42Å; I81-F84 PolarHBondContact O-N 2.88Å; I81-F84 VanDerWaalsContact O-N 3.1Å; D82-F84 VanDerWaalsContact C-N 3.28Å; D82-F84 PolarHBondContact O-N 2.93Å; F84-R86 PolarHBondContact O-N 3.15Å; F84-V91 HydrophobicContact CD1-CG1 4.13Å; F84-V91 HydrophobicContact CE1-CG1 4.39Å; F84-M95 HydrophobicContact CE1-CE 4.14Å; F84-M95 HydrophobicContact CZ-CE 4.33Å; F84-L127 HydrophobicContact CE2-CB 4.02Å; F84-L127 HydrophobicContact CE2-CD1 4.32Å; F84-L127 HydrophobicContact CZ-CB 4.02Å; F84-L127 WeakPolarHBondContact CZ-O 3.37Å; F84-L128 HydrophobicContact CZ-CD2 4.46Å; F84-A156 HydrophobicContact CE2-CB 3.95Å; F84-A156 HydrophobicContact CZ-CB 4.33Å |
| 85 | N | 96.5 | Very high | 96.3 | Very high | 142 Ų | 142 | 49.3 Ų | 49.3 | 76% | 0.759 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -79.2 | 1.1 | 174 | -60.4 | -46.6 | 0 | 0 | 0 | 113.8 | D82 N83 | D82-N85 WeakPolarHBondContact O-CB 3.39Å; D82-N85 PolarHBondContact O-N 3.32Å; D82-N85 PolarHBondContact O-ND2 2.91Å; N83-N85 PolarHBondContact O-N 3.33Å |
| 86 | R | 95.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 53.9 Ų | 53.9 | 28% | 0.275 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -74.9 | 172.4 | 172.5 | -62.6 | -177.8 | -174.1 | 179.1 | 12.5 | 110.1 | N83 F84 E90 V91 | N83-R86 PolarHBondContact ND2-NH2 3.32Å; N83-R86 VanDerWaalsContact O-CB 3.32Å; N83-R86 WeakPolarHBondContact O-CB 3.29Å; N83-R86 VanDerWaalsContact O-CG 3.28Å; N83-R86 WeakPolarHBondContact O-CG 3.31Å; N83-R86 PolarHBondContact O-N 3.4Å; N83-R86 VanDerWaalsContact O-N 3.09Å; N83-R86 PolarHBondContact OD1-NH2 2.9Å; F84-R86 PolarHBondContact O-N 3.15Å; R86-E90 HydrophobicContact CB-CB 4.46Å; R86-E90 VanDerWaalsContact CD-OE1 3.32Å; R86-E90 WeakPolarHBondContact CD-OE1 3.27Å; R86-E90 IonicContact CZ-OE1 3.67Å; R86-E90 IonicContact NE-OE1 3.85Å; R86-E90 IonicContact NH1-OE1 3.23Å; R86-E90 PolarHBondContact NH1-OE1 3.49Å; R86-V91 HydrophobicContact CB-CG2 4.14Å |
| 87 | S | 95.4 | Very high | 96.1 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | trans | -60.2 | 146.6 | 179.2 | 89.4 | 0 | 0 | 0 | 0 | 110.4 | E89 E90 V91 | S87-E89 WeakPolarHBondContact CB-OE2 3.39Å; S87-E89 PolarHBondContact O-N 2.91Å; S87-E89 PolarHBondContact OG-OE2 3.21Å; S87-E90 PolarHBondContact O-N 2.98Å; S87-E90 PolarHBondContact OG-N 3.41Å; S87-V91 PolarHBondContact O-N 3.33Å | ||
| 88 | H | 96.4 | Very high | 96.1 | Very high | 142 Ų | 142 | 54.1 Ų | 54.1 | 66% | 0.657 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -55.8 | -38.9 | -179 | -176.4 | -72.9 | 0 | 0 | 0 | 110.9 | E90 V91 S92 | H88-E90 PolarHBondContact O-N 3.24Å; H88-V91 PolarHBondContact O-N 3.41Å; H88-S92 PolarHBondContact CE1-OG 3.36Å; H88-S92 PolarHBondContact ND1-OG 3.45Å; H88-S92 WeakPolarHBondContact O-CB 3.35Å; H88-S92 PolarHBondContact O-N 2.89Å; H88-S92 PolarHBondContact O-OG 3.2Å |
| 89 | E | 95.8 | Very high | 96.3 | Very high | 136 Ų | 136 | 53.6 Ų | 53.6 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 177.2 | -51.8 | 75.8 | -163.6 | 0 | 0 | 111.8 | S87 F93 | S87-E89 WeakPolarHBondContact CB-OE2 3.39Å; S87-E89 PolarHBondContact O-N 2.91Å; S87-E89 PolarHBondContact OG-OE2 3.21Å; E89-F93 WeakPolarHBondContact O-CB 3.31Å; E89-F93 PolarHBondContact O-N 3.47Å |
| 90 | E | 94.5 | Very high | 96.3 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 8% | 0.075 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 177.1 | -168 | -175.9 | 160.2 | 0 | 0 | 111 | R38 H52 R86 S87 H88 F93 L94 | R38-E90 WeakPolarHBondContact CD-OE1 3.34Å; R38-E90 IonicContact CZ-OE2 3.79Å; R38-E90 IonicContact NE-OE2 2.96Å; R38-E90 IonicContact NH1-OE1 2.72Å; R38-E90 IonicContact NH1-OE2 3.27Å; R38-E90 PolarHBondContact NH1-OE2 2.84Å; H52-E90 IonicContact CE1-OE1 2.75Å; H52-E90 IonicContact NE2-OE1 3.83Å; H52-E90 PolarHBondContact NE2-OE1 2.89Å; R86-E90 HydrophobicContact CB-CB 4.46Å; R86-E90 VanDerWaalsContact CD-OE1 3.32Å; R86-E90 WeakPolarHBondContact CD-OE1 3.27Å; R86-E90 IonicContact CZ-OE1 3.67Å; R86-E90 IonicContact NE-OE1 3.85Å; R86-E90 IonicContact NH1-OE1 3.23Å; R86-E90 PolarHBondContact NH1-OE1 3.49Å; S87-E90 PolarHBondContact O-N 2.98Å; S87-E90 PolarHBondContact OG-N 3.41Å; H88-E90 PolarHBondContact O-N 3.24Å; E90-F93 PolarHBondContact O-N 3.05Å; E90-L94 HydrophobicContact CG-CD1 4.15Å; E90-L94 WeakPolarHBondContact O-CB 3.23Å; E90-L94 VanDerWaalsContact O-CG 3.28Å; E90-L94 WeakPolarHBondContact O-CG 3.46Å; E90-L94 PolarHBondContact O-N 2.92Å |
| 91 | V | 96.6 | Very high | 96.2 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 177.8 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | F79 F84 R86 S87 H88 F93 L94 M95 | F79-V91 HydrophobicContact CZ-CG1 4.27Å; F79-V91 HydrophobicContact CZ-CG2 4.39Å; F84-V91 HydrophobicContact CD1-CG1 4.13Å; F84-V91 HydrophobicContact CE1-CG1 4.39Å; R86-V91 HydrophobicContact CB-CG2 4.14Å; S87-V91 PolarHBondContact O-N 3.33Å; H88-V91 PolarHBondContact O-N 3.41Å; V91-F93 VanDerWaalsContact C-N 3.34Å; V91-F93 PolarHBondContact O-N 3.02Å; V91-L94 PolarHBondContact O-N 3.26Å; V91-M95 HydrophobicContact CG1-CE 4.32Å; V91-M95 HydrophobicContact CG1-CG 4.38Å; V91-M95 WeakPolarHBondContact O-CG 3.48Å; V91-M95 PolarHBondContact O-N 3.5Å |
| 92 | S | 97.1 | Very high | 96.2 | Very high | 42 Ų | 42 | 58 Ų | 58 | 29% | 0.294 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 176.6 | -62.2 | 0 | 0 | 0 | 0 | 112 | H88 L94 M95 N96 | H88-S92 PolarHBondContact CE1-OG 3.36Å; H88-S92 PolarHBondContact ND1-OG 3.45Å; H88-S92 WeakPolarHBondContact O-CB 3.35Å; H88-S92 PolarHBondContact O-N 2.89Å; H88-S92 PolarHBondContact O-OG 3.2Å; S92-L94 PolarHBondContact O-N 3.13Å; S92-M95 PolarHBondContact O-N 3.01Å; S92-N96 WeakPolarHBondContact O-CB 3.4Å; S92-N96 VanDerWaalsContact O-CG 3.23Å; S92-N96 PolarHBondContact O-N 3.11Å; S92-N96 PolarHBondContact O-ND2 2.87Å |
| 93 | F | 96.1 | Very high | 96.3 | Very high | 64 Ų | 64 | 57.5 Ų | 57.5 | 28% | 0.281 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.1 | 173.7 | -92.7 | 0 | 0 | 0 | 111.8 | S49 H52 L53 E89 E90 V91 M95 N96 L97 | S49-F93 VanDerWaalsContact CB-CE2 3.43Å; H52-F93 HydrophobicContact CB-CE1 4.07Å; L53-F93 HydrophobicContact CG-CZ 4.4Å; E89-F93 WeakPolarHBondContact O-CB 3.31Å; E89-F93 PolarHBondContact O-N 3.47Å; E90-F93 PolarHBondContact O-N 3.05Å; V91-F93 VanDerWaalsContact C-N 3.34Å; V91-F93 PolarHBondContact O-N 3.02Å; F93-M95 PolarHBondContact O-N 3.43Å; F93-N96 PolarHBondContact O-N 2.99Å; F93-L97 HydrophobicContact CE1-CD2 4.09Å; F93-L97 HydrophobicContact CZ-CD2 4.41Å; F93-L97 WeakPolarHBondContact O-CB 3.46Å; F93-L97 PolarHBondContact O-N 3.49Å |
| 94 | L | 96.2 | Very high | 96.4 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 179.9 | -74 | 172.6 | 0 | 0 | 0 | 112.6 | H52 F79 E90 V91 S92 A98 | H52-L94 HydrophobicContact CB-CD2 4.31Å; F79-L94 HydrophobicContact CD2-CB 4.35Å; F79-L94 HydrophobicContact CD2-CD1 3.93Å; F79-L94 HydrophobicContact CE2-CB 4.2Å; F79-L94 HydrophobicContact CE2-CD1 3.64Å; E90-L94 HydrophobicContact CG-CD1 4.15Å; E90-L94 WeakPolarHBondContact O-CB 3.23Å; E90-L94 VanDerWaalsContact O-CG 3.28Å; E90-L94 WeakPolarHBondContact O-CG 3.46Å; E90-L94 PolarHBondContact O-N 2.92Å; V91-L94 PolarHBondContact O-N 3.26Å; S92-L94 PolarHBondContact O-N 3.13Å; L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 3.48Å |
| 95 | M | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.9 | -45 | 175.1 | -65.1 | -56.7 | 143.4 | 0 | 0 | 111.5 | F79 F84 V91 S92 F93 L97 A98 E99 L128 P129 | F79-M95 HydrophobicContact CD1-CE 3.71Å; F79-M95 HydrophobicContact CD2-CE 4.04Å; F79-M95 HydrophobicContact CE1-CE 3.45Å; F79-M95 VanDerWaalsContact CE1-CE 3.45Å; F79-M95 HydrophobicContact CE2-CE 3.8Å; F79-M95 HydrophobicContact CG-CE 4Å; F79-M95 HydrophobicContact CZ-CE 3.5Å; F84-M95 HydrophobicContact CE1-CE 4.14Å; F84-M95 HydrophobicContact CZ-CE 4.33Å; V91-M95 HydrophobicContact CG1-CE 4.32Å; V91-M95 HydrophobicContact CG1-CG 4.38Å; V91-M95 WeakPolarHBondContact O-CG 3.48Å; V91-M95 PolarHBondContact O-N 3.5Å; S92-M95 PolarHBondContact O-N 3.01Å; F93-M95 PolarHBondContact O-N 3.43Å; M95-L97 VanDerWaalsContact C-N 3.3Å; M95-L97 PolarHBondContact O-N 3.05Å; M95-A98 WeakPolarHBondContact O-CB 3.47Å; M95-A98 PolarHBondContact O-N 2.84Å; M95-A98 VanDerWaalsContact O-N 3.09Å; M95-E99 WeakPolarHBondContact O-CG 3.08Å; M95-E99 PolarHBondContact O-N 3.3Å; M95-L128 HydrophobicContact CE-CD2 4.2Å; M95-L128 HydrophobicContact SD-CD2 4Å; M95-P129 HydrophobicContact CB-CG 3.97Å; M95-P129 HydrophobicContact CG-CG 3.85Å; M95-P129 HydrophobicContact SD-CG 4.2Å |
| 96 | N | 97.6 | Very high | 96.3 | Very high | 97 Ų | 97 | 49.9 Ų | 49.9 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 175.2 | -69.1 | -11.3 | 0 | 0 | 0 | 111.7 | S92 F93 A98 E99 E100 | S92-N96 WeakPolarHBondContact O-CB 3.4Å; S92-N96 VanDerWaalsContact O-CG 3.23Å; S92-N96 PolarHBondContact O-N 3.11Å; S92-N96 PolarHBondContact O-ND2 2.87Å; F93-N96 PolarHBondContact O-N 2.99Å; N96-A98 VanDerWaalsContact C-N 3.35Å; N96-E99 PolarHBondContact O-N 2.88Å; N96-E100 PolarHBondContact O-N 2.81Å |
| 97 | L | 95.4 | Very high | 96.4 | Very high | 18 Ų | 18 | 51.5 Ų | 51.5 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 174.4 | -179 | 61.1 | 0 | 0 | 0 | 111.1 | H52 L53 F93 M95 E100 K101 | H52-L97 HydrophobicContact CB-CD2 4.21Å; L53-L97 HydrophobicContact CD2-CD1 3.69Å; L53-L97 HydrophobicContact CD2-CD2 4.48Å; F93-L97 HydrophobicContact CE1-CD2 4.09Å; F93-L97 HydrophobicContact CZ-CD2 4.41Å; F93-L97 WeakPolarHBondContact O-CB 3.46Å; F93-L97 PolarHBondContact O-N 3.49Å; M95-L97 VanDerWaalsContact C-N 3.3Å; M95-L97 PolarHBondContact O-N 3.05Å; L97-E100 PolarHBondContact O-N 3.29Å; L97-K101 HydrophobicContact CD1-CG 3.99Å; L97-K101 HydrophobicContact CG-CG 4.45Å; L97-K101 WeakPolarHBondContact O-CB 3.43Å; L97-K101 VanDerWaalsContact O-CG 3.25Å; L97-K101 WeakPolarHBondContact O-CG 3.5Å; L97-K101 PolarHBondContact O-N 3.17Å |
| 98 | A | 96.7 | Very high | 96.3 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L94 M95 N96 K101 L102 M155 | L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 3.48Å; M95-A98 WeakPolarHBondContact O-CB 3.47Å; M95-A98 PolarHBondContact O-N 2.84Å; M95-A98 VanDerWaalsContact O-N 3.09Å; N96-A98 VanDerWaalsContact C-N 3.35Å; A98-K101 PolarHBondContact O-N 2.81Å; A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 VanDerWaalsContact O-CG 3.24Å; A98-L102 WeakPolarHBondContact O-CG 3.34Å; A98-L102 PolarHBondContact O-N 3.26Å; A98-M155 HydrophobicContact CB-CE 3.54Å |
| 99 | E | 97.6 | Very high | 96.3 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -50.9 | 174.2 | -68.3 | -177.3 | -168.6 | 0 | 0 | 111.5 | M95 N96 K101 L102 Q103 K131 V132 L135 | M95-E99 WeakPolarHBondContact O-CG 3.08Å; M95-E99 PolarHBondContact O-N 3.3Å; N96-E99 PolarHBondContact O-N 2.88Å; E99-K101 VanDerWaalsContact C-N 3.29Å; E99-K101 PolarHBondContact O-N 2.64Å; E99-L102 PolarHBondContact O-N 3.38Å; E99-Q103 WeakPolarHBondContact O-CB 3.47Å; E99-Q103 PolarHBondContact O-N 2.86Å; E99-K131 HydrophobicContact CG-CB 4.45Å; E99-K131 HydrophobicContact CG-CG 4.22Å; E99-K131 WeakPolarHBondContact OE2-CG 3.46Å; E99-V132 HydrophobicContact CG-CB 4.4Å; E99-V132 HydrophobicContact CG-CG2 3.32Å; E99-L135 HydrophobicContact CB-CD1 4.17Å; E99-L135 WeakPolarHBondContact O-CD1 3.37Å |
| 100 | E | 96.6 | Very high | 96.2 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.1 | -46.3 | 178.2 | -172.6 | -164.9 | 132 | 0 | 0 | 111.2 | N96 L97 Q103 E104 | N96-E100 PolarHBondContact O-N 2.81Å; L97-E100 PolarHBondContact O-N 3.29Å; E100-Q103 PolarHBondContact O-N 2.99Å; E100-E104 VanDerWaalsContact O-CB 3.28Å; E100-E104 WeakPolarHBondContact O-CB 3.49Å; E100-E104 PolarHBondContact O-N 3.34Å |
| 101 | K | 94.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -78.5 | -31.5 | -174 | -61.3 | -46 | -173.4 | -164.7 | 0 | 113.9 | F56 L97 A98 E99 E104 L105 | F56-K101 HydrophobicContact CD1-CD 4.19Å; F56-K101 HydrophobicContact CD1-CG 4.42Å; F56-K101 HydrophobicContact CD2-CG 3.96Å; F56-K101 HydrophobicContact CE1-CD 3.49Å; F56-K101 VanDerWaalsContact CE1-CD 3.49Å; F56-K101 HydrophobicContact CE1-CG 3.92Å; F56-K101 HydrophobicContact CE2-CB 3.62Å; F56-K101 HydrophobicContact CE2-CD 3.93Å; F56-K101 HydrophobicContact CE2-CG 3.38Å; F56-K101 HydrophobicContact CG-CG 4.42Å; F56-K101 HydrophobicContact CZ-CB 3.67Å; F56-K101 HydrophobicContact CZ-CD 3.32Å; F56-K101 HydrophobicContact CZ-CG 3.34Å; L97-K101 HydrophobicContact CD1-CG 3.99Å; L97-K101 HydrophobicContact CG-CG 4.45Å; L97-K101 WeakPolarHBondContact O-CB 3.43Å; L97-K101 VanDerWaalsContact O-CG 3.25Å; L97-K101 WeakPolarHBondContact O-CG 3.5Å; L97-K101 PolarHBondContact O-N 3.17Å; A98-K101 PolarHBondContact O-N 2.81Å; E99-K101 VanDerWaalsContact C-N 3.29Å; E99-K101 PolarHBondContact O-N 2.64Å; K101-E104 VanDerWaalsContact CD-OE2 3.23Å; K101-E104 WeakPolarHBondContact CD-OE2 3.2Å; K101-E104 IonicContact NZ-OE2 3.14Å; K101-E104 PolarHBondContact NZ-OE2 3.28Å; K101-L105 WeakPolarHBondContact O-CG 3.09Å; K101-L105 PolarHBondContact O-N 3.24Å |
| 102 | L | 97.2 | Very high | 96 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.8 | -41.1 | 170.5 | -70.5 | 171 | 0 | 0 | 0 | 111.2 | A98 E99 L105 L106 V121 V132 L135 A136 L139 I153 | A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 VanDerWaalsContact O-CG 3.24Å; A98-L102 WeakPolarHBondContact O-CG 3.34Å; A98-L102 PolarHBondContact O-N 3.26Å; E99-L102 PolarHBondContact O-N 3.38Å; L102-L105 PolarHBondContact O-N 3.41Å; L102-L106 PolarHBondContact O-N 2.67Å; L102-V121 HydrophobicContact CD2-CG2 4.28Å; L102-V132 HydrophobicContact CD1-CG1 3.95Å; L102-L135 HydrophobicContact CB-CB 3.83Å; L102-L135 HydrophobicContact CB-CD1 4.31Å; L102-L135 HydrophobicContact CD1-CB 4.25Å; L102-A136 HydrophobicContact CD1-CB 4.35Å; L102-L139 HydrophobicContact CD2-CD2 3.82Å; L102-I153 HydrophobicContact CD2-CD1 4.19Å |
| 103 | Q | 97.7 | Very high | 95.9 | Very high | 62 Ų | 62 | 53.4 Ų | 53.4 | 29% | 0.29 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 174 | -176.3 | 64.8 | 66.5 | 0 | 0 | 110.8 | E99 E100 L105 L106 D107 L135 | E99-Q103 WeakPolarHBondContact O-CB 3.47Å; E99-Q103 PolarHBondContact O-N 2.86Å; E100-Q103 PolarHBondContact O-N 2.99Å; Q103-L105 VanDerWaalsContact C-N 3.29Å; Q103-L105 PolarHBondContact O-N 2.96Å; Q103-L106 WeakPolarHBondContact O-CA 3.26Å; Q103-L106 WeakPolarHBondContact O-CB 3.34Å; Q103-L106 PolarHBondContact O-N 3.43Å; Q103-D107 PolarHBondContact NE2-OD1 3.38Å; Q103-D107 PolarHBondContact O-N 3.02Å; Q103-L135 HydrophobicContact CB-CD1 4.24Å; Q103-L135 HydrophobicContact CB-CD2 4.34Å |
| 104 | E | 95.6 | Very high | 95.8 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 29% | 0.285 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 178.3 | -167.8 | 177.2 | -177.6 | 0 | 0 | 112.2 | M1 E100 K101 N108 | M1-E104 VanDerWaalsContact N-CG 3.28Å; M1-E104 PolarHBondContact N-OE1 2.84Å; M1-E104 PolarHBondContact N-OE2 3.48Å; E100-E104 VanDerWaalsContact O-CB 3.28Å; E100-E104 WeakPolarHBondContact O-CB 3.49Å; E100-E104 PolarHBondContact O-N 3.34Å; K101-E104 VanDerWaalsContact CD-OE2 3.23Å; K101-E104 WeakPolarHBondContact CD-OE2 3.2Å; K101-E104 IonicContact NZ-OE2 3.14Å; K101-E104 PolarHBondContact NZ-OE2 3.28Å; E104-N108 PolarHBondContact O-N 2.96Å; E104-N108 PolarHBondContact O-ND2 3.13Å |
| 105 | L | 95.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 172 | -81.8 | 169.1 | 0 | 0 | 0 | 112.6 | M1 W3 K101 L102 Q103 N108 K109 L112 L139 | M1-L105 HydrophobicContact CB-CD2 4.28Å; M1-L105 HydrophobicContact CB-CG 4.43Å; M1-L105 HydrophobicContact CG-CD2 4.35Å; M1-L105 HydrophobicContact SD-CD1 4.09Å; M1-L105 HydrophobicContact SD-CD2 3.61Å; M1-L105 HydrophobicContact SD-CG 4.02Å; W3-L105 HydrophobicContact CE3-CD2 4.32Å; K101-L105 WeakPolarHBondContact O-CG 3.09Å; K101-L105 PolarHBondContact O-N 3.24Å; L102-L105 PolarHBondContact O-N 3.41Å; Q103-L105 VanDerWaalsContact C-N 3.29Å; Q103-L105 PolarHBondContact O-N 2.96Å; L105-N108 CarbonylContact O-C 3.41Å; L105-N108 PolarHBondContact O-N 2.62Å; L105-K109 PolarHBondContact O-N 3.32Å; L105-L112 HydrophobicContact CD2-CD1 4.32Å; L105-L112 HydrophobicContact CD2-CD2 4.08Å; L105-L112 WeakPolarHBondContact O-CD1 3.37Å; L105-L139 HydrophobicContact CB-CD1 4.08Å; L105-L139 HydrophobicContact CB-CD2 3.82Å; L105-L139 HydrophobicContact CD1-CD2 3.9Å; L105-L139 HydrophobicContact CG-CD2 4.5Å |
| 106 | L | 96.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 178.6 | -173 | 64.9 | 0 | 0 | 0 | 111.9 | L102 Q103 N108 K109 L135 Q138 V142 | L102-L106 PolarHBondContact O-N 2.67Å; Q103-L106 WeakPolarHBondContact O-CA 3.26Å; Q103-L106 WeakPolarHBondContact O-CB 3.34Å; Q103-L106 PolarHBondContact O-N 3.43Å; L106-N108 PolarHBondContact O-N 2.95Å; L106-K109 VanDerWaalsContact O-CB 3.31Å; L106-K109 WeakPolarHBondContact O-CB 3.15Å; L106-K109 WeakPolarHBondContact O-CG 3.21Å; L106-K109 PolarHBondContact O-N 3.09Å; L106-L135 HydrophobicContact CD2-CD2 4.36Å; L106-Q138 HydrophobicContact CD1-CB 4.34Å; L106-Q138 HydrophobicContact CD2-CB 4.06Å; L106-V142 HydrophobicContact CD1-CG2 4.23Å |
| 107 | D | 97 | Very high | 95.4 | Very high | 107 Ų | 107 | 52.1 Ų | 52.1 | 57% | 0.572 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.7 | -33.2 | 175.3 | -64.2 | -17.9 | 0 | 0 | 0 | 111.1 | Q103 | Q103-D107 PolarHBondContact NE2-OD1 3.38Å; Q103-D107 PolarHBondContact O-N 3.02Å |
| 108 | N | 94.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 24% | 0.235 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 26.3 | 177 | -63.5 | -58.9 | 0 | 0 | 0 | 113.4 | E104 L105 L106 D110 E111 L112 | E104-N108 PolarHBondContact O-N 2.96Å; E104-N108 PolarHBondContact O-ND2 3.13Å; L105-N108 CarbonylContact O-C 3.41Å; L105-N108 PolarHBondContact O-N 2.62Å; L106-N108 PolarHBondContact O-N 2.95Å; N108-D110 PolarHBondContact O-N 2.82Å; N108-D110 VanDerWaalsContact O-N 3.11Å; N108-E111 HydrophobicContact CB-CG 4.46Å; N108-E111 WeakPolarHBondContact O-CB 3.5Å; N108-E111 PolarHBondContact O-N 3.22Å; N108-L112 PolarHBondContact O-N 2.71Å |
| 109 | K | 94.8 | Very high | 95.5 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.1 | -28.5 | -179.2 | 65.4 | -174.5 | -179.5 | -173.3 | 0 | 114.7 | L105 L106 L112 K113 V142 | L105-K109 PolarHBondContact O-N 3.32Å; L106-K109 VanDerWaalsContact O-CB 3.31Å; L106-K109 WeakPolarHBondContact O-CB 3.15Å; L106-K109 WeakPolarHBondContact O-CG 3.21Å; L106-K109 PolarHBondContact O-N 3.09Å; K109-L112 PolarHBondContact O-N 3.36Å; K109-K113 WeakPolarHBondContact O-CB 3.19Å; K109-K113 PolarHBondContact O-N 2.77Å; K109-V142 HydrophobicContact CB-CG1 4.02Å; K109-V142 HydrophobicContact CD-CG1 4.38Å |
| 110 | D | 94.8 | Very high | 95.5 | Very high | 114 Ų | 114 | 50.4 Ų | 50.4 | 61% | 0.61 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -71.8 | -34.4 | 179 | -68.9 | -35.9 | 0 | 0 | 0 | 111.5 | N108 K113 A114 | N108-D110 PolarHBondContact O-N 2.82Å; N108-D110 VanDerWaalsContact O-N 3.11Å; D110-K113 PolarHBondContact O-N 2.7Å; D110-A114 WeakPolarHBondContact O-CB 3.36Å; D110-A114 PolarHBondContact O-N 3.17Å |
| 111 | E | 92.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.6 | -46.6 | 169.4 | -60.3 | -178.3 | 175.6 | 0 | 0 | 110.1 | T2 N108 K113 A114 D115 | T2-E111 WeakPolarHBondContact CA-OE2 3.42Å; T2-E111 WeakPolarHBondContact CB-OE2 3.36Å; T2-E111 WeakPolarHBondContact CG2-OE1 3.41Å; T2-E111 VanDerWaalsContact CG2-OE2 3.22Å; T2-E111 WeakPolarHBondContact CG2-OE2 3.45Å; N108-E111 HydrophobicContact CB-CG 4.46Å; N108-E111 WeakPolarHBondContact O-CB 3.5Å; N108-E111 PolarHBondContact O-N 3.22Å; E111-K113 PolarHBondContact O-N 3.23Å; E111-A114 PolarHBondContact O-N 3.17Å; E111-A114 VanDerWaalsContact O-N 3.13Å; E111-D115 WeakPolarHBondContact O-CB 3.38Å; E111-D115 PolarHBondContact O-N 2.67Å |
| 112 | L | 94.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.5 | -36.7 | 176.4 | -61.9 | 179.9 | 0 | 0 | 0 | 112.1 | W3 L105 N108 K109 D116 I117 I119 L139 T143 | W3-L112 HydrophobicContact CB-CD2 4.01Å; L105-L112 HydrophobicContact CD2-CD1 4.32Å; L105-L112 HydrophobicContact CD2-CD2 4.08Å; L105-L112 WeakPolarHBondContact O-CD1 3.37Å; N108-L112 PolarHBondContact O-N 2.71Å; K109-L112 PolarHBondContact O-N 3.36Å; L112-D116 PolarHBondContact O-N 3.27Å; L112-D116 VanDerWaalsContact O-N 3.1Å; L112-I117 HydrophobicContact CB-CB 4.49Å; L112-I117 HydrophobicContact CD2-CB 4.17Å; L112-I117 HydrophobicContact CD2-CD1 3.92Å; L112-I117 HydrophobicContact CD2-CG2 4.19Å; L112-I117 PolarHBondContact O-N 2.99Å; L112-I119 HydrophobicContact CD1-CG1 4.32Å; L112-L139 HydrophobicContact CD1-CD1 3.81Å; L112-T143 HydrophobicContact CB-CG2 4.47Å; L112-T143 HydrophobicContact CD1-CG2 4.05Å |
| 113 | K | 95.5 | Very high | 95.7 | Very high | 138 Ų | 138 | 44.6 Ų | 44.6 | 60% | 0.6 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72.5 | -45.6 | 175.2 | -179.5 | 179.4 | 178.1 | -175 | 0 | 112.6 | K109 D110 E111 D115 D116 | K109-K113 WeakPolarHBondContact O-CB 3.19Å; K109-K113 PolarHBondContact O-N 2.77Å; D110-K113 PolarHBondContact O-N 2.7Å; E111-K113 PolarHBondContact O-N 3.23Å; K113-D115 PolarHBondContact O-N 3.29Å; K113-D116 PolarHBondContact O-N 3.44Å; K113-D116 VanDerWaalsContact O-N 3.09Å |
| 114 | A | 93.7 | Very high | 95.7 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 70% | 0.702 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -57.2 | -34.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D110 E111 | D110-A114 WeakPolarHBondContact O-CB 3.36Å; D110-A114 PolarHBondContact O-N 3.17Å; E111-A114 PolarHBondContact O-N 3.17Å; E111-A114 VanDerWaalsContact O-N 3.13Å |
| 115 | D | 91.4 | Very high | 95.8 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 20% | 0.198 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1.8 | -179.4 | -78.3 | -72 | 0 | 0 | 0 | 115.1 | T4 R67 E111 K113 I117 | T4-D115 HydrophobicContact CG2-CB 3.97Å; T4-D115 WeakPolarHBondContact CG2-OD1 3.25Å; T4-D115 WeakPolarHBondContact CG2-OD2 3.16Å; T4-D115 PolarHBondContact OG1-OD2 2.82Å; R67-D115 IonicContact CZ-OD1 2.91Å; R67-D115 IonicContact NH1-OD1 3.59Å; R67-D115 PolarHBondContact NH1-OD1 3.45Å; R67-D115 VanDerWaalsContact NH2-CG 3.35Å; R67-D115 PolarHBondContact NH2-O 2.78Å; R67-D115 IonicContact NH2-OD1 2.69Å; R67-D115 PolarHBondContact NH2-OD1 3.13Å; E111-D115 WeakPolarHBondContact O-CB 3.38Å; E111-D115 PolarHBondContact O-N 2.67Å; K113-D115 PolarHBondContact O-N 3.29Å; D115-I117 HydrophobicContact CB-CD1 3.47Å; D115-I117 VanDerWaalsContact CB-CD1 3.47Å; D115-I117 HydrophobicContact CB-CG1 3.9Å |
| 116 | D | 94.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 55.5 | -178.1 | -170 | 42.3 | 0 | 0 | 0 | 113.3 | L112 K113 H146 S147 K148 S149 | L112-D116 PolarHBondContact O-N 3.27Å; L112-D116 VanDerWaalsContact O-N 3.1Å; K113-D116 PolarHBondContact O-N 3.44Å; K113-D116 VanDerWaalsContact O-N 3.09Å; D116-H146 WeakPolarHBondContact OD1-CA 3.36Å; D116-H146 WeakPolarHBondContact OD1-CB 3.44Å; D116-H146 IonicContact OD1-CD2 3.49Å; D116-H146 IonicContact OD1-CG 3.33Å; D116-S147 PolarHBondContact OD1-N 2.94Å; D116-S147 PolarHBondContact OD2-N 2.73Å; D116-K148 HydrophobicContact CB-CB 3.77Å; D116-K148 HydrophobicContact CB-CD 4.32Å; D116-K148 PolarHBondContact O-N 3.14Å; D116-K148 WeakPolarHBondContact OD2-CB 3.06Å; D116-K148 PolarHBondContact OD2-N 3.28Å; D116-S149 PolarHBondContact O-N 2.82Å; D116-S149 VanDerWaalsContact O-N 3.11Å |
| 117 | I | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 119.2 | -176.3 | -61.5 | 155.7 | 0 | 0 | 0 | 111.4 | W3 L112 D115 I119 T143 H146 S149 | W3-I117 HydrophobicContact CB-CD1 3.86Å; W3-I117 HydrophobicContact CD2-CD1 4.27Å; W3-I117 HydrophobicContact CG-CD1 3.48Å; W3-I117 VanDerWaalsContact CG-CD1 3.48Å; L112-I117 HydrophobicContact CB-CB 4.49Å; L112-I117 HydrophobicContact CD2-CB 4.17Å; L112-I117 HydrophobicContact CD2-CD1 3.92Å; L112-I117 HydrophobicContact CD2-CG2 4.19Å; L112-I117 PolarHBondContact O-N 2.99Å; D115-I117 HydrophobicContact CB-CD1 3.47Å; D115-I117 VanDerWaalsContact CB-CD1 3.47Å; D115-I117 HydrophobicContact CB-CG1 3.9Å; I117-I119 HydrophobicContact CG2-CD1 3.53Å; I117-I119 HydrophobicContact CG2-CG1 4.26Å; I117-T143 WeakPolarHBondContact O-CB 3.44Å; I117-H146 VanDerWaalsContact C-CB 3.44Å; I117-H146 PolarHBondContact O-ND1 3.29Å; I117-S149 CarbonylContact C-O 3.51Å; I117-S149 VanDerWaalsContact CA-O 3.27Å; I117-S149 WeakPolarHBondContact CA-O 3.47Å |
| 118 | C | 97.6 | Very high | 96 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.3 | 169.7 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | H146 S149 I150 L151 | C118-H146 HydrophobicContact CB-CB 4.11Å; C118-H146 WeakPolarHBondContact CB-O 3.34Å; C118-S149 PolarHBondContact N-O 2.96Å; C118-I150 HydrophobicContact CB-CG1 4.06Å; C118-I150 CarbonylContact O-C 3.56Å; C118-I150 WeakPolarHBondContact O-CA 3.25Å; C118-L151 PolarHBondContact O-N 2.81Å |
| 119 | I | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.3 | 174.1 | -51.2 | -64.4 | 0 | 0 | 0 | 109.2 | W3 L112 I117 L139 T143 L151 I153 | W3-I119 HydrophobicContact CE3-CD1 4.49Å; W3-I119 HydrophobicContact CZ3-CD1 4.36Å; L112-I119 HydrophobicContact CD1-CG1 4.32Å; I117-I119 HydrophobicContact CG2-CD1 3.53Å; I117-I119 HydrophobicContact CG2-CG1 4.26Å; I119-L139 HydrophobicContact CB-CD2 4.11Å; I119-L139 HydrophobicContact CB-CG 3.99Å; I119-L139 HydrophobicContact CG1-CD1 4.41Å; I119-L139 HydrophobicContact CG1-CD2 4.27Å; I119-L139 HydrophobicContact CG1-CG 4.23Å; I119-L139 HydrophobicContact CG2-CD2 3.66Å; I119-L139 HydrophobicContact CG2-CG 4.05Å; I119-T143 HydrophobicContact CG1-CG2 4.3Å; I119-T143 PolarHBondContact N-OG1 2.79Å; I119-T143 PolarHBondContact O-OG1 2.64Å; I119-L151 HydrophobicContact CD1-CB 3.79Å; I119-L151 HydrophobicContact CD1-CD2 3.8Å; I119-L151 HydrophobicContact CD1-CG 4.43Å; I119-L151 HydrophobicContact CG2-CD2 4.43Å; I119-I153 HydrophobicContact CG2-CD1 3.91Å; I119-I153 HydrophobicContact CG2-CG1 4.29Å |
| 120 | R | 98 | Very high | 96.3 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.5 | 174.9 | -49.5 | -176.4 | -157 | 152 | -6.2 | 108.8 | E73 I122 M140 L151 N152 I153 L197 S198 | E73-R120 IonicContact OE1-NH1 3.76Å; E73-R120 PolarHBondContact OE1-NH1 3.38Å; E73-R120 VanDerWaalsContact OE1-NH1 3.14Å; R120-I122 HydrophobicContact CB-CG1 4.32Å; R120-M140 HydrophobicContact CB-CE 4.45Å; R120-L151 PolarHBondContact N-O 3.07Å; R120-N152 WeakPolarHBondContact CD-OD1 3.4Å; R120-N152 CarbonylContact O-C 3.58Å; R120-N152 WeakPolarHBondContact O-CA 3.49Å; R120-I153 PolarHBondContact O-N 2.72Å; R120-L197 PolarHBondContact NH1-O 3.33Å; R120-S198 PolarHBondContact NH1-OG 3.44Å |
| 121 | V | 97.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.6 | 169.1 | -173.9 | 0 | 0 | 0 | 0 | 107.5 | L102 L125 A136 M140 I153 M155 | L102-V121 HydrophobicContact CD2-CG2 4.28Å; V121-L125 HydrophobicContact CB-CD2 4.3Å; V121-L125 HydrophobicContact CG1-CD2 3.71Å; V121-A136 HydrophobicContact CB-CB 3.9Å; V121-A136 HydrophobicContact CG1-CB 4.13Å; V121-A136 HydrophobicContact CG2-CB 3.64Å; V121-M140 HydrophobicContact CB-SD 4.12Å; V121-M140 PolarHBondContact N-SD 2.96Å; V121-I153 WeakPolarHBondContact CA-O 3.3Å; V121-I153 HydrophobicContact CG2-CB 4.47Å; V121-M155 HydrophobicContact CG1-CB 4.25Å; V121-M155 HydrophobicContact CG1-CG 4.39Å; V121-M155 HydrophobicContact CG1-SD 4.16Å |
| 122 | I | 97 | Very high | 96.7 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.8 | -171.9 | -73.2 | -176.3 | 0 | 0 | 0 | 109.8 | R120 N152 I153 C154 M155 Y157 Y194 T195 | R120-I122 HydrophobicContact CB-CG1 4.32Å; I122-N152 HydrophobicContact CD1-CB 3.8Å; I122-N152 HydrophobicContact CG1-CB 4.46Å; I122-I153 PolarHBondContact N-O 2.82Å; I122-C154 CarbonylContact O-C 3.57Å; I122-C154 VanDerWaalsContact O-CA 3.25Å; I122-C154 WeakPolarHBondContact O-CA 3.33Å; I122-M155 PolarHBondContact O-N 2.87Å; I122-Y157 HydrophobicContact CG2-CD2 3.78Å; I122-Y157 HydrophobicContact CG2-CE2 3.95Å; I122-Y194 HydrophobicContact CG2-CD2 4.32Å; I122-Y194 HydrophobicContact CG2-CG 4.05Å; I122-T195 HydrophobicContact CD1-CG2 4.22Å |
| 123 | G | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 135.7 | -168.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L125 M155 Y194 | G123-L125 PolarHBondContact O-N 3.46Å; G123-M155 WeakPolarHBondContact CA-O 3.37Å; G123-Y194 WeakPolarHBondContact O-CE1 3.41Å |
| 124 | N | 97.5 | Very high | 97.1 | Very high | 40 Ų | 40 | 34.4 Ų | 34.4 | 21% | 0.214 | 21% | 0.214 | C | C | . | . | trans | -83.8 | 86.5 | -178.2 | -171.1 | -12.8 | 0 | 0 | 0 | 110.6 | A126 L127 A156 | N124-A126 PolarHBondContact O-N 2.91Å; N124-A126 VanDerWaalsContact O-N 3.14Å; N124-A126 WeakPolarHBondContact OD1-CB 3.5Å; N124-A126 PolarHBondContact OD1-N 2.69Å; N124-L127 HydrophobicContact CB-CD1 3.99Å; N124-L127 HydrophobicContact CB-CG 4.13Å; N124-L127 WeakPolarHBondContact O-CB 3.33Å; N124-L127 PolarHBondContact O-N 2.87Å; N124-A156 PolarHBondContact N-O 3.38Å; N124-A156 WeakPolarHBondContact O-CB 3.33Å | ||
| 125 | L | 97.2 | Very high | 97.3 | Very high | 19 Ų | 19 | 30.4 Ų | 30.4 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -55.4 | -31 | 179.8 | -64.6 | 179.6 | 0 | 0 | 0 | 112.7 | V121 G123 L127 L128 Q133 A136 M306 L309 | V121-L125 HydrophobicContact CB-CD2 4.3Å; V121-L125 HydrophobicContact CG1-CD2 3.71Å; G123-L125 PolarHBondContact O-N 3.46Å; L125-L127 PolarHBondContact O-N 3.26Å; L125-L127 VanDerWaalsContact O-N 3.14Å; L125-L128 HydrophobicContact CD2-CD1 3.83Å; L125-L128 WeakPolarHBondContact O-CB 3.39Å; L125-L128 PolarHBondContact O-N 3.26Å; L125-Q133 HydrophobicContact CB-CG 4.46Å; L125-Q133 WeakPolarHBondContact O-CG 3.08Å; L125-Q133 PolarHBondContact O-NE2 3.48Å; L125-A136 HydrophobicContact CD2-CB 4.39Å; L125-M306 HydrophobicContact CD1-CE 3.9Å; L125-M306 HydrophobicContact CD1-SD 4.21Å; L125-L309 HydrophobicContact CD1-CD1 4.42Å |
| 126 | A | 96.8 | Very high | 97.6 | Very high | 78 Ų | 78 | 28.6 Ų | 28.6 | 65% | 0.645 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -65.3 | -17.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N124 | N124-A126 PolarHBondContact O-N 2.91Å; N124-A126 VanDerWaalsContact O-N 3.14Å; N124-A126 WeakPolarHBondContact OD1-CB 3.5Å; N124-A126 PolarHBondContact OD1-N 2.69Å |
| 127 | L | 97.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 26.5 Ų | 26.5 | 41% | 0.408 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -83.7 | -11 | 173.3 | -62.7 | 179.4 | 0 | 0 | 0 | 113.4 | I81 F84 N124 L125 A156 | I81-L127 HydrophobicContact CD1-CD1 4.24Å; I81-L127 HydrophobicContact CG1-CD1 4.26Å; I81-L127 HydrophobicContact CG2-CD1 4.44Å; F84-L127 HydrophobicContact CE2-CB 4.02Å; F84-L127 HydrophobicContact CE2-CD1 4.32Å; F84-L127 HydrophobicContact CZ-CB 4.02Å; F84-L127 WeakPolarHBondContact CZ-O 3.37Å; N124-L127 HydrophobicContact CB-CD1 3.99Å; N124-L127 HydrophobicContact CB-CG 4.13Å; N124-L127 WeakPolarHBondContact O-CB 3.33Å; N124-L127 PolarHBondContact O-N 2.87Å; L125-L127 PolarHBondContact O-N 3.26Å; L125-L127 VanDerWaalsContact O-N 3.14Å; L127-A156 HydrophobicContact CB-CB 4.03Å; L127-A156 HydrophobicContact CD1-CB 4.38Å |
| 128 | L | 97.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -90.1 | 156.2 | -177.9 | -58 | 174.5 | 0 | 0 | 0 | 110.8 | F84 M95 L125 V132 Q133 M155 A156 | F84-L128 HydrophobicContact CZ-CD2 4.46Å; M95-L128 HydrophobicContact CE-CD2 4.2Å; M95-L128 HydrophobicContact SD-CD2 4Å; L125-L128 HydrophobicContact CD2-CD1 3.83Å; L125-L128 WeakPolarHBondContact O-CB 3.39Å; L125-L128 PolarHBondContact O-N 3.26Å; L128-V132 HydrophobicContact CB-CB 4.2Å; L128-V132 HydrophobicContact CB-CG1 4.07Å; L128-V132 HydrophobicContact CD1-CG1 3.85Å; L128-V132 HydrophobicContact CG-CG1 4.44Å; L128-Q133 HydrophobicContact CB-CG 4.14Å; L128-Q133 PolarHBondContact O-NE2 3.46Å; L128-M155 HydrophobicContact CD1-CB 4.05Å; L128-M155 HydrophobicContact CD1-CE 4.27Å; L128-M155 HydrophobicContact CD2-CB 4.49Å; L128-M155 HydrophobicContact CD2-CE 4.28Å; L128-A156 HydrophobicContact CD2-CB 3.77Å; L128-A156 HydrophobicContact CG-CB 4.1Å |
| 129 | P | 97.9 | Very high | 97.9 | Very high | 49 Ų | 49 | 28.9 Ų | 28.9 | 32% | 0.318 | 17% | 0.171 | S | C | . | . | trans | -56.6 | 146.6 | 171.7 | -26.1 | 36.2 | 0 | 0 | 0 | 112.5 | M95 K131 V132 Q133 | M95-P129 HydrophobicContact CB-CG 3.97Å; M95-P129 HydrophobicContact CG-CG 3.85Å; M95-P129 HydrophobicContact SD-CG 4.2Å; P129-K131 PolarHBondContact O-N 2.84Å; P129-K131 VanDerWaalsContact O-N 3.11Å; P129-V132 HydrophobicContact CB-CG2 4.26Å; P129-V132 HydrophobicContact CG-CG2 4.31Å; P129-V132 WeakPolarHBondContact O-CB 2.92Å; P129-V132 PolarHBondContact O-N 3.3Å; P129-Q133 PolarHBondContact O-N 3.26Å | ||
| 130 | A | 98 | Very high | 98 | Very high | 80 Ų | 80 | 29.3 Ų | 29.3 | 66% | 0.661 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -54.6 | -36.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q133 S134 | A130-Q133 WeakPolarHBondContact O-CB 2.98Å; A130-Q133 PolarHBondContact O-N 3.16Å; A130-S134 PolarHBondContact O-N 2.85Å |
| 131 | K | 97.9 | Very high | 98 | Very high | 98 Ų | 98 | 29.1 Ų | 29.1 | 43% | 0.426 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.2 | -42.2 | 177.7 | -175.9 | 59.8 | 175.6 | 173.8 | 0 | 112.3 | E99 P129 Q133 S134 L135 | E99-K131 HydrophobicContact CG-CB 4.45Å; E99-K131 HydrophobicContact CG-CG 4.22Å; E99-K131 WeakPolarHBondContact OE2-CG 3.46Å; P129-K131 PolarHBondContact O-N 2.84Å; P129-K131 VanDerWaalsContact O-N 3.11Å; K131-Q133 VanDerWaalsContact C-N 3.33Å; K131-Q133 PolarHBondContact O-N 3.42Å; K131-S134 PolarHBondContact O-N 3.46Å; K131-L135 HydrophobicContact CD-CD1 4.37Å; K131-L135 HydrophobicContact CD-CG 4.33Å; K131-L135 HydrophobicContact CG-CD1 4.19Å; K131-L135 WeakPolarHBondContact O-CG 3.22Å; K131-L135 PolarHBondContact O-N 2.95Å |
| 132 | V | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -45 | 171.5 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | E99 L102 L128 P129 S134 L135 A136 M155 | E99-V132 HydrophobicContact CG-CB 4.4Å; E99-V132 HydrophobicContact CG-CG2 3.32Å; L102-V132 HydrophobicContact CD1-CG1 3.95Å; L128-V132 HydrophobicContact CB-CB 4.2Å; L128-V132 HydrophobicContact CB-CG1 4.07Å; L128-V132 HydrophobicContact CD1-CG1 3.85Å; L128-V132 HydrophobicContact CG-CG1 4.44Å; P129-V132 HydrophobicContact CB-CG2 4.26Å; P129-V132 HydrophobicContact CG-CG2 4.31Å; P129-V132 WeakPolarHBondContact O-CB 2.92Å; P129-V132 PolarHBondContact O-N 3.3Å; V132-S134 VanDerWaalsContact C-N 3.35Å; V132-S134 PolarHBondContact O-N 2.79Å; V132-L135 PolarHBondContact O-N 2.91Å; V132-A136 WeakPolarHBondContact O-CB 3.36Å; V132-A136 PolarHBondContact O-N 3.12Å; V132-M155 HydrophobicContact CG1-CE 3.89Å |
| 133 | Q | 98.6 | Very high | 98 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 177.8 | -64.9 | -176.2 | 46.3 | 0 | 0 | 111.7 | L125 L128 P129 A130 K131 A136 A137 L309 | L125-Q133 HydrophobicContact CB-CG 4.46Å; L125-Q133 WeakPolarHBondContact O-CG 3.08Å; L125-Q133 PolarHBondContact O-NE2 3.48Å; L128-Q133 HydrophobicContact CB-CG 4.14Å; L128-Q133 PolarHBondContact O-NE2 3.46Å; P129-Q133 PolarHBondContact O-N 3.26Å; A130-Q133 WeakPolarHBondContact O-CB 2.98Å; A130-Q133 PolarHBondContact O-N 3.16Å; K131-Q133 VanDerWaalsContact C-N 3.33Å; K131-Q133 PolarHBondContact O-N 3.42Å; Q133-A136 PolarHBondContact O-N 2.94Å; Q133-A137 WeakPolarHBondContact O-CB 3.46Å; Q133-A137 PolarHBondContact O-N 3.44Å; Q133-L309 HydrophobicContact CB-CD2 4.35Å |
| 134 | S | 98.6 | Very high | 98 | Very high | 15 Ų | 15 | 37 Ų | 37 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -46.1 | -179.9 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | A130 K131 V132 A136 A137 Q138 L309 A310 | A130-S134 PolarHBondContact O-N 2.85Å; K131-S134 PolarHBondContact O-N 3.46Å; V132-S134 VanDerWaalsContact C-N 3.35Å; V132-S134 PolarHBondContact O-N 2.79Å; S134-A136 PolarHBondContact O-N 3.43Å; S134-A137 PolarHBondContact O-N 3.24Å; S134-Q138 WeakPolarHBondContact O-CB 3.27Å; S134-Q138 VanDerWaalsContact O-CG 3.29Å; S134-Q138 WeakPolarHBondContact O-CG 3.39Å; S134-Q138 PolarHBondContact O-N 3.33Å; S134-Q138 PolarHBondContact OG-NE2 3.23Å; S134-L309 WeakPolarHBondContact CA-O 3.36Å; S134-L309 WeakPolarHBondContact CB-O 3.5Å; S134-L309 PolarHBondContact OG-O 2.92Å; S134-L309 VanDerWaalsContact OG-O 3.12Å; S134-A310 PolarHBondContact OG-O 2.99Å |
| 135 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.3 | -68.3 | 172.7 | 0 | 0 | 0 | 112.2 | E99 L102 Q103 L106 K131 V132 Q138 L139 | E99-L135 HydrophobicContact CB-CD1 4.17Å; E99-L135 WeakPolarHBondContact O-CD1 3.37Å; L102-L135 HydrophobicContact CB-CB 3.83Å; L102-L135 HydrophobicContact CB-CD1 4.31Å; L102-L135 HydrophobicContact CD1-CB 4.25Å; Q103-L135 HydrophobicContact CB-CD1 4.24Å; Q103-L135 HydrophobicContact CB-CD2 4.34Å; L106-L135 HydrophobicContact CD2-CD2 4.36Å; K131-L135 HydrophobicContact CD-CD1 4.37Å; K131-L135 HydrophobicContact CD-CG 4.33Å; K131-L135 HydrophobicContact CG-CD1 4.19Å; K131-L135 WeakPolarHBondContact O-CG 3.22Å; K131-L135 PolarHBondContact O-N 2.95Å; V132-L135 PolarHBondContact O-N 2.91Å; L135-Q138 PolarHBondContact O-N 2.93Å; L135-L139 VanDerWaalsContact O-CB 3.3Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 PolarHBondContact O-N 3.28Å |
| 136 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L102 V121 L125 V132 Q133 S134 L139 M140 | L102-A136 HydrophobicContact CD1-CB 4.35Å; V121-A136 HydrophobicContact CB-CB 3.9Å; V121-A136 HydrophobicContact CG1-CB 4.13Å; V121-A136 HydrophobicContact CG2-CB 3.64Å; L125-A136 HydrophobicContact CD2-CB 4.39Å; V132-A136 WeakPolarHBondContact O-CB 3.36Å; V132-A136 PolarHBondContact O-N 3.12Å; Q133-A136 PolarHBondContact O-N 2.94Å; S134-A136 PolarHBondContact O-N 3.43Å; A136-L139 PolarHBondContact O-N 3Å; A136-M140 WeakPolarHBondContact O-CB 3.23Å; A136-M140 VanDerWaalsContact O-CG 3.23Å; A136-M140 WeakPolarHBondContact O-CG 3.22Å; A136-M140 PolarHBondContact O-N 3.47Å |
| 137 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q133 S134 L139 M140 L141 M306 L309 A310 | Q133-A137 WeakPolarHBondContact O-CB 3.46Å; Q133-A137 PolarHBondContact O-N 3.44Å; S134-A137 PolarHBondContact O-N 3.24Å; A137-L139 PolarHBondContact O-N 2.68Å; A137-M140 PolarHBondContact O-N 3.36Å; A137-L141 WeakPolarHBondContact O-CB 3.34Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.09Å; A137-L141 PolarHBondContact O-N 3.01Å; A137-M306 HydrophobicContact CB-CB 4.4Å; A137-M306 WeakPolarHBondContact CB-O 3.5Å; A137-M306 HydrophobicContact CB-SD 4.03Å; A137-L309 HydrophobicContact CB-CB 3.67Å; A137-A310 HydrophobicContact CB-CB 4.12Å |
| 138 | Q | 98.6 | Very high | 97.6 | Very high | 57 Ų | 57 | 45.2 Ų | 45.2 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 175.2 | -73.2 | 177.6 | 54.7 | 0 | 0 | 111.6 | L106 S134 L135 M140 L141 V142 A310 | L106-Q138 HydrophobicContact CD1-CB 4.34Å; L106-Q138 HydrophobicContact CD2-CB 4.06Å; S134-Q138 WeakPolarHBondContact O-CB 3.27Å; S134-Q138 VanDerWaalsContact O-CG 3.29Å; S134-Q138 WeakPolarHBondContact O-CG 3.39Å; S134-Q138 PolarHBondContact O-N 3.33Å; S134-Q138 PolarHBondContact OG-NE2 3.23Å; L135-Q138 PolarHBondContact O-N 2.93Å; Q138-M140 PolarHBondContact O-N 2.88Å; Q138-L141 PolarHBondContact O-N 2.84Å; Q138-V142 WeakPolarHBondContact O-CB 3.04Å; Q138-V142 VanDerWaalsContact O-CG2 3.32Å; Q138-V142 WeakPolarHBondContact O-CG2 3.28Å; Q138-V142 PolarHBondContact O-N 2.85Å; Q138-A310 HydrophobicContact CG-CB 3.68Å; Q138-A310 PolarHBondContact NE2-O 2.8Å |
| 139 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | -178.9 | -174 | 60.8 | 0 | 0 | 0 | 111.9 | L102 L105 L112 I119 L135 A136 A137 T143 | L102-L139 HydrophobicContact CD2-CD2 3.82Å; L105-L139 HydrophobicContact CB-CD1 4.08Å; L105-L139 HydrophobicContact CB-CD2 3.82Å; L105-L139 HydrophobicContact CD1-CD2 3.9Å; L105-L139 HydrophobicContact CG-CD2 4.5Å; L112-L139 HydrophobicContact CD1-CD1 3.81Å; I119-L139 HydrophobicContact CB-CD2 4.11Å; I119-L139 HydrophobicContact CB-CG 3.99Å; I119-L139 HydrophobicContact CG1-CD1 4.41Å; I119-L139 HydrophobicContact CG1-CD2 4.27Å; I119-L139 HydrophobicContact CG1-CG 4.23Å; I119-L139 HydrophobicContact CG2-CD2 3.66Å; I119-L139 HydrophobicContact CG2-CG 4.05Å; L135-L139 VanDerWaalsContact O-CB 3.3Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 PolarHBondContact O-N 3.28Å; A136-L139 PolarHBondContact O-N 3Å; A137-L139 PolarHBondContact O-N 2.68Å; L139-T143 HydrophobicContact CD1-CG2 4.24Å; L139-T143 WeakPolarHBondContact O-CB 3.22Å; L139-T143 WeakPolarHBondContact O-CG2 3.31Å; L139-T143 PolarHBondContact O-N 2.84Å; L139-T143 VanDerWaalsContact O-N 3.13Å; L139-T143 PolarHBondContact O-OG1 3.38Å |
| 140 | M | 98.1 | Very high | 97.5 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.044 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 174.6 | -73.3 | -174 | 61.7 | 0 | 0 | 112.1 | R120 V121 A136 A137 Q138 T143 R144 F302 W303 M306 | R120-M140 HydrophobicContact CB-CE 4.45Å; V121-M140 HydrophobicContact CB-SD 4.12Å; V121-M140 PolarHBondContact N-SD 2.96Å; A136-M140 WeakPolarHBondContact O-CB 3.23Å; A136-M140 VanDerWaalsContact O-CG 3.23Å; A136-M140 WeakPolarHBondContact O-CG 3.22Å; A136-M140 PolarHBondContact O-N 3.47Å; A137-M140 PolarHBondContact O-N 3.36Å; Q138-M140 PolarHBondContact O-N 2.88Å; M140-T143 PolarHBondContact O-N 2.72Å; M140-R144 WeakPolarHBondContact O-CA 3.31Å; M140-R144 VanDerWaalsContact O-CB 3.31Å; M140-R144 WeakPolarHBondContact O-CB 3.25Å; M140-R144 PolarHBondContact O-N 3.48Å; M140-F302 HydrophobicContact CE-CE1 3.76Å; M140-F302 HydrophobicContact CE-CZ 3.47Å; M140-F302 VanDerWaalsContact CE-CZ 3.47Å; M140-W303 HydrophobicContact CB-CZ3 4.32Å; M140-W303 HydrophobicContact CE-CH2 4.42Å; M140-M306 HydrophobicContact SD-SD 4.31Å |
| 141 | L | 98.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 40.1 Ų | 40.1 | 16% | 0.162 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 178.5 | -76.4 | 166.9 | 0 | 0 | 0 | 112.4 | A137 Q138 T143 R144 W303 M306 A310 | A137-L141 WeakPolarHBondContact O-CB 3.34Å; A137-L141 VanDerWaalsContact O-CG 3.3Å; A137-L141 WeakPolarHBondContact O-CG 3.09Å; A137-L141 PolarHBondContact O-N 3.01Å; Q138-L141 PolarHBondContact O-N 2.84Å; L141-T143 VanDerWaalsContact C-N 3.32Å; L141-T143 PolarHBondContact O-N 2.94Å; L141-R144 WeakPolarHBondContact O-CG 3.41Å; L141-W303 HydrophobicContact CD2-CE3 3.7Å; L141-W303 HydrophobicContact CD2-CZ3 4.05Å; L141-W303 HydrophobicContact CG-CZ3 4.48Å; L141-M306 HydrophobicContact CD1-CB 4.32Å; L141-M306 HydrophobicContact CD2-CB 4.2Å; L141-M306 HydrophobicContact CG-CB 4.12Å; L141-A310 HydrophobicContact CD1-CB 3.7Å |
| 142 | V | 97.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 35.4 Ų | 35.4 | 41% | 0.412 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.3 | -33.3 | -179 | 168.1 | 0 | 0 | 0 | 0 | 111.8 | L106 K109 Q138 | L106-V142 HydrophobicContact CD1-CG2 4.23Å; K109-V142 HydrophobicContact CB-CG1 4.02Å; K109-V142 HydrophobicContact CD-CG1 4.38Å; Q138-V142 WeakPolarHBondContact O-CB 3.04Å; Q138-V142 VanDerWaalsContact O-CG2 3.32Å; Q138-V142 WeakPolarHBondContact O-CG2 3.28Å; Q138-V142 PolarHBondContact O-N 2.85Å |
| 143 | T | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -104.7 | 0.1 | -173.9 | 64.8 | 0 | 0 | 0 | 0 | 114.6 | L112 I117 I119 L139 M140 L141 N145 H146 | L112-T143 HydrophobicContact CB-CG2 4.47Å; L112-T143 HydrophobicContact CD1-CG2 4.05Å; I117-T143 WeakPolarHBondContact O-CB 3.44Å; I119-T143 HydrophobicContact CG1-CG2 4.3Å; I119-T143 PolarHBondContact N-OG1 2.79Å; I119-T143 PolarHBondContact O-OG1 2.64Å; L139-T143 HydrophobicContact CD1-CG2 4.24Å; L139-T143 WeakPolarHBondContact O-CB 3.22Å; L139-T143 WeakPolarHBondContact O-CG2 3.31Å; L139-T143 PolarHBondContact O-N 2.84Å; L139-T143 VanDerWaalsContact O-N 3.13Å; L139-T143 PolarHBondContact O-OG1 3.38Å; M140-T143 PolarHBondContact O-N 2.72Å; L141-T143 VanDerWaalsContact C-N 3.32Å; L141-T143 PolarHBondContact O-N 2.94Å; T143-N145 PolarHBondContact O-N 2.69Å; T143-N145 VanDerWaalsContact O-N 3.1Å; T143-H146 WeakPolarHBondContact O-CB 3.16Å; T143-H146 PolarHBondContact O-N 3.45Å |
| 144 | R | 96.7 | Very high | 97.6 | Very high | 116 Ų | 116 | 34.5 Ų | 34.5 | 44% | 0.438 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.1 | -173.2 | 70.2 | -173.9 | -179 | 167 | -0.9 | 115.8 | M140 L141 W303 | M140-R144 WeakPolarHBondContact O-CA 3.31Å; M140-R144 VanDerWaalsContact O-CB 3.31Å; M140-R144 WeakPolarHBondContact O-CB 3.25Å; M140-R144 PolarHBondContact O-N 3.48Å; L141-R144 WeakPolarHBondContact O-CG 3.41Å; R144-W303 HydrophobicContact CB-CH2 3.44Å; R144-W303 VanDerWaalsContact CB-CH2 3.44Å; R144-W303 HydrophobicContact CB-CZ2 3.84Å; R144-W303 HydrophobicContact CB-CZ3 4.07Å; R144-W303 HydrophobicContact CG-CH2 4.44Å |
| 145 | N | 96.5 | Very high | 97.5 | Very high | 135 Ų | 135 | 34 Ų | 34 | 72% | 0.722 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -4.5 | -177.7 | -68.8 | -24.1 | 0 | 0 | 0 | 112.6 | T143 | T143-N145 PolarHBondContact O-N 2.69Å; T143-N145 VanDerWaalsContact O-N 3.1Å |
| 146 | H | 96.9 | Very high | 97.5 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | trans | -76.3 | 151.8 | 173.4 | -58.2 | 157.7 | 0 | 0 | 0 | 110.2 | D116 I117 C118 T143 | D116-H146 WeakPolarHBondContact OD1-CA 3.36Å; D116-H146 WeakPolarHBondContact OD1-CB 3.44Å; D116-H146 IonicContact OD1-CD2 3.49Å; D116-H146 IonicContact OD1-CG 3.33Å; I117-H146 VanDerWaalsContact C-CB 3.44Å; I117-H146 PolarHBondContact O-ND1 3.29Å; C118-H146 HydrophobicContact CB-CB 4.11Å; C118-H146 WeakPolarHBondContact CB-O 3.34Å; T143-H146 WeakPolarHBondContact O-CB 3.16Å; T143-H146 PolarHBondContact O-N 3.45Å | ||
| 147 | S | 94.1 | Very high | 97.5 | Very high | 89 Ų | 89 | 34 Ų | 34 | 62% | 0.622 | 17% | 0.173 | S | C | * | . | trans | -145 | -20.5 | -170.6 | 66.3 | 0 | 0 | 0 | 0 | 116.5 | D116 | D116-S147 PolarHBondContact OD1-N 2.94Å; D116-S147 PolarHBondContact OD2-N 2.73Å | ||
| 148 | K | 94.2 | Very high | 97.4 | Very high | 132 Ų | 132 | 34.5 Ų | 34.5 | 57% | 0.574 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -67.8 | -40.5 | -176.7 | -179.4 | -176.9 | 178 | -174.5 | 0 | 113.3 | D116 | D116-K148 HydrophobicContact CB-CB 3.77Å; D116-K148 HydrophobicContact CB-CD 4.32Å; D116-K148 PolarHBondContact O-N 3.14Å; D116-K148 WeakPolarHBondContact OD2-CB 3.06Å; D116-K148 PolarHBondContact OD2-N 3.28Å |
| 149 | S | 96.2 | Very high | 97.4 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 128.1 | 179.7 | -67 | 0 | 0 | 0 | 0 | 109.6 | E72 D116 I117 C118 | E72-S149 CarbonylContact O-C 3.49Å; E72-S149 WeakPolarHBondContact O-CA 3.33Å; D116-S149 PolarHBondContact O-N 2.82Å; D116-S149 VanDerWaalsContact O-N 3.11Å; I117-S149 CarbonylContact C-O 3.51Å; I117-S149 VanDerWaalsContact CA-O 3.27Å; I117-S149 WeakPolarHBondContact CA-O 3.47Å; C118-S149 PolarHBondContact N-O 2.96Å |
| 150 | I | 98.1 | Very high | 97.4 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.082 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.4 | -178.2 | -63.3 | 151.5 | 0 | 0 | 0 | 108.7 | E72 E73 V74 C118 | E72-I150 PolarHBondContact O-N 3.47Å; E73-I150 CarbonylContact C-O 3.51Å; E73-I150 WeakPolarHBondContact CA-O 3.31Å; E73-I150 HydrophobicContact CB-CB 4.09Å; E73-I150 HydrophobicContact CG-CB 3.83Å; E73-I150 HydrophobicContact CG-CG2 3.73Å; V74-I150 PolarHBondContact N-O 2.87Å; C118-I150 HydrophobicContact CB-CG1 4.06Å; C118-I150 CarbonylContact O-C 3.56Å; C118-I150 WeakPolarHBondContact O-CA 3.25Å |
| 151 | L | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.9 | 165.4 | 175.5 | 67.9 | 0 | 0 | 0 | 110.1 | W3 L63 V74 I76 C118 I119 R120 I153 | W3-L151 HydrophobicContact CE3-CD2 4.31Å; W3-L151 HydrophobicContact CH2-CB 3.43Å; W3-L151 VanDerWaalsContact CH2-CB 3.43Å; W3-L151 HydrophobicContact CH2-CD1 3.49Å; W3-L151 VanDerWaalsContact CH2-CD1 3.49Å; W3-L151 HydrophobicContact CH2-CD2 3.06Å; W3-L151 HydrophobicContact CH2-CG 3.42Å; W3-L151 VanDerWaalsContact CH2-CG 3.42Å; W3-L151 HydrophobicContact CZ2-CB 3.84Å; W3-L151 HydrophobicContact CZ2-CD1 4.31Å; W3-L151 HydrophobicContact CZ2-CD2 4.22Å; W3-L151 HydrophobicContact CZ2-CG 4.29Å; W3-L151 HydrophobicContact CZ3-CB 4.22Å; W3-L151 HydrophobicContact CZ3-CD1 4.37Å; W3-L151 HydrophobicContact CZ3-CD2 3.11Å; W3-L151 HydrophobicContact CZ3-CG 4.02Å; L63-L151 HydrophobicContact CD2-CD1 4.13Å; V74-L151 HydrophobicContact CB-CD1 4.35Å; V74-L151 HydrophobicContact CG1-CD1 4.43Å; V74-L151 CarbonylContact O-C 3.49Å; V74-L151 WeakPolarHBondContact O-CA 3.44Å; V74-L151 WeakPolarHBondContact O-CD1 3.46Å; I76-L151 HydrophobicContact CD1-CD1 4.09Å; I76-L151 HydrophobicContact CG1-CD1 4.03Å; I76-L151 HydrophobicContact CG2-CD1 4.19Å; C118-L151 PolarHBondContact O-N 2.81Å; I119-L151 HydrophobicContact CD1-CB 3.79Å; I119-L151 HydrophobicContact CD1-CD2 3.8Å; I119-L151 HydrophobicContact CD1-CG 4.43Å; I119-L151 HydrophobicContact CG2-CD2 4.43Å; R120-L151 PolarHBondContact N-O 3.07Å; L151-I153 HydrophobicContact CD2-CD1 3.77Å; L151-I153 HydrophobicContact CD2-CG1 3.4Å; L151-I153 VanDerWaalsContact CD2-CG1 3.4Å; L151-I153 HydrophobicContact CG-CG1 3.85Å |
| 152 | N | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.4 | 163.6 | -52 | -54 | 0 | 0 | 0 | 110.2 | E73 V74 S75 I76 R120 I122 S198 | E73-N152 PolarHBondContact OE1-ND2 2.96Å; V74-N152 PolarHBondContact O-N 3.18Å; S75-N152 CarbonylContact C-O 3.55Å; S75-N152 WeakPolarHBondContact CA-O 3.34Å; S75-N152 WeakPolarHBondContact OG-CB 3.47Å; S75-N152 PolarHBondContact OG-ND2 3.17Å; I76-N152 WeakPolarHBondContact CG1-O 3.43Å; I76-N152 PolarHBondContact N-O 3.36Å; R120-N152 WeakPolarHBondContact CD-OD1 3.4Å; R120-N152 CarbonylContact O-C 3.58Å; R120-N152 WeakPolarHBondContact O-CA 3.49Å; I122-N152 HydrophobicContact CD1-CB 3.8Å; I122-N152 HydrophobicContact CG1-CB 4.46Å; N152-S198 PolarHBondContact ND2-OG 2.73Å |
| 153 | I | 98 | Very high | 97.4 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 104.7 | 172.1 | -48.1 | -178.4 | 0 | 0 | 0 | 107.8 | I76 T78 L102 I119 R120 V121 I122 L151 M155 | I76-I153 HydrophobicContact CD1-CG1 4.36Å; I76-I153 HydrophobicContact CD1-CG2 4.28Å; I76-I153 HydrophobicContact CG1-CG2 4.4Å; T78-I153 HydrophobicContact CG2-CG2 4.36Å; T78-I153 WeakPolarHBondContact OG1-CG2 3.3Å; L102-I153 HydrophobicContact CD2-CD1 4.19Å; I119-I153 HydrophobicContact CG2-CD1 3.91Å; I119-I153 HydrophobicContact CG2-CG1 4.29Å; R120-I153 PolarHBondContact O-N 2.72Å; V121-I153 WeakPolarHBondContact CA-O 3.3Å; V121-I153 HydrophobicContact CG2-CB 4.47Å; I122-I153 PolarHBondContact N-O 2.82Å; L151-I153 HydrophobicContact CD2-CD1 3.77Å; L151-I153 HydrophobicContact CD2-CG1 3.4Å; L151-I153 VanDerWaalsContact CD2-CG1 3.4Å; L151-I153 HydrophobicContact CG-CG1 3.85Å; I153-M155 HydrophobicContact CG2-CG 3.82Å; I153-M155 HydrophobicContact CG2-SD 3.95Å; I153-M155 PolarHBondContact O-N 3.27Å |
| 154 | C | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 110.7 | -179.9 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | I76 F77 T78 F79 I122 Y157 F216 | I76-C154 VanDerWaalsContact O-CB 3.27Å; I76-C154 WeakPolarHBondContact O-CB 3.22Å; I76-C154 PolarHBondContact O-N 2.99Å; F77-C154 HydrophobicContact CD2-CB 4.35Å; T78-C154 WeakPolarHBondContact CB-O 3.25Å; T78-C154 PolarHBondContact N-O 3Å; F79-C154 PolarHBondContact N-O 2.9Å; F79-C154 VanDerWaalsContact N-O 3.13Å; I122-C154 CarbonylContact O-C 3.57Å; I122-C154 VanDerWaalsContact O-CA 3.25Å; I122-C154 WeakPolarHBondContact O-CA 3.33Å; C154-Y157 HydrophobicContact CB-CD1 4.34Å; C154-Y157 HydrophobicContact CB-CG 4.07Å; C154-F216 HydrophobicContact CB-CE2 3.85Å |
| 155 | M | 97.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.02 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.6 | -175.6 | -68.5 | -176.1 | 67.3 | 0 | 0 | 111.2 | T78 F79 A98 V121 I122 G123 L128 V132 I153 Y157 | T78-M155 HydrophobicContact CG2-CG 4.27Å; F79-M155 CarbonylContact O-C 3.46Å; F79-M155 WeakPolarHBondContact O-CA 3.38Å; A98-M155 HydrophobicContact CB-CE 3.54Å; V121-M155 HydrophobicContact CG1-CB 4.25Å; V121-M155 HydrophobicContact CG1-CG 4.39Å; V121-M155 HydrophobicContact CG1-SD 4.16Å; I122-M155 PolarHBondContact O-N 2.87Å; G123-M155 WeakPolarHBondContact CA-O 3.37Å; L128-M155 HydrophobicContact CD1-CB 4.05Å; L128-M155 HydrophobicContact CD1-CE 4.27Å; L128-M155 HydrophobicContact CD2-CB 4.49Å; L128-M155 HydrophobicContact CD2-CE 4.28Å; V132-M155 HydrophobicContact CG1-CE 3.89Å; I153-M155 HydrophobicContact CG2-CG 3.82Å; I153-M155 HydrophobicContact CG2-SD 3.95Å; I153-M155 PolarHBondContact O-N 3.27Å; M155-Y157 PolarHBondContact O-N 2.72Å |
| 156 | A | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.6 | 46.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F79 I81 F84 N124 L127 L128 | F79-A156 PolarHBondContact O-N 3.31Å; I81-A156 VanDerWaalsContact CG1-O 3.28Å; I81-A156 WeakPolarHBondContact CG1-O 3.06Å; F84-A156 HydrophobicContact CE2-CB 3.95Å; F84-A156 HydrophobicContact CZ-CB 4.33Å; N124-A156 PolarHBondContact N-O 3.38Å; N124-A156 WeakPolarHBondContact O-CB 3.33Å; L127-A156 HydrophobicContact CB-CB 4.03Å; L127-A156 HydrophobicContact CD1-CB 4.38Å; L128-A156 HydrophobicContact CD2-CB 3.77Å; L128-A156 HydrophobicContact CG-CB 4.1Å |
| 157 | Y | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.8 | -174.5 | -179.5 | -86.2 | 0 | 0 | 0 | 110.8 | F77 F79 S80 I81 I122 C154 M155 S159 D162 Y194 F216 L217 | F77-Y157 HydrophobicContact CE2-CD1 4.16Å; F77-Y157 WeakPolarHBondContact CE2-O 3.33Å; F79-Y157 PolarHBondContact O-N 3.09Å; S80-Y157 WeakPolarHBondContact CA-O 3.38Å; I81-Y157 PolarHBondContact N-O 3.4Å; I122-Y157 HydrophobicContact CG2-CD2 3.78Å; I122-Y157 HydrophobicContact CG2-CE2 3.95Å; C154-Y157 HydrophobicContact CB-CD1 4.34Å; C154-Y157 HydrophobicContact CB-CG 4.07Å; M155-Y157 PolarHBondContact O-N 2.72Å; Y157-S159 PolarHBondContact OH-OG 2.99Å; Y157-D162 HydrophobicContact CE2-CB 3.76Å; Y157-D162 VanDerWaalsContact CE2-OD2 3.27Å; Y157-D162 WeakPolarHBondContact CE2-OD2 3.4Å; Y157-D162 PolarHBondContact OH-OD2 2.85Å; Y157-Y194 HydrophobicContact CD2-CD2 4.16Å; Y157-Y194 HydrophobicContact CE2-CD2 4.05Å; Y157-F216 HydrophobicContact CD1-CD2 4.01Å; Y157-F216 HydrophobicContact CD1-CE2 4.39Å; Y157-F216 HydrophobicContact CE1-CD2 4.03Å; Y157-F216 HydrophobicContact CE1-CE2 4.5Å; Y157-L217 HydrophobicContact CE1-CD2 4.28Å |
| 158 | N | 97.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | trans | -153.2 | 156.2 | 153.4 | 70.6 | 25 | 0 | 0 | 0 | 108.3 | R160 N161 D162 D215 | N158-R160 PolarHBondContact O-N 3.47Å; N158-N161 PolarHBondContact O-N 2.92Å; N158-N161 WeakPolarHBondContact OD1-CA 3.47Å; N158-N161 WeakPolarHBondContact OD1-CB 3.47Å; N158-N161 PolarHBondContact OD1-N 3.42Å; N158-D162 PolarHBondContact O-N 2.89Å; N158-D215 CarbonylContact C-O 3.49Å; N158-D215 WeakPolarHBondContact CA-O 3.43Å; N158-D215 HydrophobicContact CB-CB 4.17Å; N158-D215 WeakPolarHBondContact CB-OD2 3.48Å; N158-D215 VanDerWaalsContact CG-OD2 3.23Å | ||
| 159 | S | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.6 | -33 | -172.2 | -66.4 | 0 | 0 | 0 | 0 | 113 | Y157 N161 D162 I163 D215 L217 T218 | Y157-S159 PolarHBondContact OH-OG 2.99Å; S159-N161 VanDerWaalsContact C-N 3.34Å; S159-N161 PolarHBondContact O-N 3.44Å; S159-D162 PolarHBondContact O-N 2.93Å; S159-I163 WeakPolarHBondContact O-CB 3.31Å; S159-I163 WeakPolarHBondContact O-CD1 3.43Å; S159-I163 VanDerWaalsContact O-CG1 3.23Å; S159-I163 WeakPolarHBondContact O-CG1 3.29Å; S159-I163 PolarHBondContact O-N 3.23Å; S159-D215 WeakPolarHBondContact CB-OD1 3.32Å; S159-D215 PolarHBondContact N-O 3.16Å; S159-D215 PolarHBondContact N-OD1 3.03Å; S159-D215 PolarHBondContact OG-O 3.48Å; S159-L217 WeakPolarHBondContact OG-CA 3.49Å; S159-L217 PolarHBondContact OG-N 3.42Å; S159-T218 WeakPolarHBondContact CB-OG1 3.43Å; S159-T218 PolarHBondContact OG-N 3.13Å; S159-T218 PolarHBondContact OG-OG1 3.31Å |
| 160 | R | 98 | Very high | 98.1 | Very high | 144 Ų | 144 | 30 Ų | 30 | 54% | 0.543 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 173 | -74.7 | 172.3 | -70.7 | 153.9 | 6.4 | 112.4 | D82 N158 T164 D215 | D82-R160 IonicContact OD2-NH2 3.53Å; N158-R160 PolarHBondContact O-N 3.47Å; R160-T164 WeakPolarHBondContact O-CB 3.34Å; R160-T164 PolarHBondContact O-N 3.05Å; R160-T164 PolarHBondContact O-OG1 3.32Å; R160-D215 IonicContact CZ-OD2 2.7Å; R160-D215 PolarHBondContact N-OD1 2.79Å; R160-D215 VanDerWaalsContact NE-CG 3.33Å; R160-D215 IonicContact NE-OD1 2.89Å; R160-D215 IonicContact NE-OD2 3.64Å; R160-D215 PolarHBondContact NE-OD2 3.19Å; R160-D215 IonicContact NH2-OD2 3.3Å; R160-D215 PolarHBondContact NH2-OD2 3.26Å |
| 161 | N | 97.9 | Very high | 98.1 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.2 | -40.4 | 176.8 | -174.9 | -104.4 | 0 | 0 | 0 | 111.9 | I81 N158 S159 I163 T164 N165 | I81-N161 HydrophobicContact CD1-CB 3.44Å; I81-N161 VanDerWaalsContact CD1-CB 3.44Å; I81-N161 VanDerWaalsContact CD1-CG 3.46Å; N158-N161 PolarHBondContact O-N 2.92Å; N158-N161 WeakPolarHBondContact OD1-CA 3.47Å; N158-N161 WeakPolarHBondContact OD1-CB 3.47Å; N158-N161 PolarHBondContact OD1-N 3.42Å; S159-N161 VanDerWaalsContact C-N 3.34Å; S159-N161 PolarHBondContact O-N 3.44Å; N161-I163 PolarHBondContact O-N 3.35Å; N161-T164 PolarHBondContact O-N 3.26Å; N161-N165 WeakPolarHBondContact O-CB 3.37Å; N161-N165 PolarHBondContact O-N 3.15Å |
| 162 | D | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.2 | -48.8 | 174.2 | -170.7 | 10 | 0 | 0 | 0 | 111.2 | Y157 N158 S159 T164 N165 A166 L193 Y194 | Y157-D162 HydrophobicContact CE2-CB 3.76Å; Y157-D162 VanDerWaalsContact CE2-OD2 3.27Å; Y157-D162 WeakPolarHBondContact CE2-OD2 3.4Å; Y157-D162 PolarHBondContact OH-OD2 2.85Å; N158-D162 PolarHBondContact O-N 2.89Å; S159-D162 PolarHBondContact O-N 2.93Å; D162-T164 PolarHBondContact O-N 3.18Å; D162-N165 PolarHBondContact O-N 2.87Å; D162-A166 WeakPolarHBondContact O-CB 3.45Å; D162-A166 PolarHBondContact O-N 2.8Å; D162-L193 HydrophobicContact CB-CD2 4.3Å; D162-L193 WeakPolarHBondContact OD1-CA 3.33Å; D162-L193 WeakPolarHBondContact OD1-CD2 3.45Å; D162-Y194 HydrophobicContact CB-CD2 3.98Å; D162-Y194 HydrophobicContact CB-CE2 4.28Å; D162-Y194 VanDerWaalsContact CG-CD2 3.49Å; D162-Y194 WeakPolarHBondContact OD1-CD2 3.41Å; D162-Y194 PolarHBondContact OD1-N 3.2Å |
| 163 | I | 98.1 | Very high | 98.1 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 175.3 | -66.4 | 163.5 | 0 | 0 | 0 | 110.8 | S159 N161 N165 A166 M167 L193 W219 | S159-I163 WeakPolarHBondContact O-CB 3.31Å; S159-I163 WeakPolarHBondContact O-CD1 3.43Å; S159-I163 VanDerWaalsContact O-CG1 3.23Å; S159-I163 WeakPolarHBondContact O-CG1 3.29Å; S159-I163 PolarHBondContact O-N 3.23Å; N161-I163 PolarHBondContact O-N 3.35Å; I163-N165 VanDerWaalsContact C-N 3.31Å; I163-N165 PolarHBondContact O-N 2.96Å; I163-A166 PolarHBondContact O-N 2.95Å; I163-M167 HydrophobicContact CG2-CE 4.22Å; I163-M167 HydrophobicContact CG2-CG 4.41Å; I163-M167 VanDerWaalsContact O-CG 3.27Å; I163-M167 WeakPolarHBondContact O-CG 3.01Å; I163-M167 PolarHBondContact O-N 3.25Å; I163-L193 HydrophobicContact CG1-CD2 4.1Å; I163-W219 HydrophobicContact CD1-CE3 4.04Å; I163-W219 HydrophobicContact CG1-CE3 4.13Å |
| 164 | T | 98.3 | Very high | 98.1 | Very high | 90 Ų | 90 | 39 Ų | 39 | 55% | 0.552 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -60.4 | -42.6 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | R160 N161 D162 M167 E168 | R160-T164 WeakPolarHBondContact O-CB 3.34Å; R160-T164 PolarHBondContact O-N 3.05Å; R160-T164 PolarHBondContact O-OG1 3.32Å; N161-T164 PolarHBondContact O-N 3.26Å; D162-T164 PolarHBondContact O-N 3.18Å; T164-M167 PolarHBondContact O-N 3.01Å; T164-E168 PolarHBondContact O-N 3.06Å |
| 165 | N | 98 | Very high | 98.1 | Very high | 50 Ų | 50 | 46.6 Ų | 46.6 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 175.6 | 177.3 | 74.9 | 0 | 0 | 0 | 111.7 | N161 D162 I163 M167 E168 I169 | N161-N165 WeakPolarHBondContact O-CB 3.37Å; N161-N165 PolarHBondContact O-N 3.15Å; D162-N165 PolarHBondContact O-N 2.87Å; I163-N165 VanDerWaalsContact C-N 3.31Å; I163-N165 PolarHBondContact O-N 2.96Å; N165-M167 VanDerWaalsContact C-N 3.3Å; N165-M167 PolarHBondContact O-N 3.26Å; N165-E168 PolarHBondContact O-N 3.44Å; N165-E168 VanDerWaalsContact O-N 3.17Å; N165-I169 WeakPolarHBondContact ND2-CD1 3.44Å; N165-I169 WeakPolarHBondContact O-CG1 3.45Å; N165-I169 PolarHBondContact O-N 2.98Å |
| 166 | A | 98.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -39.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D162 I163 I169 V170 C192 L193 | D162-A166 WeakPolarHBondContact O-CB 3.45Å; D162-A166 PolarHBondContact O-N 2.8Å; I163-A166 PolarHBondContact O-N 2.95Å; A166-I169 PolarHBondContact O-N 3.38Å; A166-V170 WeakPolarHBondContact O-CG2 3.37Å; A166-V170 PolarHBondContact O-N 3.34Å; A166-C192 HydrophobicContact CB-CB 3.87Å; A166-L193 HydrophobicContact CB-CD2 3.82Å; A166-L193 HydrophobicContact CB-CG 4.31Å |
| 167 | M | 98.1 | Very high | 98.1 | Very high | 84 Ų | 84 | 54 Ų | 54 | 41% | 0.414 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 174.1 | -68.4 | -64.2 | 162.6 | 0 | 0 | 112 | I163 T164 N165 V170 R171 L189 | I163-M167 HydrophobicContact CG2-CE 4.22Å; I163-M167 HydrophobicContact CG2-CG 4.41Å; I163-M167 VanDerWaalsContact O-CG 3.27Å; I163-M167 WeakPolarHBondContact O-CG 3.01Å; I163-M167 PolarHBondContact O-N 3.25Å; T164-M167 PolarHBondContact O-N 3.01Å; N165-M167 VanDerWaalsContact C-N 3.3Å; N165-M167 PolarHBondContact O-N 3.26Å; M167-V170 PolarHBondContact O-N 2.91Å; M167-R171 VanDerWaalsContact O-CB 3.31Å; M167-R171 WeakPolarHBondContact O-CB 3.36Å; M167-R171 PolarHBondContact O-N 3.36Å; M167-L189 HydrophobicContact CE-CD1 3.42Å; M167-L189 VanDerWaalsContact CE-CD1 3.42Å; M167-L189 HydrophobicContact CE-CD2 3.42Å; M167-L189 VanDerWaalsContact CE-CD2 3.42Å; M167-L189 HydrophobicContact CE-CG 4.03Å; M167-L189 HydrophobicContact SD-CD1 4.45Å; M167-L189 HydrophobicContact SD-CD2 3.64Å |
| 168 | E | 98.2 | Very high | 98.1 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 176.8 | -178.3 | 59.2 | -168.2 | 0 | 0 | 111.9 | T164 N165 V170 R171 L172 | T164-E168 PolarHBondContact O-N 3.06Å; N165-E168 PolarHBondContact O-N 3.44Å; N165-E168 VanDerWaalsContact O-N 3.17Å; E168-V170 PolarHBondContact O-N 3.43Å; E168-R171 PolarHBondContact O-N 2.76Å; E168-R171 IonicContact OE1-CZ 3.69Å; E168-R171 IonicContact OE1-NE 2.83Å; E168-R171 PolarHBondContact OE1-NE 3.13Å; E168-R171 IonicContact OE1-NH2 3.7Å; E168-R171 PolarHBondContact OE1-NH2 2.71Å; E168-R171 IonicContact OE2-CZ 3.66Å; E168-R171 IonicContact OE2-NE 3.69Å; E168-R171 PolarHBondContact OE2-NE 2.89Å; E168-R171 IonicContact OE2-NH2 3.5Å; E168-L172 HydrophobicContact CG-CD1 4.27Å; E168-L172 WeakPolarHBondContact O-CB 3.5Å; E168-L172 WeakPolarHBondContact O-CG 3.28Å; E168-L172 PolarHBondContact O-N 2.95Å |
| 169 | I | 98.2 | Very high | 98.1 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.2 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.1 | -49.3 | 172.6 | -72.9 | 168.1 | 0 | 0 | 0 | 110.8 | N165 A166 L172 G173 C192 F294 L298 | N165-I169 WeakPolarHBondContact ND2-CD1 3.44Å; N165-I169 WeakPolarHBondContact O-CG1 3.45Å; N165-I169 PolarHBondContact O-N 2.98Å; A166-I169 PolarHBondContact O-N 3.38Å; I169-L172 PolarHBondContact O-N 2.91Å; I169-G173 PolarHBondContact O-N 2.88Å; I169-C192 HydrophobicContact CG2-CB 4.21Å; I169-F294 HydrophobicContact CG2-CE1 4.42Å; I169-F294 HydrophobicContact CG2-CZ 3.84Å; I169-L298 HydrophobicContact CG2-CD1 3.61Å; I169-L298 HydrophobicContact CG2-CD2 3.64Å; I169-L298 HydrophobicContact CG2-CG 4.29Å |
| 170 | V | 98.1 | Very high | 98 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 177.5 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | A166 M167 E168 L172 G173 V174 I179 I184 L188 L189 C192 | A166-V170 WeakPolarHBondContact O-CG2 3.37Å; A166-V170 PolarHBondContact O-N 3.34Å; M167-V170 PolarHBondContact O-N 2.91Å; E168-V170 PolarHBondContact O-N 3.43Å; V170-L172 VanDerWaalsContact C-N 3.31Å; V170-L172 PolarHBondContact O-N 3.11Å; V170-G173 PolarHBondContact O-N 2.92Å; V170-V174 WeakPolarHBondContact O-CG2 3.46Å; V170-V174 PolarHBondContact O-N 3.05Å; V170-I179 HydrophobicContact CG1-CD1 4.08Å; V170-I184 HydrophobicContact CG1-CD1 3.6Å; V170-I184 HydrophobicContact CG1-CG1 3.6Å; V170-I184 HydrophobicContact CG1-CG2 4.25Å; V170-L188 HydrophobicContact CG2-CD2 4.41Å; V170-L188 HydrophobicContact CG2-CG 4.43Å; V170-L189 HydrophobicContact CG2-CD2 3.95Å; V170-C192 HydrophobicContact CG2-CB 4.43Å |
| 171 | R | 98.1 | Very high | 98 | Very high | 110 Ų | 110 | 57.4 Ų | 57.4 | 42% | 0.415 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 178.8 | -167.4 | -159.6 | 64.8 | 64.5 | 0.5 | 111.5 | M167 E168 K175 | M167-R171 VanDerWaalsContact O-CB 3.31Å; M167-R171 WeakPolarHBondContact O-CB 3.36Å; M167-R171 PolarHBondContact O-N 3.36Å; E168-R171 PolarHBondContact O-N 2.76Å; E168-R171 IonicContact OE1-CZ 3.69Å; E168-R171 IonicContact OE1-NE 2.83Å; E168-R171 PolarHBondContact OE1-NE 3.13Å; E168-R171 IonicContact OE1-NH2 3.7Å; E168-R171 PolarHBondContact OE1-NH2 2.71Å; E168-R171 IonicContact OE2-CZ 3.66Å; E168-R171 IonicContact OE2-NE 3.69Å; E168-R171 PolarHBondContact OE2-NE 2.89Å; E168-R171 IonicContact OE2-NH2 3.5Å; R171-K175 WeakPolarHBondContact O-CB 3.41Å; R171-K175 PolarHBondContact O-N 3.11Å |
| 172 | L | 98.3 | Very high | 97.8 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.3 | -43.6 | 175.3 | -72.6 | 171 | 0 | 0 | 0 | 111.7 | E168 I169 V170 V174 K175 E176 | E168-L172 HydrophobicContact CG-CD1 4.27Å; E168-L172 WeakPolarHBondContact O-CB 3.5Å; E168-L172 WeakPolarHBondContact O-CG 3.28Å; E168-L172 PolarHBondContact O-N 2.95Å; I169-L172 PolarHBondContact O-N 2.91Å; V170-L172 VanDerWaalsContact C-N 3.31Å; V170-L172 PolarHBondContact O-N 3.11Å; L172-V174 VanDerWaalsContact C-N 3.29Å; L172-V174 PolarHBondContact O-N 2.97Å; L172-K175 PolarHBondContact O-N 2.78Å; L172-K175 VanDerWaalsContact O-N 3.15Å; L172-E176 WeakPolarHBondContact O-CB 3.33Å; L172-E176 WeakPolarHBondContact O-CG 3.35Å; L172-E176 PolarHBondContact O-N 3.35Å |
| 173 | G | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I169 V170 G177 K178 I179 | I169-G173 PolarHBondContact O-N 2.88Å; V170-G173 PolarHBondContact O-N 2.92Å; G173-G177 PolarHBondContact O-N 3.42Å; G173-K178 PolarHBondContact O-N 2.81Å; G173-I179 VanDerWaalsContact C-CG1 3.47Å; G173-I179 PolarHBondContact O-N 2.88Å |
| 174 | V | 98.4 | Very high | 97.6 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.4 | -47.5 | 174 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | V170 L172 E176 G177 I179 P181 I184 | V170-V174 WeakPolarHBondContact O-CG2 3.46Å; V170-V174 PolarHBondContact O-N 3.05Å; L172-V174 VanDerWaalsContact C-N 3.29Å; L172-V174 PolarHBondContact O-N 2.97Å; V174-E176 PolarHBondContact O-N 3.08Å; V174-G177 PolarHBondContact O-N 3.34Å; V174-I179 WeakPolarHBondContact CA-O 3.26Å; V174-I179 HydrophobicContact CG2-CD1 3.97Å; V174-I179 HydrophobicContact CG2-CG1 3.83Å; V174-P181 HydrophobicContact CG1-CG 4.08Å; V174-I184 HydrophobicContact CG2-CD1 4.2Å |
| 175 | K | 98.2 | Very high | 97.4 | Very high | 160 Ų | 160 | 58.4 Ų | 58.4 | 70% | 0.696 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.1 | -37.1 | 179.7 | -178.8 | -177.6 | 174.4 | -172.9 | 0 | 112.2 | R171 L172 G177 | R171-K175 WeakPolarHBondContact O-CB 3.41Å; R171-K175 PolarHBondContact O-N 3.11Å; L172-K175 PolarHBondContact O-N 2.78Å; L172-K175 VanDerWaalsContact O-N 3.15Å; K175-G177 VanDerWaalsContact C-N 3.3Å |
| 176 | E | 97.6 | Very high | 97.2 | Very high | 97 Ų | 97 | 64 Ų | 64 | 45% | 0.453 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 1.4 | 180 | -66.4 | 174.1 | -170.4 | 0 | 0 | 113.3 | L172 V174 K178 | L172-E176 WeakPolarHBondContact O-CB 3.33Å; L172-E176 WeakPolarHBondContact O-CG 3.35Å; L172-E176 PolarHBondContact O-N 3.35Å; V174-E176 PolarHBondContact O-N 3.08Å; E176-K178 VanDerWaalsContact C-N 3.26Å; E176-K178 HydrophobicContact CB-CG 4.22Å; E176-K178 PolarHBondContact O-N 2.91Å; E176-K178 WeakPolarHBondContact OE2-CE 3.25Å; E176-K178 IonicContact OE2-NZ 3.45Å |
| 177 | G | 97.4 | Very high | 97 | Very high | 62 Ų | 62 | 69.7 Ų | 69.7 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 18 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G173 V174 K175 | G173-G177 PolarHBondContact O-N 3.42Å; V174-G177 PolarHBondContact O-N 3.34Å; K175-G177 VanDerWaalsContact C-N 3.3Å |
| 178 | K | 97.8 | Very high | 96.9 | Very high | 68 Ų | 68 | 66 Ų | 66 | 30% | 0.296 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -76.2 | -32.1 | 176.8 | -60 | -174.2 | -169.2 | -66.1 | 0 | 112.1 | G173 E176 F294 Y297 | G173-K178 PolarHBondContact O-N 2.81Å; E176-K178 VanDerWaalsContact C-N 3.26Å; E176-K178 HydrophobicContact CB-CG 4.22Å; E176-K178 PolarHBondContact O-N 2.91Å; E176-K178 WeakPolarHBondContact OE2-CE 3.25Å; E176-K178 IonicContact OE2-NZ 3.45Å; K178-F294 HydrophobicContact CB-CD2 3.75Å; K178-F294 HydrophobicContact CB-CE2 4.44Å; K178-F294 HydrophobicContact CB-CG 4.49Å; K178-F294 HydrophobicContact CD-CD2 3.99Å; K178-F294 HydrophobicContact CD-CE2 4.37Å; K178-Y297 HydrophobicContact CD-CD1 3.53Å; K178-Y297 HydrophobicContact CD-CD2 4.41Å; K178-Y297 HydrophobicContact CD-CE1 3.74Å; K178-Y297 HydrophobicContact CD-CG 3.9Å; K178-Y297 VanDerWaalsContact CE-CE1 3.42Å; K178-Y297 VanDerWaalsContact CE-CZ 3.47Å |
| 179 | I | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -134.3 | 163.8 | 173.7 | 53.9 | 170.3 | 0 | 0 | 0 | 109.1 | V170 G173 V174 D183 L188 I291 F294 | V170-I179 HydrophobicContact CG1-CD1 4.08Å; G173-I179 VanDerWaalsContact C-CG1 3.47Å; G173-I179 PolarHBondContact O-N 2.88Å; V174-I179 WeakPolarHBondContact CA-O 3.26Å; V174-I179 HydrophobicContact CG2-CD1 3.97Å; V174-I179 HydrophobicContact CG2-CG1 3.83Å; I179-D183 HydrophobicContact CB-CB 4.19Å; I179-L188 HydrophobicContact CD1-CD2 3.86Å; I179-I291 HydrophobicContact CG2-CD1 4.18Å; I179-F294 HydrophobicContact CD1-CD1 4.2Å; I179-F294 HydrophobicContact CD1-CE1 3.89Å; I179-F294 HydrophobicContact CD1-CZ 4.2Å; I179-F294 HydrophobicContact CG2-CB 3.61Å; I179-F294 HydrophobicContact CG2-CD1 3.7Å; I179-F294 HydrophobicContact CG2-CD2 4.34Å; I179-F294 HydrophobicContact CG2-CE1 4.44Å; I179-F294 HydrophobicContact CG2-CG 3.62Å |
| 180 | I | 97.4 | Very high | 96.7 | Very high | 67 Ų | 67 | 62 Ų | 62 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | trans | -110.8 | 160.4 | 174.8 | 61 | 171.2 | 0 | 0 | 0 | 111 | S182 D183 | I180-S182 WeakPolarHBondContact CD1-OG 3.27Å; I180-S182 WeakPolarHBondContact CG1-OG 3.43Å; I180-S182 PolarHBondContact O-N 2.89Å; I180-S182 VanDerWaalsContact O-N 3.11Å; I180-D183 HydrophobicContact CG1-CB 4.42Å; I180-D183 VanDerWaalsContact CG1-CG 3.5Å; I180-D183 VanDerWaalsContact CG1-OD2 3.29Å; I180-D183 WeakPolarHBondContact CG1-OD2 3.39Å; I180-D183 PolarHBondContact N-OD2 2.84Å; I180-D183 VanDerWaalsContact O-CB 3.23Å; I180-D183 WeakPolarHBondContact O-CB 3.44Å; I180-D183 PolarHBondContact O-N 2.81Å | ||
| 181 | P | 96.7 | Very high | 96.6 | Very high | 92 Ų | 92 | 66.9 Ų | 66.9 | 60% | 0.597 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -54.3 | -32.9 | -178.5 | -29.6 | 36.4 | 0 | 0 | 0 | 115.1 | V174 D183 I184 | V174-P181 HydrophobicContact CG1-CG 4.08Å; P181-D183 PolarHBondContact O-N 2.81Å; P181-I184 WeakPolarHBondContact O-CB 3.44Å; P181-I184 WeakPolarHBondContact O-CG1 3.48Å; P181-I184 PolarHBondContact O-N 2.89Å |
| 182 | S | 95.2 | Very high | 96.6 | Very high | 81 Ų | 81 | 61.8 Ų | 61.8 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -74 | -10.9 | 176.5 | 56 | 0 | 0 | 0 | 0 | 114.1 | I180 I184 | I180-S182 WeakPolarHBondContact CD1-OG 3.27Å; I180-S182 WeakPolarHBondContact CG1-OG 3.43Å; I180-S182 PolarHBondContact O-N 2.89Å; I180-S182 VanDerWaalsContact O-N 3.11Å; S182-I184 VanDerWaalsContact C-N 3.25Å |
| 183 | D | 95.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -78.6 | -12.5 | 172.3 | -64.2 | -27.1 | 0 | 0 | 0 | 112 | I179 I180 P181 T185 L188 H287 R290 I291 | I179-D183 HydrophobicContact CB-CB 4.19Å; I180-D183 HydrophobicContact CG1-CB 4.42Å; I180-D183 VanDerWaalsContact CG1-CG 3.5Å; I180-D183 VanDerWaalsContact CG1-OD2 3.29Å; I180-D183 WeakPolarHBondContact CG1-OD2 3.39Å; I180-D183 PolarHBondContact N-OD2 2.84Å; I180-D183 VanDerWaalsContact O-CB 3.23Å; I180-D183 WeakPolarHBondContact O-CB 3.44Å; I180-D183 PolarHBondContact O-N 2.81Å; P181-D183 PolarHBondContact O-N 2.81Å; D183-T185 PolarHBondContact O-N 2.77Å; D183-T185 VanDerWaalsContact O-N 3.09Å; D183-L188 VanDerWaalsContact O-CD2 3.29Å; D183-L188 WeakPolarHBondContact O-CD2 3.3Å; D183-H287 IonicContact OD1-CE1 3.13Å; D183-H287 IonicContact OD1-CG 2.71Å; D183-H287 IonicContact OD1-ND1 2.89Å; D183-H287 PolarHBondContact OD1-ND1 3.42Å; D183-R290 IonicContact OD1-CZ 3.69Å; D183-R290 IonicContact OD1-NE 3.53Å; D183-R290 PolarHBondContact OD1-NE 3.44Å; D183-R290 IonicContact OD1-NH2 3.86Å; D183-R290 PolarHBondContact OD1-NH2 2.85Å; D183-R290 IonicContact OD2-CZ 2.72Å; D183-R290 IonicContact OD2-NE 3.76Å; D183-R290 PolarHBondContact OD2-NE 2.82Å; D183-R290 IonicContact OD2-NH2 2.87Å; D183-I291 HydrophobicContact CB-CD1 3.75Å |
| 184 | I | 95.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 61.1 Ų | 61.1 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | trans | -73.9 | 103.1 | -178.5 | -54.2 | 176.6 | 0 | 0 | 0 | 109.4 | V170 V174 P181 S182 | V170-I184 HydrophobicContact CG1-CD1 3.6Å; V170-I184 HydrophobicContact CG1-CG1 3.6Å; V170-I184 HydrophobicContact CG1-CG2 4.25Å; V174-I184 HydrophobicContact CG2-CD1 4.2Å; P181-I184 WeakPolarHBondContact O-CB 3.44Å; P181-I184 WeakPolarHBondContact O-CG1 3.48Å; P181-I184 PolarHBondContact O-N 2.89Å; S182-I184 VanDerWaalsContact C-N 3.25Å | ||
| 185 | T | 94.7 | Very high | 96.4 | Very high | 46 Ų | 46 | 59.6 Ų | 59.6 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | trans | -125 | 171.9 | 174.4 | 79.3 | 0 | 0 | 0 | 0 | 111 | D183 E187 L188 L189 | D183-T185 PolarHBondContact O-N 2.77Å; D183-T185 VanDerWaalsContact O-N 3.09Å; T185-E187 WeakPolarHBondContact CB-OE2 3.35Å; T185-E187 PolarHBondContact O-N 3.11Å; T185-E187 PolarHBondContact OG1-N 3.31Å; T185-E187 PolarHBondContact OG1-OE2 3.07Å; T185-L188 PolarHBondContact O-N 2.66Å; T185-L188 PolarHBondContact OG1-N 2.82Å; T185-L189 WeakPolarHBondContact O-CG 3.35Å; T185-L189 PolarHBondContact O-N 3.2Å | ||
| 186 | R | 92.7 | Very high | 96.3 | Very high | 169 Ų | 169 | 53.9 Ų | 53.9 | 64% | 0.638 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.7 | -41.7 | 171.7 | -173 | -169.7 | -45 | -164.8 | 4.5 | 111 | L189 S190 W219 | R186-L189 WeakPolarHBondContact O-CB 3.44Å; R186-L189 PolarHBondContact O-N 3.18Å; R186-S190 PolarHBondContact O-N 3.34Å; R186-S190 PolarHBondContact O-OG 3.09Å; R186-W219 HydrophobicContact CG-CH2 4.14Å; R186-W219 HydrophobicContact CG-CZ2 3.77Å |
| 187 | E | 93.8 | Very high | 96.1 | Very high | 120 Ų | 120 | 53.6 Ų | 53.6 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | -179.4 | -59.3 | 67.6 | -146.2 | 0 | 0 | 110.9 | T185 L189 S190 K191 | T185-E187 WeakPolarHBondContact CB-OE2 3.35Å; T185-E187 PolarHBondContact O-N 3.11Å; T185-E187 PolarHBondContact OG1-N 3.31Å; T185-E187 PolarHBondContact OG1-OE2 3.07Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 3.3Å; E187-S190 PolarHBondContact O-N 2.96Å; E187-K191 WeakPolarHBondContact O-CG 3.4Å; E187-K191 PolarHBondContact O-N 3.11Å |
| 188 | L | 96.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 174.3 | 178.6 | 57.4 | 0 | 0 | 0 | 111.3 | V170 I179 D183 T185 K191 C192 I291 F294 L295 | V170-L188 HydrophobicContact CG2-CD2 4.41Å; V170-L188 HydrophobicContact CG2-CG 4.43Å; I179-L188 HydrophobicContact CD1-CD2 3.86Å; D183-L188 VanDerWaalsContact O-CD2 3.29Å; D183-L188 WeakPolarHBondContact O-CD2 3.3Å; T185-L188 PolarHBondContact O-N 2.66Å; T185-L188 PolarHBondContact OG1-N 2.82Å; L188-K191 CarbonylContact O-C 3.51Å; L188-K191 WeakPolarHBondContact O-CA 3.49Å; L188-K191 WeakPolarHBondContact O-CB 3.32Å; L188-K191 PolarHBondContact O-N 3.5Å; L188-K191 VanDerWaalsContact O-N 3.09Å; L188-C192 PolarHBondContact O-N 3.21Å; L188-C192 PolarHBondContact O-SG 3.06Å; L188-I291 HydrophobicContact CD1-CD1 3.95Å; L188-I291 HydrophobicContact CD1-CG2 4.46Å; L188-I291 HydrophobicContact CD2-CD1 3.83Å; L188-I291 HydrophobicContact CG-CD1 4.34Å; L188-F294 HydrophobicContact CD1-CD1 4.12Å; L188-F294 HydrophobicContact CD1-CE1 4.27Å; L188-L295 HydrophobicContact CD1-CD2 4.3Å |
| 189 | L | 96.7 | Very high | 96 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 177 | -72.1 | 170.6 | 0 | 0 | 0 | 111.8 | M167 V170 T185 R186 E187 K191 C192 L193 W219 | M167-L189 HydrophobicContact CE-CD1 3.42Å; M167-L189 VanDerWaalsContact CE-CD1 3.42Å; M167-L189 HydrophobicContact CE-CD2 3.42Å; M167-L189 VanDerWaalsContact CE-CD2 3.42Å; M167-L189 HydrophobicContact CE-CG 4.03Å; M167-L189 HydrophobicContact SD-CD1 4.45Å; M167-L189 HydrophobicContact SD-CD2 3.64Å; V170-L189 HydrophobicContact CG2-CD2 3.95Å; T185-L189 WeakPolarHBondContact O-CG 3.35Å; T185-L189 PolarHBondContact O-N 3.2Å; R186-L189 WeakPolarHBondContact O-CB 3.44Å; R186-L189 PolarHBondContact O-N 3.18Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 3.3Å; L189-K191 PolarHBondContact O-N 3.37Å; L189-C192 WeakPolarHBondContact O-CA 3.37Å; L189-C192 PolarHBondContact O-N 2.83Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 3.21Å; L189-L193 VanDerWaalsContact O-N 3.11Å; L189-W219 HydrophobicContact CB-CH2 4.09Å; L189-W219 HydrophobicContact CB-CZ2 4.15Å; L189-W219 HydrophobicContact CD1-CH2 4.19Å |
| 190 | S | 96.3 | Very high | 95.9 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.5 | -32.4 | 174.2 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | R186 E187 C192 W219 E223 | R186-S190 PolarHBondContact O-N 3.34Å; R186-S190 PolarHBondContact O-OG 3.09Å; E187-S190 PolarHBondContact O-N 2.96Å; S190-C192 VanDerWaalsContact C-N 3.35Å; S190-W219 PolarHBondContact OG-NE1 2.77Å; S190-E223 WeakPolarHBondContact CB-OE1 3.37Å; S190-E223 PolarHBondContact OG-OE1 3.08Å |
| 191 | K | 96.7 | Very high | 96 | Very high | 106 Ų | 106 | 52.5 Ų | 52.5 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -79.7 | -10 | 174 | -65.2 | -63.1 | 178.8 | -171.2 | 0 | 114.8 | E187 L188 L189 R196 L295 | E187-K191 WeakPolarHBondContact O-CG 3.4Å; E187-K191 PolarHBondContact O-N 3.11Å; L188-K191 CarbonylContact O-C 3.51Å; L188-K191 WeakPolarHBondContact O-CA 3.49Å; L188-K191 WeakPolarHBondContact O-CB 3.32Å; L188-K191 PolarHBondContact O-N 3.5Å; L188-K191 VanDerWaalsContact O-N 3.09Å; L189-K191 PolarHBondContact O-N 3.37Å; K191-R196 WeakPolarHBondContact O-CB 3.37Å; K191-R196 WeakPolarHBondContact O-CD 3.27Å; K191-L295 HydrophobicContact CB-CD1 4.12Å; K191-L295 HydrophobicContact CB-CD2 3.74Å; K191-L295 HydrophobicContact CG-CD1 4.23Å |
| 192 | C | 97.8 | Very high | 96 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -100.3 | -13.5 | 174.4 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | A166 I169 V170 L188 L189 S190 | A166-C192 HydrophobicContact CB-CB 3.87Å; I169-C192 HydrophobicContact CG2-CB 4.21Å; V170-C192 HydrophobicContact CG2-CB 4.43Å; L188-C192 PolarHBondContact O-N 3.21Å; L188-C192 PolarHBondContact O-SG 3.06Å; L189-C192 WeakPolarHBondContact O-CA 3.37Å; L189-C192 PolarHBondContact O-N 2.83Å; S190-C192 VanDerWaalsContact C-N 3.35Å |
| 193 | L | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -65.9 | 159 | 172.9 | -65.1 | 169.1 | 0 | 0 | 0 | 111.4 | D162 I163 A166 L189 T195 R196 W219 | D162-L193 HydrophobicContact CB-CD2 4.3Å; D162-L193 WeakPolarHBondContact OD1-CA 3.33Å; D162-L193 WeakPolarHBondContact OD1-CD2 3.45Å; I163-L193 HydrophobicContact CG1-CD2 4.1Å; A166-L193 HydrophobicContact CB-CD2 3.82Å; A166-L193 HydrophobicContact CB-CG 4.31Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 3.21Å; L189-L193 VanDerWaalsContact O-N 3.11Å; L193-T195 PolarHBondContact O-N 3.27Å; L193-T195 VanDerWaalsContact O-N 3.16Å; L193-R196 WeakPolarHBondContact O-CB 3.48Å; L193-R196 PolarHBondContact O-N 3.45Å; L193-R196 VanDerWaalsContact O-N 3.12Å; L193-W219 HydrophobicContact CD1-CB 4.09Å; L193-W219 HydrophobicContact CD1-CD2 3.85Å; L193-W219 HydrophobicContact CD1-CG 3.45Å; L193-W219 VanDerWaalsContact CD1-CG 3.45Å |
| 194 | Y | 97.1 | Very high | 96.3 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.4 | 177.3 | -66.4 | -60.3 | 0 | 0 | 0 | 113.1 | I122 G123 Y157 D162 R196 | I122-Y194 HydrophobicContact CG2-CD2 4.32Å; I122-Y194 HydrophobicContact CG2-CG 4.05Å; G123-Y194 WeakPolarHBondContact O-CE1 3.41Å; Y157-Y194 HydrophobicContact CD2-CD2 4.16Å; Y157-Y194 HydrophobicContact CE2-CD2 4.05Å; D162-Y194 HydrophobicContact CB-CD2 3.98Å; D162-Y194 HydrophobicContact CB-CE2 4.28Å; D162-Y194 VanDerWaalsContact CG-CD2 3.49Å; D162-Y194 WeakPolarHBondContact OD1-CD2 3.41Å; D162-Y194 PolarHBondContact OD1-N 3.2Å; Y194-R196 VanDerWaalsContact C-N 3.27Å; Y194-R196 PolarHBondContact O-N 3.2Å |
| 195 | T | 96.1 | Very high | 96.5 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 17.5 | 180 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | I122 L193 L197 S198 L217 Q220 | I122-T195 HydrophobicContact CD1-CG2 4.22Å; L193-T195 PolarHBondContact O-N 3.27Å; L193-T195 VanDerWaalsContact O-N 3.16Å; T195-L197 PolarHBondContact O-N 3.5Å; T195-S198 VanDerWaalsContact O-CB 3.25Å; T195-S198 WeakPolarHBondContact O-CB 3.1Å; T195-S198 PolarHBondContact O-N 3.29Å; T195-L217 HydrophobicContact CG2-CD2 3.85Å; T195-Q220 HydrophobicContact CG2-CG 4.43Å; T195-Q220 WeakPolarHBondContact OG1-CG 3.45Å; T195-Q220 PolarHBondContact OG1-NE2 2.77Å |
| 196 | R | 94.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25.6 | -174.8 | 68.7 | -179.6 | -175 | -77.5 | 0.8 | 115.4 | K191 L193 Y194 D299 | K191-R196 WeakPolarHBondContact O-CB 3.37Å; K191-R196 WeakPolarHBondContact O-CD 3.27Å; L193-R196 WeakPolarHBondContact O-CB 3.48Å; L193-R196 PolarHBondContact O-N 3.45Å; L193-R196 VanDerWaalsContact O-N 3.12Å; Y194-R196 VanDerWaalsContact C-N 3.27Å; Y194-R196 PolarHBondContact O-N 3.2Å; R196-D299 IonicContact CZ-OD1 2.62Å; R196-D299 VanDerWaalsContact CZ-OD1 3.27Å; R196-D299 IonicContact NE-OD1 2.67Å; R196-D299 PolarHBondContact NE-OD1 3.4Å; R196-D299 IonicContact NH2-OD1 3.58Å; R196-D299 PolarHBondContact NH2-OD1 2.91Å |
| 197 | L | 93.5 | Very high | 96.9 | Very high | 91 Ų | 91 | 32.2 Ų | 32.2 | 48% | 0.476 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 1.1 | 179.3 | -56.9 | -176.9 | 0 | 0 | 0 | 113.2 | R120 T195 | R120-L197 PolarHBondContact NH1-O 3.33Å; T195-L197 PolarHBondContact O-N 3.5Å |
| 198 | S | 96.9 | Very high | 97.1 | Very high | 24 Ų | 24 | 26.9 Ų | 26.9 | 17% | 0.168 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -83 | 149.5 | -179.7 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | E73 R120 N152 T195 | E73-S198 VanDerWaalsContact OE1-CA 3.25Å; E73-S198 WeakPolarHBondContact OE1-CA 2.76Å; E73-S198 WeakPolarHBondContact OE1-CB 3.27Å; E73-S198 PolarHBondContact OE1-OG 3.07Å; E73-S198 WeakPolarHBondContact OE2-CA 3.48Å; R120-S198 PolarHBondContact NH1-OG 3.44Å; N152-S198 PolarHBondContact ND2-OG 2.73Å; T195-S198 VanDerWaalsContact O-CB 3.25Å; T195-S198 WeakPolarHBondContact O-CB 3.1Å; T195-S198 PolarHBondContact O-N 3.29Å |
| 199 | K | 96.4 | Very high | 97.1 | Very high | 77 Ų | 77 | 28.3 Ų | 28.3 | 34% | 0.335 | 15% | 0.152 | S | C | . | . | trans | -63.7 | 154.2 | 164.7 | -67.3 | 168.1 | -172.4 | -85.1 | 0 | 109.9 | K28 H29 E72 E73 L201 | K28-K199 HydrophobicContact CB-CD 4.24Å; H29-K199 HydrophobicContact CB-CB 4.17Å; H29-K199 PolarHBondContact ND1-O 3.06Å; E72-K199 HydrophobicContact CB-CD 4.24Å; E72-K199 WeakPolarHBondContact OE2-CE 3.4Å; E72-K199 IonicContact OE2-NZ 2.74Å; E72-K199 PolarHBondContact OE2-NZ 3.47Å; E73-K199 HydrophobicContact CB-CD 4.35Å; E73-K199 PolarHBondContact OE2-N 3.32Å; K199-L201 PolarHBondContact O-N 3.24Å | ||
| 200 | P | 96.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 30 Ų | 30 | 48% | 0.481 | 16% | 0.159 | S | C | . | . | trans | -44.1 | 133.2 | 166.6 | -33.3 | 40.1 | 0 | 0 | 0 | 111.7 | H29 D202 N224 | H29-P200 WeakPolarHBondContact CB-O 3.44Å; P200-D202 PolarHBondContact O-N 3.29Å; P200-N224 HydrophobicContact CB-CB 4.13Å; P200-N224 VanDerWaalsContact CB-OD1 3.29Å; P200-N224 WeakPolarHBondContact CB-OD1 3.22Å | ||
| 201 | L | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -75.4 | 114.8 | 178.6 | 178.3 | 62.6 | 0 | 0 | 0 | 110 | A31 K199 L217 Q220 V221 N224 T226 | A31-L201 HydrophobicContact CB-CD1 3.53Å; A31-L201 HydrophobicContact CB-CD2 4.18Å; K199-L201 PolarHBondContact O-N 3.24Å; L201-L217 HydrophobicContact CD2-CB 4.2Å; L201-L217 HydrophobicContact CD2-CD1 4.06Å; L201-Q220 HydrophobicContact CB-CB 4.25Å; L201-V221 HydrophobicContact CD2-CG2 3.64Å; L201-N224 PolarHBondContact N-ND2 2.86Å; L201-N224 WeakPolarHBondContact O-CB 3.39Å; L201-T226 HydrophobicContact CD2-CG2 3.95Å; L201-T226 HydrophobicContact CG-CG2 3.79Å; L201-T226 PolarHBondContact O-OG1 3.14Å | ||
| 202 | D | 97.7 | Very high | 97.1 | Very high | 33 Ų | 33 | 36.2 Ų | 36.2 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | trans | -90.2 | -41.7 | -175.8 | -62.3 | -52.1 | 0 | 0 | 0 | 112.2 | P27 K28 H29 P200 I227 Y250 | P27-D202 HydrophobicContact CB-CB 3.67Å; K28-D202 WeakPolarHBondContact CA-OD2 3.47Å; K28-D202 WeakPolarHBondContact CB-OD2 3.47Å; K28-D202 PolarHBondContact N-OD2 3.35Å; H29-D202 PolarHBondContact N-OD2 3.24Å; H29-D202 PolarHBondContact O-N 2.97Å; P200-D202 PolarHBondContact O-N 3.29Å; D202-I227 PolarHBondContact O-N 2.96Å; D202-Y250 HydrophobicContact CB-CE2 3.74Å | ||
| 203 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 128.2 | -173.1 | 177.9 | 62.4 | 0 | 0 | 0 | 111.3 | P27 H29 V30 A31 I205 I227 K229 I247 Y250 | P27-L203 HydrophobicContact CB-CB 4.13Å; P27-L203 HydrophobicContact CG-CB 4.48Å; P27-L203 HydrophobicContact CG-CD2 4.23Å; H29-L203 PolarHBondContact O-N 3.32Å; V30-L203 CarbonylContact C-O 3.59Å; V30-L203 VanDerWaalsContact CA-O 3.3Å; V30-L203 WeakPolarHBondContact CA-O 3.42Å; V30-L203 HydrophobicContact CG1-CB 4.37Å; V30-L203 HydrophobicContact CG1-CD2 4.26Å; V30-L203 HydrophobicContact CG1-CG 4.29Å; V30-L203 HydrophobicContact CG2-CB 4.22Å; V30-L203 HydrophobicContact CG2-CD2 4.36Å; A31-L203 PolarHBondContact N-O 3.48Å; L203-I205 HydrophobicContact CD1-CG1 4.35Å; L203-I205 HydrophobicContact CD2-CD1 3.86Å; L203-I205 HydrophobicContact CD2-CG1 4.01Å; L203-I205 HydrophobicContact CG-CD1 4.29Å; L203-I205 HydrophobicContact CG-CG1 3.89Å; L203-I227 CarbonylContact C-O 3.45Å; L203-I227 WeakPolarHBondContact CA-O 3.36Å; L203-I227 HydrophobicContact CD1-CB 4.32Å; L203-I227 HydrophobicContact CD1-CG2 4.03Å; L203-I227 WeakPolarHBondContact CD1-O 3.13Å; L203-K229 HydrophobicContact CD1-CB 4.19Å; L203-I247 HydrophobicContact CD2-CD1 4.21Å; L203-Y250 HydrophobicContact CB-CD2 4.13Å |
| 204 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.2 | 169.8 | -173.8 | 154.3 | 0 | 0 | 0 | 109.8 | A31 I33 R206 L213 F216 V221 T226 I227 Y228 K229 | A31-L204 HydrophobicContact CB-CG 4.49Å; A31-L204 CarbonylContact O-C 3.39Å; A31-L204 WeakPolarHBondContact O-CA 3.28Å; I33-L204 HydrophobicContact CD1-CD2 3.96Å; I33-L204 HydrophobicContact CG1-CD2 4.33Å; L204-R206 HydrophobicContact CD2-CB 4.42Å; L204-L213 HydrophobicContact CD1-CD2 4.04Å; L204-L213 HydrophobicContact CD2-CD2 3.9Å; L204-F216 HydrophobicContact CD1-CD1 4.23Å; L204-V221 HydrophobicContact CD1-CG2 3.64Å; L204-T226 HydrophobicContact CB-CG2 4.03Å; L204-I227 PolarHBondContact N-O 3.1Å; L204-Y228 HydrophobicContact CB-CD1 4.28Å; L204-Y228 HydrophobicContact CD2-CD1 4.4Å; L204-Y228 CarbonylContact O-C 3.59Å; L204-Y228 WeakPolarHBondContact O-CA 3.42Å; L204-K229 PolarHBondContact O-N 3.09Å |
| 205 | I | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.2 | 177.9 | -55.8 | 174.3 | 0 | 0 | 0 | 109 | V30 A31 F32 I33 L203 K229 I231 F238 S246 | V30-I205 HydrophobicContact CG1-CD1 3.88Å; V30-I205 HydrophobicContact CG1-CG1 4.22Å; A31-I205 PolarHBondContact O-N 3.07Å; F32-I205 CarbonylContact C-O 3.55Å; F32-I205 WeakPolarHBondContact CA-O 3.32Å; F32-I205 HydrophobicContact CD1-CB 3.83Å; F32-I205 HydrophobicContact CD1-CD1 4.26Å; F32-I205 HydrophobicContact CD1-CG2 4.17Å; F32-I205 HydrophobicContact CE1-CB 3.99Å; F32-I205 HydrophobicContact CE1-CD1 3.51Å; F32-I205 HydrophobicContact CE1-CG1 4.25Å; F32-I205 HydrophobicContact CE1-CG2 4.25Å; F32-I205 HydrophobicContact CZ-CD1 3.92Å; I33-I205 PolarHBondContact N-O 2.92Å; L203-I205 HydrophobicContact CD1-CG1 4.35Å; L203-I205 HydrophobicContact CD2-CD1 3.86Å; L203-I205 HydrophobicContact CD2-CG1 4.01Å; L203-I205 HydrophobicContact CG-CD1 4.29Å; L203-I205 HydrophobicContact CG-CG1 3.89Å; I205-K229 CarbonylContact C-O 3.53Å; I205-K229 VanDerWaalsContact CA-O 3.3Å; I205-K229 WeakPolarHBondContact CA-O 3.48Å; I205-K229 HydrophobicContact CG1-CB 4.3Å; I205-I231 HydrophobicContact CG2-CG1 4.16Å; I205-F238 HydrophobicContact CG2-CE2 4.23Å; I205-F238 HydrophobicContact CG2-CZ 4.45Å; I205-S246 VanDerWaalsContact CD1-CB 3.49Å |
| 206 | R | 98.5 | Very high | 97 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.1 | 172.6 | 174.1 | 170.4 | -174 | 134.2 | 7.3 | 110.4 | I33 D35 L204 E210 R212 S214 K229 F230 I231 | I33-R206 HydrophobicContact CB-CB 3.95Å; I33-R206 HydrophobicContact CB-CG 3.94Å; I33-R206 HydrophobicContact CD1-CB 4.33Å; I33-R206 HydrophobicContact CD1-CG 4.49Å; I33-R206 HydrophobicContact CG2-CG 4.06Å; D35-R206 IonicContact OD2-CZ 3.44Å; D35-R206 IonicContact OD2-NE 2.77Å; D35-R206 IonicContact OD2-NH2 2.78Å; D35-R206 PolarHBondContact OD2-NH2 2.84Å; L204-R206 HydrophobicContact CD2-CB 4.42Å; R206-E210 WeakPolarHBondContact CD-O 3.29Å; R206-E210 VanDerWaalsContact NE-CB 3.26Å; R206-E210 PolarHBondContact NE-O 2.84Å; R206-R212 WeakPolarHBondContact CD-O 3.44Å; R206-R212 VanDerWaalsContact CZ-O 3.28Å; R206-R212 PolarHBondContact NE-O 3.4Å; R206-R212 PolarHBondContact NH1-O 2.91Å; R206-S214 PolarHBondContact NH1-OG 2.98Å; R206-S214 PolarHBondContact NH2-OG 3.24Å; R206-K229 PolarHBondContact N-O 3.05Å; R206-F230 HydrophobicContact CB-CD1 3.88Å; R206-F230 HydrophobicContact CB-CE1 4.15Å; R206-F230 HydrophobicContact CG-CD1 4.39Å; R206-F230 CarbonylContact O-C 3.59Å; R206-F230 WeakPolarHBondContact O-CA 3.36Å; R206-I231 PolarHBondContact O-N 3.14Å |
| 207 | T | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -87.3 | 178.6 | 174.7 | 49.8 | 0 | 0 | 0 | 0 | 112 | I33 D35 I231 N233 W235 F238 | I33-T207 PolarHBondContact O-N 3.07Å; I33-T207 PolarHBondContact O-OG1 3.25Å; D35-T207 PolarHBondContact N-OG1 3.14Å; D35-T207 VanDerWaalsContact N-OG1 3.08Å; D35-T207 PolarHBondContact O-OG1 3.45Å; T207-I231 CarbonylContact C-O 3.44Å; T207-I231 VanDerWaalsContact C-O 3.23Å; T207-I231 WeakPolarHBondContact CA-O 3.16Å; T207-I231 HydrophobicContact CG2-CB 4.34Å; T207-N233 VanDerWaalsContact CB-O 3.3Å; T207-N233 WeakPolarHBondContact CB-O 3.14Å; T207-W235 HydrophobicContact CG2-CE3 3.79Å; T207-W235 HydrophobicContact CG2-CZ3 4.46Å; T207-F238 HydrophobicContact CG2-CB 4.33Å; T207-F238 HydrophobicContact CG2-CD2 3.76Å; T207-F238 HydrophobicContact CG2-CE2 4.45Å; T207-F238 HydrophobicContact CG2-CG 4.3Å | ||
| 208 | S | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 11.2 | 171.4 | 84.3 | 0 | 0 | 0 | 0 | 118.2 | D35 R39 E210 I231 N232 N233 | D35-S208 WeakPolarHBondContact CB-OG 3.25Å; D35-S208 VanDerWaalsContact CG-OG 3.24Å; D35-S208 PolarHBondContact OD2-OG 3.07Å; D35-S208 VanDerWaalsContact OD2-OG 3.11Å; R39-S208 PolarHBondContact NH1-O 2.75Å; R39-S208 PolarHBondContact NH2-OG 3.2Å; S208-E210 PolarHBondContact O-N 3.07Å; S208-E210 WeakPolarHBondContact OG-CG 3.35Å; S208-I231 PolarHBondContact N-O 2.98Å; S208-N232 CarbonylContact C-O 3.58Å; S208-N232 WeakPolarHBondContact CA-O 3.06Å; S208-N233 PolarHBondContact N-O 3.1Å |
| 209 | G | 96.7 | Very high | 97.3 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -2.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I231 N232 | G209-I231 PolarHBondContact N-O 2.78Å; G209-N232 PolarHBondContact N-O 3.02Å |
| 210 | E | 97 | Very high | 97.4 | Very high | 56 Ų | 56 | 32.4 Ų | 32.4 | 26% | 0.262 | 17% | 0.174 | S | C | . | . | trans | -79.3 | 134 | 178.6 | -70.4 | -75.9 | -153.5 | 0 | 0 | 111 | R206 S208 R212 F230 | R206-E210 WeakPolarHBondContact CD-O 3.29Å; R206-E210 VanDerWaalsContact NE-CB 3.26Å; R206-E210 PolarHBondContact NE-O 2.84Å; S208-E210 PolarHBondContact O-N 3.07Å; S208-E210 WeakPolarHBondContact OG-CG 3.35Å; E210-R212 VanDerWaalsContact CD-NH2 3.33Å; E210-R212 IonicContact OE1-CZ 2.77Å; E210-R212 IonicContact OE1-NH1 3.46Å; E210-R212 PolarHBondContact OE1-NH1 3.45Å; E210-R212 IonicContact OE1-NH2 3.9Å; E210-R212 PolarHBondContact OE1-NH2 3.37Å; E210-R212 IonicContact OE2-CZ 3.44Å; E210-R212 IonicContact OE2-NH1 3.6Å; E210-R212 PolarHBondContact OE2-NH1 3.43Å; E210-R212 IonicContact OE2-NH2 3.14Å; E210-F230 VanDerWaalsContact O-CD1 3.23Å; E210-F230 WeakPolarHBondContact O-CD1 3.48Å | ||
| 211 | I | 96.6 | Very high | 97.4 | Very high | 127 Ų | 127 | 29.1 Ų | 29.1 | 65% | 0.651 | 15% | 0.152 | S | C | * | . | trans | -105.5 | -1.9 | -175.9 | 64.5 | 170.4 | 0 | 0 | 0 | 114.4 | F230 | I211-F230 HydrophobicContact CB-CD1 4.28Å; I211-F230 HydrophobicContact CB-CD2 4.39Å; I211-F230 HydrophobicContact CB-CE1 4.29Å; I211-F230 HydrophobicContact CB-CE2 4.38Å; I211-F230 HydrophobicContact CB-CG 4.34Å; I211-F230 HydrophobicContact CB-CZ 4.33Å; I211-F230 HydrophobicContact CG2-CB 4.26Å; I211-F230 HydrophobicContact CG2-CD1 4.27Å; I211-F230 HydrophobicContact CG2-CD2 4.12Å; I211-F230 HydrophobicContact CG2-CG 3.94Å; I211-F230 WeakPolarHBondContact O-CE1 3.49Å; I211-F230 VanDerWaalsContact O-CZ 3.26Å; I211-F230 WeakPolarHBondContact O-CZ 3.49Å | ||
| 212 | R | 96.5 | Very high | 97 | Very high | 125 Ų | 125 | 33.7 Ų | 33.7 | 47% | 0.472 | 18% | 0.184 | S | C | . | . | trans | -78 | 157.4 | 175.9 | 64.6 | 176.4 | 173.5 | -83.2 | -11.3 | 111.4 | R206 E210 S214 | R206-R212 WeakPolarHBondContact CD-O 3.44Å; R206-R212 VanDerWaalsContact CZ-O 3.28Å; R206-R212 PolarHBondContact NE-O 3.4Å; R206-R212 PolarHBondContact NH1-O 2.91Å; E210-R212 VanDerWaalsContact CD-NH2 3.33Å; E210-R212 IonicContact OE1-CZ 2.77Å; E210-R212 IonicContact OE1-NH1 3.46Å; E210-R212 PolarHBondContact OE1-NH1 3.45Å; E210-R212 IonicContact OE1-NH2 3.9Å; E210-R212 PolarHBondContact OE1-NH2 3.37Å; E210-R212 IonicContact OE2-CZ 3.44Å; E210-R212 IonicContact OE2-NH1 3.6Å; E210-R212 PolarHBondContact OE2-NH1 3.43Å; E210-R212 IonicContact OE2-NH2 3.14Å; R212-S214 PolarHBondContact NE-OG 3.21Å | ||
| 213 | L | 95.8 | Very high | 96.6 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | trans | -88.2 | -16.4 | 175 | -61.4 | -177.7 | 0 | 0 | 0 | 114.1 | I33 L204 D215 F216 T218 V221 Y228 | I33-L213 VanDerWaalsContact CD1-O 3.28Å; I33-L213 WeakPolarHBondContact CD1-O 3.41Å; L204-L213 HydrophobicContact CD1-CD2 4.04Å; L204-L213 HydrophobicContact CD2-CD2 3.9Å; L213-D215 VanDerWaalsContact C-N 3.26Å; L213-D215 PolarHBondContact O-N 3.11Å; L213-F216 VanDerWaalsContact O-CB 3.31Å; L213-F216 WeakPolarHBondContact O-CB 3.33Å; L213-F216 PolarHBondContact O-N 2.81Å; L213-T218 HydrophobicContact CB-CG2 4.5Å; L213-T218 HydrophobicContact CD1-CG2 4.41Å; L213-V221 HydrophobicContact CD1-CG1 4.04Å; L213-Y228 HydrophobicContact CD1-CE1 3.99Å; L213-Y228 HydrophobicContact CD2-CD1 3.88Å; L213-Y228 HydrophobicContact CD2-CE1 3.8Å; L213-Y228 HydrophobicContact CG-CE1 4.47Å | ||
| 214 | S | 95.1 | Very high | 96 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 40.4 | -179.5 | -69.6 | 0 | 0 | 0 | 0 | 113.8 | R206 R212 F216 | R206-S214 PolarHBondContact NH1-OG 2.98Å; R206-S214 PolarHBondContact NH2-OG 3.24Å; R212-S214 PolarHBondContact NE-OG 3.21Å; S214-F216 PolarHBondContact O-N 2.91Å |
| 215 | D | 96.9 | Very high | 95.4 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.1 | 178.1 | -163.7 | 24.4 | 0 | 0 | 0 | 113.2 | N158 S159 R160 L213 | N158-D215 CarbonylContact C-O 3.49Å; N158-D215 WeakPolarHBondContact CA-O 3.43Å; N158-D215 HydrophobicContact CB-CB 4.17Å; N158-D215 WeakPolarHBondContact CB-OD2 3.48Å; N158-D215 VanDerWaalsContact CG-OD2 3.23Å; S159-D215 WeakPolarHBondContact CB-OD1 3.32Å; S159-D215 PolarHBondContact N-O 3.16Å; S159-D215 PolarHBondContact N-OD1 3.03Å; S159-D215 PolarHBondContact OG-O 3.48Å; R160-D215 IonicContact CZ-OD2 2.7Å; R160-D215 PolarHBondContact N-OD1 2.79Å; R160-D215 VanDerWaalsContact NE-CG 3.33Å; R160-D215 IonicContact NE-OD1 2.89Å; R160-D215 IonicContact NE-OD2 3.64Å; R160-D215 PolarHBondContact NE-OD2 3.19Å; R160-D215 IonicContact NH2-OD2 3.3Å; R160-D215 PolarHBondContact NH2-OD2 3.26Å; L213-D215 VanDerWaalsContact C-N 3.26Å; L213-D215 PolarHBondContact O-N 3.11Å |
| 216 | F | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -105.3 | 124.3 | 177.2 | -173.4 | -128 | 0 | 0 | 0 | 111.3 | A31 I33 F77 C154 Y157 L204 L213 S214 T218 | A31-F216 HydrophobicContact CB-CE1 3.86Å; A31-F216 HydrophobicContact CB-CZ 4.37Å; I33-F216 HydrophobicContact CD1-CB 4.08Å; I33-F216 HydrophobicContact CD1-CD1 3.87Å; I33-F216 HydrophobicContact CD1-CG 4.41Å; I33-F216 HydrophobicContact CG1-CB 4.32Å; I33-F216 HydrophobicContact CG1-CD1 3.37Å; I33-F216 HydrophobicContact CG1-CE1 3.97Å; I33-F216 HydrophobicContact CG1-CG 4.15Å; F77-F216 HydrophobicContact CB-CD1 4.05Å; F77-F216 HydrophobicContact CB-CD2 3.75Å; F77-F216 HydrophobicContact CB-CE1 3.85Å; F77-F216 HydrophobicContact CB-CE2 3.6Å; F77-F216 HydrophobicContact CB-CG 3.99Å; F77-F216 HydrophobicContact CB-CZ 3.65Å; F77-F216 HydrophobicContact CD1-CB 3.57Å; F77-F216 HydrophobicContact CD1-CD1 4.16Å; F77-F216 AromaticContact CD1-CD2 3.65Å; F77-F216 HydrophobicContact CD1-CD2 3.65Å; F77-F216 HydrophobicContact CD1-CE2 4.39Å; F77-F216 AromaticContact CD1-CG 3.53Å; F77-F216 HydrophobicContact CD1-CG 3.53Å; F77-F216 AromaticContact CD2-CD2 3.57Å; F77-F216 HydrophobicContact CD2-CD2 3.57Å; F77-F216 AromaticContact CD2-CE2 3.83Å; F77-F216 HydrophobicContact CD2-CE2 3.83Å; F77-F216 HydrophobicContact CD2-CG 4.31Å; F77-F216 HydrophobicContact CE1-CB 3.55Å; F77-F216 HydrophobicContact CE1-CD2 4.03Å; F77-F216 AromaticContact CE1-CG 3.96Å; F77-F216 HydrophobicContact CE1-CG 3.96Å; F77-F216 AromaticContact CE2-CD2 3.93Å; F77-F216 HydrophobicContact CE2-CD2 3.93Å; F77-F216 HydrophobicContact CG-CB 4.24Å; F77-F216 HydrophobicContact CG-CD1 4.27Å; F77-F216 AromaticContact CG-CD2 3.38Å; F77-F216 HydrophobicContact CG-CD2 3.38Å; F77-F216 HydrophobicContact CG-CE1 4.48Å; F77-F216 AromaticContact CG-CE2 3.71Å; F77-F216 HydrophobicContact CG-CE2 3.71Å; F77-F216 AromaticContact CG-CG 3.71Å; F77-F216 HydrophobicContact CG-CG 3.71Å; F77-F216 HydrophobicContact CG-CZ 4.24Å; F77-F216 HydrophobicContact CZ-CB 4.17Å; F77-F216 HydrophobicContact CZ-CD2 4.13Å; F77-F216 HydrophobicContact CZ-CG 4.47Å; C154-F216 HydrophobicContact CB-CE2 3.85Å; Y157-F216 HydrophobicContact CD1-CD2 4.01Å; Y157-F216 HydrophobicContact CD1-CE2 4.39Å; Y157-F216 HydrophobicContact CE1-CD2 4.03Å; Y157-F216 HydrophobicContact CE1-CE2 4.5Å; L204-F216 HydrophobicContact CD1-CD1 4.23Å; L213-F216 VanDerWaalsContact O-CB 3.31Å; L213-F216 WeakPolarHBondContact O-CB 3.33Å; L213-F216 PolarHBondContact O-N 2.81Å; S214-F216 PolarHBondContact O-N 2.91Å; F216-T218 PolarHBondContact O-N 3.03Å |
| 217 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 45.5 | 33 | 177.2 | -60.7 | 178.6 | 0 | 0 | 0 | 114.5 | A31 Y157 S159 T195 L201 W219 Q220 V221 | A31-L217 HydrophobicContact CB-CD1 3.69Å; Y157-L217 HydrophobicContact CE1-CD2 4.28Å; S159-L217 WeakPolarHBondContact OG-CA 3.49Å; S159-L217 PolarHBondContact OG-N 3.42Å; T195-L217 HydrophobicContact CG2-CD2 3.85Å; L201-L217 HydrophobicContact CD2-CB 4.2Å; L201-L217 HydrophobicContact CD2-CD1 4.06Å; L217-W219 VanDerWaalsContact C-N 3.26Å; L217-W219 PolarHBondContact O-N 2.91Å; L217-Q220 VanDerWaalsContact C-OE1 3.26Å; L217-Q220 HydrophobicContact CB-CB 4.39Å; L217-Q220 PolarHBondContact O-N 2.81Å; L217-Q220 PolarHBondContact O-OE1 2.97Å; L217-V221 HydrophobicContact CB-CG2 4.42Å; L217-V221 WeakPolarHBondContact O-CB 3.42Å; L217-V221 WeakPolarHBondContact O-CG2 3.31Å; L217-V221 PolarHBondContact O-N 3.3Å |
| 218 | T | 97.1 | Very high | 95.2 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.6 | -30.3 | -171 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | S159 L213 F216 S222 | S159-T218 WeakPolarHBondContact CB-OG1 3.43Å; S159-T218 PolarHBondContact OG-N 3.13Å; S159-T218 PolarHBondContact OG-OG1 3.31Å; L213-T218 HydrophobicContact CB-CG2 4.5Å; L213-T218 HydrophobicContact CD1-CG2 4.41Å; F216-T218 PolarHBondContact O-N 3.03Å; T218-S222 WeakPolarHBondContact O-CB 3.48Å; T218-S222 PolarHBondContact O-N 3.19Å |
| 219 | W | 97.3 | Very high | 95.2 | Very high | 56 Ų | 56 | 48.3 Ų | 48.3 | 21% | 0.212 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -54.2 | 172.3 | -179 | -80.5 | 0 | 0 | 0 | 110.8 | I163 R186 L189 S190 L193 L217 V221 S222 E223 | I163-W219 HydrophobicContact CD1-CE3 4.04Å; I163-W219 HydrophobicContact CG1-CE3 4.13Å; R186-W219 HydrophobicContact CG-CH2 4.14Å; R186-W219 HydrophobicContact CG-CZ2 3.77Å; L189-W219 HydrophobicContact CB-CH2 4.09Å; L189-W219 HydrophobicContact CB-CZ2 4.15Å; L189-W219 HydrophobicContact CD1-CH2 4.19Å; S190-W219 PolarHBondContact OG-NE1 2.77Å; L193-W219 HydrophobicContact CD1-CB 4.09Å; L193-W219 HydrophobicContact CD1-CD2 3.85Å; L193-W219 HydrophobicContact CD1-CG 3.45Å; L193-W219 VanDerWaalsContact CD1-CG 3.45Å; L217-W219 VanDerWaalsContact C-N 3.26Å; L217-W219 PolarHBondContact O-N 2.91Å; W219-V221 VanDerWaalsContact C-N 3.3Å; W219-V221 PolarHBondContact O-N 2.79Å; W219-S222 PolarHBondContact O-N 3.01Å; W219-S222 VanDerWaalsContact O-N 3.16Å; W219-E223 WeakPolarHBondContact O-CB 3.23Å; W219-E223 PolarHBondContact O-N 3.15Å |
| 220 | Q | 97.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | -176.3 | -62.5 | 74 | 16.7 | 0 | 0 | 111.2 | T195 L201 L217 E223 N224 | T195-Q220 HydrophobicContact CG2-CG 4.43Å; T195-Q220 WeakPolarHBondContact OG1-CG 3.45Å; T195-Q220 PolarHBondContact OG1-NE2 2.77Å; L201-Q220 HydrophobicContact CB-CB 4.25Å; L217-Q220 VanDerWaalsContact C-OE1 3.26Å; L217-Q220 HydrophobicContact CB-CB 4.39Å; L217-Q220 PolarHBondContact O-N 2.81Å; L217-Q220 PolarHBondContact O-OE1 2.97Å; Q220-E223 PolarHBondContact O-N 2.86Å; Q220-N224 WeakPolarHBondContact O-CB 3.41Å; Q220-N224 PolarHBondContact O-N 3.35Å; Q220-N224 VanDerWaalsContact O-N 3.13Å; Q220-N224 PolarHBondContact O-ND2 2.97Å |
| 221 | V | 95.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 174.1 | 161.3 | 0 | 0 | 0 | 0 | 111.6 | L201 L204 L213 L217 W219 T226 Y228 | L201-V221 HydrophobicContact CD2-CG2 3.64Å; L204-V221 HydrophobicContact CD1-CG2 3.64Å; L213-V221 HydrophobicContact CD1-CG1 4.04Å; L217-V221 HydrophobicContact CB-CG2 4.42Å; L217-V221 WeakPolarHBondContact O-CB 3.42Å; L217-V221 WeakPolarHBondContact O-CG2 3.31Å; L217-V221 PolarHBondContact O-N 3.3Å; W219-V221 VanDerWaalsContact C-N 3.3Å; W219-V221 PolarHBondContact O-N 2.79Å; V221-T226 WeakPolarHBondContact CA-OG1 3.24Å; V221-T226 HydrophobicContact CG2-CG2 4.32Å; V221-T226 PolarHBondContact O-N 3.44Å; V221-T226 PolarHBondContact O-OG1 3.47Å; V221-Y228 HydrophobicContact CG1-CE1 3.34Å; V221-Y228 WeakPolarHBondContact CG1-OH 3.36Å; V221-Y228 HydrophobicContact CG2-CE1 4.33Å |
| 222 | S | 90.9 | Very high | 95.4 | Very high | 97 Ų | 97 | 47.9 Ų | 47.9 | 68% | 0.678 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -75.5 | -28.2 | -179.8 | -173.2 | 0 | 0 | 0 | 0 | 112.8 | T218 W219 | T218-S222 WeakPolarHBondContact O-CB 3.48Å; T218-S222 PolarHBondContact O-N 3.19Å; W219-S222 PolarHBondContact O-N 3.01Å; W219-S222 VanDerWaalsContact O-N 3.16Å |
| 223 | E | 88.3 | Confident | 95.5 | Very high | 84 Ų | 84 | 45 Ų | 45 | 39% | 0.393 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75.6 | -35.3 | -177.5 | -176 | 175.1 | -127.4 | 0 | 0 | 112.6 | S190 W219 Q220 | S190-E223 WeakPolarHBondContact CB-OE1 3.37Å; S190-E223 PolarHBondContact OG-OE1 3.08Å; W219-E223 WeakPolarHBondContact O-CB 3.23Å; W219-E223 PolarHBondContact O-N 3.15Å; Q220-E223 PolarHBondContact O-N 2.86Å |
| 224 | N | 86.4 | Confident | 95.6 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 24% | 0.235 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 15.4 | -165.4 | -61.6 | -59.2 | 0 | 0 | 0 | 115 | P200 L201 Q220 T226 | P200-N224 HydrophobicContact CB-CB 4.13Å; P200-N224 VanDerWaalsContact CB-OD1 3.29Å; P200-N224 WeakPolarHBondContact CB-OD1 3.22Å; L201-N224 PolarHBondContact N-ND2 2.86Å; L201-N224 WeakPolarHBondContact O-CB 3.39Å; Q220-N224 WeakPolarHBondContact O-CB 3.41Å; Q220-N224 PolarHBondContact O-N 3.35Å; Q220-N224 VanDerWaalsContact O-N 3.13Å; Q220-N224 PolarHBondContact O-ND2 2.97Å; N224-T226 PolarHBondContact O-N 3.35Å |
| 225 | D | 87 | Confident | 95.8 | Very high | 71 Ų | 71 | 44.8 Ų | 44.8 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 39.9 | -173.5 | -70.7 | -43.4 | 0 | 0 | 0 | 111.6 | I227 K264 | D225-I227 PolarHBondContact O-N 3.35Å; D225-K264 IonicContact OD1-NZ 2.75Å; D225-K264 PolarHBondContact OD1-NZ 3.16Å; D225-K264 IonicContact OD2-NZ 2.84Å; D225-K264 PolarHBondContact OD2-NZ 3.37Å |
| 226 | T | 95.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | trans | -58.9 | 133.5 | -172 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | L201 L204 V221 N224 Y228 | L201-T226 HydrophobicContact CD2-CG2 3.95Å; L201-T226 HydrophobicContact CG-CG2 3.79Å; L201-T226 PolarHBondContact O-OG1 3.14Å; L204-T226 HydrophobicContact CB-CG2 4.03Å; V221-T226 WeakPolarHBondContact CA-OG1 3.24Å; V221-T226 HydrophobicContact CG2-CG2 4.32Å; V221-T226 PolarHBondContact O-N 3.44Å; V221-T226 PolarHBondContact O-OG1 3.47Å; N224-T226 PolarHBondContact O-N 3.35Å; T226-Y228 WeakPolarHBondContact O-CE2 3.21Å | ||
| 227 | I | 97.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.072 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 138.7 | 173.4 | -67.7 | 154.8 | 0 | 0 | 0 | 109.4 | D202 L203 L204 D225 Y250 L257 | D202-I227 PolarHBondContact O-N 2.96Å; L203-I227 CarbonylContact C-O 3.45Å; L203-I227 WeakPolarHBondContact CA-O 3.36Å; L203-I227 HydrophobicContact CD1-CB 4.32Å; L203-I227 HydrophobicContact CD1-CG2 4.03Å; L203-I227 WeakPolarHBondContact CD1-O 3.13Å; L204-I227 PolarHBondContact N-O 3.1Å; D225-I227 PolarHBondContact O-N 3.35Å; I227-Y250 HydrophobicContact CB-CD2 4.23Å; I227-Y250 HydrophobicContact CD1-CD2 3.45Å; I227-Y250 VanDerWaalsContact CD1-CD2 3.45Å; I227-Y250 HydrophobicContact CD1-CE2 3.75Å; I227-Y250 HydrophobicContact CD1-CG 4.31Å; I227-Y250 HydrophobicContact CG1-CD2 4.4Å; I227-L257 HydrophobicContact CD1-CD1 4.4Å; I227-L257 HydrophobicContact CG1-CD1 4.1Å |
| 228 | Y | 97.3 | Very high | 95.8 | Very high | 87 Ų | 87 | 48.2 Ų | 48.2 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.7 | 177.9 | -48.7 | -87.6 | 0 | 0 | 0 | 110.8 | L204 L213 V221 T226 F230 H249 | L204-Y228 HydrophobicContact CB-CD1 4.28Å; L204-Y228 HydrophobicContact CD2-CD1 4.4Å; L204-Y228 CarbonylContact O-C 3.59Å; L204-Y228 WeakPolarHBondContact O-CA 3.42Å; L213-Y228 HydrophobicContact CD1-CE1 3.99Å; L213-Y228 HydrophobicContact CD2-CD1 3.88Å; L213-Y228 HydrophobicContact CD2-CE1 3.8Å; L213-Y228 HydrophobicContact CG-CE1 4.47Å; V221-Y228 HydrophobicContact CG1-CE1 3.34Å; V221-Y228 WeakPolarHBondContact CG1-OH 3.36Å; V221-Y228 HydrophobicContact CG2-CE1 4.33Å; T226-Y228 WeakPolarHBondContact O-CE2 3.21Å; Y228-F230 HydrophobicContact CG-CZ 4.46Å; Y228-H249 PolarHBondContact O-NE2 2.84Å |
| 229 | K | 98.1 | Very high | 95.8 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 20% | 0.2 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 117.4 | 169.5 | 179.8 | 63.4 | 169.8 | 177.5 | 0 | 110.4 | L203 L204 I205 R206 I231 S246 H249 | L203-K229 HydrophobicContact CD1-CB 4.19Å; L204-K229 PolarHBondContact O-N 3.09Å; I205-K229 CarbonylContact C-O 3.53Å; I205-K229 VanDerWaalsContact CA-O 3.3Å; I205-K229 WeakPolarHBondContact CA-O 3.48Å; I205-K229 HydrophobicContact CG1-CB 4.3Å; R206-K229 PolarHBondContact N-O 3.05Å; K229-I231 HydrophobicContact CD-CD1 4.28Å; K229-I231 HydrophobicContact CG-CD1 3.98Å; K229-I231 HydrophobicContact CG-CG1 4.28Å; K229-S246 WeakPolarHBondContact CG-OG 3.4Å; K229-H249 HydrophobicContact CD-CB 4.13Å |
| 230 | F | 98.3 | Very high | 95.8 | Very high | 67 Ų | 67 | 45.4 Ų | 45.4 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133 | 174.5 | -55.3 | -73.7 | 0 | 0 | 0 | 109.9 | R206 E210 I211 Y228 | R206-F230 HydrophobicContact CB-CD1 3.88Å; R206-F230 HydrophobicContact CB-CE1 4.15Å; R206-F230 HydrophobicContact CG-CD1 4.39Å; R206-F230 CarbonylContact O-C 3.59Å; R206-F230 WeakPolarHBondContact O-CA 3.36Å; E210-F230 VanDerWaalsContact O-CD1 3.23Å; E210-F230 WeakPolarHBondContact O-CD1 3.48Å; I211-F230 HydrophobicContact CB-CD1 4.28Å; I211-F230 HydrophobicContact CB-CD2 4.39Å; I211-F230 HydrophobicContact CB-CE1 4.29Å; I211-F230 HydrophobicContact CB-CE2 4.38Å; I211-F230 HydrophobicContact CB-CG 4.34Å; I211-F230 HydrophobicContact CB-CZ 4.33Å; I211-F230 HydrophobicContact CG2-CB 4.26Å; I211-F230 HydrophobicContact CG2-CD1 4.27Å; I211-F230 HydrophobicContact CG2-CD2 4.12Å; I211-F230 HydrophobicContact CG2-CG 3.94Å; I211-F230 WeakPolarHBondContact O-CE1 3.49Å; I211-F230 VanDerWaalsContact O-CZ 3.26Å; I211-F230 WeakPolarHBondContact O-CZ 3.49Å; Y228-F230 HydrophobicContact CG-CZ 4.46Å |
| 231 | I | 98.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | trans | -121.3 | 134.3 | -177.4 | -59.3 | -69.5 | 0 | 0 | 0 | 108.4 | I205 R206 T207 S208 G209 K229 N233 F238 D242 | I205-I231 HydrophobicContact CG2-CG1 4.16Å; R206-I231 PolarHBondContact O-N 3.14Å; T207-I231 CarbonylContact C-O 3.44Å; T207-I231 VanDerWaalsContact C-O 3.23Å; T207-I231 WeakPolarHBondContact CA-O 3.16Å; T207-I231 HydrophobicContact CG2-CB 4.34Å; S208-I231 PolarHBondContact N-O 2.98Å; G209-I231 PolarHBondContact N-O 2.78Å; K229-I231 HydrophobicContact CD-CD1 4.28Å; K229-I231 HydrophobicContact CG-CD1 3.98Å; K229-I231 HydrophobicContact CG-CG1 4.28Å; I231-N233 HydrophobicContact CG2-CB 4.13Å; I231-F238 HydrophobicContact CG1-CE2 4.14Å; I231-F238 HydrophobicContact CG2-CD2 4.29Å; I231-D242 HydrophobicContact CD1-CB 4.23Å; I231-D242 HydrophobicContact CG2-CB 4.1Å | ||
| 232 | N | 98.2 | Very high | 96 | Very high | 132 Ų | 132 | 51.7 Ų | 51.7 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -72.4 | -37.9 | -176.5 | -70.2 | -21.6 | 0 | 0 | 0 | 112.6 | S208 G209 | S208-N232 CarbonylContact C-O 3.58Å; S208-N232 WeakPolarHBondContact CA-O 3.06Å; G209-N232 PolarHBondContact N-O 3.02Å |
| 233 | N | 98.2 | Very high | 96.3 | Very high | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.342 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -58.2 | 145.8 | -178.7 | -60 | 30.4 | 0 | 0 | 0 | 111.1 | T207 S208 I231 E237 D242 | T207-N233 VanDerWaalsContact CB-O 3.3Å; T207-N233 WeakPolarHBondContact CB-O 3.14Å; S208-N233 PolarHBondContact N-O 3.1Å; I231-N233 HydrophobicContact CG2-CB 4.13Å; N233-E237 HydrophobicContact CB-CB 4.3Å; N233-E237 PolarHBondContact ND2-O 3.08Å; N233-D242 PolarHBondContact ND2-OD2 3.26Å |
| 234 | Y | 98.5 | Very high | 96.8 | Very high | 77 Ų | 77 | 43.7 Ų | 43.7 | 30% | 0.302 | 21% | 0.208 | S | C | . | . | trans | -67.4 | 154 | 169.9 | -60.5 | -38.9 | 0 | 0 | 0 | 110.8 | R39 F40 P236 E237 F238 | R39-Y234 HydrophobicContact CB-CD1 4.38Å; R39-Y234 HydrophobicContact CB-CE1 3.9Å; R39-Y234 HydrophobicContact CB-CE2 4.05Å; F40-Y234 HydrophobicContact CB-CD2 3.91Å; F40-Y234 HydrophobicContact CB-CG 4.28Å; Y234-P236 VanDerWaalsContact C-N 3.35Å; Y234-E237 CarbonylContact O-C 3.47Å; Y234-E237 WeakPolarHBondContact O-CA 3.46Å; Y234-E237 PolarHBondContact O-N 3.25Å; Y234-F238 PolarHBondContact O-N 2.84Å | ||
| 235 | W | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -50.1 | -46.8 | -177.5 | 176.3 | -111.8 | 0 | 0 | 0 | 113.7 | F32 M34 D35 G55 K58 L59 T62 T207 E237 F238 | F32-W235 HydrophobicContact CD1-CH2 4.09Å; F32-W235 AromaticContact CD1-CZ3 3.86Å; F32-W235 HydrophobicContact CD1-CZ3 3.86Å; F32-W235 HydrophobicContact CE1-CZ3 4.47Å; F32-W235 HydrophobicContact CG-CH2 4.35Å; F32-W235 HydrophobicContact CG-CZ3 4.45Å; M34-W235 HydrophobicContact CB-CB 4.31Å; M34-W235 HydrophobicContact CB-CD2 3.65Å; M34-W235 HydrophobicContact CB-CE3 4.23Å; M34-W235 HydrophobicContact CB-CG 3.65Å; M34-W235 HydrophobicContact CB-CZ2 4.42Å; M34-W235 HydrophobicContact CG-CD2 3.68Å; M34-W235 VanDerWaalsContact CG-CE2 3.45Å; M34-W235 HydrophobicContact CG-CE3 4.03Å; M34-W235 HydrophobicContact CG-CG 4.21Å; M34-W235 HydrophobicContact CG-CH2 3.97Å; M34-W235 HydrophobicContact CG-CZ2 3.59Å; M34-W235 HydrophobicContact CG-CZ3 4.19Å; M34-W235 HydrophobicContact SD-CD2 4.34Å; M34-W235 VanDerWaalsContact SD-CE2 3.5Å; M34-W235 HydrophobicContact SD-CH2 4.23Å; M34-W235 HydrophobicContact SD-CZ2 3.42Å; M34-W235 WeakPolarHBondContact SD-CZ2 3.45Å; D35-W235 VanDerWaalsContact O-CB 3.24Å; D35-W235 WeakPolarHBondContact O-CB 3.43Å; D35-W235 PolarHBondContact O-N 3.43Å; G55-W235 PolarHBondContact O-NE1 3.11Å; K58-W235 HydrophobicContact CG-CZ2 4.33Å; K58-W235 WeakPolarHBondContact CG-O 3.5Å; L59-W235 HydrophobicContact CB-CZ2 4.02Å; L59-W235 HydrophobicContact CD1-CZ2 4.32Å; T62-W235 HydrophobicContact CG2-CH2 4.05Å; T207-W235 HydrophobicContact CG2-CE3 3.79Å; T207-W235 HydrophobicContact CG2-CZ3 4.46Å; W235-E237 PolarHBondContact O-N 3.43Å; W235-E237 VanDerWaalsContact O-N 3.08Å; W235-F238 HydrophobicContact CE3-CB 4.06Å; W235-F238 HydrophobicContact CE3-CD1 4.48Å; W235-F238 HydrophobicContact CE3-CG 4.24Å; W235-F238 HydrophobicContact CH2-CD1 4.37Å; W235-F238 HydrophobicContact CZ3-CB 4.26Å; W235-F238 AromaticContact CZ3-CD1 3.84Å; W235-F238 HydrophobicContact CZ3-CD1 3.84Å; W235-F238 HydrophobicContact CZ3-CE1 4.33Å; W235-F238 HydrophobicContact CZ3-CG 4.02Å; W235-F238 VanDerWaalsContact O-CB 3.22Å; W235-F238 WeakPolarHBondContact O-CB 3.34Å; W235-F238 PolarHBondContact O-N 3.1Å |
| 236 | P | 98 | Very high | 97.9 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 10% | 0.104 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -58.7 | -24.2 | 176.6 | -28.9 | 39.8 | 0 | 0 | 0 | 115 | N37 F40 H54 K58 Y234 | N37-P236 WeakPolarHBondContact OD1-CD 3.39Å; N37-P236 WeakPolarHBondContact OD1-CG 3.25Å; F40-P236 HydrophobicContact CB-CB 4.47Å; F40-P236 HydrophobicContact CB-CG 3.94Å; F40-P236 HydrophobicContact CD1-CB 3.79Å; F40-P236 HydrophobicContact CD1-CG 3.69Å; F40-P236 HydrophobicContact CD2-CB 3.87Å; F40-P236 HydrophobicContact CD2-CG 4.27Å; F40-P236 HydrophobicContact CE1-CB 3.9Å; F40-P236 HydrophobicContact CE1-CG 4.26Å; F40-P236 HydrophobicContact CE2-CB 3.97Å; F40-P236 HydrophobicContact CG-CB 3.77Å; F40-P236 HydrophobicContact CG-CG 3.69Å; F40-P236 HydrophobicContact CZ-CB 3.98Å; H54-P236 HydrophobicContact CB-CB 3.96Å; H54-P236 HydrophobicContact CB-CG 4.31Å; K58-P236 WeakPolarHBondContact CE-O 3.43Å; Y234-P236 VanDerWaalsContact C-N 3.35Å |
| 237 | E | 98 | Very high | 98 | Very high | 78 Ų | 78 | 39.8 Ų | 39.8 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -99.5 | 6.2 | -179.4 | -62.9 | 174.3 | 130.6 | 0 | 0 | 112.7 | F40 N233 Y234 W235 S239 | F40-E237 HydrophobicContact CD2-CG 3.73Å; F40-E237 HydrophobicContact CE2-CG 3.65Å; N233-E237 HydrophobicContact CB-CB 4.3Å; N233-E237 PolarHBondContact ND2-O 3.08Å; Y234-E237 CarbonylContact O-C 3.47Å; Y234-E237 WeakPolarHBondContact O-CA 3.46Å; Y234-E237 PolarHBondContact O-N 3.25Å; W235-E237 PolarHBondContact O-N 3.43Å; W235-E237 VanDerWaalsContact O-N 3.08Å; E237-S239 PolarHBondContact O-N 3.29Å; E237-S239 VanDerWaalsContact O-N 3.15Å |
| 238 | F | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -60.7 | 116.9 | 175 | -174.1 | -110 | 0 | 0 | 0 | 109.6 | F32 K58 T62 W65 I205 T207 I231 Y234 W235 D242 F243 | F32-F238 HydrophobicContact CE1-CE1 4.17Å; F32-F238 HydrophobicContact CE1-CZ 4.14Å; K58-F238 HydrophobicContact CD-CB 4.37Å; K58-F238 WeakPolarHBondContact CD-O 3.4Å; K58-F238 WeakPolarHBondContact CE-O 3.24Å; K58-F238 HydrophobicContact CG-CB 4.19Å; K58-F238 PolarHBondContact NZ-O 3.09Å; K58-F238 VanDerWaalsContact NZ-O 3.08Å; T62-F238 HydrophobicContact CG2-CD1 4.32Å; T62-F238 HydrophobicContact CG2-CE1 3.87Å; W65-F238 HydrophobicContact CE3-CE1 4.49Å; W65-F238 AromaticContact CZ3-CD1 3.97Å; W65-F238 HydrophobicContact CZ3-CD1 3.97Å; W65-F238 HydrophobicContact CZ3-CE1 4.05Å; I205-F238 HydrophobicContact CG2-CE2 4.23Å; I205-F238 HydrophobicContact CG2-CZ 4.45Å; T207-F238 HydrophobicContact CG2-CB 4.33Å; T207-F238 HydrophobicContact CG2-CD2 3.76Å; T207-F238 HydrophobicContact CG2-CE2 4.45Å; T207-F238 HydrophobicContact CG2-CG 4.3Å; I231-F238 HydrophobicContact CG1-CE2 4.14Å; I231-F238 HydrophobicContact CG2-CD2 4.29Å; Y234-F238 PolarHBondContact O-N 2.84Å; W235-F238 HydrophobicContact CE3-CB 4.06Å; W235-F238 HydrophobicContact CE3-CD1 4.48Å; W235-F238 HydrophobicContact CE3-CG 4.24Å; W235-F238 HydrophobicContact CH2-CD1 4.37Å; W235-F238 HydrophobicContact CZ3-CB 4.26Å; W235-F238 AromaticContact CZ3-CD1 3.84Å; W235-F238 HydrophobicContact CZ3-CD1 3.84Å; W235-F238 HydrophobicContact CZ3-CE1 4.33Å; W235-F238 HydrophobicContact CZ3-CG 4.02Å; W235-F238 VanDerWaalsContact O-CB 3.22Å; W235-F238 WeakPolarHBondContact O-CB 3.34Å; W235-F238 PolarHBondContact O-N 3.1Å; F238-D242 HydrophobicContact CD2-CB 3.53Å; F238-D242 HydrophobicContact CE2-CB 3.4Å; F238-D242 VanDerWaalsContact CE2-CB 3.4Å; F238-D242 HydrophobicContact CG-CB 4.38Å; F238-D242 HydrophobicContact CZ-CB 4.16Å; F238-F243 HydrophobicContact CE1-CB 3.85Å; F238-F243 HydrophobicContact CE1-CD2 4.48Å; F238-F243 HydrophobicContact CZ-CB 3.86Å | ||
| 239 | S | 97.2 | Very high | 98.1 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 24% | 0.238 | 20% | 0.199 | C | C | . | . | trans | -97.7 | 164.5 | -173.9 | 72.5 | 0 | 0 | 0 | 0 | 111.7 | E237 W241 D242 F243 | E237-S239 PolarHBondContact O-N 3.29Å; E237-S239 VanDerWaalsContact O-N 3.15Å; S239-W241 PolarHBondContact O-N 3.41Å; S239-W241 PolarHBondContact OG-N 2.49Å; S239-D242 WeakPolarHBondContact CB-OD2 3.39Å; S239-D242 PolarHBondContact N-OD2 3.14Å; S239-D242 WeakPolarHBondContact O-CB 3.32Å; S239-D242 PolarHBondContact O-N 2.79Å; S239-D242 VanDerWaalsContact O-N 3.11Å; S239-D242 VanDerWaalsContact OG-CG 3.26Å; S239-D242 PolarHBondContact OG-N 2.7Å; S239-D242 VanDerWaalsContact OG-N 3.09Å; S239-D242 PolarHBondContact OG-OD2 3.37Å; S239-F243 PolarHBondContact O-N 2.76Å | ||
| 240 | W | 96.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -30.4 | 169.8 | -174.8 | 86.9 | 0 | 0 | 0 | 112 | Y10 Q14 C17 L18 W65 F243 L244 | Y10-W240 AromaticContact CD1-NE1 3.88Å; Y10-W240 AromaticContact CE1-CD1 3.68Å; Y10-W240 AromaticContact CE1-NE1 3.34Å; Y10-W240 VanDerWaalsContact CE1-NE1 3.34Å; Q14-W240 HydrophobicContact CB-CD2 4.27Å; Q14-W240 HydrophobicContact CB-CE3 4.21Å; Q14-W240 HydrophobicContact CB-CH2 3.94Å; Q14-W240 HydrophobicContact CB-CZ2 4Å; Q14-W240 HydrophobicContact CB-CZ3 4.02Å; Q14-W240 HydrophobicContact CG-CD2 3.91Å; Q14-W240 HydrophobicContact CG-CE3 3.61Å; Q14-W240 HydrophobicContact CG-CH2 4.19Å; Q14-W240 HydrophobicContact CG-CZ2 4.46Å; Q14-W240 HydrophobicContact CG-CZ3 3.74Å; Q14-W240 VanDerWaalsContact NE2-CG 3.31Å; C17-W240 HydrophobicContact CB-CH2 3.58Å; C17-W240 HydrophobicContact CB-CZ3 4.31Å; L18-W240 HydrophobicContact CD2-CZ2 3.84Å; L18-W240 HydrophobicContact CG-CZ2 3.75Å; W65-W240 AromaticContact CD1-CD1 3.78Å; W65-W240 AromaticContact CD2-CD1 3.75Å; W65-W240 AromaticContact CE2-CD1 3.74Å; W65-W240 AromaticContact CG-CD1 3.8Å; W65-W240 HydrophobicContact CH2-CB 4.17Å; W65-W240 HydrophobicContact CZ2-CB 4Å; W65-W240 HydrophobicContact CZ3-CB 4.5Å; W65-W240 AromaticContact NE1-CD1 3.73Å; W240-F243 WeakPolarHBondContact O-CB 3.11Å; W240-F243 PolarHBondContact O-N 2.96Å; W240-L244 HydrophobicContact CE3-CB 4.4Å; W240-L244 HydrophobicContact CH2-CB 4.16Å; W240-L244 HydrophobicContact CH2-CD1 4.06Å; W240-L244 HydrophobicContact CH2-CD2 3.79Å; W240-L244 HydrophobicContact CH2-CG 4.21Å; W240-L244 HydrophobicContact CZ3-CB 4.05Å; W240-L244 HydrophobicContact CZ3-CD2 3.64Å; W240-L244 HydrophobicContact CZ3-CG 4.3Å; W240-L244 WeakPolarHBondContact O-CB 3.39Å; W240-L244 PolarHBondContact O-N 2.89Å |
| 241 | W | 97.7 | Very high | 98.1 | Very high | 121 Ų | 121 | 37.1 Ų | 37.1 | 46% | 0.458 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -73.6 | -35.2 | 176.9 | -54.4 | 108.2 | 0 | 0 | 0 | 112.4 | L13 Q14 S239 F243 L244 S245 | L13-W241 HydrophobicContact CB-CH2 4.27Å; L13-W241 HydrophobicContact CD2-CH2 3.64Å; L13-W241 HydrophobicContact CD2-CZ3 4.18Å; L13-W241 HydrophobicContact CG-CH2 3.8Å; L13-W241 HydrophobicContact CG-CZ3 4.32Å; Q14-W241 HydrophobicContact CG-CH2 3.95Å; Q14-W241 HydrophobicContact CG-CZ2 3.91Å; S239-W241 PolarHBondContact O-N 3.41Å; S239-W241 PolarHBondContact OG-N 2.49Å; W241-F243 VanDerWaalsContact C-N 3.35Å; W241-L244 HydrophobicContact CE3-CD2 4.06Å; W241-L244 HydrophobicContact CZ3-CD2 4.23Å; W241-L244 PolarHBondContact O-N 2.78Å; W241-S245 VanDerWaalsContact O-CB 3.31Å; W241-S245 WeakPolarHBondContact O-CB 3.28Å; W241-S245 PolarHBondContact O-N 3.23Å |
| 242 | D | 98.5 | Very high | 98 | Very high | 24 Ų | 24 | 42 Ų | 42 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 172.4 | -62.2 | -56.1 | 0 | 0 | 0 | 110.3 | I231 N233 F238 S239 S245 S246 | I231-D242 HydrophobicContact CD1-CB 4.23Å; I231-D242 HydrophobicContact CG2-CB 4.1Å; N233-D242 PolarHBondContact ND2-OD2 3.26Å; F238-D242 HydrophobicContact CD2-CB 3.53Å; F238-D242 HydrophobicContact CE2-CB 3.4Å; F238-D242 VanDerWaalsContact CE2-CB 3.4Å; F238-D242 HydrophobicContact CG-CB 4.38Å; F238-D242 HydrophobicContact CZ-CB 4.16Å; S239-D242 WeakPolarHBondContact CB-OD2 3.39Å; S239-D242 PolarHBondContact N-OD2 3.14Å; S239-D242 WeakPolarHBondContact O-CB 3.32Å; S239-D242 PolarHBondContact O-N 2.79Å; S239-D242 VanDerWaalsContact O-N 3.11Å; S239-D242 VanDerWaalsContact OG-CG 3.26Å; S239-D242 PolarHBondContact OG-N 2.7Å; S239-D242 VanDerWaalsContact OG-N 3.09Å; S239-D242 PolarHBondContact OG-OD2 3.37Å; D242-S245 PolarHBondContact O-N 3.3Å; D242-S245 PolarHBondContact O-OG 2.95Å; D242-S246 WeakPolarHBondContact O-CB 3.36Å; D242-S246 PolarHBondContact O-N 3.45Å; D242-S246 PolarHBondContact O-OG 3.46Å |
| 243 | F | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.7 | -54.4 | 172.4 | 176.6 | -105.3 | 0 | 0 | 0 | 111.6 | W65 I69 I71 F238 S239 W240 W241 S245 S246 I247 | W65-F243 HydrophobicContact CB-CD1 3.84Å; W65-F243 HydrophobicContact CB-CE1 3.67Å; W65-F243 HydrophobicContact CB-CG 4.34Å; W65-F243 HydrophobicContact CB-CZ 4.05Å; W65-F243 HydrophobicContact CE3-CB 3.73Å; W65-F243 HydrophobicContact CE3-CD1 4.3Å; W65-F243 AromaticContact CE3-CG 3.94Å; W65-F243 HydrophobicContact CE3-CG 3.94Å; W65-F243 HydrophobicContact CZ3-CB 4.11Å; I69-F243 HydrophobicContact CD1-CE1 3.87Å; I69-F243 HydrophobicContact CD1-CZ 3.47Å; I69-F243 VanDerWaalsContact CD1-CZ 3.47Å; I69-F243 HydrophobicContact CG1-CE1 4.34Å; I69-F243 HydrophobicContact CG1-CZ 3.98Å; I69-F243 HydrophobicContact CG2-CE1 4.24Å; I71-F243 HydrophobicContact CD1-CE2 4.07Å; I71-F243 HydrophobicContact CD1-CZ 4.03Å; F238-F243 HydrophobicContact CE1-CB 3.85Å; F238-F243 HydrophobicContact CE1-CD2 4.48Å; F238-F243 HydrophobicContact CZ-CB 3.86Å; S239-F243 PolarHBondContact O-N 2.76Å; W240-F243 WeakPolarHBondContact O-CB 3.11Å; W240-F243 PolarHBondContact O-N 2.96Å; W241-F243 VanDerWaalsContact C-N 3.35Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 3.26Å; F243-S246 WeakPolarHBondContact O-CA 3.45Å; F243-S246 VanDerWaalsContact O-CB 3.29Å; F243-S246 WeakPolarHBondContact O-CB 3.47Å; F243-S246 PolarHBondContact O-N 3.49Å; F243-I247 HydrophobicContact CE1-CG1 4.18Å; F243-I247 HydrophobicContact CE2-CD1 4.06Å; F243-I247 HydrophobicContact CE2-CG1 4.21Å; F243-I247 HydrophobicContact CZ-CD1 4.11Å; F243-I247 HydrophobicContact CZ-CG1 4.01Å; F243-I247 WeakPolarHBondContact O-CG1 3.47Å; F243-I247 PolarHBondContact O-N 3.45Å; F243-I247 VanDerWaalsContact O-N 3.07Å |
| 244 | L | 98.2 | Very high | 97.6 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 7% | 0.068 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.7 | -47.6 | 177 | 178.3 | 69.5 | 0 | 0 | 0 | 111.7 | C17 I21 W240 W241 S246 I247 I248 | C17-L244 HydrophobicContact CB-CD1 4.25Å; C17-L244 HydrophobicContact CB-CD2 3.99Å; I21-L244 HydrophobicContact CD1-CD1 3.87Å; I21-L244 HydrophobicContact CG2-CD1 3.45Å; I21-L244 VanDerWaalsContact CG2-CD1 3.45Å; W240-L244 HydrophobicContact CE3-CB 4.4Å; W240-L244 HydrophobicContact CH2-CB 4.16Å; W240-L244 HydrophobicContact CH2-CD1 4.06Å; W240-L244 HydrophobicContact CH2-CD2 3.79Å; W240-L244 HydrophobicContact CH2-CG 4.21Å; W240-L244 HydrophobicContact CZ3-CB 4.05Å; W240-L244 HydrophobicContact CZ3-CD2 3.64Å; W240-L244 HydrophobicContact CZ3-CG 4.3Å; W240-L244 WeakPolarHBondContact O-CB 3.39Å; W240-L244 PolarHBondContact O-N 2.89Å; W241-L244 HydrophobicContact CE3-CD2 4.06Å; W241-L244 HydrophobicContact CZ3-CD2 4.23Å; W241-L244 PolarHBondContact O-N 2.78Å; L244-S246 PolarHBondContact O-N 3.34Å; L244-I247 PolarHBondContact O-N 2.91Å; L244-I248 HydrophobicContact CD1-CD1 4.15Å; L244-I248 HydrophobicContact CD1-CG1 4.45Å; L244-I248 HydrophobicContact CD2-CD1 4.34Å; L244-I248 HydrophobicContact CG-CD1 3.88Å; L244-I248 HydrophobicContact CG-CG1 4.5Å; L244-I248 WeakPolarHBondContact O-CG1 3.42Å; L244-I248 PolarHBondContact O-N 2.97Å |
| 245 | S | 98.1 | Very high | 97.2 | Very high | 41 Ų | 41 | 39.4 Ų | 39.4 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.8 | -31.3 | 179.5 | 83.2 | 0 | 0 | 0 | 0 | 112.4 | W241 D242 F243 H249 | W241-S245 VanDerWaalsContact O-CB 3.31Å; W241-S245 WeakPolarHBondContact O-CB 3.28Å; W241-S245 PolarHBondContact O-N 3.23Å; D242-S245 PolarHBondContact O-N 3.3Å; D242-S245 PolarHBondContact O-OG 2.95Å; F243-S245 VanDerWaalsContact C-N 3.31Å; F243-S245 PolarHBondContact O-N 3.26Å; S245-H249 VanDerWaalsContact O-CB 3.25Å; S245-H249 WeakPolarHBondContact O-CB 3.22Å; S245-H249 PolarHBondContact O-N 3.47Å |
| 246 | S | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71 | -41.1 | 177.4 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | I205 K229 D242 F243 L244 H249 Y250 | I205-S246 VanDerWaalsContact CD1-CB 3.49Å; K229-S246 WeakPolarHBondContact CG-OG 3.4Å; D242-S246 WeakPolarHBondContact O-CB 3.36Å; D242-S246 PolarHBondContact O-N 3.45Å; D242-S246 PolarHBondContact O-OG 3.46Å; F243-S246 WeakPolarHBondContact O-CA 3.45Å; F243-S246 VanDerWaalsContact O-CB 3.29Å; F243-S246 WeakPolarHBondContact O-CB 3.47Å; F243-S246 PolarHBondContact O-N 3.49Å; L244-S246 PolarHBondContact O-N 3.34Å; S246-H249 PolarHBondContact O-N 3.41Å; S246-Y250 PolarHBondContact O-N 2.95Å |
| 247 | I | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -43.7 | 175.8 | -56.3 | -54.7 | 0 | 0 | 0 | 111.2 | I26 P27 I69 I71 L203 F243 L244 H249 Y250 Q251 | I26-I247 HydrophobicContact CD1-CG2 4.37Å; P27-I247 HydrophobicContact CG-CD1 3.93Å; I69-I247 HydrophobicContact CD1-CD1 3.74Å; I69-I247 HydrophobicContact CD1-CG1 3.72Å; I69-I247 HydrophobicContact CD1-CG2 4.24Å; I71-I247 HydrophobicContact CD1-CD1 4.1Å; L203-I247 HydrophobicContact CD2-CD1 4.21Å; F243-I247 HydrophobicContact CE1-CG1 4.18Å; F243-I247 HydrophobicContact CE2-CD1 4.06Å; F243-I247 HydrophobicContact CE2-CG1 4.21Å; F243-I247 HydrophobicContact CZ-CD1 4.11Å; F243-I247 HydrophobicContact CZ-CG1 4.01Å; F243-I247 WeakPolarHBondContact O-CG1 3.47Å; F243-I247 PolarHBondContact O-N 3.45Å; F243-I247 VanDerWaalsContact O-N 3.07Å; L244-I247 PolarHBondContact O-N 2.91Å; I247-H249 VanDerWaalsContact C-N 3.31Å; I247-H249 PolarHBondContact O-N 3.45Å; I247-Y250 WeakPolarHBondContact O-CB 3.45Å; I247-Y250 PolarHBondContact O-N 3.38Å; I247-Q251 WeakPolarHBondContact O-CG 3.22Å; I247-Q251 PolarHBondContact O-N 2.9Å |
| 248 | I | 98 | Very high | 95.5 | Very high | 57 Ų | 57 | 45.8 Ų | 45.8 | 29% | 0.292 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 175.3 | -68.1 | 172.1 | 0 | 0 | 0 | 110.6 | I21 L244 Y250 Q251 M252 | I21-I248 HydrophobicContact CG2-CG1 4.28Å; L244-I248 HydrophobicContact CD1-CD1 4.15Å; L244-I248 HydrophobicContact CD1-CG1 4.45Å; L244-I248 HydrophobicContact CD2-CD1 4.34Å; L244-I248 HydrophobicContact CG-CD1 3.88Å; L244-I248 HydrophobicContact CG-CG1 4.5Å; L244-I248 WeakPolarHBondContact O-CG1 3.42Å; L244-I248 PolarHBondContact O-N 2.97Å; I248-Y250 VanDerWaalsContact C-N 3.35Å; I248-Y250 PolarHBondContact O-N 3.31Å; I248-Q251 PolarHBondContact O-N 3.42Å; I248-M252 HydrophobicContact CG2-CE 3.43Å; I248-M252 VanDerWaalsContact CG2-CE 3.43Å; I248-M252 HydrophobicContact CG2-CG 4.45Å; I248-M252 HydrophobicContact CG2-SD 4.01Å; I248-M252 WeakPolarHBondContact O-CG 3.3Å; I248-M252 PolarHBondContact O-N 3.17Å |
| 249 | H | 98.1 | Very high | 94.8 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 176.6 | -178.5 | 68.9 | 0 | 0 | 0 | 112.2 | Y228 K229 S245 S246 I247 S253 | Y228-H249 PolarHBondContact O-NE2 2.84Å; K229-H249 HydrophobicContact CD-CB 4.13Å; S245-H249 VanDerWaalsContact O-CB 3.25Å; S245-H249 WeakPolarHBondContact O-CB 3.22Å; S245-H249 PolarHBondContact O-N 3.47Å; S246-H249 PolarHBondContact O-N 3.41Å; I247-H249 VanDerWaalsContact C-N 3.31Å; I247-H249 PolarHBondContact O-N 3.45Å; H249-S253 VanDerWaalsContact O-CB 3.31Å; H249-S253 WeakPolarHBondContact O-CB 3.3Å; H249-S253 PolarHBondContact O-N 3.39Å; H249-S253 PolarHBondContact O-OG 2.97Å |
| 250 | Y | 98.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 171.9 | 169.7 | -95.8 | 0 | 0 | 0 | 111.3 | P25 P27 D202 L203 I227 S246 I247 I248 M252 S253 Y254 | P25-Y250 HydrophobicContact CB-CE1 4.31Å; P27-Y250 HydrophobicContact CB-CD1 4.07Å; P27-Y250 HydrophobicContact CB-CD2 4.19Å; P27-Y250 HydrophobicContact CB-CE1 3.87Å; P27-Y250 HydrophobicContact CB-CE2 4.03Å; P27-Y250 HydrophobicContact CB-CG 4.22Å; P27-Y250 HydrophobicContact CG-CD1 4.04Å; P27-Y250 HydrophobicContact CG-CE1 4.23Å; P27-Y250 HydrophobicContact CG-CG 4.27Å; D202-Y250 HydrophobicContact CB-CE2 3.74Å; L203-Y250 HydrophobicContact CB-CD2 4.13Å; I227-Y250 HydrophobicContact CB-CD2 4.23Å; I227-Y250 HydrophobicContact CD1-CD2 3.45Å; I227-Y250 VanDerWaalsContact CD1-CD2 3.45Å; I227-Y250 HydrophobicContact CD1-CE2 3.75Å; I227-Y250 HydrophobicContact CD1-CG 4.31Å; I227-Y250 HydrophobicContact CG1-CD2 4.4Å; S246-Y250 PolarHBondContact O-N 2.95Å; I247-Y250 WeakPolarHBondContact O-CB 3.45Å; I247-Y250 PolarHBondContact O-N 3.38Å; I248-Y250 VanDerWaalsContact C-N 3.35Å; I248-Y250 PolarHBondContact O-N 3.31Å; Y250-M252 PolarHBondContact O-N 3.5Å; Y250-S253 PolarHBondContact O-N 3.48Å; Y250-Y254 HydrophobicContact CE2-CD2 4.44Å; Y250-Y254 AromaticContact CZ-CD2 3.98Å; Y250-Y254 WeakPolarHBondContact O-CB 3.43Å; Y250-Y254 PolarHBondContact O-N 3.46Å |
| 251 | Q | 97.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | -179.2 | -74.1 | 178.4 | -11.7 | 0 | 0 | 112.5 | I21 P25 I247 I248 L255 | I21-Q251 PolarHBondContact O-NE2 3.12Å; P25-Q251 HydrophobicContact CG-CB 4.35Å; P25-Q251 HydrophobicContact CG-CG 4.03Å; P25-Q251 WeakPolarHBondContact O-CG 3.24Å; P25-Q251 PolarHBondContact O-NE2 3.13Å; P25-Q251 VanDerWaalsContact O-NE2 3.13Å; I247-Q251 WeakPolarHBondContact O-CG 3.22Å; I247-Q251 PolarHBondContact O-N 2.9Å; I248-Q251 PolarHBondContact O-N 3.42Å; Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.49Å; Q251-L255 PolarHBondContact O-N 3.41Å |
| 252 | M | 96.2 | Very high | 91.7 | Very high | 110 Ų | 110 | 52.5 Ų | 52.5 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 177.8 | -68.6 | 175.5 | 179.3 | 0 | 0 | 111.9 | I248 Y250 L255 Q256 | I248-M252 HydrophobicContact CG2-CE 3.43Å; I248-M252 VanDerWaalsContact CG2-CE 3.43Å; I248-M252 HydrophobicContact CG2-CG 4.45Å; I248-M252 HydrophobicContact CG2-SD 4.01Å; I248-M252 WeakPolarHBondContact O-CG 3.3Å; I248-M252 PolarHBondContact O-N 3.17Å; Y250-M252 PolarHBondContact O-N 3.5Å; M252-L255 PolarHBondContact O-N 3.28Å; M252-Q256 WeakPolarHBondContact O-CG 3.44Å; M252-Q256 PolarHBondContact O-N 2.94Å; M252-Q256 VanDerWaalsContact O-N 3.17Å |
| 253 | S | 95.7 | Very high | 90.7 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.6 | -38.8 | -178.5 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | H249 Y250 L255 Q256 L257 | H249-S253 VanDerWaalsContact O-CB 3.31Å; H249-S253 WeakPolarHBondContact O-CB 3.3Å; H249-S253 PolarHBondContact O-N 3.39Å; H249-S253 PolarHBondContact O-OG 2.97Å; Y250-S253 PolarHBondContact O-N 3.48Å; S253-L255 VanDerWaalsContact C-N 3.32Å; S253-L255 PolarHBondContact O-N 3.5Å; S253-Q256 PolarHBondContact O-N 2.93Å; S253-L257 WeakPolarHBondContact O-CB 3.4Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.31Å |
| 254 | Y | 92 | Very high | 89.5 | Confident | 86 Ų | 86 | 62.4 Ų | 62.4 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 175.2 | -179.4 | -87.3 | 0 | 0 | 0 | 110.9 | P25 Y250 Q256 L257 S258 | P25-Y254 HydrophobicContact CB-CD1 3.99Å; P25-Y254 HydrophobicContact CB-CE1 4.21Å; P25-Y254 HydrophobicContact CB-CG 4.41Å; P25-Y254 HydrophobicContact CG-CD1 3.71Å; P25-Y254 HydrophobicContact CG-CE1 4.33Å; P25-Y254 HydrophobicContact CG-CG 4.2Å; Y250-Y254 HydrophobicContact CE2-CD2 4.44Å; Y250-Y254 AromaticContact CZ-CD2 3.98Å; Y250-Y254 WeakPolarHBondContact O-CB 3.43Å; Y250-Y254 PolarHBondContact O-N 3.46Å; Y254-Q256 VanDerWaalsContact C-N 3.33Å; Y254-Q256 PolarHBondContact O-N 3.08Å; Y254-L257 PolarHBondContact O-N 2.96Å; Y254-S258 WeakPolarHBondContact CD1-OG 3.48Å; Y254-S258 VanDerWaalsContact CE1-OG 3.31Å; Y254-S258 WeakPolarHBondContact CE1-OG 3.42Å; Y254-S258 WeakPolarHBondContact O-CB 3.39Å; Y254-S258 PolarHBondContact O-N 2.94Å; Y254-S258 PolarHBondContact O-OG 2.9Å |
| 255 | L | 90.8 | Very high | 88 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 60% | 0.602 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.1 | -36.2 | 177.4 | -70.1 | 171.6 | 0 | 0 | 0 | 112.4 | Q251 M252 S253 | Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.49Å; Q251-L255 PolarHBondContact O-N 3.41Å; M252-L255 PolarHBondContact O-N 3.28Å; S253-L255 VanDerWaalsContact C-N 3.32Å; S253-L255 PolarHBondContact O-N 3.5Å |
| 256 | Q | 90.3 | Very high | 86.5 | Confident | 147 Ų | 147 | 73.1 Ų | 73.1 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.9 | -37.2 | 174.8 | -68.4 | 174.6 | 12.8 | 0 | 0 | 112.5 | M252 S253 Y254 P259 | M252-Q256 WeakPolarHBondContact O-CG 3.44Å; M252-Q256 PolarHBondContact O-N 2.94Å; M252-Q256 VanDerWaalsContact O-N 3.17Å; S253-Q256 PolarHBondContact O-N 2.93Å; Y254-Q256 VanDerWaalsContact C-N 3.33Å; Y254-Q256 PolarHBondContact O-N 3.08Å; Q256-P259 WeakPolarHBondContact O-CD 3.4Å |
| 257 | L | 87.4 | Confident | 84.8 | Confident | 60 Ų | 60 | 76.1 Ų | 76.1 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -83.6 | -22.7 | -179 | -67.7 | 173.4 | 0 | 0 | 0 | 113.2 | I227 S253 Y254 P259 L260 I261 | I227-L257 HydrophobicContact CD1-CD1 4.4Å; I227-L257 HydrophobicContact CG1-CD1 4.1Å; S253-L257 WeakPolarHBondContact O-CB 3.4Å; S253-L257 WeakPolarHBondContact O-CG 3.49Å; S253-L257 PolarHBondContact O-N 3.31Å; Y254-L257 PolarHBondContact O-N 2.96Å; L257-P259 VanDerWaalsContact C-CD 3.45Å; L257-P259 VanDerWaalsContact C-N 3.35Å; L257-L260 HydrophobicContact CD2-CD1 4.21Å; L257-L260 WeakPolarHBondContact O-CA 3.39Å; L257-L260 WeakPolarHBondContact O-CB 3.37Å; L257-L260 PolarHBondContact O-N 3.46Å; L257-I261 HydrophobicContact CB-CD1 3.85Å; L257-I261 HydrophobicContact CB-CG1 4.3Å; L257-I261 WeakPolarHBondContact O-CG1 3.32Å; L257-I261 PolarHBondContact O-N 3.48Å |
| 258 | S | 81.9 | Confident | 83 | Confident | 23 Ų | 23 | 81 Ų | 81 | 16% | 0.161 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -49.9 | -43.9 | -176 | -69.8 | 0 | 0 | 0 | 0 | 114.1 | Y254 L260 I261 N262 | Y254-S258 WeakPolarHBondContact CD1-OG 3.48Å; Y254-S258 VanDerWaalsContact CE1-OG 3.31Å; Y254-S258 WeakPolarHBondContact CE1-OG 3.42Å; Y254-S258 WeakPolarHBondContact O-CB 3.39Å; Y254-S258 PolarHBondContact O-N 2.94Å; Y254-S258 PolarHBondContact O-OG 2.9Å; S258-L260 VanDerWaalsContact C-N 3.34Å; S258-L260 PolarHBondContact O-N 3.19Å; S258-I261 PolarHBondContact O-N 3.38Å; S258-N262 WeakPolarHBondContact O-CB 3.4Å; S258-N262 PolarHBondContact O-N 3.39Å; S258-N262 PolarHBondContact O-ND2 2.98Å |
| 259 | P | 83 | Confident | 80.8 | Confident | 86 Ų | 86 | 84.7 Ų | 84.7 | 56% | 0.558 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.4 | -40.3 | 175.3 | -22.2 | 34.3 | 0 | 0 | 0 | 113 | Q256 L257 F263 | Q256-P259 WeakPolarHBondContact O-CD 3.4Å; L257-P259 VanDerWaalsContact C-CD 3.45Å; L257-P259 VanDerWaalsContact C-N 3.35Å; P259-F263 WeakPolarHBondContact O-CB 3.14Å; P259-F263 PolarHBondContact O-N 3.48Å |
| 260 | L | 79.4 | Confident | 78.2 | Confident | 105 Ų | 105 | 87 Ų | 87 | 55% | 0.55 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.8 | -41.9 | 179.2 | -63.4 | 171.6 | 0 | 0 | 0 | 111.7 | L257 S258 N262 F263 K264 | L257-L260 HydrophobicContact CD2-CD1 4.21Å; L257-L260 WeakPolarHBondContact O-CA 3.39Å; L257-L260 WeakPolarHBondContact O-CB 3.37Å; L257-L260 PolarHBondContact O-N 3.46Å; S258-L260 VanDerWaalsContact C-N 3.34Å; S258-L260 PolarHBondContact O-N 3.19Å; L260-N262 VanDerWaalsContact C-N 3.34Å; L260-F263 PolarHBondContact O-N 2.98Å; L260-K264 WeakPolarHBondContact O-CG 3.37Å; L260-K264 PolarHBondContact O-N 3.27Å |
| 261 | I | 73.1 | Confident | 75.7 | Confident | 29 Ų | 29 | 91.6 Ų | 91.6 | 15% | 0.149 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 177 | -66.9 | 168.3 | 0 | 0 | 0 | 109.9 | L257 S258 F263 K264 R265 | L257-I261 HydrophobicContact CB-CD1 3.85Å; L257-I261 HydrophobicContact CB-CG1 4.3Å; L257-I261 WeakPolarHBondContact O-CG1 3.32Å; L257-I261 PolarHBondContact O-N 3.48Å; S258-I261 PolarHBondContact O-N 3.38Å; I261-F263 PolarHBondContact O-N 3.34Å; I261-K264 PolarHBondContact O-N 3.3Å; I261-R265 WeakPolarHBondContact O-CG 3.44Å; I261-R265 PolarHBondContact O-N 3.02Å |
| 262 | N | 74.8 | Confident | 73.2 | Confident | 87 Ų | 87 | 94.1 Ų | 94.1 | 47% | 0.465 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.1 | -71.8 | -22.1 | 0 | 0 | 0 | 111.4 | S258 L260 R265 M266 | S258-N262 WeakPolarHBondContact O-CB 3.4Å; S258-N262 PolarHBondContact O-N 3.39Å; S258-N262 PolarHBondContact O-ND2 2.98Å; L260-N262 VanDerWaalsContact C-N 3.34Å; N262-R265 PolarHBondContact O-N 3.13Å; N262-M266 VanDerWaalsContact O-CG 3.31Å; N262-M266 WeakPolarHBondContact O-CG 2.81Å; N262-M266 PolarHBondContact O-N 3.5Å |
| 263 | F | 77.4 | Confident | 70.6 | Confident | 130 Ų | 130 | 90.7 Ų | 90.7 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.5 | -44.7 | 175.2 | -174.7 | -104.9 | 0 | 0 | 0 | 112.7 | P259 L260 I261 R265 M266 N267 | P259-F263 WeakPolarHBondContact O-CB 3.14Å; P259-F263 PolarHBondContact O-N 3.48Å; L260-F263 PolarHBondContact O-N 2.98Å; I261-F263 PolarHBondContact O-N 3.34Å; F263-R265 VanDerWaalsContact C-N 3.34Å; F263-R265 PolarHBondContact O-N 3.27Å; F263-M266 PolarHBondContact O-N 3.08Å; F263-N267 VanDerWaalsContact CD1-ND2 3.35Å; F263-N267 WeakPolarHBondContact CD1-ND2 3.34Å; F263-N267 WeakPolarHBondContact CE1-ND2 3.41Å; F263-N267 WeakPolarHBondContact CZ-ND2 3.38Å; F263-N267 PolarHBondContact O-N 3.17Å; F263-N267 PolarHBondContact O-ND2 3.13Å |
| 264 | K | 72.1 | Confident | 68.2 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 44% | 0.443 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 173.8 | -75.8 | -176 | -173 | 175.8 | 0 | 111.7 | D225 L260 I261 N267 N268 | D225-K264 IonicContact OD1-NZ 2.75Å; D225-K264 PolarHBondContact OD1-NZ 3.16Å; D225-K264 IonicContact OD2-NZ 2.84Å; D225-K264 PolarHBondContact OD2-NZ 3.37Å; L260-K264 WeakPolarHBondContact O-CG 3.37Å; L260-K264 PolarHBondContact O-N 3.27Å; I261-K264 PolarHBondContact O-N 3.3Å; K264-N267 PolarHBondContact O-N 3.43Å; K264-N268 WeakPolarHBondContact O-CB 3.33Å; K264-N268 PolarHBondContact O-N 3.19Å |
| 265 | R | 68 | Low | 66.2 | Low | 154 Ų | 154 | 95.2 Ų | 95.2 | 58% | 0.581 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 178.2 | -75.7 | 179 | 176.3 | 176.3 | -0 | 111.7 | I261 N262 F263 N268 H269 | I261-R265 WeakPolarHBondContact O-CG 3.44Å; I261-R265 PolarHBondContact O-N 3.02Å; N262-R265 PolarHBondContact O-N 3.13Å; F263-R265 VanDerWaalsContact C-N 3.34Å; F263-R265 PolarHBondContact O-N 3.27Å; R265-N268 PolarHBondContact O-N 2.87Å; R265-H269 PolarHBondContact O-CD2 2.75Å; R265-H269 PolarHBondContact O-N 2.93Å |
| 266 | M | 65.7 | Low | 64 | Low | 125 Ų | 125 | 94.9 Ų | 94.9 | 62% | 0.616 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.8 | -48.5 | 175.9 | -70.5 | 173.7 | 70.3 | 0 | 0 | 111.7 | N262 F263 N268 H269 D270 | N262-M266 VanDerWaalsContact O-CG 3.31Å; N262-M266 WeakPolarHBondContact O-CG 2.81Å; N262-M266 PolarHBondContact O-N 3.5Å; F263-M266 PolarHBondContact O-N 3.08Å; M266-N268 PolarHBondContact O-N 3.23Å; M266-H269 WeakPolarHBondContact O-CB 3.44Å; M266-H269 PolarHBondContact O-N 2.79Å; M266-H269 VanDerWaalsContact O-N 3.12Å; M266-D270 PolarHBondContact O-N 3.04Å |
| 267 | N | 63.3 | Low | 62.1 | Low | 62 Ų | 62 | 94.7 Ų | 94.7 | 33% | 0.332 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -34.1 | 179.3 | -69.3 | -36.5 | 0 | 0 | 0 | 113.6 | F263 K264 H269 D270 N271 | F263-N267 VanDerWaalsContact CD1-ND2 3.35Å; F263-N267 WeakPolarHBondContact CD1-ND2 3.34Å; F263-N267 WeakPolarHBondContact CE1-ND2 3.41Å; F263-N267 WeakPolarHBondContact CZ-ND2 3.38Å; F263-N267 PolarHBondContact O-N 3.17Å; F263-N267 PolarHBondContact O-ND2 3.13Å; K264-N267 PolarHBondContact O-N 3.43Å; N267-H269 VanDerWaalsContact C-N 3.31Å; N267-D270 PolarHBondContact O-N 3.37Å; N267-N271 PolarHBondContact O-N 2.98Å |
| 268 | N | 60.8 | Low | 60.4 | Low | 103 Ų | 103 | 98.6 Ų | 98.6 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -34.4 | 172.7 | -79.9 | -10.1 | 0 | 0 | 0 | 111.5 | K264 R265 M266 N272 | K264-N268 WeakPolarHBondContact O-CB 3.33Å; K264-N268 PolarHBondContact O-N 3.19Å; R265-N268 PolarHBondContact O-N 2.87Å; M266-N268 PolarHBondContact O-N 3.23Å; N268-N272 WeakPolarHBondContact O-CB 3.47Å; N268-N272 PolarHBondContact O-N 3.01Å; N268-N272 PolarHBondContact O-ND2 3.4Å |
| 269 | H | 50.7 | Low | 59 | Low | 135 Ų | 135 | 98.7 Ų | 98.7 | 63% | 0.625 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | 172.1 | -82.3 | -65.5 | 0 | 0 | 0 | 112.5 | R265 M266 N267 N272 G273 | R265-H269 PolarHBondContact O-CD2 2.75Å; R265-H269 PolarHBondContact O-N 2.93Å; M266-H269 WeakPolarHBondContact O-CB 3.44Å; M266-H269 PolarHBondContact O-N 2.79Å; M266-H269 VanDerWaalsContact O-N 3.12Å; N267-H269 VanDerWaalsContact C-N 3.31Å; H269-N272 CarbonylContact O-C 3.41Å; H269-N272 WeakPolarHBondContact O-CA 3.43Å; H269-N272 WeakPolarHBondContact O-CB 3.44Å; H269-N272 PolarHBondContact O-N 3.47Å; H269-N272 VanDerWaalsContact O-N 3.14Å; H269-G273 PolarHBondContact O-N 3.37Å |
| 270 | D | 44.7 | Very low | 57.8 | Low | 115 Ų | 115 | 102.8 Ų | 102.8 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.3 | -40.3 | 176.6 | -69.2 | -24.3 | 0 | 0 | 0 | 112.1 | M266 N267 N272 G273 | M266-D270 PolarHBondContact O-N 3.04Å; N267-D270 PolarHBondContact O-N 3.37Å; D270-N272 VanDerWaalsContact C-N 3.28Å; D270-N272 PolarHBondContact O-N 3.14Å; D270-G273 PolarHBondContact O-N 3.22Å; D270-G273 VanDerWaalsContact O-N 3.09Å |
| 271 | N | 45.2 | Very low | 57.6 | Low | 106 Ų | 106 | 100.1 Ų | 100.1 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -34.9 | 169.9 | -79 | -28.1 | 0 | 0 | 0 | 111.9 | N267 G273 V275 | N267-N271 PolarHBondContact O-N 2.98Å; N271-G273 VanDerWaalsContact C-N 3.28Å; N271-G273 PolarHBondContact O-N 3.28Å; N271-V275 PolarHBondContact O-N 2.97Å |
| 272 | N | 45.5 | Very low | 58.1 | Low | 79 Ų | 79 | 108.1 Ų | 108.1 | 42% | 0.422 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.7 | -17.9 | 173.6 | -74.6 | -21.4 | 0 | 0 | 0 | 113.3 | N268 H269 D270 V275 L276 | N268-N272 WeakPolarHBondContact O-CB 3.47Å; N268-N272 PolarHBondContact O-N 3.01Å; N268-N272 PolarHBondContact O-ND2 3.4Å; H269-N272 CarbonylContact O-C 3.41Å; H269-N272 WeakPolarHBondContact O-CA 3.43Å; H269-N272 WeakPolarHBondContact O-CB 3.44Å; H269-N272 PolarHBondContact O-N 3.47Å; H269-N272 VanDerWaalsContact O-N 3.14Å; D270-N272 VanDerWaalsContact C-N 3.28Å; D270-N272 PolarHBondContact O-N 3.14Å; N272-V275 CarbonylContact O-C 3.54Å; N272-V275 PolarHBondContact O-N 3.21Å; N272-L276 WeakPolarHBondContact O-CB 3.14Å; N272-L276 PolarHBondContact O-N 2.75Å |
| 273 | G | 40.7 | Very low | 58.6 | Low | 38 Ų | 38 | 110.7 Ų | 110.7 | 39% | 0.392 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.9 | -37.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | H269 D270 N271 | H269-G273 PolarHBondContact O-N 3.37Å; D270-G273 PolarHBondContact O-N 3.22Å; D270-G273 VanDerWaalsContact O-N 3.09Å; N271-G273 VanDerWaalsContact C-N 3.28Å; N271-G273 PolarHBondContact O-N 3.28Å |
| 274 | L | 46.2 | Very low | 59.1 | Low | 134 Ų | 134 | 108.7 Ų | 108.7 | 70% | 0.702 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.8 | -36.1 | 170.8 | -77 | 164.8 | 0 | 0 | 0 | 111.8 | ||
| 275 | V | 49.1 | Very low | 59.9 | Low | 65 Ų | 65 | 108.6 Ų | 108.6 | 39% | 0.394 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.6 | -33.6 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | N271 N272 N277 M278 V279 | N271-V275 PolarHBondContact O-N 2.97Å; N272-V275 CarbonylContact O-C 3.54Å; N272-V275 PolarHBondContact O-N 3.21Å; V275-N277 PolarHBondContact O-N 2.96Å; V275-M278 CarbonylContact O-C 3.59Å; V275-M278 WeakPolarHBondContact O-CA 3.12Å; V275-M278 WeakPolarHBondContact O-CB 3.32Å; V275-M278 PolarHBondContact O-N 3Å; V275-V279 HydrophobicContact CG1-CG2 3.79Å; V275-V279 WeakPolarHBondContact O-CG2 3.32Å; V275-V279 PolarHBondContact O-N 3.19Å |
| 276 | L | 45.9 | Very low | 61.1 | Low | 107 Ų | 107 | 102.9 Ų | 102.9 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -33.4 | -179.3 | -129.5 | 89.6 | 0 | 0 | 0 | 112.6 | N272 M278 V279 | N272-L276 WeakPolarHBondContact O-CB 3.14Å; N272-L276 PolarHBondContact O-N 2.75Å; L276-M278 VanDerWaalsContact C-N 3.26Å; L276-M278 PolarHBondContact O-N 2.82Å; L276-V279 PolarHBondContact O-N 3.43Å |
| 277 | N | 49.6 | Very low | 62.4 | Low | 143 Ų | 143 | 99.3 Ų | 99.3 | 77% | 0.765 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -20.4 | 173.3 | -73.7 | -23.4 | 0 | 0 | 0 | 112.7 | V275 | V275-N277 PolarHBondContact O-N 2.96Š|
| 278 | M | 51.4 | Low | 63.8 | Low | 142 Ų | 142 | 101 Ų | 101 | 70% | 0.7 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -21.8 | 171.4 | -70.3 | -177 | 165.2 | 0 | 0 | 113.8 | V275 L276 H280 S281 | V275-M278 CarbonylContact O-C 3.59Å; V275-M278 WeakPolarHBondContact O-CA 3.12Å; V275-M278 WeakPolarHBondContact O-CB 3.32Å; V275-M278 PolarHBondContact O-N 3Å; L276-M278 VanDerWaalsContact C-N 3.26Å; L276-M278 PolarHBondContact O-N 2.82Å; M278-H280 PolarHBondContact O-N 2.92Å; M278-H280 VanDerWaalsContact O-N 3.16Å; M278-S281 VanDerWaalsContact O-CB 3.26Å; M278-S281 WeakPolarHBondContact O-CB 3.47Å; M278-S281 PolarHBondContact O-N 3.33Å; M278-S281 PolarHBondContact O-OG 3.01Å |
| 279 | V | 53.3 | Low | 65.5 | Low | 26 Ų | 26 | 102.9 Ų | 102.9 | 16% | 0.158 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.2 | -177.7 | 160 | 0 | 0 | 0 | 0 | 113 | V275 L276 S281 Y284 | V275-V279 HydrophobicContact CG1-CG2 3.79Å; V275-V279 WeakPolarHBondContact O-CG2 3.32Å; V275-V279 PolarHBondContact O-N 3.19Å; L276-V279 PolarHBondContact O-N 3.43Å; V279-S281 VanDerWaalsContact C-N 3.32Å; V279-Y284 HydrophobicContact CB-CD1 4.31Å; V279-Y284 HydrophobicContact CB-CE1 4.36Å; V279-Y284 HydrophobicContact CG1-CD1 3.91Å; V279-Y284 HydrophobicContact CG1-CE1 3.67Å; V279-Y284 HydrophobicContact CG2-CD2 4.28Å; V279-Y284 HydrophobicContact CG2-CE1 4.33Å; V279-Y284 HydrophobicContact CG2-CE2 4.08Å; V279-Y284 HydrophobicContact CG2-CG 4.49Å; V279-Y284 WeakPolarHBondContact O-CD1 3.38Å |
| 280 | H | 56.5 | Low | 67.7 | Low | 171 Ų | 171 | 99.4 Ų | 99.4 | 79% | 0.792 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 13.7 | 173.7 | -77 | 66.6 | 0 | 0 | 0 | 114.1 | M278 | M278-H280 PolarHBondContact O-N 2.92Å; M278-H280 VanDerWaalsContact O-N 3.16Å |
| 281 | S | 75.6 | Confident | 70.2 | Confident | 49 Ų | 49 | 95 Ų | 95 | 34% | 0.343 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -78.3 | 145.6 | 172.4 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | M278 V279 E283 Y284 E285 | M278-S281 VanDerWaalsContact O-CB 3.26Å; M278-S281 WeakPolarHBondContact O-CB 3.47Å; M278-S281 PolarHBondContact O-N 3.33Å; M278-S281 PolarHBondContact O-OG 3.01Å; V279-S281 VanDerWaalsContact C-N 3.32Å; S281-E283 PolarHBondContact O-N 3.47Å; S281-E283 VanDerWaalsContact O-N 3.07Å; S281-Y284 PolarHBondContact O-N 3.38Å; S281-Y284 VanDerWaalsContact O-N 3.12Å; S281-Y284 PolarHBondContact OG-N 3.11Å; S281-E285 PolarHBondContact O-N 2.96Å |
| 282 | K | 83.9 | Confident | 72.7 | Confident | 198 Ų | 198 | 93.6 Ų | 93.6 | 86% | 0.861 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -53.5 | -27.5 | 171.6 | -71.3 | -178 | 176.2 | 179.7 | 0 | 112.6 | A286 | K282-A286 WeakPolarHBondContact O-CB 3.41Å; K282-A286 PolarHBondContact O-N 3Å; K282-A286 VanDerWaalsContact O-N 3.12Å |
| 283 | E | 85.6 | Confident | 75.2 | Confident | 140 Ų | 140 | 93.6 Ų | 93.6 | 65% | 0.654 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.1 | -41.1 | 179.5 | -172.9 | 170.7 | -169.1 | 0 | 0 | 112.6 | S281 A286 H287 | S281-E283 PolarHBondContact O-N 3.47Å; S281-E283 VanDerWaalsContact O-N 3.07Å; E283-A286 PolarHBondContact O-N 2.95Å; E283-H287 WeakPolarHBondContact O-CB 3.25Å; E283-H287 PolarHBondContact O-N 2.89Å |
| 284 | Y | 86.7 | Confident | 77.9 | Confident | 89 Ų | 89 | 91.9 Ų | 91.9 | 35% | 0.349 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 176.4 | 178.9 | -98.4 | 0 | 0 | 0 | 112 | V279 S281 A286 H287 K288 | V279-Y284 HydrophobicContact CB-CD1 4.31Å; V279-Y284 HydrophobicContact CB-CE1 4.36Å; V279-Y284 HydrophobicContact CG1-CD1 3.91Å; V279-Y284 HydrophobicContact CG1-CE1 3.67Å; V279-Y284 HydrophobicContact CG2-CD2 4.28Å; V279-Y284 HydrophobicContact CG2-CE1 4.33Å; V279-Y284 HydrophobicContact CG2-CE2 4.08Å; V279-Y284 HydrophobicContact CG2-CG 4.49Å; V279-Y284 WeakPolarHBondContact O-CD1 3.38Å; S281-Y284 PolarHBondContact O-N 3.38Å; S281-Y284 VanDerWaalsContact O-N 3.12Å; S281-Y284 PolarHBondContact OG-N 3.11Å; Y284-A286 VanDerWaalsContact C-N 3.34Å; Y284-A286 PolarHBondContact O-N 3.48Å; Y284-H287 WeakPolarHBondContact O-CB 3.48Å; Y284-H287 PolarHBondContact O-N 3.4Å; Y284-K288 WeakPolarHBondContact O-CB 3.39Å; Y284-K288 PolarHBondContact O-N 3.5Å |
| 285 | E | 90.5 | Very high | 80.3 | Confident | 100 Ų | 100 | 87 Ų | 87 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 175.7 | -71.7 | -57.4 | 142.8 | 0 | 0 | 111.8 | S281 H287 K288 Q289 | S281-E285 PolarHBondContact O-N 2.96Å; E285-H287 PolarHBondContact O-N 2.88Å; E285-K288 PolarHBondContact O-N 2.92Å; E285-Q289 WeakPolarHBondContact O-CB 3.34Å; E285-Q289 PolarHBondContact O-N 3.33Å |
| 286 | A | 92.3 | Very high | 82.6 | Confident | 34 Ų | 34 | 88.5 Ų | 88.5 | 28% | 0.281 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K282 E283 Y284 Q289 R290 | K282-A286 WeakPolarHBondContact O-CB 3.41Å; K282-A286 PolarHBondContact O-N 3Å; K282-A286 VanDerWaalsContact O-N 3.12Å; E283-A286 PolarHBondContact O-N 2.95Å; Y284-A286 VanDerWaalsContact C-N 3.34Å; Y284-A286 PolarHBondContact O-N 3.48Å; A286-Q289 PolarHBondContact O-N 2.96Å; A286-R290 WeakPolarHBondContact O-CG 3.23Å; A286-R290 PolarHBondContact O-N 3.37Å; A286-R290 PolarHBondContact O-NH1 3.44Å |
| 287 | H | 93 | Very high | 85.1 | Confident | 49 Ų | 49 | 87.2 Ų | 87.2 | 23% | 0.227 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.8 | -54.7 | 173.3 | 168.8 | 76.6 | 0 | 0 | 0 | 111 | D183 E283 Y284 E285 Q289 R290 I291 | D183-H287 IonicContact OD1-CE1 3.13Å; D183-H287 IonicContact OD1-CG 2.71Å; D183-H287 IonicContact OD1-ND1 2.89Å; D183-H287 PolarHBondContact OD1-ND1 3.42Å; E283-H287 WeakPolarHBondContact O-CB 3.25Å; E283-H287 PolarHBondContact O-N 2.89Å; Y284-H287 WeakPolarHBondContact O-CB 3.48Å; Y284-H287 PolarHBondContact O-N 3.4Å; E285-H287 PolarHBondContact O-N 2.88Å; H287-Q289 VanDerWaalsContact C-N 3.27Å; H287-Q289 PolarHBondContact O-N 2.98Å; H287-R290 PolarHBondContact O-N 3.09Å; H287-R290 VanDerWaalsContact O-N 3.11Å; H287-I291 WeakPolarHBondContact O-CG1 3.36Å; H287-I291 PolarHBondContact O-N 3.39Å |
| 288 | K | 93.8 | Very high | 87.3 | Confident | 97 Ų | 97 | 81.8 Ų | 81.8 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 179.4 | -174 | 179.6 | 176.6 | -172.8 | 0 | 112.2 | Y284 E285 N292 | Y284-K288 WeakPolarHBondContact O-CB 3.39Å; Y284-K288 PolarHBondContact O-N 3.5Å; E285-K288 PolarHBondContact O-N 2.92Å; K288-N292 WeakPolarHBondContact O-CB 3.42Å; K288-N292 VanDerWaalsContact O-CG 3.25Å; K288-N292 PolarHBondContact O-N 2.89Å; K288-N292 PolarHBondContact O-ND2 3.08Å |
| 289 | Q | 95.7 | Very high | 89.5 | Confident | 144 Ų | 144 | 77.2 Ų | 77.2 | 67% | 0.673 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.4 | -45.5 | 176.3 | -172.8 | 178.5 | 4.3 | 0 | 0 | 112.1 | E285 A286 H287 N292 S293 | E285-Q289 WeakPolarHBondContact O-CB 3.34Å; E285-Q289 PolarHBondContact O-N 3.33Å; A286-Q289 PolarHBondContact O-N 2.96Å; H287-Q289 VanDerWaalsContact C-N 3.27Å; H287-Q289 PolarHBondContact O-N 2.98Å; Q289-N292 PolarHBondContact O-N 3.3Å; Q289-S293 VanDerWaalsContact O-CB 3.32Å; Q289-S293 WeakPolarHBondContact O-CB 3.29Å; Q289-S293 PolarHBondContact O-N 3.39Å |
| 290 | R | 96.9 | Very high | 91.5 | Very high | 61 Ų | 61 | 81.9 Ų | 81.9 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 176 | -74.7 | -170.8 | -56 | -87 | 1.5 | 111.5 | D183 A286 H287 N292 S293 F294 | D183-R290 IonicContact OD1-CZ 3.69Å; D183-R290 IonicContact OD1-NE 3.53Å; D183-R290 PolarHBondContact OD1-NE 3.44Å; D183-R290 IonicContact OD1-NH2 3.86Å; D183-R290 PolarHBondContact OD1-NH2 2.85Å; D183-R290 IonicContact OD2-CZ 2.72Å; D183-R290 IonicContact OD2-NE 3.76Å; D183-R290 PolarHBondContact OD2-NE 2.82Å; D183-R290 IonicContact OD2-NH2 2.87Å; A286-R290 WeakPolarHBondContact O-CG 3.23Å; A286-R290 PolarHBondContact O-N 3.37Å; A286-R290 PolarHBondContact O-NH1 3.44Å; H287-R290 PolarHBondContact O-N 3.09Å; H287-R290 VanDerWaalsContact O-N 3.11Å; R290-N292 PolarHBondContact O-N 3.04Å; R290-S293 PolarHBondContact O-N 3.24Å; R290-F294 VanDerWaalsContact O-CB 3.31Å; R290-F294 WeakPolarHBondContact O-CB 3.48Å; R290-F294 PolarHBondContact O-N 3.12Å |
| 291 | I | 96.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 75.5 Ų | 75.5 | 11% | 0.113 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.9 | -51.5 | 178 | -65.2 | -51.5 | 0 | 0 | 0 | 110.9 | I179 D183 L188 H287 S293 F294 L295 | I179-I291 HydrophobicContact CG2-CD1 4.18Å; D183-I291 HydrophobicContact CB-CD1 3.75Å; L188-I291 HydrophobicContact CD1-CD1 3.95Å; L188-I291 HydrophobicContact CD1-CG2 4.46Å; L188-I291 HydrophobicContact CD2-CD1 3.83Å; L188-I291 HydrophobicContact CG-CD1 4.34Å; H287-I291 WeakPolarHBondContact O-CG1 3.36Å; H287-I291 PolarHBondContact O-N 3.39Å; I291-S293 VanDerWaalsContact C-N 3.33Å; I291-S293 PolarHBondContact O-N 3.07Å; I291-F294 PolarHBondContact O-N 3.19Å; I291-L295 HydrophobicContact CG2-CD1 3.91Å; I291-L295 HydrophobicContact CG2-CG 4.24Å; I291-L295 WeakPolarHBondContact O-CG 3.28Å; I291-L295 PolarHBondContact O-N 3.3Å |
| 292 | N | 97 | Very high | 94.4 | Very high | 78 Ų | 78 | 75.6 Ų | 75.6 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | -179.7 | -72.8 | -24 | 0 | 0 | 0 | 112.1 | K288 Q289 R290 F294 L295 N296 | K288-N292 WeakPolarHBondContact O-CB 3.42Å; K288-N292 VanDerWaalsContact O-CG 3.25Å; K288-N292 PolarHBondContact O-N 2.89Å; K288-N292 PolarHBondContact O-ND2 3.08Å; Q289-N292 PolarHBondContact O-N 3.3Å; R290-N292 PolarHBondContact O-N 3.04Å; N292-F294 VanDerWaalsContact C-N 3.32Å; N292-F294 PolarHBondContact O-N 2.87Å; N292-L295 PolarHBondContact O-N 3.1Å; N292-N296 WeakPolarHBondContact O-CB 3.31Å; N292-N296 PolarHBondContact O-N 3.43Å; N292-N296 PolarHBondContact O-ND2 3.24Å |
| 293 | S | 98 | Very high | 95 | Very high | 78 Ų | 78 | 68.9 Ų | 68.9 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.4 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | Q289 R290 I291 Y297 | Q289-S293 VanDerWaalsContact O-CB 3.32Å; Q289-S293 WeakPolarHBondContact O-CB 3.29Å; Q289-S293 PolarHBondContact O-N 3.39Å; R290-S293 PolarHBondContact O-N 3.24Å; I291-S293 VanDerWaalsContact C-N 3.33Å; I291-S293 PolarHBondContact O-N 3.07Å; S293-Y297 WeakPolarHBondContact O-CB 3.42Å; S293-Y297 PolarHBondContact O-N 3.26Å |
| 294 | F | 98.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 1% | 0.013 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.7 | -46.2 | 177.5 | 177.8 | -122.2 | 0 | 0 | 0 | 112.2 | I169 K178 I179 L188 R290 I291 N292 N296 Y297 L298 | I169-F294 HydrophobicContact CG2-CE1 4.42Å; I169-F294 HydrophobicContact CG2-CZ 3.84Å; K178-F294 HydrophobicContact CB-CD2 3.75Å; K178-F294 HydrophobicContact CB-CE2 4.44Å; K178-F294 HydrophobicContact CB-CG 4.49Å; K178-F294 HydrophobicContact CD-CD2 3.99Å; K178-F294 HydrophobicContact CD-CE2 4.37Å; I179-F294 HydrophobicContact CD1-CD1 4.2Å; I179-F294 HydrophobicContact CD1-CE1 3.89Å; I179-F294 HydrophobicContact CD1-CZ 4.2Å; I179-F294 HydrophobicContact CG2-CB 3.61Å; I179-F294 HydrophobicContact CG2-CD1 3.7Å; I179-F294 HydrophobicContact CG2-CD2 4.34Å; I179-F294 HydrophobicContact CG2-CE1 4.44Å; I179-F294 HydrophobicContact CG2-CG 3.62Å; L188-F294 HydrophobicContact CD1-CD1 4.12Å; L188-F294 HydrophobicContact CD1-CE1 4.27Å; R290-F294 VanDerWaalsContact O-CB 3.31Å; R290-F294 WeakPolarHBondContact O-CB 3.48Å; R290-F294 PolarHBondContact O-N 3.12Å; I291-F294 PolarHBondContact O-N 3.19Å; N292-F294 VanDerWaalsContact C-N 3.32Å; N292-F294 PolarHBondContact O-N 2.87Å; F294-N296 VanDerWaalsContact C-N 3.33Å; F294-N296 PolarHBondContact O-N 3Å; F294-Y297 HydrophobicContact CD2-CD1 4.37Å; F294-Y297 HydrophobicContact CE2-CD1 4.49Å; F294-Y297 WeakPolarHBondContact O-CB 3.5Å; F294-Y297 PolarHBondContact O-N 3.14Å; F294-Y297 VanDerWaalsContact O-N 3.13Å; F294-L298 HydrophobicContact CD1-CD1 4.23Å; F294-L298 HydrophobicContact CD2-CG 4.4Å; F294-L298 HydrophobicContact CE1-CD1 3.74Å; F294-L298 HydrophobicContact CE1-CG 4.35Å; F294-L298 HydrophobicContact CE2-CD1 4.3Å; F294-L298 HydrophobicContact CE2-CD2 3.9Å; F294-L298 HydrophobicContact CE2-CG 4.06Å; F294-L298 HydrophobicContact CZ-CD1 3.79Å; F294-L298 HydrophobicContact CZ-CD2 3.98Å; F294-L298 HydrophobicContact CZ-CG 4.05Å; F294-L298 WeakPolarHBondContact O-CG 3.49Å; F294-L298 PolarHBondContact O-N 3.26Å |
| 295 | L | 97.5 | Very high | 96.1 | Very high | 31 Ų | 31 | 67.2 Ų | 67.2 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 177 | -65.4 | -179.7 | 0 | 0 | 0 | 111.9 | L188 K191 I291 N292 Y297 L298 D299 | L188-L295 HydrophobicContact CD1-CD2 4.3Å; K191-L295 HydrophobicContact CB-CD1 4.12Å; K191-L295 HydrophobicContact CB-CD2 3.74Å; K191-L295 HydrophobicContact CG-CD1 4.23Å; I291-L295 HydrophobicContact CG2-CD1 3.91Å; I291-L295 HydrophobicContact CG2-CG 4.24Å; I291-L295 WeakPolarHBondContact O-CG 3.28Å; I291-L295 PolarHBondContact O-N 3.3Å; N292-L295 PolarHBondContact O-N 3.1Å; L295-Y297 VanDerWaalsContact C-N 3.31Å; L295-Y297 PolarHBondContact O-N 3.47Å; L295-L298 HydrophobicContact CD2-CD1 4.3Å; L295-L298 PolarHBondContact O-N 3.34Å; L295-D299 PolarHBondContact O-N 3.43Å |
| 296 | N | 97.5 | Very high | 96.5 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 173.3 | -74.3 | -22 | 0 | 0 | 0 | 112 | N292 F294 D299 Q300 | N292-N296 WeakPolarHBondContact O-CB 3.31Å; N292-N296 PolarHBondContact O-N 3.43Å; N292-N296 PolarHBondContact O-ND2 3.24Å; F294-N296 VanDerWaalsContact C-N 3.33Å; F294-N296 PolarHBondContact O-N 3Å; N296-D299 PolarHBondContact O-N 3.33Å; N296-Q300 VanDerWaalsContact O-CG 3.31Å; N296-Q300 WeakPolarHBondContact O-CG 3.22Å; N296-Q300 PolarHBondContact O-N 3.49Å |
| 297 | Y | 97.3 | Very high | 96.7 | Very high | 80 Ų | 80 | 65.2 Ų | 65.2 | 31% | 0.314 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 174.4 | 166.1 | -97.3 | 0 | 0 | 0 | 111.3 | K178 S293 F294 L295 D299 Q300 T301 | K178-Y297 HydrophobicContact CD-CD1 3.53Å; K178-Y297 HydrophobicContact CD-CD2 4.41Å; K178-Y297 HydrophobicContact CD-CE1 3.74Å; K178-Y297 HydrophobicContact CD-CG 3.9Å; K178-Y297 VanDerWaalsContact CE-CE1 3.42Å; K178-Y297 VanDerWaalsContact CE-CZ 3.47Å; S293-Y297 WeakPolarHBondContact O-CB 3.42Å; S293-Y297 PolarHBondContact O-N 3.26Å; F294-Y297 HydrophobicContact CD2-CD1 4.37Å; F294-Y297 HydrophobicContact CE2-CD1 4.49Å; F294-Y297 WeakPolarHBondContact O-CB 3.5Å; F294-Y297 PolarHBondContact O-N 3.14Å; F294-Y297 VanDerWaalsContact O-N 3.13Å; L295-Y297 VanDerWaalsContact C-N 3.31Å; L295-Y297 PolarHBondContact O-N 3.47Å; Y297-D299 VanDerWaalsContact C-N 3.34Å; Y297-D299 PolarHBondContact O-N 2.91Å; Y297-Q300 PolarHBondContact O-N 3.41Å; Y297-T301 PolarHBondContact O-N 2.96Å; Y297-T301 PolarHBondContact O-OG1 3.35Å |
| 298 | L | 96.8 | Very high | 97 | Very high | 29 Ų | 29 | 68.2 Ų | 68.2 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 177.3 | -65.4 | -179.1 | 0 | 0 | 0 | 112.2 | I169 F294 L295 T301 F302 | I169-L298 HydrophobicContact CG2-CD1 3.61Å; I169-L298 HydrophobicContact CG2-CD2 3.64Å; I169-L298 HydrophobicContact CG2-CG 4.29Å; F294-L298 HydrophobicContact CD1-CD1 4.23Å; F294-L298 HydrophobicContact CD2-CG 4.4Å; F294-L298 HydrophobicContact CE1-CD1 3.74Å; F294-L298 HydrophobicContact CE1-CG 4.35Å; F294-L298 HydrophobicContact CE2-CD1 4.3Å; F294-L298 HydrophobicContact CE2-CD2 3.9Å; F294-L298 HydrophobicContact CE2-CG 4.06Å; F294-L298 HydrophobicContact CZ-CD1 3.79Å; F294-L298 HydrophobicContact CZ-CD2 3.98Å; F294-L298 HydrophobicContact CZ-CG 4.05Å; F294-L298 WeakPolarHBondContact O-CG 3.49Å; F294-L298 PolarHBondContact O-N 3.26Å; L295-L298 HydrophobicContact CD2-CD1 4.3Å; L295-L298 PolarHBondContact O-N 3.34Å; L298-T301 PolarHBondContact O-N 3.01Å; L298-F302 WeakPolarHBondContact O-CB 3.15Å; L298-F302 PolarHBondContact O-N 2.94Å |
| 299 | D | 96 | Very high | 97.1 | Very high | 46 Ų | 46 | 66 Ų | 66 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | 178.1 | -78.7 | -18.1 | 0 | 0 | 0 | 111.9 | R196 L295 N296 Y297 F302 W303 | R196-D299 IonicContact CZ-OD1 2.62Å; R196-D299 VanDerWaalsContact CZ-OD1 3.27Å; R196-D299 IonicContact NE-OD1 2.67Å; R196-D299 PolarHBondContact NE-OD1 3.4Å; R196-D299 IonicContact NH2-OD1 3.58Å; R196-D299 PolarHBondContact NH2-OD1 2.91Å; L295-D299 PolarHBondContact O-N 3.43Å; N296-D299 PolarHBondContact O-N 3.33Å; Y297-D299 VanDerWaalsContact C-N 3.34Å; Y297-D299 PolarHBondContact O-N 2.91Å; D299-F302 PolarHBondContact O-N 3.04Å; D299-W303 PolarHBondContact O-N 2.93Å |
| 300 | Q | 97 | Very high | 97.2 | Very high | 124 Ų | 124 | 60 Ų | 60 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.2 | -49.2 | 175.3 | -74.1 | 176.3 | -1 | 0 | 0 | 111.6 | N296 Y297 F302 W303 Q304 | N296-Q300 VanDerWaalsContact O-CG 3.31Å; N296-Q300 WeakPolarHBondContact O-CG 3.22Å; N296-Q300 PolarHBondContact O-N 3.49Å; Y297-Q300 PolarHBondContact O-N 3.41Å; Q300-F302 VanDerWaalsContact C-N 3.32Å; Q300-F302 PolarHBondContact O-N 3.27Å; Q300-W303 PolarHBondContact O-N 3.38Å; Q300-Q304 WeakPolarHBondContact O-CB 3.36Å; Q300-Q304 VanDerWaalsContact O-CG 3.26Å; Q300-Q304 WeakPolarHBondContact O-CG 3.45Å; Q300-Q304 PolarHBondContact O-N 3.37Å |
| 301 | T | 96.3 | Very high | 96.9 | Very high | 37 Ų | 37 | 64.8 Ų | 64.8 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | Y297 L298 Q304 N305 | Y297-T301 PolarHBondContact O-N 2.96Å; Y297-T301 PolarHBondContact O-OG1 3.35Å; L298-T301 PolarHBondContact O-N 3.01Å; T301-Q304 PolarHBondContact O-N 2.76Å; T301-N305 VanDerWaalsContact O-CG 3.3Å; T301-N305 PolarHBondContact O-N 2.93Å; T301-N305 PolarHBondContact O-ND2 2.76Å |
| 302 | F | 96.2 | Very high | 96.9 | Very high | 50 Ų | 50 | 66.9 Ų | 66.9 | 22% | 0.219 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.1 | -51.9 | 176.7 | 177.9 | -96.2 | 0 | 0 | 0 | 111.5 | M140 L298 D299 Q300 Q304 N305 M306 | M140-F302 HydrophobicContact CE-CE1 3.76Å; M140-F302 HydrophobicContact CE-CZ 3.47Å; M140-F302 VanDerWaalsContact CE-CZ 3.47Å; L298-F302 WeakPolarHBondContact O-CB 3.15Å; L298-F302 PolarHBondContact O-N 2.94Å; D299-F302 PolarHBondContact O-N 3.04Å; Q300-F302 VanDerWaalsContact C-N 3.32Å; Q300-F302 PolarHBondContact O-N 3.27Å; F302-Q304 PolarHBondContact O-N 2.89Å; F302-N305 PolarHBondContact O-N 3.03Å; F302-M306 HydrophobicContact CD1-CG 4.24Å; F302-M306 HydrophobicContact CE1-CG 3.73Å; F302-M306 HydrophobicContact CE1-SD 4.4Å; F302-M306 HydrophobicContact CE2-CE 4Å; F302-M306 HydrophobicContact CE2-CG 4.47Å; F302-M306 HydrophobicContact CE2-SD 4.37Å; F302-M306 HydrophobicContact CZ-CE 4.15Å; F302-M306 HydrophobicContact CZ-CG 3.84Å; F302-M306 HydrophobicContact CZ-SD 3.91Å; F302-M306 WeakPolarHBondContact O-CG 3.19Å; F302-M306 PolarHBondContact O-N 3.22Å |
| 303 | W | 96.7 | Very high | 96.9 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.6 | -30.7 | -179.2 | -70.7 | 118 | 0 | 0 | 0 | 113.2 | M140 L141 R144 D299 Q300 M306 N307 | M140-W303 HydrophobicContact CB-CZ3 4.32Å; M140-W303 HydrophobicContact CE-CH2 4.42Å; L141-W303 HydrophobicContact CD2-CE3 3.7Å; L141-W303 HydrophobicContact CD2-CZ3 4.05Å; L141-W303 HydrophobicContact CG-CZ3 4.48Å; R144-W303 HydrophobicContact CB-CH2 3.44Å; R144-W303 VanDerWaalsContact CB-CH2 3.44Å; R144-W303 HydrophobicContact CB-CZ2 3.84Å; R144-W303 HydrophobicContact CB-CZ3 4.07Å; R144-W303 HydrophobicContact CG-CH2 4.44Å; D299-W303 PolarHBondContact O-N 2.93Å; Q300-W303 PolarHBondContact O-N 3.38Å; W303-M306 HydrophobicContact CE3-CB 4.1Å; W303-M306 HydrophobicContact CE3-CG 4.01Å; W303-M306 HydrophobicContact CZ3-CG 4.25Å; W303-M306 PolarHBondContact O-N 3.45Å; W303-N307 PolarHBondContact O-N 3.05Å; W303-N307 PolarHBondContact O-ND2 3.32Å |
| 304 | Q | 97.8 | Very high | 96.8 | Very high | 116 Ų | 116 | 65.7 Ų | 65.7 | 54% | 0.542 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 169.7 | -75.9 | 171.2 | -11.2 | 0 | 0 | 111.1 | Q300 T301 F302 M306 N307 I308 | Q300-Q304 WeakPolarHBondContact O-CB 3.36Å; Q300-Q304 VanDerWaalsContact O-CG 3.26Å; Q300-Q304 WeakPolarHBondContact O-CG 3.45Å; Q300-Q304 PolarHBondContact O-N 3.37Å; T301-Q304 PolarHBondContact O-N 2.76Å; F302-Q304 PolarHBondContact O-N 2.89Å; Q304-M306 VanDerWaalsContact C-N 3.33Å; Q304-M306 PolarHBondContact O-N 3.23Å; Q304-N307 PolarHBondContact O-N 3.49Å; Q304-N307 VanDerWaalsContact O-N 3.16Å; Q304-I308 WeakPolarHBondContact O-CG1 3.24Å; Q304-I308 PolarHBondContact O-N 3.03Å; Q304-I308 VanDerWaalsContact O-N 3.11Å |
| 305 | N | 97.2 | Very high | 96.7 | Very high | 78 Ų | 78 | 69.4 Ų | 69.4 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.3 | -69.7 | -17.8 | 0 | 0 | 0 | 112.2 | T301 F302 N307 I308 L309 | T301-N305 VanDerWaalsContact O-CG 3.3Å; T301-N305 PolarHBondContact O-N 2.93Å; T301-N305 PolarHBondContact O-ND2 2.76Å; F302-N305 PolarHBondContact O-N 3.03Å; N305-N307 VanDerWaalsContact C-N 3.32Å; N305-N307 PolarHBondContact O-N 2.85Å; N305-I308 PolarHBondContact O-N 2.9Å; N305-L309 WeakPolarHBondContact O-CG 3.42Å; N305-L309 PolarHBondContact O-N 2.56Å |
| 306 | M | 97.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 71.8 Ų | 71.8 | 3% | 0.034 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 174.7 | -66.1 | -55 | 99.4 | 0 | 0 | 111.7 | L125 A137 M140 L141 F302 W303 Q304 I308 L309 A310 | L125-M306 HydrophobicContact CD1-CE 3.9Å; L125-M306 HydrophobicContact CD1-SD 4.21Å; A137-M306 HydrophobicContact CB-CB 4.4Å; A137-M306 WeakPolarHBondContact CB-O 3.5Å; A137-M306 HydrophobicContact CB-SD 4.03Å; M140-M306 HydrophobicContact SD-SD 4.31Å; L141-M306 HydrophobicContact CD1-CB 4.32Å; L141-M306 HydrophobicContact CD2-CB 4.2Å; L141-M306 HydrophobicContact CG-CB 4.12Å; F302-M306 HydrophobicContact CD1-CG 4.24Å; F302-M306 HydrophobicContact CE1-CG 3.73Å; F302-M306 HydrophobicContact CE1-SD 4.4Å; F302-M306 HydrophobicContact CE2-CE 4Å; F302-M306 HydrophobicContact CE2-CG 4.47Å; F302-M306 HydrophobicContact CE2-SD 4.37Å; F302-M306 HydrophobicContact CZ-CE 4.15Å; F302-M306 HydrophobicContact CZ-CG 3.84Å; F302-M306 HydrophobicContact CZ-SD 3.91Å; F302-M306 WeakPolarHBondContact O-CG 3.19Å; F302-M306 PolarHBondContact O-N 3.22Å; W303-M306 HydrophobicContact CE3-CB 4.1Å; W303-M306 HydrophobicContact CE3-CG 4.01Å; W303-M306 HydrophobicContact CZ3-CG 4.25Å; W303-M306 PolarHBondContact O-N 3.45Å; Q304-M306 VanDerWaalsContact C-N 3.33Å; Q304-M306 PolarHBondContact O-N 3.23Å; M306-I308 VanDerWaalsContact C-N 3.32Å; M306-I308 PolarHBondContact O-N 3.34Å; M306-L309 HydrophobicContact CE-CD1 3.78Å; M306-L309 PolarHBondContact O-N 3.32Å; M306-A310 WeakPolarHBondContact O-CB 3.39Å; M306-A310 PolarHBondContact O-N 3.11Å |
| 307 | N | 97.9 | Very high | 96.6 | Very high | 86 Ų | 86 | 70.1 Ų | 70.1 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 175.1 | -74.5 | -67.4 | 0 | 0 | 0 | 112.2 | W303 Q304 N305 | W303-N307 PolarHBondContact O-N 3.05Å; W303-N307 PolarHBondContact O-ND2 3.32Å; Q304-N307 PolarHBondContact O-N 3.49Å; Q304-N307 VanDerWaalsContact O-N 3.16Å; N305-N307 VanDerWaalsContact C-N 3.32Å; N305-N307 PolarHBondContact O-N 2.85Å |
| 308 | I | 97.8 | Very high | 96.6 | Very high | 112 Ų | 112 | 69.4 Ų | 69.4 | 57% | 0.574 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69.3 | -42.4 | 176.9 | -64.3 | 165.6 | 0 | 0 | 0 | 111.3 | Q304 N305 M306 A310 T311 | Q304-I308 WeakPolarHBondContact O-CG1 3.24Å; Q304-I308 PolarHBondContact O-N 3.03Å; Q304-I308 VanDerWaalsContact O-N 3.11Å; N305-I308 PolarHBondContact O-N 2.9Å; M306-I308 VanDerWaalsContact C-N 3.32Å; M306-I308 PolarHBondContact O-N 3.34Å; I308-A310 VanDerWaalsContact C-N 3.29Å; I308-A310 PolarHBondContact O-N 3.41Å; I308-T311 PolarHBondContact O-OG1 3.41Å |
| 309 | L | 97.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 72.5 Ų | 72.5 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.8 | -30.9 | 178.5 | -71.1 | 176.4 | 0 | 0 | 0 | 112.2 | L125 Q133 S134 A137 N305 M306 T311 | L125-L309 HydrophobicContact CD1-CD1 4.42Å; Q133-L309 HydrophobicContact CB-CD2 4.35Å; S134-L309 WeakPolarHBondContact CA-O 3.36Å; S134-L309 WeakPolarHBondContact CB-O 3.5Å; S134-L309 PolarHBondContact OG-O 2.92Å; S134-L309 VanDerWaalsContact OG-O 3.12Å; A137-L309 HydrophobicContact CB-CB 3.67Å; N305-L309 WeakPolarHBondContact O-CG 3.42Å; N305-L309 PolarHBondContact O-N 2.56Å; M306-L309 HydrophobicContact CE-CD1 3.78Å; M306-L309 PolarHBondContact O-N 3.32Å; L309-T311 VanDerWaalsContact C-N 3.3Å; L309-T311 PolarHBondContact O-N 3.05Å |
| 310 | A | 96.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 74.7 Ų | 74.7 | 15% | 0.149 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.6 | -22.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | S134 A137 Q138 L141 M306 I308 | S134-A310 PolarHBondContact OG-O 2.99Å; A137-A310 HydrophobicContact CB-CB 4.12Å; Q138-A310 HydrophobicContact CG-CB 3.68Å; Q138-A310 PolarHBondContact NE2-O 2.8Å; L141-A310 HydrophobicContact CD1-CB 3.7Å; M306-A310 WeakPolarHBondContact O-CB 3.39Å; M306-A310 PolarHBondContact O-N 3.11Å; I308-A310 VanDerWaalsContact C-N 3.29Å; I308-A310 PolarHBondContact O-N 3.41Å |
| 311 | T | 90.9 | Very high | 96.6 | Very high | 162 Ų | 162 | 70.2 Ų | 70.2 | 99% | 0.994 | 37% | 0.372 | S | S | * | . | trans | -81.1 | 0 | 175.4 | 58.1 | 0 | 0 | 0 | 0 | 112 | I308 L309 | I308-T311 PolarHBondContact O-OG1 3.41Å; L309-T311 VanDerWaalsContact C-N 3.3Å; L309-T311 PolarHBondContact O-N 3.05Å |
Retrieved 311 of 311 residues in 138.3 ms
(Link to these results)