| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.6 | Very low | 78.3 | Confident | 237 Ų | 237 | 75.3 Ų | 75.3 | 100% | 1.167 | 43% | 0.428 | S | S | * | . | 0 | 119.5 | 0 | -77.4 | -169.7 | -103.5 | 0 | 0 | 106.7 | T3 | M1-T3 PolarHBondContact O-N 3.21Š| |||
| 2 | A | 44.6 | Very low | 79.5 | Confident | 99 Ų | 99 | 81.9 Ų | 81.9 | 82% | 0.818 | 45% | 0.453 | S | S | * | . | trans | -57.7 | 128.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | N4 | A2-N4 PolarHBondContact O-N 3.33Š| ||
| 3 | T | 63.2 | Low | 80.6 | Confident | 38 Ų | 38 | 87.9 Ų | 87.9 | 23% | 0.233 | 48% | 0.475 | C | S | . | . | trans | -69.9 | 81.7 | 174.7 | 34.5 | 0 | 0 | 0 | 0 | 108.6 | M1 W5 L56 E175 Y472 | M1-T3 PolarHBondContact O-N 3.21Å; T3-W5 HydrophobicContact CG2-CH2 4.41Å; T3-L56 VanDerWaalsContact O-CD1 3.3Å; T3-L56 WeakPolarHBondContact O-CD1 3.32Å; T3-E175 HydrophobicContact CG2-CG 4.33Å; T3-Y472 HydrophobicContact CG2-CE1 4.05Å | ||
| 4 | N | 83.6 | Confident | 81.6 | Confident | 101 Ų | 101 | 86.6 Ų | 86.6 | 54% | 0.54 | 47% | 0.465 | S | S | . | . | trans | -98.4 | 116.1 | 170.5 | -173.4 | -13.2 | 0 | 0 | 0 | 108.4 | A2 G6 S7 | A2-N4 PolarHBondContact O-N 3.33Å; N4-G6 VanDerWaalsContact C-N 3.27Å; N4-G6 PolarHBondContact O-N 3.22Å; N4-G6 PolarHBondContact OD1-N 2.63Å; N4-S7 PolarHBondContact O-OG 2.91Å; N4-S7 VanDerWaalsContact O-OG 3.13Å | ||
| 5 | W | 91.5 | Very high | 82.5 | Confident | 8 Ų | 8 | 82.1 Ų | 82.1 | 3% | 0.03 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -68.9 | -28.1 | 177.9 | -52.5 | 132.4 | 0 | 0 | 0 | 112.3 | T3 S7 L8 L9 F53 P54 L56 L167 Y472 | T3-W5 HydrophobicContact CG2-CH2 4.41Å; W5-S7 PolarHBondContact O-N 2.88Å; W5-S7 VanDerWaalsContact O-N 3.11Å; W5-L8 HydrophobicContact CE3-CD1 4Å; W5-L8 HydrophobicContact CZ3-CD1 4.43Å; W5-L8 WeakPolarHBondContact O-CB 3.22Å; W5-L8 PolarHBondContact O-N 3.13Å; W5-L9 WeakPolarHBondContact O-CG 3.18Å; W5-F53 HydrophobicContact CB-CB 4.28Å; W5-F53 HydrophobicContact CB-CD2 4.08Å; W5-F53 HydrophobicContact CB-CG 4.3Å; W5-F53 HydrophobicContact CD2-CB 3.8Å; W5-F53 HydrophobicContact CD2-CD1 4.43Å; W5-F53 HydrophobicContact CD2-CG 4.09Å; W5-F53 HydrophobicContact CE3-CB 4.3Å; W5-F53 HydrophobicContact CE3-CD1 4.07Å; W5-F53 HydrophobicContact CE3-CG 4.15Å; W5-F53 HydrophobicContact CG-CB 3.76Å; W5-F53 HydrophobicContact CG-CD2 4.42Å; W5-F53 HydrophobicContact CG-CG 4.16Å; W5-F53 HydrophobicContact CZ3-CD1 4.41Å; W5-P54 HydrophobicContact CZ2-CG 4.13Å; W5-P54 WeakPolarHBondContact CZ2-O 3.32Å; W5-P54 PolarHBondContact NE1-O 3.28Å; W5-L56 HydrophobicContact CZ2-CD2 4Å; W5-L167 HydrophobicContact CH2-CD2 4.12Å; W5-L167 HydrophobicContact CZ3-CD2 3.86Å; W5-Y472 HydrophobicContact CH2-CD2 4.38Å; W5-Y472 HydrophobicContact CH2-CE2 4.25Å; W5-Y472 HydrophobicContact CZ2-CD1 4.37Å; W5-Y472 HydrophobicContact CZ2-CD2 4.11Å; W5-Y472 HydrophobicContact CZ2-CE2 4.4Å; W5-Y472 HydrophobicContact CZ2-CG 4.07Å |
| 6 | G | 87.4 | Confident | 83.3 | Confident | 5 Ų | 5 | 85 Ų | 85 | 5% | 0.052 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -56 | -32.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | N4 L8 L9 Q10 E407 | N4-G6 VanDerWaalsContact C-N 3.27Å; N4-G6 PolarHBondContact O-N 3.22Å; N4-G6 PolarHBondContact OD1-N 2.63Å; G6-L8 VanDerWaalsContact C-N 3.26Å; G6-L8 PolarHBondContact O-N 3.3Å; G6-L9 PolarHBondContact O-N 2.86Å; G6-Q10 WeakPolarHBondContact O-CG 3.11Å; G6-Q10 PolarHBondContact O-NE2 2.82Å; G6-Q10 VanDerWaalsContact O-NE2 3.09Å; G6-E407 VanDerWaalsContact CA-OE1 3.31Å; G6-E407 WeakPolarHBondContact CA-OE1 3.39Å |
| 7 | S | 89.8 | Confident | 84.1 | Confident | 87 Ų | 87 | 84.1 Ų | 84.1 | 61% | 0.608 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -67 | -26.3 | 175.6 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | N4 W5 L9 | N4-S7 PolarHBondContact O-OG 2.91Å; N4-S7 VanDerWaalsContact O-OG 3.13Å; W5-S7 PolarHBondContact O-N 2.88Å; W5-S7 VanDerWaalsContact O-N 3.11Å; S7-L9 VanDerWaalsContact C-N 3.32Å |
| 8 | L | 90.2 | Very high | 84.9 | Confident | 28 Ų | 28 | 79.6 Ų | 79.6 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -85.2 | -9.6 | 178.9 | -57.1 | 173.9 | 0 | 0 | 0 | 112.5 | W5 G6 Q14 F53 L170 K172 | W5-L8 HydrophobicContact CE3-CD1 4Å; W5-L8 HydrophobicContact CZ3-CD1 4.43Å; W5-L8 WeakPolarHBondContact O-CB 3.22Å; W5-L8 PolarHBondContact O-N 3.13Å; G6-L8 VanDerWaalsContact C-N 3.26Å; G6-L8 PolarHBondContact O-N 3.3Å; L8-Q14 PolarHBondContact O-NE2 3.47Å; L8-F53 HydrophobicContact CB-CE2 4.18Å; L8-F53 HydrophobicContact CB-CZ 4Å; L8-F53 HydrophobicContact CD1-CE1 3.97Å; L8-F53 HydrophobicContact CD1-CE2 4.48Å; L8-F53 HydrophobicContact CD1-CZ 3.85Å; L8-L170 HydrophobicContact CD1-CD1 4Å; L8-K172 HydrophobicContact CD1-CD 4.28Å |
| 9 | L | 91.9 | Very high | 85.6 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 4% | 0.042 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -98.4 | -4.5 | -174.8 | -63.2 | 175.6 | 0 | 0 | 0 | 113.3 | W5 G6 S7 L15 L52 F53 E407 C409 V419 | W5-L9 WeakPolarHBondContact O-CG 3.18Å; G6-L9 PolarHBondContact O-N 2.86Å; S7-L9 VanDerWaalsContact C-N 3.32Å; L9-L15 HydrophobicContact CD2-CD1 3.7Å; L9-L52 HydrophobicContact CD2-CD2 4.14Å; L9-F53 HydrophobicContact CD2-CD2 4.11Å; L9-F53 HydrophobicContact CD2-CE2 3.68Å; L9-F53 HydrophobicContact CG-CE2 4.33Å; L9-E407 HydrophobicContact CD1-CG 4.13Å; L9-C409 HydrophobicContact CD1-CB 4.47Å; L9-C409 HydrophobicContact CD2-CB 3.69Å; L9-V419 HydrophobicContact CB-CG1 4.03Å; L9-V419 HydrophobicContact CB-CG2 4.04Å; L9-V419 HydrophobicContact CD1-CG1 4.01Å; L9-V419 HydrophobicContact CD2-CG2 4.33Å |
| 10 | Q | 88.9 | Confident | 86.2 | Confident | 136 Ų | 136 | 79.2 Ų | 79.2 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -82.9 | -20.7 | -175.9 | -56.1 | -57.2 | -54.3 | 0 | 0 | 114.1 | G6 E407 | G6-Q10 WeakPolarHBondContact O-CG 3.11Å; G6-Q10 PolarHBondContact O-NE2 2.82Å; G6-Q10 VanDerWaalsContact O-NE2 3.09Å; Q10-E407 PolarHBondContact NE2-OE1 3.43Å |
| 11 | D | 93 | Very high | 86.8 | Confident | 81 Ų | 81 | 78.3 Ų | 78.3 | 43% | 0.433 | 40% | 0.402 | S | S | . | . | trans | -93.4 | 107.6 | 176.8 | -179.8 | -16 | 0 | 0 | 0 | 109.6 | Q13 Q14 L15 | D11-Q13 PolarHBondContact O-N 3.29Å; D11-Q13 PolarHBondContact OD1-N 3.39Å; D11-Q14 HydrophobicContact CB-CB 3.89Å; D11-Q14 PolarHBondContact O-N 3.15Å; D11-Q14 PolarHBondContact OD1-N 3.5Å; D11-L15 VanDerWaalsContact O-CB 3.3Å; D11-L15 WeakPolarHBondContact O-CB 3.32Å; D11-L15 PolarHBondContact O-N 2.99Å | ||
| 12 | E | 92.4 | Very high | 89.8 | Confident | 155 Ų | 155 | 67 Ų | 67 | 72% | 0.724 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61 | -40.5 | -177.4 | -67.2 | -177.5 | 168.5 | 0 | 0 | 113 | L15 E16 | E12-L15 PolarHBondContact O-N 3.26Å; E12-E16 WeakPolarHBondContact O-CG 3.42Å; E12-E16 PolarHBondContact O-N 3.23Å |
| 13 | Q | 94 | Very high | 92.3 | Very high | 160 Ų | 160 | 63.4 Ų | 63.4 | 75% | 0.748 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.8 | -42 | -178.7 | -68.1 | -176.2 | -1.8 | 0 | 0 | 110.8 | D11 L15 E17 | D11-Q13 PolarHBondContact O-N 3.29Å; D11-Q13 PolarHBondContact OD1-N 3.39Å; Q13-L15 VanDerWaalsContact C-N 3.34Å; Q13-E17 PolarHBondContact O-N 2.81Å |
| 14 | Q | 94.6 | Very high | 94 | Very high | 70 Ų | 70 | 66.3 Ų | 66.3 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 174.1 | -171.7 | -176.6 | -91.3 | 0 | 0 | 111.1 | L8 D11 E17 L18 | L8-Q14 PolarHBondContact O-NE2 3.47Å; D11-Q14 HydrophobicContact CB-CB 3.89Å; D11-Q14 PolarHBondContact O-N 3.15Å; D11-Q14 PolarHBondContact OD1-N 3.5Å; Q14-E17 PolarHBondContact O-N 3.22Å; Q14-L18 HydrophobicContact CG-CD1 4.03Å; Q14-L18 HydrophobicContact CG-CG 4.32Å; Q14-L18 WeakPolarHBondContact O-CB 3.43Å; Q14-L18 VanDerWaalsContact O-CG 3.27Å; Q14-L18 WeakPolarHBondContact O-CG 3.43Å; Q14-L18 PolarHBondContact O-N 3.27Å |
| 15 | L | 95.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 179.6 | 178.3 | 62.8 | 0 | 0 | 0 | 112 | L9 D11 E12 Q13 E17 L18 A19 L52 C409 V419 | L9-L15 HydrophobicContact CD2-CD1 3.7Å; D11-L15 VanDerWaalsContact O-CB 3.3Å; D11-L15 WeakPolarHBondContact O-CB 3.32Å; D11-L15 PolarHBondContact O-N 2.99Å; E12-L15 PolarHBondContact O-N 3.26Å; Q13-L15 VanDerWaalsContact C-N 3.34Å; L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 PolarHBondContact O-N 3.02Å; L15-L18 PolarHBondContact O-N 2.97Å; L15-A19 WeakPolarHBondContact O-CB 3.39Å; L15-A19 PolarHBondContact O-N 3.37Å; L15-L52 HydrophobicContact CD1-CD2 3.55Å; L15-C409 HydrophobicContact CD1-CB 4.27Å; L15-V419 HydrophobicContact CD2-CG2 3.55Å |
| 16 | E | 95.2 | Very high | 95.1 | Very high | 128 Ų | 128 | 64.7 Ų | 64.7 | 60% | 0.598 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.1 | -43 | 177.6 | -76.1 | -176.2 | 176.4 | 0 | 0 | 112.1 | E12 A19 R20 | E12-E16 WeakPolarHBondContact O-CG 3.42Å; E12-E16 PolarHBondContact O-N 3.23Å; E16-A19 PolarHBondContact O-N 3.09Å; E16-R20 PolarHBondContact O-N 2.91Å; E16-R20 VanDerWaalsContact O-N 3.08Å |
| 17 | E | 97.4 | Very high | 95.7 | Very high | 69 Ų | 69 | 67.4 Ų | 67.4 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 177.2 | 178.4 | 54.8 | -153.7 | 0 | 0 | 111.6 | Q13 Q14 L15 A19 R20 Q21 | Q13-E17 PolarHBondContact O-N 2.81Å; Q14-E17 PolarHBondContact O-N 3.22Å; L15-E17 VanDerWaalsContact C-N 3.34Å; L15-E17 PolarHBondContact O-N 3.02Å; E17-A19 VanDerWaalsContact C-N 3.32Å; E17-A19 PolarHBondContact O-N 3.06Å; E17-R20 WeakPolarHBondContact O-CB 3.36Å; E17-R20 PolarHBondContact O-N 3.06Å; E17-R20 IonicContact OE2-CZ 3.19Å; E17-R20 IonicContact OE2-NH1 2.72Å; E17-R20 PolarHBondContact OE2-NH1 3Å; E17-Q21 VanDerWaalsContact O-CG 3.27Å; E17-Q21 WeakPolarHBondContact O-CG 3.42Å; E17-Q21 PolarHBondContact O-N 2.87Å; E17-Q21 WeakPolarHBondContact OE1-CG 3.31Å; E17-Q21 PolarHBondContact OE1-NE2 3.21Å |
| 18 | L | 98.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 177 | -71.6 | 175.2 | 0 | 0 | 0 | 112.2 | Q14 L15 R20 Q21 A22 L52 F53 V166 V169 L170 | Q14-L18 HydrophobicContact CG-CD1 4.03Å; Q14-L18 HydrophobicContact CG-CG 4.32Å; Q14-L18 WeakPolarHBondContact O-CB 3.43Å; Q14-L18 VanDerWaalsContact O-CG 3.27Å; Q14-L18 WeakPolarHBondContact O-CG 3.43Å; Q14-L18 PolarHBondContact O-N 3.27Å; L15-L18 PolarHBondContact O-N 2.97Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-Q21 PolarHBondContact O-N 3.32Å; L18-A22 VanDerWaalsContact O-CB 3.25Å; L18-A22 WeakPolarHBondContact O-CB 3.41Å; L18-A22 PolarHBondContact O-N 2.84Å; L18-L52 HydrophobicContact CB-CD1 4.2Å; L18-L52 HydrophobicContact CB-CD2 4.2Å; L18-F53 HydrophobicContact CD1-CZ 4.08Å; L18-V166 HydrophobicContact CD2-CG1 4.34Å; L18-V169 HydrophobicContact CD2-CB 4.29Å; L18-V169 HydrophobicContact CD2-CG1 3.85Å; L18-L170 HydrophobicContact CD1-CD1 3.98Å; L18-L170 HydrophobicContact CD1-CD2 4.1Å; L18-L170 HydrophobicContact CD1-CG 4.24Å; L18-L170 HydrophobicContact CD2-CD1 4.35Å; L18-L170 HydrophobicContact CD2-CD2 4.07Å; L18-L170 HydrophobicContact CD2-CG 3.89Å |
| 19 | A | 98.3 | Very high | 96.5 | Very high | 11 Ų | 11 | 69.1 Ų | 69.1 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L15 E16 E17 A22 V23 L411 A417 | L15-A19 WeakPolarHBondContact O-CB 3.39Å; L15-A19 PolarHBondContact O-N 3.37Å; E16-A19 PolarHBondContact O-N 3.09Å; E17-A19 VanDerWaalsContact C-N 3.32Å; E17-A19 PolarHBondContact O-N 3.06Å; A19-A22 PolarHBondContact O-N 2.76Å; A19-V23 WeakPolarHBondContact O-CB 3.45Å; A19-V23 VanDerWaalsContact O-CG2 3.28Å; A19-V23 WeakPolarHBondContact O-CG2 3.2Å; A19-V23 PolarHBondContact O-N 2.95Å; A19-L411 HydrophobicContact CB-CD2 3.78Å; A19-A417 HydrophobicContact CB-CB 4.17Å |
| 20 | R | 98.3 | Very high | 96.8 | Very high | 140 Ų | 140 | 69.4 Ų | 69.4 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 175.5 | -164.4 | -176.5 | -60.3 | 136.5 | -0.1 | 111.6 | E16 E17 L18 A22 V23 D24 | E16-R20 PolarHBondContact O-N 2.91Å; E16-R20 VanDerWaalsContact O-N 3.08Å; E17-R20 WeakPolarHBondContact O-CB 3.36Å; E17-R20 PolarHBondContact O-N 3.06Å; E17-R20 IonicContact OE2-CZ 3.19Å; E17-R20 IonicContact OE2-NH1 2.72Å; E17-R20 PolarHBondContact OE2-NH1 3Å; L18-R20 VanDerWaalsContact C-N 3.34Å; R20-A22 VanDerWaalsContact C-N 3.3Å; R20-A22 PolarHBondContact O-N 2.79Å; R20-V23 PolarHBondContact O-N 3.32Å; R20-D24 PolarHBondContact O-N 3.1Å |
| 21 | Q | 98.7 | Very high | 97.3 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 29% | 0.285 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.5 | -43.2 | 175.7 | -70 | -72.7 | -19.3 | 0 | 0 | 112.2 | E17 L18 R25 H165 V169 | E17-Q21 VanDerWaalsContact O-CG 3.27Å; E17-Q21 WeakPolarHBondContact O-CG 3.42Å; E17-Q21 PolarHBondContact O-N 2.87Å; E17-Q21 WeakPolarHBondContact OE1-CG 3.31Å; E17-Q21 PolarHBondContact OE1-NE2 3.21Å; L18-Q21 PolarHBondContact O-N 3.32Å; Q21-R25 VanDerWaalsContact O-CB 3.3Å; Q21-R25 WeakPolarHBondContact O-CB 3.46Å; Q21-R25 PolarHBondContact O-N 3.04Å; Q21-R25 VanDerWaalsContact O-N 3.17Å; Q21-H165 PolarHBondContact OE1-NE2 3.03Å; Q21-V169 HydrophobicContact CB-CG2 4.46Å; Q21-V169 HydrophobicContact CG-CG1 4.46Å; Q21-V169 HydrophobicContact CG-CG2 4.29Å |
| 22 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.2 | -46.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L18 A19 R20 R25 A26 F50 L52 V162 V166 L411 | L18-A22 VanDerWaalsContact O-CB 3.25Å; L18-A22 WeakPolarHBondContact O-CB 3.41Å; L18-A22 PolarHBondContact O-N 2.84Å; A19-A22 PolarHBondContact O-N 2.76Å; R20-A22 VanDerWaalsContact C-N 3.3Å; R20-A22 PolarHBondContact O-N 2.79Å; A22-R25 PolarHBondContact O-N 2.84Å; A22-A26 VanDerWaalsContact O-CB 3.28Å; A22-A26 WeakPolarHBondContact O-CB 3.2Å; A22-A26 PolarHBondContact O-N 2.83Å; A22-F50 HydrophobicContact CB-CE2 3.88Å; A22-F50 HydrophobicContact CB-CZ 3.82Å; A22-L52 HydrophobicContact CB-CD1 3.66Å; A22-V162 HydrophobicContact CB-CG1 4.47Å; A22-V166 HydrophobicContact CB-CG2 3.55Å; A22-L411 HydrophobicContact CB-CD1 3.86Å |
| 23 | V | 98.8 | Very high | 97.9 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -50.1 | -179.1 | 164.6 | 0 | 0 | 0 | 0 | 111 | A19 R20 R25 A26 L27 Y47 L411 | A19-V23 WeakPolarHBondContact O-CB 3.45Å; A19-V23 VanDerWaalsContact O-CG2 3.28Å; A19-V23 WeakPolarHBondContact O-CG2 3.2Å; A19-V23 PolarHBondContact O-N 2.95Å; R20-V23 PolarHBondContact O-N 3.32Å; V23-R25 VanDerWaalsContact C-N 3.3Å; V23-R25 PolarHBondContact O-N 3.24Å; V23-A26 WeakPolarHBondContact O-CB 3.28Å; V23-A26 PolarHBondContact O-N 3.39Å; V23-A26 VanDerWaalsContact O-N 3.16Å; V23-L27 HydrophobicContact CG1-CD1 4.14Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 3.01Å; V23-Y47 HydrophobicContact CB-CD1 4.47Å; V23-Y47 HydrophobicContact CB-CE1 4.35Å; V23-Y47 HydrophobicContact CG1-CD1 3.58Å; V23-Y47 HydrophobicContact CG1-CE1 3.53Å; V23-Y47 HydrophobicContact CG1-CG 4.43Å; V23-Y47 HydrophobicContact CG2-CD1 4.26Å; V23-Y47 HydrophobicContact CG2-CE1 3.84Å; V23-Y47 HydrophobicContact CG2-CE2 4.21Å; V23-L411 HydrophobicContact CG2-CD1 4.37Å |
| 24 | D | 98.8 | Very high | 98.1 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 53% | 0.529 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.7 | -39.8 | -178.6 | -71.1 | -10.5 | 0 | 0 | 0 | 111 | R20 L27 A28 | R20-D24 PolarHBondContact O-N 3.1Å; D24-L27 PolarHBondContact O-N 2.94Å; D24-A28 WeakPolarHBondContact O-CB 3.28Å; D24-A28 PolarHBondContact O-N 3.27Å |
| 25 | R | 98.9 | Very high | 98.2 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 174.5 | -175.9 | 61.8 | -179.4 | -93.5 | 3.3 | 112.3 | Q21 A22 V23 L27 A28 E29 V162 H165 | Q21-R25 VanDerWaalsContact O-CB 3.3Å; Q21-R25 WeakPolarHBondContact O-CB 3.46Å; Q21-R25 PolarHBondContact O-N 3.04Å; Q21-R25 VanDerWaalsContact O-N 3.17Å; A22-R25 PolarHBondContact O-N 2.84Å; V23-R25 VanDerWaalsContact C-N 3.3Å; V23-R25 PolarHBondContact O-N 3.24Å; R25-L27 VanDerWaalsContact C-N 3.33Å; R25-L27 PolarHBondContact O-N 2.95Å; R25-A28 PolarHBondContact O-N 2.69Å; R25-E29 HydrophobicContact CG-CG 4.28Å; R25-E29 IonicContact CZ-OE1 3.39Å; R25-E29 IonicContact NE-OE1 3.07Å; R25-E29 PolarHBondContact NE-OE1 3.43Å; R25-E29 IonicContact NH2-OE1 3.7Å; R25-E29 PolarHBondContact NH2-OE1 2.81Å; R25-E29 VanDerWaalsContact O-CG 3.3Å; R25-E29 WeakPolarHBondContact O-CG 3.49Å; R25-E29 PolarHBondContact O-N 3.43Å; R25-V162 HydrophobicContact CG-CG2 4.37Å; R25-H165 HydrophobicContact CB-CB 4.29Å; R25-H165 HydrophobicContact CG-CB 3.72Å; R25-H165 PolarHBondContact NH1-ND1 2.81Å |
| 26 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A22 V23 E29 G30 V31 F50 V162 | A22-A26 VanDerWaalsContact O-CB 3.28Å; A22-A26 WeakPolarHBondContact O-CB 3.2Å; A22-A26 PolarHBondContact O-N 2.83Å; V23-A26 WeakPolarHBondContact O-CB 3.28Å; V23-A26 PolarHBondContact O-N 3.39Å; V23-A26 VanDerWaalsContact O-N 3.16Å; A26-E29 PolarHBondContact O-N 2.83Å; A26-G30 PolarHBondContact O-N 3.38Å; A26-V31 HydrophobicContact CB-CB 4.11Å; A26-V31 HydrophobicContact CB-CG2 4.42Å; A26-V31 WeakPolarHBondContact O-CB 3.43Å; A26-V31 PolarHBondContact O-N 3.23Å; A26-F50 HydrophobicContact CB-CD1 4.44Å; A26-F50 HydrophobicContact CB-CE1 3.77Å; A26-F50 HydrophobicContact CB-CZ 3.82Å; A26-V162 HydrophobicContact CB-CG1 4.14Å; A26-V162 HydrophobicContact CB-CG2 3.93Å |
| 27 | L | 98.8 | Very high | 98.2 | Very high | 62 Ų | 62 | 48 Ų | 48 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 174.2 | -67.4 | 170.1 | 0 | 0 | 0 | 111.4 | V23 D24 R25 E29 G30 L32 Y47 | V23-L27 HydrophobicContact CG1-CD1 4.14Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 3.01Å; D24-L27 PolarHBondContact O-N 2.94Å; R25-L27 VanDerWaalsContact C-N 3.33Å; R25-L27 PolarHBondContact O-N 2.95Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 3.33Å; L27-G30 PolarHBondContact O-N 3.29Å; L27-L32 HydrophobicContact CD2-CD2 3.54Å; L27-Y47 HydrophobicContact CD2-CD1 4.45Å |
| 28 | A | 98.8 | Very high | 98.2 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 69% | 0.694 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63 | -34.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | D24 R25 G30 | D24-A28 WeakPolarHBondContact O-CB 3.28Å; D24-A28 PolarHBondContact O-N 3.27Å; R25-A28 PolarHBondContact O-N 2.69Å; A28-G30 PolarHBondContact O-N 2.93Å |
| 29 | E | 98.8 | Very high | 98.2 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.8 | 175.6 | -64.3 | -67.8 | 171.1 | 0 | 0 | 113 | R25 A26 L27 V31 R158 A161 V162 | R25-E29 HydrophobicContact CG-CG 4.28Å; R25-E29 IonicContact CZ-OE1 3.39Å; R25-E29 IonicContact NE-OE1 3.07Å; R25-E29 PolarHBondContact NE-OE1 3.43Å; R25-E29 IonicContact NH2-OE1 3.7Å; R25-E29 PolarHBondContact NH2-OE1 2.81Å; R25-E29 VanDerWaalsContact O-CG 3.3Å; R25-E29 WeakPolarHBondContact O-CG 3.49Å; R25-E29 PolarHBondContact O-N 3.43Å; A26-E29 PolarHBondContact O-N 2.83Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 3.33Å; E29-V31 HydrophobicContact CB-CG2 4.47Å; E29-R158 VanDerWaalsContact O-CD 3.3Å; E29-R158 WeakPolarHBondContact O-CD 3.32Å; E29-A161 HydrophobicContact CG-CB 3.88Å; E29-A161 WeakPolarHBondContact OE1-CB 3.42Å; E29-V162 HydrophobicContact CG-CG2 4.45Å |
| 30 | G | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 26.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A26 L27 A28 L32 R158 | A26-G30 PolarHBondContact O-N 3.38Å; L27-G30 PolarHBondContact O-N 3.29Å; A28-G30 PolarHBondContact O-N 2.93Å; G30-L32 PolarHBondContact O-N 3.19Å; G30-R158 WeakPolarHBondContact O-CD 3.26Å; G30-R158 PolarHBondContact O-NH1 2.89Å |
| 31 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -76.2 | 74.4 | 171.9 | -174.9 | 0 | 0 | 0 | 0 | 109 | A26 E29 Y47 A48 R158 T159 V162 L468 | A26-V31 HydrophobicContact CB-CB 4.11Å; A26-V31 HydrophobicContact CB-CG2 4.42Å; A26-V31 WeakPolarHBondContact O-CB 3.43Å; A26-V31 PolarHBondContact O-N 3.23Å; E29-V31 HydrophobicContact CB-CG2 4.47Å; V31-Y47 CarbonylContact O-C 3.57Å; V31-Y47 WeakPolarHBondContact O-CA 3.3Å; V31-A48 HydrophobicContact CG1-CB 3.96Å; V31-A48 PolarHBondContact O-N 2.88Å; V31-R158 HydrophobicContact CG2-CB 3.77Å; V31-T159 HydrophobicContact CG1-CG2 3.93Å; V31-T159 HydrophobicContact CG2-CG2 3.96Å; V31-V162 HydrophobicContact CG2-CG2 4.18Å; V31-L468 HydrophobicContact CG1-CD1 4.02Å | ||
| 32 | L | 98.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 149.8 | -163.8 | -59.6 | 173.9 | 0 | 0 | 0 | 113.8 | L27 G30 V45 S46 F218 | L27-L32 HydrophobicContact CD2-CD2 3.54Å; G30-L32 PolarHBondContact O-N 3.19Å; L32-V45 HydrophobicContact CD1-CG2 4.33Å; L32-V45 HydrophobicContact CD2-CG2 4.16Å; L32-S46 CarbonylContact C-O 3.52Å; L32-S46 WeakPolarHBondContact CA-O 3.28Å; L32-F218 HydrophobicContact CB-CB 4.24Å; L32-F218 HydrophobicContact CB-CD1 4.47Å; L32-F218 HydrophobicContact CB-CD2 3.56Å; L32-F218 HydrophobicContact CB-CE2 4.04Å; L32-F218 HydrophobicContact CB-CG 3.82Å; L32-F218 HydrophobicContact CD1-CD1 4.42Å |
| 33 | L | 98.6 | Very high | 98.1 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.2 | 160.9 | -66.4 | 176.9 | 0 | 0 | 0 | 109.3 | V45 S46 A48 L155 R215 N216 | L33-V45 WeakPolarHBondContact O-CA 3.46Å; L33-V45 WeakPolarHBondContact O-CB 3.42Å; L33-S46 PolarHBondContact N-O 2.83Å; L33-S46 PolarHBondContact O-N 3.27Å; L33-A48 HydrophobicContact CD1-CB 4.02Å; L33-A48 HydrophobicContact CG-CB 3.78Å; L33-L155 HydrophobicContact CD2-CD1 4.39Å; L33-R215 WeakPolarHBondContact CA-O 3.28Å; L33-N216 HydrophobicContact CD2-CB 3.91Å; L33-N216 VanDerWaalsContact CD2-OD1 3.27Å; L33-N216 WeakPolarHBondContact CD2-OD1 3.5Å |
| 34 | R | 98.6 | Very high | 98 | Very high | 27 Ų | 27 | 59 Ų | 59 | 10% | 0.102 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 153.7 | 160.3 | -57.7 | 175.8 | 161.8 | 170 | -13.7 | 109.5 | P39 T40 S41 S42 R215 I217 F218 | R34-P39 VanDerWaalsContact CD-O 3.23Å; R34-P39 WeakPolarHBondContact CD-O 3.31Å; R34-P39 PolarHBondContact NH1-O 3.15Å; R34-P39 VanDerWaalsContact NH1-O 3.11Å; R34-T40 VanDerWaalsContact CZ-C 3.44Å; R34-T40 VanDerWaalsContact NH1-C 3.28Å; R34-T40 PolarHBondContact NH1-O 3.11Å; R34-T40 VanDerWaalsContact NH1-O 3.12Å; R34-T40 PolarHBondContact NH2-O 2.96Å; R34-T40 VanDerWaalsContact NH2-O 3.07Å; R34-S41 WeakPolarHBondContact CD-O 3.31Å; R34-S41 WeakPolarHBondContact CG-O 3.43Å; R34-S41 VanDerWaalsContact NE-C 3.3Å; R34-S41 PolarHBondContact NE-O 3.31Å; R34-S41 VanDerWaalsContact NE-O 3.1Å; R34-S42 PolarHBondContact NE-OG 2.75Å; R34-S42 PolarHBondContact NH2-OG 3.44Å; R34-R215 PolarHBondContact N-O 2.91Å; R34-R215 PolarHBondContact O-NE 3.03Å; R34-I217 HydrophobicContact CG-CG2 4.01Å; R34-F218 HydrophobicContact CG-CE2 3.94Å; R34-F218 HydrophobicContact CG-CZ 4.45Å |
| 35 | T | 97.3 | Very high | 98 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | trans | -64.6 | 158.5 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 110.7 | Q37 E38 V44 | T35-Q37 PolarHBondContact O-N 3.28Å; T35-E38 CarbonylContact O-C 3.54Å; T35-E38 PolarHBondContact OG1-N 2.8Å; T35-E38 VanDerWaalsContact OG1-N 3.16Å; T35-V44 HydrophobicContact CG2-CB 4.43Å; T35-V44 HydrophobicContact CG2-CG1 3.86Å | ||
| 36 | S | 94.2 | Very high | 98 | Very high | 68 Ų | 68 | 54.8 Ų | 54.8 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -70 | -25.7 | 175.3 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 37 | Q | 96.7 | Very high | 98 | Very high | 137 Ų | 137 | 56.1 Ų | 56.1 | 64% | 0.64 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -73.9 | -38.3 | 178.9 | -61.9 | 72.1 | 30.5 | 0 | 0 | 110.9 | T35 P39 | T35-Q37 PolarHBondContact O-N 3.28Å; Q37-P39 VanDerWaalsContact C-CD 3.43Å; Q37-P39 VanDerWaalsContact O-CD 3.31Å; Q37-P39 WeakPolarHBondContact O-CD 3.33Å |
| 38 | E | 97.1 | Very high | 97.9 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 48% | 0.477 | 30% | 0.304 | S | S | . | . | trans | -123.4 | 64.9 | -175.3 | -63.5 | -60.3 | 147.8 | 0 | 0 | 112 | T35 T40 S41 | T35-E38 CarbonylContact O-C 3.54Å; T35-E38 PolarHBondContact OG1-N 2.8Å; T35-E38 VanDerWaalsContact OG1-N 3.16Å; E38-T40 PolarHBondContact O-N 2.96Å; E38-T40 VanDerWaalsContact O-N 3.12Å; E38-S41 PolarHBondContact O-N 2.69Å; E38-S41 VanDerWaalsContact O-N 3.16Å | ||
| 39 | P | 97.1 | Very high | 97.9 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -12.4 | -174.3 | 30.2 | -37.2 | 0 | 0 | 0 | 114 | R34 Q37 K213 E214 R215 | R34-P39 VanDerWaalsContact CD-O 3.23Å; R34-P39 WeakPolarHBondContact CD-O 3.31Å; R34-P39 PolarHBondContact NH1-O 3.15Å; R34-P39 VanDerWaalsContact NH1-O 3.11Å; Q37-P39 VanDerWaalsContact C-CD 3.43Å; Q37-P39 VanDerWaalsContact O-CD 3.31Å; Q37-P39 WeakPolarHBondContact O-CD 3.33Å; P39-K213 HydrophobicContact CB-CB 4.04Å; P39-K213 HydrophobicContact CG-CB 3.95Å; P39-K213 HydrophobicContact CG-CD 4.26Å; P39-K213 HydrophobicContact CG-CG 3.97Å; P39-E214 CarbonylContact O-C 3.46Å; P39-E214 PolarHBondContact O-N 3.46Å; P39-R215 HydrophobicContact CB-CG 3.79Å |
| 40 | T | 97.9 | Very high | 97.9 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 42% | 0.423 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -13.4 | 177.4 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | R34 E38 E212 K213 | R34-T40 VanDerWaalsContact CZ-C 3.44Å; R34-T40 VanDerWaalsContact NH1-C 3.28Å; R34-T40 PolarHBondContact NH1-O 3.11Å; R34-T40 VanDerWaalsContact NH1-O 3.12Å; R34-T40 PolarHBondContact NH2-O 2.96Å; R34-T40 VanDerWaalsContact NH2-O 3.07Å; E38-T40 PolarHBondContact O-N 2.96Å; E38-T40 VanDerWaalsContact O-N 3.12Å; T40-E212 HydrophobicContact CG2-CB 4.34Å; T40-K213 HydrophobicContact CG2-CG 3.83Å |
| 41 | S | 97.9 | Very high | 97.9 | Very high | 34 Ų | 34 | 45.9 Ų | 45.9 | 24% | 0.238 | 25% | 0.253 | C | S | . | . | trans | -108.5 | 138.8 | -173.5 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | R34 E38 E43 | R34-S41 WeakPolarHBondContact CD-O 3.31Å; R34-S41 WeakPolarHBondContact CG-O 3.43Å; R34-S41 VanDerWaalsContact NE-C 3.3Å; R34-S41 PolarHBondContact NE-O 3.31Å; R34-S41 VanDerWaalsContact NE-O 3.1Å; E38-S41 PolarHBondContact O-N 2.69Å; E38-S41 VanDerWaalsContact O-N 3.16Å; S41-E43 PolarHBondContact OG-N 3.42Å | ||
| 42 | S | 98.3 | Very high | 97.9 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -102.5 | 5.6 | 171.7 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | R34 V44 | R34-S42 PolarHBondContact NE-OG 2.75Å; R34-S42 PolarHBondContact NH2-OG 3.44Å; S42-V44 VanDerWaalsContact C-N 3.25Å; S42-V44 PolarHBondContact O-N 2.85Å |
| 43 | E | 98.1 | Very high | 97.9 | Very high | 171 Ų | 171 | 44.6 Ų | 44.6 | 80% | 0.799 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -66.4 | -31.3 | 177.8 | -64 | -55.6 | 127.2 | 0 | 0 | 111.9 | S41 | S41-E43 PolarHBondContact OG-N 3.42Š|
| 44 | V | 97.7 | Very high | 97.9 | Very high | 89 Ų | 89 | 43.9 Ų | 43.9 | 54% | 0.539 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -129 | 127.4 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | T35 S42 | T35-V44 HydrophobicContact CG2-CB 4.43Å; T35-V44 HydrophobicContact CG2-CG1 3.86Å; S42-V44 VanDerWaalsContact C-N 3.25Å; S42-V44 PolarHBondContact O-N 2.85Å |
| 45 | V | 98.5 | Very high | 97.9 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 32% | 0.315 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 164.9 | -178.9 | -60.6 | 0 | 0 | 0 | 0 | 110 | L32 L33 F218 | L32-V45 HydrophobicContact CD1-CG2 4.33Å; L32-V45 HydrophobicContact CD2-CG2 4.16Å; L33-V45 WeakPolarHBondContact O-CA 3.46Å; L33-V45 WeakPolarHBondContact O-CB 3.42Å; V45-F218 HydrophobicContact CB-CE2 4.3Å; V45-F218 HydrophobicContact CB-CZ 4.47Å; V45-F218 HydrophobicContact CG1-CE2 3.53Å; V45-F218 HydrophobicContact CG1-CZ 3.4Å; V45-F218 VanDerWaalsContact CG1-CZ 3.4Å |
| 46 | S | 98.3 | Very high | 97.9 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 176.7 | 168.9 | -160.6 | 0 | 0 | 0 | 0 | 110.2 | L32 L33 P413 | L32-S46 CarbonylContact C-O 3.52Å; L32-S46 WeakPolarHBondContact CA-O 3.28Å; L33-S46 PolarHBondContact N-O 2.83Å; L33-S46 PolarHBondContact O-N 3.27Å; S46-P413 WeakPolarHBondContact OG-CB 3.49Å; S46-P413 WeakPolarHBondContact OG-CG 3.26Å |
| 47 | Y | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 41 Ų | 41 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 142.9 | 177.6 | 55.7 | -87 | 0 | 0 | 0 | 110.8 | V23 L27 V31 F50 L411 R412 P413 | V23-Y47 HydrophobicContact CB-CD1 4.47Å; V23-Y47 HydrophobicContact CB-CE1 4.35Å; V23-Y47 HydrophobicContact CG1-CD1 3.58Å; V23-Y47 HydrophobicContact CG1-CE1 3.53Å; V23-Y47 HydrophobicContact CG1-CG 4.43Å; V23-Y47 HydrophobicContact CG2-CD1 4.26Å; V23-Y47 HydrophobicContact CG2-CE1 3.84Å; V23-Y47 HydrophobicContact CG2-CE2 4.21Å; L27-Y47 HydrophobicContact CD2-CD1 4.45Å; V31-Y47 CarbonylContact O-C 3.57Å; V31-Y47 WeakPolarHBondContact O-CA 3.3Å; Y47-F50 HydrophobicContact CD2-CD1 4.04Å; Y47-F50 AromaticContact CD2-CE1 3.78Å; Y47-F50 HydrophobicContact CD2-CE1 3.78Å; Y47-F50 HydrophobicContact CE2-CE1 4.32Å; Y47-F50 HydrophobicContact CG-CE1 4.37Å; Y47-L411 HydrophobicContact CE2-CB 4.3Å; Y47-R412 VanDerWaalsContact OH-C 3.28Å; Y47-R412 PolarHBondContact OH-O 2.73Å; Y47-P413 HydrophobicContact CD1-CG 4.23Å; Y47-P413 HydrophobicContact CD2-CG 3.85Å; Y47-P413 HydrophobicContact CE1-CB 4.41Å; Y47-P413 HydrophobicContact CE1-CG 4.09Å; Y47-P413 VanDerWaalsContact CE2-CD 3.41Å; Y47-P413 HydrophobicContact CE2-CG 3.71Å; Y47-P413 HydrophobicContact CG-CG 4.12Å; Y47-P413 WeakPolarHBondContact O-CG 3.4Å; Y47-P413 WeakPolarHBondContact OH-CA 3.28Å |
| 48 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 141.3 | 166 | 0 | 0 | 0 | 0 | 0 | 108.7 | V31 L33 F50 L155 L468 | V31-A48 HydrophobicContact CG1-CB 3.96Å; V31-A48 PolarHBondContact O-N 2.88Å; L33-A48 HydrophobicContact CD1-CB 4.02Å; L33-A48 HydrophobicContact CG-CB 3.78Å; A48-F50 WeakPolarHBondContact O-CD1 3.23Å; A48-F50 PolarHBondContact O-N 3.18Å; A48-L155 HydrophobicContact CB-CD1 3.8Å; A48-L468 HydrophobicContact CB-CD1 3.87Å |
| 49 | P | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 136.7 | 179.2 | -24.7 | 34.5 | 0 | 0 | 0 | 111.6 | L411 R412 V467 L468 | P49-L411 VanDerWaalsContact CA-O 3.23Å; P49-L411 WeakPolarHBondContact CA-O 3.46Å; P49-R412 HydrophobicContact CB-CG 4.34Å; P49-R412 HydrophobicContact CG-CG 4.05Å; P49-V467 HydrophobicContact CB-CB 3.98Å; P49-V467 HydrophobicContact CB-CG1 3.61Å; P49-L468 PolarHBondContact O-N 3.45Å |
| 50 | F | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 163.8 | -179.2 | 70 | -74.2 | 0 | 0 | 0 | 112.7 | A22 A26 Y47 A48 V162 L411 L468 | A22-F50 HydrophobicContact CB-CE2 3.88Å; A22-F50 HydrophobicContact CB-CZ 3.82Å; A26-F50 HydrophobicContact CB-CD1 4.44Å; A26-F50 HydrophobicContact CB-CE1 3.77Å; A26-F50 HydrophobicContact CB-CZ 3.82Å; Y47-F50 HydrophobicContact CD2-CD1 4.04Å; Y47-F50 AromaticContact CD2-CE1 3.78Å; Y47-F50 HydrophobicContact CD2-CE1 3.78Å; Y47-F50 HydrophobicContact CE2-CE1 4.32Å; Y47-F50 HydrophobicContact CG-CE1 4.37Å; A48-F50 WeakPolarHBondContact O-CD1 3.23Å; A48-F50 PolarHBondContact O-N 3.18Å; F50-V162 HydrophobicContact CD2-CG1 4.21Å; F50-V162 HydrophobicContact CE2-CG1 3.55Å; F50-V162 HydrophobicContact CZ-CG1 4.11Å; F50-L411 HydrophobicContact CD1-CB 4.33Å; F50-L411 HydrophobicContact CD2-CD1 4.5Å; F50-L411 HydrophobicContact CE1-CB 4.11Å; F50-L411 HydrophobicContact CE1-CD1 4Å; F50-L411 HydrophobicContact CE2-CD1 3.74Å; F50-L411 HydrophobicContact CZ-CB 4.4Å; F50-L411 HydrophobicContact CZ-CD1 3.45Å; F50-L411 VanDerWaalsContact CZ-CD1 3.45Å; F50-L411 PolarHBondContact N-O 3.31Å; F50-L411 VanDerWaalsContact N-O 3.11Å; F50-L411 WeakPolarHBondContact O-CB 3.43Å; F50-L411 PolarHBondContact O-N 3.45Å; F50-L468 CarbonylContact C-O 3.51Å; F50-L468 WeakPolarHBondContact CA-O 3.4Å; F50-L468 HydrophobicContact CB-CB 4.11Å; F50-L468 WeakPolarHBondContact CB-O 3.1Å |
| 51 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 146.9 | 172.8 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | F53 H163 C409 L410 T451 V467 L468 D469 | T51-F53 WeakPolarHBondContact CB-O 3.4Å; T51-F53 PolarHBondContact OG1-O 2.92Å; T51-F53 VanDerWaalsContact OG1-O 3.09Å; T51-H163 PolarHBondContact O-NE2 3.44Å; T51-H163 PolarHBondContact OG1-CE1 2.98Å; T51-H163 PolarHBondContact OG1-NE2 2.92Å; T51-C409 CarbonylContact C-O 3.5Å; T51-C409 WeakPolarHBondContact CA-O 3.34Å; T51-L410 HydrophobicContact CG2-CD2 3.99Å; T51-T451 HydrophobicContact CG2-CG2 3.95Å; T51-V467 HydrophobicContact CG2-CG2 3.57Å; T51-L468 PolarHBondContact N-O 3.37Å; T51-D469 HydrophobicContact CG2-CB 4.03Å; T51-D469 WeakPolarHBondContact CG2-OD2 3.41Å; T51-D469 PolarHBondContact OG1-OD1 2.83Å |
| 52 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -67.1 | -40.3 | 174.4 | -177.5 | 59.8 | 0 | 0 | 0 | 112.1 | L9 L15 L18 A22 H163 V166 C409 L411 | L9-L52 HydrophobicContact CD2-CD2 4.14Å; L15-L52 HydrophobicContact CD1-CD2 3.55Å; L18-L52 HydrophobicContact CB-CD1 4.2Å; L18-L52 HydrophobicContact CB-CD2 4.2Å; A22-L52 HydrophobicContact CB-CD1 3.66Å; L52-H163 PolarHBondContact O-CD2 3.32Å; L52-V166 HydrophobicContact CD1-CG1 3.92Å; L52-V166 HydrophobicContact CD1-CG2 4.04Å; L52-V166 HydrophobicContact CG-CG1 4.24Å; L52-C409 HydrophobicContact CB-CB 3.79Å; L52-C409 HydrophobicContact CD2-CB 4.07Å; L52-C409 PolarHBondContact N-O 3.33Å; L52-L411 HydrophobicContact CB-CD1 4.46Å; L52-L411 HydrophobicContact CD1-CD1 4.16Å |
| 53 | F | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -118.2 | 149.8 | 179.4 | -64.8 | -71.8 | 0 | 0 | 0 | 111.7 | W5 L8 L9 L18 T51 S55 V166 L167 L170 N408 | W5-F53 HydrophobicContact CB-CB 4.28Å; W5-F53 HydrophobicContact CB-CD2 4.08Å; W5-F53 HydrophobicContact CB-CG 4.3Å; W5-F53 HydrophobicContact CD2-CB 3.8Å; W5-F53 HydrophobicContact CD2-CD1 4.43Å; W5-F53 HydrophobicContact CD2-CG 4.09Å; W5-F53 HydrophobicContact CE3-CB 4.3Å; W5-F53 HydrophobicContact CE3-CD1 4.07Å; W5-F53 HydrophobicContact CE3-CG 4.15Å; W5-F53 HydrophobicContact CG-CB 3.76Å; W5-F53 HydrophobicContact CG-CD2 4.42Å; W5-F53 HydrophobicContact CG-CG 4.16Å; W5-F53 HydrophobicContact CZ3-CD1 4.41Å; L8-F53 HydrophobicContact CB-CE2 4.18Å; L8-F53 HydrophobicContact CB-CZ 4Å; L8-F53 HydrophobicContact CD1-CE1 3.97Å; L8-F53 HydrophobicContact CD1-CE2 4.48Å; L8-F53 HydrophobicContact CD1-CZ 3.85Å; L9-F53 HydrophobicContact CD2-CD2 4.11Å; L9-F53 HydrophobicContact CD2-CE2 3.68Å; L9-F53 HydrophobicContact CG-CE2 4.33Å; L18-F53 HydrophobicContact CD1-CZ 4.08Å; T51-F53 WeakPolarHBondContact CB-O 3.4Å; T51-F53 PolarHBondContact OG1-O 2.92Å; T51-F53 VanDerWaalsContact OG1-O 3.09Å; F53-S55 PolarHBondContact O-N 2.94Å; F53-V166 HydrophobicContact CD1-CG1 4.07Å; F53-V166 HydrophobicContact CE1-CG1 3.65Å; F53-V166 HydrophobicContact CZ-CG1 4.24Å; F53-L167 HydrophobicContact CD1-CD2 4Å; F53-L167 HydrophobicContact CE1-CD2 4.12Å; F53-L170 HydrophobicContact CE1-CD1 3.88Å; F53-L170 HydrophobicContact CZ-CD1 3.99Å; F53-N408 PolarHBondContact N-OD1 3.33Å; F53-N408 PolarHBondContact O-ND2 3Å |
| 54 | P | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 122.4 | 176.1 | 31 | -35.2 | 0 | 0 | 0 | 110.5 | W5 H163 L167 I179 D469 N470 Y472 | W5-P54 HydrophobicContact CZ2-CG 4.13Å; W5-P54 WeakPolarHBondContact CZ2-O 3.32Å; W5-P54 PolarHBondContact NE1-O 3.28Å; P54-H163 HydrophobicContact CB-CB 4.38Å; P54-H163 HydrophobicContact CG-CB 4.3Å; P54-L167 HydrophobicContact CG-CD1 4.37Å; P54-I179 HydrophobicContact CG-CD1 4.19Å; P54-I179 HydrophobicContact CG-CG1 4.11Å; P54-D469 WeakPolarHBondContact CA-OD1 3.35Å; P54-N470 CarbonylContact C-O 3.57Å; P54-N470 WeakPolarHBondContact CA-O 3.33Å; P54-N470 HydrophobicContact CB-CB 4.15Å; P54-N470 VanDerWaalsContact CB-O 3.31Å; P54-N470 WeakPolarHBondContact CB-O 3.23Å; P54-Y472 HydrophobicContact CG-CD2 3.83Å; P54-Y472 HydrophobicContact CG-CG 4.38Å; P54-Y472 WeakPolarHBondContact O-CB 3.39Å |
| 55 | S | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 144.1 | -176.5 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | F53 F406 N408 D469 N470 Y472 | F53-S55 PolarHBondContact O-N 2.94Å; S55-F406 VanDerWaalsContact CB-CZ 3.49Å; S55-F406 WeakPolarHBondContact OG-CE2 3.41Å; S55-F406 VanDerWaalsContact OG-CZ 3.32Å; S55-F406 WeakPolarHBondContact OG-CZ 3.3Å; S55-N408 PolarHBondContact OG-ND2 2.84Å; S55-D469 WeakPolarHBondContact CB-OD2 3.26Å; S55-D469 PolarHBondContact N-OD1 2.9Å; S55-D469 VanDerWaalsContact N-OD1 3.13Å; S55-D469 PolarHBondContact OG-OD2 2.97Å; S55-N470 PolarHBondContact N-O 3.04Å; S55-Y472 PolarHBondContact O-N 3.17Å |
| 56 | L | 97.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 26.3 Ų | 26.3 | 31% | 0.309 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.2 | -177.5 | -49.8 | -178.6 | 0 | 0 | 0 | 110.8 | T3 W5 Y472 V474 | T3-L56 VanDerWaalsContact O-CD1 3.3Å; T3-L56 WeakPolarHBondContact O-CD1 3.32Å; W5-L56 HydrophobicContact CZ2-CD2 4Å; L56-Y472 WeakPolarHBondContact CA-O 3.41Å; L56-Y472 HydrophobicContact CD2-CD1 3.58Å; L56-Y472 HydrophobicContact CD2-CE1 4.32Å; L56-Y472 HydrophobicContact CD2-CG 4.16Å; L56-V474 HydrophobicContact CB-CG1 4.03Å; L56-V474 HydrophobicContact CB-CG2 4.17Å; L56-V474 HydrophobicContact CD1-CG1 4.29Å; L56-V474 HydrophobicContact CD2-CG1 3.81Å; L56-V474 HydrophobicContact CG-CG1 4.25Å |
| 57 | V | 97.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127 | 177.1 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | S59 L62 F130 L449 P471 Y472 P473 V474 | V57-S59 PolarHBondContact O-N 3.18Å; V57-L62 HydrophobicContact CG1-CB 4.17Å; V57-F130 HydrophobicContact CB-CZ 4.48Å; V57-F130 HydrophobicContact CG1-CE1 4.29Å; V57-F130 HydrophobicContact CG1-CE2 4.16Å; V57-F130 HydrophobicContact CG1-CZ 3.62Å; V57-F130 HydrophobicContact CG2-CE2 4.12Å; V57-F130 HydrophobicContact CG2-CZ 4.17Å; V57-L449 HydrophobicContact CG2-CD1 4.16Å; V57-L449 HydrophobicContact CG2-CD2 3.98Å; V57-P471 HydrophobicContact CB-CB 3.9Å; V57-P471 HydrophobicContact CG1-CB 4.44Å; V57-P471 HydrophobicContact CG2-CB 3.7Å; V57-Y472 PolarHBondContact N-O 3.39Å; V57-P473 WeakPolarHBondContact O-CA 3.37Å; V57-V474 PolarHBondContact O-N 3.1Å |
| 58 | P | 96.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 26.2 Ų | 26.2 | 26% | 0.26 | 15% | 0.153 | S | C | . | . | trans | -57.2 | 122.9 | 175.6 | -25.4 | 34.7 | 0 | 0 | 0 | 111.4 | A60 L61 L62 P138 | P58-A60 VanDerWaalsContact C-N 3.26Å; P58-A60 PolarHBondContact O-N 3.04Å; P58-L61 HydrophobicContact CB-CB 4.38Å; P58-L61 HydrophobicContact CB-CD1 4.23Å; P58-L61 HydrophobicContact CB-CG 4.09Å; P58-L61 HydrophobicContact CG-CD1 4.19Å; P58-L61 PolarHBondContact O-N 3.04Å; P58-L62 PolarHBondContact O-N 3.12Å; P58-L62 VanDerWaalsContact O-N 3.13Å; P58-P138 HydrophobicContact CG-CG 4.05Å | ||
| 59 | S | 97.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 26.2 Ų | 26.2 | 26% | 0.259 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -57.5 | -40.5 | -173.1 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | V57 L61 L62 E63 P473 V474 | V57-S59 PolarHBondContact O-N 3.18Å; S59-L61 VanDerWaalsContact C-N 3.32Å; S59-L61 PolarHBondContact O-N 2.9Å; S59-L62 WeakPolarHBondContact O-CB 3.25Å; S59-L62 PolarHBondContact O-N 2.89Å; S59-E63 WeakPolarHBondContact O-CG 3.4Å; S59-E63 PolarHBondContact O-N 2.85Å; S59-P473 WeakPolarHBondContact OG-CB 3.43Å; S59-V474 WeakPolarHBondContact CB-O 3.37Å; S59-V474 PolarHBondContact N-O 3.28Å; S59-V474 PolarHBondContact OG-N 2.69Å; S59-V474 PolarHBondContact OG-O 2.92Å |
| 60 | A | 97.9 | Very high | 98.4 | Very high | 68 Ų | 68 | 29.5 Ų | 29.5 | 56% | 0.562 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -61.5 | -36.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P58 Q64 | P58-A60 VanDerWaalsContact C-N 3.26Å; P58-A60 PolarHBondContact O-N 3.04Å; A60-Q64 WeakPolarHBondContact O-CB 3.06Å; A60-Q64 PolarHBondContact O-N 2.82Å |
| 61 | L | 98.3 | Very high | 98.4 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -76.7 | -33.9 | 178.4 | -61.2 | -172.7 | 0 | 0 | 0 | 111.8 | P58 S59 Q64 A65 F130 P138 L140 | P58-L61 HydrophobicContact CB-CB 4.38Å; P58-L61 HydrophobicContact CB-CD1 4.23Å; P58-L61 HydrophobicContact CB-CG 4.09Å; P58-L61 HydrophobicContact CG-CD1 4.19Å; P58-L61 PolarHBondContact O-N 3.04Å; S59-L61 VanDerWaalsContact C-N 3.32Å; S59-L61 PolarHBondContact O-N 2.9Å; L61-Q64 PolarHBondContact O-N 2.81Å; L61-A65 WeakPolarHBondContact O-CB 3.36Å; L61-A65 PolarHBondContact O-N 2.91Å; L61-F130 HydrophobicContact CB-CD1 4.32Å; L61-F130 HydrophobicContact CB-CE1 4.35Å; L61-F130 HydrophobicContact CD1-CB 4.18Å; L61-F130 HydrophobicContact CD1-CD1 3.7Å; L61-F130 HydrophobicContact CD1-CE1 4.48Å; L61-F130 HydrophobicContact CD1-CG 4.15Å; L61-P138 HydrophobicContact CD1-CB 3.73Å; L61-P138 HydrophobicContact CD1-CG 3.92Å; L61-L140 HydrophobicContact CB-CD1 4.44Å; L61-L140 HydrophobicContact CD2-CB 4.18Å |
| 62 | L | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 171 | 178.9 | 59.8 | 0 | 0 | 0 | 110.8 | V57 P58 S59 A65 Y66 L180 L426 I428 P471 | V57-L62 HydrophobicContact CG1-CB 4.17Å; P58-L62 PolarHBondContact O-N 3.12Å; P58-L62 VanDerWaalsContact O-N 3.13Å; S59-L62 WeakPolarHBondContact O-CB 3.25Å; S59-L62 PolarHBondContact O-N 2.89Å; L62-A65 PolarHBondContact O-N 2.92Å; L62-Y66 HydrophobicContact CD1-CD2 3.92Å; L62-Y66 HydrophobicContact CD1-CE2 3.66Å; L62-Y66 HydrophobicContact CG-CD2 4.04Å; L62-Y66 HydrophobicContact CG-CE2 3.99Å; L62-Y66 VanDerWaalsContact O-CD2 3.3Å; L62-Y66 WeakPolarHBondContact O-CD2 3.27Å; L62-Y66 PolarHBondContact O-N 2.97Å; L62-L180 HydrophobicContact CD2-CD1 3.66Å; L62-L426 HydrophobicContact CD1-CD1 3.89Å; L62-L426 HydrophobicContact CD1-CD2 3.72Å; L62-L426 HydrophobicContact CD1-CG 4.44Å; L62-I428 HydrophobicContact CD1-CD1 4.33Å; L62-P471 HydrophobicContact CD2-CB 4.33Å; L62-P471 HydrophobicContact CD2-CG 4.33Å |
| 63 | E | 98.8 | Very high | 98.4 | Very high | 133 Ų | 133 | 30.1 Ų | 30.1 | 62% | 0.621 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -61.2 | -43.1 | 175.6 | -72.8 | 171.5 | -168.6 | 0 | 0 | 112 | S59 A65 Y66 A67 | S59-E63 WeakPolarHBondContact O-CG 3.4Å; S59-E63 PolarHBondContact O-N 2.85Å; E63-A65 VanDerWaalsContact C-N 3.35Å; E63-A65 PolarHBondContact O-N 2.93Å; E63-Y66 PolarHBondContact O-N 2.83Å; E63-A67 WeakPolarHBondContact O-CB 3.39Å; E63-A67 PolarHBondContact O-N 3.02Å |
| 64 | Q | 98.8 | Very high | 98.5 | Very high | 68 Ų | 68 | 32.2 Ų | 32.2 | 32% | 0.318 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59 | -45 | 174.9 | -175.3 | -175.4 | 2.6 | 0 | 0 | 111.8 | A60 L61 Y66 A67 V68 L140 | A60-Q64 WeakPolarHBondContact O-CB 3.06Å; A60-Q64 PolarHBondContact O-N 2.82Å; L61-Q64 PolarHBondContact O-N 2.81Å; Q64-Y66 VanDerWaalsContact C-N 3.34Å; Q64-Y66 PolarHBondContact O-N 2.75Å; Q64-A67 PolarHBondContact O-N 3.13Å; Q64-V68 WeakPolarHBondContact O-CG1 3.47Å; Q64-V68 PolarHBondContact O-N 3.49Å; Q64-V68 VanDerWaalsContact O-N 3.15Å; Q64-L140 HydrophobicContact CB-CD2 4.21Å; Q64-L140 HydrophobicContact CG-CD2 3.97Å |
| 65 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L61 L62 E63 V68 Y128 L140 L426 I428 | L61-A65 WeakPolarHBondContact O-CB 3.36Å; L61-A65 PolarHBondContact O-N 2.91Å; L62-A65 PolarHBondContact O-N 2.92Å; E63-A65 VanDerWaalsContact C-N 3.35Å; E63-A65 PolarHBondContact O-N 2.93Å; A65-V68 WeakPolarHBondContact O-CG1 3.23Å; A65-Y128 HydrophobicContact CB-CD2 4.08Å; A65-Y128 HydrophobicContact CB-CE2 4.06Å; A65-L140 HydrophobicContact CB-CD1 4.11Å; A65-L140 HydrophobicContact CB-CD2 3.62Å; A65-L426 HydrophobicContact CB-CD2 3.85Å; A65-I428 HydrophobicContact CB-CD1 4.14Å; A65-I428 HydrophobicContact CB-CG1 3.65Å |
| 66 | Y | 98.9 | Very high | 98.5 | Very high | 49 Ų | 49 | 32.6 Ų | 32.6 | 19% | 0.192 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 173.5 | -89.5 | -66.2 | 0 | 0 | 0 | 112.7 | L62 E63 Q64 V68 Q69 I428 H444 H447 | L62-Y66 HydrophobicContact CD1-CD2 3.92Å; L62-Y66 HydrophobicContact CD1-CE2 3.66Å; L62-Y66 HydrophobicContact CG-CD2 4.04Å; L62-Y66 HydrophobicContact CG-CE2 3.99Å; L62-Y66 VanDerWaalsContact O-CD2 3.3Å; L62-Y66 WeakPolarHBondContact O-CD2 3.27Å; L62-Y66 PolarHBondContact O-N 2.97Å; E63-Y66 PolarHBondContact O-N 2.83Å; Q64-Y66 VanDerWaalsContact C-N 3.34Å; Q64-Y66 PolarHBondContact O-N 2.75Å; Y66-V68 VanDerWaalsContact C-N 3.32Å; Y66-V68 PolarHBondContact O-N 3.06Å; Y66-Q69 PolarHBondContact O-N 3Å; Y66-I428 HydrophobicContact CD1-CD1 4.33Å; Y66-I428 HydrophobicContact CD1-CG2 3.98Å; Y66-I428 HydrophobicContact CD2-CD1 4.22Å; Y66-I428 HydrophobicContact CE1-CD1 4.25Å; Y66-I428 HydrophobicContact CE1-CG2 4.19Å; Y66-I428 HydrophobicContact CE2-CD1 4.15Å; Y66-I428 HydrophobicContact CG-CD1 4.32Å; Y66-H444 HydrophobicContact CD1-CB 4.05Å; Y66-H444 AromaticContact CD1-CG 3.73Å; Y66-H444 AromaticContact CD1-ND1 3.67Å; Y66-H444 HydrophobicContact CE1-CB 4.48Å; Y66-H444 AromaticContact CE1-ND1 4Å; Y66-H444 PolarHBondContact O-CD2 3.2Å; Y66-H447 AromaticContact CZ-ND1 3.76Å; Y66-H447 PolarHBondContact OH-ND1 3.32Å |
| 67 | A | 98.8 | Very high | 98.6 | Very high | 59 Ų | 59 | 30.3 Ų | 30.3 | 49% | 0.488 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.3 | -36.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E63 Q64 | E63-A67 WeakPolarHBondContact O-CB 3.39Å; E63-A67 PolarHBondContact O-N 3.02Å; Q64-A67 PolarHBondContact O-N 3.13Å |
| 68 | V | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -82.5 | -14.2 | -177.7 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | Q64 A65 Y66 M70 D71 F72 Y128 R330 L331 T334 | Q64-V68 WeakPolarHBondContact O-CG1 3.47Å; Q64-V68 PolarHBondContact O-N 3.49Å; Q64-V68 VanDerWaalsContact O-N 3.15Å; A65-V68 WeakPolarHBondContact O-CG1 3.23Å; Y66-V68 VanDerWaalsContact C-N 3.32Å; Y66-V68 PolarHBondContact O-N 3.06Å; V68-M70 VanDerWaalsContact C-N 3.29Å; V68-M70 PolarHBondContact O-N 3.49Å; V68-D71 HydrophobicContact CG2-CB 4.32Å; V68-D71 WeakPolarHBondContact O-CB 3.35Å; V68-D71 PolarHBondContact O-N 3.47Å; V68-F72 HydrophobicContact CB-CD2 4.49Å; V68-F72 HydrophobicContact CG1-CD2 4.06Å; V68-F72 HydrophobicContact CG1-CE2 4Å; V68-F72 HydrophobicContact CG2-CD2 3.89Å; V68-F72 HydrophobicContact CG2-CE2 3.77Å; V68-F72 PolarHBondContact O-N 2.98Å; V68-Y128 WeakPolarHBondContact CG1-OH 3.44Å; V68-R330 HydrophobicContact CB-CB 4.41Å; V68-R330 HydrophobicContact CG2-CB 3.93Å; V68-L331 HydrophobicContact CG2-CD2 4.05Å; V68-L331 HydrophobicContact CG2-CG 4.28Å; V68-T334 HydrophobicContact CG1-CG2 4.31Å |
| 69 | Q | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -36.8 | -174.6 | -177.6 | 61.3 | 55.6 | 0 | 0 | 113.2 | Y66 D71 F72 N73 N124 I428 H444 | Y66-Q69 PolarHBondContact O-N 3Å; Q69-D71 VanDerWaalsContact C-N 3.3Å; Q69-D71 PolarHBondContact O-N 3.33Å; Q69-F72 PolarHBondContact O-N 2.96Å; Q69-N73 PolarHBondContact NE2-OD1 2.81Å; Q69-N73 VanDerWaalsContact O-CG 3.3Å; Q69-N73 PolarHBondContact O-N 3.38Å; Q69-N73 PolarHBondContact O-OD1 2.81Å; Q69-N124 PolarHBondContact NE2-OD1 3.19Å; Q69-I428 HydrophobicContact CB-CG2 3.81Å; Q69-I428 HydrophobicContact CG-CG2 3.77Å; Q69-I428 PolarHBondContact OE1-O 3.08Å; Q69-H444 HydrophobicContact CB-CB 3.93Å; Q69-H444 HydrophobicContact CG-CB 3.83Å |
| 70 | M | 98.8 | Very high | 98.8 | Very high | 77 Ų | 77 | 28.2 Ų | 28.2 | 38% | 0.379 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -68.9 | -30.9 | 177.2 | -70.9 | 174.8 | 59.9 | 0 | 0 | 112.1 | V68 N73 L74 N442 | V68-M70 VanDerWaalsContact C-N 3.29Å; V68-M70 PolarHBondContact O-N 3.49Å; M70-N73 PolarHBondContact O-N 2.9Å; M70-L74 WeakPolarHBondContact O-CG 3.45Å; M70-L74 PolarHBondContact O-N 2.89Å; M70-N442 WeakPolarHBondContact CA-OD1 3.12Å; M70-N442 PolarHBondContact O-ND2 3.39Å |
| 71 | D | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.7 | -39.2 | 173.3 | -53.5 | -45.5 | 0 | 0 | 0 | 110.6 | V68 Q69 N73 L74 L75 A327 R330 L331 | V68-D71 HydrophobicContact CG2-CB 4.32Å; V68-D71 WeakPolarHBondContact O-CB 3.35Å; V68-D71 PolarHBondContact O-N 3.47Å; Q69-D71 VanDerWaalsContact C-N 3.3Å; Q69-D71 PolarHBondContact O-N 3.33Å; D71-N73 VanDerWaalsContact C-N 3.35Å; D71-N73 PolarHBondContact O-N 3.25Å; D71-L74 WeakPolarHBondContact O-CB 3.45Å; D71-L74 PolarHBondContact O-N 2.92Å; D71-L75 WeakPolarHBondContact O-CB 3.31Å; D71-L75 PolarHBondContact O-N 3.15Å; D71-A327 HydrophobicContact CB-CB 4.12Å; D71-A327 VanDerWaalsContact OD1-CB 3.26Å; D71-A327 WeakPolarHBondContact OD1-CB 3.39Å; D71-R330 IonicContact OD1-CZ 2.69Å; D71-R330 IonicContact OD1-NE 2.93Å; D71-R330 IonicContact OD1-NH2 3.47Å; D71-R330 PolarHBondContact OD1-NH2 2.59Å; D71-R330 IonicContact OD2-CZ 2.75Å; D71-R330 IonicContact OD2-NE 2.92Å; D71-R330 PolarHBondContact OD2-NE 2.78Å; D71-R330 IonicContact OD2-NH2 3.5Å; D71-R330 PolarHBondContact OD2-NH2 3.02Å; D71-R330 VanDerWaalsContact OD2-NH2 3.17Å; D71-L331 HydrophobicContact CB-CD1 4.03Å; D71-L331 HydrophobicContact CB-CD2 4.01Å; D71-L331 HydrophobicContact CB-CG 3.82Å |
| 72 | F | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 173.7 | -88.2 | -67.5 | 0 | 0 | 0 | 112.4 | V68 Q69 L74 L75 V76 Y128 Q142 I145 L331 F335 | V68-F72 HydrophobicContact CB-CD2 4.49Å; V68-F72 HydrophobicContact CG1-CD2 4.06Å; V68-F72 HydrophobicContact CG1-CE2 4Å; V68-F72 HydrophobicContact CG2-CD2 3.89Å; V68-F72 HydrophobicContact CG2-CE2 3.77Å; V68-F72 PolarHBondContact O-N 2.98Å; Q69-F72 PolarHBondContact O-N 2.96Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.36Å; F72-L75 HydrophobicContact CD1-CD2 4.48Å; F72-L75 PolarHBondContact O-N 3.42Å; F72-V76 WeakPolarHBondContact O-CB 3.42Å; F72-V76 VanDerWaalsContact O-CG2 3.32Å; F72-V76 WeakPolarHBondContact O-CG2 3.27Å; F72-V76 PolarHBondContact O-N 3.42Å; F72-Y128 VanDerWaalsContact CD2-OH 3.28Å; F72-Y128 WeakPolarHBondContact CD2-OH 3.34Å; F72-Y128 HydrophobicContact CE2-CE1 4.28Å; F72-Y128 WeakPolarHBondContact CE2-OH 3.35Å; F72-Q142 VanDerWaalsContact CZ-CD 3.47Å; F72-I145 HydrophobicContact CB-CD1 3.9Å; F72-I145 HydrophobicContact CD1-CD1 3.84Å; F72-I145 HydrophobicContact CG-CD1 4.09Å; F72-L331 HydrophobicContact CB-CD2 4.4Å; F72-L331 HydrophobicContact CD1-CD2 3.59Å; F72-L331 HydrophobicContact CD2-CD2 3.66Å; F72-L331 HydrophobicContact CE1-CD2 3.56Å; F72-L331 HydrophobicContact CE2-CD2 3.63Å; F72-L331 HydrophobicContact CG-CD2 3.63Å; F72-L331 HydrophobicContact CZ-CD2 3.59Å; F72-F335 HydrophobicContact CE1-CE1 4.11Å; F72-F335 HydrophobicContact CZ-CE1 4.02Å |
| 73 | N | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 174.4 | -69.3 | -15.8 | 0 | 0 | 0 | 111.5 | Q69 M70 D71 D77 N124 V431 Y432 N442 K443 | Q69-N73 PolarHBondContact NE2-OD1 2.81Å; Q69-N73 VanDerWaalsContact O-CG 3.3Å; Q69-N73 PolarHBondContact O-N 3.38Å; Q69-N73 PolarHBondContact O-OD1 2.81Å; M70-N73 PolarHBondContact O-N 2.9Å; D71-N73 VanDerWaalsContact C-N 3.35Å; D71-N73 PolarHBondContact O-N 3.25Å; N73-D77 WeakPolarHBondContact O-CB 3.29Å; N73-D77 PolarHBondContact O-N 3.23Å; N73-D77 VanDerWaalsContact O-N 3.13Å; N73-N124 PolarHBondContact OD1-ND2 3.33Å; N73-N124 PolarHBondContact OD1-OD1 2.68Å; N73-V431 PolarHBondContact ND2-O 2.76Å; N73-Y432 HydrophobicContact CB-CD1 3.82Å; N73-Y432 HydrophobicContact CB-CG 4.36Å; N73-N442 VanDerWaalsContact CB-OD1 3.23Å; N73-N442 WeakPolarHBondContact CB-OD1 3.33Å; N73-N442 PolarHBondContact ND2-OD1 3.5Å; N73-K443 PolarHBondContact ND2-O 2.96Å; N73-K443 VanDerWaalsContact ND2-O 3.12Å |
| 74 | L | 98.9 | Very high | 98.8 | Very high | 45 Ų | 45 | 29.2 Ų | 29.2 | 24% | 0.236 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.9 | -68.5 | 171.2 | 0 | 0 | 0 | 111.5 | M70 D71 F72 D77 A78 L321 L439 | M70-L74 WeakPolarHBondContact O-CG 3.45Å; M70-L74 PolarHBondContact O-N 2.89Å; D71-L74 WeakPolarHBondContact O-CB 3.45Å; D71-L74 PolarHBondContact O-N 2.92Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.36Å; L74-D77 PolarHBondContact O-N 3.01Å; L74-A78 VanDerWaalsContact O-CB 3.29Å; L74-A78 WeakPolarHBondContact O-CB 3.3Å; L74-A78 PolarHBondContact O-N 3.25Å; L74-L321 HydrophobicContact CB-CD2 4.05Å; L74-L439 HydrophobicContact CD2-CD2 3.41Å; L74-L439 VanDerWaalsContact CD2-CD2 3.41Å |
| 75 | L | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | -179 | -176.1 | 61.4 | 0 | 0 | 0 | 112 | D71 F72 D77 A78 V79 L311 L317 L320 L321 L331 | D71-L75 WeakPolarHBondContact O-CB 3.31Å; D71-L75 PolarHBondContact O-N 3.15Å; F72-L75 HydrophobicContact CD1-CD2 4.48Å; F72-L75 PolarHBondContact O-N 3.42Å; L75-D77 VanDerWaalsContact C-N 3.35Å; L75-D77 PolarHBondContact O-N 2.97Å; L75-A78 PolarHBondContact O-N 2.98Å; L75-V79 HydrophobicContact CD1-CG2 4.42Å; L75-V79 WeakPolarHBondContact O-CB 3.34Å; L75-V79 VanDerWaalsContact O-CG2 3.28Å; L75-V79 WeakPolarHBondContact O-CG2 3.43Å; L75-V79 PolarHBondContact O-N 3.4Å; L75-L311 HydrophobicContact CD1-CD2 4.05Å; L75-L311 HydrophobicContact CD2-CD1 4Å; L75-L311 HydrophobicContact CD2-CD2 4.43Å; L75-L311 HydrophobicContact CG-CD1 4.37Å; L75-L311 HydrophobicContact CG-CD2 4.45Å; L75-L317 HydrophobicContact CD1-CD2 3.88Å; L75-L317 HydrophobicContact CD2-CD2 3.61Å; L75-L317 HydrophobicContact CG-CD2 4.42Å; L75-L320 HydrophobicContact CD1-CB 4.03Å; L75-L320 HydrophobicContact CD1-CD1 4.05Å; L75-L321 HydrophobicContact CB-CD1 4.23Å; L75-L321 HydrophobicContact CD1-CD1 4.18Å; L75-L321 HydrophobicContact CD1-CG 4.25Å; L75-L331 HydrophobicContact CB-CD1 4.4Å; L75-L331 HydrophobicContact CD2-CD1 4.17Å; L75-L331 HydrophobicContact CD2-CD2 4.18Å |
| 76 | V | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 179.4 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | F72 V79 S80 I145 T147 T299 A302 Y432 | F72-V76 WeakPolarHBondContact O-CB 3.42Å; F72-V76 VanDerWaalsContact O-CG2 3.32Å; F72-V76 WeakPolarHBondContact O-CG2 3.27Å; F72-V76 PolarHBondContact O-N 3.42Å; V76-V79 PolarHBondContact O-N 2.85Å; V76-S80 PolarHBondContact O-N 3.27Å; V76-I145 HydrophobicContact CG2-CD1 3.62Å; V76-I145 HydrophobicContact CG2-CG1 4.47Å; V76-T147 HydrophobicContact CG1-CG2 3.91Å; V76-T147 HydrophobicContact CG2-CG2 4.2Å; V76-T299 HydrophobicContact CG1-CG2 3.86Å; V76-A302 HydrophobicContact CG1-CB 4.3Å; V76-Y432 HydrophobicContact CG1-CE1 4.32Å |
| 77 | D | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.9 | -38.4 | 177 | -171.4 | 50.5 | 0 | 0 | 0 | 111.9 | N73 L74 L75 S80 Q81 Y432 R434 | N73-D77 WeakPolarHBondContact O-CB 3.29Å; N73-D77 PolarHBondContact O-N 3.23Å; N73-D77 VanDerWaalsContact O-N 3.13Å; L74-D77 PolarHBondContact O-N 3.01Å; L75-D77 VanDerWaalsContact C-N 3.35Å; L75-D77 PolarHBondContact O-N 2.97Å; D77-S80 PolarHBondContact O-N 3.25Å; D77-S80 PolarHBondContact O-OG 3.48Å; D77-Q81 VanDerWaalsContact CG-NE2 3.26Å; D77-Q81 VanDerWaalsContact O-CG 3.31Å; D77-Q81 WeakPolarHBondContact O-CG 3.27Å; D77-Q81 PolarHBondContact O-N 2.69Å; D77-Q81 PolarHBondContact O-NE2 2.8Å; D77-Q81 PolarHBondContact OD2-NE2 2.83Å; D77-Y432 HydrophobicContact CB-CD2 4.36Å; D77-Y432 HydrophobicContact CB-CE2 3.86Å; D77-R434 VanDerWaalsContact CG-NE 3.34Å; D77-R434 IonicContact OD1-CZ 3.29Å; D77-R434 VanDerWaalsContact OD1-CZ 3.27Å; D77-R434 IonicContact OD1-NE 3.04Å; D77-R434 PolarHBondContact OD1-NE 3.48Å; D77-R434 IonicContact OD1-NH2 3.37Å; D77-R434 PolarHBondContact OD1-NH2 3.39Å; D77-R434 WeakPolarHBondContact OD2-CD 3.34Å; D77-R434 IonicContact OD2-CZ 3.18Å; D77-R434 IonicContact OD2-NE 2.69Å; D77-R434 PolarHBondContact OD2-NE 3.18Å |
| 78 | A | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L74 L75 Q81 N82 L321 | L74-A78 VanDerWaalsContact O-CB 3.29Å; L74-A78 WeakPolarHBondContact O-CB 3.3Å; L74-A78 PolarHBondContact O-N 3.25Å; L75-A78 PolarHBondContact O-N 2.98Å; A78-Q81 PolarHBondContact O-N 3.38Å; A78-N82 PolarHBondContact O-N 3.33Å; A78-L321 HydrophobicContact CB-CD2 4.22Å |
| 79 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | L75 V76 Q81 N82 F85 L86 A302 V307 L311 L320 | L75-V79 HydrophobicContact CD1-CG2 4.42Å; L75-V79 WeakPolarHBondContact O-CB 3.34Å; L75-V79 VanDerWaalsContact O-CG2 3.28Å; L75-V79 WeakPolarHBondContact O-CG2 3.43Å; L75-V79 PolarHBondContact O-N 3.4Å; V76-V79 PolarHBondContact O-N 2.85Å; V79-Q81 PolarHBondContact O-N 3Å; V79-N82 PolarHBondContact O-N 2.98Å; V79-F85 HydrophobicContact CB-CE1 4.44Å; V79-F85 HydrophobicContact CG1-CD1 3.94Å; V79-F85 HydrophobicContact CG1-CE1 3.76Å; V79-F85 HydrophobicContact CG2-CD1 4.37Å; V79-F85 HydrophobicContact CG2-CE1 3.94Å; V79-L86 HydrophobicContact CG1-CD2 3.8Å; V79-L86 HydrophobicContact CG1-CG 4.32Å; V79-A302 HydrophobicContact CB-CB 4.06Å; V79-A302 HydrophobicContact CG1-CB 3.51Å; V79-V307 HydrophobicContact CG1-CG1 4.01Å; V79-L311 HydrophobicContact CG2-CD1 4.44Å; V79-L311 HydrophobicContact CG2-CD2 3.94Å; V79-L320 HydrophobicContact CG2-CD1 3.73Å; V79-L320 HydrophobicContact CG2-CD2 4.2Å |
| 80 | S | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -26.7 | -178.1 | 72.6 | 0 | 0 | 0 | 0 | 112.9 | V76 D77 A298 T299 | V76-S80 PolarHBondContact O-N 3.27Å; D77-S80 PolarHBondContact O-N 3.25Å; D77-S80 PolarHBondContact O-OG 3.48Å; S80-A298 WeakPolarHBondContact O-CB 3.4Å; S80-T299 VanDerWaalsContact CB-OG1 3.3Å; S80-T299 WeakPolarHBondContact CB-OG1 3.47Å; S80-T299 PolarHBondContact OG-OG1 3.2Å |
| 81 | Q | 98.8 | Very high | 98.8 | Very high | 97 Ų | 97 | 31.8 Ų | 31.8 | 45% | 0.453 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -80.9 | -20.3 | 175 | -71.1 | 171.5 | 92.9 | 0 | 0 | 113.6 | D77 A78 V79 A83 | D77-Q81 VanDerWaalsContact CG-NE2 3.26Å; D77-Q81 VanDerWaalsContact O-CG 3.31Å; D77-Q81 WeakPolarHBondContact O-CG 3.27Å; D77-Q81 PolarHBondContact O-N 2.69Å; D77-Q81 PolarHBondContact O-NE2 2.8Å; D77-Q81 PolarHBondContact OD2-NE2 2.83Å; A78-Q81 PolarHBondContact O-N 3.38Å; V79-Q81 PolarHBondContact O-N 3Å; Q81-A83 PolarHBondContact O-N 3.27Å |
| 82 | N | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 33.2 Ų | 33.2 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | trans | -95.4 | 84 | -176.7 | -165.9 | -28.6 | 0 | 0 | 0 | 111.6 | A78 V79 A84 F85 L86 L320 | A78-N82 PolarHBondContact O-N 3.33Å; V79-N82 PolarHBondContact O-N 2.98Å; N82-A84 VanDerWaalsContact C-N 3.3Å; N82-A84 PolarHBondContact O-N 2.86Å; N82-A84 PolarHBondContact OD1-N 2.66Å; N82-F85 HydrophobicContact CB-CB 3.92Å; N82-F85 VanDerWaalsContact CG-CB 3.47Å; N82-F85 WeakPolarHBondContact O-CB 3.44Å; N82-F85 PolarHBondContact O-N 3.22Å; N82-F85 WeakPolarHBondContact OD1-CB 3.19Å; N82-F85 PolarHBondContact OD1-N 2.81Å; N82-L86 PolarHBondContact O-N 3.03Å; N82-L86 VanDerWaalsContact O-N 3.09Å; N82-L320 HydrophobicContact CB-CD2 4.25Å | ||
| 83 | A | 98.5 | Very high | 98.7 | Very high | 33 Ų | 33 | 33 Ų | 33 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.8 | -37.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q81 L86 E87 L111 | Q81-A83 PolarHBondContact O-N 3.27Å; A83-L86 PolarHBondContact O-N 3.21Å; A83-E87 WeakPolarHBondContact O-CB 3.44Å; A83-E87 PolarHBondContact O-N 3.43Å; A83-L111 HydrophobicContact CB-CD1 3.71Å |
| 84 | A | 98.6 | Very high | 98.7 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67 | -41 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N82 E87 Q88 | N82-A84 VanDerWaalsContact C-N 3.3Å; N82-A84 PolarHBondContact O-N 2.86Å; N82-A84 PolarHBondContact OD1-N 2.66Å; A84-E87 PolarHBondContact O-N 2.85Å; A84-Q88 WeakPolarHBondContact O-CB 3.37Å; A84-Q88 PolarHBondContact O-N 3.4Å |
| 85 | F | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -52.1 | 173.6 | 172.8 | -99.7 | 0 | 0 | 0 | 111.1 | V79 N82 E87 Q88 T89 V307 E310 L311 M319 L320 | V79-F85 HydrophobicContact CB-CE1 4.44Å; V79-F85 HydrophobicContact CG1-CD1 3.94Å; V79-F85 HydrophobicContact CG1-CE1 3.76Å; V79-F85 HydrophobicContact CG2-CD1 4.37Å; V79-F85 HydrophobicContact CG2-CE1 3.94Å; N82-F85 HydrophobicContact CB-CB 3.92Å; N82-F85 VanDerWaalsContact CG-CB 3.47Å; N82-F85 WeakPolarHBondContact O-CB 3.44Å; N82-F85 PolarHBondContact O-N 3.22Å; N82-F85 WeakPolarHBondContact OD1-CB 3.19Å; N82-F85 PolarHBondContact OD1-N 2.81Å; F85-E87 VanDerWaalsContact C-N 3.32Å; F85-E87 PolarHBondContact O-N 3.31Å; F85-Q88 PolarHBondContact O-N 2.71Å; F85-T89 WeakPolarHBondContact CE2-OG1 3.44Å; F85-T89 WeakPolarHBondContact O-CB 3.38Å; F85-T89 PolarHBondContact O-N 2.84Å; F85-T89 PolarHBondContact O-OG1 3.33Å; F85-T89 VanDerWaalsContact O-OG1 3.07Å; F85-V307 HydrophobicContact CE1-CG1 4.15Å; F85-E310 HydrophobicContact CZ-CB 4.42Å; F85-L311 HydrophobicContact CE1-CD2 4.41Å; F85-L311 HydrophobicContact CZ-CD2 3.91Å; F85-L311 HydrophobicContact CZ-CG 4.33Å; F85-M319 HydrophobicContact CD2-CE 3.71Å; F85-M319 HydrophobicContact CE2-CE 4.3Å; F85-M319 HydrophobicContact CG-CE 4.43Å; F85-L320 HydrophobicContact CE1-CD1 4.33Å; F85-L320 HydrophobicContact CE2-CD1 4.27Å; F85-L320 HydrophobicContact CG-CD2 4.43Å; F85-L320 HydrophobicContact CZ-CD1 4.12Å |
| 86 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58 | -43.8 | 178.8 | -75.4 | 174 | 0 | 0 | 0 | 112.4 | V79 N82 A83 L90 A298 L301 V307 | V79-L86 HydrophobicContact CG1-CD2 3.8Å; V79-L86 HydrophobicContact CG1-CG 4.32Å; N82-L86 PolarHBondContact O-N 3.03Å; N82-L86 VanDerWaalsContact O-N 3.09Å; A83-L86 PolarHBondContact O-N 3.21Å; L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 3.38Å; L86-A298 HydrophobicContact CD1-CB 4.17Å; L86-L301 HydrophobicContact CD2-CB 4.06Å; L86-V307 HydrophobicContact CD2-CG2 4Å |
| 87 | E | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 43.9 Ų | 43.9 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -48.5 | 177.7 | 177.3 | 163.8 | -151 | 0 | 0 | 112.5 | A83 A84 F85 S91 F104 K108 | A83-E87 WeakPolarHBondContact O-CB 3.44Å; A83-E87 PolarHBondContact O-N 3.43Å; A84-E87 PolarHBondContact O-N 2.85Å; F85-E87 VanDerWaalsContact C-N 3.32Å; F85-E87 PolarHBondContact O-N 3.31Å; E87-S91 WeakPolarHBondContact O-CA 3.49Å; E87-S91 VanDerWaalsContact O-CB 3.27Å; E87-S91 WeakPolarHBondContact O-CB 3.4Å; E87-S91 PolarHBondContact O-N 3.39Å; E87-F104 HydrophobicContact CB-CE2 4.32Å; E87-F104 HydrophobicContact CB-CZ 3.78Å; E87-F104 HydrophobicContact CG-CZ 4.01Å; E87-K108 IonicContact OE1-NZ 3.52Å; E87-K108 PolarHBondContact OE1-NZ 3.36Å; E87-K108 IonicContact OE2-NZ 3.38Å; E87-K108 PolarHBondContact OE2-NZ 3.45Å |
| 88 | Q | 98.6 | Very high | 98.6 | Very high | 152 Ų | 152 | 48.2 Ų | 48.2 | 71% | 0.71 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.2 | -49.3 | 179.3 | -177.6 | 173.5 | -9.9 | 0 | 0 | 111 | A84 F85 L90 S91 | A84-Q88 WeakPolarHBondContact O-CB 3.37Å; A84-Q88 PolarHBondContact O-N 3.4Å; F85-Q88 PolarHBondContact O-N 2.71Å; Q88-L90 VanDerWaalsContact C-N 3.32Å; Q88-L90 PolarHBondContact O-N 3.34Å; Q88-S91 PolarHBondContact O-N 3.17Å; Q88-S91 PolarHBondContact O-OG 2.86Å |
| 89 | T | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -39.4 | -178.7 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | F85 K306 V307 E310 | F85-T89 WeakPolarHBondContact CE2-OG1 3.44Å; F85-T89 WeakPolarHBondContact O-CB 3.38Å; F85-T89 PolarHBondContact O-N 2.84Å; F85-T89 PolarHBondContact O-OG1 3.33Å; F85-T89 VanDerWaalsContact O-OG1 3.07Å; T89-K306 HydrophobicContact CG2-CG 4.03Å; T89-K306 VanDerWaalsContact O-CE 3.26Å; T89-K306 WeakPolarHBondContact O-CE 3.14Å; T89-K306 WeakPolarHBondContact O-CG 3.39Å; T89-V307 HydrophobicContact CG2-CB 4.42Å; T89-V307 HydrophobicContact CG2-CG2 3.69Å; T89-E310 HydrophobicContact CG2-CB 3.94Å; T89-E310 HydrophobicContact CG2-CG 3.66Å |
| 90 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -98.5 | -2.1 | -175.1 | -59.8 | 176.2 | 0 | 0 | 0 | 113.7 | L86 Q88 S92 T93 I94 T100 F104 L301 K306 V307 | L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 WeakPolarHBondContact O-CG 3.39Å; L86-L90 PolarHBondContact O-N 3.38Å; Q88-L90 VanDerWaalsContact C-N 3.32Å; Q88-L90 PolarHBondContact O-N 3.34Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 3.02Å; L90-T93 WeakPolarHBondContact O-CB 3.3Å; L90-T93 PolarHBondContact O-N 3.48Å; L90-I94 HydrophobicContact CB-CG2 4.07Å; L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 WeakPolarHBondContact O-CG2 3.34Å; L90-I94 PolarHBondContact O-N 3.26Å; L90-T100 HydrophobicContact CD1-CG2 4.37Å; L90-T100 HydrophobicContact CD2-CG2 4.39Å; L90-F104 HydrophobicContact CD1-CD2 4.15Å; L90-L301 HydrophobicContact CD1-CB 4.24Å; L90-L301 HydrophobicContact CD1-CD2 3.82Å; L90-L301 HydrophobicContact CD1-CG 4.45Å; L90-K306 HydrophobicContact CD2-CB 3.91Å; L90-K306 HydrophobicContact CD2-CG 3.94Å; L90-V307 HydrophobicContact CD2-CG2 4.39Å |
| 91 | S | 98.3 | Very high | 98.5 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 34% | 0.343 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -38.8 | -172.4 | 59.5 | 0 | 0 | 0 | 0 | 114.9 | E87 Q88 K95 | E87-S91 WeakPolarHBondContact O-CA 3.49Å; E87-S91 VanDerWaalsContact O-CB 3.27Å; E87-S91 WeakPolarHBondContact O-CB 3.4Å; E87-S91 PolarHBondContact O-N 3.39Å; Q88-S91 PolarHBondContact O-N 3.17Å; Q88-S91 PolarHBondContact O-OG 2.86Å; S91-K95 WeakPolarHBondContact O-CE 3.21Å |
| 92 | S | 97.9 | Very high | 98.5 | Very high | 40 Ų | 40 | 48 Ų | 48 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -42.4 | 174.9 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | L90 I94 K95 | L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 3.02Å; S92-I94 PolarHBondContact O-N 2.88Å; S92-K95 WeakPolarHBondContact O-CB 3.18Å; S92-K95 PolarHBondContact O-N 3.5Å |
| 93 | T | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | -178.7 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | L90 K95 Q96 D97 T100 Q366 A393 | L90-T93 WeakPolarHBondContact O-CB 3.3Å; L90-T93 PolarHBondContact O-N 3.48Å; T93-K95 PolarHBondContact O-N 3.46Å; T93-K95 VanDerWaalsContact O-N 3.14Å; T93-Q96 PolarHBondContact O-N 3.19Å; T93-D97 HydrophobicContact CG2-CB 4.33Å; T93-D97 PolarHBondContact O-N 3.25Å; T93-T100 HydrophobicContact CG2-CG2 4.08Å; T93-Q366 HydrophobicContact CG2-CG 3.59Å; T93-A393 PolarHBondContact OG1-O 2.91Å |
| 94 | I | 98.5 | Very high | 98.6 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -14.3 | -178.9 | 66.7 | 175.7 | 0 | 0 | 0 | 113.9 | L90 S92 T100 A101 F104 | L90-I94 HydrophobicContact CB-CG2 4.07Å; L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 WeakPolarHBondContact O-CG2 3.34Å; L90-I94 PolarHBondContact O-N 3.26Å; S92-I94 PolarHBondContact O-N 2.88Å; I94-T100 HydrophobicContact CG2-CG2 4.09Å; I94-A101 HydrophobicContact CB-CB 4.11Å; I94-A101 VanDerWaalsContact O-CB 3.25Å; I94-A101 WeakPolarHBondContact O-CB 3.31Å; I94-F104 HydrophobicContact CD1-CD1 3.65Å; I94-F104 HydrophobicContact CD1-CE1 3.82Å; I94-F104 HydrophobicContact CD1-CG 4.38Å; I94-F104 HydrophobicContact CG2-CB 3.83Å; I94-F104 HydrophobicContact CG2-CD1 4.28Å; I94-F104 HydrophobicContact CG2-CG 3.98Å |
| 95 | K | 98.4 | Very high | 98.6 | Very high | 158 Ų | 158 | 45.6 Ų | 45.6 | 69% | 0.687 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -81.4 | -21.1 | 173.4 | -63.3 | 174 | -174.8 | 172.7 | 0 | 112.3 | S91 S92 T93 | S91-K95 WeakPolarHBondContact O-CE 3.21Å; S92-K95 WeakPolarHBondContact O-CB 3.18Å; S92-K95 PolarHBondContact O-N 3.5Å; T93-K95 PolarHBondContact O-N 3.46Å; T93-K95 VanDerWaalsContact O-N 3.14Å |
| 96 | Q | 98.1 | Very high | 98.6 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -118.1 | -17 | -169.3 | -54.4 | -57.9 | -26.6 | 0 | 0 | 112.9 | T93 E390 A393 S394 | T93-Q96 PolarHBondContact O-N 3.19Å; Q96-E390 WeakPolarHBondContact CG-O 3.32Å; Q96-A393 HydrophobicContact CG-CB 4.21Å; Q96-S394 WeakPolarHBondContact CB-OG 3.32Å; Q96-S394 PolarHBondContact O-OG 3.23Å; Q96-S394 VanDerWaalsContact O-OG 3.14Å |
| 97 | D | 98.3 | Very high | 98.6 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | trans | -124.4 | 101.6 | 179.4 | -173.8 | 67.1 | 0 | 0 | 0 | 111.8 | T93 F99 T100 A101 R367 | T93-D97 HydrophobicContact CG2-CB 4.33Å; T93-D97 PolarHBondContact O-N 3.25Å; D97-F99 PolarHBondContact O-N 3.27Å; D97-T100 PolarHBondContact O-N 3.48Å; D97-T100 WeakPolarHBondContact OD2-CB 3.35Å; D97-T100 PolarHBondContact OD2-N 3Å; D97-T100 PolarHBondContact OD2-OG1 3.13Å; D97-A101 WeakPolarHBondContact O-CB 3.26Å; D97-A101 PolarHBondContact O-N 3.46Å; D97-R367 VanDerWaalsContact CG-NH1 3.28Å; D97-R367 IonicContact OD1-CZ 3.19Å; D97-R367 IonicContact OD1-NH1 2.78Å; D97-R367 PolarHBondContact OD1-NH1 3.5Å; D97-R367 IonicContact OD1-NH2 2.69Å; D97-R367 PolarHBondContact OD1-NH2 2.73Å; D97-R367 IonicContact OD2-CZ 2.72Å; D97-R367 IonicContact OD2-NH1 2.84Å; D97-R367 PolarHBondContact OD2-NH1 3.47Å | ||
| 98 | D | 98.5 | Very high | 98.6 | Very high | 100 Ų | 100 | 44.9 Ų | 44.9 | 54% | 0.535 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56 | -36.6 | -178.3 | -178.9 | 64.8 | 0 | 0 | 0 | 112.7 | A101 R102 | D98-A101 WeakPolarHBondContact O-CB 3.39Å; D98-A101 PolarHBondContact O-N 3.04Å; D98-R102 WeakPolarHBondContact O-CG 3.4Å; D98-R102 PolarHBondContact O-N 2.91Å; D98-R102 IonicContact OD1-CZ 3.25Å; D98-R102 IonicContact OD1-NE 2.76Å; D98-R102 PolarHBondContact OD1-NE 3.22Å; D98-R102 IonicContact OD1-NH2 2.86Å; D98-R102 IonicContact OD2-CZ 3.82Å; D98-R102 IonicContact OD2-NE 2.71Å; D98-R102 PolarHBondContact OD2-NE 3.27Å; D98-R102 IonicContact OD2-NH2 2.86Å; D98-R102 PolarHBondContact OD2-NH2 3.04Å; D98-R102 VanDerWaalsContact OD2-NH2 3.08Å |
| 99 | F | 98.6 | Very high | 98.6 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -51.5 | -180 | 178.9 | -113.4 | 0 | 0 | 0 | 112 | D97 A101 R102 L103 P272 Y275 W280 | D97-F99 PolarHBondContact O-N 3.27Å; F99-A101 VanDerWaalsContact C-N 3.27Å; F99-A101 PolarHBondContact O-N 3.44Å; F99-R102 PolarHBondContact O-N 3.49Å; F99-L103 HydrophobicContact CD1-CD1 4.14Å; F99-L103 HydrophobicContact CE1-CD1 3.67Å; F99-L103 HydrophobicContact CE2-CD1 4.41Å; F99-L103 HydrophobicContact CE2-CG 4.48Å; F99-L103 HydrophobicContact CZ-CD1 3.81Å; F99-L103 HydrophobicContact CZ-CD2 4.46Å; F99-L103 HydrophobicContact CZ-CG 4.33Å; F99-L103 WeakPolarHBondContact O-CG 3.38Å; F99-L103 PolarHBondContact O-N 2.86Å; F99-L103 VanDerWaalsContact O-N 3.1Å; F99-P272 HydrophobicContact CB-CB 4.3Å; F99-P272 HydrophobicContact CB-CG 3.81Å; F99-P272 HydrophobicContact CD1-CG 4.29Å; F99-P272 HydrophobicContact CD2-CB 3.96Å; F99-P272 HydrophobicContact CD2-CG 3.87Å; F99-P272 HydrophobicContact CG-CB 4.26Å; F99-P272 HydrophobicContact CG-CG 3.72Å; F99-Y275 AromaticContact CE2-CD2 3.87Å; F99-Y275 HydrophobicContact CE2-CD2 3.87Å; F99-Y275 AromaticContact CE2-CE2 3.9Å; F99-Y275 HydrophobicContact CE2-CE2 3.9Å; F99-W280 AromaticContact CD2-CH2 3.91Å; F99-W280 HydrophobicContact CD2-CH2 3.91Å; F99-W280 AromaticContact CD2-CZ2 3.81Å; F99-W280 HydrophobicContact CD2-CZ2 3.81Å; F99-W280 AromaticContact CE2-CH2 3.88Å; F99-W280 HydrophobicContact CE2-CH2 3.88Å; F99-W280 HydrophobicContact CE2-CZ2 4.06Å |
| 100 | T | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -37.1 | 175.4 | -54 | 0 | 0 | 0 | 0 | 110.8 | L90 T93 I94 D97 R102 L103 F104 L301 Q366 | L90-T100 HydrophobicContact CD1-CG2 4.37Å; L90-T100 HydrophobicContact CD2-CG2 4.39Å; T93-T100 HydrophobicContact CG2-CG2 4.08Å; I94-T100 HydrophobicContact CG2-CG2 4.09Å; D97-T100 PolarHBondContact O-N 3.48Å; D97-T100 WeakPolarHBondContact OD2-CB 3.35Å; D97-T100 PolarHBondContact OD2-N 3Å; D97-T100 PolarHBondContact OD2-OG1 3.13Å; T100-R102 PolarHBondContact O-N 2.89Å; T100-L103 PolarHBondContact O-N 3.46Å; T100-F104 VanDerWaalsContact O-CB 3.26Å; T100-F104 WeakPolarHBondContact O-CB 3.49Å; T100-F104 PolarHBondContact O-N 3.47Å; T100-L301 HydrophobicContact CG2-CD2 4.4Å; T100-Q366 WeakPolarHBondContact OG1-CB 3.45Å |
| 101 | A | 98.8 | Very high | 98.6 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 21% | 0.207 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I94 D97 D98 F99 F104 D105 | I94-A101 HydrophobicContact CB-CB 4.11Å; I94-A101 VanDerWaalsContact O-CB 3.25Å; I94-A101 WeakPolarHBondContact O-CB 3.31Å; D97-A101 WeakPolarHBondContact O-CB 3.26Å; D97-A101 PolarHBondContact O-N 3.46Å; D98-A101 WeakPolarHBondContact O-CB 3.39Å; D98-A101 PolarHBondContact O-N 3.04Å; F99-A101 VanDerWaalsContact C-N 3.27Å; F99-A101 PolarHBondContact O-N 3.44Å; A101-F104 PolarHBondContact O-N 3.24Å; A101-D105 WeakPolarHBondContact O-CB 3.5Å; A101-D105 PolarHBondContact O-N 3.34Å |
| 102 | R | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.7 | -39.4 | 178.2 | -69.3 | -178.3 | -164.8 | -135.6 | 6.1 | 113.2 | D98 F99 T100 F104 D105 I106 W280 | D98-R102 WeakPolarHBondContact O-CG 3.4Å; D98-R102 PolarHBondContact O-N 2.91Å; D98-R102 IonicContact OD1-CZ 3.25Å; D98-R102 IonicContact OD1-NE 2.76Å; D98-R102 PolarHBondContact OD1-NE 3.22Å; D98-R102 IonicContact OD1-NH2 2.86Å; D98-R102 IonicContact OD2-CZ 3.82Å; D98-R102 IonicContact OD2-NE 2.71Å; D98-R102 PolarHBondContact OD2-NE 3.27Å; D98-R102 IonicContact OD2-NH2 2.86Å; D98-R102 PolarHBondContact OD2-NH2 3.04Å; D98-R102 VanDerWaalsContact OD2-NH2 3.08Å; F99-R102 PolarHBondContact O-N 3.49Å; T100-R102 PolarHBondContact O-N 2.89Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.05Å; R102-D105 PolarHBondContact O-N 3.45Å; R102-I106 PolarHBondContact O-N 3.25Å; R102-I106 VanDerWaalsContact O-N 3.1Å; R102-W280 HydrophobicContact CB-CD2 4.07Å; R102-W280 HydrophobicContact CB-CE3 4.03Å; R102-W280 HydrophobicContact CB-CH2 3.53Å; R102-W280 HydrophobicContact CB-CZ2 3.56Å; R102-W280 HydrophobicContact CB-CZ3 3.76Å; R102-W280 HydrophobicContact CG-CZ2 4.24Å; R102-W280 VanDerWaalsContact NH1-CD1 3.33Å |
| 103 | L | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 171.9 | -66.4 | 173.8 | 0 | 0 | 0 | 110.8 | F99 T100 I106 H107 W280 I297 L301 | F99-L103 HydrophobicContact CD1-CD1 4.14Å; F99-L103 HydrophobicContact CE1-CD1 3.67Å; F99-L103 HydrophobicContact CE2-CD1 4.41Å; F99-L103 HydrophobicContact CE2-CG 4.48Å; F99-L103 HydrophobicContact CZ-CD1 3.81Å; F99-L103 HydrophobicContact CZ-CD2 4.46Å; F99-L103 HydrophobicContact CZ-CG 4.33Å; F99-L103 WeakPolarHBondContact O-CG 3.38Å; F99-L103 PolarHBondContact O-N 2.86Å; F99-L103 VanDerWaalsContact O-N 3.1Å; T100-L103 PolarHBondContact O-N 3.46Å; L103-I106 PolarHBondContact O-N 3.22Å; L103-H107 PolarHBondContact O-N 2.91Å; L103-H107 VanDerWaalsContact O-N 3.13Å; L103-W280 HydrophobicContact CD2-CH2 3.85Å; L103-W280 HydrophobicContact CD2-CZ3 3.82Å; L103-W280 HydrophobicContact CG-CH2 4Å; L103-W280 HydrophobicContact CG-CZ3 4.29Å; L103-I297 HydrophobicContact CB-CD1 4.21Å; L103-I297 HydrophobicContact CD2-CD1 3.62Å; L103-I297 VanDerWaalsContact O-CG1 3.25Å; L103-I297 WeakPolarHBondContact O-CG1 3.28Å; L103-L301 HydrophobicContact CB-CD2 3.82Å |
| 104 | F | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 179.4 | -169.4 | -97.6 | 0 | 0 | 0 | 112.8 | E87 L90 I94 T100 A101 R102 H107 K108 L301 | E87-F104 HydrophobicContact CB-CE2 4.32Å; E87-F104 HydrophobicContact CB-CZ 3.78Å; E87-F104 HydrophobicContact CG-CZ 4.01Å; L90-F104 HydrophobicContact CD1-CD2 4.15Å; I94-F104 HydrophobicContact CD1-CD1 3.65Å; I94-F104 HydrophobicContact CD1-CE1 3.82Å; I94-F104 HydrophobicContact CD1-CG 4.38Å; I94-F104 HydrophobicContact CG2-CB 3.83Å; I94-F104 HydrophobicContact CG2-CD1 4.28Å; I94-F104 HydrophobicContact CG2-CG 3.98Å; T100-F104 VanDerWaalsContact O-CB 3.26Å; T100-F104 WeakPolarHBondContact O-CB 3.49Å; T100-F104 PolarHBondContact O-N 3.47Å; A101-F104 PolarHBondContact O-N 3.24Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.05Å; F104-H107 WeakPolarHBondContact O-CB 3.48Å; F104-H107 PolarHBondContact O-N 2.92Å; F104-K108 HydrophobicContact CD1-CG 4.03Å; F104-K108 HydrophobicContact CE1-CD 4.12Å; F104-K108 HydrophobicContact CE1-CG 3.72Å; F104-K108 HydrophobicContact CZ-CD 4.35Å; F104-K108 HydrophobicContact CZ-CG 4.31Å; F104-K108 WeakPolarHBondContact O-CG 3.29Å; F104-K108 PolarHBondContact O-N 2.8Å; F104-L301 HydrophobicContact CD2-CD1 4.04Å |
| 105 | D | 98.9 | Very high | 98.6 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.7 | -177.2 | 64.8 | 0 | 0 | 0 | 111.6 | A101 R102 H107 K108 Q109 | A101-D105 WeakPolarHBondContact O-CB 3.5Å; A101-D105 PolarHBondContact O-N 3.34Å; R102-D105 PolarHBondContact O-N 3.45Å; D105-H107 VanDerWaalsContact C-N 3.29Å; D105-H107 PolarHBondContact O-N 3.02Å; D105-K108 PolarHBondContact O-N 3.13Å; D105-K108 VanDerWaalsContact O-N 3.13Å; D105-Q109 WeakPolarHBondContact O-CG 3.47Å; D105-Q109 PolarHBondContact O-N 3.22Å; D105-Q109 PolarHBondContact OD2-NE2 2.94Å |
| 106 | I | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.4 | -45.1 | 171.8 | -69.3 | -179.7 | 0 | 0 | 0 | 110.7 | R102 L103 K108 Q109 V110 W280 R283 L284 E287 I297 | R102-I106 PolarHBondContact O-N 3.25Å; R102-I106 VanDerWaalsContact O-N 3.1Å; L103-I106 PolarHBondContact O-N 3.22Å; I106-K108 VanDerWaalsContact C-N 3.34Å; I106-K108 PolarHBondContact O-N 3.32Å; I106-Q109 PolarHBondContact O-N 3.06Å; I106-V110 HydrophobicContact CG2-CG2 4.31Å; I106-V110 WeakPolarHBondContact O-CB 3.29Å; I106-V110 VanDerWaalsContact O-CG2 3.28Å; I106-V110 WeakPolarHBondContact O-CG2 3.46Å; I106-V110 PolarHBondContact O-N 2.94Å; I106-W280 HydrophobicContact CD1-CE3 3.68Å; I106-W280 HydrophobicContact CD1-CZ3 4.01Å; I106-R283 HydrophobicContact CD1-CB 4.06Å; I106-R283 HydrophobicContact CD1-CG 3.76Å; I106-L284 HydrophobicContact CB-CD1 4.44Å; I106-L284 HydrophobicContact CD1-CB 4.2Å; I106-L284 HydrophobicContact CG1-CB 4.23Å; I106-L284 HydrophobicContact CG1-CD1 4.28Å; I106-L284 HydrophobicContact CG2-CD1 3.99Å; I106-E287 HydrophobicContact CG2-CB 3.99Å; I106-E287 HydrophobicContact CG2-CG 3.9Å; I106-I297 HydrophobicContact CB-CD1 4.35Å; I106-I297 HydrophobicContact CB-CG1 4.13Å; I106-I297 HydrophobicContact CG2-CB 4.26Å; I106-I297 HydrophobicContact CG2-CD1 4.18Å; I106-I297 HydrophobicContact CG2-CG1 3.88Å; I106-I297 HydrophobicContact CG2-CG2 4.32Å |
| 107 | H | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.7 | -46.3 | 175.4 | 172.8 | 58.8 | 0 | 0 | 0 | 112.3 | L103 F104 D105 V110 L111 I297 L301 | L103-H107 PolarHBondContact O-N 2.91Å; L103-H107 VanDerWaalsContact O-N 3.13Å; F104-H107 WeakPolarHBondContact O-CB 3.48Å; F104-H107 PolarHBondContact O-N 2.92Å; D105-H107 VanDerWaalsContact C-N 3.29Å; D105-H107 PolarHBondContact O-N 3.02Å; H107-V110 PolarHBondContact O-N 2.72Å; H107-L111 WeakPolarHBondContact CE1-CD1 3.48Å; H107-L111 WeakPolarHBondContact NE2-CD1 3.47Å; H107-L111 WeakPolarHBondContact O-CG 3.32Å; H107-L111 PolarHBondContact O-N 3.38Å; H107-I297 HydrophobicContact CB-CG1 4.43Å; H107-I297 HydrophobicContact CB-CG2 3.84Å; H107-L301 HydrophobicContact CB-CD1 3.75Å |
| 108 | K | 98.8 | Very high | 98.6 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 30% | 0.3 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 177.2 | -75.1 | -65.3 | -160.9 | 172.7 | 0 | 112.6 | E87 F104 D105 I106 L111 K112 | E87-K108 IonicContact OE1-NZ 3.52Å; E87-K108 PolarHBondContact OE1-NZ 3.36Å; E87-K108 IonicContact OE2-NZ 3.38Å; E87-K108 PolarHBondContact OE2-NZ 3.45Å; F104-K108 HydrophobicContact CD1-CG 4.03Å; F104-K108 HydrophobicContact CE1-CD 4.12Å; F104-K108 HydrophobicContact CE1-CG 3.72Å; F104-K108 HydrophobicContact CZ-CD 4.35Å; F104-K108 HydrophobicContact CZ-CG 4.31Å; F104-K108 WeakPolarHBondContact O-CG 3.29Å; F104-K108 PolarHBondContact O-N 2.8Å; D105-K108 PolarHBondContact O-N 3.13Å; D105-K108 VanDerWaalsContact O-N 3.13Å; I106-K108 VanDerWaalsContact C-N 3.34Å; I106-K108 PolarHBondContact O-N 3.32Å; K108-L111 PolarHBondContact O-N 3.23Å; K108-K112 VanDerWaalsContact O-CB 3.32Å; K108-K112 WeakPolarHBondContact O-CB 3.35Å; K108-K112 PolarHBondContact O-N 3.15Å |
| 109 | Q | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 44.7 Ų | 44.7 | 36% | 0.355 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 177.5 | -69.4 | -172.7 | 58.1 | 0 | 0 | 111.6 | D105 I106 K112 E113 L284 | D105-Q109 WeakPolarHBondContact O-CG 3.47Å; D105-Q109 PolarHBondContact O-N 3.22Å; D105-Q109 PolarHBondContact OD2-NE2 2.94Å; I106-Q109 PolarHBondContact O-N 3.06Å; Q109-K112 PolarHBondContact O-N 2.97Å; Q109-E113 PolarHBondContact O-N 3.41Å; Q109-L284 HydrophobicContact CB-CD1 4.12Å |
| 110 | V | 98.6 | Very high | 98.7 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 177.4 | 171 | 0 | 0 | 0 | 0 | 111.7 | I106 H107 K112 G114 I115 L284 E287 R288 | I106-V110 HydrophobicContact CG2-CG2 4.31Å; I106-V110 WeakPolarHBondContact O-CB 3.29Å; I106-V110 VanDerWaalsContact O-CG2 3.28Å; I106-V110 WeakPolarHBondContact O-CG2 3.46Å; I106-V110 PolarHBondContact O-N 2.94Å; H107-V110 PolarHBondContact O-N 2.72Å; V110-K112 VanDerWaalsContact C-N 3.34Å; V110-G114 CarbonylContact O-C 3.45Å; V110-G114 PolarHBondContact O-N 3.29Å; V110-I115 HydrophobicContact CG1-CG1 4.02Å; V110-L284 HydrophobicContact CG2-CD1 4.49Å; V110-E287 HydrophobicContact CG2-CB 3.82Å; V110-R288 HydrophobicContact CG2-CG 4.3Å |
| 111 | L | 98.5 | Very high | 98.7 | Very high | 68 Ų | 68 | 45 Ų | 45 | 36% | 0.356 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 174.5 | -75.3 | -178.1 | 0 | 0 | 0 | 112.2 | A83 H107 K108 G114 I115 | A83-L111 HydrophobicContact CB-CD1 3.71Å; H107-L111 WeakPolarHBondContact CE1-CD1 3.48Å; H107-L111 WeakPolarHBondContact NE2-CD1 3.47Å; H107-L111 WeakPolarHBondContact O-CG 3.32Å; H107-L111 PolarHBondContact O-N 3.38Å; K108-L111 PolarHBondContact O-N 3.23Å; L111-G114 PolarHBondContact O-N 3.1Å; L111-I115 HydrophobicContact CD2-CD1 4.05Å; L111-I115 HydrophobicContact CD2-CG1 4.38Å |
| 112 | K | 98.6 | Very high | 98.7 | Very high | 193 Ų | 193 | 43.9 Ų | 43.9 | 84% | 0.839 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.6 | -41 | 179.6 | -177.5 | -177.4 | 178 | -176 | 0 | 112.3 | K108 Q109 V110 G114 | K108-K112 VanDerWaalsContact O-CB 3.32Å; K108-K112 WeakPolarHBondContact O-CB 3.35Å; K108-K112 PolarHBondContact O-N 3.15Å; Q109-K112 PolarHBondContact O-N 2.97Å; V110-K112 VanDerWaalsContact C-N 3.34Å; K112-G114 VanDerWaalsContact C-N 3.31Å |
| 113 | E | 98.4 | Very high | 98.7 | Very high | 84 Ų | 84 | 39.9 Ų | 39.9 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75.1 | -24.4 | 177.1 | -166.5 | 178.4 | 158.5 | 0 | 0 | 112.3 | Q109 R252 R288 | Q109-E113 PolarHBondContact O-N 3.41Å; E113-R252 WeakPolarHBondContact OE1-CD 3.04Å; E113-R252 IonicContact OE1-NH1 2.8Å; E113-R252 PolarHBondContact OE1-NH1 3.4Å; E113-R288 IonicContact OE1-CZ 3.21Å; E113-R288 IonicContact OE1-NE 3.27Å; E113-R288 IonicContact OE1-NH2 2.84Å; E113-R288 PolarHBondContact OE1-NH2 3.42Å; E113-R288 IonicContact OE2-CZ 2.89Å; E113-R288 IonicContact OE2-NE 3.93Å; E113-R288 PolarHBondContact OE2-NE 3.41Å; E113-R288 IonicContact OE2-NH2 3.97Å; E113-R288 PolarHBondContact OE2-NH2 2.95Å |
| 114 | G | 98.3 | Very high | 98.7 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | trans | 91.9 | 128.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V110 L111 K112 A116 R252 | V110-G114 CarbonylContact O-C 3.45Å; V110-G114 PolarHBondContact O-N 3.29Å; L111-G114 PolarHBondContact O-N 3.1Å; K112-G114 VanDerWaalsContact C-N 3.31Å; G114-A116 PolarHBondContact O-N 2.95Å; G114-R252 PolarHBondContact O-NH1 3.24Å; G114-R252 PolarHBondContact O-NH2 3.13Å | ||
| 115 | I | 98.3 | Very high | 98.7 | Very high | 83 Ų | 83 | 39.8 Ų | 39.8 | 43% | 0.426 | 20% | 0.204 | S | C | . | . | trans | -61.4 | 123.8 | -177.5 | -61.2 | 168.5 | 0 | 0 | 0 | 109.5 | V110 L111 Q117 F120 | V110-I115 HydrophobicContact CG1-CG1 4.02Å; L111-I115 HydrophobicContact CD2-CD1 4.05Å; L111-I115 HydrophobicContact CD2-CG1 4.38Å; I115-Q117 HydrophobicContact CG2-CG 3.6Å; I115-F120 HydrophobicContact CG2-CE1 4.24Å; I115-F120 HydrophobicContact CG2-CZ 3.99Å | ||
| 116 | A | 98.4 | Very high | 98.7 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 10% | 0.099 | 18% | 0.182 | C | C | . | . | trans | -82.9 | -37.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G114 R252 R288 | G114-A116 PolarHBondContact O-N 2.95Å; A116-R252 VanDerWaalsContact CA-NH2 3.27Å; A116-R252 HydrophobicContact CB-CB 4.36Å; A116-R288 VanDerWaalsContact CB-O 3.26Å; A116-R288 WeakPolarHBondContact CB-O 3.43Å | ||
| 117 | Q | 97.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | trans | -68.7 | 139.2 | -179.5 | 65.4 | -177.9 | 5.6 | 0 | 0 | 111.5 | I115 F120 A291 K293 D296 | I115-Q117 HydrophobicContact CG2-CG 3.6Å; Q117-F120 HydrophobicContact CG-CD1 4.38Å; Q117-F120 HydrophobicContact CG-CE1 3.88Å; Q117-F120 HydrophobicContact CG-CE2 4.49Å; Q117-F120 HydrophobicContact CG-CZ 3.92Å; Q117-F120 VanDerWaalsContact NE2-CD1 3.32Å; Q117-A291 WeakPolarHBondContact CB-O 3.38Å; Q117-A291 PolarHBondContact OE1-O 3.45Å; Q117-K293 VanDerWaalsContact CD-NZ 3.33Å; Q117-K293 VanDerWaalsContact OE1-N 3.07Å; Q117-D296 PolarHBondContact NE2-OD2 2.82Å | ||
| 118 | T | 98.6 | Very high | 98.7 | Very high | 60 Ų | 60 | 35.1 Ų | 35.1 | 37% | 0.368 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -107.3 | -9.7 | 175 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | E436 | T118-E436 WeakPolarHBondContact CB-OE1 3.49Å; T118-E436 WeakPolarHBondContact CG2-OE1 3.31Å; T118-E436 PolarHBondContact O-N 3.39Å |
| 119 | V | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.4 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | A195 L198 A292 V433 | V119-A195 HydrophobicContact CG1-CB 3.82Å; V119-L198 HydrophobicContact CG1-CB 4.12Å; V119-L198 HydrophobicContact CG1-CD1 4.32Å; V119-L198 HydrophobicContact CG2-CB 3.64Å; V119-A292 HydrophobicContact CB-CB 3.99Å; V119-A292 HydrophobicContact CG1-CB 3.99Å; V119-A292 VanDerWaalsContact O-CB 3.31Å; V119-A292 WeakPolarHBondContact O-CB 3.5Å; V119-V433 HydrophobicContact CG1-CG1 4.29Å |
| 120 | F | 98.9 | Very high | 98.5 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.3 | -175.7 | -60 | -101.6 | 0 | 0 | 0 | 108.7 | I115 Q117 D296 V433 R434 | I115-F120 HydrophobicContact CG2-CE1 4.24Å; I115-F120 HydrophobicContact CG2-CZ 3.99Å; Q117-F120 HydrophobicContact CG-CD1 4.38Å; Q117-F120 HydrophobicContact CG-CE1 3.88Å; Q117-F120 HydrophobicContact CG-CE2 4.49Å; Q117-F120 HydrophobicContact CG-CZ 3.92Å; Q117-F120 VanDerWaalsContact NE2-CD1 3.32Å; F120-D296 WeakPolarHBondContact CD1-OD2 3.33Å; F120-V433 CarbonylContact O-C 3.5Å; F120-V433 VanDerWaalsContact O-CA 3.3Å; F120-V433 WeakPolarHBondContact O-CA 3.35Å; F120-R434 HydrophobicContact CB-CB 4.28Å; F120-R434 VanDerWaalsContact CE2-NH1 3.32Å; F120-R434 VanDerWaalsContact CG-NH1 3.29Å; F120-R434 PolarHBondContact N-O 3.34Å; F120-R434 PolarHBondContact O-N 3.22Å |
| 121 | L | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147.1 | 176.2 | 72.1 | 162.2 | 0 | 0 | 0 | 111.7 | I192 A195 V263 A292 K293 C294 Y432 V433 | L121-I192 HydrophobicContact CD1-CG1 4.13Å; L121-A195 HydrophobicContact CB-CB 4.31Å; L121-A195 HydrophobicContact CD1-CB 3.82Å; L121-A195 HydrophobicContact CD2-CB 3.92Å; L121-A195 HydrophobicContact CG-CB 4.24Å; L121-V263 HydrophobicContact CD1-CG1 4.28Å; L121-V263 HydrophobicContact CD2-CG1 4.23Å; L121-A292 HydrophobicContact CD2-CB 3.58Å; L121-K293 VanDerWaalsContact CD2-O 3.3Å; L121-K293 WeakPolarHBondContact CD2-O 3.49Å; L121-C294 HydrophobicContact CD1-CB 3.82Å; L121-C294 HydrophobicContact CD2-CB 3.96Å; L121-C294 HydrophobicContact CG-CB 3.7Å; L121-Y432 VanDerWaalsContact CA-O 3.27Å; L121-Y432 WeakPolarHBondContact CA-O 3.49Å; L121-V433 HydrophobicContact CB-CG2 4.06Å |
| 122 | G | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | V431 Y432 | G122-V431 WeakPolarHBondContact O-CA 3.46Å; G122-Y432 PolarHBondContact N-O 3.24Å; G122-Y432 PolarHBondContact O-N 2.91Å |
| 123 | L | 98.9 | Very high | 97 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 101.8 | 166 | -63 | -172.5 | 0 | 0 | 0 | 107.8 | L188 I192 Y265 C294 V431 | L123-L188 HydrophobicContact CB-CD2 4.03Å; L123-L188 HydrophobicContact CD1-CB 4.21Å; L123-L188 HydrophobicContact CD1-CD2 4.25Å; L123-L188 HydrophobicContact CD2-CB 4.44Å; L123-L188 HydrophobicContact CD2-CD2 3.86Å; L123-L188 HydrophobicContact CG-CD2 4.27Å; L123-I192 HydrophobicContact CD1-CD1 3.79Å; L123-I192 HydrophobicContact CD1-CG1 3.87Å; L123-Y265 HydrophobicContact CD1-CD2 4.47Å; L123-Y265 HydrophobicContact CD1-CE2 4Å; L123-C294 WeakPolarHBondContact CG-SG 3.34Å; L123-V431 HydrophobicContact CD2-CB 4.13Å; L123-V431 HydrophobicContact CD2-CG1 3.77Å; L123-V431 HydrophobicContact CD2-CG2 3.59Å |
| 124 | N | 98.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 168.8 | -173 | 67.7 | 60 | 0 | 0 | 0 | 112 | Q69 N73 N146 F429 G430 | Q69-N124 PolarHBondContact NE2-OD1 3.19Å; N73-N124 PolarHBondContact OD1-ND2 3.33Å; N73-N124 PolarHBondContact OD1-OD1 2.68Å; N124-N146 CarbonylContact C-O 3.21Å; N124-N146 WeakPolarHBondContact CA-O 3.26Å; N124-N146 WeakPolarHBondContact CB-O 3.3Å; N124-F429 WeakPolarHBondContact O-CA 3.49Å; N124-G430 PolarHBondContact N-O 3.35Å; N124-G430 PolarHBondContact O-N 3.09Å; N124-G430 WeakPolarHBondContact OD1-CA 3.47Å |
| 125 | R | 98.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 120.4 | 168.5 | -169.2 | -177.3 | 69.7 | -103.5 | -16.7 | 109.9 | D127 N146 A150 S151 I428 F429 | R125-D127 IonicContact CZ-OD1 2.9Å; R125-D127 IonicContact CZ-OD2 2.69Å; R125-D127 IonicContact NE-OD1 3.96Å; R125-D127 PolarHBondContact NE-OD1 3.5Å; R125-D127 IonicContact NE-OD2 3.43Å; R125-D127 PolarHBondContact NE-OD2 3.16Å; R125-D127 VanDerWaalsContact NE-OD2 3.07Å; R125-D127 IonicContact NH2-OD1 3.54Å; R125-D127 IonicContact NH2-OD2 2.65Å; R125-D127 PolarHBondContact NH2-OD2 3.28Å; R125-N146 HydrophobicContact CB-CB 4.36Å; R125-N146 PolarHBondContact N-O 3.3Å; R125-N146 VanDerWaalsContact NH2-CG 3.27Å; R125-N146 PolarHBondContact NH2-ND2 3.23Å; R125-N146 VanDerWaalsContact NH2-ND2 3.19Å; R125-N146 PolarHBondContact NH2-OD1 2.85Å; R125-N146 PolarHBondContact O-N 2.88Å; R125-A150 HydrophobicContact CB-CB 4.16Å; R125-S151 PolarHBondContact NH1-O 3.42Å; R125-I428 CarbonylContact C-O 3.5Å; R125-I428 VanDerWaalsContact CA-O 3.24Å; R125-I428 WeakPolarHBondContact CA-O 3.42Å; R125-F429 HydrophobicContact CB-CD1 3.95Å; R125-F429 HydrophobicContact CB-CE1 4.04Å; R125-F429 HydrophobicContact CG-CD1 4.1Å; R125-F429 HydrophobicContact CG-CE1 4.09Å; R125-F429 HydrophobicContact CG-CG 4.42Å; R125-F429 HydrophobicContact CG-CZ 4.4Å |
| 126 | S | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.9 | 172.6 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | Y128 Q142 G427 I428 | S126-Y128 WeakPolarHBondContact CB-OH 3.3Å; S126-Y128 WeakPolarHBondContact O-CD2 3.42Å; S126-Y128 VanDerWaalsContact O-CE2 3.28Å; S126-Y128 WeakPolarHBondContact O-CE2 3.37Å; S126-Y128 WeakPolarHBondContact OG-CE2 3.23Å; S126-Y128 PolarHBondContact OG-OH 2.82Å; S126-Q142 PolarHBondContact OG-NE2 2.8Å; S126-G427 CarbonylContact O-C 3.52Å; S126-G427 VanDerWaalsContact O-CA 3.3Å; S126-G427 WeakPolarHBondContact O-CA 3.3Å; S126-I428 PolarHBondContact N-O 3.23Å; S126-I428 PolarHBondContact O-N 3.19Å |
| 127 | D | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.6 | -172 | -70.2 | -61.3 | 0 | 0 | 0 | 111.5 | R125 Q142 I143 E144 N146 E425 L426 G427 R450 | R125-D127 IonicContact CZ-OD1 2.9Å; R125-D127 IonicContact CZ-OD2 2.69Å; R125-D127 IonicContact NE-OD1 3.96Å; R125-D127 PolarHBondContact NE-OD1 3.5Å; R125-D127 IonicContact NE-OD2 3.43Å; R125-D127 PolarHBondContact NE-OD2 3.16Å; R125-D127 VanDerWaalsContact NE-OD2 3.07Å; R125-D127 IonicContact NH2-OD1 3.54Å; R125-D127 IonicContact NH2-OD2 2.65Å; R125-D127 PolarHBondContact NH2-OD2 3.28Å; D127-Q142 CarbonylContact O-C 3.59Å; D127-Q142 WeakPolarHBondContact O-CA 3.39Å; D127-I143 PolarHBondContact O-N 2.94Å; D127-E144 HydrophobicContact CB-CG 4.34Å; D127-E144 PolarHBondContact N-O 2.72Å; D127-N146 PolarHBondContact OD2-ND2 3.36Å; D127-E425 HydrophobicContact CB-CG 4.25Å; D127-E425 WeakPolarHBondContact CB-OE1 3.15Å; D127-L426 CarbonylContact C-O 3.52Å; D127-L426 WeakPolarHBondContact CA-O 3.13Å; D127-G427 WeakPolarHBondContact OD1-CA 3.25Å; D127-R450 IonicContact OD1-CZ 3.82Å; D127-R450 IonicContact OD1-NH2 3.31Å; D127-R450 PolarHBondContact OD1-NH2 2.66Å; D127-R450 IonicContact OD2-NH2 3.78Å; D127-R450 PolarHBondContact OD2-NH2 2.79Å; D127-R450 VanDerWaalsContact OD2-NH2 3.12Å |
| 128 | Y | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148.6 | -171.6 | -52.8 | -89.1 | 0 | 0 | 0 | 112.4 | A65 V68 F72 S126 L140 K141 Q142 T334 E425 L426 I428 | A65-Y128 HydrophobicContact CB-CD2 4.08Å; A65-Y128 HydrophobicContact CB-CE2 4.06Å; V68-Y128 WeakPolarHBondContact CG1-OH 3.44Å; F72-Y128 VanDerWaalsContact CD2-OH 3.28Å; F72-Y128 WeakPolarHBondContact CD2-OH 3.34Å; F72-Y128 HydrophobicContact CE2-CE1 4.28Å; F72-Y128 WeakPolarHBondContact CE2-OH 3.35Å; S126-Y128 WeakPolarHBondContact CB-OH 3.3Å; S126-Y128 WeakPolarHBondContact O-CD2 3.42Å; S126-Y128 VanDerWaalsContact O-CE2 3.28Å; S126-Y128 WeakPolarHBondContact O-CE2 3.37Å; S126-Y128 WeakPolarHBondContact OG-CE2 3.23Å; S126-Y128 PolarHBondContact OG-OH 2.82Å; Y128-L140 VanDerWaalsContact CB-CD1 3.43Å; Y128-L140 HydrophobicContact CD1-CD1 4.06Å; Y128-L140 HydrophobicContact CD1-CD2 3.83Å; Y128-L140 HydrophobicContact CD1-CG 3.64Å; Y128-L140 HydrophobicContact CD2-CD1 4.37Å; Y128-L140 HydrophobicContact CE1-CD2 4.05Å; Y128-L140 HydrophobicContact CE1-CG 4.34Å; Y128-L140 HydrophobicContact CG-CD1 3.71Å; Y128-L140 HydrophobicContact CG-CD2 4.13Å; Y128-L140 HydrophobicContact CG-CG 3.85Å; Y128-K141 CarbonylContact C-O 3.55Å; Y128-K141 WeakPolarHBondContact CA-O 3.25Å; Y128-Q142 HydrophobicContact CD1-CB 3.88Å; Y128-Q142 HydrophobicContact CD1-CG 4.39Å; Y128-Q142 HydrophobicContact CE1-CB 3.84Å; Y128-Q142 HydrophobicContact CE1-CG 4.16Å; Y128-T334 HydrophobicContact CE1-CG2 3.98Å; Y128-E425 CarbonylContact O-C 3.51Å; Y128-E425 VanDerWaalsContact O-CA 3.29Å; Y128-E425 WeakPolarHBondContact O-CA 3.4Å; Y128-E425 WeakPolarHBondContact O-CG 3.38Å; Y128-L426 WeakPolarHBondContact CD2-O 3.27Å; Y128-L426 PolarHBondContact N-O 2.92Å; Y128-L426 PolarHBondContact O-N 3.06Å; Y128-I428 HydrophobicContact CE2-CG1 4.32Å |
| 129 | M | 98.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.064 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 163.6 | 164 | -78.3 | -172.6 | 175.2 | 0 | 0 | 110.2 | K141 I143 I401 P403 I423 E425 | M129-K141 PolarHBondContact N-O 3.5Å; M129-K141 PolarHBondContact O-N 2.86Å; M129-I143 HydrophobicContact CB-CD1 3.93Å; M129-I143 HydrophobicContact CB-CG1 4.15Å; M129-I143 HydrophobicContact CG-CD1 3.83Å; M129-I143 HydrophobicContact CG-CG1 3.81Å; M129-I143 HydrophobicContact SD-CD1 3.94Å; M129-I143 HydrophobicContact SD-CG1 4.36Å; M129-I401 HydrophobicContact CB-CB 4.02Å; M129-I401 HydrophobicContact CB-CG2 3.55Å; M129-I401 HydrophobicContact SD-CB 4.41Å; M129-P403 HydrophobicContact CB-CG 3.95Å; M129-P403 HydrophobicContact CG-CG 4.16Å; M129-P403 HydrophobicContact SD-CG 3.89Å; M129-I423 HydrophobicContact CE-CD1 4.28Å; M129-E425 HydrophobicContact CE-CB 3.97Å; M129-E425 HydrophobicContact CE-CG 4.3Å; M129-E425 HydrophobicContact CG-CB 4.18Å; M129-E425 HydrophobicContact CG-CG 4.1Å |
| 130 | F | 96.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 97.8 | -177.3 | -42.1 | -54.5 | 0 | 0 | 0 | 109.8 | V57 L61 P138 A139 L140 P403 L426 | V57-F130 HydrophobicContact CB-CZ 4.48Å; V57-F130 HydrophobicContact CG1-CE1 4.29Å; V57-F130 HydrophobicContact CG1-CE2 4.16Å; V57-F130 HydrophobicContact CG1-CZ 3.62Å; V57-F130 HydrophobicContact CG2-CE2 4.12Å; V57-F130 HydrophobicContact CG2-CZ 4.17Å; L61-F130 HydrophobicContact CB-CD1 4.32Å; L61-F130 HydrophobicContact CB-CE1 4.35Å; L61-F130 HydrophobicContact CD1-CB 4.18Å; L61-F130 HydrophobicContact CD1-CD1 3.7Å; L61-F130 HydrophobicContact CD1-CE1 4.48Å; L61-F130 HydrophobicContact CD1-CG 4.15Å; F130-P138 HydrophobicContact CB-CB 4.28Å; F130-A139 CarbonylContact C-O 3.52Å; F130-A139 WeakPolarHBondContact CA-O 3.5Å; F130-L140 HydrophobicContact CD1-CD1 4.11Å; F130-L140 HydrophobicContact CE1-CD1 3.92Å; F130-P403 VanDerWaalsContact O-CA 3.3Å; F130-P403 WeakPolarHBondContact O-CA 3.31Å; F130-L426 HydrophobicContact CE1-CB 4.26Å; F130-L426 HydrophobicContact CE1-CD2 4.24Å; F130-L426 HydrophobicContact CZ-CB 3.93Å; F130-L426 HydrophobicContact CZ-CD2 4.31Å |
| 131 | Q | 94.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 36.7 Ų | 36.7 | 16% | 0.164 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.6 | 178.9 | -170.2 | 174.7 | 26 | 0 | 0 | 110.2 | S133 P138 A139 K141 E399 I401 | Q131-S133 PolarHBondContact O-N 3.41Å; Q131-P138 CarbonylContact O-C 3.54Å; Q131-P138 VanDerWaalsContact O-CA 3.29Å; Q131-P138 WeakPolarHBondContact O-CA 3.32Å; Q131-A139 PolarHBondContact N-O 3.16Å; Q131-A139 PolarHBondContact O-N 3.29Å; Q131-K141 HydrophobicContact CB-CB 4.48Å; Q131-K141 HydrophobicContact CB-CG 3.73Å; Q131-E399 PolarHBondContact NE2-OE1 2.81Å; Q131-I401 HydrophobicContact CB-CD1 4.36Å; Q131-I401 HydrophobicContact CB-CG2 3.82Å; Q131-I401 HydrophobicContact CG-CD1 4.41Å; Q131-I401 HydrophobicContact CG-CG2 4.39Å |
| 132 | R | 89.8 | Confident | 93.2 | Very high | 130 Ų | 130 | 36.8 Ų | 36.8 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 115.7 | 168.6 | -61.8 | -178.7 | 106.4 | 176.2 | 7.4 | 109.3 | E404 | R132-E404 VanDerWaalsContact CZ-CD 3.48Å; R132-E404 IonicContact CZ-OE1 3.68Å; R132-E404 IonicContact CZ-OE2 3.41Å; R132-E404 IonicContact NE-OE2 3.57Å; R132-E404 IonicContact NH2-OE1 2.83Å; R132-E404 PolarHBondContact NH2-OE1 2.83Å; R132-E404 IonicContact NH2-OE2 2.77Å; R132-E404 PolarHBondContact NH2-OE2 2.77Å |
| 133 | S | 78.8 | Confident | 93.1 | Very high | 40 Ų | 40 | 37.9 Ų | 37.9 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | trans | -73.9 | 167 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 111 | Q131 D135 G136 S137 | Q131-S133 PolarHBondContact O-N 3.41Å; S133-D135 VanDerWaalsContact CB-OD1 3.24Å; S133-D135 WeakPolarHBondContact CB-OD1 3.36Å; S133-D135 PolarHBondContact O-N 2.78Å; S133-G136 WeakPolarHBondContact O-CA 3.28Å; S133-G136 PolarHBondContact O-N 3.27Å; S133-S137 WeakPolarHBondContact CB-O 3.5Å; S133-S137 PolarHBondContact N-O 3.02Å; S133-S137 PolarHBondContact OG-O 3.45Å | ||
| 134 | T | 76.1 | Confident | 93.1 | Very high | 161 Ų | 161 | 38.7 Ų | 38.7 | 99% | 0.988 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.1 | 179.2 | 47.5 | 0 | 0 | 0 | 0 | 113.6 | G136 | T134-G136 VanDerWaalsContact C-N 3.26Š|
| 135 | D | 80.7 | Confident | 93.1 | Very high | 124 Ų | 124 | 39.1 Ų | 39.1 | 66% | 0.663 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 3 | 174.1 | 66.9 | -2.1 | 0 | 0 | 0 | 113.4 | S133 S137 | S133-D135 VanDerWaalsContact CB-OD1 3.24Å; S133-D135 WeakPolarHBondContact CB-OD1 3.36Å; S133-D135 PolarHBondContact O-N 2.78Å; D135-S137 VanDerWaalsContact C-N 3.28Å; D135-S137 PolarHBondContact O-N 3.48Å; D135-S137 VanDerWaalsContact OD1-CB 3.32Å; D135-S137 WeakPolarHBondContact OD1-CB 3.41Å; D135-S137 PolarHBondContact OD1-N 2.97Å; D135-S137 PolarHBondContact OD1-OG 3.39Å; D135-S137 PolarHBondContact OD2-OG 2.72Å |
| 136 | G | 78.9 | Confident | 93.1 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 54% | 0.536 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 82.5 | -5.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | S133 T134 | S133-G136 WeakPolarHBondContact O-CA 3.28Å; S133-G136 PolarHBondContact O-N 3.27Å; T134-G136 VanDerWaalsContact C-N 3.26Å |
| 137 | S | 86.4 | Confident | 93.1 | Very high | 51 Ų | 51 | 39.4 Ų | 39.4 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | trans | -75.1 | 136.9 | 177.6 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | S133 D135 | S133-S137 WeakPolarHBondContact CB-O 3.5Å; S133-S137 PolarHBondContact N-O 3.02Å; S133-S137 PolarHBondContact OG-O 3.45Å; D135-S137 VanDerWaalsContact C-N 3.28Å; D135-S137 PolarHBondContact O-N 3.48Å; D135-S137 VanDerWaalsContact OD1-CB 3.32Å; D135-S137 WeakPolarHBondContact OD1-CB 3.41Å; D135-S137 PolarHBondContact OD1-N 2.97Å; D135-S137 PolarHBondContact OD1-OG 3.39Å; D135-S137 PolarHBondContact OD2-OG 2.72Å | ||
| 138 | P | 92.3 | Very high | 93.1 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 39% | 0.39 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 135.3 | 175.8 | 32.2 | -34.6 | 0 | 0 | 0 | 109.9 | P58 L61 F130 Q131 | P58-P138 HydrophobicContact CG-CG 4.05Å; L61-P138 HydrophobicContact CD1-CB 3.73Å; L61-P138 HydrophobicContact CD1-CG 3.92Å; F130-P138 HydrophobicContact CB-CB 4.28Å; Q131-P138 CarbonylContact O-C 3.54Å; Q131-P138 VanDerWaalsContact O-CA 3.29Å; Q131-P138 WeakPolarHBondContact O-CA 3.32Å |
| 139 | A | 96.5 | Very high | 93.1 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F130 Q131 K141 | F130-A139 CarbonylContact C-O 3.52Å; F130-A139 WeakPolarHBondContact CA-O 3.5Å; Q131-A139 PolarHBondContact N-O 3.16Å; Q131-A139 PolarHBondContact O-N 3.29Å; A139-K141 PolarHBondContact O-N 3.38Å |
| 140 | L | 98.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 116.8 | 176.1 | -172.5 | 77.7 | 0 | 0 | 0 | 110 | L61 Q64 A65 Y128 F130 T334 | L61-L140 HydrophobicContact CB-CD1 4.44Å; L61-L140 HydrophobicContact CD2-CB 4.18Å; Q64-L140 HydrophobicContact CB-CD2 4.21Å; Q64-L140 HydrophobicContact CG-CD2 3.97Å; A65-L140 HydrophobicContact CB-CD1 4.11Å; A65-L140 HydrophobicContact CB-CD2 3.62Å; Y128-L140 VanDerWaalsContact CB-CD1 3.43Å; Y128-L140 HydrophobicContact CD1-CD1 4.06Å; Y128-L140 HydrophobicContact CD1-CD2 3.83Å; Y128-L140 HydrophobicContact CD1-CG 3.64Å; Y128-L140 HydrophobicContact CD2-CD1 4.37Å; Y128-L140 HydrophobicContact CE1-CD2 4.05Å; Y128-L140 HydrophobicContact CE1-CG 4.34Å; Y128-L140 HydrophobicContact CG-CD1 3.71Å; Y128-L140 HydrophobicContact CG-CD2 4.13Å; Y128-L140 HydrophobicContact CG-CG 3.85Å; F130-L140 HydrophobicContact CD1-CD1 4.11Å; F130-L140 HydrophobicContact CE1-CD1 3.92Å; L140-T334 HydrophobicContact CD2-CG2 4.18Å; L140-T334 WeakPolarHBondContact O-CA 3.5Å |
| 141 | K | 98.5 | Very high | 93.1 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.6 | 178.3 | -65.7 | -60.1 | -177.6 | -175.7 | 0 | 112 | Y128 M129 Q131 A139 I143 A333 T334 F335 I401 | Y128-K141 CarbonylContact C-O 3.55Å; Y128-K141 WeakPolarHBondContact CA-O 3.25Å; M129-K141 PolarHBondContact N-O 3.5Å; M129-K141 PolarHBondContact O-N 2.86Å; Q131-K141 HydrophobicContact CB-CB 4.48Å; Q131-K141 HydrophobicContact CB-CG 3.73Å; A139-K141 PolarHBondContact O-N 3.38Å; K141-I143 PolarHBondContact O-N 3.06Å; K141-A333 PolarHBondContact NZ-O 3.43Å; K141-T334 CarbonylContact C-O 3.4Å; K141-T334 VanDerWaalsContact CA-O 3.3Å; K141-T334 WeakPolarHBondContact CA-O 3.45Å; K141-F335 PolarHBondContact NZ-O 3.49Å; K141-I401 HydrophobicContact CB-CD1 3.64Å; K141-I401 HydrophobicContact CB-CG1 3.99Å; K141-I401 HydrophobicContact CG-CD1 3.98Å |
| 142 | Q | 98.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.4 | -179.4 | -172.5 | -178.4 | 49.9 | 0 | 0 | 110 | F72 S126 D127 Y128 T334 M398 | F72-Q142 VanDerWaalsContact CZ-CD 3.47Å; S126-Q142 PolarHBondContact OG-NE2 2.8Å; D127-Q142 CarbonylContact O-C 3.59Å; D127-Q142 WeakPolarHBondContact O-CA 3.39Å; Y128-Q142 HydrophobicContact CD1-CB 3.88Å; Y128-Q142 HydrophobicContact CD1-CG 4.39Å; Y128-Q142 HydrophobicContact CE1-CB 3.84Å; Y128-Q142 HydrophobicContact CE1-CG 4.16Å; Q142-T334 PolarHBondContact N-O 2.85Å; Q142-M398 WeakPolarHBondContact O-CE 3.4Å |
| 143 | I | 98.3 | Very high | 93.7 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -49 | 171.9 | -62.8 | -54.9 | 0 | 0 | 0 | 110.2 | D127 M129 K141 Q308 K364 I401 E425 | D127-I143 PolarHBondContact O-N 2.94Å; M129-I143 HydrophobicContact CB-CD1 3.93Å; M129-I143 HydrophobicContact CB-CG1 4.15Å; M129-I143 HydrophobicContact CG-CD1 3.83Å; M129-I143 HydrophobicContact CG-CG1 3.81Å; M129-I143 HydrophobicContact SD-CD1 3.94Å; M129-I143 HydrophobicContact SD-CG1 4.36Å; K141-I143 PolarHBondContact O-N 3.06Å; I143-Q308 PolarHBondContact O-NE2 2.91Å; I143-Q308 VanDerWaalsContact O-NE2 3.08Å; I143-K364 PolarHBondContact O-NZ 3.28Å; I143-I401 HydrophobicContact CD1-CB 4.19Å; I143-I401 HydrophobicContact CD1-CG1 3.81Å; I143-E425 HydrophobicContact CG1-CG 4.22Å |
| 144 | E | 98.5 | Very high | 94.7 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 170.7 | -179.2 | 60.3 | -178.5 | -170.2 | 0 | 0 | 110.5 | D127 N146 K305 | D127-E144 HydrophobicContact CB-CG 4.34Å; D127-E144 PolarHBondContact N-O 2.72Å; E144-N146 PolarHBondContact OE1-ND2 3.44Å; E144-K305 HydrophobicContact CB-CD 4.44Å; E144-K305 WeakPolarHBondContact OE2-CE 3.46Å; E144-K305 IonicContact OE2-NZ 3.71Å; E144-K305 PolarHBondContact OE2-NZ 2.89Å |
| 145 | I | 98.7 | Very high | 95.7 | Very high | 11 Ų | 11 | 23.1 Ų | 23.1 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.9 | 164.1 | -172.6 | 160.1 | 0 | 0 | 0 | 109.3 | F72 V76 T147 | F72-I145 HydrophobicContact CB-CD1 3.9Å; F72-I145 HydrophobicContact CD1-CD1 3.84Å; F72-I145 HydrophobicContact CG-CD1 4.09Å; V76-I145 HydrophobicContact CG2-CD1 3.62Å; V76-I145 HydrophobicContact CG2-CG1 4.47Å; I145-T147 HydrophobicContact CG1-CG2 4.37Å; I145-T147 HydrophobicContact CG2-CG2 4.47Å |
| 146 | N | 98.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 17.3 Ų | 17.3 | 8% | 0.075 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 106.5 | 179.9 | -77.4 | -113.4 | 0 | 0 | 0 | 108.8 | N124 R125 D127 E144 | N124-N146 CarbonylContact C-O 3.21Å; N124-N146 WeakPolarHBondContact CA-O 3.26Å; N124-N146 WeakPolarHBondContact CB-O 3.3Å; R125-N146 HydrophobicContact CB-CB 4.36Å; R125-N146 PolarHBondContact N-O 3.3Å; R125-N146 VanDerWaalsContact NH2-CG 3.27Å; R125-N146 PolarHBondContact NH2-ND2 3.23Å; R125-N146 VanDerWaalsContact NH2-ND2 3.19Å; R125-N146 PolarHBondContact NH2-OD1 2.85Å; R125-N146 PolarHBondContact O-N 2.88Å; D127-N146 PolarHBondContact OD2-ND2 3.36Å; E144-N146 PolarHBondContact OE1-ND2 3.44Å |
| 147 | T | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | trans | -99.9 | -11.9 | -178.2 | 64.4 | 0 | 0 | 0 | 0 | 114.4 | V76 I145 P295 T299 G303 | V76-T147 HydrophobicContact CG1-CG2 3.91Å; V76-T147 HydrophobicContact CG2-CG2 4.2Å; I145-T147 HydrophobicContact CG1-CG2 4.37Å; I145-T147 HydrophobicContact CG2-CG2 4.47Å; T147-P295 WeakPolarHBondContact O-CB 3.36Å; T147-P295 VanDerWaalsContact O-CG 3.23Å; T147-P295 WeakPolarHBondContact O-CG 3.41Å; T147-T299 VanDerWaalsContact CB-O 3.31Å; T147-T299 WeakPolarHBondContact CB-O 3.3Å; T147-T299 PolarHBondContact OG1-O 3.28Å; T147-G303 WeakPolarHBondContact OG1-CA 3.4Å; T147-G303 PolarHBondContact OG1-N 2.93Å | ||
| 148 | I | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.036 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -122.2 | 141 | 174.7 | -177.4 | 163.6 | 0 | 0 | 0 | 110.8 | A150 F266 P295 Q300 | I148-A150 PolarHBondContact O-N 2.98Å; I148-A150 VanDerWaalsContact O-N 3.11Å; I148-F266 HydrophobicContact CD1-CB 4.25Å; I148-F266 HydrophobicContact CG1-CB 4.31Å; I148-P295 HydrophobicContact CB-CG 3.73Å; I148-P295 HydrophobicContact CD1-CG 4.38Å; I148-P295 HydrophobicContact CG1-CG 4.04Å; I148-Q300 HydrophobicContact CB-CG 4.25Å; I148-Q300 VanDerWaalsContact CD1-CD 3.43Å; I148-Q300 HydrophobicContact CD1-CG 4.18Å; I148-Q300 HydrophobicContact CG2-CG 4.11Å |
| 149 | S | 98.3 | Very high | 98.4 | Very high | 13 Ų | 13 | 13.5 Ų | 13.5 | 9% | 0.091 | 8% | 0.075 | C | C | . | . | S | Bend | trans | 48.7 | 41 | 175.5 | -163.6 | 0 | 0 | 0 | 0 | 113.9 | S151 F266 R267 | S149-S151 VanDerWaalsContact C-N 3.33Å; S149-S151 PolarHBondContact O-N 3.07Å; S149-S151 PolarHBondContact O-OG 3.04Å; S149-F266 WeakPolarHBondContact CA-O 3.21Å; S149-R267 VanDerWaalsContact OG-C 3.32Å; S149-R267 VanDerWaalsContact OG-CA 3.28Å; S149-R267 WeakPolarHBondContact OG-CA 3.39Å; S149-R267 PolarHBondContact OG-O 3.18Å |
| 150 | A | 98.2 | Very high | 98.5 | Very high | 3 Ų | 3 | 12.6 Ų | 12.6 | 3% | 0.025 | 7% | 0.067 | C | C | . | . | trans | -61.5 | 91.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R125 I148 | R125-A150 HydrophobicContact CB-CB 4.16Å; I148-A150 PolarHBondContact O-N 2.98Å; I148-A150 VanDerWaalsContact O-N 3.11Å | ||
| 151 | S | 97.6 | Very high | 98.6 | Very high | 20 Ų | 20 | 13.4 Ų | 13.4 | 14% | 0.14 | 7% | 0.073 | C | C | . | . | trans | -86.9 | 173.3 | -167.6 | -67 | 0 | 0 | 0 | 0 | 113.5 | R125 S149 G153 R267 F429 | R125-S151 PolarHBondContact NH1-O 3.42Å; S149-S151 VanDerWaalsContact C-N 3.33Å; S149-S151 PolarHBondContact O-N 3.07Å; S149-S151 PolarHBondContact O-OG 3.04Å; S151-G153 VanDerWaalsContact C-N 3.29Å; S151-G153 PolarHBondContact O-N 3.34Å; S151-R267 PolarHBondContact OG-NH2 3.35Å; S151-F429 WeakPolarHBondContact O-CZ 3.48Å | ||
| 152 | F | 98.6 | Very high | 98.6 | Very high | 13 Ų | 13 | 11.6 Ų | 11.6 | 6% | 0.057 | 7% | 0.066 | C | C | . | . | trans | 74.8 | 3.1 | 172.1 | -59.2 | -71.5 | 0 | 0 | 0 | 116.1 | G154 L155 A156 N216 D219 L448 V461 A462 L468 | F152-G154 PolarHBondContact O-N 3.07Å; F152-L155 HydrophobicContact CD1-CD1 4.19Å; F152-L155 HydrophobicContact CE1-CD1 4.44Å; F152-L155 PolarHBondContact O-N 3.2Å; F152-A156 WeakPolarHBondContact O-CB 3.31Å; F152-A156 PolarHBondContact O-N 2.83Å; F152-N216 VanDerWaalsContact CE1-ND2 3.34Å; F152-N216 WeakPolarHBondContact CE1-ND2 3.37Å; F152-D219 WeakPolarHBondContact CA-OD1 3.34Å; F152-D219 VanDerWaalsContact N-CG 3.32Å; F152-D219 PolarHBondContact N-OD1 3.01Å; F152-D219 PolarHBondContact N-OD2 3.05Å; F152-L448 HydrophobicContact CB-CD1 4.12Å; F152-L448 HydrophobicContact CB-CD2 3.86Å; F152-V461 HydrophobicContact CD2-CB 4.43Å; F152-V461 HydrophobicContact CE1-CB 4.1Å; F152-V461 HydrophobicContact CE1-CG1 3.78Å; F152-V461 HydrophobicContact CE2-CB 3.76Å; F152-V461 HydrophobicContact CE2-CG1 4.35Å; F152-V461 HydrophobicContact CZ-CB 3.57Å; F152-V461 HydrophobicContact CZ-CG1 3.66Å; F152-A462 HydrophobicContact CE2-CB 4.37Å; F152-A462 HydrophobicContact CZ-CB 4.22Å; F152-L468 HydrophobicContact CB-CD2 4.18Å; F152-L468 HydrophobicContact CD1-CD2 3.97Å; F152-L468 HydrophobicContact CG-CD2 4.17Å | ||
| 153 | G | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S151 P184 S185 D219 F429 | S151-G153 VanDerWaalsContact C-N 3.29Å; S151-G153 PolarHBondContact O-N 3.34Å; G153-P184 WeakPolarHBondContact O-CD 3.28Å; G153-S185 PolarHBondContact O-N 2.87Å; G153-D219 PolarHBondContact N-OD1 3.02Å; G153-F429 VanDerWaalsContact CA-CZ 3.47Å |
| 154 | G | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -52.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F152 S157 D219 A222 | F152-G154 PolarHBondContact O-N 3.07Å; G154-S157 PolarHBondContact O-N 2.89Å; G154-S157 PolarHBondContact O-OG 2.76Å; G154-D219 VanDerWaalsContact CA-OD1 3.25Å; G154-D219 WeakPolarHBondContact CA-OD1 3.49Å; G154-D219 PolarHBondContact N-OD1 2.94Å; G154-A222 VanDerWaalsContact CA-CB 3.49Å |
| 155 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -69.9 | -33.8 | -179.6 | -57.5 | -172.5 | 0 | 0 | 0 | 112.6 | L33 A48 F152 S157 R158 T159 F218 D219 L468 | L33-L155 HydrophobicContact CD2-CD1 4.39Å; A48-L155 HydrophobicContact CB-CD1 3.8Å; F152-L155 HydrophobicContact CD1-CD1 4.19Å; F152-L155 HydrophobicContact CE1-CD1 4.44Å; F152-L155 PolarHBondContact O-N 3.2Å; L155-S157 PolarHBondContact O-N 3.18Å; L155-S157 VanDerWaalsContact O-N 3.16Å; L155-R158 WeakPolarHBondContact O-CB 3.37Å; L155-R158 PolarHBondContact O-N 3.32Å; L155-T159 PolarHBondContact O-N 3.37Å; L155-F218 HydrophobicContact CD2-CB 4.4Å; L155-D219 HydrophobicContact CD1-CB 4.49Å; L155-D219 HydrophobicContact CG-CB 3.98Å; L155-D219 PolarHBondContact N-OD1 3.48Å; L155-L468 HydrophobicContact CB-CD1 3.81Å; L155-L468 HydrophobicContact CD1-CD1 4.17Å |
| 156 | A | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 2% | 0.017 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -64 | -16.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F152 R158 N182 P184 L448 | F152-A156 WeakPolarHBondContact O-CB 3.31Å; F152-A156 PolarHBondContact O-N 2.83Å; A156-R158 VanDerWaalsContact C-N 3.3Å; A156-N182 PolarHBondContact O-ND2 3.24Å; A156-P184 HydrophobicContact CB-CG 4.33Å; A156-L448 HydrophobicContact CB-CD1 4Å |
| 157 | S | 98.6 | Very high | 98.6 | Very high | 32 Ų | 32 | 13.7 Ų | 13.7 | 22% | 0.224 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -77.1 | -17.5 | 171.7 | 73 | 0 | 0 | 0 | 0 | 113.6 | G154 L155 N182 S185 | G154-S157 PolarHBondContact O-N 2.89Å; G154-S157 PolarHBondContact O-OG 2.76Å; L155-S157 PolarHBondContact O-N 3.18Å; L155-S157 VanDerWaalsContact O-N 3.16Å; S157-N182 VanDerWaalsContact CA-O 3.27Å; S157-N182 WeakPolarHBondContact CA-O 3.47Å; S157-S185 PolarHBondContact OG-OG 2.97Å |
| 158 | R | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 16.4 Ų | 16.4 | 19% | 0.189 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -34.2 | -170.4 | -59.6 | 170.8 | -174.7 | -172.5 | 0.7 | 112.5 | E29 G30 V31 L155 A156 A161 | E29-R158 VanDerWaalsContact O-CD 3.3Å; E29-R158 WeakPolarHBondContact O-CD 3.32Å; G30-R158 WeakPolarHBondContact O-CD 3.26Å; G30-R158 PolarHBondContact O-NH1 2.89Å; V31-R158 HydrophobicContact CG2-CB 3.77Å; L155-R158 WeakPolarHBondContact O-CB 3.37Å; L155-R158 PolarHBondContact O-N 3.32Å; A156-R158 VanDerWaalsContact C-N 3.3Å; R158-A161 PolarHBondContact O-N 2.91Å |
| 159 | T | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.9 | -26.9 | -178.1 | 58 | 0 | 0 | 0 | 0 | 115.9 | V31 L155 A161 V162 H163 L468 N470 | V31-T159 HydrophobicContact CG1-CG2 3.93Å; V31-T159 HydrophobicContact CG2-CG2 3.96Å; L155-T159 PolarHBondContact O-N 3.37Å; T159-A161 PolarHBondContact O-N 3.26Å; T159-V162 WeakPolarHBondContact O-CB 3.47Å; T159-V162 PolarHBondContact O-N 2.92Å; T159-H163 PolarHBondContact O-N 3.34Å; T159-L468 HydrophobicContact CG2-CB 4.17Å; T159-L468 HydrophobicContact CG2-CD1 4.04Å; T159-N470 WeakPolarHBondContact CB-ND2 3.34Å; T159-N470 PolarHBondContact O-ND2 3.45Å; T159-N470 PolarHBondContact OG1-ND2 3.43Å |
| 160 | P | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.8 | -35.7 | 176.4 | -28.7 | 35.8 | 0 | 0 | 0 | 113.7 | V162 R164 I179 N182 N470 | P160-V162 VanDerWaalsContact C-N 3.3Å; P160-V162 PolarHBondContact O-N 2.99Å; P160-R164 VanDerWaalsContact O-CG 3.31Å; P160-R164 WeakPolarHBondContact O-CG 3.45Å; P160-R164 PolarHBondContact O-N 3.24Å; P160-R164 VanDerWaalsContact O-N 3.11Å; P160-I179 HydrophobicContact CB-CG2 3.98Å; P160-N182 HydrophobicContact CG-CB 4.15Å; P160-N470 WeakPolarHBondContact CG-OD1 3.32Å |
| 161 | A | 98.8 | Very high | 98.4 | Very high | 18 Ų | 18 | 24.8 Ų | 24.8 | 15% | 0.149 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -34 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E29 R158 T159 H165 | E29-A161 HydrophobicContact CG-CB 3.88Å; E29-A161 WeakPolarHBondContact OE1-CB 3.42Å; R158-A161 PolarHBondContact O-N 2.91Å; T159-A161 PolarHBondContact O-N 3.26Å; A161-H165 PolarHBondContact O-N 3.3Å |
| 162 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.8 | -50.4 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | A22 R25 A26 E29 V31 F50 T159 P160 R164 H165 V166 | A22-V162 HydrophobicContact CB-CG1 4.47Å; R25-V162 HydrophobicContact CG-CG2 4.37Å; A26-V162 HydrophobicContact CB-CG1 4.14Å; A26-V162 HydrophobicContact CB-CG2 3.93Å; E29-V162 HydrophobicContact CG-CG2 4.45Å; V31-V162 HydrophobicContact CG2-CG2 4.18Å; F50-V162 HydrophobicContact CD2-CG1 4.21Å; F50-V162 HydrophobicContact CE2-CG1 3.55Å; F50-V162 HydrophobicContact CZ-CG1 4.11Å; T159-V162 WeakPolarHBondContact O-CB 3.47Å; T159-V162 PolarHBondContact O-N 2.92Å; P160-V162 VanDerWaalsContact C-N 3.3Å; P160-V162 PolarHBondContact O-N 2.99Å; V162-R164 VanDerWaalsContact C-N 3.31Å; V162-R164 PolarHBondContact O-N 3.35Å; V162-H165 VanDerWaalsContact O-CB 3.25Å; V162-H165 WeakPolarHBondContact O-CB 3.38Å; V162-H165 PolarHBondContact O-N 3.28Å; V162-H165 VanDerWaalsContact O-N 3.1Å; V162-V166 PolarHBondContact O-N 3.48Å |
| 163 | H | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -33.9 | 178.4 | -72.1 | 157.9 | 0 | 0 | 0 | 112.5 | T51 L52 P54 T159 H165 L167 I179 D469 N470 | T51-H163 PolarHBondContact O-NE2 3.44Å; T51-H163 PolarHBondContact OG1-CE1 2.98Å; T51-H163 PolarHBondContact OG1-NE2 2.92Å; L52-H163 PolarHBondContact O-CD2 3.32Å; P54-H163 HydrophobicContact CB-CB 4.38Å; P54-H163 HydrophobicContact CG-CB 4.3Å; T159-H163 PolarHBondContact O-N 3.34Å; H163-H165 VanDerWaalsContact C-N 3.31Å; H163-H165 PolarHBondContact O-N 3.1Å; H163-L167 WeakPolarHBondContact O-CG 3.47Å; H163-L167 PolarHBondContact O-N 3.46Å; H163-L167 VanDerWaalsContact O-N 3.15Å; H163-I179 HydrophobicContact CB-CD1 3.45Å; H163-I179 VanDerWaalsContact CB-CD1 3.45Å; H163-I179 HydrophobicContact CB-CG1 4.46Å; H163-D469 IonicContact CE1-OD1 3.97Å; H163-D469 PolarHBondContact CE1-OD1 3.46Å; H163-N470 WeakPolarHBondContact ND1-CB 3.22Å; H163-N470 PolarHBondContact ND1-ND2 3.03Å |
| 164 | R | 98.8 | Very high | 98.3 | Very high | 76 Ų | 76 | 38.8 Ų | 38.8 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 171.9 | -73.4 | -173.3 | -164.7 | 103.6 | 5.7 | 111.8 | P160 V162 S168 A176 I179 L180 | P160-R164 VanDerWaalsContact O-CG 3.31Å; P160-R164 WeakPolarHBondContact O-CG 3.45Å; P160-R164 PolarHBondContact O-N 3.24Å; P160-R164 VanDerWaalsContact O-N 3.11Å; V162-R164 VanDerWaalsContact C-N 3.31Å; V162-R164 PolarHBondContact O-N 3.35Å; R164-S168 VanDerWaalsContact O-CB 3.28Å; R164-S168 WeakPolarHBondContact O-CB 3.5Å; R164-S168 PolarHBondContact O-N 2.9Å; R164-S168 PolarHBondContact O-OG 3.15Å; R164-A176 HydrophobicContact CB-CB 4.48Å; R164-A176 WeakPolarHBondContact CG-O 3.36Å; R164-I179 HydrophobicContact CB-CD1 4.36Å; R164-I179 HydrophobicContact CG-CB 4.04Å; R164-I179 HydrophobicContact CG-CD1 3.72Å; R164-I179 HydrophobicContact CG-CG1 4.47Å; R164-I179 HydrophobicContact CG-CG2 4.34Å; R164-I179 VanDerWaalsContact N-CD1 3.32Å; R164-I179 PolarHBondContact NH2-O 3.29Å; R164-L180 PolarHBondContact NH2-O 3.23Å |
| 165 | H | 98.8 | Very high | 98.2 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 19% | 0.19 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -54.4 | 176.3 | -175.6 | 84 | 0 | 0 | 0 | 111.5 | Q21 R25 A161 V162 H163 L167 S168 V169 | Q21-H165 PolarHBondContact OE1-NE2 3.03Å; R25-H165 HydrophobicContact CB-CB 4.29Å; R25-H165 HydrophobicContact CG-CB 3.72Å; R25-H165 PolarHBondContact NH1-ND1 2.81Å; A161-H165 PolarHBondContact O-N 3.3Å; V162-H165 VanDerWaalsContact O-CB 3.25Å; V162-H165 WeakPolarHBondContact O-CB 3.38Å; V162-H165 PolarHBondContact O-N 3.28Å; V162-H165 VanDerWaalsContact O-N 3.1Å; H163-H165 VanDerWaalsContact C-N 3.31Å; H163-H165 PolarHBondContact O-N 3.1Å; H165-L167 VanDerWaalsContact C-N 3.33Å; H165-L167 PolarHBondContact O-N 3.28Å; H165-S168 WeakPolarHBondContact O-CA 3.46Å; H165-S168 WeakPolarHBondContact O-CB 3.35Å; H165-S168 PolarHBondContact O-N 3.46Å; H165-V169 WeakPolarHBondContact O-CG2 3.48Å; H165-V169 PolarHBondContact O-N 3.02Å |
| 166 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.6 | -47.5 | -179.2 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | L18 A22 L52 F53 V162 S168 V169 L170 | L18-V166 HydrophobicContact CD2-CG1 4.34Å; A22-V166 HydrophobicContact CB-CG2 3.55Å; L52-V166 HydrophobicContact CD1-CG1 3.92Å; L52-V166 HydrophobicContact CD1-CG2 4.04Å; L52-V166 HydrophobicContact CG-CG1 4.24Å; F53-V166 HydrophobicContact CD1-CG1 4.07Å; F53-V166 HydrophobicContact CE1-CG1 3.65Å; F53-V166 HydrophobicContact CZ-CG1 4.24Å; V162-V166 PolarHBondContact O-N 3.48Å; V166-S168 VanDerWaalsContact C-N 3.33Å; V166-S168 PolarHBondContact O-N 2.92Å; V166-V169 PolarHBondContact O-N 3.31Å; V166-L170 PolarHBondContact O-N 3Å |
| 167 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 177.4 | -68.4 | 175.1 | 0 | 0 | 0 | 112.5 | W5 F53 P54 H163 H165 L170 S171 K172 E175 A176 I179 | W5-L167 HydrophobicContact CH2-CD2 4.12Å; W5-L167 HydrophobicContact CZ3-CD2 3.86Å; F53-L167 HydrophobicContact CD1-CD2 4Å; F53-L167 HydrophobicContact CE1-CD2 4.12Å; P54-L167 HydrophobicContact CG-CD1 4.37Å; H163-L167 WeakPolarHBondContact O-CG 3.47Å; H163-L167 PolarHBondContact O-N 3.46Å; H163-L167 VanDerWaalsContact O-N 3.15Å; H165-L167 VanDerWaalsContact C-N 3.33Å; H165-L167 PolarHBondContact O-N 3.28Å; L167-L170 CarbonylContact O-C 3.51Å; L167-L170 PolarHBondContact O-N 2.97Å; L167-S171 PolarHBondContact O-N 2.97Å; L167-K172 HydrophobicContact CB-CB 4.22Å; L167-K172 HydrophobicContact CD2-CB 4.28Å; L167-K172 HydrophobicContact CD2-CD 4.18Å; L167-K172 WeakPolarHBondContact O-CA 3.41Å; L167-K172 VanDerWaalsContact O-CB 3.32Å; L167-K172 WeakPolarHBondContact O-CB 3.48Å; L167-K172 PolarHBondContact O-N 3.09Å; L167-E175 HydrophobicContact CD1-CB 3.91Å; L167-E175 HydrophobicContact CD2-CB 4.38Å; L167-A176 HydrophobicContact CB-CB 3.87Å; L167-A176 HydrophobicContact CD1-CB 4.49Å; L167-I179 HydrophobicContact CD1-CD1 3.7Å; L167-I179 HydrophobicContact CD1-CG1 4.36Å |
| 168 | S | 98.3 | Very high | 98.1 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 41% | 0.413 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.1 | -36.5 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | R164 H165 V166 L170 S171 | R164-S168 VanDerWaalsContact O-CB 3.28Å; R164-S168 WeakPolarHBondContact O-CB 3.5Å; R164-S168 PolarHBondContact O-N 2.9Å; R164-S168 PolarHBondContact O-OG 3.15Å; H165-S168 WeakPolarHBondContact O-CA 3.46Å; H165-S168 WeakPolarHBondContact O-CB 3.35Å; H165-S168 PolarHBondContact O-N 3.46Å; V166-S168 VanDerWaalsContact C-N 3.33Å; V166-S168 PolarHBondContact O-N 2.92Å; S168-L170 PolarHBondContact O-N 3.47Å; S168-S171 WeakPolarHBondContact O-CA 3.44Å; S168-S171 PolarHBondContact O-N 2.85Å |
| 169 | V | 97.9 | Very high | 98.1 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 38% | 0.376 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.5 | -38 | 172.7 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | L18 Q21 H165 V166 S171 | L18-V169 HydrophobicContact CD2-CB 4.29Å; L18-V169 HydrophobicContact CD2-CG1 3.85Å; Q21-V169 HydrophobicContact CB-CG2 4.46Å; Q21-V169 HydrophobicContact CG-CG1 4.46Å; Q21-V169 HydrophobicContact CG-CG2 4.29Å; H165-V169 WeakPolarHBondContact O-CG2 3.48Å; H165-V169 PolarHBondContact O-N 3.02Å; V166-V169 PolarHBondContact O-N 3.31Å; V169-S171 PolarHBondContact O-N 3.45Å |
| 170 | L | 96.8 | Very high | 98.1 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.199 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 7.8 | 174.5 | -67.8 | 175.1 | 0 | 0 | 0 | 114.4 | L8 L18 F53 V166 L167 S168 K172 | L8-L170 HydrophobicContact CD1-CD1 4Å; L18-L170 HydrophobicContact CD1-CD1 3.98Å; L18-L170 HydrophobicContact CD1-CD2 4.1Å; L18-L170 HydrophobicContact CD1-CG 4.24Å; L18-L170 HydrophobicContact CD2-CD1 4.35Å; L18-L170 HydrophobicContact CD2-CD2 4.07Å; L18-L170 HydrophobicContact CD2-CG 3.89Å; F53-L170 HydrophobicContact CE1-CD1 3.88Å; F53-L170 HydrophobicContact CZ-CD1 3.99Å; V166-L170 PolarHBondContact O-N 3Å; L167-L170 CarbonylContact O-C 3.51Å; L167-L170 PolarHBondContact O-N 2.97Å; S168-L170 PolarHBondContact O-N 3.47Å; L170-K172 HydrophobicContact CB-CB 4.48Å; L170-K172 HydrophobicContact CB-CD 4.16Å; L170-K172 HydrophobicContact CB-CG 4.06Å; L170-K172 HydrophobicContact CD1-CD 4.35Å; L170-K172 PolarHBondContact O-N 3.22Å; L170-K172 VanDerWaalsContact O-N 3.09Å |
| 171 | S | 97.7 | Very high | 98 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 69% | 0.692 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 20.4 | -172.1 | -58.3 | 0 | 0 | 0 | 0 | 114.3 | L167 S168 V169 T173 | L167-S171 PolarHBondContact O-N 2.97Å; S168-S171 WeakPolarHBondContact O-CA 3.44Å; S168-S171 PolarHBondContact O-N 2.85Å; V169-S171 PolarHBondContact O-N 3.45Å; S171-T173 PolarHBondContact O-N 2.94Å; S171-T173 VanDerWaalsContact O-N 3.11Å |
| 172 | K | 97.3 | Very high | 98 | Very high | 58 Ų | 58 | 53.4 Ų | 53.4 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | trans | -86.8 | 54.4 | 176.6 | -70.8 | -178 | 163.2 | -66.6 | 0 | 111.2 | L8 L167 L170 K174 E175 A176 | L8-K172 HydrophobicContact CD1-CD 4.28Å; L167-K172 HydrophobicContact CB-CB 4.22Å; L167-K172 HydrophobicContact CD2-CB 4.28Å; L167-K172 HydrophobicContact CD2-CD 4.18Å; L167-K172 WeakPolarHBondContact O-CA 3.41Å; L167-K172 VanDerWaalsContact O-CB 3.32Å; L167-K172 WeakPolarHBondContact O-CB 3.48Å; L167-K172 PolarHBondContact O-N 3.09Å; L170-K172 HydrophobicContact CB-CB 4.48Å; L170-K172 HydrophobicContact CB-CD 4.16Å; L170-K172 HydrophobicContact CB-CG 4.06Å; L170-K172 HydrophobicContact CD1-CD 4.35Å; L170-K172 PolarHBondContact O-N 3.22Å; L170-K172 VanDerWaalsContact O-N 3.09Å; K172-K174 VanDerWaalsContact C-N 3.26Å; K172-K174 PolarHBondContact O-N 3.49Å; K172-E175 WeakPolarHBondContact CA-OE2 3.27Å; K172-E175 HydrophobicContact CB-CB 4.25Å; K172-E175 HydrophobicContact CB-CG 4.44Å; K172-E175 WeakPolarHBondContact CB-OE2 3.47Å; K172-E175 IonicContact NZ-OE1 2.9Å; K172-E175 PolarHBondContact NZ-OE1 2.94Å; K172-E175 PolarHBondContact O-N 3.32Å; K172-A176 PolarHBondContact O-N 2.68Å | ||
| 173 | T | 96.6 | Very high | 97.9 | Very high | 96 Ų | 96 | 56.6 Ų | 56.6 | 59% | 0.589 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.8 | -28 | -174.2 | 56 | 0 | 0 | 0 | 0 | 113.2 | S171 G177 | S171-T173 PolarHBondContact O-N 2.94Å; S171-T173 VanDerWaalsContact O-N 3.11Å; T173-G177 PolarHBondContact O-N 3.11Å |
| 174 | K | 96.7 | Very high | 97.9 | Very high | 175 Ų | 175 | 56.5 Ų | 56.5 | 76% | 0.761 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.2 | -44.7 | 174.4 | -67.1 | -177.8 | 180 | 178.4 | 0 | 111.3 | K172 G177 | K172-K174 VanDerWaalsContact C-N 3.26Å; K172-K174 PolarHBondContact O-N 3.49Å; K174-G177 PolarHBondContact O-N 3.45Å |
| 175 | E | 97.6 | Very high | 97.9 | Very high | 38 Ų | 38 | 53 Ų | 53 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 175 | -60.7 | 93.9 | 135.2 | 0 | 0 | 110.7 | T3 L167 K172 G177 K178 Y472 | T3-E175 HydrophobicContact CG2-CG 4.33Å; L167-E175 HydrophobicContact CD1-CB 3.91Å; L167-E175 HydrophobicContact CD2-CB 4.38Å; K172-E175 WeakPolarHBondContact CA-OE2 3.27Å; K172-E175 HydrophobicContact CB-CB 4.25Å; K172-E175 HydrophobicContact CB-CG 4.44Å; K172-E175 WeakPolarHBondContact CB-OE2 3.47Å; K172-E175 IonicContact NZ-OE1 2.9Å; K172-E175 PolarHBondContact NZ-OE1 2.94Å; K172-E175 PolarHBondContact O-N 3.32Å; E175-G177 VanDerWaalsContact C-N 3.27Å; E175-G177 PolarHBondContact O-N 2.98Å; E175-K178 WeakPolarHBondContact O-CB 3.48Å; E175-K178 PolarHBondContact O-N 3.29Å; E175-Y472 WeakPolarHBondContact CA-OH 3.47Å; E175-Y472 HydrophobicContact CB-CE2 4.1Å; E175-Y472 WeakPolarHBondContact CB-OH 3.49Å; E175-Y472 WeakPolarHBondContact CG-OH 3.42Å; E175-Y472 WeakPolarHBondContact O-CE2 3.19Å |
| 176 | A | 98 | Very high | 97.9 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 5% | 0.05 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.7 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R164 L167 K172 K178 I179 | R164-A176 HydrophobicContact CB-CB 4.48Å; R164-A176 WeakPolarHBondContact CG-O 3.36Å; L167-A176 HydrophobicContact CB-CB 3.87Å; L167-A176 HydrophobicContact CD1-CB 4.49Å; K172-A176 PolarHBondContact O-N 2.68Å; A176-K178 PolarHBondContact O-N 2.9Å; A176-I179 PolarHBondContact O-N 3.31Å |
| 177 | G | 97.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 56.3 Ų | 56.3 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | T173 K174 E175 | T173-G177 PolarHBondContact O-N 3.11Å; K174-G177 PolarHBondContact O-N 3.45Å; E175-G177 VanDerWaalsContact C-N 3.27Å; E175-G177 PolarHBondContact O-N 2.98Å |
| 178 | K | 98 | Very high | 97.9 | Very high | 122 Ų | 122 | 56.4 Ų | 56.4 | 53% | 0.53 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -13.9 | 177.9 | -72.5 | 178.6 | 170.8 | -167.1 | 0 | 114.1 | E175 A176 L180 Y472 | E175-K178 WeakPolarHBondContact O-CB 3.48Å; E175-K178 PolarHBondContact O-N 3.29Å; A176-K178 PolarHBondContact O-N 2.9Å; K178-L180 PolarHBondContact O-N 3.22Å; K178-Y472 HydrophobicContact CB-CE2 3.92Å; K178-Y472 HydrophobicContact CD-CE1 4.46Å; K178-Y472 WeakPolarHBondContact CD-OH 3.3Å |
| 179 | I | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -63.8 | 123.5 | 175.7 | -67.3 | 164.9 | 0 | 0 | 0 | 108.7 | P54 P160 H163 R164 L167 A176 Y472 | P54-I179 HydrophobicContact CG-CD1 4.19Å; P54-I179 HydrophobicContact CG-CG1 4.11Å; P160-I179 HydrophobicContact CB-CG2 3.98Å; H163-I179 HydrophobicContact CB-CD1 3.45Å; H163-I179 VanDerWaalsContact CB-CD1 3.45Å; H163-I179 HydrophobicContact CB-CG1 4.46Å; R164-I179 HydrophobicContact CB-CD1 4.36Å; R164-I179 HydrophobicContact CG-CB 4.04Å; R164-I179 HydrophobicContact CG-CD1 3.72Å; R164-I179 HydrophobicContact CG-CG1 4.47Å; R164-I179 HydrophobicContact CG-CG2 4.34Å; R164-I179 VanDerWaalsContact N-CD1 3.32Å; R164-I179 PolarHBondContact NH2-O 3.29Å; L167-I179 HydrophobicContact CD1-CD1 3.7Å; L167-I179 HydrophobicContact CD1-CG1 4.36Å; A176-I179 PolarHBondContact O-N 3.31Å; I179-Y472 HydrophobicContact CG1-CD2 4.49Å |
| 180 | L | 98.4 | Very high | 98 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 30% | 0.298 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 137.4 | 179.6 | -58.6 | -177.6 | 0 | 0 | 0 | 110.8 | L62 R164 K178 P471 P473 | L62-L180 HydrophobicContact CD2-CD1 3.66Å; R164-L180 PolarHBondContact NH2-O 3.23Å; K178-L180 PolarHBondContact O-N 3.22Å; L180-P471 HydrophobicContact CD1-CG 4.34Å; L180-P473 HydrophobicContact CD1-CG 3.97Å; L180-P473 HydrophobicContact CD2-CG 4Å; L180-P473 HydrophobicContact CG-CG 3.9Å |
| 181 | S | 97.1 | Very high | 98.1 | Very high | 105 Ų | 105 | 52 Ų | 52 | 73% | 0.734 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 139.7 | 161.1 | 57.9 | 0 | 0 | 0 | 0 | 109 | ||
| 182 | N | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | trans | -138.9 | 135.6 | -178.3 | -173.1 | 34.6 | 0 | 0 | 0 | 108.7 | A156 S157 P160 P184 G446 H447 | A156-N182 PolarHBondContact O-ND2 3.24Å; S157-N182 VanDerWaalsContact CA-O 3.27Å; S157-N182 WeakPolarHBondContact CA-O 3.47Å; P160-N182 HydrophobicContact CG-CB 4.15Å; N182-P184 WeakPolarHBondContact OD1-CD 3.36Å; N182-G446 WeakPolarHBondContact OD1-CA 3.46Å; N182-H447 PolarHBondContact ND2-O 3.01Å; N182-H447 PolarHBondContact OD1-N 2.79Å | ||
| 183 | N | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 44.7 Ų | 44.7 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | trans | -147.1 | 69.8 | 173.1 | -168.8 | -10.8 | 0 | 0 | 0 | 112.1 | S185 K186 | N183-S185 PolarHBondContact O-N 2.79Å; N183-S185 PolarHBondContact OD1-OG 2.94Å; N183-S185 VanDerWaalsContact OD1-OG 3.08Å; N183-K186 HydrophobicContact CB-CB 4.47Å; N183-K186 PolarHBondContact O-N 2.97Å; N183-K186 WeakPolarHBondContact OD1-CB 3.5Å; N183-K186 PolarHBondContact OD1-N 2.8Å; N183-K186 VanDerWaalsContact OD1-N 3.13Å | ||
| 184 | P | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 179.6 | -14.9 | 27.4 | 0 | 0 | 0 | 112.3 | G153 A156 N182 K186 G187 L188 F429 V445 | G153-P184 WeakPolarHBondContact O-CD 3.28Å; A156-P184 HydrophobicContact CB-CG 4.33Å; N182-P184 WeakPolarHBondContact OD1-CD 3.36Å; P184-K186 PolarHBondContact O-N 3.5Å; P184-G187 PolarHBondContact O-N 2.83Å; P184-L188 HydrophobicContact CB-CD1 4.46Å; P184-L188 VanDerWaalsContact O-CG 3.29Å; P184-L188 WeakPolarHBondContact O-CG 3.09Å; P184-L188 PolarHBondContact O-N 3.18Å; P184-F429 HydrophobicContact CB-CB 4.44Å; P184-F429 HydrophobicContact CB-CD2 3.5Å; P184-F429 VanDerWaalsContact CB-CD2 3.5Å; P184-F429 HydrophobicContact CB-CE2 3.84Å; P184-F429 HydrophobicContact CB-CG 4.05Å; P184-F429 HydrophobicContact CG-CD2 3.81Å; P184-F429 HydrophobicContact CG-CE2 3.92Å; P184-V445 WeakPolarHBondContact CA-O 3.43Å |
| 185 | S | 98.4 | Very high | 98.5 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.5 | -39.9 | -179.5 | 36.2 | 0 | 0 | 0 | 0 | 113.8 | G153 S157 N183 L188 A189 I223 | G153-S185 PolarHBondContact O-N 2.87Å; S157-S185 PolarHBondContact OG-OG 2.97Å; N183-S185 PolarHBondContact O-N 2.79Å; N183-S185 PolarHBondContact OD1-OG 2.94Å; N183-S185 VanDerWaalsContact OD1-OG 3.08Å; S185-L188 PolarHBondContact O-N 3.03Å; S185-A189 VanDerWaalsContact O-CB 3.27Å; S185-A189 WeakPolarHBondContact O-CB 3.42Å; S185-A189 PolarHBondContact O-N 3.48Å; S185-I223 VanDerWaalsContact CA-CD1 3.45Å; S185-I223 WeakPolarHBondContact O-CD1 3.25Å |
| 186 | K | 98.8 | Very high | 98.5 | Very high | 100 Ų | 100 | 34.9 Ų | 34.9 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 176.4 | 179.7 | 173.7 | -179.4 | 176 | 0 | 112 | N183 P184 L190 | N183-K186 HydrophobicContact CB-CB 4.47Å; N183-K186 PolarHBondContact O-N 2.97Å; N183-K186 WeakPolarHBondContact OD1-CB 3.5Å; N183-K186 PolarHBondContact OD1-N 2.8Å; N183-K186 VanDerWaalsContact OD1-N 3.13Å; P184-K186 PolarHBondContact O-N 3.5Å; K186-L190 HydrophobicContact CG-CD1 4.5Å; K186-L190 VanDerWaalsContact O-CG 3.28Å; K186-L190 WeakPolarHBondContact O-CG 3.38Å; K186-L190 PolarHBondContact O-N 2.77Å |
| 187 | G | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.2 | -35.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | P184 L190 G191 | P184-G187 PolarHBondContact O-N 2.83Å; G187-L190 WeakPolarHBondContact O-CB 3.34Å; G187-L190 PolarHBondContact O-N 2.67Å; G187-G191 PolarHBondContact O-N 3.38Å; G187-G191 VanDerWaalsContact O-N 3.11Å |
| 188 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 171.8 | -66 | 171.5 | 0 | 0 | 0 | 110.9 | L123 P184 S185 L190 G191 I192 I223 F429 V431 V445 | L123-L188 HydrophobicContact CB-CD2 4.03Å; L123-L188 HydrophobicContact CD1-CB 4.21Å; L123-L188 HydrophobicContact CD1-CD2 4.25Å; L123-L188 HydrophobicContact CD2-CB 4.44Å; L123-L188 HydrophobicContact CD2-CD2 3.86Å; L123-L188 HydrophobicContact CG-CD2 4.27Å; P184-L188 HydrophobicContact CB-CD1 4.46Å; P184-L188 VanDerWaalsContact O-CG 3.29Å; P184-L188 WeakPolarHBondContact O-CG 3.09Å; P184-L188 PolarHBondContact O-N 3.18Å; S185-L188 PolarHBondContact O-N 3.03Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 2.96Å; L188-G191 PolarHBondContact O-N 3.11Å; L188-G191 VanDerWaalsContact O-N 3.15Å; L188-I192 PolarHBondContact O-N 3.47Å; L188-I223 HydrophobicContact CB-CD1 3.66Å; L188-I223 HydrophobicContact CD1-CD1 3.99Å; L188-I223 HydrophobicContact CG-CD1 4.48Å; L188-F429 HydrophobicContact CD1-CD1 4.24Å; L188-F429 HydrophobicContact CD1-CE1 4.43Å; L188-F429 HydrophobicContact CD2-CB 4.48Å; L188-F429 HydrophobicContact CD2-CD1 4.23Å; L188-V431 HydrophobicContact CD2-CG2 3.98Å; L188-V445 HydrophobicContact CD2-CG2 4.18Å; L188-V445 HydrophobicContact CG-CG2 4.17Å |
| 189 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S185 G191 I192 A193 I223 E226 L227 | S185-A189 VanDerWaalsContact O-CB 3.27Å; S185-A189 WeakPolarHBondContact O-CB 3.42Å; S185-A189 PolarHBondContact O-N 3.48Å; A189-G191 VanDerWaalsContact C-N 3.3Å; A189-G191 PolarHBondContact O-N 3.36Å; A189-I192 PolarHBondContact O-N 2.91Å; A189-A193 VanDerWaalsContact O-CB 3.31Å; A189-A193 WeakPolarHBondContact O-CB 3.37Å; A189-A193 PolarHBondContact O-N 3.25Å; A189-I223 HydrophobicContact CB-CG2 4.13Å; A189-E226 HydrophobicContact CB-CB 3.37Å; A189-E226 HydrophobicContact CB-CG 4.29Å; A189-L227 HydrophobicContact CB-CD2 4.34Å; A189-L227 HydrophobicContact CB-CG 4.21Å; A189-L227 WeakPolarHBondContact O-CD2 3.47Å |
| 190 | L | 98.9 | Very high | 98.7 | Very high | 66 Ų | 66 | 36.9 Ų | 36.9 | 35% | 0.346 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.8 | -32.8 | 174 | -76 | 171.8 | 0 | 0 | 0 | 112.9 | K186 G187 L188 K194 | K186-L190 HydrophobicContact CG-CD1 4.5Å; K186-L190 VanDerWaalsContact O-CG 3.28Å; K186-L190 WeakPolarHBondContact O-CG 3.38Å; K186-L190 PolarHBondContact O-N 2.77Å; G187-L190 WeakPolarHBondContact O-CB 3.34Å; G187-L190 PolarHBondContact O-N 2.67Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 2.96Å; L190-K194 WeakPolarHBondContact O-CB 3.5Å; L190-K194 PolarHBondContact O-N 3.37Å |
| 191 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -48.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G187 L188 A189 K194 A195 V433 | G187-G191 PolarHBondContact O-N 3.38Å; G187-G191 VanDerWaalsContact O-N 3.11Å; L188-G191 PolarHBondContact O-N 3.11Å; L188-G191 VanDerWaalsContact O-N 3.15Å; A189-G191 VanDerWaalsContact C-N 3.3Å; A189-G191 PolarHBondContact O-N 3.36Å; G191-K194 PolarHBondContact O-N 3.11Å; G191-A195 PolarHBondContact O-N 2.95Å; G191-V433 WeakPolarHBondContact O-CG2 3.23Å |
| 192 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 176 | -67.7 | 164.7 | 0 | 0 | 0 | 110.8 | L121 L123 L188 A189 K194 A195 W196 V206 I223 L227 V263 Y265 | L121-I192 HydrophobicContact CD1-CG1 4.13Å; L123-I192 HydrophobicContact CD1-CD1 3.79Å; L123-I192 HydrophobicContact CD1-CG1 3.87Å; L188-I192 PolarHBondContact O-N 3.47Å; A189-I192 PolarHBondContact O-N 2.91Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.01Å; I192-A195 PolarHBondContact O-N 3.06Å; I192-W196 WeakPolarHBondContact O-CB 3.28Å; I192-W196 PolarHBondContact O-N 3.46Å; I192-V206 HydrophobicContact CG2-CB 4.44Å; I192-V206 HydrophobicContact CG2-CG1 3.93Å; I192-V206 HydrophobicContact CG2-CG2 3.63Å; I192-I223 HydrophobicContact CD1-CG2 3.8Å; I192-L227 HydrophobicContact CB-CD1 4.39Å; I192-L227 HydrophobicContact CB-CD2 4.07Å; I192-L227 HydrophobicContact CD1-CD1 4.38Å; I192-L227 HydrophobicContact CG2-CD1 3.82Å; I192-L227 HydrophobicContact CG2-CD2 3.82Å; I192-L227 HydrophobicContact CG2-CG 4.49Å; I192-V263 HydrophobicContact CG2-CB 4.49Å; I192-V263 HydrophobicContact CG2-CG1 4.25Å; I192-Y265 HydrophobicContact CD1-CD1 3.87Å; I192-Y265 HydrophobicContact CD1-CD2 4.4Å; I192-Y265 HydrophobicContact CD1-CE1 4.2Å; I192-Y265 HydrophobicContact CD1-CG 3.99Å |
| 193 | A | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A189 A195 W196 E197 L227 I232 | A189-A193 VanDerWaalsContact O-CB 3.31Å; A189-A193 WeakPolarHBondContact O-CB 3.37Å; A189-A193 PolarHBondContact O-N 3.25Å; A193-A195 PolarHBondContact O-N 3.04Å; A193-W196 PolarHBondContact O-N 2.77Å; A193-E197 VanDerWaalsContact O-CG 3.32Å; A193-E197 WeakPolarHBondContact O-CG 3.44Å; A193-E197 PolarHBondContact O-N 3.18Å; A193-L227 HydrophobicContact CB-CD2 4.1Å; A193-I232 HydrophobicContact CB-CD1 3.61Å |
| 194 | K | 98.9 | Very high | 98.4 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 27% | 0.265 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.3 | -39 | 177.8 | -173.8 | 59 | 178.3 | 173.1 | 0 | 112.5 | L190 G191 I192 E197 L198 V433 M441 | L190-K194 WeakPolarHBondContact O-CB 3.5Å; L190-K194 PolarHBondContact O-N 3.37Å; G191-K194 PolarHBondContact O-N 3.11Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.01Å; K194-E197 WeakPolarHBondContact CD-OE2 3.33Å; K194-E197 IonicContact NZ-OE2 3.66Å; K194-E197 PolarHBondContact NZ-OE2 3.36Å; K194-E197 VanDerWaalsContact NZ-OE2 3.13Å; K194-E197 PolarHBondContact O-N 3.24Å; K194-L198 HydrophobicContact CD-CD1 4.45Å; K194-L198 HydrophobicContact CG-CD1 4.14Å; K194-L198 WeakPolarHBondContact O-CD1 3.18Å; K194-L198 VanDerWaalsContact O-CG 3.22Å; K194-L198 WeakPolarHBondContact O-CG 3.42Å; K194-L198 PolarHBondContact O-N 3.37Å; K194-L198 VanDerWaalsContact O-N 3.15Å; K194-V433 HydrophobicContact CB-CG2 4.2Å; K194-V433 HydrophobicContact CG-CB 4.37Å; K194-V433 HydrophobicContact CG-CG1 4.24Å; K194-V433 HydrophobicContact CG-CG2 4.36Å; K194-M441 HydrophobicContact CB-CE 3.71Å; K194-M441 HydrophobicContact CG-CE 3.93Å |
| 195 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | V119 L121 G191 I192 A193 L198 Y199 V263 A292 V433 | V119-A195 HydrophobicContact CG1-CB 3.82Å; L121-A195 HydrophobicContact CB-CB 4.31Å; L121-A195 HydrophobicContact CD1-CB 3.82Å; L121-A195 HydrophobicContact CD2-CB 3.92Å; L121-A195 HydrophobicContact CG-CB 4.24Å; G191-A195 PolarHBondContact O-N 2.95Å; I192-A195 PolarHBondContact O-N 3.06Å; A193-A195 PolarHBondContact O-N 3.04Å; A195-L198 PolarHBondContact O-N 2.81Å; A195-Y199 PolarHBondContact O-N 2.91Å; A195-V263 HydrophobicContact CB-CG2 4Å; A195-A292 HydrophobicContact CB-CB 4.28Å; A195-V433 HydrophobicContact CB-CG1 4.38Å |
| 196 | W | 98.9 | Very high | 98.4 | Very high | 43 Ų | 43 | 39 Ų | 39 | 16% | 0.163 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.4 | 177.5 | 95.6 | 0 | 0 | 0 | 112 | I192 A193 L198 Y199 G200 A204 I232 A262 V263 | I192-W196 WeakPolarHBondContact O-CB 3.28Å; I192-W196 PolarHBondContact O-N 3.46Å; A193-W196 PolarHBondContact O-N 2.77Å; W196-L198 VanDerWaalsContact C-N 3.32Å; W196-L198 PolarHBondContact O-N 3.37Å; W196-Y199 WeakPolarHBondContact O-CB 3.44Å; W196-Y199 PolarHBondContact O-N 3.45Å; W196-G200 PolarHBondContact O-N 3.1Å; W196-A204 PolarHBondContact NE1-O 3.13Å; W196-I232 HydrophobicContact CB-CD1 4.32Å; W196-I232 HydrophobicContact CD2-CD1 3.84Å; W196-I232 HydrophobicContact CD2-CG1 3.93Å; W196-I232 HydrophobicContact CD2-CG2 4.25Å; W196-I232 HydrophobicContact CE3-CD1 3.59Å; W196-I232 HydrophobicContact CE3-CG1 3.86Å; W196-I232 HydrophobicContact CG-CD1 4.15Å; W196-I232 HydrophobicContact CG-CG1 4.45Å; W196-I232 HydrophobicContact CG-CG2 4.02Å; W196-I232 HydrophobicContact CH2-CG1 4.46Å; W196-I232 HydrophobicContact CZ2-CG1 4.5Å; W196-I232 HydrophobicContact CZ3-CD1 4.22Å; W196-I232 HydrophobicContact CZ3-CG1 4.14Å; W196-A262 HydrophobicContact CG-CB 4.32Å; W196-V263 HydrophobicContact CB-CG2 4.05Å |
| 197 | E | 98.8 | Very high | 98.4 | Very high | 105 Ų | 105 | 34.2 Ų | 34.2 | 49% | 0.491 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 175.4 | -77.1 | 171.6 | -166.8 | 0 | 0 | 112 | A193 K194 G200 | A193-E197 VanDerWaalsContact O-CG 3.32Å; A193-E197 WeakPolarHBondContact O-CG 3.44Å; A193-E197 PolarHBondContact O-N 3.18Å; K194-E197 WeakPolarHBondContact CD-OE2 3.33Å; K194-E197 IonicContact NZ-OE2 3.66Å; K194-E197 PolarHBondContact NZ-OE2 3.36Å; K194-E197 VanDerWaalsContact NZ-OE2 3.13Å; K194-E197 PolarHBondContact O-N 3.24Å; E197-G200 PolarHBondContact O-N 3.13Å |
| 198 | L | 98.8 | Very high | 98.4 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 19% | 0.188 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.5 | -26.2 | -178.4 | -67.1 | 165.1 | 0 | 0 | 0 | 112.8 | V119 K194 A195 W196 G200 V433 Q435 V440 | V119-L198 HydrophobicContact CG1-CB 4.12Å; V119-L198 HydrophobicContact CG1-CD1 4.32Å; V119-L198 HydrophobicContact CG2-CB 3.64Å; K194-L198 HydrophobicContact CD-CD1 4.45Å; K194-L198 HydrophobicContact CG-CD1 4.14Å; K194-L198 WeakPolarHBondContact O-CD1 3.18Å; K194-L198 VanDerWaalsContact O-CG 3.22Å; K194-L198 WeakPolarHBondContact O-CG 3.42Å; K194-L198 PolarHBondContact O-N 3.37Å; K194-L198 VanDerWaalsContact O-N 3.15Å; A195-L198 PolarHBondContact O-N 2.81Å; W196-L198 VanDerWaalsContact C-N 3.32Å; W196-L198 PolarHBondContact O-N 3.37Å; L198-G200 VanDerWaalsContact C-N 3.31Å; L198-V433 HydrophobicContact CD1-CG1 3.73Å; L198-Q435 HydrophobicContact CD1-CB 4.44Å; L198-V440 HydrophobicContact CD1-CG2 3.71Å |
| 199 | Y | 98.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | 170.7 | -176.1 | -93.2 | 0 | 0 | 0 | 111.2 | A195 W196 A204 E260 A262 C290 | A195-Y199 PolarHBondContact O-N 2.91Å; W196-Y199 WeakPolarHBondContact O-CB 3.44Å; W196-Y199 PolarHBondContact O-N 3.45Å; Y199-A204 HydrophobicContact CD1-CB 4.35Å; Y199-A204 HydrophobicContact CE1-CB 4.14Å; Y199-E260 HydrophobicContact CE1-CG 4.34Å; Y199-E260 PolarHBondContact OH-OE1 3.02Å; Y199-A262 HydrophobicContact CD1-CB 3.38Å; Y199-A262 HydrophobicContact CD2-CB 4.31Å; Y199-A262 HydrophobicContact CE1-CB 3.98Å; Y199-A262 HydrophobicContact CG-CB 3.58Å; Y199-C290 HydrophobicContact CE2-CB 4.46Å |
| 200 | G | 98.3 | Very high | 98.4 | Very high | 60 Ų | 60 | 34 Ų | 34 | 62% | 0.619 | 19% | 0.191 | S | C | * | . | trans | 87.1 | 6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | W196 E197 L198 | W196-G200 PolarHBondContact O-N 3.1Å; E197-G200 PolarHBondContact O-N 3.13Å; L198-G200 VanDerWaalsContact C-N 3.31Å | ||
| 201 | S | 97.9 | Very high | 98.3 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 19% | 0.189 | 19% | 0.186 | C | C | . | . | trans | -97.7 | 113.1 | 172.7 | -178.8 | 0 | 0 | 0 | 0 | 111 | N203 A204 E260 | S201-N203 PolarHBondContact O-N 3.24Å; S201-A204 PolarHBondContact O-N 3.09Å; S201-E260 WeakPolarHBondContact CB-OE2 3.24Å; S201-E260 PolarHBondContact OG-OE2 2.76Å | ||
| 202 | T | 94.8 | Very high | 98.2 | Very high | 111 Ų | 111 | 40 Ų | 40 | 68% | 0.681 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.9 | -173.6 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 203 | N | 95.1 | Very high | 98.1 | Very high | 129 Ų | 129 | 47 Ų | 47 | 69% | 0.69 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -3.2 | -179.4 | -63.3 | -34.6 | 0 | 0 | 0 | 112.7 | S201 | S201-N203 PolarHBondContact O-N 3.24Š|
| 204 | A | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 150.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W196 Y199 S201 E260 A262 | W196-A204 PolarHBondContact NE1-O 3.13Å; Y199-A204 HydrophobicContact CD1-CB 4.35Å; Y199-A204 HydrophobicContact CE1-CB 4.14Å; S201-A204 PolarHBondContact O-N 3.09Å; A204-E260 CarbonylContact C-O 3.54Å; A204-E260 WeakPolarHBondContact CA-O 3.2Å; A204-E260 HydrophobicContact CB-CB 4.17Å; A204-E260 HydrophobicContact CB-CG 4.08Å; A204-A262 HydrophobicContact CB-CB 3.74Å |
| 205 | L | 98.9 | Very high | 98.1 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 163.2 | -176.1 | -53.7 | 179.2 | 0 | 0 | 0 | 111.7 | H233 I235 Q259 E260 I261 A262 | L205-H233 HydrophobicContact CD2-CB 3.67Å; L205-I235 HydrophobicContact CB-CG1 4.45Å; L205-I235 HydrophobicContact CD1-CD1 4.01Å; L205-I235 HydrophobicContact CD1-CG1 4.09Å; L205-I235 HydrophobicContact CD1-CG2 3.8Å; L205-Q259 HydrophobicContact CD1-CB 3.63Å; L205-Q259 HydrophobicContact CD1-CG 3.97Å; L205-Q259 HydrophobicContact CG-CB 4.3Å; L205-E260 PolarHBondContact N-O 3.04Å; L205-I261 HydrophobicContact CB-CD1 4.05Å; L205-A262 PolarHBondContact O-N 3.21Å |
| 206 | V | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.7 | 159.4 | 175.2 | 0 | 0 | 0 | 0 | 107.9 | I192 L227 I232 H233 V234 I235 V263 | I192-V206 HydrophobicContact CG2-CB 4.44Å; I192-V206 HydrophobicContact CG2-CG1 3.93Å; I192-V206 HydrophobicContact CG2-CG2 3.63Å; V206-L227 HydrophobicContact CG1-CD1 4.42Å; V206-L227 HydrophobicContact CG2-CD1 4.43Å; V206-I232 HydrophobicContact CG2-CG2 3.6Å; V206-H233 PolarHBondContact N-O 3.05Å; V206-V234 HydrophobicContact CB-CG2 4.06Å; V206-V234 HydrophobicContact CG1-CG2 4.25Å; V206-V234 CarbonylContact O-C 3.5Å; V206-V234 VanDerWaalsContact O-CA 3.25Å; V206-V234 WeakPolarHBondContact O-CA 3.12Å; V206-I235 PolarHBondContact O-N 3.34Å; V206-V263 HydrophobicContact CG1-CB 4.43Å; V206-V263 HydrophobicContact CG2-CB 4.26Å |
| 207 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 115.1 | 173.3 | 175.4 | 62.3 | 0 | 0 | 0 | 109.5 | I209 I235 R237 I242 L254 V256 I261 V263 V264 Y265 L286 | L207-I209 HydrophobicContact CD1-CD1 4.14Å; L207-I209 HydrophobicContact CD2-CD1 3.83Å; L207-I209 HydrophobicContact CG-CD1 3.79Å; L207-I209 HydrophobicContact CG-CG1 4.35Å; L207-I235 HydrophobicContact CD1-CD1 4.1Å; L207-I235 HydrophobicContact CD1-CG1 4.02Å; L207-R237 HydrophobicContact CD1-CB 3.89Å; L207-R237 HydrophobicContact CD1-CG 3.8Å; L207-I242 HydrophobicContact CD1-CD1 4.17Å; L207-I242 HydrophobicContact CD2-CD1 3.73Å; L207-L254 HydrophobicContact CD2-CD2 4.12Å; L207-V256 HydrophobicContact CD2-CG2 4.1Å; L207-I261 HydrophobicContact CB-CD1 4.25Å; L207-I261 HydrophobicContact CB-CG1 4.39Å; L207-I261 HydrophobicContact CB-CG2 3.48Å; L207-I261 VanDerWaalsContact CB-CG2 3.48Å; L207-I261 HydrophobicContact CD2-CG2 4.32Å; L207-V263 PolarHBondContact N-O 3.38Å; L207-V264 HydrophobicContact CD2-CG1 4.33Å; L207-V264 HydrophobicContact CD2-CG2 4.26Å; L207-V264 CarbonylContact O-C 3.6Å; L207-V264 WeakPolarHBondContact O-CA 3.47Å; L207-Y265 PolarHBondContact O-N 3.26Å; L207-L286 HydrophobicContact CD2-CD2 3.83Å |
| 208 | L | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 111.9 | 172.9 | -169.3 | 161.6 | 0 | 0 | 0 | 109.3 | A210 Q220 E224 V234 I235 R236 R237 Y265 R267 | L208-A210 HydrophobicContact CD2-CB 3.57Å; L208-Q220 HydrophobicContact CD1-CB 4.28Å; L208-E224 HydrophobicContact CD1-CG 4.18Å; L208-V234 HydrophobicContact CB-CG1 3.69Å; L208-V234 HydrophobicContact CD1-CG1 4.4Å; L208-I235 PolarHBondContact N-O 3.31Å; L208-R236 HydrophobicContact CB-CG 4.37Å; L208-R236 HydrophobicContact CD2-CG 4.48Å; L208-R236 WeakPolarHBondContact O-CA 3.27Å; L208-R237 PolarHBondContact O-N 3.26Å; L208-Y265 WeakPolarHBondContact CA-O 3.37Å; L208-Y265 HydrophobicContact CD1-CD1 3.88Å; L208-Y265 HydrophobicContact CD1-CE1 4.16Å; L208-Y265 HydrophobicContact CG-CD1 3.94Å; L208-R267 HydrophobicContact CD1-CG 4.41Å; L208-R267 HydrophobicContact CD2-CB 4.06Å; L208-R267 HydrophobicContact CD2-CG 3.85Å; L208-R267 HydrophobicContact CG-CG 4.13Å |
| 209 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 115.4 | 176.4 | -58.6 | -62.1 | 0 | 0 | 0 | 109.2 | L207 R237 F239 I242 V264 Y265 F266 R267 D268 L286 | L207-I209 HydrophobicContact CD1-CD1 4.14Å; L207-I209 HydrophobicContact CD2-CD1 3.83Å; L207-I209 HydrophobicContact CG-CD1 3.79Å; L207-I209 HydrophobicContact CG-CG1 4.35Å; I209-R237 WeakPolarHBondContact CA-O 3.31Å; I209-F239 HydrophobicContact CG2-CD1 4.22Å; I209-F239 HydrophobicContact CG2-CD2 4.12Å; I209-F239 HydrophobicContact CG2-CE1 3.95Å; I209-F239 HydrophobicContact CG2-CE2 3.85Å; I209-F239 HydrophobicContact CG2-CG 4.29Å; I209-F239 HydrophobicContact CG2-CZ 3.76Å; I209-I242 HydrophobicContact CD1-CD1 4.04Å; I209-I242 HydrophobicContact CD1-CG1 3.69Å; I209-V264 HydrophobicContact CG1-CG1 3.89Å; I209-Y265 PolarHBondContact N-O 3.07Å; I209-F266 HydrophobicContact CB-CD1 3.95Å; I209-F266 HydrophobicContact CB-CE1 4.46Å; I209-F266 HydrophobicContact CG1-CD1 3.99Å; I209-F266 HydrophobicContact CG1-CE1 4.03Å; I209-F266 HydrophobicContact CG2-CD1 4.25Å; I209-R267 CarbonylContact O-C 3.57Å; I209-R267 VanDerWaalsContact O-CA 3.31Å; I209-R267 WeakPolarHBondContact O-CA 3.47Å; I209-R267 WeakPolarHBondContact O-CB 3.48Å; I209-R267 PolarHBondContact O-N 3.02Å; I209-D268 HydrophobicContact CG2-CB 4.25Å; I209-D268 PolarHBondContact O-N 2.9Å; I209-L286 HydrophobicContact CD1-CD1 4.11Å; I209-L286 HydrophobicContact CG1-CD1 4.16Å |
| 210 | A | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | trans | -144.3 | 153.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L208 R237 T238 R267 | L208-A210 HydrophobicContact CD2-CB 3.57Å; A210-R237 PolarHBondContact N-O 3.43Å; A210-T238 WeakPolarHBondContact O-CA 3.25Å; A210-R267 HydrophobicContact CB-CB 4.33Å | ||
| 211 | Q | 97.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | trans | -66 | 152.9 | 169.6 | -74.1 | 166.6 | 78 | 0 | 0 | 110.8 | K213 E214 D268 Q274 | Q211-K213 VanDerWaalsContact C-N 3.34Å; Q211-E214 WeakPolarHBondContact O-CB 3.49Å; Q211-D268 HydrophobicContact CG-CB 4.5Å; Q211-D268 WeakPolarHBondContact CG-OD1 3.32Å; Q211-D268 WeakPolarHBondContact CG-OD2 3.44Å; Q211-D268 PolarHBondContact NE2-OD1 3.29Å; Q211-Q274 VanDerWaalsContact NE2-NE2 3.11Å | ||
| 212 | E | 96.2 | Very high | 98.1 | Very high | 140 Ų | 140 | 42.7 Ų | 42.7 | 65% | 0.654 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -63.3 | -43.8 | 168.9 | -57.9 | -170.2 | 153.3 | 0 | 0 | 111.2 | T40 E214 T238 | T40-E212 HydrophobicContact CG2-CB 4.34Å; E212-E214 PolarHBondContact O-N 3.19Å; E212-T238 HydrophobicContact CG-CG2 3.56Å |
| 213 | K | 97.8 | Very high | 98.3 | Very high | 148 Ų | 148 | 37.5 Ų | 37.5 | 64% | 0.643 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -79 | 69.2 | 177 | -64.2 | -174.1 | -179.4 | 179.9 | 0 | 110.5 | P39 T40 Q211 | P39-K213 HydrophobicContact CB-CB 4.04Å; P39-K213 HydrophobicContact CG-CB 3.95Å; P39-K213 HydrophobicContact CG-CD 4.26Å; P39-K213 HydrophobicContact CG-CG 3.97Å; T40-K213 HydrophobicContact CG2-CG 3.83Å; Q211-K213 VanDerWaalsContact C-N 3.34Å |
| 214 | E | 98.1 | Very high | 98.5 | Very high | 22 Ų | 22 | 32 Ų | 32 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | trans | -114.7 | 98.2 | -175.9 | 178.4 | 54.8 | -93.8 | 0 | 0 | 111.4 | P39 Q211 E212 N216 I217 Q220 | P39-E214 CarbonylContact O-C 3.46Å; P39-E214 PolarHBondContact O-N 3.46Å; Q211-E214 WeakPolarHBondContact O-CB 3.49Å; E212-E214 PolarHBondContact O-N 3.19Å; E214-N216 VanDerWaalsContact C-N 3.3Å; E214-N216 PolarHBondContact O-N 2.89Å; E214-N216 WeakPolarHBondContact OE1-CA 3.31Å; E214-N216 VanDerWaalsContact OE1-CB 3.27Å; E214-N216 WeakPolarHBondContact OE1-CB 3.46Å; E214-N216 PolarHBondContact OE1-N 3.33Å; E214-I217 HydrophobicContact CG-CB 4.2Å; E214-Q220 PolarHBondContact OE2-NE2 2.92Å | ||
| 215 | R | 98.3 | Very high | 98.5 | Very high | 96 Ų | 96 | 36.3 Ų | 36.3 | 36% | 0.362 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -31.9 | 177.5 | -68.6 | 178.7 | 64.4 | -158.9 | -4.1 | 113 | L33 R34 P39 I217 | L33-R215 WeakPolarHBondContact CA-O 3.28Å; R34-R215 PolarHBondContact N-O 2.91Å; R34-R215 PolarHBondContact O-NE 3.03Å; P39-R215 HydrophobicContact CB-CG 3.79Å; R215-I217 PolarHBondContact O-N 2.88Å |
| 216 | N | 98.4 | Very high | 98.5 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 28.6 | -175.4 | -160.4 | 27.7 | 0 | 0 | 0 | 112.3 | L33 F152 E214 F218 D219 Q220 | L33-N216 HydrophobicContact CD2-CB 3.91Å; L33-N216 VanDerWaalsContact CD2-OD1 3.27Å; L33-N216 WeakPolarHBondContact CD2-OD1 3.5Å; F152-N216 VanDerWaalsContact CE1-ND2 3.34Å; F152-N216 WeakPolarHBondContact CE1-ND2 3.37Å; E214-N216 VanDerWaalsContact C-N 3.3Å; E214-N216 PolarHBondContact O-N 2.89Å; E214-N216 WeakPolarHBondContact OE1-CA 3.31Å; E214-N216 VanDerWaalsContact OE1-CB 3.27Å; E214-N216 WeakPolarHBondContact OE1-CB 3.46Å; E214-N216 PolarHBondContact OE1-N 3.33Å; N216-F218 VanDerWaalsContact C-N 3.25Å; N216-F218 PolarHBondContact O-N 3.24Å; N216-D219 WeakPolarHBondContact O-CB 3.11Å; N216-D219 PolarHBondContact O-N 2.89Å; N216-D219 VanDerWaalsContact OD1-CB 3.23Å; N216-D219 WeakPolarHBondContact OD1-CB 3.4Å; N216-Q220 PolarHBondContact O-N 3.1Å |
| 217 | I | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 5% | 0.046 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.1 | -34.2 | -178.7 | -169.5 | 169.3 | 0 | 0 | 0 | 112.3 | R34 E214 R215 D219 Q220 R221 | R34-I217 HydrophobicContact CG-CG2 4.01Å; E214-I217 HydrophobicContact CG-CB 4.2Å; R215-I217 PolarHBondContact O-N 2.88Å; I217-D219 VanDerWaalsContact C-N 3.28Å; I217-D219 PolarHBondContact O-N 2.75Å; I217-Q220 WeakPolarHBondContact O-CA 3.25Å; I217-Q220 WeakPolarHBondContact O-CB 3.34Å; I217-Q220 PolarHBondContact O-N 2.71Å; I217-R221 HydrophobicContact CG1-CG 4.16Å; I217-R221 VanDerWaalsContact O-CG 3.32Å; I217-R221 WeakPolarHBondContact O-CG 3.47Å; I217-R221 PolarHBondContact O-N 3.17Å |
| 218 | F | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 16% | 0.158 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.2 | -29.1 | -178.1 | -57.9 | -73.1 | 0 | 0 | 0 | 113.3 | L32 R34 V45 L155 N216 A222 | L32-F218 HydrophobicContact CB-CB 4.24Å; L32-F218 HydrophobicContact CB-CD1 4.47Å; L32-F218 HydrophobicContact CB-CD2 3.56Å; L32-F218 HydrophobicContact CB-CE2 4.04Å; L32-F218 HydrophobicContact CB-CG 3.82Å; L32-F218 HydrophobicContact CD1-CD1 4.42Å; R34-F218 HydrophobicContact CG-CE2 3.94Å; R34-F218 HydrophobicContact CG-CZ 4.45Å; V45-F218 HydrophobicContact CB-CE2 4.3Å; V45-F218 HydrophobicContact CB-CZ 4.47Å; V45-F218 HydrophobicContact CG1-CE2 3.53Å; V45-F218 HydrophobicContact CG1-CZ 3.4Å; V45-F218 VanDerWaalsContact CG1-CZ 3.4Å; L155-F218 HydrophobicContact CD2-CB 4.4Å; N216-F218 VanDerWaalsContact C-N 3.25Å; N216-F218 PolarHBondContact O-N 3.24Å; F218-A222 PolarHBondContact O-N 3.39Å |
| 219 | D | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 169.8 | -179.4 | 63.5 | 0 | 0 | 0 | 111.4 | F152 G153 G154 L155 N216 I217 A222 R267 | F152-D219 WeakPolarHBondContact CA-OD1 3.34Å; F152-D219 VanDerWaalsContact N-CG 3.32Å; F152-D219 PolarHBondContact N-OD1 3.01Å; F152-D219 PolarHBondContact N-OD2 3.05Å; G153-D219 PolarHBondContact N-OD1 3.02Å; G154-D219 VanDerWaalsContact CA-OD1 3.25Å; G154-D219 WeakPolarHBondContact CA-OD1 3.49Å; G154-D219 PolarHBondContact N-OD1 2.94Å; L155-D219 HydrophobicContact CD1-CB 4.49Å; L155-D219 HydrophobicContact CG-CB 3.98Å; L155-D219 PolarHBondContact N-OD1 3.48Å; N216-D219 WeakPolarHBondContact O-CB 3.11Å; N216-D219 PolarHBondContact O-N 2.89Å; N216-D219 VanDerWaalsContact OD1-CB 3.23Å; N216-D219 WeakPolarHBondContact OD1-CB 3.4Å; I217-D219 VanDerWaalsContact C-N 3.28Å; I217-D219 PolarHBondContact O-N 2.75Å; D219-A222 WeakPolarHBondContact O-CB 3.37Å; D219-A222 PolarHBondContact O-N 2.86Å; D219-R267 IonicContact OD2-CZ 2.85Å; D219-R267 IonicContact OD2-NH1 2.98Å; D219-R267 PolarHBondContact OD2-NH1 2.87Å; D219-R267 IonicContact OD2-NH2 2.77Å; D219-R267 PolarHBondContact OD2-NH2 3.22Å |
| 220 | Q | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.3 | -45.4 | 177.6 | -64.7 | 171.1 | 14.7 | 0 | 0 | 111 | L208 E214 N216 I217 A222 I223 E224 R267 | L208-Q220 HydrophobicContact CD1-CB 4.28Å; E214-Q220 PolarHBondContact OE2-NE2 2.92Å; N216-Q220 PolarHBondContact O-N 3.1Å; I217-Q220 WeakPolarHBondContact O-CA 3.25Å; I217-Q220 WeakPolarHBondContact O-CB 3.34Å; I217-Q220 PolarHBondContact O-N 2.71Å; Q220-A222 PolarHBondContact O-N 2.85Å; Q220-A222 VanDerWaalsContact O-N 3.16Å; Q220-I223 WeakPolarHBondContact O-CB 3.47Å; Q220-I223 PolarHBondContact O-N 3.16Å; Q220-E224 PolarHBondContact O-N 2.88Å; Q220-R267 HydrophobicContact CG-CG 3.96Å |
| 221 | R | 98.8 | Very high | 98.4 | Very high | 104 Ų | 104 | 55.3 Ų | 55.3 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.6 | -28 | 177.3 | -66.6 | -63.7 | -175.5 | 178.7 | 7.2 | 112.9 | I217 I223 E224 N225 | I217-R221 HydrophobicContact CG1-CG 4.16Å; I217-R221 VanDerWaalsContact O-CG 3.32Å; I217-R221 WeakPolarHBondContact O-CG 3.47Å; I217-R221 PolarHBondContact O-N 3.17Å; R221-I223 VanDerWaalsContact C-N 3.27Å; R221-I223 PolarHBondContact O-N 3.26Å; R221-E224 WeakPolarHBondContact CD-OE2 3.02Å; R221-E224 IonicContact CZ-OE2 2.71Å; R221-E224 IonicContact NE-OE2 2.88Å; R221-E224 IonicContact NH1-OE1 3.83Å; R221-E224 IonicContact NH1-OE2 2.84Å; R221-E224 PolarHBondContact NH1-OE2 3.27Å; R221-E224 PolarHBondContact O-N 3.35Å; R221-N225 WeakPolarHBondContact O-CB 3.28Å; R221-N225 PolarHBondContact O-N 2.8Å; R221-N225 PolarHBondContact O-ND2 3.43Å; R221-N225 PolarHBondContact O-OD1 3.43Å |
| 222 | A | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 53 Ų | 53 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G154 F218 D219 Q220 E226 | G154-A222 VanDerWaalsContact CA-CB 3.49Å; F218-A222 PolarHBondContact O-N 3.39Å; D219-A222 WeakPolarHBondContact O-CB 3.37Å; D219-A222 PolarHBondContact O-N 2.86Å; Q220-A222 PolarHBondContact O-N 2.85Å; Q220-A222 VanDerWaalsContact O-N 3.16Å; A222-E226 WeakPolarHBondContact O-CG 3.43Å; A222-E226 PolarHBondContact O-N 3.21Å |
| 223 | I | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.8 | -44.8 | 175.3 | -53 | -58.4 | 0 | 0 | 0 | 110.5 | S185 L188 A189 I192 Q220 R221 N225 E226 L227 Y265 | S185-I223 VanDerWaalsContact CA-CD1 3.45Å; S185-I223 WeakPolarHBondContact O-CD1 3.25Å; L188-I223 HydrophobicContact CB-CD1 3.66Å; L188-I223 HydrophobicContact CD1-CD1 3.99Å; L188-I223 HydrophobicContact CG-CD1 4.48Å; A189-I223 HydrophobicContact CB-CG2 4.13Å; I192-I223 HydrophobicContact CD1-CG2 3.8Å; Q220-I223 WeakPolarHBondContact O-CB 3.47Å; Q220-I223 PolarHBondContact O-N 3.16Å; R221-I223 VanDerWaalsContact C-N 3.27Å; R221-I223 PolarHBondContact O-N 3.26Å; I223-N225 VanDerWaalsContact C-N 3.3Å; I223-N225 PolarHBondContact O-N 3.47Å; I223-E226 PolarHBondContact O-N 2.93Å; I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 HydrophobicContact CG2-CG 4.48Å; I223-L227 WeakPolarHBondContact O-CG 3.3Å; I223-L227 PolarHBondContact O-N 3.18Å; I223-Y265 HydrophobicContact CG2-CE1 4.41Å |
| 224 | E | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -41.7 | 178.8 | -58.5 | 177.3 | -139.3 | 0 | 0 | 111.6 | L208 Q220 R221 L227 L228 V234 R236 | L208-E224 HydrophobicContact CD1-CG 4.18Å; Q220-E224 PolarHBondContact O-N 2.88Å; R221-E224 WeakPolarHBondContact CD-OE2 3.02Å; R221-E224 IonicContact CZ-OE2 2.71Å; R221-E224 IonicContact NE-OE2 2.88Å; R221-E224 IonicContact NH1-OE1 3.83Å; R221-E224 IonicContact NH1-OE2 2.84Å; R221-E224 PolarHBondContact NH1-OE2 3.27Å; R221-E224 PolarHBondContact O-N 3.35Å; E224-L227 PolarHBondContact O-N 3.2Å; E224-L228 VanDerWaalsContact O-CB 3.3Å; E224-L228 WeakPolarHBondContact O-CB 3.36Å; E224-L228 PolarHBondContact O-N 3.04Å; E224-V234 HydrophobicContact CB-CB 4.48Å; E224-V234 HydrophobicContact CB-CG2 4.26Å; E224-V234 HydrophobicContact CG-CB 4.1Å; E224-V234 HydrophobicContact CG-CG1 3.99Å; E224-V234 HydrophobicContact CG-CG2 4.09Å; E224-R236 WeakPolarHBondContact OE1-CD 3.38Å; E224-R236 IonicContact OE1-CZ 2.85Å; E224-R236 IonicContact OE1-NE 2.89Å; E224-R236 IonicContact OE1-NH1 3.83Å; E224-R236 PolarHBondContact OE1-NH1 3.25Å |
| 225 | N | 98.9 | Very high | 98.7 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 49% | 0.492 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 178.1 | -67.6 | -9.9 | 0 | 0 | 0 | 112.1 | R221 I223 L228 A229 | R221-N225 WeakPolarHBondContact O-CB 3.28Å; R221-N225 PolarHBondContact O-N 2.8Å; R221-N225 PolarHBondContact O-ND2 3.43Å; R221-N225 PolarHBondContact O-OD1 3.43Å; I223-N225 VanDerWaalsContact C-N 3.3Å; I223-N225 PolarHBondContact O-N 3.47Å; N225-L228 PolarHBondContact O-N 3.17Å; N225-A229 WeakPolarHBondContact O-CB 3.18Å; N225-A229 PolarHBondContact O-N 2.99Å |
| 226 | E | 98.9 | Very high | 98.8 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.3 | -76.9 | -78.7 | 175.9 | 0 | 0 | 111.5 | A189 A222 I223 R230 | A189-E226 HydrophobicContact CB-CB 3.37Å; A189-E226 HydrophobicContact CB-CG 4.29Å; A222-E226 WeakPolarHBondContact O-CG 3.43Å; A222-E226 PolarHBondContact O-N 3.21Å; I223-E226 PolarHBondContact O-N 2.93Å; E226-R230 PolarHBondContact O-NH1 2.95Å; E226-R230 IonicContact OE2-CZ 3.39Å; E226-R230 IonicContact OE2-NH1 3.59Å; E226-R230 PolarHBondContact OE2-NH1 3.18Å; E226-R230 IonicContact OE2-NH2 3.86Å; E226-R230 PolarHBondContact OE2-NH2 3.18Å |
| 227 | L | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -44.7 | 174.7 | -69.9 | 170 | 0 | 0 | 0 | 111.8 | A189 I192 A193 V206 I223 E224 A229 R230 N231 I232 V234 | A189-L227 HydrophobicContact CB-CD2 4.34Å; A189-L227 HydrophobicContact CB-CG 4.21Å; A189-L227 WeakPolarHBondContact O-CD2 3.47Å; I192-L227 HydrophobicContact CB-CD1 4.39Å; I192-L227 HydrophobicContact CB-CD2 4.07Å; I192-L227 HydrophobicContact CD1-CD1 4.38Å; I192-L227 HydrophobicContact CG2-CD1 3.82Å; I192-L227 HydrophobicContact CG2-CD2 3.82Å; I192-L227 HydrophobicContact CG2-CG 4.49Å; A193-L227 HydrophobicContact CB-CD2 4.1Å; V206-L227 HydrophobicContact CG1-CD1 4.42Å; V206-L227 HydrophobicContact CG2-CD1 4.43Å; I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 HydrophobicContact CG2-CG 4.48Å; I223-L227 WeakPolarHBondContact O-CG 3.3Å; I223-L227 PolarHBondContact O-N 3.18Å; E224-L227 PolarHBondContact O-N 3.2Å; L227-A229 VanDerWaalsContact C-N 3.3Å; L227-A229 PolarHBondContact O-N 3.29Å; L227-R230 CarbonylContact O-C 3.55Å; L227-R230 WeakPolarHBondContact O-CA 3.23Å; L227-R230 WeakPolarHBondContact O-CB 3.38Å; L227-R230 PolarHBondContact O-N 3.47Å; L227-N231 PolarHBondContact O-N 2.96Å; L227-I232 CarbonylContact C-O 3.54Å; L227-I232 HydrophobicContact CB-CB 4.21Å; L227-I232 HydrophobicContact CB-CG2 4.45Å; L227-I232 HydrophobicContact CD2-CB 4.39Å; L227-I232 HydrophobicContact CD2-CD1 4.36Å; L227-I232 HydrophobicContact CD2-CG2 4.29Å; L227-I232 PolarHBondContact O-N 2.83Å; L227-V234 HydrophobicContact CB-CG2 4.31Å; L227-V234 HydrophobicContact CD1-CG2 3.63Å |
| 228 | L | 98.8 | Very high | 98.8 | Very high | 93 Ų | 93 | 46.7 Ų | 46.7 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.9 | -38.2 | 178.6 | -179 | 63 | 0 | 0 | 0 | 111.9 | E224 N225 R230 N231 I232 | E224-L228 VanDerWaalsContact O-CB 3.3Å; E224-L228 WeakPolarHBondContact O-CB 3.36Å; E224-L228 PolarHBondContact O-N 3.04Å; N225-L228 PolarHBondContact O-N 3.17Å; L228-R230 PolarHBondContact O-N 2.79Å; L228-R230 VanDerWaalsContact O-N 3.09Å; L228-N231 WeakPolarHBondContact O-CA 3.27Å; L228-N231 PolarHBondContact O-N 3.2Å; L228-I232 PolarHBondContact N-O 3.46Å |
| 229 | A | 98.6 | Very high | 98.8 | Very high | 81 Ų | 81 | 45 Ų | 45 | 67% | 0.669 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -13.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N225 L227 | N225-A229 WeakPolarHBondContact O-CB 3.18Å; N225-A229 PolarHBondContact O-N 2.99Å; L227-A229 VanDerWaalsContact C-N 3.3Å; L227-A229 PolarHBondContact O-N 3.29Å |
| 230 | R | 98.4 | Very high | 98.8 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 15.3 | 173.1 | -61 | 171.7 | 177.8 | 79.5 | -1.9 | 112.3 | E226 L227 L228 I232 | E226-R230 PolarHBondContact O-NH1 2.95Å; E226-R230 IonicContact OE2-CZ 3.39Å; E226-R230 IonicContact OE2-NH1 3.59Å; E226-R230 PolarHBondContact OE2-NH1 3.18Å; E226-R230 IonicContact OE2-NH2 3.86Å; E226-R230 PolarHBondContact OE2-NH2 3.18Å; L227-R230 CarbonylContact O-C 3.55Å; L227-R230 WeakPolarHBondContact O-CA 3.23Å; L227-R230 WeakPolarHBondContact O-CB 3.38Å; L227-R230 PolarHBondContact O-N 3.47Å; L228-R230 PolarHBondContact O-N 2.79Å; L228-R230 VanDerWaalsContact O-N 3.09Å; R230-I232 PolarHBondContact O-N 2.9Å |
| 231 | N | 98.4 | Very high | 98.8 | Very high | 130 Ų | 130 | 50.8 Ų | 50.8 | 70% | 0.695 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 18.5 | -178.4 | -51.6 | 97.2 | 0 | 0 | 0 | 114.9 | L227 L228 H233 | L227-N231 PolarHBondContact O-N 2.96Å; L228-N231 WeakPolarHBondContact O-CA 3.27Å; L228-N231 PolarHBondContact O-N 3.2Å; N231-H233 PolarHBondContact O-ND1 2.97Å |
| 232 | I | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | trans | -94.8 | 120.8 | 174.5 | -58.9 | 175.3 | 0 | 0 | 0 | 108.4 | A193 W196 V206 L227 L228 R230 | A193-I232 HydrophobicContact CB-CD1 3.61Å; W196-I232 HydrophobicContact CB-CD1 4.32Å; W196-I232 HydrophobicContact CD2-CD1 3.84Å; W196-I232 HydrophobicContact CD2-CG1 3.93Å; W196-I232 HydrophobicContact CD2-CG2 4.25Å; W196-I232 HydrophobicContact CE3-CD1 3.59Å; W196-I232 HydrophobicContact CE3-CG1 3.86Å; W196-I232 HydrophobicContact CG-CD1 4.15Å; W196-I232 HydrophobicContact CG-CG1 4.45Å; W196-I232 HydrophobicContact CG-CG2 4.02Å; W196-I232 HydrophobicContact CH2-CG1 4.46Å; W196-I232 HydrophobicContact CZ2-CG1 4.5Å; W196-I232 HydrophobicContact CZ3-CD1 4.22Å; W196-I232 HydrophobicContact CZ3-CG1 4.14Å; V206-I232 HydrophobicContact CG2-CG2 3.6Å; L227-I232 CarbonylContact C-O 3.54Å; L227-I232 HydrophobicContact CB-CB 4.21Å; L227-I232 HydrophobicContact CB-CG2 4.45Å; L227-I232 HydrophobicContact CD2-CB 4.39Å; L227-I232 HydrophobicContact CD2-CD1 4.36Å; L227-I232 HydrophobicContact CD2-CG2 4.29Å; L227-I232 PolarHBondContact O-N 2.83Å; L228-I232 PolarHBondContact N-O 3.46Å; R230-I232 PolarHBondContact O-N 2.9Å | ||
| 233 | H | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 47.7 Ų | 47.7 | 48% | 0.477 | 25% | 0.248 | S | C | . | . | trans | -93.2 | 142.6 | -173.6 | -68 | 76.4 | 0 | 0 | 0 | 111.4 | L205 V206 N231 | L205-H233 HydrophobicContact CD2-CB 3.67Å; V206-H233 PolarHBondContact N-O 3.05Å; N231-H233 PolarHBondContact O-ND1 2.97Å | ||
| 234 | V | 98.9 | Very high | 98.7 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.4 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | V206 L208 E224 L227 | V206-V234 HydrophobicContact CB-CG2 4.06Å; V206-V234 HydrophobicContact CG1-CG2 4.25Å; V206-V234 CarbonylContact O-C 3.5Å; V206-V234 VanDerWaalsContact O-CA 3.25Å; V206-V234 WeakPolarHBondContact O-CA 3.12Å; L208-V234 HydrophobicContact CB-CG1 3.69Å; L208-V234 HydrophobicContact CD1-CG1 4.4Å; E224-V234 HydrophobicContact CB-CB 4.48Å; E224-V234 HydrophobicContact CB-CG2 4.26Å; E224-V234 HydrophobicContact CG-CB 4.1Å; E224-V234 HydrophobicContact CG-CG1 3.99Å; E224-V234 HydrophobicContact CG-CG2 4.09Å; L227-V234 HydrophobicContact CB-CG2 4.31Å; L227-V234 HydrophobicContact CD1-CG2 3.63Å |
| 235 | I | 98.8 | Very high | 98.7 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.2 | 163 | 54.4 | 166 | 0 | 0 | 0 | 109.8 | L205 V206 L207 L208 V256 I261 | L205-I235 HydrophobicContact CB-CG1 4.45Å; L205-I235 HydrophobicContact CD1-CD1 4.01Å; L205-I235 HydrophobicContact CD1-CG1 4.09Å; L205-I235 HydrophobicContact CD1-CG2 3.8Å; V206-I235 PolarHBondContact O-N 3.34Å; L207-I235 HydrophobicContact CD1-CD1 4.1Å; L207-I235 HydrophobicContact CD1-CG1 4.02Å; L208-I235 PolarHBondContact N-O 3.31Å; I235-V256 HydrophobicContact CD1-CB 4.27Å; I235-V256 HydrophobicContact CD1-CG1 4.27Å; I235-I261 HydrophobicContact CD1-CD1 3.9Å; I235-I261 HydrophobicContact CG1-CD1 4.48Å |
| 236 | R | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.9 | 179.1 | -60.8 | 172.3 | 59.6 | 78.3 | 10.9 | 109.3 | L208 E224 | L208-R236 HydrophobicContact CB-CG 4.37Å; L208-R236 HydrophobicContact CD2-CG 4.48Å; L208-R236 WeakPolarHBondContact O-CA 3.27Å; E224-R236 WeakPolarHBondContact OE1-CD 3.38Å; E224-R236 IonicContact OE1-CZ 2.85Å; E224-R236 IonicContact OE1-NE 2.89Å; E224-R236 IonicContact OE1-NH1 3.83Å; E224-R236 PolarHBondContact OE1-NH1 3.25Å |
| 237 | R | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 54.6 Ų | 54.6 | 26% | 0.26 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153.9 | -179.7 | -65.8 | -66.9 | 178.3 | -97.9 | 6.4 | 110.3 | L207 L208 I209 A210 D241 I242 V256 D257 | L207-R237 HydrophobicContact CD1-CB 3.89Å; L207-R237 HydrophobicContact CD1-CG 3.8Å; L208-R237 PolarHBondContact O-N 3.26Å; I209-R237 WeakPolarHBondContact CA-O 3.31Å; A210-R237 PolarHBondContact N-O 3.43Å; R237-D241 HydrophobicContact CB-CB 3.8Å; R237-D241 VanDerWaalsContact CD-OD2 3.3Å; R237-D241 WeakPolarHBondContact CD-OD2 3.35Å; R237-D241 HydrophobicContact CG-CB 4.21Å; R237-I242 HydrophobicContact CB-CD1 4.12Å; R237-V256 HydrophobicContact CG-CG1 4.22Å; R237-D257 IonicContact CZ-OD2 2.89Å; R237-D257 VanDerWaalsContact CZ-OD2 3.29Å; R237-D257 IonicContact NE-OD2 2.77Å; R237-D257 PolarHBondContact NE-OD2 3.31Å; R237-D257 IonicContact NH2-OD2 2.68Å; R237-D257 PolarHBondContact NH2-OD2 3.03Å |
| 238 | T | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | trans | -85.1 | 176.4 | 167.9 | 75.6 | 0 | 0 | 0 | 0 | 110.5 | A210 E212 E240 D241 I242 | A210-T238 WeakPolarHBondContact O-CA 3.25Å; E212-T238 HydrophobicContact CG-CG2 3.56Å; T238-E240 VanDerWaalsContact C-N 3.3Å; T238-E240 WeakPolarHBondContact CB-OE2 3.41Å; T238-E240 PolarHBondContact OG1-N 2.92Å; T238-E240 PolarHBondContact OG1-OE2 3.47Å; T238-D241 PolarHBondContact N-OD2 3.34Å; T238-D241 PolarHBondContact OG1-N 2.95Å; T238-I242 WeakPolarHBondContact O-CG1 3.35Å; T238-I242 PolarHBondContact O-N 3.11Å | ||
| 239 | F | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 170 | -77.7 | -67.2 | 0 | 0 | 0 | 112.1 | I209 D241 I242 S243 F266 D268 Y275 N279 A282 R283 L286 | I209-F239 HydrophobicContact CG2-CD1 4.22Å; I209-F239 HydrophobicContact CG2-CD2 4.12Å; I209-F239 HydrophobicContact CG2-CE1 3.95Å; I209-F239 HydrophobicContact CG2-CE2 3.85Å; I209-F239 HydrophobicContact CG2-CG 4.29Å; I209-F239 HydrophobicContact CG2-CZ 3.76Å; F239-D241 VanDerWaalsContact C-N 3.35Å; F239-D241 PolarHBondContact O-N 3.44Å; F239-I242 WeakPolarHBondContact O-CA 3.41Å; F239-I242 WeakPolarHBondContact O-CB 3.47Å; F239-I242 PolarHBondContact O-N 3.12Å; F239-S243 PolarHBondContact O-N 2.84Å; F239-S243 PolarHBondContact O-OG 3.31Å; F239-F266 HydrophobicContact CE1-CD1 4.49Å; F239-F266 HydrophobicContact CE1-CE1 4.08Å; F239-F266 HydrophobicContact CZ-CD1 4.16Å; F239-F266 HydrophobicContact CZ-CE1 4.16Å; F239-D268 HydrophobicContact CE2-CB 4.24Å; F239-Y275 HydrophobicContact CE1-CE1 4.46Å; F239-Y275 HydrophobicContact CE2-CE1 4.1Å; F239-Y275 HydrophobicContact CZ-CE1 4.08Å; F239-N279 HydrophobicContact CB-CB 3.69Å; F239-N279 VanDerWaalsContact CB-CG 3.48Å; F239-N279 HydrophobicContact CD2-CB 4.41Å; F239-N279 HydrophobicContact CG-CB 4.11Å; F239-A282 HydrophobicContact CB-CB 4.32Å; F239-A282 HydrophobicContact CD1-CB 4.08Å; F239-A282 WeakPolarHBondContact O-CB 3.49Å; F239-R283 HydrophobicContact CE1-CB 4.06Å; F239-L286 HydrophobicContact CD1-CD1 4.34Å; F239-L286 HydrophobicContact CE1-CD1 4Å |
| 240 | E | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 177.9 | -60.8 | 76.4 | -171 | 0 | 0 | 111.5 | T238 I242 S243 E244 N279 | T238-E240 VanDerWaalsContact C-N 3.3Å; T238-E240 WeakPolarHBondContact CB-OE2 3.41Å; T238-E240 PolarHBondContact OG1-N 2.92Å; T238-E240 PolarHBondContact OG1-OE2 3.47Å; E240-I242 PolarHBondContact O-N 3.23Å; E240-S243 WeakPolarHBondContact O-CB 3.42Å; E240-S243 PolarHBondContact O-N 3.38Å; E240-E244 PolarHBondContact O-N 3.16Å; E240-N279 PolarHBondContact OE1-ND2 3.07Å; E240-N279 PolarHBondContact OE1-OD1 3.31Å |
| 241 | D | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 61 Ų | 61 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.2 | -37.6 | 171.2 | -85.7 | -45.2 | 0 | 0 | 0 | 112.3 | R237 T238 F239 E244 K245 | R237-D241 HydrophobicContact CB-CB 3.8Å; R237-D241 VanDerWaalsContact CD-OD2 3.3Å; R237-D241 WeakPolarHBondContact CD-OD2 3.35Å; R237-D241 HydrophobicContact CG-CB 4.21Å; T238-D241 PolarHBondContact N-OD2 3.34Å; T238-D241 PolarHBondContact OG1-N 2.95Å; F239-D241 VanDerWaalsContact C-N 3.35Å; F239-D241 PolarHBondContact O-N 3.44Å; D241-E244 PolarHBondContact O-N 3.1Å; D241-K245 WeakPolarHBondContact O-CB 3.35Å; D241-K245 PolarHBondContact O-N 3Å; D241-K245 IonicContact OD1-NZ 3.44Å; D241-K245 PolarHBondContact OD1-NZ 3.07Å |
| 242 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 177.7 | -59.5 | -50 | 0 | 0 | 0 | 111 | L207 I209 R237 T238 F239 E240 E244 G246 V256 A282 L285 L286 | L207-I242 HydrophobicContact CD1-CD1 4.17Å; L207-I242 HydrophobicContact CD2-CD1 3.73Å; I209-I242 HydrophobicContact CD1-CD1 4.04Å; I209-I242 HydrophobicContact CD1-CG1 3.69Å; R237-I242 HydrophobicContact CB-CD1 4.12Å; T238-I242 WeakPolarHBondContact O-CG1 3.35Å; T238-I242 PolarHBondContact O-N 3.11Å; F239-I242 WeakPolarHBondContact O-CA 3.41Å; F239-I242 WeakPolarHBondContact O-CB 3.47Å; F239-I242 PolarHBondContact O-N 3.12Å; E240-I242 PolarHBondContact O-N 3.23Å; I242-E244 VanDerWaalsContact C-N 3.26Å; I242-E244 PolarHBondContact O-N 2.84Å; I242-G246 WeakPolarHBondContact O-CA 3.47Å; I242-G246 PolarHBondContact O-N 2.71Å; I242-V256 HydrophobicContact CD1-CG1 4.18Å; I242-V256 HydrophobicContact CD1-CG2 3.72Å; I242-A282 HydrophobicContact CB-CB 3.98Å; I242-A282 HydrophobicContact CG2-CB 3.89Å; I242-L285 HydrophobicContact CG2-CD2 3.88Å; I242-L286 HydrophobicContact CG1-CD1 4.48Å; I242-L286 HydrophobicContact CG1-CD2 4.42Å; I242-L286 HydrophobicContact CG2-CD1 4.38Å; I242-L286 HydrophobicContact CG2-CD2 3.92Å; I242-L286 HydrophobicContact CG2-CG 4.03Å |
| 243 | S | 98.1 | Very high | 98.6 | Very high | 46 Ų | 46 | 61.6 Ų | 61.6 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 172.8 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | F239 E240 Q278 A282 | F239-S243 PolarHBondContact O-N 2.84Å; F239-S243 PolarHBondContact O-OG 3.31Å; E240-S243 WeakPolarHBondContact O-CB 3.42Å; E240-S243 PolarHBondContact O-N 3.38Å; S243-Q278 PolarHBondContact OG-O 3.44Å; S243-Q278 VanDerWaalsContact OG-O 3.07Å; S243-A282 WeakPolarHBondContact OG-CB 3.38Å |
| 244 | E | 98.4 | Very high | 98.6 | Very high | 145 Ų | 145 | 56.7 Ų | 56.7 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -80.6 | -40.3 | -177.4 | -172.8 | -174 | -176 | 0 | 0 | 113 | E240 D241 I242 | E240-E244 PolarHBondContact O-N 3.16Å; D241-E244 PolarHBondContact O-N 3.1Å; I242-E244 VanDerWaalsContact C-N 3.26Å; I242-E244 PolarHBondContact O-N 2.84Å |
| 245 | K | 98.5 | Very high | 98.6 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -126.2 | -5 | -164.3 | -52.2 | 175.5 | -161.7 | 139.5 | 0 | 113.8 | D241 D257 | D241-K245 WeakPolarHBondContact O-CB 3.35Å; D241-K245 PolarHBondContact O-N 3Å; D241-K245 IonicContact OD1-NZ 3.44Å; D241-K245 PolarHBondContact OD1-NZ 3.07Å; K245-D257 WeakPolarHBondContact CD-OD1 3.17Å |
| 246 | G | 98.6 | Very high | 98.6 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 138 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I242 F255 | I242-G246 WeakPolarHBondContact O-CA 3.47Å; I242-G246 PolarHBondContact O-N 2.71Å; G246-F255 CarbonylContact C-O 3.56Å; G246-F255 WeakPolarHBondContact CA-O 3.1Å |
| 247 | S | 98.8 | Very high | 98.6 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 160.2 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | F255 | S247-F255 PolarHBondContact N-O 3.46Å; S247-F255 PolarHBondContact O-N 2.71Å |
| 248 | L | 98.8 | Very high | 98.5 | Very high | 42 Ų | 42 | 56.8 Ų | 56.8 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.3 | 173.1 | -59.1 | -176.2 | 0 | 0 | 0 | 109.5 | R252 R253 L254 L285 R288 S289 | L248-R252 HydrophobicContact CD1-CB 4.47Å; L248-R253 WeakPolarHBondContact CA-O 3.23Å; L248-L254 HydrophobicContact CD2-CB 4.18Å; L248-L254 HydrophobicContact CD2-CD1 3.97Å; L248-L285 HydrophobicContact CD1-CD1 4.17Å; L248-L285 HydrophobicContact CG-CD1 3.87Å; L248-L285 HydrophobicContact CG-CG 4.3Å; L248-R288 HydrophobicContact CD1-CB 4.14Å; L248-S289 VanDerWaalsContact CD2-CB 3.49Å |
| 249 | D | 98.5 | Very high | 98.5 | Very high | 45 Ų | 45 | 60.9 Ų | 60.9 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | trans | -81.2 | -172.3 | 168.7 | 80.4 | -9.1 | 0 | 0 | 0 | 112 | D251 R252 R253 F255 | D249-D251 PolarHBondContact O-N 3.27Å; D249-D251 WeakPolarHBondContact OD1-CA 3.44Å; D249-D251 PolarHBondContact OD1-N 3.48Å; D249-R252 PolarHBondContact O-N 2.73Å; D249-R252 PolarHBondContact OD1-N 2.93Å; D249-R253 PolarHBondContact N-O 3.02Å; D249-R253 VanDerWaalsContact N-O 3.1Å; D249-R253 WeakPolarHBondContact OD1-CB 3.18Å; D249-R253 PolarHBondContact OD1-N 3.02Å; D249-R253 IonicContact OD1-NE 2.76Å; D249-R253 IonicContact OD2-CZ 3.88Å; D249-R253 IonicContact OD2-NE 3.13Å; D249-R253 PolarHBondContact OD2-NE 3.23Å; D249-R253 IonicContact OD2-NH2 3.17Å; D249-R253 PolarHBondContact OD2-NH2 3.21Å; D249-F255 HydrophobicContact CB-CD2 4.46Å; D249-F255 HydrophobicContact CB-CE2 4.12Å | ||
| 250 | Q | 98 | Very high | 98.5 | Very high | 195 Ų | 195 | 62.3 Ų | 62.3 | 91% | 0.911 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.1 | -179.7 | -65 | 177.4 | 7.4 | 0 | 0 | 113.1 | R252 | Q250-R252 VanDerWaalsContact C-N 3.28Š|
| 251 | D | 97.9 | Very high | 98.5 | Very high | 106 Ų | 106 | 58 Ų | 58 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 9.9 | 178.1 | -61 | -44.1 | 0 | 0 | 0 | 111.9 | D249 R253 C290 | D249-D251 PolarHBondContact O-N 3.27Å; D249-D251 WeakPolarHBondContact OD1-CA 3.44Å; D249-D251 PolarHBondContact OD1-N 3.48Å; D251-R253 HydrophobicContact CB-CG 4.27Å; D251-R253 PolarHBondContact O-N 3.16Å; D251-R253 IonicContact OD2-NH2 2.78Å; D251-C290 PolarHBondContact O-SG 3.1Å |
| 252 | R | 98.6 | Very high | 98.5 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 21% | 0.211 | 30% | 0.296 | C | S | . | . | trans | 58.6 | 25.6 | -174.4 | -57.2 | -173.5 | -67.4 | 172.7 | -0.8 | 114.1 | E113 G114 A116 L248 D249 Q250 S289 C290 | E113-R252 WeakPolarHBondContact OE1-CD 3.04Å; E113-R252 IonicContact OE1-NH1 2.8Å; E113-R252 PolarHBondContact OE1-NH1 3.4Å; G114-R252 PolarHBondContact O-NH1 3.24Å; G114-R252 PolarHBondContact O-NH2 3.13Å; A116-R252 VanDerWaalsContact CA-NH2 3.27Å; A116-R252 HydrophobicContact CB-CB 4.36Å; L248-R252 HydrophobicContact CD1-CB 4.47Å; D249-R252 PolarHBondContact O-N 2.73Å; D249-R252 PolarHBondContact OD1-N 2.93Å; Q250-R252 VanDerWaalsContact C-N 3.28Å; R252-S289 CarbonylContact O-C 3.47Å; R252-S289 VanDerWaalsContact O-CA 3.26Å; R252-S289 WeakPolarHBondContact O-CA 3.32Å; R252-C290 PolarHBondContact O-N 2.94Å | ||
| 253 | R | 98.8 | Very high | 98.5 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | trans | -69.9 | 135.5 | 168.4 | -62.3 | -178.2 | -69.6 | 173.8 | -8.5 | 109.1 | L248 D249 D251 F255 E260 | L248-R253 WeakPolarHBondContact CA-O 3.23Å; D249-R253 PolarHBondContact N-O 3.02Å; D249-R253 VanDerWaalsContact N-O 3.1Å; D249-R253 WeakPolarHBondContact OD1-CB 3.18Å; D249-R253 PolarHBondContact OD1-N 3.02Å; D249-R253 IonicContact OD1-NE 2.76Å; D249-R253 IonicContact OD2-CZ 3.88Å; D249-R253 IonicContact OD2-NE 3.13Å; D249-R253 PolarHBondContact OD2-NE 3.23Å; D249-R253 IonicContact OD2-NH2 3.17Å; D249-R253 PolarHBondContact OD2-NH2 3.21Å; D251-R253 HydrophobicContact CB-CG 4.27Å; D251-R253 PolarHBondContact O-N 3.16Å; D251-R253 IonicContact OD2-NH2 2.78Å; R253-F255 HydrophobicContact CB-CE2 3.92Å; R253-E260 VanDerWaalsContact CD-OE1 3.31Å; R253-E260 WeakPolarHBondContact CD-OE1 3.36Å; R253-E260 IonicContact NH1-OE1 2.82Å | ||
| 254 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.1 | -177.3 | 177.3 | 63.1 | 0 | 0 | 0 | 110.1 | L207 L248 V256 E260 I261 V264 L286 A291 | L207-L254 HydrophobicContact CD2-CD2 4.12Å; L248-L254 HydrophobicContact CD2-CB 4.18Å; L248-L254 HydrophobicContact CD2-CD1 3.97Å; L254-V256 HydrophobicContact CD1-CG2 4.44Å; L254-V256 HydrophobicContact CG-CG2 4.43Å; L254-E260 CarbonylContact O-C 3.52Å; L254-E260 WeakPolarHBondContact O-CA 3.45Å; L254-I261 HydrophobicContact CB-CB 4.09Å; L254-I261 HydrophobicContact CB-CG1 4.48Å; L254-I261 HydrophobicContact CD2-CB 3.79Å; L254-I261 HydrophobicContact CD2-CG1 4.01Å; L254-I261 HydrophobicContact CD2-CG2 3.92Å; L254-I261 HydrophobicContact CG-CB 3.91Å; L254-I261 HydrophobicContact CG-CG1 3.88Å; L254-I261 PolarHBondContact O-N 2.89Å; L254-V264 HydrophobicContact CD2-CG2 3.75Å; L254-L286 HydrophobicContact CD1-CD2 4.29Å; L254-L286 HydrophobicContact CD2-CD2 3.51Å; L254-A291 HydrophobicContact CB-CB 4.44Å; L254-A291 HydrophobicContact CD2-CB 4.43Å |
| 255 | F | 98.9 | Very high | 98.6 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 21% | 0.211 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.2 | 170.7 | -70.6 | -95 | 0 | 0 | 0 | 110.4 | G246 S247 D249 R253 Q259 E260 | G246-F255 CarbonylContact C-O 3.56Å; G246-F255 WeakPolarHBondContact CA-O 3.1Å; S247-F255 PolarHBondContact N-O 3.46Å; S247-F255 PolarHBondContact O-N 2.71Å; D249-F255 HydrophobicContact CB-CD2 4.46Å; D249-F255 HydrophobicContact CB-CE2 4.12Å; R253-F255 HydrophobicContact CB-CE2 3.92Å; F255-Q259 VanDerWaalsContact CA-O 3.27Å; F255-Q259 WeakPolarHBondContact CA-O 3.44Å; F255-E260 HydrophobicContact CD1-CB 4.18Å; F255-E260 HydrophobicContact CE1-CB 3.7Å; F255-E260 HydrophobicContact CE1-CG 4.37Å; F255-E260 HydrophobicContact CZ-CB 4.06Å; F255-E260 HydrophobicContact CZ-CG 4.24Å |
| 256 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.5 | 170.9 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | L207 I235 R237 I242 L254 G258 Q259 I261 | L207-V256 HydrophobicContact CD2-CG2 4.1Å; I235-V256 HydrophobicContact CD1-CB 4.27Å; I235-V256 HydrophobicContact CD1-CG1 4.27Å; R237-V256 HydrophobicContact CG-CG1 4.22Å; I242-V256 HydrophobicContact CD1-CG1 4.18Å; I242-V256 HydrophobicContact CD1-CG2 3.72Å; L254-V256 HydrophobicContact CD1-CG2 4.44Å; L254-V256 HydrophobicContact CG-CG2 4.43Å; V256-G258 PolarHBondContact O-N 2.95Å; V256-Q259 PolarHBondContact N-O 2.75Å; V256-Q259 WeakPolarHBondContact O-CB 3.43Å; V256-Q259 PolarHBondContact O-N 2.94Å; V256-I261 HydrophobicContact CB-CD1 4.28Å; V256-I261 HydrophobicContact CB-CG1 4.34Å; V256-I261 HydrophobicContact CG2-CD1 4.36Å; V256-I261 HydrophobicContact CG2-CG1 3.95Å |
| 257 | D | 97.3 | Very high | 98.6 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 32.5 | -174 | -56.7 | -49.1 | 0 | 0 | 0 | 112.9 | R237 K245 Q259 | R237-D257 IonicContact CZ-OD2 2.89Å; R237-D257 VanDerWaalsContact CZ-OD2 3.29Å; R237-D257 IonicContact NE-OD2 2.77Å; R237-D257 PolarHBondContact NE-OD2 3.31Å; R237-D257 IonicContact NH2-OD2 2.68Å; R237-D257 PolarHBondContact NH2-OD2 3.03Å; K245-D257 WeakPolarHBondContact CD-OD1 3.17Å; D257-Q259 PolarHBondContact O-N 2.75Å |
| 258 | G | 97.5 | Very high | 98.6 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 62% | 0.619 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 6.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V256 | V256-G258 PolarHBondContact O-N 2.95Š|
| 259 | Q | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 38.8 Ų | 38.8 | 46% | 0.458 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.4 | 175.8 | -58.5 | -65.7 | -65.8 | 0 | 0 | 110.7 | L205 F255 V256 D257 | L205-Q259 HydrophobicContact CD1-CB 3.63Å; L205-Q259 HydrophobicContact CD1-CG 3.97Å; L205-Q259 HydrophobicContact CG-CB 4.3Å; F255-Q259 VanDerWaalsContact CA-O 3.27Å; F255-Q259 WeakPolarHBondContact CA-O 3.44Å; V256-Q259 PolarHBondContact N-O 2.75Å; V256-Q259 WeakPolarHBondContact O-CB 3.43Å; V256-Q259 PolarHBondContact O-N 2.94Å; D257-Q259 PolarHBondContact O-N 2.75Å |
| 260 | E | 98.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 139.6 | 177.3 | -172.8 | 178 | -151.3 | 0 | 0 | 110.8 | Y199 S201 A204 L205 R253 L254 F255 | Y199-E260 HydrophobicContact CE1-CG 4.34Å; Y199-E260 PolarHBondContact OH-OE1 3.02Å; S201-E260 WeakPolarHBondContact CB-OE2 3.24Å; S201-E260 PolarHBondContact OG-OE2 2.76Å; A204-E260 CarbonylContact C-O 3.54Å; A204-E260 WeakPolarHBondContact CA-O 3.2Å; A204-E260 HydrophobicContact CB-CB 4.17Å; A204-E260 HydrophobicContact CB-CG 4.08Å; L205-E260 PolarHBondContact N-O 3.04Å; R253-E260 VanDerWaalsContact CD-OE1 3.31Å; R253-E260 WeakPolarHBondContact CD-OE1 3.36Å; R253-E260 IonicContact NH1-OE1 2.82Å; L254-E260 CarbonylContact O-C 3.52Å; L254-E260 WeakPolarHBondContact O-CA 3.45Å; F255-E260 HydrophobicContact CD1-CB 4.18Å; F255-E260 HydrophobicContact CE1-CB 3.7Å; F255-E260 HydrophobicContact CE1-CG 4.37Å; F255-E260 HydrophobicContact CZ-CB 4.06Å; F255-E260 HydrophobicContact CZ-CG 4.24Å |
| 261 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.1 | -179 | -51.9 | -54.6 | 0 | 0 | 0 | 110 | L205 L207 I235 L254 V256 V263 V264 A291 | L205-I261 HydrophobicContact CB-CD1 4.05Å; L207-I261 HydrophobicContact CB-CD1 4.25Å; L207-I261 HydrophobicContact CB-CG1 4.39Å; L207-I261 HydrophobicContact CB-CG2 3.48Å; L207-I261 VanDerWaalsContact CB-CG2 3.48Å; L207-I261 HydrophobicContact CD2-CG2 4.32Å; I235-I261 HydrophobicContact CD1-CD1 3.9Å; I235-I261 HydrophobicContact CG1-CD1 4.48Å; L254-I261 HydrophobicContact CB-CB 4.09Å; L254-I261 HydrophobicContact CB-CG1 4.48Å; L254-I261 HydrophobicContact CD2-CB 3.79Å; L254-I261 HydrophobicContact CD2-CG1 4.01Å; L254-I261 HydrophobicContact CD2-CG2 3.92Å; L254-I261 HydrophobicContact CG-CB 3.91Å; L254-I261 HydrophobicContact CG-CG1 3.88Å; L254-I261 PolarHBondContact O-N 2.89Å; V256-I261 HydrophobicContact CB-CD1 4.28Å; V256-I261 HydrophobicContact CB-CG1 4.34Å; V256-I261 HydrophobicContact CG2-CD1 4.36Å; V256-I261 HydrophobicContact CG2-CG1 3.95Å; I261-V263 WeakPolarHBondContact CG2-O 3.34Å; I261-V264 HydrophobicContact CG2-CG2 4.13Å; I261-A291 HydrophobicContact CG2-CB 4.39Å; I261-A291 WeakPolarHBondContact O-CB 3.49Å |
| 262 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -37.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W196 Y199 A204 L205 A291 A292 | W196-A262 HydrophobicContact CG-CB 4.32Å; Y199-A262 HydrophobicContact CD1-CB 3.38Å; Y199-A262 HydrophobicContact CD2-CB 4.31Å; Y199-A262 HydrophobicContact CE1-CB 3.98Å; Y199-A262 HydrophobicContact CG-CB 3.58Å; A204-A262 HydrophobicContact CB-CB 3.74Å; L205-A262 PolarHBondContact O-N 3.21Å; A262-A291 CarbonylContact O-C 3.59Å; A262-A291 WeakPolarHBondContact O-CA 3.4Å; A262-A292 PolarHBondContact O-N 2.92Å |
| 263 | V | 99 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 133.9 | -176.6 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | L121 I192 A195 W196 V206 L207 I261 A292 | L121-V263 HydrophobicContact CD1-CG1 4.28Å; L121-V263 HydrophobicContact CD2-CG1 4.23Å; I192-V263 HydrophobicContact CG2-CB 4.49Å; I192-V263 HydrophobicContact CG2-CG1 4.25Å; A195-V263 HydrophobicContact CB-CG2 4Å; W196-V263 HydrophobicContact CB-CG2 4.05Å; V206-V263 HydrophobicContact CG1-CB 4.43Å; V206-V263 HydrophobicContact CG2-CB 4.26Å; L207-V263 PolarHBondContact N-O 3.38Å; I261-V263 WeakPolarHBondContact CG2-O 3.34Å; V263-A292 CarbonylContact C-O 3.49Å; V263-A292 VanDerWaalsContact CA-O 3.28Å; V263-A292 WeakPolarHBondContact CA-O 3.43Å; V263-A292 HydrophobicContact CG2-CB 4.4Å |
| 264 | V | 99 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 111.4 | 170.8 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | L207 I209 L254 I261 F266 L286 A291 A292 K293 C294 | L207-V264 HydrophobicContact CD2-CG1 4.33Å; L207-V264 HydrophobicContact CD2-CG2 4.26Å; L207-V264 CarbonylContact O-C 3.6Å; L207-V264 WeakPolarHBondContact O-CA 3.47Å; I209-V264 HydrophobicContact CG1-CG1 3.89Å; L254-V264 HydrophobicContact CD2-CG2 3.75Å; I261-V264 HydrophobicContact CG2-CG2 4.13Å; V264-F266 HydrophobicContact CB-CE2 4.42Å; V264-F266 HydrophobicContact CB-CZ 4.42Å; V264-F266 HydrophobicContact CG1-CD1 4.41Å; V264-F266 HydrophobicContact CG1-CD2 4.41Å; V264-F266 HydrophobicContact CG1-CE1 3.82Å; V264-F266 HydrophobicContact CG1-CE2 3.84Å; V264-F266 HydrophobicContact CG1-CZ 3.51Å; V264-L286 HydrophobicContact CG1-CD1 4.18Å; V264-L286 HydrophobicContact CG1-CD2 4.21Å; V264-L286 HydrophobicContact CG2-CD2 4.13Å; V264-A291 HydrophobicContact CG2-CB 3.96Å; V264-A292 PolarHBondContact N-O 3.32Å; V264-K293 HydrophobicContact CB-CG 4.21Å; V264-K293 HydrophobicContact CG2-CD 4.49Å; V264-C294 PolarHBondContact O-N 3Å |
| 265 | Y | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 110.7 | 179.5 | 177.4 | -143.6 | 0 | 0 | 0 | 110.9 | L123 I192 L207 L208 I209 I223 R267 C294 | L123-Y265 HydrophobicContact CD1-CD2 4.47Å; L123-Y265 HydrophobicContact CD1-CE2 4Å; I192-Y265 HydrophobicContact CD1-CD1 3.87Å; I192-Y265 HydrophobicContact CD1-CD2 4.4Å; I192-Y265 HydrophobicContact CD1-CE1 4.2Å; I192-Y265 HydrophobicContact CD1-CG 3.99Å; L207-Y265 PolarHBondContact O-N 3.26Å; L208-Y265 WeakPolarHBondContact CA-O 3.37Å; L208-Y265 HydrophobicContact CD1-CD1 3.88Å; L208-Y265 HydrophobicContact CD1-CE1 4.16Å; L208-Y265 HydrophobicContact CG-CD1 3.94Å; I209-Y265 PolarHBondContact N-O 3.07Å; I223-Y265 HydrophobicContact CG2-CE1 4.41Å; Y265-R267 HydrophobicContact CD1-CG 4.44Å; Y265-R267 HydrophobicContact CE1-CG 4.01Å; Y265-R267 PolarHBondContact O-N 3.37Å; Y265-R267 WeakPolarHBondContact OH-CD 3.49Å; Y265-C294 HydrophobicContact CD2-CB 4.14Å |
| 266 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 117.1 | -177.1 | -62.8 | -79.2 | 0 | 0 | 0 | 111.6 | I148 S149 I209 F239 V264 L286 K293 C294 P295 | I148-F266 HydrophobicContact CD1-CB 4.25Å; I148-F266 HydrophobicContact CG1-CB 4.31Å; S149-F266 WeakPolarHBondContact CA-O 3.21Å; I209-F266 HydrophobicContact CB-CD1 3.95Å; I209-F266 HydrophobicContact CB-CE1 4.46Å; I209-F266 HydrophobicContact CG1-CD1 3.99Å; I209-F266 HydrophobicContact CG1-CE1 4.03Å; I209-F266 HydrophobicContact CG2-CD1 4.25Å; F239-F266 HydrophobicContact CE1-CD1 4.49Å; F239-F266 HydrophobicContact CE1-CE1 4.08Å; F239-F266 HydrophobicContact CZ-CD1 4.16Å; F239-F266 HydrophobicContact CZ-CE1 4.16Å; V264-F266 HydrophobicContact CB-CE2 4.42Å; V264-F266 HydrophobicContact CB-CZ 4.42Å; V264-F266 HydrophobicContact CG1-CD1 4.41Å; V264-F266 HydrophobicContact CG1-CD2 4.41Å; V264-F266 HydrophobicContact CG1-CE1 3.82Å; V264-F266 HydrophobicContact CG1-CE2 3.84Å; V264-F266 HydrophobicContact CG1-CZ 3.51Å; F266-L286 HydrophobicContact CE1-CD1 3.77Å; F266-L286 HydrophobicContact CZ-CB 4.38Å; F266-L286 HydrophobicContact CZ-CD1 4.09Å; F266-K293 HydrophobicContact CE2-CB 4.06Å; F266-K293 HydrophobicContact CE2-CG 3.81Å; F266-K293 HydrophobicContact CZ-CG 4.23Å; F266-C294 PolarHBondContact N-O 3.35Å; F266-P295 WeakPolarHBondContact CD2-O 3.11Å; F266-P295 VanDerWaalsContact CE2-O 3.31Å; F266-P295 WeakPolarHBondContact CE2-O 3.3Å |
| 267 | R | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -106.3 | 1.3 | 163.7 | -66.9 | -62.9 | -56.8 | -107.3 | -3.1 | 112.8 | S149 S151 L208 I209 A210 D219 Q220 Y265 | S149-R267 VanDerWaalsContact OG-C 3.32Å; S149-R267 VanDerWaalsContact OG-CA 3.28Å; S149-R267 WeakPolarHBondContact OG-CA 3.39Å; S149-R267 PolarHBondContact OG-O 3.18Å; S151-R267 PolarHBondContact OG-NH2 3.35Å; L208-R267 HydrophobicContact CD1-CG 4.41Å; L208-R267 HydrophobicContact CD2-CB 4.06Å; L208-R267 HydrophobicContact CD2-CG 3.85Å; L208-R267 HydrophobicContact CG-CG 4.13Å; I209-R267 CarbonylContact O-C 3.57Å; I209-R267 VanDerWaalsContact O-CA 3.31Å; I209-R267 WeakPolarHBondContact O-CA 3.47Å; I209-R267 WeakPolarHBondContact O-CB 3.48Å; I209-R267 PolarHBondContact O-N 3.02Å; A210-R267 HydrophobicContact CB-CB 4.33Å; D219-R267 IonicContact OD2-CZ 2.85Å; D219-R267 IonicContact OD2-NH1 2.98Å; D219-R267 PolarHBondContact OD2-NH1 2.87Å; D219-R267 IonicContact OD2-NH2 2.77Å; D219-R267 PolarHBondContact OD2-NH2 3.22Å; Q220-R267 HydrophobicContact CG-CG 3.96Å; Y265-R267 HydrophobicContact CD1-CG 4.44Å; Y265-R267 HydrophobicContact CE1-CG 4.01Å; Y265-R267 PolarHBondContact O-N 3.37Å; Y265-R267 WeakPolarHBondContact OH-CD 3.49Å |
| 268 | D | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -134.5 | 173.2 | 177.1 | -165.1 | 35 | 0 | 0 | 0 | 111 | I209 Q211 F239 Q274 | I209-D268 HydrophobicContact CG2-CB 4.25Å; I209-D268 PolarHBondContact O-N 2.9Å; Q211-D268 HydrophobicContact CG-CB 4.5Å; Q211-D268 WeakPolarHBondContact CG-OD1 3.32Å; Q211-D268 WeakPolarHBondContact CG-OD2 3.44Å; Q211-D268 PolarHBondContact NE2-OD1 3.29Å; F239-D268 HydrophobicContact CE2-CB 4.24Å; D268-Q274 WeakPolarHBondContact OD1-CG 3.37Å; D268-Q274 PolarHBondContact OD1-NE2 3.18Å; D268-Q274 PolarHBondContact OD1-OE1 2.99Å |
| 269 | G | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | 87.7 | 27.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q274 Y275 Q300 | G269-Q274 VanDerWaalsContact N-OE1 3.09Å; G269-Y275 VanDerWaalsContact CA-CE2 3.44Å; G269-Y275 VanDerWaalsContact CA-OH 3.25Å; G269-Y275 WeakPolarHBondContact CA-OH 3.28Å; G269-Y275 WeakPolarHBondContact O-CE2 3.46Å; G269-Y275 PolarHBondContact O-OH 3.35Å; G269-Q300 PolarHBondContact O-NE2 2.88Å | ||
| 270 | Y | 97.9 | Very high | 98.4 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 15% | 0.153 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -109.9 | -2.5 | 177.8 | 56.5 | -91.2 | 0 | 0 | 0 | 113.3 | E368 | Y270-E368 HydrophobicContact CD2-CB 3.97Å; Y270-E368 HydrophobicContact CG-CB 4.49Å |
| 271 | M | 97.5 | Very high | 98.4 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -132.5 | 148.6 | 176.6 | -74.3 | -64.7 | -80.5 | 0 | 0 | 111.8 | R273 Q274 R367 N372 | M271-R273 VanDerWaalsContact C-N 3.26Å; M271-R273 HydrophobicContact CB-CG 4.11Å; M271-R273 PolarHBondContact O-N 2.88Å; M271-Q274 HydrophobicContact CB-CG 4.48Å; M271-Q274 WeakPolarHBondContact O-CB 3.43Å; M271-Q274 PolarHBondContact O-N 3.3Å; M271-Q274 VanDerWaalsContact O-N 3.1Å; M271-Q274 PolarHBondContact O-OE1 2.74Å; M271-R367 HydrophobicContact CE-CB 4.28Å; M271-R367 HydrophobicContact CE-CG 4.39Å; M271-R367 HydrophobicContact SD-CB 3.82Å; M271-R367 HydrophobicContact SD-CG 4.27Å; M271-N372 WeakPolarHBondContact CE-OD1 3.43Å |
| 272 | P | 97.3 | Very high | 98.4 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 31% | 0.305 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -58 | -37.4 | -178.4 | -16.2 | 22.1 | 0 | 0 | 0 | 113.3 | F99 Q274 Y275 | F99-P272 HydrophobicContact CB-CB 4.3Å; F99-P272 HydrophobicContact CB-CG 3.81Å; F99-P272 HydrophobicContact CD1-CG 4.29Å; F99-P272 HydrophobicContact CD2-CB 3.96Å; F99-P272 HydrophobicContact CD2-CG 3.87Å; F99-P272 HydrophobicContact CG-CB 4.26Å; F99-P272 HydrophobicContact CG-CG 3.72Å; P272-Q274 PolarHBondContact O-N 2.81Å; P272-Y275 PolarHBondContact O-N 2.85Å |
| 273 | R | 97 | Very high | 98.4 | Very high | 180 Ų | 180 | 36.4 Ų | 36.4 | 68% | 0.679 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -61.9 | -11 | -179.8 | 68.3 | -177.3 | 176.5 | 85.7 | -1.8 | 114.9 | M271 | M271-R273 VanDerWaalsContact C-N 3.26Å; M271-R273 HydrophobicContact CB-CG 4.11Å; M271-R273 PolarHBondContact O-N 2.88Å |
| 274 | Q | 98.1 | Very high | 98.4 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -91.6 | -4.1 | 178.4 | -64.7 | 161.6 | -29.7 | 0 | 0 | 111.9 | Q211 D268 G269 M271 P272 N279 | Q211-Q274 VanDerWaalsContact NE2-NE2 3.11Å; D268-Q274 WeakPolarHBondContact OD1-CG 3.37Å; D268-Q274 PolarHBondContact OD1-NE2 3.18Å; D268-Q274 PolarHBondContact OD1-OE1 2.99Å; G269-Q274 VanDerWaalsContact N-OE1 3.09Å; M271-Q274 HydrophobicContact CB-CG 4.48Å; M271-Q274 WeakPolarHBondContact O-CB 3.43Å; M271-Q274 PolarHBondContact O-N 3.3Å; M271-Q274 VanDerWaalsContact O-N 3.1Å; M271-Q274 PolarHBondContact O-OE1 2.74Å; P272-Q274 PolarHBondContact O-N 2.81Å; Q274-N279 PolarHBondContact O-ND2 2.79Å |
| 275 | Y | 98.5 | Very high | 98.4 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | trans | -116.4 | 110.4 | -175.1 | -74.1 | -77.9 | 0 | 0 | 0 | 112.8 | F99 F239 G269 P272 N279 W280 R283 | F99-Y275 AromaticContact CE2-CD2 3.87Å; F99-Y275 HydrophobicContact CE2-CD2 3.87Å; F99-Y275 AromaticContact CE2-CE2 3.9Å; F99-Y275 HydrophobicContact CE2-CE2 3.9Å; F239-Y275 HydrophobicContact CE1-CE1 4.46Å; F239-Y275 HydrophobicContact CE2-CE1 4.1Å; F239-Y275 HydrophobicContact CZ-CE1 4.08Å; G269-Y275 VanDerWaalsContact CA-CE2 3.44Å; G269-Y275 VanDerWaalsContact CA-OH 3.25Å; G269-Y275 WeakPolarHBondContact CA-OH 3.28Å; G269-Y275 WeakPolarHBondContact O-CE2 3.46Å; G269-Y275 PolarHBondContact O-OH 3.35Å; P272-Y275 PolarHBondContact O-N 2.85Å; Y275-N279 HydrophobicContact CD1-CB 3.78Å; Y275-N279 HydrophobicContact CE1-CB 4.46Å; Y275-W280 VanDerWaalsContact CB-NE1 3.31Å; Y275-W280 AromaticContact CD1-CD2 3.69Å; Y275-W280 HydrophobicContact CD1-CD2 3.69Å; Y275-W280 AromaticContact CD1-CE2 3.85Å; Y275-W280 AromaticContact CD1-CE3 3.95Å; Y275-W280 HydrophobicContact CD1-CE3 3.95Å; Y275-W280 HydrophobicContact CD1-CG 4.03Å; Y275-W280 HydrophobicContact CD1-CZ2 4.26Å; Y275-W280 HydrophobicContact CD1-CZ3 4.36Å; Y275-W280 HydrophobicContact CD2-CH2 4.07Å; Y275-W280 AromaticContact CD2-CZ2 3.82Å; Y275-W280 HydrophobicContact CD2-CZ2 3.82Å; Y275-W280 HydrophobicContact CE1-CD2 4.26Å; Y275-W280 HydrophobicContact CE1-CE3 4.04Å; Y275-W280 HydrophobicContact CE1-CZ3 4.24Å; Y275-W280 HydrophobicContact CE2-CH2 4.13Å; Y275-W280 HydrophobicContact CE2-CZ2 4.36Å; Y275-W280 HydrophobicContact CE2-CZ3 4.42Å; Y275-W280 AromaticContact CG-CD2 3.96Å; Y275-W280 HydrophobicContact CG-CD2 3.96Å; Y275-W280 AromaticContact CG-CE2 3.59Å; Y275-W280 HydrophobicContact CG-CE3 4.4Å; Y275-W280 HydrophobicContact CG-CG 4.44Å; Y275-W280 HydrophobicContact CG-CH2 4.25Å; Y275-W280 AromaticContact CG-CZ2 3.76Å; Y275-W280 HydrophobicContact CG-CZ2 3.76Å; Y275-W280 AromaticContact CG-NE1 3.88Å; Y275-R283 HydrophobicContact CE1-CB 3.92Å; Y275-R283 HydrophobicContact CE1-CG 4.35Å; Y275-R283 PolarHBondContact OH-NH1 3.49Å | ||
| 276 | S | 98.3 | Very high | 98.4 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 35% | 0.35 | 19% | 0.188 | S | C | . | . | trans | -76.8 | 174.4 | 152.2 | 77 | 0 | 0 | 0 | 0 | 110.5 | Q278 N279 W280 | S276-Q278 VanDerWaalsContact C-N 3.31Å; S276-Q278 PolarHBondContact O-N 2.89Å; S276-Q278 PolarHBondContact OG-N 2.95Å; S276-N279 PolarHBondContact O-N 2.81Å; S276-N279 PolarHBondContact OG-N 2.8Å; S276-N279 PolarHBondContact OG-OD1 3.06Å; S276-W280 VanDerWaalsContact O-CD1 3.23Å; S276-W280 PolarHBondContact O-N 3.09Å | ||
| 277 | L | 97.2 | Very high | 98.4 | Very high | 117 Ų | 117 | 39.6 Ų | 39.6 | 61% | 0.613 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.7 | -42.6 | 172.1 | -175.3 | 64.7 | 0 | 0 | 0 | 111.7 | N279 W280 E281 | L277-N279 VanDerWaalsContact C-N 3.3Å; L277-N279 PolarHBondContact O-N 3.12Å; L277-W280 WeakPolarHBondContact O-CB 3.47Å; L277-W280 PolarHBondContact O-N 2.85Å; L277-E281 PolarHBondContact O-N 2.9Å |
| 278 | Q | 98.1 | Very high | 98.4 | Very high | 117 Ų | 117 | 43.1 Ų | 43.1 | 55% | 0.547 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.1 | -33.7 | 177.4 | -68 | 177.6 | 5.6 | 0 | 0 | 112 | S243 S276 W280 E281 A282 | S243-Q278 PolarHBondContact OG-O 3.44Å; S243-Q278 VanDerWaalsContact OG-O 3.07Å; S276-Q278 VanDerWaalsContact C-N 3.31Å; S276-Q278 PolarHBondContact O-N 2.89Å; S276-Q278 PolarHBondContact OG-N 2.95Å; Q278-W280 VanDerWaalsContact C-N 3.29Å; Q278-W280 PolarHBondContact O-N 3.28Å; Q278-E281 WeakPolarHBondContact O-CB 3.41Å; Q278-E281 PolarHBondContact O-N 3.42Å; Q278-A282 PolarHBondContact O-N 3.45Å |
| 279 | N | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.4 | -32 | 177.3 | -63.4 | 5.1 | 0 | 0 | 0 | 111.3 | F239 E240 Q274 Y275 S276 L277 R283 | F239-N279 HydrophobicContact CB-CB 3.69Å; F239-N279 VanDerWaalsContact CB-CG 3.48Å; F239-N279 HydrophobicContact CD2-CB 4.41Å; F239-N279 HydrophobicContact CG-CB 4.11Å; E240-N279 PolarHBondContact OE1-ND2 3.07Å; E240-N279 PolarHBondContact OE1-OD1 3.31Å; Q274-N279 PolarHBondContact O-ND2 2.79Å; Y275-N279 HydrophobicContact CD1-CB 3.78Å; Y275-N279 HydrophobicContact CE1-CB 4.46Å; S276-N279 PolarHBondContact O-N 2.81Å; S276-N279 PolarHBondContact OG-N 2.8Å; S276-N279 PolarHBondContact OG-OD1 3.06Å; L277-N279 VanDerWaalsContact C-N 3.3Å; L277-N279 PolarHBondContact O-N 3.12Å; N279-R283 WeakPolarHBondContact O-CB 3.34Å; N279-R283 PolarHBondContact O-N 3.34Å |
| 280 | W | 98.8 | Very high | 98.4 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 10% | 0.095 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 171 | -77.9 | 115.3 | 0 | 0 | 0 | 111.7 | F99 R102 L103 I106 Y275 S276 L277 Q278 R283 L284 | F99-W280 AromaticContact CD2-CH2 3.91Å; F99-W280 HydrophobicContact CD2-CH2 3.91Å; F99-W280 AromaticContact CD2-CZ2 3.81Å; F99-W280 HydrophobicContact CD2-CZ2 3.81Å; F99-W280 AromaticContact CE2-CH2 3.88Å; F99-W280 HydrophobicContact CE2-CH2 3.88Å; F99-W280 HydrophobicContact CE2-CZ2 4.06Å; R102-W280 HydrophobicContact CB-CD2 4.07Å; R102-W280 HydrophobicContact CB-CE3 4.03Å; R102-W280 HydrophobicContact CB-CH2 3.53Å; R102-W280 HydrophobicContact CB-CZ2 3.56Å; R102-W280 HydrophobicContact CB-CZ3 3.76Å; R102-W280 HydrophobicContact CG-CZ2 4.24Å; R102-W280 VanDerWaalsContact NH1-CD1 3.33Å; L103-W280 HydrophobicContact CD2-CH2 3.85Å; L103-W280 HydrophobicContact CD2-CZ3 3.82Å; L103-W280 HydrophobicContact CG-CH2 4Å; L103-W280 HydrophobicContact CG-CZ3 4.29Å; I106-W280 HydrophobicContact CD1-CE3 3.68Å; I106-W280 HydrophobicContact CD1-CZ3 4.01Å; Y275-W280 VanDerWaalsContact CB-NE1 3.31Å; Y275-W280 AromaticContact CD1-CD2 3.69Å; Y275-W280 HydrophobicContact CD1-CD2 3.69Å; Y275-W280 AromaticContact CD1-CE2 3.85Å; Y275-W280 AromaticContact CD1-CE3 3.95Å; Y275-W280 HydrophobicContact CD1-CE3 3.95Å; Y275-W280 HydrophobicContact CD1-CG 4.03Å; Y275-W280 HydrophobicContact CD1-CZ2 4.26Å; Y275-W280 HydrophobicContact CD1-CZ3 4.36Å; Y275-W280 HydrophobicContact CD2-CH2 4.07Å; Y275-W280 AromaticContact CD2-CZ2 3.82Å; Y275-W280 HydrophobicContact CD2-CZ2 3.82Å; Y275-W280 HydrophobicContact CE1-CD2 4.26Å; Y275-W280 HydrophobicContact CE1-CE3 4.04Å; Y275-W280 HydrophobicContact CE1-CZ3 4.24Å; Y275-W280 HydrophobicContact CE2-CH2 4.13Å; Y275-W280 HydrophobicContact CE2-CZ2 4.36Å; Y275-W280 HydrophobicContact CE2-CZ3 4.42Å; Y275-W280 AromaticContact CG-CD2 3.96Å; Y275-W280 HydrophobicContact CG-CD2 3.96Å; Y275-W280 AromaticContact CG-CE2 3.59Å; Y275-W280 HydrophobicContact CG-CE3 4.4Å; Y275-W280 HydrophobicContact CG-CG 4.44Å; Y275-W280 HydrophobicContact CG-CH2 4.25Å; Y275-W280 AromaticContact CG-CZ2 3.76Å; Y275-W280 HydrophobicContact CG-CZ2 3.76Å; Y275-W280 AromaticContact CG-NE1 3.88Å; S276-W280 VanDerWaalsContact O-CD1 3.23Å; S276-W280 PolarHBondContact O-N 3.09Å; L277-W280 WeakPolarHBondContact O-CB 3.47Å; L277-W280 PolarHBondContact O-N 2.85Å; Q278-W280 VanDerWaalsContact C-N 3.29Å; Q278-W280 PolarHBondContact O-N 3.28Å; W280-R283 PolarHBondContact O-N 3.15Å; W280-L284 PolarHBondContact O-N 3.21Å |
| 281 | E | 98.8 | Very high | 98.4 | Very high | 114 Ų | 114 | 42.3 Ų | 42.3 | 53% | 0.533 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.7 | -43 | 175.2 | -65.2 | 168.2 | 176.9 | 0 | 0 | 111.6 | L277 Q278 L284 L285 | L277-E281 PolarHBondContact O-N 2.9Å; Q278-E281 WeakPolarHBondContact O-CB 3.41Å; Q278-E281 PolarHBondContact O-N 3.42Å; E281-L284 PolarHBondContact O-N 2.8Å; E281-L285 WeakPolarHBondContact O-CB 3.44Å; E281-L285 PolarHBondContact O-N 3.44Å |
| 282 | A | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F239 I242 S243 Q278 L284 L285 L286 | F239-A282 HydrophobicContact CB-CB 4.32Å; F239-A282 HydrophobicContact CD1-CB 4.08Å; F239-A282 WeakPolarHBondContact O-CB 3.49Å; I242-A282 HydrophobicContact CB-CB 3.98Å; I242-A282 HydrophobicContact CG2-CB 3.89Å; S243-A282 WeakPolarHBondContact OG-CB 3.38Å; Q278-A282 PolarHBondContact O-N 3.45Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.01Å; A282-L285 WeakPolarHBondContact O-CB 3.24Å; A282-L285 PolarHBondContact O-N 3.29Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.49Å; A282-L286 PolarHBondContact O-N 3.38Å |
| 283 | R | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 176 | 180 | 59.8 | -175.2 | -78.3 | 5.5 | 111.3 | I106 F239 Y275 N279 W280 L286 E287 I297 | I106-R283 HydrophobicContact CD1-CB 4.06Å; I106-R283 HydrophobicContact CD1-CG 3.76Å; F239-R283 HydrophobicContact CE1-CB 4.06Å; Y275-R283 HydrophobicContact CE1-CB 3.92Å; Y275-R283 HydrophobicContact CE1-CG 4.35Å; Y275-R283 PolarHBondContact OH-NH1 3.49Å; N279-R283 WeakPolarHBondContact O-CB 3.34Å; N279-R283 PolarHBondContact O-N 3.34Å; W280-R283 PolarHBondContact O-N 3.15Å; R283-L286 PolarHBondContact O-N 2.9Å; R283-E287 HydrophobicContact CG-CG 4.46Å; R283-E287 IonicContact CZ-OE1 3.12Å; R283-E287 VanDerWaalsContact CZ-OE1 3.26Å; R283-E287 IonicContact NE-OE1 2.8Å; R283-E287 PolarHBondContact NE-OE1 3.47Å; R283-E287 IonicContact NH2-OE1 3.36Å; R283-E287 PolarHBondContact NH2-OE1 3.37Å; R283-E287 VanDerWaalsContact O-CG 3.26Å; R283-E287 WeakPolarHBondContact O-CG 3.21Å; R283-E287 PolarHBondContact O-N 2.92Å; R283-I297 VanDerWaalsContact CZ-CD1 3.47Å; R283-I297 VanDerWaalsContact NH2-CD1 3.27Å |
| 284 | L | 98.9 | Very high | 98.7 | Very high | 30 Ų | 30 | 30.6 Ų | 30.6 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.3 | 177.7 | 61.7 | 0 | 0 | 0 | 111.8 | I106 Q109 V110 W280 E281 A282 L286 E287 R288 | I106-L284 HydrophobicContact CB-CD1 4.44Å; I106-L284 HydrophobicContact CD1-CB 4.2Å; I106-L284 HydrophobicContact CG1-CB 4.23Å; I106-L284 HydrophobicContact CG1-CD1 4.28Å; I106-L284 HydrophobicContact CG2-CD1 3.99Å; Q109-L284 HydrophobicContact CB-CD1 4.12Å; V110-L284 HydrophobicContact CG2-CD1 4.49Å; W280-L284 PolarHBondContact O-N 3.21Å; E281-L284 PolarHBondContact O-N 2.8Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.01Å; L284-L286 VanDerWaalsContact C-N 3.33Å; L284-L286 PolarHBondContact O-N 3.35Å; L284-E287 PolarHBondContact O-N 3.31Å; L284-R288 HydrophobicContact CD1-CG 3.91Å; L284-R288 HydrophobicContact CG-CG 4.3Å; L284-R288 WeakPolarHBondContact O-CB 3.43Å; L284-R288 WeakPolarHBondContact O-CG 3.27Å; L284-R288 PolarHBondContact O-N 3.46Å |
| 285 | L | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 19% | 0.194 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.1 | -47.7 | 175.4 | -175 | 85.6 | 0 | 0 | 0 | 111.4 | I242 L248 E281 A282 R288 S289 | I242-L285 HydrophobicContact CG2-CD2 3.88Å; L248-L285 HydrophobicContact CD1-CD1 4.17Å; L248-L285 HydrophobicContact CG-CD1 3.87Å; L248-L285 HydrophobicContact CG-CG 4.3Å; E281-L285 WeakPolarHBondContact O-CB 3.44Å; E281-L285 PolarHBondContact O-N 3.44Å; A282-L285 WeakPolarHBondContact O-CB 3.24Å; A282-L285 PolarHBondContact O-N 3.29Å; L285-R288 PolarHBondContact O-N 3.33Å; L285-S289 PolarHBondContact O-N 3.4Å |
| 286 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 178.3 | -64.5 | 168.7 | 0 | 0 | 0 | 111.1 | L207 I209 F239 I242 L254 V264 F266 A282 R283 L284 R288 S289 K293 | L207-L286 HydrophobicContact CD2-CD2 3.83Å; I209-L286 HydrophobicContact CD1-CD1 4.11Å; I209-L286 HydrophobicContact CG1-CD1 4.16Å; F239-L286 HydrophobicContact CD1-CD1 4.34Å; F239-L286 HydrophobicContact CE1-CD1 4Å; I242-L286 HydrophobicContact CG1-CD1 4.48Å; I242-L286 HydrophobicContact CG1-CD2 4.42Å; I242-L286 HydrophobicContact CG2-CD1 4.38Å; I242-L286 HydrophobicContact CG2-CD2 3.92Å; I242-L286 HydrophobicContact CG2-CG 4.03Å; L254-L286 HydrophobicContact CD1-CD2 4.29Å; L254-L286 HydrophobicContact CD2-CD2 3.51Å; V264-L286 HydrophobicContact CG1-CD1 4.18Å; V264-L286 HydrophobicContact CG1-CD2 4.21Å; V264-L286 HydrophobicContact CG2-CD2 4.13Å; F266-L286 HydrophobicContact CE1-CD1 3.77Å; F266-L286 HydrophobicContact CZ-CB 4.38Å; F266-L286 HydrophobicContact CZ-CD1 4.09Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.49Å; A282-L286 PolarHBondContact O-N 3.38Å; R283-L286 PolarHBondContact O-N 2.9Å; L284-L286 VanDerWaalsContact C-N 3.33Å; L284-L286 PolarHBondContact O-N 3.35Å; L286-R288 VanDerWaalsContact C-N 3.33Å; L286-R288 PolarHBondContact O-N 3.29Å; L286-S289 WeakPolarHBondContact O-CB 3.37Å; L286-S289 PolarHBondContact O-N 3.19Å; L286-S289 VanDerWaalsContact O-N 3.15Å; L286-S289 PolarHBondContact O-OG 3.06Å; L286-K293 WeakPolarHBondContact O-CD 3.31Å |
| 287 | E | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 2% | 0.023 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.7 | -33.4 | -177.2 | -66.2 | -69.1 | 172 | 0 | 0 | 113 | I106 V110 R283 L284 S289 K293 I297 | I106-E287 HydrophobicContact CG2-CB 3.99Å; I106-E287 HydrophobicContact CG2-CG 3.9Å; V110-E287 HydrophobicContact CG2-CB 3.82Å; R283-E287 HydrophobicContact CG-CG 4.46Å; R283-E287 IonicContact CZ-OE1 3.12Å; R283-E287 VanDerWaalsContact CZ-OE1 3.26Å; R283-E287 IonicContact NE-OE1 2.8Å; R283-E287 PolarHBondContact NE-OE1 3.47Å; R283-E287 IonicContact NH2-OE1 3.36Å; R283-E287 PolarHBondContact NH2-OE1 3.37Å; R283-E287 VanDerWaalsContact O-CG 3.26Å; R283-E287 WeakPolarHBondContact O-CG 3.21Å; R283-E287 PolarHBondContact O-N 2.92Å; L284-E287 PolarHBondContact O-N 3.31Å; E287-S289 PolarHBondContact O-N 2.89Å; E287-K293 PolarHBondContact O-NZ 2.87Å; E287-I297 VanDerWaalsContact CD-N 3.35Å; E287-I297 HydrophobicContact CG-CB 4.08Å; E287-I297 PolarHBondContact OE1-N 3.47Å; E287-I297 VanDerWaalsContact OE1-N 3.15Å; E287-I297 PolarHBondContact OE2-N 2.99Å; E287-I297 VanDerWaalsContact OE2-N 3.1Å |
| 288 | R | 98.9 | Very high | 98.8 | Very high | 78 Ų | 78 | 22.1 Ų | 22.1 | 29% | 0.294 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -71.5 | -13.9 | 175.3 | -68.9 | 170.3 | 67.3 | -137 | -10.3 | 113.8 | V110 E113 A116 L248 L284 L285 L286 | V110-R288 HydrophobicContact CG2-CG 4.3Å; E113-R288 IonicContact OE1-CZ 3.21Å; E113-R288 IonicContact OE1-NE 3.27Å; E113-R288 IonicContact OE1-NH2 2.84Å; E113-R288 PolarHBondContact OE1-NH2 3.42Å; E113-R288 IonicContact OE2-CZ 2.89Å; E113-R288 IonicContact OE2-NE 3.93Å; E113-R288 PolarHBondContact OE2-NE 3.41Å; E113-R288 IonicContact OE2-NH2 3.97Å; E113-R288 PolarHBondContact OE2-NH2 2.95Å; A116-R288 VanDerWaalsContact CB-O 3.26Å; A116-R288 WeakPolarHBondContact CB-O 3.43Å; L248-R288 HydrophobicContact CD1-CB 4.14Å; L284-R288 HydrophobicContact CD1-CG 3.91Å; L284-R288 HydrophobicContact CG-CG 4.3Å; L284-R288 WeakPolarHBondContact O-CB 3.43Å; L284-R288 WeakPolarHBondContact O-CG 3.27Å; L284-R288 PolarHBondContact O-N 3.46Å; L285-R288 PolarHBondContact O-N 3.33Å; L286-R288 VanDerWaalsContact C-N 3.33Å; L286-R288 PolarHBondContact O-N 3.29Å |
| 289 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -79.6 | 161.1 | -176.6 | 78.3 | 0 | 0 | 0 | 0 | 114.4 | L248 R252 L285 L286 E287 A291 K293 | L248-S289 VanDerWaalsContact CD2-CB 3.49Å; R252-S289 CarbonylContact O-C 3.47Å; R252-S289 VanDerWaalsContact O-CA 3.26Å; R252-S289 WeakPolarHBondContact O-CA 3.32Å; L285-S289 PolarHBondContact O-N 3.4Å; L286-S289 WeakPolarHBondContact O-CB 3.37Å; L286-S289 PolarHBondContact O-N 3.19Å; L286-S289 VanDerWaalsContact O-N 3.15Å; L286-S289 PolarHBondContact O-OG 3.06Å; E287-S289 PolarHBondContact O-N 2.89Å; S289-A291 VanDerWaalsContact C-N 3.27Å; S289-A291 PolarHBondContact O-N 3.31Å; S289-A291 PolarHBondContact OG-N 2.94Å; S289-K293 PolarHBondContact O-NZ 2.92Å |
| 290 | C | 98.6 | Very high | 98.9 | Very high | 27 Ų | 27 | 17 Ų | 17 | 18% | 0.182 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -71.9 | -15 | 173.5 | -69.9 | 0 | 0 | 0 | 0 | 114.2 | Y199 D251 R252 | Y199-C290 HydrophobicContact CE2-CB 4.46Å; D251-C290 PolarHBondContact O-SG 3.1Å; R252-C290 PolarHBondContact O-N 2.94Å |
| 291 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -59.3 | 146 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q117 L254 I261 A262 V264 S289 K293 | Q117-A291 WeakPolarHBondContact CB-O 3.38Å; Q117-A291 PolarHBondContact OE1-O 3.45Å; L254-A291 HydrophobicContact CB-CB 4.44Å; L254-A291 HydrophobicContact CD2-CB 4.43Å; I261-A291 HydrophobicContact CG2-CB 4.39Å; I261-A291 WeakPolarHBondContact O-CB 3.49Å; A262-A291 CarbonylContact O-C 3.59Å; A262-A291 WeakPolarHBondContact O-CA 3.4Å; V264-A291 HydrophobicContact CG2-CB 3.96Å; S289-A291 VanDerWaalsContact C-N 3.27Å; S289-A291 PolarHBondContact O-N 3.31Å; S289-A291 PolarHBondContact OG-N 2.94Å; A291-K293 VanDerWaalsContact O-CD 3.23Å; A291-K293 WeakPolarHBondContact O-CD 3.44Å; A291-K293 WeakPolarHBondContact O-CE 3.32Å; A291-K293 PolarHBondContact O-NZ 2.84Å |
| 292 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 129.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V119 L121 A195 A262 V263 V264 | V119-A292 HydrophobicContact CB-CB 3.99Å; V119-A292 HydrophobicContact CG1-CB 3.99Å; V119-A292 VanDerWaalsContact O-CB 3.31Å; V119-A292 WeakPolarHBondContact O-CB 3.5Å; L121-A292 HydrophobicContact CD2-CB 3.58Å; A195-A292 HydrophobicContact CB-CB 4.28Å; A262-A292 PolarHBondContact O-N 2.92Å; V263-A292 CarbonylContact C-O 3.49Å; V263-A292 VanDerWaalsContact CA-O 3.28Å; V263-A292 WeakPolarHBondContact CA-O 3.43Å; V263-A292 HydrophobicContact CG2-CB 4.4Å; V264-A292 PolarHBondContact N-O 3.32Å |
| 293 | K | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 140.6 | 177.9 | -83.4 | 71.2 | 69.3 | -173.8 | 0 | 111.3 | Q117 L121 V264 F266 L286 E287 S289 A291 P295 D296 | Q117-K293 VanDerWaalsContact CD-NZ 3.33Å; Q117-K293 VanDerWaalsContact OE1-N 3.07Å; L121-K293 VanDerWaalsContact CD2-O 3.3Å; L121-K293 WeakPolarHBondContact CD2-O 3.49Å; V264-K293 HydrophobicContact CB-CG 4.21Å; V264-K293 HydrophobicContact CG2-CD 4.49Å; F266-K293 HydrophobicContact CE2-CB 4.06Å; F266-K293 HydrophobicContact CE2-CG 3.81Å; F266-K293 HydrophobicContact CZ-CG 4.23Å; L286-K293 WeakPolarHBondContact O-CD 3.31Å; E287-K293 PolarHBondContact O-NZ 2.87Å; S289-K293 PolarHBondContact O-NZ 2.92Å; A291-K293 VanDerWaalsContact O-CD 3.23Å; A291-K293 WeakPolarHBondContact O-CD 3.44Å; A291-K293 WeakPolarHBondContact O-CE 3.32Å; A291-K293 PolarHBondContact O-NZ 2.84Å; K293-P295 VanDerWaalsContact C-C 3.47Å; K293-P295 CarbonylContact O-C 3.53Å; K293-D296 HydrophobicContact CB-CB 3.88Å; K293-D296 PolarHBondContact O-N 3.34Å |
| 294 | C | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 90.7 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | L121 L123 V264 Y265 F266 | L121-C294 HydrophobicContact CD1-CB 3.82Å; L121-C294 HydrophobicContact CD2-CB 3.96Å; L121-C294 HydrophobicContact CG-CB 3.7Å; L123-C294 WeakPolarHBondContact CG-SG 3.34Å; V264-C294 PolarHBondContact O-N 3Å; Y265-C294 HydrophobicContact CD2-CB 4.14Å; F266-C294 PolarHBondContact N-O 3.35Å |
| 295 | P | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.013 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -82.4 | 161.8 | -9.1 | 36.2 | -37.6 | 0 | 0 | 0 | 112.2 | T147 I148 F266 K293 T299 Q300 | T147-P295 WeakPolarHBondContact O-CB 3.36Å; T147-P295 VanDerWaalsContact O-CG 3.23Å; T147-P295 WeakPolarHBondContact O-CG 3.41Å; I148-P295 HydrophobicContact CB-CG 3.73Å; I148-P295 HydrophobicContact CD1-CG 4.38Å; I148-P295 HydrophobicContact CG1-CG 4.04Å; F266-P295 WeakPolarHBondContact CD2-O 3.11Å; F266-P295 VanDerWaalsContact CE2-O 3.31Å; F266-P295 WeakPolarHBondContact CE2-O 3.3Å; K293-P295 VanDerWaalsContact C-C 3.47Å; K293-P295 CarbonylContact O-C 3.53Å; P295-T299 HydrophobicContact CB-CG2 3.63Å; P295-Q300 HydrophobicContact CG-CB 4.1Å |
| 296 | D | 98.9 | Very high | 98.9 | Very high | 9 Ų | 9 | 8.2 Ų | 8.2 | 5% | 0.048 | 4% | 0.043 | C | C | . | . | trans | -68.4 | 164.4 | 158.3 | 61.7 | 42.2 | 0 | 0 | 0 | 111.7 | Q117 F120 K293 A298 T299 Q300 | Q117-D296 PolarHBondContact NE2-OD2 2.82Å; F120-D296 WeakPolarHBondContact CD1-OD2 3.33Å; K293-D296 HydrophobicContact CB-CB 3.88Å; K293-D296 PolarHBondContact O-N 3.34Å; D296-A298 VanDerWaalsContact C-N 3.26Å; D296-A298 PolarHBondContact O-N 3.4Å; D296-A298 PolarHBondContact OD1-N 2.79Å; D296-T299 PolarHBondContact O-N 3.1Å; D296-T299 VanDerWaalsContact O-N 3.13Å; D296-T299 WeakPolarHBondContact OD1-CB 3.45Å; D296-T299 PolarHBondContact OD1-N 3Å; D296-T299 PolarHBondContact OD1-OG1 2.85Å; D296-Q300 PolarHBondContact O-N 2.93Å | ||
| 297 | I | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 8.2 Ų | 8.2 | 2% | 0.021 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.6 | -36 | -174.5 | -162.2 | 71.1 | 0 | 0 | 0 | 113 | L103 I106 H107 R283 E287 Q300 L301 | L103-I297 HydrophobicContact CB-CD1 4.21Å; L103-I297 HydrophobicContact CD2-CD1 3.62Å; L103-I297 VanDerWaalsContact O-CG1 3.25Å; L103-I297 WeakPolarHBondContact O-CG1 3.28Å; I106-I297 HydrophobicContact CB-CD1 4.35Å; I106-I297 HydrophobicContact CB-CG1 4.13Å; I106-I297 HydrophobicContact CG2-CB 4.26Å; I106-I297 HydrophobicContact CG2-CD1 4.18Å; I106-I297 HydrophobicContact CG2-CG1 3.88Å; I106-I297 HydrophobicContact CG2-CG2 4.32Å; H107-I297 HydrophobicContact CB-CG1 4.43Å; H107-I297 HydrophobicContact CB-CG2 3.84Å; R283-I297 VanDerWaalsContact CZ-CD1 3.47Å; R283-I297 VanDerWaalsContact NH2-CD1 3.27Å; E287-I297 VanDerWaalsContact CD-N 3.35Å; E287-I297 HydrophobicContact CG-CB 4.08Å; E287-I297 PolarHBondContact OE1-N 3.47Å; E287-I297 VanDerWaalsContact OE1-N 3.15Å; E287-I297 PolarHBondContact OE2-N 2.99Å; E287-I297 VanDerWaalsContact OE2-N 3.1Å; I297-Q300 PolarHBondContact O-N 3.04Å; I297-L301 WeakPolarHBondContact O-CG 3.42Å; I297-L301 PolarHBondContact O-N 2.99Å |
| 298 | A | 98.9 | Very high | 98.9 | Very high | 9 Ų | 9 | 8.4 Ų | 8.4 | 7% | 0.074 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -70.8 | -37.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S80 L86 D296 Q300 L301 A302 | S80-A298 WeakPolarHBondContact O-CB 3.4Å; L86-A298 HydrophobicContact CD1-CB 4.17Å; D296-A298 VanDerWaalsContact C-N 3.26Å; D296-A298 PolarHBondContact O-N 3.4Å; D296-A298 PolarHBondContact OD1-N 2.79Å; A298-Q300 VanDerWaalsContact C-N 3.34Å; A298-L301 WeakPolarHBondContact O-CB 3.49Å; A298-L301 PolarHBondContact O-N 3.45Å; A298-A302 PolarHBondContact O-N 2.97Å |
| 299 | T | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 4.7 Ų | 4.7 | 1% | 0.012 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -69.9 | -31.3 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | V76 S80 T147 P295 D296 A302 Y432 | V76-T299 HydrophobicContact CG1-CG2 3.86Å; S80-T299 VanDerWaalsContact CB-OG1 3.3Å; S80-T299 WeakPolarHBondContact CB-OG1 3.47Å; S80-T299 PolarHBondContact OG-OG1 3.2Å; T147-T299 VanDerWaalsContact CB-O 3.31Å; T147-T299 WeakPolarHBondContact CB-O 3.3Å; T147-T299 PolarHBondContact OG1-O 3.28Å; P295-T299 HydrophobicContact CB-CG2 3.63Å; D296-T299 PolarHBondContact O-N 3.1Å; D296-T299 VanDerWaalsContact O-N 3.13Å; D296-T299 WeakPolarHBondContact OD1-CB 3.45Å; D296-T299 PolarHBondContact OD1-N 3Å; D296-T299 PolarHBondContact OD1-OG1 2.85Å; T299-A302 WeakPolarHBondContact O-CB 3.26Å; T299-A302 PolarHBondContact O-N 3.16Å; T299-Y432 WeakPolarHBondContact CG2-OH 3.41Å |
| 300 | Q | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 5.9 Ų | 5.9 | 5% | 0.051 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 167.8 | -177.9 | 173.9 | -0 | 0 | 0 | 111.4 | I148 G269 P295 D296 I297 A298 A302 G303 | I148-Q300 HydrophobicContact CB-CG 4.25Å; I148-Q300 VanDerWaalsContact CD1-CD 3.43Å; I148-Q300 HydrophobicContact CD1-CG 4.18Å; I148-Q300 HydrophobicContact CG2-CG 4.11Å; G269-Q300 PolarHBondContact O-NE2 2.88Å; P295-Q300 HydrophobicContact CG-CB 4.1Å; D296-Q300 PolarHBondContact O-N 2.93Å; I297-Q300 PolarHBondContact O-N 3.04Å; A298-Q300 VanDerWaalsContact C-N 3.34Å; Q300-A302 VanDerWaalsContact C-N 3.26Å; Q300-A302 PolarHBondContact O-N 3.12Å; Q300-G303 PolarHBondContact O-N 3.16Å |
| 301 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -60.7 | -36 | 176.1 | -68.6 | 167.8 | 0 | 0 | 0 | 112.1 | L86 L90 T100 L103 F104 H107 I297 A298 G303 T304 V307 | L86-L301 HydrophobicContact CD2-CB 4.06Å; L90-L301 HydrophobicContact CD1-CB 4.24Å; L90-L301 HydrophobicContact CD1-CD2 3.82Å; L90-L301 HydrophobicContact CD1-CG 4.45Å; T100-L301 HydrophobicContact CG2-CD2 4.4Å; L103-L301 HydrophobicContact CB-CD2 3.82Å; F104-L301 HydrophobicContact CD2-CD1 4.04Å; H107-L301 HydrophobicContact CB-CD1 3.75Å; I297-L301 WeakPolarHBondContact O-CG 3.42Å; I297-L301 PolarHBondContact O-N 2.99Å; A298-L301 WeakPolarHBondContact O-CB 3.49Å; A298-L301 PolarHBondContact O-N 3.45Å; L301-G303 PolarHBondContact O-N 3.5Å; L301-T304 WeakPolarHBondContact O-CB 3.4Å; L301-T304 VanDerWaalsContact O-CG2 3.28Å; L301-T304 WeakPolarHBondContact O-CG2 3.46Å; L301-T304 PolarHBondContact O-N 2.91Å; L301-T304 PolarHBondContact O-OG1 2.93Å; L301-V307 WeakPolarHBondContact O-CG2 3.32Å |
| 302 | A | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 7 Ų | 7 | 4% | 0.041 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -60.7 | -22 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V76 V79 A298 T299 Q300 V307 | V76-A302 HydrophobicContact CG1-CB 4.3Å; V79-A302 HydrophobicContact CB-CB 4.06Å; V79-A302 HydrophobicContact CG1-CB 3.51Å; A298-A302 PolarHBondContact O-N 2.97Å; T299-A302 WeakPolarHBondContact O-CB 3.26Å; T299-A302 PolarHBondContact O-N 3.16Å; Q300-A302 VanDerWaalsContact C-N 3.26Å; Q300-A302 PolarHBondContact O-N 3.12Å; A302-V307 WeakPolarHBondContact O-CG1 3.43Å |
| 303 | G | 98.6 | Very high | 98.8 | Very high | 4 Ų | 4 | 10.1 Ų | 10.1 | 4% | 0.041 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T147 Q300 L301 | T147-G303 WeakPolarHBondContact OG1-CA 3.4Å; T147-G303 PolarHBondContact OG1-N 2.93Å; Q300-G303 PolarHBondContact O-N 3.16Å; L301-G303 PolarHBondContact O-N 3.5Å |
| 304 | T | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 15.9 Ų | 15.9 | 8% | 0.08 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -63.8 | 148.3 | -179.4 | 58.1 | 0 | 0 | 0 | 0 | 111.8 | L301 K306 V307 Q308 | L301-T304 WeakPolarHBondContact O-CB 3.4Å; L301-T304 VanDerWaalsContact O-CG2 3.28Å; L301-T304 WeakPolarHBondContact O-CG2 3.46Å; L301-T304 PolarHBondContact O-N 2.91Å; L301-T304 PolarHBondContact O-OG1 2.93Å; T304-K306 PolarHBondContact O-N 3.06Å; T304-V307 PolarHBondContact O-N 2.79Å; T304-V307 VanDerWaalsContact O-N 3.13Å; T304-V307 WeakPolarHBondContact OG1-CB 3.34Å; T304-V307 VanDerWaalsContact OG1-CG2 3.24Å; T304-V307 WeakPolarHBondContact OG1-CG2 3.46Å; T304-V307 PolarHBondContact OG1-N 2.9Å; T304-Q308 PolarHBondContact O-N 2.81Å |
| 305 | K | 98.6 | Very high | 98.7 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.4 | -31.6 | 177.6 | -55.9 | -58.5 | -176.3 | -96.5 | 0 | 111.6 | E144 Q308 Q309 K364 Q366 E368 I396 | E144-K305 HydrophobicContact CB-CD 4.44Å; E144-K305 WeakPolarHBondContact OE2-CE 3.46Å; E144-K305 IonicContact OE2-NZ 3.71Å; E144-K305 PolarHBondContact OE2-NZ 2.89Å; K305-Q308 WeakPolarHBondContact O-CB 3.27Å; K305-Q308 PolarHBondContact O-N 3.21Å; K305-Q309 PolarHBondContact O-N 3.3Å; K305-K364 HydrophobicContact CD-CD 4.26Å; K305-K364 HydrophobicContact CG-CB 4.35Å; K305-K364 HydrophobicContact CG-CD 4.49Å; K305-Q366 VanDerWaalsContact N-OE1 3.15Å; K305-E368 IonicContact NZ-OE1 3.17Å; K305-E368 PolarHBondContact NZ-OE1 3.11Å; K305-E368 IonicContact NZ-OE2 3.81Å; K305-E368 PolarHBondContact NZ-OE2 3.49Å; K305-I396 HydrophobicContact CB-CD1 3.91Å; K305-I396 HydrophobicContact CB-CG1 3.86Å |
| 306 | K | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 172.2 | -175.9 | 62 | 176.7 | -174.5 | 0 | 112.2 | T89 L90 T304 Q309 E310 S340 D342 I396 | T89-K306 HydrophobicContact CG2-CG 4.03Å; T89-K306 VanDerWaalsContact O-CE 3.26Å; T89-K306 WeakPolarHBondContact O-CE 3.14Å; T89-K306 WeakPolarHBondContact O-CG 3.39Å; L90-K306 HydrophobicContact CD2-CB 3.91Å; L90-K306 HydrophobicContact CD2-CG 3.94Å; T304-K306 PolarHBondContact O-N 3.06Å; K306-Q309 PolarHBondContact O-N 2.96Å; K306-E310 PolarHBondContact O-N 3.14Å; K306-S340 PolarHBondContact NZ-OG 3.11Å; K306-D342 IonicContact NZ-OD1 2.81Å; K306-D342 PolarHBondContact NZ-OD1 2.83Å; K306-D342 IonicContact NZ-OD2 3.26Å; K306-D342 PolarHBondContact NZ-OD2 3.32Å; K306-I396 HydrophobicContact CB-CG2 4.48Å; K306-I396 HydrophobicContact CD-CG2 4.07Å |
| 307 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 173.9 | 167 | 0 | 0 | 0 | 0 | 111 | V79 F85 L86 T89 L90 L301 A302 T304 Q309 E310 L311 | V79-V307 HydrophobicContact CG1-CG1 4.01Å; F85-V307 HydrophobicContact CE1-CG1 4.15Å; L86-V307 HydrophobicContact CD2-CG2 4Å; T89-V307 HydrophobicContact CG2-CB 4.42Å; T89-V307 HydrophobicContact CG2-CG2 3.69Å; L90-V307 HydrophobicContact CD2-CG2 4.39Å; L301-V307 WeakPolarHBondContact O-CG2 3.32Å; A302-V307 WeakPolarHBondContact O-CG1 3.43Å; T304-V307 PolarHBondContact O-N 2.79Å; T304-V307 VanDerWaalsContact O-N 3.13Å; T304-V307 WeakPolarHBondContact OG1-CB 3.34Å; T304-V307 VanDerWaalsContact OG1-CG2 3.24Å; T304-V307 WeakPolarHBondContact OG1-CG2 3.46Å; T304-V307 PolarHBondContact OG1-N 2.9Å; V307-Q309 VanDerWaalsContact C-N 3.26Å; V307-Q309 PolarHBondContact O-N 2.79Å; V307-E310 PolarHBondContact O-N 2.77Å; V307-E310 VanDerWaalsContact O-N 3.14Å; V307-L311 HydrophobicContact CG1-CD1 3.8Å; V307-L311 HydrophobicContact CG1-CG 4.13Å; V307-L311 WeakPolarHBondContact O-CG 3.25Å; V307-L311 PolarHBondContact O-N 2.9Å |
| 308 | Q | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.2 | -44.4 | 175.9 | -174.3 | -172.8 | 5.1 | 0 | 0 | 112 | I143 T304 K305 L338 | I143-Q308 PolarHBondContact O-NE2 2.91Å; I143-Q308 VanDerWaalsContact O-NE2 3.08Å; T304-Q308 PolarHBondContact O-N 2.81Å; K305-Q308 WeakPolarHBondContact O-CB 3.27Å; K305-Q308 PolarHBondContact O-N 3.21Å; Q308-L338 HydrophobicContact CG-CD1 4.14Å |
| 309 | Q | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.2 | -41.2 | 177.5 | 175.5 | -88.1 | -70.3 | 0 | 0 | 113.1 | K305 K306 V307 L311 S312 L338 Y339 S340 I396 | K305-Q309 PolarHBondContact O-N 3.3Å; K306-Q309 PolarHBondContact O-N 2.96Å; V307-Q309 VanDerWaalsContact C-N 3.26Å; V307-Q309 PolarHBondContact O-N 2.79Å; Q309-L311 VanDerWaalsContact C-N 3.3Å; Q309-L311 PolarHBondContact O-N 3.34Å; Q309-S312 PolarHBondContact O-N 2.87Å; Q309-S312 PolarHBondContact O-OG 2.79Å; Q309-L338 HydrophobicContact CB-CB 4.21Å; Q309-L338 HydrophobicContact CB-CD2 4.44Å; Q309-L338 HydrophobicContact CG-CB 4.11Å; Q309-Y339 VanDerWaalsContact CG-C 3.49Å; Q309-S340 VanDerWaalsContact OE1-CA 3.26Å; Q309-I396 HydrophobicContact CB-CB 4.25Å; Q309-I396 HydrophobicContact CB-CD1 4.19Å; Q309-I396 HydrophobicContact CB-CG2 3.76Å; Q309-I396 HydrophobicContact CG-CB 4.42Å; Q309-I396 HydrophobicContact CG-CG2 4.07Å |
| 310 | E | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 27.2 Ų | 27.2 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -33.8 | 178.5 | -76.5 | -59.9 | 125.8 | 0 | 0 | 111.8 | F85 T89 K306 V307 S312 R313 M316 | F85-E310 HydrophobicContact CZ-CB 4.42Å; T89-E310 HydrophobicContact CG2-CB 3.94Å; T89-E310 HydrophobicContact CG2-CG 3.66Å; K306-E310 PolarHBondContact O-N 3.14Å; V307-E310 PolarHBondContact O-N 2.77Å; V307-E310 VanDerWaalsContact O-N 3.14Å; E310-S312 PolarHBondContact O-N 3.5Å; E310-R313 WeakPolarHBondContact O-CB 3.28Å; E310-R313 WeakPolarHBondContact O-CG 3.5Å; E310-R313 PolarHBondContact O-N 3Å; E310-R313 VanDerWaalsContact O-N 3.11Å; E310-R313 IonicContact OE1-CZ 3.99Å; E310-R313 VanDerWaalsContact OE1-CZ 3.31Å; E310-R313 IonicContact OE1-NE 3.37Å; E310-R313 PolarHBondContact OE1-NE 3.29Å; E310-R313 IonicContact OE1-NH2 3.01Å; E310-R313 PolarHBondContact OE1-NH2 2.9Å; E310-R313 VanDerWaalsContact OE2-CD 3.22Å; E310-R313 WeakPolarHBondContact OE2-CD 3.43Å; E310-R313 IonicContact OE2-CZ 2.65Å; E310-R313 IonicContact OE2-NE 3.9Å; E310-R313 PolarHBondContact OE2-NE 3Å; E310-M316 WeakPolarHBondContact O-CG 3.17Å |
| 311 | L | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 27 Ų | 27 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.2 | -24.1 | 175.9 | -71 | 172.3 | 0 | 0 | 0 | 113.9 | L75 V79 F85 V307 Q309 R313 L320 F335 | L75-L311 HydrophobicContact CD1-CD2 4.05Å; L75-L311 HydrophobicContact CD2-CD1 4Å; L75-L311 HydrophobicContact CD2-CD2 4.43Å; L75-L311 HydrophobicContact CG-CD1 4.37Å; L75-L311 HydrophobicContact CG-CD2 4.45Å; V79-L311 HydrophobicContact CG2-CD1 4.44Å; V79-L311 HydrophobicContact CG2-CD2 3.94Å; F85-L311 HydrophobicContact CE1-CD2 4.41Å; F85-L311 HydrophobicContact CZ-CD2 3.91Å; F85-L311 HydrophobicContact CZ-CG 4.33Å; V307-L311 HydrophobicContact CG1-CD1 3.8Å; V307-L311 HydrophobicContact CG1-CG 4.13Å; V307-L311 WeakPolarHBondContact O-CG 3.25Å; V307-L311 PolarHBondContact O-N 2.9Å; Q309-L311 VanDerWaalsContact C-N 3.3Å; Q309-L311 PolarHBondContact O-N 3.34Å; L311-R313 VanDerWaalsContact C-N 3.29Å; L311-R313 PolarHBondContact O-N 3.08Å; L311-L320 HydrophobicContact CD2-CD1 3.19Å; L311-F335 HydrophobicContact CB-CZ 4.48Å |
| 312 | S | 98.5 | Very high | 98.6 | Very high | 34 Ų | 34 | 31.4 Ų | 31.4 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7.9 | 178 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | Q309 E310 L338 | Q309-S312 PolarHBondContact O-N 2.87Å; Q309-S312 PolarHBondContact O-OG 2.79Å; E310-S312 PolarHBondContact O-N 3.5Å; S312-L338 WeakPolarHBondContact OG-CB 3.34Å |
| 313 | R | 98.4 | Very high | 98.6 | Very high | 66 Ų | 66 | 35 Ų | 35 | 25% | 0.249 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -65.3 | 141.6 | 176.7 | -68.4 | -173 | -176.9 | -75.9 | -0.2 | 111 | E310 L311 G315 M316 E346 | E310-R313 WeakPolarHBondContact O-CB 3.28Å; E310-R313 WeakPolarHBondContact O-CG 3.5Å; E310-R313 PolarHBondContact O-N 3Å; E310-R313 VanDerWaalsContact O-N 3.11Å; E310-R313 IonicContact OE1-CZ 3.99Å; E310-R313 VanDerWaalsContact OE1-CZ 3.31Å; E310-R313 IonicContact OE1-NE 3.37Å; E310-R313 PolarHBondContact OE1-NE 3.29Å; E310-R313 IonicContact OE1-NH2 3.01Å; E310-R313 PolarHBondContact OE1-NH2 2.9Å; E310-R313 VanDerWaalsContact OE2-CD 3.22Å; E310-R313 WeakPolarHBondContact OE2-CD 3.43Å; E310-R313 IonicContact OE2-CZ 2.65Å; E310-R313 IonicContact OE2-NE 3.9Å; E310-R313 PolarHBondContact OE2-NE 3Å; L311-R313 VanDerWaalsContact C-N 3.29Å; L311-R313 PolarHBondContact O-N 3.08Å; R313-G315 PolarHBondContact O-N 2.83Å; R313-M316 HydrophobicContact CB-CG 3.72Å; R313-M316 PolarHBondContact O-N 2.78Å; R313-M316 VanDerWaalsContact O-N 3.16Å; R313-E346 IonicContact CZ-OE1 2.73Å; R313-E346 IonicContact CZ-OE2 3.57Å; R313-E346 VanDerWaalsContact CZ-OE2 3.25Å; R313-E346 IonicContact NH1-OE1 2.82Å; R313-E346 PolarHBondContact NH1-OE1 3.33Å; R313-E346 IonicContact NH1-OE2 2.92Å; R313-E346 PolarHBondContact NH1-OE2 3.13Å; R313-E346 IonicContact NH2-OE1 2.96Å; R313-E346 IonicContact NH2-OE2 3.54Å; R313-E346 PolarHBondContact NH2-OE2 3.35Å |
| 314 | P | 98.3 | Very high | 98.6 | Very high | 123 Ų | 123 | 38.1 Ų | 38.1 | 80% | 0.799 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 131.7 | 174 | -26.4 | 35 | 0 | 0 | 0 | 111.8 | M316 | P314-M316 VanDerWaalsContact C-N 3.34Å; P314-M316 PolarHBondContact O-N 3.39Å |
| 315 | G | 98.3 | Very high | 98.6 | Very high | 33 Ų | 33 | 42.2 Ų | 42.2 | 34% | 0.34 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -14.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | R313 E318 M319 | R313-G315 PolarHBondContact O-N 2.83Å; G315-E318 WeakPolarHBondContact CA-OE2 3.41Å; G315-E318 PolarHBondContact N-OE2 3.4Å; G315-E318 PolarHBondContact O-N 3.03Å; G315-M319 WeakPolarHBondContact O-CB 3.38Å; G315-M319 PolarHBondContact O-N 3.13Å |
| 316 | M | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.7 | -40.7 | -176.1 | -70 | -49.5 | 99.6 | 0 | 0 | 113 | E310 R313 P314 E318 M319 L320 | E310-M316 WeakPolarHBondContact O-CG 3.17Å; R313-M316 HydrophobicContact CB-CG 3.72Å; R313-M316 PolarHBondContact O-N 2.78Å; R313-M316 VanDerWaalsContact O-N 3.16Å; P314-M316 VanDerWaalsContact C-N 3.34Å; P314-M316 PolarHBondContact O-N 3.39Å; M316-E318 VanDerWaalsContact C-N 3.31Å; M316-E318 PolarHBondContact O-N 2.52Å; M316-M319 PolarHBondContact O-N 2.77Å; M316-M319 HydrophobicContact SD-CE 3.98Å; M316-M319 HydrophobicContact SD-SD 4.39Å; M316-L320 PolarHBondContact O-N 2.91Å; M316-L320 VanDerWaalsContact O-N 3.1Å |
| 317 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 173.1 | -67.9 | -178.1 | 0 | 0 | 0 | 111.5 | L75 M319 L320 L321 V328 L331 R332 F335 | L75-L317 HydrophobicContact CD1-CD2 3.88Å; L75-L317 HydrophobicContact CD2-CD2 3.61Å; L75-L317 HydrophobicContact CG-CD2 4.42Å; L317-M319 VanDerWaalsContact C-N 3.35Å; L317-L320 PolarHBondContact O-N 2.78Å; L317-L321 WeakPolarHBondContact O-CB 3.04Å; L317-L321 PolarHBondContact O-N 2.65Å; L317-V328 HydrophobicContact CB-CB 4.47Å; L317-V328 HydrophobicContact CB-CG1 3.88Å; L317-V328 HydrophobicContact CB-CG2 4.09Å; L317-V328 HydrophobicContact CD1-CG1 4.2Å; L317-L331 HydrophobicContact CD1-CB 3.95Å; L317-L331 HydrophobicContact CD2-CD1 4.38Å; L317-R332 HydrophobicContact CD1-CB 4.03Å; L317-F335 HydrophobicContact CD1-CE2 3.7Å; L317-F335 HydrophobicContact CD1-CZ 4.18Å; L317-F335 HydrophobicContact CD2-CE2 4.05Å; L317-F335 HydrophobicContact CD2-CZ 4.04Å; L317-F335 HydrophobicContact CG-CE2 4.08Å |
| 318 | E | 98.7 | Very high | 98.5 | Very high | 76 Ų | 76 | 49.2 Ų | 49.2 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 177.7 | -68.6 | 81.3 | 178.2 | 0 | 0 | 112.4 | G315 M316 L321 P322 V328 R332 | G315-E318 WeakPolarHBondContact CA-OE2 3.41Å; G315-E318 PolarHBondContact N-OE2 3.4Å; G315-E318 PolarHBondContact O-N 3.03Å; M316-E318 VanDerWaalsContact C-N 3.31Å; M316-E318 PolarHBondContact O-N 2.52Å; E318-L321 CarbonylContact O-C 3.58Å; E318-P322 VanDerWaalsContact O-CA 3.31Å; E318-P322 WeakPolarHBondContact O-CA 3.49Å; E318-V328 HydrophobicContact CG-CG1 4.3Å; E318-V328 WeakPolarHBondContact OE1-CG1 3.3Å; E318-R332 IonicContact OE1-CZ 3.77Å; E318-R332 IonicContact OE1-NH1 2.81Å; E318-R332 PolarHBondContact OE1-NH1 2.83Å; E318-R332 IonicContact OE1-NH2 3.77Å; E318-R332 PolarHBondContact OE1-NH2 3.26Å; E318-R332 IonicContact OE2-CZ 2.66Å; E318-R332 IonicContact OE2-NH2 3.97Å; E318-R332 PolarHBondContact OE2-NH2 3.01Å |
| 319 | M | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 51.5 Ų | 51.5 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.5 | -179.7 | -167.9 | 69.9 | 0 | 0 | 111.7 | F85 G315 M316 L317 | F85-M319 HydrophobicContact CD2-CE 3.71Å; F85-M319 HydrophobicContact CE2-CE 4.3Å; F85-M319 HydrophobicContact CG-CE 4.43Å; G315-M319 WeakPolarHBondContact O-CB 3.38Å; G315-M319 PolarHBondContact O-N 3.13Å; M316-M319 PolarHBondContact O-N 2.77Å; M316-M319 HydrophobicContact SD-CE 3.98Å; M316-M319 HydrophobicContact SD-SD 4.39Å; L317-M319 VanDerWaalsContact C-N 3.35Å |
| 320 | L | 98.6 | Very high | 98.5 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -82.5 | -30.2 | -176.9 | -71.9 | 162.8 | 0 | 0 | 0 | 113.1 | L75 V79 N82 F85 L311 M316 L317 P322 | L75-L320 HydrophobicContact CD1-CB 4.03Å; L75-L320 HydrophobicContact CD1-CD1 4.05Å; V79-L320 HydrophobicContact CG2-CD1 3.73Å; V79-L320 HydrophobicContact CG2-CD2 4.2Å; N82-L320 HydrophobicContact CB-CD2 4.25Å; F85-L320 HydrophobicContact CE1-CD1 4.33Å; F85-L320 HydrophobicContact CE2-CD1 4.27Å; F85-L320 HydrophobicContact CG-CD2 4.43Å; F85-L320 HydrophobicContact CZ-CD1 4.12Å; L311-L320 HydrophobicContact CD2-CD1 3.19Å; M316-L320 PolarHBondContact O-N 2.91Å; M316-L320 VanDerWaalsContact O-N 3.1Å; L317-L320 PolarHBondContact O-N 2.78Å; L320-P322 WeakPolarHBondContact O-CD 3.47Å |
| 321 | L | 98.4 | Very high | 98.5 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -123.3 | 64.2 | 178.6 | -61.2 | 178.1 | 0 | 0 | 0 | 110.8 | L74 L75 A78 L317 E318 G323 Q324 V328 L331 | L74-L321 HydrophobicContact CB-CD2 4.05Å; L75-L321 HydrophobicContact CB-CD1 4.23Å; L75-L321 HydrophobicContact CD1-CD1 4.18Å; L75-L321 HydrophobicContact CD1-CG 4.25Å; A78-L321 HydrophobicContact CB-CD2 4.22Å; L317-L321 WeakPolarHBondContact O-CB 3.04Å; L317-L321 PolarHBondContact O-N 2.65Å; E318-L321 CarbonylContact O-C 3.58Å; L321-G323 PolarHBondContact O-N 2.69Å; L321-Q324 HydrophobicContact CB-CB 4.28Å; L321-Q324 PolarHBondContact O-N 3.43Å; L321-V328 HydrophobicContact CB-CG2 4.28Å; L321-L331 HydrophobicContact CD1-CD1 3.6Å |
| 322 | P | 98.3 | Very high | 98.5 | Very high | 93 Ų | 93 | 58.7 Ų | 58.7 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 137.8 | -177.2 | 27 | -35.1 | 0 | 0 | 0 | 111 | E318 L320 Q324 | E318-P322 VanDerWaalsContact O-CA 3.31Å; E318-P322 WeakPolarHBondContact O-CA 3.49Å; L320-P322 WeakPolarHBondContact O-CD 3.47Å; P322-Q324 VanDerWaalsContact C-N 3.28Å; P322-Q324 PolarHBondContact O-N 2.65Å |
| 323 | G | 97.9 | Very high | 98.5 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 83% | 0.825 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 11.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L321 P325 | L321-G323 PolarHBondContact O-N 2.69Å; G323-P325 WeakPolarHBondContact O-CD 3.5Å |
| 324 | Q | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 33% | 0.332 | 33% | 0.332 | S | S | . | . | trans | -117.6 | 58 | -177.6 | -61 | 174 | 70.2 | 0 | 0 | 112.6 | L321 P322 E326 A327 V328 | L321-Q324 HydrophobicContact CB-CB 4.28Å; L321-Q324 PolarHBondContact O-N 3.43Å; P322-Q324 VanDerWaalsContact C-N 3.28Å; P322-Q324 PolarHBondContact O-N 2.65Å; Q324-E326 VanDerWaalsContact C-N 3.29Å; Q324-E326 PolarHBondContact O-N 2.89Å; Q324-A327 HydrophobicContact CB-CB 4.14Å; Q324-A327 PolarHBondContact O-N 3.07Å; Q324-V328 WeakPolarHBondContact O-CG2 3.47Å; Q324-V328 PolarHBondContact O-N 2.98Å | ||
| 325 | P | 98.3 | Very high | 98.5 | Very high | 98 Ų | 98 | 51.3 Ų | 51.3 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62 | -32.5 | -170.8 | 26.3 | -35.6 | 0 | 0 | 0 | 113.8 | G323 A329 | G323-P325 WeakPolarHBondContact O-CD 3.5Å; P325-A329 WeakPolarHBondContact O-CB 3.38Å; P325-A329 PolarHBondContact O-N 3.2Å |
| 326 | E | 98.6 | Very high | 98.5 | Very high | 141 Ų | 141 | 50.2 Ų | 50.2 | 66% | 0.659 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.1 | -41.4 | 178.2 | -62 | -173.7 | 176.5 | 0 | 0 | 112.5 | Q324 A329 R330 | Q324-E326 VanDerWaalsContact C-N 3.29Å; Q324-E326 PolarHBondContact O-N 2.89Å; E326-A329 PolarHBondContact O-N 3.38Å; E326-R330 WeakPolarHBondContact O-CG 3.31Å; E326-R330 PolarHBondContact O-N 3.43Å; E326-R330 IonicContact OE2-NH1 3.86Å |
| 327 | A | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D71 Q324 A329 R330 L331 | D71-A327 HydrophobicContact CB-CB 4.12Å; D71-A327 VanDerWaalsContact OD1-CB 3.26Å; D71-A327 WeakPolarHBondContact OD1-CB 3.39Å; Q324-A327 HydrophobicContact CB-CB 4.14Å; Q324-A327 PolarHBondContact O-N 3.07Å; A327-A329 VanDerWaalsContact C-N 3.3Å; A327-A329 PolarHBondContact O-N 2.84Å; A327-R330 PolarHBondContact O-N 3.09Å; A327-L331 WeakPolarHBondContact O-CB 3.3Å; A327-L331 WeakPolarHBondContact O-CD1 3.49Å; A327-L331 VanDerWaalsContact O-CG 3.27Å; A327-L331 WeakPolarHBondContact O-CG 3.22Å; A327-L331 PolarHBondContact O-N 2.78Å |
| 328 | V | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.9 | -43.5 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L317 E318 L321 Q324 R332 | L317-V328 HydrophobicContact CB-CB 4.47Å; L317-V328 HydrophobicContact CB-CG1 3.88Å; L317-V328 HydrophobicContact CB-CG2 4.09Å; L317-V328 HydrophobicContact CD1-CG1 4.2Å; E318-V328 HydrophobicContact CG-CG1 4.3Å; E318-V328 WeakPolarHBondContact OE1-CG1 3.3Å; L321-V328 HydrophobicContact CB-CG2 4.28Å; Q324-V328 WeakPolarHBondContact O-CG2 3.47Å; Q324-V328 PolarHBondContact O-N 2.98Å; V328-R332 VanDerWaalsContact CG1-NH1 3.3Å; V328-R332 WeakPolarHBondContact O-CB 3.43Å; V328-R332 PolarHBondContact O-N 3.05Å |
| 329 | A | 98.8 | Very high | 98.4 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | P325 E326 A327 R332 A333 | P325-A329 WeakPolarHBondContact O-CB 3.38Å; P325-A329 PolarHBondContact O-N 3.2Å; E326-A329 PolarHBondContact O-N 3.38Å; A327-A329 VanDerWaalsContact C-N 3.3Å; A327-A329 PolarHBondContact O-N 2.84Å; A329-R332 PolarHBondContact O-N 2.89Å; A329-A333 WeakPolarHBondContact O-CB 3.2Å; A329-A333 PolarHBondContact O-N 2.9Å |
| 330 | R | 98.8 | Very high | 98.4 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 177.2 | -72.7 | -172.3 | -62.2 | -92 | -0.5 | 111.8 | V68 D71 E326 A327 | V68-R330 HydrophobicContact CB-CB 4.41Å; V68-R330 HydrophobicContact CG2-CB 3.93Å; D71-R330 IonicContact OD1-CZ 2.69Å; D71-R330 IonicContact OD1-NE 2.93Å; D71-R330 IonicContact OD1-NH2 3.47Å; D71-R330 PolarHBondContact OD1-NH2 2.59Å; D71-R330 IonicContact OD2-CZ 2.75Å; D71-R330 IonicContact OD2-NE 2.92Å; D71-R330 PolarHBondContact OD2-NE 2.78Å; D71-R330 IonicContact OD2-NH2 3.5Å; D71-R330 PolarHBondContact OD2-NH2 3.02Å; D71-R330 VanDerWaalsContact OD2-NH2 3.17Å; E326-R330 WeakPolarHBondContact O-CG 3.31Å; E326-R330 PolarHBondContact O-N 3.43Å; E326-R330 IonicContact OE2-NH1 3.86Å; A327-R330 PolarHBondContact O-N 3.09Å |
| 331 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.3 | -55.8 | 175.4 | -73.5 | 164.1 | 0 | 0 | 0 | 111.1 | V68 D71 F72 L75 L317 L321 A327 A333 T334 | V68-L331 HydrophobicContact CG2-CD2 4.05Å; V68-L331 HydrophobicContact CG2-CG 4.28Å; D71-L331 HydrophobicContact CB-CD1 4.03Å; D71-L331 HydrophobicContact CB-CD2 4.01Å; D71-L331 HydrophobicContact CB-CG 3.82Å; F72-L331 HydrophobicContact CB-CD2 4.4Å; F72-L331 HydrophobicContact CD1-CD2 3.59Å; F72-L331 HydrophobicContact CD2-CD2 3.66Å; F72-L331 HydrophobicContact CE1-CD2 3.56Å; F72-L331 HydrophobicContact CE2-CD2 3.63Å; F72-L331 HydrophobicContact CG-CD2 3.63Å; F72-L331 HydrophobicContact CZ-CD2 3.59Å; L75-L331 HydrophobicContact CB-CD1 4.4Å; L75-L331 HydrophobicContact CD2-CD1 4.17Å; L75-L331 HydrophobicContact CD2-CD2 4.18Å; L317-L331 HydrophobicContact CD1-CB 3.95Å; L317-L331 HydrophobicContact CD2-CD1 4.38Å; L321-L331 HydrophobicContact CD1-CD1 3.6Å; A327-L331 WeakPolarHBondContact O-CB 3.3Å; A327-L331 WeakPolarHBondContact O-CD1 3.49Å; A327-L331 VanDerWaalsContact O-CG 3.27Å; A327-L331 WeakPolarHBondContact O-CG 3.22Å; A327-L331 PolarHBondContact O-N 2.78Å; L331-A333 VanDerWaalsContact C-N 3.28Å; L331-A333 PolarHBondContact O-N 3.36Å; L331-T334 PolarHBondContact O-N 3.21Å; L331-T334 PolarHBondContact O-OG1 3Å |
| 332 | R | 98.8 | Very high | 98.4 | Very high | 99 Ų | 99 | 45 Ų | 45 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.1 | -37 | -176.8 | -177.3 | 172.5 | -66.6 | 130.7 | 5.4 | 113.1 | L317 E318 V328 A329 T334 F335 | L317-R332 HydrophobicContact CD1-CB 4.03Å; E318-R332 IonicContact OE1-CZ 3.77Å; E318-R332 IonicContact OE1-NH1 2.81Å; E318-R332 PolarHBondContact OE1-NH1 2.83Å; E318-R332 IonicContact OE1-NH2 3.77Å; E318-R332 PolarHBondContact OE1-NH2 3.26Å; E318-R332 IonicContact OE2-CZ 2.66Å; E318-R332 IonicContact OE2-NH2 3.97Å; E318-R332 PolarHBondContact OE2-NH2 3.01Å; V328-R332 VanDerWaalsContact CG1-NH1 3.3Å; V328-R332 WeakPolarHBondContact O-CB 3.43Å; V328-R332 PolarHBondContact O-N 3.05Å; A329-R332 PolarHBondContact O-N 2.89Å; R332-T334 PolarHBondContact O-N 3.14Å; R332-T334 VanDerWaalsContact O-N 3.16Å; R332-F335 PolarHBondContact O-N 2.6Å |
| 333 | A | 98.3 | Very high | 98.4 | Very high | 47 Ų | 47 | 45 Ų | 45 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.4 | -30 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K141 A329 L331 | K141-A333 PolarHBondContact NZ-O 3.43Å; A329-A333 WeakPolarHBondContact O-CB 3.2Å; A329-A333 PolarHBondContact O-N 2.9Å; L331-A333 VanDerWaalsContact C-N 3.28Å; L331-A333 PolarHBondContact O-N 3.36Å |
| 334 | T | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -83.3 | -13.5 | 179.5 | 73 | 0 | 0 | 0 | 0 | 114.1 | V68 Y128 L140 K141 Q142 L331 R332 | V68-T334 HydrophobicContact CG1-CG2 4.31Å; Y128-T334 HydrophobicContact CE1-CG2 3.98Å; L140-T334 HydrophobicContact CD2-CG2 4.18Å; L140-T334 WeakPolarHBondContact O-CA 3.5Å; K141-T334 CarbonylContact C-O 3.4Å; K141-T334 VanDerWaalsContact CA-O 3.3Å; K141-T334 WeakPolarHBondContact CA-O 3.45Å; Q142-T334 PolarHBondContact N-O 2.85Å; L331-T334 PolarHBondContact O-N 3.21Å; L331-T334 PolarHBondContact O-OG1 3Å; R332-T334 PolarHBondContact O-N 3.14Å; R332-T334 VanDerWaalsContact O-N 3.16Å |
| 335 | F | 98.5 | Very high | 98.3 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | trans | -73.5 | 136.4 | -178.4 | -64.1 | -11.7 | 0 | 0 | 0 | 111.4 | F72 K141 L311 L317 R332 | F72-F335 HydrophobicContact CE1-CE1 4.11Å; F72-F335 HydrophobicContact CZ-CE1 4.02Å; K141-F335 PolarHBondContact NZ-O 3.49Å; L311-F335 HydrophobicContact CB-CZ 4.48Å; L317-F335 HydrophobicContact CD1-CE2 3.7Å; L317-F335 HydrophobicContact CD1-CZ 4.18Å; L317-F335 HydrophobicContact CD2-CE2 4.05Å; L317-F335 HydrophobicContact CD2-CZ 4.04Å; L317-F335 HydrophobicContact CG-CE2 4.08Å; R332-F335 PolarHBondContact O-N 2.6Å | ||
| 336 | A | 96.9 | Very high | 98.2 | Very high | 11 Ų | 11 | 46 Ų | 46 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | trans | -89.4 | -179.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110 | L338 M398 E399 I401 | A336-L338 PolarHBondContact O-N 2.83Å; A336-M398 HydrophobicContact CB-CE 3.96Å; A336-E399 HydrophobicContact CB-CB 4.41Å; A336-I401 HydrophobicContact CB-CD1 3.84Å | ||
| 337 | G | 98.1 | Very high | 98.2 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | trans | -61.3 | 120.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y339 M398 E399 | G337-Y339 VanDerWaalsContact C-CE2 3.49Å; G337-M398 CarbonylContact O-C 3.55Å; G337-M398 WeakPolarHBondContact O-CA 3.29Å; G337-E399 PolarHBondContact N-OE2 3.32Å; G337-E399 PolarHBondContact O-N 2.83Å | ||
| 338 | L | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.9 | 178.4 | -76.2 | 158.6 | 0 | 0 | 0 | 108.3 | Q308 Q309 S312 A336 I396 M398 | Q308-L338 HydrophobicContact CG-CD1 4.14Å; Q309-L338 HydrophobicContact CB-CB 4.21Å; Q309-L338 HydrophobicContact CB-CD2 4.44Å; Q309-L338 HydrophobicContact CG-CB 4.11Å; S312-L338 WeakPolarHBondContact OG-CB 3.34Å; A336-L338 PolarHBondContact O-N 2.83Å; L338-I396 HydrophobicContact CD2-CD1 3.87Å; L338-M398 HydrophobicContact CD2-CB 4.04Å; L338-M398 HydrophobicContact CD2-CG 3.69Å; L338-M398 HydrophobicContact CD2-SD 4.04Å; L338-M398 HydrophobicContact CG-CG 4.4Å |
| 339 | Y | 98.7 | Very high | 98.2 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 23% | 0.231 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.5 | -168.5 | -46.1 | -87.5 | 0 | 0 | 0 | 110.9 | Q309 G337 A350 F361 L397 | Q309-Y339 VanDerWaalsContact CG-C 3.49Å; G337-Y339 VanDerWaalsContact C-CE2 3.49Å; Y339-A350 HydrophobicContact CG-CB 4.32Å; Y339-F361 HydrophobicContact CD2-CE1 4.21Å; Y339-F361 HydrophobicContact CE2-CD1 4.25Å; Y339-F361 AromaticContact CE2-CE1 3.65Å; Y339-F361 HydrophobicContact CE2-CE1 3.65Å; Y339-L397 HydrophobicContact CD2-CB 4.44Å; Y339-L397 HydrophobicContact CD2-CD2 4.27Å; Y339-L397 WeakPolarHBondContact CD2-O 3.15Å; Y339-L397 PolarHBondContact N-O 2.9Å; Y339-L397 PolarHBondContact O-N 3.05Å |
| 340 | S | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 144.6 | 169.4 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | K306 Q309 D342 G347 | K306-S340 PolarHBondContact NZ-OG 3.11Å; Q309-S340 VanDerWaalsContact OE1-CA 3.26Å; S340-D342 VanDerWaalsContact OG-CG 3.31Å; S340-D342 PolarHBondContact OG-N 3.41Å; S340-D342 VanDerWaalsContact OG-N 3.12Å; S340-D342 PolarHBondContact OG-OD2 3.11Å; S340-G347 WeakPolarHBondContact O-CA 3.07Å |
| 341 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -109 | 9.6 | 167.4 | -66.8 | -174.9 | 0 | 0 | 0 | 112.2 | A350 I351 L363 L383 R392 L397 | L341-A350 HydrophobicContact CD2-CB 3.92Å; L341-I351 HydrophobicContact CD2-CD1 4.44Å; L341-I351 HydrophobicContact CD2-CG1 3.7Å; L341-L363 HydrophobicContact CD1-CD1 3.36Å; L341-L383 HydrophobicContact CD1-CD2 4.17Å; L341-R392 HydrophobicContact CB-CB 4.49Å; L341-R392 WeakPolarHBondContact CB-O 3.47Å; L341-R392 WeakPolarHBondContact O-CD 3.46Å; L341-R392 WeakPolarHBondContact O-CG 3.26Å; L341-R392 PolarHBondContact O-NE 2.78Å; L341-R392 PolarHBondContact O-NH2 3.3Å; L341-L397 HydrophobicContact CD1-CB 4.3Å; L341-L397 HydrophobicContact CD2-CB 4.04Å; L341-L397 HydrophobicContact CG-CB 4.18Å | ||
| 342 | D | 97.8 | Very high | 98.1 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 19% | 0.187 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -56 | 156.7 | 175.3 | -61.4 | -12.8 | 0 | 0 | 0 | 111.3 | K306 S340 G344 | K306-D342 IonicContact NZ-OD1 2.81Å; K306-D342 PolarHBondContact NZ-OD1 2.83Å; K306-D342 IonicContact NZ-OD2 3.26Å; K306-D342 PolarHBondContact NZ-OD2 3.32Å; S340-D342 VanDerWaalsContact OG-CG 3.31Å; S340-D342 PolarHBondContact OG-N 3.41Å; S340-D342 VanDerWaalsContact OG-N 3.12Å; S340-D342 PolarHBondContact OG-OD2 3.11Å; D342-G344 PolarHBondContact O-N 3.49Å |
| 343 | M | 97.4 | Very high | 98 | Very high | 95 Ų | 95 | 43.6 Ų | 43.6 | 47% | 0.468 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -56.4 | 129.4 | 177.2 | -68.3 | -62.9 | -73 | 0 | 0 | 111.1 | E390 R392 | M343-E390 WeakPolarHBondContact CG-OE1 3.46Å; M343-E390 WeakPolarHBondContact CG-OE2 3.32Å; M343-R392 VanDerWaalsContact SD-CD 3.53Å; M343-R392 HydrophobicContact SD-CG 4.31Å |
| 344 | G | 97.1 | Very high | 98 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 135 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D342 E346 G347 D348 | D342-G344 PolarHBondContact O-N 3.49Å; G344-E346 VanDerWaalsContact C-N 3.31Å; G344-E346 PolarHBondContact O-N 3.25Å; G344-G347 PolarHBondContact O-N 3.19Å; G344-G347 VanDerWaalsContact O-N 3.16Å; G344-D348 PolarHBondContact O-N 3.09Å |
| 345 | E | 97.7 | Very high | 98 | Very high | 154 Ų | 154 | 44.1 Ų | 44.1 | 72% | 0.72 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57.1 | -40.4 | -171.2 | -64.6 | -175.8 | 176.2 | 0 | 0 | 113.5 | D348 Q349 | E345-D348 PolarHBondContact O-N 3.5Å; E345-Q349 WeakPolarHBondContact O-CB 3.28Å; E345-Q349 WeakPolarHBondContact O-CG 2.9Å; E345-Q349 PolarHBondContact O-N 3.03Å |
| 346 | E | 97 | Very high | 98 | Very high | 81 Ų | 81 | 47.2 Ų | 47.2 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 179.4 | -179.7 | 179.8 | -158.3 | 0 | 0 | 111.2 | R313 G344 Q349 A350 | R313-E346 IonicContact CZ-OE1 2.73Å; R313-E346 IonicContact CZ-OE2 3.57Å; R313-E346 VanDerWaalsContact CZ-OE2 3.25Å; R313-E346 IonicContact NH1-OE1 2.82Å; R313-E346 PolarHBondContact NH1-OE1 3.33Å; R313-E346 IonicContact NH1-OE2 2.92Å; R313-E346 PolarHBondContact NH1-OE2 3.13Å; R313-E346 IonicContact NH2-OE1 2.96Å; R313-E346 IonicContact NH2-OE2 3.54Å; R313-E346 PolarHBondContact NH2-OE2 3.35Å; G344-E346 VanDerWaalsContact C-N 3.31Å; G344-E346 PolarHBondContact O-N 3.25Å; E346-Q349 PolarHBondContact O-N 3.33Å; E346-A350 WeakPolarHBondContact O-CB 3.49Å; E346-A350 PolarHBondContact O-N 2.91Å |
| 347 | G | 97.9 | Very high | 98 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S340 G344 Q349 A350 I351 R392 | S340-G347 WeakPolarHBondContact O-CA 3.07Å; G344-G347 PolarHBondContact O-N 3.19Å; G344-G347 VanDerWaalsContact O-N 3.16Å; G347-Q349 VanDerWaalsContact C-N 3.29Å; G347-Q349 PolarHBondContact O-N 3.36Å; G347-A350 WeakPolarHBondContact O-CB 3.49Å; G347-A350 PolarHBondContact O-N 3.08Å; G347-A350 VanDerWaalsContact O-N 3.12Å; G347-I351 WeakPolarHBondContact O-CG1 3.2Å; G347-I351 PolarHBondContact O-N 3.42Å; G347-R392 PolarHBondContact O-NH2 3.08Å; G347-R392 VanDerWaalsContact O-NH2 3.16Å |
| 348 | D | 98.4 | Very high | 98 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -40.8 | -179.1 | -66.6 | -16.3 | 0 | 0 | 0 | 111.9 | G344 E345 A352 R392 | G344-D348 PolarHBondContact O-N 3.09Å; E345-D348 PolarHBondContact O-N 3.5Å; D348-A352 WeakPolarHBondContact O-CB 3.13Å; D348-A352 PolarHBondContact O-N 3.24Å; D348-R392 IonicContact OD1-CZ 3.54Å; D348-R392 IonicContact OD1-NH1 2.75Å; D348-R392 PolarHBondContact OD1-NH1 2.86Å; D348-R392 IonicContact OD1-NH2 3.41Å; D348-R392 PolarHBondContact OD1-NH2 3.41Å |
| 349 | Q | 98.4 | Very high | 97.8 | Very high | 106 Ų | 106 | 52.3 Ų | 52.3 | 50% | 0.495 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 174.2 | -71 | 173.9 | 24.6 | 0 | 0 | 112 | E345 E346 G347 A352 K353 | E345-Q349 WeakPolarHBondContact O-CB 3.28Å; E345-Q349 WeakPolarHBondContact O-CG 2.9Å; E345-Q349 PolarHBondContact O-N 3.03Å; E346-Q349 PolarHBondContact O-N 3.33Å; G347-Q349 VanDerWaalsContact C-N 3.29Å; G347-Q349 PolarHBondContact O-N 3.36Å; Q349-A352 PolarHBondContact O-N 3.31Å; Q349-K353 WeakPolarHBondContact O-CB 3.38Å; Q349-K353 VanDerWaalsContact O-CG 3.26Å; Q349-K353 WeakPolarHBondContact O-CG 3.4Å; Q349-K353 PolarHBondContact O-N 2.89Å |
| 350 | A | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -46 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y339 L341 E346 G347 A352 K353 A354 L397 | Y339-A350 HydrophobicContact CG-CB 4.32Å; L341-A350 HydrophobicContact CD2-CB 3.92Å; E346-A350 WeakPolarHBondContact O-CB 3.49Å; E346-A350 PolarHBondContact O-N 2.91Å; G347-A350 WeakPolarHBondContact O-CB 3.49Å; G347-A350 PolarHBondContact O-N 3.08Å; G347-A350 VanDerWaalsContact O-N 3.12Å; A350-A352 PolarHBondContact O-N 2.65Å; A350-K353 PolarHBondContact O-N 3.34Å; A350-A354 PolarHBondContact O-N 3.04Å; A350-L397 HydrophobicContact CB-CD2 4.07Å; A350-L397 WeakPolarHBondContact O-CD2 3.4Å |
| 351 | I | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 175 | -65.5 | -171.1 | 0 | 0 | 0 | 110.7 | L341 G347 K353 A354 L355 L383 K387 | L341-I351 HydrophobicContact CD2-CD1 4.44Å; L341-I351 HydrophobicContact CD2-CG1 3.7Å; G347-I351 WeakPolarHBondContact O-CG1 3.2Å; G347-I351 PolarHBondContact O-N 3.42Å; I351-K353 VanDerWaalsContact C-N 3.32Å; I351-K353 PolarHBondContact O-N 2.84Å; I351-A354 PolarHBondContact O-N 3.24Å; I351-L355 HydrophobicContact CG2-CD1 3.78Å; I351-L355 HydrophobicContact CG2-CG 4.21Å; I351-L355 WeakPolarHBondContact O-CG 3.47Å; I351-L355 PolarHBondContact O-N 2.72Å; I351-L383 HydrophobicContact CD1-CD2 4.45Å; I351-L383 HydrophobicContact CG1-CD2 4.1Å; I351-L383 HydrophobicContact CG2-CB 4.34Å; I351-K387 HydrophobicContact CD1-CB 4.38Å; I351-K387 HydrophobicContact CD1-CG 4.47Å; I351-K387 HydrophobicContact CG2-CG 4.39Å |
| 352 | A | 98.3 | Very high | 97.7 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D348 Q349 A350 L355 A356 | D348-A352 WeakPolarHBondContact O-CB 3.13Å; D348-A352 PolarHBondContact O-N 3.24Å; Q349-A352 PolarHBondContact O-N 3.31Å; A350-A352 PolarHBondContact O-N 2.65Å; A352-L355 PolarHBondContact O-N 2.92Å; A352-A356 WeakPolarHBondContact O-CB 3.39Å; A352-A356 PolarHBondContact O-N 2.96Å |
| 353 | K | 97.6 | Very high | 97.7 | Very high | 105 Ų | 105 | 55.8 Ų | 55.8 | 46% | 0.457 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.4 | -74.6 | 171.6 | -176.7 | 174.1 | 0 | 112 | Q349 A350 I351 A356 A357 F361 | Q349-K353 WeakPolarHBondContact O-CB 3.38Å; Q349-K353 VanDerWaalsContact O-CG 3.26Å; Q349-K353 WeakPolarHBondContact O-CG 3.4Å; Q349-K353 PolarHBondContact O-N 2.89Å; A350-K353 PolarHBondContact O-N 3.34Å; I351-K353 VanDerWaalsContact C-N 3.32Å; I351-K353 PolarHBondContact O-N 2.84Å; K353-A356 PolarHBondContact O-N 2.86Å; K353-A357 PolarHBondContact O-N 3.04Å; K353-F361 HydrophobicContact CB-CE2 4.37Å; K353-F361 HydrophobicContact CB-CZ 4.07Å |
| 354 | A | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A350 I351 A356 A357 P358 F361 L383 L397 | A350-A354 PolarHBondContact O-N 3.04Å; I351-A354 PolarHBondContact O-N 3.24Å; A354-A356 VanDerWaalsContact C-N 3.29Å; A354-A356 PolarHBondContact O-N 2.78Å; A354-A357 CarbonylContact O-C 3.32Å; A354-A357 PolarHBondContact O-N 2.84Å; A354-P358 WeakPolarHBondContact O-CA 3.42Å; A354-P358 WeakPolarHBondContact O-CB 3.32Å; A354-P358 WeakPolarHBondContact O-CD 3.42Å; A354-F361 HydrophobicContact CB-CB 4.34Å; A354-F361 HydrophobicContact CB-CD2 4.04Å; A354-F361 HydrophobicContact CB-CG 4.19Å; A354-L383 HydrophobicContact CB-CD1 3.45Å; A354-L383 VanDerWaalsContact CB-CD1 3.45Å; A354-L397 HydrophobicContact CB-CD1 3.88Å; A354-L397 HydrophobicContact CB-CD2 3.72Å; A354-L397 HydrophobicContact CB-CG 4.42Å |
| 355 | L | 98 | Very high | 97.8 | Very high | 57 Ų | 57 | 50.6 Ų | 50.6 | 30% | 0.298 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.7 | -32.3 | 176.7 | -70.4 | 175.1 | 0 | 0 | 0 | 112.4 | I351 A352 V380 L383 K384 | I351-L355 HydrophobicContact CG2-CD1 3.78Å; I351-L355 HydrophobicContact CG2-CG 4.21Å; I351-L355 WeakPolarHBondContact O-CG 3.47Å; I351-L355 PolarHBondContact O-N 2.72Å; A352-L355 PolarHBondContact O-N 2.92Å; L355-V380 HydrophobicContact CD2-CB 4.38Å; L355-V380 HydrophobicContact CD2-CG1 3.9Å; L355-V380 HydrophobicContact CD2-CG2 4.4Å; L355-L383 HydrophobicContact CD2-CB 4.09Å; L355-K384 HydrophobicContact CD2-CG 4.15Å |
| 356 | A | 98.1 | Very high | 97.7 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 72% | 0.719 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -75.8 | -30.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | A352 K353 A354 | A352-A356 WeakPolarHBondContact O-CB 3.39Å; A352-A356 PolarHBondContact O-N 2.96Å; K353-A356 PolarHBondContact O-N 2.86Å; A354-A356 VanDerWaalsContact C-N 3.29Å; A354-A356 PolarHBondContact O-N 2.78Å |
| 357 | A | 97.4 | Very high | 97.7 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 25% | 0.248 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -141 | 66.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | K353 A354 S359 R360 F361 | K353-A357 PolarHBondContact O-N 3.04Å; A354-A357 CarbonylContact O-C 3.32Å; A354-A357 PolarHBondContact O-N 2.84Å; A357-S359 VanDerWaalsContact C-N 3.26Å; A357-S359 PolarHBondContact O-N 2.76Å; A357-S359 VanDerWaalsContact O-N 3.17Å; A357-R360 HydrophobicContact CB-CG 4.23Å; A357-R360 WeakPolarHBondContact O-CB 3.21Å; A357-R360 PolarHBondContact O-N 2.88Å; A357-F361 WeakPolarHBondContact O-CD2 3.48Å |
| 358 | P | 96.8 | Very high | 97.3 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -67.2 | -21.5 | -167.9 | 25.9 | -35.8 | 0 | 0 | 0 | 114.5 | A354 R360 M379 V380 | A354-P358 WeakPolarHBondContact O-CA 3.42Å; A354-P358 WeakPolarHBondContact O-CB 3.32Å; A354-P358 WeakPolarHBondContact O-CD 3.42Å; P358-R360 PolarHBondContact O-N 3.44Å; P358-M379 HydrophobicContact CB-CE 3.89Å; P358-M379 WeakPolarHBondContact O-CE 3.48Å; P358-V380 HydrophobicContact CB-CG2 3.47Å; P358-V380 VanDerWaalsContact CB-CG2 3.47Å; P358-V380 HydrophobicContact CG-CG2 3.99Å |
| 359 | S | 95.4 | Very high | 96.4 | Very high | 75 Ų | 75 | 41.6 Ų | 41.6 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -67.1 | -19.6 | 174.5 | 56 | 0 | 0 | 0 | 0 | 113.4 | A357 K400 | A357-S359 VanDerWaalsContact C-N 3.26Å; A357-S359 PolarHBondContact O-N 2.76Å; A357-S359 VanDerWaalsContact O-N 3.17Å; S359-K400 WeakPolarHBondContact O-CD 3.49Å |
| 360 | R | 96.7 | Very high | 95.6 | Very high | 143 Ų | 143 | 38 Ų | 38 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -93.6 | 0.6 | -173.6 | -58.6 | -175.8 | 68.8 | 171.4 | 1 | 114.1 | A357 P358 K400 | A357-R360 HydrophobicContact CB-CG 4.23Å; A357-R360 WeakPolarHBondContact O-CB 3.21Å; A357-R360 PolarHBondContact O-N 2.88Å; P358-R360 PolarHBondContact O-N 3.44Å; R360-K400 PolarHBondContact O-N 3.45Å |
| 361 | F | 98.2 | Very high | 95.1 | Very high | 19 Ų | 19 | 40.6 Ų | 40.6 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 159.4 | -175 | -61.8 | -87.7 | 0 | 0 | 0 | 112.6 | Y339 K353 A354 A357 M379 L397 M398 | Y339-F361 HydrophobicContact CD2-CE1 4.21Å; Y339-F361 HydrophobicContact CE2-CD1 4.25Å; Y339-F361 AromaticContact CE2-CE1 3.65Å; Y339-F361 HydrophobicContact CE2-CE1 3.65Å; K353-F361 HydrophobicContact CB-CE2 4.37Å; K353-F361 HydrophobicContact CB-CZ 4.07Å; A354-F361 HydrophobicContact CB-CB 4.34Å; A354-F361 HydrophobicContact CB-CD2 4.04Å; A354-F361 HydrophobicContact CB-CG 4.19Å; A357-F361 WeakPolarHBondContact O-CD2 3.48Å; F361-M379 HydrophobicContact CB-CE 3.96Å; F361-M379 HydrophobicContact CB-SD 4.02Å; F361-L397 HydrophobicContact CB-CD1 3.87Å; F361-L397 HydrophobicContact CB-CD2 4.43Å; F361-L397 HydrophobicContact CB-CG 4.12Å; F361-L397 HydrophobicContact CD1-CD1 4.44Å; F361-L397 HydrophobicContact CD1-CD2 3.56Å; F361-L397 HydrophobicContact CD1-CG 3.78Å; F361-L397 HydrophobicContact CE1-CD2 3.94Å; F361-L397 HydrophobicContact CG-CD1 4.39Å; F361-L397 HydrophobicContact CG-CD2 4.05Å; F361-L397 HydrophobicContact CG-CG 4.21Å; F361-M398 CarbonylContact C-O 3.59Å; F361-M398 VanDerWaalsContact CA-O 3.23Å; F361-M398 WeakPolarHBondContact CA-O 3.39Å |
| 362 | V | 98.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 132.4 | 171.8 | -173 | 0 | 0 | 0 | 0 | 107.6 | K364 N373 Y375 M398 K400 | V362-K364 HydrophobicContact CG1-CG 3.94Å; V362-N373 HydrophobicContact CG1-CB 3.85Å; V362-Y375 HydrophobicContact CB-CD1 4.26Å; V362-Y375 HydrophobicContact CB-CE1 3.97Å; V362-Y375 HydrophobicContact CG1-CD1 3.86Å; V362-Y375 HydrophobicContact CG1-CE1 3.35Å; V362-Y375 HydrophobicContact CG1-CE2 4.39Å; V362-Y375 HydrophobicContact CG2-CD1 3.74Å; V362-Y375 HydrophobicContact CG2-CE1 3.41Å; V362-Y375 VanDerWaalsContact CG2-CE1 3.41Å; V362-M398 PolarHBondContact N-O 3.42Å; V362-M398 PolarHBondContact O-N 3.12Å; V362-K400 HydrophobicContact CG2-CB 3.86Å; V362-K400 HydrophobicContact CG2-CG 3.9Å |
| 363 | L | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120.1 | 173.6 | 176.8 | 68.4 | 0 | 0 | 0 | 108.5 | L341 L374 M379 A382 L383 L386 Y395 L397 | L341-L363 HydrophobicContact CD1-CD1 3.36Å; L363-L374 HydrophobicContact CB-CB 4.21Å; L363-L374 HydrophobicContact CD2-CB 4.36Å; L363-L374 HydrophobicContact CD2-CD1 3.97Å; L363-L374 PolarHBondContact N-O 2.96Å; L363-L374 PolarHBondContact O-N 3.11Å; L363-M379 HydrophobicContact CB-CB 4.41Å; L363-M379 HydrophobicContact CB-CG 3.65Å; L363-M379 HydrophobicContact CB-SD 3.91Å; L363-M379 HydrophobicContact CD2-CG 4.26Å; L363-A382 HydrophobicContact CD2-CB 3.91Å; L363-L383 HydrophobicContact CD1-CD2 4.07Å; L363-L383 HydrophobicContact CD2-CD2 4.11Å; L363-L383 HydrophobicContact CD2-CG 4.25Å; L363-L386 HydrophobicContact CD2-CD1 4.23Å; L363-Y395 HydrophobicContact CD1-CD1 3.9Å; L363-Y395 HydrophobicContact CD1-CG 3.96Å; L363-Y395 HydrophobicContact CD2-CD1 4.21Å; L363-Y395 HydrophobicContact CG-CD1 3.73Å; L363-Y395 HydrophobicContact CG-CE1 4.38Å; L363-Y395 HydrophobicContact CG-CG 4.28Å; L363-L397 HydrophobicContact CB-CD1 4.48Å |
| 364 | K | 98.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123 | -172.9 | -54.6 | -169.8 | 173.8 | -175.4 | 0 | 111.2 | I143 K305 V362 N373 Y395 I396 M398 | I143-K364 PolarHBondContact O-NZ 3.28Å; K305-K364 HydrophobicContact CD-CD 4.26Å; K305-K364 HydrophobicContact CG-CB 4.35Å; K305-K364 HydrophobicContact CG-CD 4.49Å; V362-K364 HydrophobicContact CG1-CG 3.94Å; K364-N373 WeakPolarHBondContact CG-OD1 3.25Å; K364-Y395 VanDerWaalsContact O-CA 3.31Å; K364-Y395 WeakPolarHBondContact O-CA 3.46Å; K364-I396 HydrophobicContact CB-CD1 4.48Å; K364-I396 HydrophobicContact CB-CG1 4.03Å; K364-I396 HydrophobicContact CD-CD1 4.48Å; K364-I396 PolarHBondContact N-O 3.03Å; K364-I396 PolarHBondContact O-N 3.38Å; K364-M398 HydrophobicContact CD-SD 4.34Å; K364-M398 VanDerWaalsContact CE-SD 3.51Å; K364-M398 PolarHBondContact NZ-SD 3.05Å |
| 365 | P | 98 | Very high | 94.6 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 172.1 | 167.1 | 33.2 | -34.5 | 0 | 0 | 0 | 111.1 | R367 N372 Y395 | P365-R367 HydrophobicContact CB-CG 4.21Å; P365-R367 HydrophobicContact CG-CB 4.28Å; P365-R367 HydrophobicContact CG-CG 4.05Å; P365-R367 PolarHBondContact O-N 3.12Å; P365-N372 VanDerWaalsContact CD-O 3.24Å; P365-N372 WeakPolarHBondContact CD-O 3.37Å; P365-N372 HydrophobicContact CG-CB 3.85Å; P365-N372 VanDerWaalsContact CG-O 3.28Å; P365-N372 WeakPolarHBondContact CG-O 3.44Å; P365-Y395 HydrophobicContact CB-CD1 4Å; P365-Y395 HydrophobicContact CB-CE1 3.74Å; P365-Y395 HydrophobicContact CG-CE1 4.37Å |
| 366 | Q | 95.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.033 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -77.7 | 64.2 | 173.7 | -50.6 | -42.9 | -52.9 | 0 | 0 | 112 | T93 T100 K305 S394 | T93-Q366 HydrophobicContact CG2-CG 3.59Å; T100-Q366 WeakPolarHBondContact OG1-CB 3.45Å; K305-Q366 VanDerWaalsContact N-OE1 3.15Å; Q366-S394 PolarHBondContact N-O 3.38Å; Q366-S394 PolarHBondContact NE2-O 3.07Å |
| 367 | R | 96.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 19% | 0.192 | 25% | 0.252 | C | S | . | . | trans | -132.3 | 159.2 | -178.5 | -61.6 | -64.5 | 178.6 | -88.1 | -3.6 | 111.1 | D97 M271 P365 N372 | D97-R367 VanDerWaalsContact CG-NH1 3.28Å; D97-R367 IonicContact OD1-CZ 3.19Å; D97-R367 IonicContact OD1-NH1 2.78Å; D97-R367 PolarHBondContact OD1-NH1 3.5Å; D97-R367 IonicContact OD1-NH2 2.69Å; D97-R367 PolarHBondContact OD1-NH2 2.73Å; D97-R367 IonicContact OD2-CZ 2.72Å; D97-R367 IonicContact OD2-NH1 2.84Å; D97-R367 PolarHBondContact OD2-NH1 3.47Å; M271-R367 HydrophobicContact CE-CB 4.28Å; M271-R367 HydrophobicContact CE-CG 4.39Å; M271-R367 HydrophobicContact SD-CB 3.82Å; M271-R367 HydrophobicContact SD-CG 4.27Å; P365-R367 HydrophobicContact CB-CG 4.21Å; P365-R367 HydrophobicContact CG-CB 4.28Å; P365-R367 HydrophobicContact CG-CG 4.05Å; P365-R367 PolarHBondContact O-N 3.12Å; R367-N372 HydrophobicContact CB-CB 3.79Å; R367-N372 WeakPolarHBondContact CB-ND2 3.27Å; R367-N372 HydrophobicContact CG-CB 4.33Å | ||
| 368 | E | 89.2 | Confident | 94.4 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | trans | -124.8 | 166.2 | -179.1 | -72 | -58.2 | 148.6 | 0 | 0 | 111.7 | Y270 K305 N372 | Y270-E368 HydrophobicContact CD2-CB 3.97Å; Y270-E368 HydrophobicContact CG-CB 4.49Å; K305-E368 IonicContact NZ-OE1 3.17Å; K305-E368 PolarHBondContact NZ-OE1 3.11Å; K305-E368 IonicContact NZ-OE2 3.81Å; K305-E368 PolarHBondContact NZ-OE2 3.49Å; E368-N372 PolarHBondContact O-ND2 3.39Å | ||
| 369 | G | 79.5 | Confident | 94.5 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 85.8 | 9.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 370 | G | 82.9 | Confident | 94.6 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 78.1 | 156.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N372 | G370-N372 PolarHBondContact O-ND2 2.73Š|
| 371 | G | 87.3 | Confident | 94.7 | Very high | 57 Ų | 57 | 41.3 Ų | 41.3 | 59% | 0.588 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 86.5 | 15.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D458 | G371-D458 WeakPolarHBondContact CA-OD2 3.26Å; G371-D458 VanDerWaalsContact N-CG 3.32Å; G371-D458 PolarHBondContact N-OD2 2.84Å |
| 372 | N | 92.9 | Very high | 94.7 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 24% | 0.235 | 24% | 0.24 | C | C | . | . | trans | -115.1 | -14.5 | -175 | -52.4 | -70.1 | 0 | 0 | 0 | 113.4 | M271 P365 R367 E368 G370 D458 | M271-N372 WeakPolarHBondContact CE-OD1 3.43Å; P365-N372 VanDerWaalsContact CD-O 3.24Å; P365-N372 WeakPolarHBondContact CD-O 3.37Å; P365-N372 HydrophobicContact CG-CB 3.85Å; P365-N372 VanDerWaalsContact CG-O 3.28Å; P365-N372 WeakPolarHBondContact CG-O 3.44Å; R367-N372 HydrophobicContact CB-CB 3.79Å; R367-N372 WeakPolarHBondContact CB-ND2 3.27Å; R367-N372 HydrophobicContact CG-CB 4.33Å; E368-N372 PolarHBondContact O-ND2 3.39Å; G370-N372 PolarHBondContact O-ND2 2.73Å; N372-D458 PolarHBondContact N-OD2 3.45Å; N372-D458 VanDerWaalsContact N-OD2 3.15Å | ||
| 373 | N | 95.5 | Very high | 94.7 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | trans | -81.8 | 146.7 | -173.6 | -66.3 | -19.4 | 0 | 0 | 0 | 110.3 | V362 K364 Y375 D458 | V362-N373 HydrophobicContact CG1-CB 3.85Å; K364-N373 WeakPolarHBondContact CG-OD1 3.25Å; N373-Y375 HydrophobicContact CB-CD2 4.38Å; N373-Y375 HydrophobicContact CB-CE2 3.48Å; N373-Y375 VanDerWaalsContact CB-CE2 3.48Å; N373-Y375 WeakPolarHBondContact CB-OH 3.43Å; N373-Y375 PolarHBondContact ND2-OH 2.88Å; N373-Y375 WeakPolarHBondContact O-CE2 3.5Å; N373-D458 PolarHBondContact N-OD2 3.36Å | ||
| 374 | L | 97.4 | Very high | 94.7 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 137.5 | 176.4 | -54 | 178.5 | 0 | 0 | 0 | 109.9 | L363 E378 M379 A382 | L363-L374 HydrophobicContact CB-CB 4.21Å; L363-L374 HydrophobicContact CD2-CB 4.36Å; L363-L374 HydrophobicContact CD2-CD1 3.97Å; L363-L374 PolarHBondContact N-O 2.96Å; L363-L374 PolarHBondContact O-N 3.11Å; L374-E378 HydrophobicContact CD2-CB 4.48Å; L374-M379 HydrophobicContact CB-CB 4.23Å; L374-A382 HydrophobicContact CD1-CB 3.67Å |
| 375 | Y | 96.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 17% | 0.169 | 30% | 0.299 | C | S | . | . | trans | -132.6 | 160.7 | -177.4 | -55.4 | -97.9 | 0 | 0 | 0 | 110.3 | V362 N373 E377 E378 M379 A457 D458 | V362-Y375 HydrophobicContact CB-CD1 4.26Å; V362-Y375 HydrophobicContact CB-CE1 3.97Å; V362-Y375 HydrophobicContact CG1-CD1 3.86Å; V362-Y375 HydrophobicContact CG1-CE1 3.35Å; V362-Y375 HydrophobicContact CG1-CE2 4.39Å; V362-Y375 HydrophobicContact CG2-CD1 3.74Å; V362-Y375 HydrophobicContact CG2-CE1 3.41Å; V362-Y375 VanDerWaalsContact CG2-CE1 3.41Å; N373-Y375 HydrophobicContact CB-CD2 4.38Å; N373-Y375 HydrophobicContact CB-CE2 3.48Å; N373-Y375 VanDerWaalsContact CB-CE2 3.48Å; N373-Y375 WeakPolarHBondContact CB-OH 3.43Å; N373-Y375 PolarHBondContact ND2-OH 2.88Å; N373-Y375 WeakPolarHBondContact O-CE2 3.5Å; Y375-E377 PolarHBondContact O-N 3.13Å; Y375-E378 PolarHBondContact O-N 3.11Å; Y375-M379 PolarHBondContact O-N 3.48Å; Y375-M379 VanDerWaalsContact O-N 3.15Å; Y375-A457 HydrophobicContact CD1-CB 4.03Å; Y375-A457 HydrophobicContact CD2-CB 3.57Å; Y375-A457 HydrophobicContact CE1-CB 4.35Å; Y375-A457 HydrophobicContact CE2-CB 3.94Å; Y375-A457 HydrophobicContact CG-CB 3.63Å; Y375-A457 PolarHBondContact OH-O 3.03Å; Y375-D458 HydrophobicContact CE2-CB 4.04Å | ||
| 376 | G | 95.3 | Very high | 94.6 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | 51.4 | -125.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M379 V380 | G376-M379 PolarHBondContact O-N 3.02Å; G376-V380 WeakPolarHBondContact O-CG2 3.46Å; G376-V380 PolarHBondContact O-N 3.26Å |
| 377 | E | 96.1 | Very high | 94.6 | Very high | 162 Ų | 162 | 58.5 Ų | 58.5 | 76% | 0.757 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | -177 | -65.9 | -173.6 | 177.1 | 0 | 0 | 113.3 | Y375 M379 V380 Q381 | Y375-E377 PolarHBondContact O-N 3.13Å; E377-M379 VanDerWaalsContact C-N 3.33Å; E377-M379 PolarHBondContact O-N 3.44Å; E377-V380 PolarHBondContact O-N 2.99Å; E377-Q381 WeakPolarHBondContact O-CG 3.2Å; E377-Q381 PolarHBondContact O-N 3.05Å |
| 378 | E | 97.4 | Very high | 94.6 | Very high | 123 Ų | 123 | 62.7 Ų | 62.7 | 58% | 0.575 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 177.9 | -66.1 | -178.7 | 172.3 | 0 | 0 | 110.9 | L374 Y375 V380 Q381 A382 | L374-E378 HydrophobicContact CD2-CB 4.48Å; Y375-E378 PolarHBondContact O-N 3.11Å; E378-V380 PolarHBondContact O-N 3.19Å; E378-Q381 PolarHBondContact O-N 2.97Å; E378-A382 WeakPolarHBondContact O-CB 3.46Å; E378-A382 PolarHBondContact O-N 3Å |
| 379 | M | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 173.8 | 177.5 | 178.6 | 71.6 | 0 | 0 | 111.4 | P358 F361 L363 L374 Y375 G376 E377 Q381 A382 L383 L397 | P358-M379 HydrophobicContact CB-CE 3.89Å; P358-M379 WeakPolarHBondContact O-CE 3.48Å; F361-M379 HydrophobicContact CB-CE 3.96Å; F361-M379 HydrophobicContact CB-SD 4.02Å; L363-M379 HydrophobicContact CB-CB 4.41Å; L363-M379 HydrophobicContact CB-CG 3.65Å; L363-M379 HydrophobicContact CB-SD 3.91Å; L363-M379 HydrophobicContact CD2-CG 4.26Å; L374-M379 HydrophobicContact CB-CB 4.23Å; Y375-M379 PolarHBondContact O-N 3.48Å; Y375-M379 VanDerWaalsContact O-N 3.15Å; G376-M379 PolarHBondContact O-N 3.02Å; E377-M379 VanDerWaalsContact C-N 3.33Å; E377-M379 PolarHBondContact O-N 3.44Å; M379-Q381 VanDerWaalsContact C-N 3.34Å; M379-Q381 PolarHBondContact O-N 3.11Å; M379-A382 PolarHBondContact O-N 3.47Å; M379-L383 HydrophobicContact CG-CD1 3.79Å; M379-L383 HydrophobicContact CG-CG 4.11Å; M379-L383 WeakPolarHBondContact O-CB 3.42Å; M379-L383 WeakPolarHBondContact O-CG 3.28Å; M379-L383 PolarHBondContact O-N 3.33Å; M379-L383 HydrophobicContact SD-CD1 4.41Å; M379-L397 HydrophobicContact SD-CD1 4.02Å |
| 380 | V | 98.4 | Very high | 95.8 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 16% | 0.164 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 179.2 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | L355 P358 G376 E377 E378 K384 | L355-V380 HydrophobicContact CD2-CB 4.38Å; L355-V380 HydrophobicContact CD2-CG1 3.9Å; L355-V380 HydrophobicContact CD2-CG2 4.4Å; P358-V380 HydrophobicContact CB-CG2 3.47Å; P358-V380 VanDerWaalsContact CB-CG2 3.47Å; P358-V380 HydrophobicContact CG-CG2 3.99Å; G376-V380 WeakPolarHBondContact O-CG2 3.46Å; G376-V380 PolarHBondContact O-N 3.26Å; E377-V380 PolarHBondContact O-N 2.99Å; E378-V380 PolarHBondContact O-N 3.19Å; V380-K384 HydrophobicContact CG1-CD 4.28Å; V380-K384 WeakPolarHBondContact O-CG 3.33Å; V380-K384 PolarHBondContact O-N 2.87Å; V380-K384 VanDerWaalsContact O-N 3.1Å |
| 381 | Q | 98.3 | Very high | 96.5 | Very high | 117 Ų | 117 | 70.4 Ų | 70.4 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 177.6 | -70 | 177.3 | 13.2 | 0 | 0 | 111.1 | E377 E378 M379 K384 Q385 | E377-Q381 WeakPolarHBondContact O-CG 3.2Å; E377-Q381 PolarHBondContact O-N 3.05Å; E378-Q381 PolarHBondContact O-N 2.97Å; M379-Q381 VanDerWaalsContact C-N 3.34Å; M379-Q381 PolarHBondContact O-N 3.11Å; Q381-K384 PolarHBondContact O-N 3Å; Q381-Q385 PolarHBondContact O-N 3.11Å |
| 382 | A | 98.3 | Very high | 97 | Very high | 15 Ų | 15 | 67.7 Ų | 67.7 | 12% | 0.124 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L363 L374 E378 M379 K384 Q385 L386 | L363-A382 HydrophobicContact CD2-CB 3.91Å; L374-A382 HydrophobicContact CD1-CB 3.67Å; E378-A382 WeakPolarHBondContact O-CB 3.46Å; E378-A382 PolarHBondContact O-N 3Å; M379-A382 PolarHBondContact O-N 3.47Å; A382-K384 VanDerWaalsContact C-N 3.29Å; A382-K384 PolarHBondContact O-N 3.21Å; A382-Q385 PolarHBondContact O-N 3.35Å; A382-L386 HydrophobicContact CB-CD1 4.41Å; A382-L386 WeakPolarHBondContact O-CB 3.23Å; A382-L386 VanDerWaalsContact O-CG 3.23Å; A382-L386 WeakPolarHBondContact O-CG 3.46Å; A382-L386 PolarHBondContact O-N 2.77Å |
| 383 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 179.6 | -74.1 | 179.2 | 0 | 0 | 0 | 113.2 | L341 I351 A354 L355 L363 M379 Q385 K387 | L341-L383 HydrophobicContact CD1-CD2 4.17Å; I351-L383 HydrophobicContact CD1-CD2 4.45Å; I351-L383 HydrophobicContact CG1-CD2 4.1Å; I351-L383 HydrophobicContact CG2-CB 4.34Å; A354-L383 HydrophobicContact CB-CD1 3.45Å; A354-L383 VanDerWaalsContact CB-CD1 3.45Å; L355-L383 HydrophobicContact CD2-CB 4.09Å; L363-L383 HydrophobicContact CD1-CD2 4.07Å; L363-L383 HydrophobicContact CD2-CD2 4.11Å; L363-L383 HydrophobicContact CD2-CG 4.25Å; M379-L383 HydrophobicContact CG-CD1 3.79Å; M379-L383 HydrophobicContact CG-CG 4.11Å; M379-L383 WeakPolarHBondContact O-CB 3.42Å; M379-L383 WeakPolarHBondContact O-CG 3.28Å; M379-L383 PolarHBondContact O-N 3.33Å; M379-L383 HydrophobicContact SD-CD1 4.41Å; L383-Q385 VanDerWaalsContact C-N 3.33Å; L383-K387 WeakPolarHBondContact O-CB 3.24Å; L383-K387 PolarHBondContact O-N 2.82Å |
| 384 | K | 98 | Very high | 97.3 | Very high | 139 Ų | 139 | 64.9 Ų | 64.9 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.5 | -35.7 | 175.1 | -75.5 | 172.8 | 179.9 | 176.8 | 0 | 112.5 | L355 V380 Q381 A382 | L355-K384 HydrophobicContact CD2-CG 4.15Å; V380-K384 HydrophobicContact CG1-CD 4.28Å; V380-K384 WeakPolarHBondContact O-CG 3.33Å; V380-K384 PolarHBondContact O-N 2.87Å; V380-K384 VanDerWaalsContact O-N 3.1Å; Q381-K384 PolarHBondContact O-N 3Å; A382-K384 VanDerWaalsContact C-N 3.29Å; A382-K384 PolarHBondContact O-N 3.21Å |
| 385 | Q | 97.6 | Very high | 97.4 | Very high | 153 Ų | 153 | 65.7 Ų | 65.7 | 72% | 0.715 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -77.4 | -39.5 | 176.9 | -65.6 | 175.1 | -0.4 | 0 | 0 | 111.7 | Q381 A382 L383 | Q381-Q385 PolarHBondContact O-N 3.11Å; A382-Q385 PolarHBondContact O-N 3.35Å; L383-Q385 VanDerWaalsContact C-N 3.33Å |
| 386 | L | 97.5 | Very high | 97.5 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.8 | -24.4 | -177.1 | -70.6 | 174.5 | 0 | 0 | 0 | 113.3 | L363 A382 D388 S389 E391 R392 Y395 | L363-L386 HydrophobicContact CD2-CD1 4.23Å; A382-L386 HydrophobicContact CB-CD1 4.41Å; A382-L386 WeakPolarHBondContact O-CB 3.23Å; A382-L386 VanDerWaalsContact O-CG 3.23Å; A382-L386 WeakPolarHBondContact O-CG 3.46Å; A382-L386 PolarHBondContact O-N 2.77Å; L386-D388 VanDerWaalsContact C-N 3.25Å; L386-D388 PolarHBondContact O-N 2.78Å; L386-D388 VanDerWaalsContact O-N 3.11Å; L386-S389 PolarHBondContact O-N 2.89Å; L386-S389 VanDerWaalsContact O-O 3.07Å; L386-E391 HydrophobicContact CD2-CB 3.87Å; L386-R392 HydrophobicContact CB-CB 4.02Å; L386-R392 WeakPolarHBondContact O-CD 3.41Å; L386-Y395 HydrophobicContact CD1-CD2 3.76Å; L386-Y395 HydrophobicContact CD1-CE2 3.81Å; L386-Y395 HydrophobicContact CD1-CG 4.32Å; L386-Y395 HydrophobicContact CD2-CD2 4.45Å; L386-Y395 HydrophobicContact CD2-CE2 4.15Å |
| 387 | K | 95.5 | Very high | 97.7 | Very high | 97 Ų | 97 | 62.2 Ų | 62.2 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -46.4 | -172 | -172.7 | -176.9 | 176.2 | -168.4 | 0 | 113.5 | I351 L383 R392 | I351-K387 HydrophobicContact CD1-CB 4.38Å; I351-K387 HydrophobicContact CD1-CG 4.47Å; I351-K387 HydrophobicContact CG2-CG 4.39Å; L383-K387 WeakPolarHBondContact O-CB 3.24Å; L383-K387 PolarHBondContact O-N 2.82Å; K387-R392 PolarHBondContact O-NH1 2.88Å |
| 388 | D | 95.8 | Very high | 97.8 | Very high | 139 Ų | 139 | 54.6 Ų | 54.6 | 74% | 0.743 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 10.4 | -176.5 | -52.5 | -47.8 | 0 | 0 | 0 | 112.5 | L386 | L386-D388 VanDerWaalsContact C-N 3.25Å; L386-D388 PolarHBondContact O-N 2.78Å; L386-D388 VanDerWaalsContact O-N 3.11Å |
| 389 | S | 97.8 | Very high | 97.8 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -108.7 | 139.3 | -179.3 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | L386 E391 R392 | L386-S389 PolarHBondContact O-N 2.89Å; L386-S389 VanDerWaalsContact O-O 3.07Å; S389-E391 PolarHBondContact O-N 3.15Å; S389-E391 WeakPolarHBondContact OG-CB 3.12Å; S389-E391 PolarHBondContact OG-N 3.34Å; S389-R392 VanDerWaalsContact O-CD 3.31Å; S389-R392 WeakPolarHBondContact O-CD 3.42Å; S389-R392 WeakPolarHBondContact O-CG 3.3Å; S389-R392 PolarHBondContact O-N 3.14Å |
| 390 | E | 97.1 | Very high | 97.7 | Very high | 107 Ų | 107 | 54.4 Ų | 54.4 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -61.1 | -23.9 | 173 | -66.2 | -67.9 | 153.3 | 0 | 0 | 112.6 | Q96 M343 R392 A393 | Q96-E390 WeakPolarHBondContact CG-O 3.32Å; M343-E390 WeakPolarHBondContact CG-OE1 3.46Å; M343-E390 WeakPolarHBondContact CG-OE2 3.32Å; E390-R392 PolarHBondContact O-N 2.69Å; E390-A393 PolarHBondContact O-N 2.85Å; E390-A393 VanDerWaalsContact O-N 3.11Å |
| 391 | E | 97.3 | Very high | 97.6 | Very high | 112 Ų | 112 | 53.5 Ų | 53.5 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -57.2 | -19.5 | 178.7 | -68 | 178.8 | -166 | 0 | 0 | 113.4 | L386 S389 A393 S394 | L386-E391 HydrophobicContact CD2-CB 3.87Å; S389-E391 PolarHBondContact O-N 3.15Å; S389-E391 WeakPolarHBondContact OG-CB 3.12Å; S389-E391 PolarHBondContact OG-N 3.34Å; E391-A393 PolarHBondContact O-N 3.31Å; E391-A393 VanDerWaalsContact O-N 3.1Å; E391-S394 WeakPolarHBondContact O-CB 3.29Å; E391-S394 PolarHBondContact O-N 2.89Å; E391-S394 PolarHBondContact O-OG 3.37Å |
| 392 | R | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -56.2 | -25.1 | 175.1 | 66.1 | -171.7 | -68.5 | -166.1 | -21.2 | 113.6 | L341 M343 G347 D348 L386 K387 S389 E390 S394 Y395 | L341-R392 HydrophobicContact CB-CB 4.49Å; L341-R392 WeakPolarHBondContact CB-O 3.47Å; L341-R392 WeakPolarHBondContact O-CD 3.46Å; L341-R392 WeakPolarHBondContact O-CG 3.26Å; L341-R392 PolarHBondContact O-NE 2.78Å; L341-R392 PolarHBondContact O-NH2 3.3Å; M343-R392 VanDerWaalsContact SD-CD 3.53Å; M343-R392 HydrophobicContact SD-CG 4.31Å; G347-R392 PolarHBondContact O-NH2 3.08Å; G347-R392 VanDerWaalsContact O-NH2 3.16Å; D348-R392 IonicContact OD1-CZ 3.54Å; D348-R392 IonicContact OD1-NH1 2.75Å; D348-R392 PolarHBondContact OD1-NH1 2.86Å; D348-R392 IonicContact OD1-NH2 3.41Å; D348-R392 PolarHBondContact OD1-NH2 3.41Å; L386-R392 HydrophobicContact CB-CB 4.02Å; L386-R392 WeakPolarHBondContact O-CD 3.41Å; K387-R392 PolarHBondContact O-NH1 2.88Å; S389-R392 VanDerWaalsContact O-CD 3.31Å; S389-R392 WeakPolarHBondContact O-CD 3.42Å; S389-R392 WeakPolarHBondContact O-CG 3.3Å; S389-R392 PolarHBondContact O-N 3.14Å; E390-R392 PolarHBondContact O-N 2.69Å; R392-S394 PolarHBondContact O-N 3.42Å; R392-Y395 PolarHBondContact O-N 3.46Å; R392-Y395 VanDerWaalsContact O-N 3.11Å |
| 393 | A | 97.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -69.3 | -11.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T93 Q96 E390 E391 Y395 | T93-A393 PolarHBondContact OG1-O 2.91Å; Q96-A393 HydrophobicContact CG-CB 4.21Å; E390-A393 PolarHBondContact O-N 2.85Å; E390-A393 VanDerWaalsContact O-N 3.11Å; E391-A393 PolarHBondContact O-N 3.31Å; E391-A393 VanDerWaalsContact O-N 3.1Å; A393-Y395 PolarHBondContact O-N 2.94Å |
| 394 | S | 97.5 | Very high | 96.9 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -75.4 | -9.3 | 171 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | Q96 Q366 E391 R392 | Q96-S394 WeakPolarHBondContact CB-OG 3.32Å; Q96-S394 PolarHBondContact O-OG 3.23Å; Q96-S394 VanDerWaalsContact O-OG 3.14Å; Q366-S394 PolarHBondContact N-O 3.38Å; Q366-S394 PolarHBondContact NE2-O 3.07Å; E391-S394 WeakPolarHBondContact O-CB 3.29Å; E391-S394 PolarHBondContact O-N 2.89Å; E391-S394 PolarHBondContact O-OG 3.37Å; R392-S394 PolarHBondContact O-N 3.42Å |
| 395 | Y | 98.7 | Very high | 96.8 | Very high | 55 Ų | 55 | 54 Ų | 54 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 158.3 | -174.5 | -62.7 | -93.9 | 0 | 0 | 0 | 112.4 | L363 K364 P365 L386 R392 A393 | L363-Y395 HydrophobicContact CD1-CD1 3.9Å; L363-Y395 HydrophobicContact CD1-CG 3.96Å; L363-Y395 HydrophobicContact CD2-CD1 4.21Å; L363-Y395 HydrophobicContact CG-CD1 3.73Å; L363-Y395 HydrophobicContact CG-CE1 4.38Å; L363-Y395 HydrophobicContact CG-CG 4.28Å; K364-Y395 VanDerWaalsContact O-CA 3.31Å; K364-Y395 WeakPolarHBondContact O-CA 3.46Å; P365-Y395 HydrophobicContact CB-CD1 4Å; P365-Y395 HydrophobicContact CB-CE1 3.74Å; P365-Y395 HydrophobicContact CG-CE1 4.37Å; L386-Y395 HydrophobicContact CD1-CD2 3.76Å; L386-Y395 HydrophobicContact CD1-CE2 3.81Å; L386-Y395 HydrophobicContact CD1-CG 4.32Å; L386-Y395 HydrophobicContact CD2-CD2 4.45Å; L386-Y395 HydrophobicContact CD2-CE2 4.15Å; R392-Y395 PolarHBondContact O-N 3.46Å; R392-Y395 VanDerWaalsContact O-N 3.11Å; A393-Y395 PolarHBondContact O-N 2.94Å |
| 396 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 159 | 159.5 | 60.3 | 140.7 | 0 | 0 | 0 | 109.3 | K305 K306 Q309 L338 K364 | K305-I396 HydrophobicContact CB-CD1 3.91Å; K305-I396 HydrophobicContact CB-CG1 3.86Å; K306-I396 HydrophobicContact CB-CG2 4.48Å; K306-I396 HydrophobicContact CD-CG2 4.07Å; Q309-I396 HydrophobicContact CB-CB 4.25Å; Q309-I396 HydrophobicContact CB-CD1 4.19Å; Q309-I396 HydrophobicContact CB-CG2 3.76Å; Q309-I396 HydrophobicContact CG-CB 4.42Å; Q309-I396 HydrophobicContact CG-CG2 4.07Å; L338-I396 HydrophobicContact CD2-CD1 3.87Å; K364-I396 HydrophobicContact CB-CD1 4.48Å; K364-I396 HydrophobicContact CB-CG1 4.03Å; K364-I396 HydrophobicContact CD-CD1 4.48Å; K364-I396 PolarHBondContact N-O 3.03Å; K364-I396 PolarHBondContact O-N 3.38Å |
| 397 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.6 | 169.2 | -168.6 | 80.1 | 0 | 0 | 0 | 109.1 | Y339 L341 A350 A354 F361 L363 M379 | Y339-L397 HydrophobicContact CD2-CB 4.44Å; Y339-L397 HydrophobicContact CD2-CD2 4.27Å; Y339-L397 WeakPolarHBondContact CD2-O 3.15Å; Y339-L397 PolarHBondContact N-O 2.9Å; Y339-L397 PolarHBondContact O-N 3.05Å; L341-L397 HydrophobicContact CD1-CB 4.3Å; L341-L397 HydrophobicContact CD2-CB 4.04Å; L341-L397 HydrophobicContact CG-CB 4.18Å; A350-L397 HydrophobicContact CB-CD2 4.07Å; A350-L397 WeakPolarHBondContact O-CD2 3.4Å; A354-L397 HydrophobicContact CB-CD1 3.88Å; A354-L397 HydrophobicContact CB-CD2 3.72Å; A354-L397 HydrophobicContact CB-CG 4.42Å; F361-L397 HydrophobicContact CB-CD1 3.87Å; F361-L397 HydrophobicContact CB-CD2 4.43Å; F361-L397 HydrophobicContact CB-CG 4.12Å; F361-L397 HydrophobicContact CD1-CD1 4.44Å; F361-L397 HydrophobicContact CD1-CD2 3.56Å; F361-L397 HydrophobicContact CD1-CG 3.78Å; F361-L397 HydrophobicContact CE1-CD2 3.94Å; F361-L397 HydrophobicContact CG-CD1 4.39Å; F361-L397 HydrophobicContact CG-CD2 4.05Å; F361-L397 HydrophobicContact CG-CG 4.21Å; L363-L397 HydrophobicContact CB-CD1 4.48Å; M379-L397 HydrophobicContact SD-CD1 4.02Å |
| 398 | M | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.3 | 179.8 | -174.7 | -179.6 | 176.3 | 0 | 0 | 110.3 | Q142 A336 G337 L338 F361 V362 K364 K400 | Q142-M398 WeakPolarHBondContact O-CE 3.4Å; A336-M398 HydrophobicContact CB-CE 3.96Å; G337-M398 CarbonylContact O-C 3.55Å; G337-M398 WeakPolarHBondContact O-CA 3.29Å; L338-M398 HydrophobicContact CD2-CB 4.04Å; L338-M398 HydrophobicContact CD2-CG 3.69Å; L338-M398 HydrophobicContact CD2-SD 4.04Å; L338-M398 HydrophobicContact CG-CG 4.4Å; F361-M398 CarbonylContact C-O 3.59Å; F361-M398 VanDerWaalsContact CA-O 3.23Å; F361-M398 WeakPolarHBondContact CA-O 3.39Å; V362-M398 PolarHBondContact N-O 3.42Å; V362-M398 PolarHBondContact O-N 3.12Å; K364-M398 HydrophobicContact CD-SD 4.34Å; K364-M398 VanDerWaalsContact CE-SD 3.51Å; K364-M398 PolarHBondContact NZ-SD 3.05Å; M398-K400 PolarHBondContact O-N 3.27Å |
| 399 | E | 97.8 | Very high | 96.9 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 127.3 | 167.6 | -176.9 | 179.5 | -171.8 | 0 | 0 | 109.9 | Q131 A336 G337 I401 | Q131-E399 PolarHBondContact NE2-OE1 2.81Å; A336-E399 HydrophobicContact CB-CB 4.41Å; G337-E399 PolarHBondContact N-OE2 3.32Å; G337-E399 PolarHBondContact O-N 2.83Å; E399-I401 PolarHBondContact O-N 2.94Å |
| 400 | K | 96.4 | Very high | 96.9 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 32% | 0.317 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -73 | 126 | 176.1 | -170.4 | -171.7 | 177 | -162.1 | 0 | 109 | S359 R360 V362 M398 E402 | S359-K400 WeakPolarHBondContact O-CD 3.49Å; R360-K400 PolarHBondContact O-N 3.45Å; V362-K400 HydrophobicContact CG2-CB 3.86Å; V362-K400 HydrophobicContact CG2-CG 3.9Å; M398-K400 PolarHBondContact O-N 3.27Å; K400-E402 HydrophobicContact CD-CG 4.3Å; K400-E402 HydrophobicContact CG-CG 4.4Å; K400-E402 IonicContact NZ-OE1 3.55Å |
| 401 | I | 95.7 | Very high | 96.9 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.046 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 131.5 | 170.5 | -51.5 | -53.4 | 0 | 0 | 0 | 108.6 | M129 Q131 K141 I143 A336 E399 P403 | M129-I401 HydrophobicContact CB-CB 4.02Å; M129-I401 HydrophobicContact CB-CG2 3.55Å; M129-I401 HydrophobicContact SD-CB 4.41Å; Q131-I401 HydrophobicContact CB-CD1 4.36Å; Q131-I401 HydrophobicContact CB-CG2 3.82Å; Q131-I401 HydrophobicContact CG-CD1 4.41Å; Q131-I401 HydrophobicContact CG-CG2 4.39Å; K141-I401 HydrophobicContact CB-CD1 3.64Å; K141-I401 HydrophobicContact CB-CG1 3.99Å; K141-I401 HydrophobicContact CG-CD1 3.98Å; I143-I401 HydrophobicContact CD1-CB 4.19Å; I143-I401 HydrophobicContact CD1-CG1 3.81Å; A336-I401 HydrophobicContact CB-CD1 3.84Å; E399-I401 PolarHBondContact O-N 2.94Å; I401-P403 HydrophobicContact CG2-CG 4.38Å; I401-P403 WeakPolarHBondContact O-CD 3.31Å |
| 402 | E | 92.1 | Very high | 97 | Very high | 104 Ų | 104 | 31 Ų | 31 | 49% | 0.486 | 15% | 0.147 | S | C | . | . | trans | -119.9 | 88.6 | 179.6 | -62.6 | -170.9 | 134.4 | 0 | 0 | 109.5 | K400 | K400-E402 HydrophobicContact CD-CG 4.3Å; K400-E402 HydrophobicContact CG-CG 4.4Å; K400-E402 IonicContact NZ-OE1 3.55Å | ||
| 403 | P | 94.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 160 | 175.9 | -20.7 | 34.6 | 0 | 0 | 0 | 112.5 | M129 F130 I401 P405 I423 | M129-P403 HydrophobicContact CB-CG 3.95Å; M129-P403 HydrophobicContact CG-CG 4.16Å; M129-P403 HydrophobicContact SD-CG 3.89Å; F130-P403 VanDerWaalsContact O-CA 3.3Å; F130-P403 WeakPolarHBondContact O-CA 3.31Å; I401-P403 HydrophobicContact CG2-CG 4.38Å; I401-P403 WeakPolarHBondContact O-CD 3.31Å; P403-P405 WeakPolarHBondContact O-CD 3.48Å; P403-I423 HydrophobicContact CB-CB 4.34Å; P403-I423 HydrophobicContact CB-CG2 4.07Å; P403-I423 HydrophobicContact CG-CB 4.36Å; P403-I423 HydrophobicContact CG-CG2 4.43Å |
| 404 | E | 93.8 | Very high | 96.7 | Very high | 116 Ų | 116 | 37.4 Ų | 37.4 | 54% | 0.542 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 124.4 | 168.1 | -178.2 | 159.9 | -157.5 | 0 | 0 | 110.4 | R132 | R132-E404 VanDerWaalsContact CZ-CD 3.48Å; R132-E404 IonicContact CZ-OE1 3.68Å; R132-E404 IonicContact CZ-OE2 3.41Å; R132-E404 IonicContact NE-OE2 3.57Å; R132-E404 IonicContact NH2-OE1 2.83Å; R132-E404 PolarHBondContact NH2-OE1 2.83Å; R132-E404 IonicContact NH2-OE2 2.77Å; R132-E404 PolarHBondContact NH2-OE2 2.77Å |
| 405 | P | 95.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 31% | 0.305 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 145.8 | 176.3 | -19.2 | 34.2 | 0 | 0 | 0 | 111.6 | P403 Q421 C422 I454 | P403-P405 WeakPolarHBondContact O-CD 3.48Å; P405-Q421 HydrophobicContact CB-CB 4.36Å; P405-C422 VanDerWaalsContact CA-O 3.32Å; P405-C422 WeakPolarHBondContact CA-O 3.06Å; P405-I454 HydrophobicContact CB-CD1 3.72Å; P405-I454 HydrophobicContact CG-CD1 3.31Å |
| 406 | F | 95.6 | Very high | 96.4 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 155.7 | 173 | 59.2 | -93.4 | 0 | 0 | 0 | 110.1 | S55 N408 Q421 C422 S424 T451 | S55-F406 VanDerWaalsContact CB-CZ 3.49Å; S55-F406 WeakPolarHBondContact OG-CE2 3.41Å; S55-F406 VanDerWaalsContact OG-CZ 3.32Å; S55-F406 WeakPolarHBondContact OG-CZ 3.3Å; F406-N408 HydrophobicContact CD2-CB 4.36Å; F406-N408 HydrophobicContact CE2-CB 4.11Å; F406-Q421 CarbonylContact O-C 3.42Å; F406-Q421 WeakPolarHBondContact O-CA 3.4Å; F406-C422 HydrophobicContact CD2-CB 4.19Å; F406-C422 HydrophobicContact CE2-CB 3.63Å; F406-C422 HydrophobicContact CZ-CB 3.85Å; F406-C422 PolarHBondContact N-O 3.01Å; F406-C422 PolarHBondContact O-N 3.16Å; F406-S424 WeakPolarHBondContact CZ-OG 3.28Å; F406-T451 HydrophobicContact CE2-CG2 4.29Å; F406-T451 HydrophobicContact CZ-CG2 3.98Å |
| 407 | E | 97.2 | Very high | 96.3 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 134.8 | 178.7 | -162.6 | 176.5 | 110.6 | 0 | 0 | 111.1 | G6 L9 Q10 V419 | G6-E407 VanDerWaalsContact CA-OE1 3.31Å; G6-E407 WeakPolarHBondContact CA-OE1 3.39Å; L9-E407 HydrophobicContact CD1-CG 4.13Å; Q10-E407 PolarHBondContact NE2-OE1 3.43Å; E407-V419 HydrophobicContact CG-CG1 3.83Å; E407-V419 WeakPolarHBondContact OE1-CG1 3.39Å |
| 408 | N | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 175.8 | 171.3 | -153.2 | -28.1 | 0 | 0 | 0 | 109.4 | F53 S55 F406 V419 V420 | F53-N408 PolarHBondContact N-OD1 3.33Å; F53-N408 PolarHBondContact O-ND2 3Å; S55-N408 PolarHBondContact OG-ND2 2.84Å; F406-N408 HydrophobicContact CD2-CB 4.36Å; F406-N408 HydrophobicContact CE2-CB 4.11Å; N408-V419 WeakPolarHBondContact O-CA 3.48Å; N408-V420 PolarHBondContact N-O 2.99Å; N408-V420 VanDerWaalsContact N-O 3.11Å; N408-V420 PolarHBondContact O-N 3.24Å |
| 409 | C | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.3 | 174 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | L9 L15 T51 L52 Q418 V419 | L9-C409 HydrophobicContact CD1-CB 4.47Å; L9-C409 HydrophobicContact CD2-CB 3.69Å; L15-C409 HydrophobicContact CD1-CB 4.27Å; T51-C409 CarbonylContact C-O 3.5Å; T51-C409 WeakPolarHBondContact CA-O 3.34Å; L52-C409 HydrophobicContact CB-CB 3.79Å; L52-C409 HydrophobicContact CD2-CB 4.07Å; L52-C409 PolarHBondContact N-O 3.33Å; C409-Q418 CarbonylContact C-O 3.51Å; C409-Q418 VanDerWaalsContact CA-O 3.25Å; C409-Q418 WeakPolarHBondContact CA-O 3.2Å; C409-V419 HydrophobicContact CB-CG2 4.33Å |
| 410 | L | 98.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.1 | 177.8 | -51.6 | -173.7 | 0 | 0 | 0 | 110.2 | T51 Q418 V420 A453 V467 | T51-L410 HydrophobicContact CG2-CD2 3.99Å; L410-Q418 PolarHBondContact N-O 2.67Å; L410-Q418 PolarHBondContact O-N 2.9Å; L410-V420 HydrophobicContact CD1-CG2 3.75Å; L410-V420 HydrophobicContact CG-CG2 3.8Å; L410-A453 HydrophobicContact CD1-CB 4.03Å; L410-V467 HydrophobicContact CB-CG1 4.49Å; L410-V467 HydrophobicContact CD2-CG1 4.49Å; L410-V467 HydrophobicContact CD2-CG2 3.71Å |
| 411 | L | 98.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121 | 176.5 | -58.4 | 176.9 | 0 | 0 | 0 | 109.3 | A19 A22 V23 Y47 P49 F50 L52 A417 | A19-L411 HydrophobicContact CB-CD2 3.78Å; A22-L411 HydrophobicContact CB-CD1 3.86Å; V23-L411 HydrophobicContact CG2-CD1 4.37Å; Y47-L411 HydrophobicContact CE2-CB 4.3Å; P49-L411 VanDerWaalsContact CA-O 3.23Å; P49-L411 WeakPolarHBondContact CA-O 3.46Å; F50-L411 HydrophobicContact CD1-CB 4.33Å; F50-L411 HydrophobicContact CD2-CD1 4.5Å; F50-L411 HydrophobicContact CE1-CB 4.11Å; F50-L411 HydrophobicContact CE1-CD1 4Å; F50-L411 HydrophobicContact CE2-CD1 3.74Å; F50-L411 HydrophobicContact CZ-CB 4.4Å; F50-L411 HydrophobicContact CZ-CD1 3.45Å; F50-L411 VanDerWaalsContact CZ-CD1 3.45Å; F50-L411 PolarHBondContact N-O 3.31Å; F50-L411 VanDerWaalsContact N-O 3.11Å; F50-L411 WeakPolarHBondContact O-CB 3.43Å; F50-L411 PolarHBondContact O-N 3.45Å; L52-L411 HydrophobicContact CB-CD1 4.46Å; L52-L411 HydrophobicContact CD1-CD1 4.16Å; L411-A417 HydrophobicContact CD2-CB 3.66Å |
| 412 | R | 97.7 | Very high | 96.2 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | trans | -136.4 | 132.9 | -178.9 | -169.3 | 178.8 | -53.6 | -79.1 | 2.7 | 110.3 | Y47 P49 G414 S415 G464 V465 | Y47-R412 VanDerWaalsContact OH-C 3.28Å; Y47-R412 PolarHBondContact OH-O 2.73Å; P49-R412 HydrophobicContact CB-CG 4.34Å; P49-R412 HydrophobicContact CG-CG 4.05Å; R412-G414 PolarHBondContact O-N 2.82Å; R412-S415 PolarHBondContact O-N 3.4Å; R412-G464 PolarHBondContact NH1-O 3.26Å; R412-G464 VanDerWaalsContact NH1-O 3.12Å; R412-V465 PolarHBondContact NH2-O 3.24Å | ||
| 413 | P | 96.8 | Very high | 96.4 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 29% | 0.292 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 132.1 | 178.6 | -26 | 34.3 | 0 | 0 | 0 | 112.3 | S46 Y47 S415 | S46-P413 WeakPolarHBondContact OG-CB 3.49Å; S46-P413 WeakPolarHBondContact OG-CG 3.26Å; Y47-P413 HydrophobicContact CD1-CG 4.23Å; Y47-P413 HydrophobicContact CD2-CG 3.85Å; Y47-P413 HydrophobicContact CE1-CB 4.41Å; Y47-P413 HydrophobicContact CE1-CG 4.09Å; Y47-P413 VanDerWaalsContact CE2-CD 3.41Å; Y47-P413 HydrophobicContact CE2-CG 3.71Å; Y47-P413 HydrophobicContact CG-CG 4.12Å; Y47-P413 WeakPolarHBondContact O-CG 3.4Å; Y47-P413 WeakPolarHBondContact OH-CA 3.28Å; P413-S415 VanDerWaalsContact C-N 3.26Å; P413-S415 PolarHBondContact O-N 2.82Å |
| 414 | G | 94.1 | Very high | 96.6 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 94% | 0.938 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 5.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R412 | R412-G414 PolarHBondContact O-N 2.82Š|
| 415 | S | 94.7 | Very high | 96.8 | Very high | 50 Ų | 50 | 41 Ų | 41 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -122.6 | 148 | 172.5 | -58.1 | 0 | 0 | 0 | 0 | 110.1 | R412 P413 | R412-S415 PolarHBondContact O-N 3.4Å; P413-S415 VanDerWaalsContact C-N 3.26Å; P413-S415 PolarHBondContact O-N 2.82Å |
| 416 | P | 95.1 | Very high | 97 | Very high | 101 Ų | 101 | 38.8 Ų | 38.8 | 66% | 0.656 | 23% | 0.234 | S | C | * | . | trans | -62 | 160.7 | 170.9 | 28.5 | -34.6 | 0 | 0 | 0 | 110.4 | Q418 | P416-Q418 WeakPolarHBondContact O-CG 3.19Å; P416-Q418 PolarHBondContact O-N 3.34Å | ||
| 417 | A | 96.4 | Very high | 97.1 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 31% | 0.306 | 22% | 0.224 | S | C | . | . | trans | -59.7 | 128.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A19 L411 | A19-A417 HydrophobicContact CB-CB 4.17Å; L411-A417 HydrophobicContact CD2-CB 3.66Å | ||
| 418 | Q | 96.2 | Very high | 97.2 | Very high | 79 Ų | 79 | 33.5 Ų | 33.5 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 109.6 | -173.4 | -72.2 | -178 | -20.6 | 0 | 0 | 111.3 | C409 L410 P416 V420 | C409-Q418 CarbonylContact C-O 3.51Å; C409-Q418 VanDerWaalsContact CA-O 3.25Å; C409-Q418 WeakPolarHBondContact CA-O 3.2Å; L410-Q418 PolarHBondContact N-O 2.67Å; L410-Q418 PolarHBondContact O-N 2.9Å; P416-Q418 WeakPolarHBondContact O-CG 3.19Å; P416-Q418 PolarHBondContact O-N 3.34Å; Q418-V420 HydrophobicContact CB-CG1 4.35Å |
| 419 | V | 96.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.1 | 170.3 | -180 | 0 | 0 | 0 | 0 | 108.8 | L9 L15 E407 N408 C409 | L9-V419 HydrophobicContact CB-CG1 4.03Å; L9-V419 HydrophobicContact CB-CG2 4.04Å; L9-V419 HydrophobicContact CD1-CG1 4.01Å; L9-V419 HydrophobicContact CD2-CG2 4.33Å; L15-V419 HydrophobicContact CD2-CG2 3.55Å; E407-V419 HydrophobicContact CG-CG1 3.83Å; E407-V419 WeakPolarHBondContact OE1-CG1 3.39Å; N408-V419 WeakPolarHBondContact O-CA 3.48Å; C409-V419 HydrophobicContact CB-CG2 4.33Å |
| 420 | V | 96.7 | Very high | 97.3 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 19% | 0.194 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 159.7 | -172.6 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | N408 L410 Q418 A453 | N408-V420 PolarHBondContact N-O 2.99Å; N408-V420 VanDerWaalsContact N-O 3.11Å; N408-V420 PolarHBondContact O-N 3.24Å; L410-V420 HydrophobicContact CD1-CG2 3.75Å; L410-V420 HydrophobicContact CG-CG2 3.8Å; Q418-V420 HydrophobicContact CB-CG1 4.35Å; V420-A453 HydrophobicContact CB-CB 4.41Å; V420-A453 HydrophobicContact CG2-CB 3.94Å |
| 421 | Q | 97.2 | Very high | 97.3 | Very high | 110 Ų | 110 | 33.3 Ų | 33.3 | 51% | 0.514 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 133.9 | 165.5 | -73.1 | -165.1 | -29.1 | 0 | 0 | 110.3 | P405 F406 A453 I454 | P405-Q421 HydrophobicContact CB-CB 4.36Å; F406-Q421 CarbonylContact O-C 3.42Å; F406-Q421 WeakPolarHBondContact O-CA 3.4Å; Q421-A453 WeakPolarHBondContact O-CA 3.2Å; Q421-I454 HydrophobicContact CB-CB 4.39Å; Q421-I454 HydrophobicContact CB-CG2 3.89Å; Q421-I454 PolarHBondContact O-N 2.74Å |
| 422 | C | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 156.9 | -171.8 | -72.6 | 0 | 0 | 0 | 0 | 111.5 | P405 F406 T451 K452 | P405-C422 VanDerWaalsContact CA-O 3.32Å; P405-C422 WeakPolarHBondContact CA-O 3.06Å; F406-C422 HydrophobicContact CD2-CB 4.19Å; F406-C422 HydrophobicContact CE2-CB 3.63Å; F406-C422 HydrophobicContact CZ-CB 3.85Å; F406-C422 PolarHBondContact N-O 3.01Å; F406-C422 PolarHBondContact O-N 3.16Å; C422-T451 HydrophobicContact CB-CG2 3.6Å; C422-K452 WeakPolarHBondContact CA-O 3.41Å |
| 423 | I | 96.9 | Very high | 97.4 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 11% | 0.108 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.9 | 162.9 | 55.5 | 173.1 | 0 | 0 | 0 | 109.2 | M129 P403 T451 K452 | M129-I423 HydrophobicContact CE-CD1 4.28Å; P403-I423 HydrophobicContact CB-CB 4.34Å; P403-I423 HydrophobicContact CB-CG2 4.07Å; P403-I423 HydrophobicContact CG-CB 4.36Å; P403-I423 HydrophobicContact CG-CG2 4.43Å; I423-T451 WeakPolarHBondContact O-CA 3.43Å; I423-K452 HydrophobicContact CG1-CG 4.07Å; I423-K452 PolarHBondContact N-O 2.89Å; I423-K452 PolarHBondContact O-N 3.44Å |
| 424 | S | 97.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 151.9 | -179.9 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | F406 R450 T451 | F406-S424 WeakPolarHBondContact CZ-OG 3.28Å; S424-R450 CarbonylContact C-O 3.52Å; S424-R450 VanDerWaalsContact CA-O 3.28Å; S424-R450 WeakPolarHBondContact CA-O 3.24Å; S424-T451 PolarHBondContact OG-OG1 3.1Å |
| 425 | E | 98.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 9% | 0.089 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 118.1 | 171.9 | -169.4 | 177 | 145.7 | 0 | 0 | 108.5 | D127 Y128 M129 I143 R450 | D127-E425 HydrophobicContact CB-CG 4.25Å; D127-E425 WeakPolarHBondContact CB-OE1 3.15Å; Y128-E425 CarbonylContact O-C 3.51Å; Y128-E425 VanDerWaalsContact O-CA 3.29Å; Y128-E425 WeakPolarHBondContact O-CA 3.4Å; Y128-E425 WeakPolarHBondContact O-CG 3.38Å; M129-E425 HydrophobicContact CE-CB 3.97Å; M129-E425 HydrophobicContact CE-CG 4.3Å; M129-E425 HydrophobicContact CG-CB 4.18Å; M129-E425 HydrophobicContact CG-CG 4.1Å; I143-E425 HydrophobicContact CG1-CG 4.22Å; E425-R450 PolarHBondContact N-O 3.11Å; E425-R450 PolarHBondContact O-N 2.98Å; E425-R450 IonicContact OE1-CZ 3.99Å; E425-R450 IonicContact OE1-NH1 3.08Å; E425-R450 IonicContact OE1-NH2 3.33Å; E425-R450 PolarHBondContact OE1-NH2 3.3Å; E425-R450 IonicContact OE2-NH2 3.7Å |
| 426 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.7 | -179 | 173 | 65.4 | 0 | 0 | 0 | 109.8 | L62 A65 D127 Y128 F130 I428 H447 L449 | L62-L426 HydrophobicContact CD1-CD1 3.89Å; L62-L426 HydrophobicContact CD1-CD2 3.72Å; L62-L426 HydrophobicContact CD1-CG 4.44Å; A65-L426 HydrophobicContact CB-CD2 3.85Å; D127-L426 CarbonylContact C-O 3.52Å; D127-L426 WeakPolarHBondContact CA-O 3.13Å; Y128-L426 WeakPolarHBondContact CD2-O 3.27Å; Y128-L426 PolarHBondContact N-O 2.92Å; Y128-L426 PolarHBondContact O-N 3.06Å; F130-L426 HydrophobicContact CE1-CB 4.26Å; F130-L426 HydrophobicContact CE1-CD2 4.24Å; F130-L426 HydrophobicContact CZ-CB 3.93Å; F130-L426 HydrophobicContact CZ-CD2 4.31Å; L426-I428 HydrophobicContact CD1-CD1 4.1Å; L426-I428 HydrophobicContact CD2-CD1 4.38Å; L426-I428 HydrophobicContact CG-CD1 4.19Å; L426-H447 HydrophobicContact CD1-CB 4.19Å; L426-L449 HydrophobicContact CB-CD1 4.01Å; L426-L449 HydrophobicContact CD1-CD1 4.31Å |
| 427 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | S126 D127 H447 L448 | S126-G427 CarbonylContact O-C 3.52Å; S126-G427 VanDerWaalsContact O-CA 3.3Å; S126-G427 WeakPolarHBondContact O-CA 3.3Å; D127-G427 WeakPolarHBondContact OD1-CA 3.25Å; G427-H447 CarbonylContact O-C 3.53Å; G427-H447 WeakPolarHBondContact O-CA 3.49Å; G427-L448 PolarHBondContact N-O 3.16Å; G427-L448 PolarHBondContact O-N 3.37Å |
| 428 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.3 | 169.8 | -55 | -59.6 | 0 | 0 | 0 | 108.8 | L62 A65 Y66 Q69 R125 S126 Y128 L426 H444 H447 | L62-I428 HydrophobicContact CD1-CD1 4.33Å; A65-I428 HydrophobicContact CB-CD1 4.14Å; A65-I428 HydrophobicContact CB-CG1 3.65Å; Y66-I428 HydrophobicContact CD1-CD1 4.33Å; Y66-I428 HydrophobicContact CD1-CG2 3.98Å; Y66-I428 HydrophobicContact CD2-CD1 4.22Å; Y66-I428 HydrophobicContact CE1-CD1 4.25Å; Y66-I428 HydrophobicContact CE1-CG2 4.19Å; Y66-I428 HydrophobicContact CE2-CD1 4.15Å; Y66-I428 HydrophobicContact CG-CD1 4.32Å; Q69-I428 HydrophobicContact CB-CG2 3.81Å; Q69-I428 HydrophobicContact CG-CG2 3.77Å; Q69-I428 PolarHBondContact OE1-O 3.08Å; R125-I428 CarbonylContact C-O 3.5Å; R125-I428 VanDerWaalsContact CA-O 3.24Å; R125-I428 WeakPolarHBondContact CA-O 3.42Å; S126-I428 PolarHBondContact N-O 3.23Å; S126-I428 PolarHBondContact O-N 3.19Å; Y128-I428 HydrophobicContact CE2-CG1 4.32Å; L426-I428 HydrophobicContact CD1-CD1 4.1Å; L426-I428 HydrophobicContact CD2-CD1 4.38Å; L426-I428 HydrophobicContact CG-CD1 4.19Å; I428-H444 HydrophobicContact CG2-CB 4.08Å; I428-H447 HydrophobicContact CD1-CB 3.82Å |
| 429 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.6 | 178.3 | -71.3 | -80.9 | 0 | 0 | 0 | 110.8 | N124 R125 S151 G153 P184 L188 H444 V445 G446 L448 | N124-F429 WeakPolarHBondContact O-CA 3.49Å; R125-F429 HydrophobicContact CB-CD1 3.95Å; R125-F429 HydrophobicContact CB-CE1 4.04Å; R125-F429 HydrophobicContact CG-CD1 4.1Å; R125-F429 HydrophobicContact CG-CE1 4.09Å; R125-F429 HydrophobicContact CG-CG 4.42Å; R125-F429 HydrophobicContact CG-CZ 4.4Å; S151-F429 WeakPolarHBondContact O-CZ 3.48Å; G153-F429 VanDerWaalsContact CA-CZ 3.47Å; P184-F429 HydrophobicContact CB-CB 4.44Å; P184-F429 HydrophobicContact CB-CD2 3.5Å; P184-F429 VanDerWaalsContact CB-CD2 3.5Å; P184-F429 HydrophobicContact CB-CE2 3.84Å; P184-F429 HydrophobicContact CB-CG 4.05Å; P184-F429 HydrophobicContact CG-CD2 3.81Å; P184-F429 HydrophobicContact CG-CE2 3.92Å; L188-F429 HydrophobicContact CD1-CD1 4.24Å; L188-F429 HydrophobicContact CD1-CE1 4.43Å; L188-F429 HydrophobicContact CD2-CB 4.48Å; L188-F429 HydrophobicContact CD2-CD1 4.23Å; F429-H444 CarbonylContact O-C 3.49Å; F429-H444 VanDerWaalsContact O-CA 3.29Å; F429-H444 WeakPolarHBondContact O-CA 3.39Å; F429-V445 HydrophobicContact CB-CG2 3.57Å; F429-V445 PolarHBondContact O-N 3.37Å; F429-G446 PolarHBondContact N-O 2.96Å; F429-L448 HydrophobicContact CE2-CB 3.72Å; F429-L448 HydrophobicContact CZ-CB 4.16Å; F429-L448 HydrophobicContact CZ-CD2 4.44Å |
| 430 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 142.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N124 K443 | N124-G430 PolarHBondContact N-O 3.35Å; N124-G430 PolarHBondContact O-N 3.09Å; N124-G430 WeakPolarHBondContact OD1-CA 3.47Å; G430-K443 WeakPolarHBondContact CA-O 3.09Å |
| 431 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.4 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 109 | N73 G122 L123 L188 M441 N442 K443 V445 | N73-V431 PolarHBondContact ND2-O 2.76Å; G122-V431 WeakPolarHBondContact O-CA 3.46Å; L123-V431 HydrophobicContact CD2-CB 4.13Å; L123-V431 HydrophobicContact CD2-CG1 3.77Å; L123-V431 HydrophobicContact CD2-CG2 3.59Å; L188-V431 HydrophobicContact CD2-CG2 3.98Å; V431-M441 HydrophobicContact CG1-SD 3.73Å; V431-N442 CarbonylContact O-C 3.51Å; V431-N442 WeakPolarHBondContact O-CA 3.5Å; V431-K443 PolarHBondContact N-O 3.12Å; V431-K443 PolarHBondContact O-N 3.4Å; V431-V445 HydrophobicContact CB-CG1 4.02Å; V431-V445 HydrophobicContact CG2-CB 4.21Å; V431-V445 HydrophobicContact CG2-CG1 3.51Å; V431-V445 HydrophobicContact CG2-CG2 3.64Å |
| 432 | Y | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 151.8 | 166.3 | 70.8 | -95.5 | 0 | 0 | 0 | 111.9 | N73 V76 D77 L121 G122 T299 L439 M441 | N73-Y432 HydrophobicContact CB-CD1 3.82Å; N73-Y432 HydrophobicContact CB-CG 4.36Å; V76-Y432 HydrophobicContact CG1-CE1 4.32Å; D77-Y432 HydrophobicContact CB-CD2 4.36Å; D77-Y432 HydrophobicContact CB-CE2 3.86Å; L121-Y432 VanDerWaalsContact CA-O 3.27Å; L121-Y432 WeakPolarHBondContact CA-O 3.49Å; G122-Y432 PolarHBondContact N-O 3.24Å; G122-Y432 PolarHBondContact O-N 2.91Å; T299-Y432 WeakPolarHBondContact CG2-OH 3.41Å; Y432-L439 HydrophobicContact CD2-CD1 4.19Å; Y432-M441 CarbonylContact C-O 3.59Å; Y432-M441 WeakPolarHBondContact CA-O 3.46Å; Y432-M441 WeakPolarHBondContact CB-O 3.31Å |
| 433 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.9 | 173.9 | -174.8 | 0 | 0 | 0 | 0 | 108 | V119 F120 L121 G191 K194 A195 L198 V440 M441 | V119-V433 HydrophobicContact CG1-CG1 4.29Å; F120-V433 CarbonylContact O-C 3.5Å; F120-V433 VanDerWaalsContact O-CA 3.3Å; F120-V433 WeakPolarHBondContact O-CA 3.35Å; L121-V433 HydrophobicContact CB-CG2 4.06Å; G191-V433 WeakPolarHBondContact O-CG2 3.23Å; K194-V433 HydrophobicContact CB-CG2 4.2Å; K194-V433 HydrophobicContact CG-CB 4.37Å; K194-V433 HydrophobicContact CG-CG1 4.24Å; K194-V433 HydrophobicContact CG-CG2 4.36Å; A195-V433 HydrophobicContact CB-CG1 4.38Å; L198-V433 HydrophobicContact CD1-CG1 3.73Å; V433-V440 HydrophobicContact CB-CG2 4.04Å; V433-V440 HydrophobicContact CG1-CG2 3.91Å; V433-V440 WeakPolarHBondContact O-CG2 3.17Å; V433-V440 PolarHBondContact O-N 3.07Å; V433-M441 HydrophobicContact CB-CB 3.96Å; V433-M441 HydrophobicContact CG2-CB 4.13Å; V433-M441 HydrophobicContact CG2-SD 4.3Å; V433-M441 PolarHBondContact N-O 2.95Å; V433-M441 PolarHBondContact O-N 3.33Å |
| 434 | R | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133 | 178 | 169.1 | 169.7 | 56.4 | 71.9 | 2.8 | 109.2 | D77 F120 E436 T438 L439 | D77-R434 VanDerWaalsContact CG-NE 3.34Å; D77-R434 IonicContact OD1-CZ 3.29Å; D77-R434 VanDerWaalsContact OD1-CZ 3.27Å; D77-R434 IonicContact OD1-NE 3.04Å; D77-R434 PolarHBondContact OD1-NE 3.48Å; D77-R434 IonicContact OD1-NH2 3.37Å; D77-R434 PolarHBondContact OD1-NH2 3.39Å; D77-R434 WeakPolarHBondContact OD2-CD 3.34Å; D77-R434 IonicContact OD2-CZ 3.18Å; D77-R434 IonicContact OD2-NE 2.69Å; D77-R434 PolarHBondContact OD2-NE 3.18Å; F120-R434 HydrophobicContact CB-CB 4.28Å; F120-R434 VanDerWaalsContact CE2-NH1 3.32Å; F120-R434 VanDerWaalsContact CG-NH1 3.29Å; F120-R434 PolarHBondContact N-O 3.34Å; F120-R434 PolarHBondContact O-N 3.22Å; R434-E436 WeakPolarHBondContact CD-O 3.48Å; R434-E436 VanDerWaalsContact CG-O 3.28Å; R434-E436 WeakPolarHBondContact CG-O 3.13Å; R434-E436 PolarHBondContact NH1-O 3.22Å; R434-T438 CarbonylContact C-O 3.39Å; R434-T438 VanDerWaalsContact CA-O 3.28Å; R434-T438 WeakPolarHBondContact CA-O 3.4Å; R434-L439 HydrophobicContact CB-CD1 4.09Å |
| 435 | Q | 98.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 42.7 Ų | 42.7 | 38% | 0.379 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.8 | 167.9 | -172.4 | 176.8 | 30.1 | 0 | 0 | 107.6 | L198 K437 T438 V440 | L198-Q435 HydrophobicContact CD1-CB 4.44Å; Q435-K437 PolarHBondContact O-N 3.03Å; Q435-T438 PolarHBondContact N-O 2.97Å; Q435-T438 PolarHBondContact O-N 3.45Å; Q435-V440 HydrophobicContact CB-CG1 4.49Å |
| 436 | E | 97.2 | Very high | 98.6 | Very high | 105 Ų | 105 | 42 Ų | 42 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | -101.8 | -171 | -61.4 | -66.9 | 174.4 | 0 | 0 | 111.2 | T118 R434 | T118-E436 WeakPolarHBondContact CB-OE1 3.49Å; T118-E436 WeakPolarHBondContact CG2-OE1 3.31Å; T118-E436 PolarHBondContact O-N 3.39Å; R434-E436 WeakPolarHBondContact CD-O 3.48Å; R434-E436 VanDerWaalsContact CG-O 3.28Å; R434-E436 WeakPolarHBondContact CG-O 3.13Å; R434-E436 PolarHBondContact NH1-O 3.22Å |
| 437 | K | 97.4 | Very high | 98.6 | Very high | 187 Ų | 187 | 42 Ų | 42 | 81% | 0.813 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -3.9 | 179.8 | -61.1 | -179.4 | -178 | 178.7 | 0 | 113.5 | Q435 | Q435-K437 PolarHBondContact O-N 3.03Š|
| 438 | T | 98.4 | Very high | 98.6 | Very high | 94 Ų | 94 | 42 Ų | 42 | 58% | 0.577 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.2 | -172.8 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | R434 Q435 V440 | R434-T438 CarbonylContact C-O 3.39Å; R434-T438 VanDerWaalsContact CA-O 3.28Å; R434-T438 WeakPolarHBondContact CA-O 3.4Å; Q435-T438 PolarHBondContact N-O 2.97Å; Q435-T438 PolarHBondContact O-N 3.45Å; T438-V440 HydrophobicContact CG2-CG1 4.27Å; T438-V440 PolarHBondContact O-N 3.32Å |
| 439 | L | 98.4 | Very high | 98.6 | Very high | 59 Ų | 59 | 42 Ų | 42 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 110.5 | 173.4 | -161.8 | 65.3 | 0 | 0 | 0 | 109.5 | L74 Y432 R434 N442 | L74-L439 HydrophobicContact CD2-CD2 3.41Å; L74-L439 VanDerWaalsContact CD2-CD2 3.41Å; Y432-L439 HydrophobicContact CD2-CD1 4.19Å; R434-L439 HydrophobicContact CB-CD1 4.09Å; L439-N442 HydrophobicContact CD2-CB 3.77Å; L439-N442 HydrophobicContact CG-CB 4.26Å |
| 440 | V | 98.6 | Very high | 98.6 | Very high | 62 Ų | 62 | 43 Ų | 43 | 38% | 0.376 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -15.1 | -175.4 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | L198 V433 Q435 T438 | L198-V440 HydrophobicContact CD1-CG2 3.71Å; V433-V440 HydrophobicContact CB-CG2 4.04Å; V433-V440 HydrophobicContact CG1-CG2 3.91Å; V433-V440 WeakPolarHBondContact O-CG2 3.17Å; V433-V440 PolarHBondContact O-N 3.07Å; Q435-V440 HydrophobicContact CB-CG1 4.49Å; T438-V440 HydrophobicContact CG2-CG1 4.27Å; T438-V440 PolarHBondContact O-N 3.32Å |
| 441 | M | 98.8 | Very high | 98.6 | Very high | 31 Ų | 31 | 43 Ų | 43 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 135.2 | 170.4 | -175.1 | -179.9 | -68.6 | 0 | 0 | 109.2 | K194 V431 Y432 V433 K443 | K194-M441 HydrophobicContact CB-CE 3.71Å; K194-M441 HydrophobicContact CG-CE 3.93Å; V431-M441 HydrophobicContact CG1-SD 3.73Å; Y432-M441 CarbonylContact C-O 3.59Å; Y432-M441 WeakPolarHBondContact CA-O 3.46Å; Y432-M441 WeakPolarHBondContact CB-O 3.31Å; V433-M441 HydrophobicContact CB-CB 3.96Å; V433-M441 HydrophobicContact CG2-CB 4.13Å; V433-M441 HydrophobicContact CG2-SD 4.3Å; V433-M441 PolarHBondContact N-O 2.95Å; V433-M441 PolarHBondContact O-N 3.33Å; M441-K443 HydrophobicContact CG-CD 4.39Å; M441-K443 HydrophobicContact CG-CG 4.31Å |
| 442 | N | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 112.1 | 168.6 | -178 | 1.4 | 0 | 0 | 0 | 108.5 | M70 N73 V431 L439 | M70-N442 WeakPolarHBondContact CA-OD1 3.12Å; M70-N442 PolarHBondContact O-ND2 3.39Å; N73-N442 VanDerWaalsContact CB-OD1 3.23Å; N73-N442 WeakPolarHBondContact CB-OD1 3.33Å; N73-N442 PolarHBondContact ND2-OD1 3.5Å; V431-N442 CarbonylContact O-C 3.51Å; V431-N442 WeakPolarHBondContact O-CA 3.5Å; L439-N442 HydrophobicContact CD2-CB 3.77Å; L439-N442 HydrophobicContact CG-CB 4.26Å |
| 443 | K | 98.8 | Very high | 98.3 | Very high | 112 Ų | 112 | 43.7 Ų | 43.7 | 49% | 0.487 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 154.4 | -172.9 | -66.1 | -173.5 | 175.4 | -177.7 | 0 | 111.8 | N73 G430 V431 M441 V445 | N73-K443 PolarHBondContact ND2-O 2.96Å; N73-K443 VanDerWaalsContact ND2-O 3.12Å; G430-K443 WeakPolarHBondContact CA-O 3.09Å; V431-K443 PolarHBondContact N-O 3.12Å; V431-K443 PolarHBondContact O-N 3.4Å; M441-K443 HydrophobicContact CG-CD 4.39Å; M441-K443 HydrophobicContact CG-CG 4.31Å; K443-V445 HydrophobicContact CB-CG1 4.25Å |
| 444 | H | 98.7 | Very high | 98 | Very high | 81 Ų | 81 | 47.3 Ų | 47.3 | 38% | 0.375 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 144.7 | 150.2 | 55.1 | 70.3 | 0 | 0 | 0 | 109.4 | Y66 Q69 I428 F429 | Y66-H444 HydrophobicContact CD1-CB 4.05Å; Y66-H444 AromaticContact CD1-CG 3.73Å; Y66-H444 AromaticContact CD1-ND1 3.67Å; Y66-H444 HydrophobicContact CE1-CB 4.48Å; Y66-H444 AromaticContact CE1-ND1 4Å; Y66-H444 PolarHBondContact O-CD2 3.2Å; Q69-H444 HydrophobicContact CB-CB 3.93Å; Q69-H444 HydrophobicContact CG-CB 3.83Å; I428-H444 HydrophobicContact CG2-CB 4.08Å; F429-H444 CarbonylContact O-C 3.49Å; F429-H444 VanDerWaalsContact O-CA 3.29Å; F429-H444 WeakPolarHBondContact O-CA 3.39Å |
| 445 | V | 98.8 | Very high | 97.4 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 16% | 0.164 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | -3.2 | -173.3 | -63.3 | 0 | 0 | 0 | 0 | 115.2 | P184 L188 F429 V431 K443 | P184-V445 WeakPolarHBondContact CA-O 3.43Å; L188-V445 HydrophobicContact CD2-CG2 4.18Å; L188-V445 HydrophobicContact CG-CG2 4.17Å; F429-V445 HydrophobicContact CB-CG2 3.57Å; F429-V445 PolarHBondContact O-N 3.37Å; V431-V445 HydrophobicContact CB-CG1 4.02Å; V431-V445 HydrophobicContact CG2-CB 4.21Å; V431-V445 HydrophobicContact CG2-CG1 3.51Å; V431-V445 HydrophobicContact CG2-CG2 3.64Å; K443-V445 HydrophobicContact CB-CG1 4.25Å |
| 446 | G | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.5 | -173 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N182 F429 | N182-G446 WeakPolarHBondContact OD1-CA 3.46Å; F429-G446 PolarHBondContact N-O 2.96Å |
| 447 | H | 98.9 | Very high | 96 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 169.8 | -180 | 56.9 | -104 | 0 | 0 | 0 | 111.8 | Y66 N182 L426 G427 I428 P471 | Y66-H447 AromaticContact CZ-ND1 3.76Å; Y66-H447 PolarHBondContact OH-ND1 3.32Å; N182-H447 PolarHBondContact ND2-O 3.01Å; N182-H447 PolarHBondContact OD1-N 2.79Å; L426-H447 HydrophobicContact CD1-CB 4.19Å; G427-H447 CarbonylContact O-C 3.53Å; G427-H447 WeakPolarHBondContact O-CA 3.49Å; I428-H447 HydrophobicContact CD1-CB 3.82Å; H447-P471 WeakPolarHBondContact NE2-CD 3.39Å |
| 448 | L | 98.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 123.6 | 166.9 | 167.4 | 68.1 | 0 | 0 | 0 | 106.5 | F152 A156 G427 F429 R450 L468 | F152-L448 HydrophobicContact CB-CD1 4.12Å; F152-L448 HydrophobicContact CB-CD2 3.86Å; A156-L448 HydrophobicContact CB-CD1 4Å; G427-L448 PolarHBondContact N-O 3.16Å; G427-L448 PolarHBondContact O-N 3.37Å; F429-L448 HydrophobicContact CE2-CB 3.72Å; F429-L448 HydrophobicContact CZ-CB 4.16Å; F429-L448 HydrophobicContact CZ-CD2 4.44Å; L448-R450 HydrophobicContact CD1-CG 4.3Å; L448-R450 HydrophobicContact CD2-CG 3.85Å; L448-R450 HydrophobicContact CG-CG 3.92Å; L448-L468 HydrophobicContact CD1-CD2 3.75Å |
| 449 | L | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.6 | 165 | -164.9 | 68.9 | 0 | 0 | 0 | 107.9 | V57 L426 D469 P471 | V57-L449 HydrophobicContact CG2-CD1 4.16Å; V57-L449 HydrophobicContact CG2-CD2 3.98Å; L426-L449 HydrophobicContact CB-CD1 4.01Å; L426-L449 HydrophobicContact CD1-CD1 4.31Å; L449-D469 HydrophobicContact CB-CB 3.95Å; L449-D469 HydrophobicContact CD2-CB 4.02Å; L449-D469 HydrophobicContact CG-CB 4.03Å; L449-D469 PolarHBondContact O-N 2.94Å; L449-P471 HydrophobicContact CD2-CB 4.41Å |
| 450 | R | 98.3 | Very high | 92.9 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.8 | 171 | -71.8 | 177.7 | -69.9 | 144.6 | 3.4 | 107.9 | D127 S424 E425 L448 V461 A466 V467 | D127-R450 IonicContact OD1-CZ 3.82Å; D127-R450 IonicContact OD1-NH2 3.31Å; D127-R450 PolarHBondContact OD1-NH2 2.66Å; D127-R450 IonicContact OD2-NH2 3.78Å; D127-R450 PolarHBondContact OD2-NH2 2.79Å; D127-R450 VanDerWaalsContact OD2-NH2 3.12Å; S424-R450 CarbonylContact C-O 3.52Å; S424-R450 VanDerWaalsContact CA-O 3.28Å; S424-R450 WeakPolarHBondContact CA-O 3.24Å; E425-R450 PolarHBondContact N-O 3.11Å; E425-R450 PolarHBondContact O-N 2.98Å; E425-R450 IonicContact OE1-CZ 3.99Å; E425-R450 IonicContact OE1-NH1 3.08Å; E425-R450 IonicContact OE1-NH2 3.33Å; E425-R450 PolarHBondContact OE1-NH2 3.3Å; E425-R450 IonicContact OE2-NH2 3.7Å; L448-R450 HydrophobicContact CD1-CG 4.3Å; L448-R450 HydrophobicContact CD2-CG 3.85Å; L448-R450 HydrophobicContact CG-CG 3.92Å; R450-V461 HydrophobicContact CG-CG2 4.09Å; R450-A466 HydrophobicContact CB-CB 4.17Å; R450-V467 WeakPolarHBondContact CA-O 3.38Å |
| 451 | T | 98.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.3 | -178.5 | -63.7 | 0 | 0 | 0 | 0 | 109.5 | T51 F406 C422 I423 S424 A466 V467 D469 | T51-T451 HydrophobicContact CG2-CG2 3.95Å; F406-T451 HydrophobicContact CE2-CG2 4.29Å; F406-T451 HydrophobicContact CZ-CG2 3.98Å; C422-T451 HydrophobicContact CB-CG2 3.6Å; I423-T451 WeakPolarHBondContact O-CA 3.43Å; S424-T451 PolarHBondContact OG-OG1 3.1Å; T451-A466 CarbonylContact O-C 3.48Å; T451-A466 WeakPolarHBondContact O-CA 3.16Å; T451-V467 PolarHBondContact N-O 3.15Å; T451-V467 WeakPolarHBondContact O-CG2 3.44Å; T451-V467 PolarHBondContact O-N 2.91Å; T451-D469 WeakPolarHBondContact CB-OD2 3.35Å; T451-D469 WeakPolarHBondContact OG1-CB 3.12Å; T451-D469 PolarHBondContact OG1-OD2 3.35Å |
| 452 | K | 96.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 156.7 | 178.8 | 61.8 | 172.8 | 177 | 166.1 | 0 | 110.6 | C422 I423 H456 A457 D458 V465 A466 | C422-K452 WeakPolarHBondContact CA-O 3.41Å; I423-K452 HydrophobicContact CG1-CG 4.07Å; I423-K452 PolarHBondContact N-O 2.89Å; I423-K452 PolarHBondContact O-N 3.44Å; K452-H456 HydrophobicContact CD-CB 4.24Å; K452-H456 WeakPolarHBondContact CE-O 3.25Å; K452-H456 PolarHBondContact NZ-O 2.75Å; K452-A457 PolarHBondContact NZ-O 3.41Å; K452-D458 WeakPolarHBondContact CD-O 3.44Å; K452-D458 PolarHBondContact NZ-O 2.82Å; K452-V465 HydrophobicContact CB-CG1 4.27Å; K452-V465 HydrophobicContact CD-CG1 4.25Å; K452-A466 HydrophobicContact CB-CB 4.33Å |
| 453 | A | 95.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 145.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L410 V420 Q421 E455 H456 | L410-A453 HydrophobicContact CD1-CB 4.03Å; V420-A453 HydrophobicContact CB-CB 4.41Å; V420-A453 HydrophobicContact CG2-CB 3.94Å; Q421-A453 WeakPolarHBondContact O-CA 3.2Å; A453-E455 VanDerWaalsContact C-N 3.29Å; A453-E455 VanDerWaalsContact CB-OE1 3.25Å; A453-E455 WeakPolarHBondContact CB-OE1 3.41Å; A453-E455 WeakPolarHBondContact CB-OE2 3.47Å; A453-E455 PolarHBondContact O-N 3.29Å; A453-H456 PolarHBondContact O-N 3.04Å |
| 454 | I | 93 | Very high | 88.2 | Confident | 75 Ų | 75 | 32.8 Ų | 32.8 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -26.6 | -169.4 | -169.6 | 158.9 | 0 | 0 | 0 | 114.2 | P405 Q421 H456 | P405-I454 HydrophobicContact CB-CD1 3.72Å; P405-I454 HydrophobicContact CG-CD1 3.31Å; Q421-I454 HydrophobicContact CB-CB 4.39Å; Q421-I454 HydrophobicContact CB-CG2 3.89Å; Q421-I454 PolarHBondContact O-N 2.74Å; I454-H456 PolarHBondContact O-N 3.17Å |
| 455 | E | 87.6 | Confident | 87.6 | Confident | 121 Ų | 121 | 30.2 Ų | 30.2 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.3 | 177.4 | 65.3 | -87.6 | -156.7 | 0 | 0 | 112.8 | A453 A457 | A453-E455 VanDerWaalsContact C-N 3.29Å; A453-E455 VanDerWaalsContact CB-OE1 3.25Å; A453-E455 WeakPolarHBondContact CB-OE1 3.41Å; A453-E455 WeakPolarHBondContact CB-OE2 3.47Å; A453-E455 PolarHBondContact O-N 3.29Å; E455-A457 PolarHBondContact O-N 2.9Å |
| 456 | H | 85.4 | Confident | 87.3 | Confident | 77 Ų | 77 | 29.1 Ų | 29.1 | 36% | 0.356 | 19% | 0.186 | S | C | . | . | trans | -86.4 | 114.1 | 179.9 | -65.4 | -55.1 | 0 | 0 | 0 | 111.6 | K452 A453 I454 V465 | K452-H456 HydrophobicContact CD-CB 4.24Å; K452-H456 WeakPolarHBondContact CE-O 3.25Å; K452-H456 PolarHBondContact NZ-O 2.75Å; A453-H456 PolarHBondContact O-N 3.04Å; I454-H456 PolarHBondContact O-N 3.17Å; H456-V465 HydrophobicContact CB-CG1 3.51Å | ||
| 457 | A | 79.8 | Confident | 87.3 | Confident | 47 Ų | 47 | 28.9 Ų | 28.9 | 39% | 0.388 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -69 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y375 K452 E455 | Y375-A457 HydrophobicContact CD1-CB 4.03Å; Y375-A457 HydrophobicContact CD2-CB 3.57Å; Y375-A457 HydrophobicContact CE1-CB 4.35Å; Y375-A457 HydrophobicContact CE2-CB 3.94Å; Y375-A457 HydrophobicContact CG-CB 3.63Å; Y375-A457 PolarHBondContact OH-O 3.03Å; K452-A457 PolarHBondContact NZ-O 3.41Å; E455-A457 PolarHBondContact O-N 2.9Å |
| 458 | D | 80.3 | Confident | 87.3 | Confident | 30 Ų | 30 | 28.9 Ų | 28.9 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -88 | 179.6 | 175.5 | -146.8 | -29.7 | 0 | 0 | 0 | 112.2 | G371 N372 N373 Y375 K452 V465 | G371-D458 WeakPolarHBondContact CA-OD2 3.26Å; G371-D458 VanDerWaalsContact N-CG 3.32Å; G371-D458 PolarHBondContact N-OD2 2.84Å; N372-D458 PolarHBondContact N-OD2 3.45Å; N372-D458 VanDerWaalsContact N-OD2 3.15Å; N373-D458 PolarHBondContact N-OD2 3.36Å; Y375-D458 HydrophobicContact CE2-CB 4.04Å; K452-D458 WeakPolarHBondContact CD-O 3.44Å; K452-D458 PolarHBondContact NZ-O 2.82Å; D458-V465 WeakPolarHBondContact O-CG1 3.45Å |
| 459 | G | 77.3 | Confident | 87.3 | Confident | 8 Ų | 8 | 29 Ų | 29 | 8% | 0.082 | 18% | 0.184 | C | C | . | . | trans | -140.1 | -159.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 460 | G | 72.8 | Confident | 87.3 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | trans | 97.6 | 127.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G464 V465 A466 | G460-G464 PolarHBondContact O-N 3Å; G460-V465 PolarHBondContact O-N 2.83Å; G460-V465 VanDerWaalsContact O-N 3.11Å; G460-A466 PolarHBondContact O-N 3.06Å; G460-A466 VanDerWaalsContact O-N 3.09Å | ||
| 461 | V | 72.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -42.2 | 178.1 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | F152 R450 A463 G464 A466 L468 | F152-V461 HydrophobicContact CD2-CB 4.43Å; F152-V461 HydrophobicContact CE1-CB 4.1Å; F152-V461 HydrophobicContact CE1-CG1 3.78Å; F152-V461 HydrophobicContact CE2-CB 3.76Å; F152-V461 HydrophobicContact CE2-CG1 4.35Å; F152-V461 HydrophobicContact CZ-CB 3.57Å; F152-V461 HydrophobicContact CZ-CG1 3.66Å; R450-V461 HydrophobicContact CG-CG2 4.09Å; V461-A463 PolarHBondContact O-N 3.28Å; V461-G464 PolarHBondContact O-N 2.98Å; V461-A466 WeakPolarHBondContact CA-O 3.36Å; V461-A466 HydrophobicContact CG2-CB 4.08Å; V461-L468 HydrophobicContact CG2-CD2 4.22Å |
| 462 | A | 68.1 | Low | 87.3 | Confident | 75 Ų | 75 | 28.4 Ų | 28.4 | 62% | 0.62 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -29.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F152 G464 | F152-A462 HydrophobicContact CE2-CB 4.37Å; F152-A462 HydrophobicContact CZ-CB 4.22Å; A462-G464 PolarHBondContact O-N 3.11Å |
| 463 | A | 73.6 | Confident | 87.3 | Confident | 48 Ų | 48 | 29 Ų | 29 | 40% | 0.397 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -2.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V461 V465 | V461-A463 PolarHBondContact O-N 3.28Å; A463-V465 VanDerWaalsContact C-N 3.34Å |
| 464 | G | 80.1 | Confident | 87.3 | Confident | 40 Ų | 40 | 33.9 Ų | 33.9 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 5.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R412 G460 V461 A462 | R412-G464 PolarHBondContact NH1-O 3.26Å; R412-G464 VanDerWaalsContact NH1-O 3.12Å; G460-G464 PolarHBondContact O-N 3Å; V461-G464 PolarHBondContact O-N 2.98Å; A462-G464 PolarHBondContact O-N 3.11Å |
| 465 | V | 86.4 | Confident | 87 | Confident | 28 Ų | 28 | 31.8 Ų | 31.8 | 17% | 0.17 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -93.6 | -68.4 | -177.1 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | R412 K452 H456 D458 G460 A463 | R412-V465 PolarHBondContact NH2-O 3.24Å; K452-V465 HydrophobicContact CB-CG1 4.27Å; K452-V465 HydrophobicContact CD-CG1 4.25Å; H456-V465 HydrophobicContact CB-CG1 3.51Å; D458-V465 WeakPolarHBondContact O-CG1 3.45Å; G460-V465 PolarHBondContact O-N 2.83Å; G460-V465 VanDerWaalsContact O-N 3.11Å; A463-V465 VanDerWaalsContact C-N 3.34Å |
| 466 | A | 92.8 | Very high | 87 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | trans | -74.1 | 163.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R450 T451 K452 G460 V461 | R450-A466 HydrophobicContact CB-CB 4.17Å; T451-A466 CarbonylContact O-C 3.48Å; T451-A466 WeakPolarHBondContact O-CA 3.16Å; K452-A466 HydrophobicContact CB-CB 4.33Å; G460-A466 PolarHBondContact O-N 3.06Å; G460-A466 VanDerWaalsContact O-N 3.09Å; V461-A466 WeakPolarHBondContact CA-O 3.36Å; V461-A466 HydrophobicContact CG2-CB 4.08Å | ||
| 467 | V | 97.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 160.3 | 172.7 | -51.4 | 0 | 0 | 0 | 0 | 109.9 | P49 T51 L410 R450 T451 | P49-V467 HydrophobicContact CB-CB 3.98Å; P49-V467 HydrophobicContact CB-CG1 3.61Å; T51-V467 HydrophobicContact CG2-CG2 3.57Å; L410-V467 HydrophobicContact CB-CG1 4.49Å; L410-V467 HydrophobicContact CD2-CG1 4.49Å; L410-V467 HydrophobicContact CD2-CG2 3.71Å; R450-V467 WeakPolarHBondContact CA-O 3.38Å; T451-V467 PolarHBondContact N-O 3.15Å; T451-V467 WeakPolarHBondContact O-CG2 3.44Å; T451-V467 PolarHBondContact O-N 2.91Å |
| 468 | L | 98.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 143.3 | 174 | -60.1 | 176.3 | 0 | 0 | 0 | 111 | V31 A48 P49 F50 T51 F152 L155 T159 L448 V461 | V31-L468 HydrophobicContact CG1-CD1 4.02Å; A48-L468 HydrophobicContact CB-CD1 3.87Å; P49-L468 PolarHBondContact O-N 3.45Å; F50-L468 CarbonylContact C-O 3.51Å; F50-L468 WeakPolarHBondContact CA-O 3.4Å; F50-L468 HydrophobicContact CB-CB 4.11Å; F50-L468 WeakPolarHBondContact CB-O 3.1Å; T51-L468 PolarHBondContact N-O 3.37Å; F152-L468 HydrophobicContact CB-CD2 4.18Å; F152-L468 HydrophobicContact CD1-CD2 3.97Å; F152-L468 HydrophobicContact CG-CD2 4.17Å; L155-L468 HydrophobicContact CB-CD1 3.81Å; L155-L468 HydrophobicContact CD1-CD1 4.17Å; T159-L468 HydrophobicContact CG2-CB 4.17Å; T159-L468 HydrophobicContact CG2-CD1 4.04Å; L448-L468 HydrophobicContact CD1-CD2 3.75Å; V461-L468 HydrophobicContact CG2-CD2 4.22Å |
| 469 | D | 98.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 172.4 | -179.1 | -159.5 | -8.6 | 0 | 0 | 0 | 110.6 | T51 P54 S55 H163 L449 T451 | T51-D469 HydrophobicContact CG2-CB 4.03Å; T51-D469 WeakPolarHBondContact CG2-OD2 3.41Å; T51-D469 PolarHBondContact OG1-OD1 2.83Å; P54-D469 WeakPolarHBondContact CA-OD1 3.35Å; S55-D469 WeakPolarHBondContact CB-OD2 3.26Å; S55-D469 PolarHBondContact N-OD1 2.9Å; S55-D469 VanDerWaalsContact N-OD1 3.13Å; S55-D469 PolarHBondContact OG-OD2 2.97Å; H163-D469 IonicContact CE1-OD1 3.97Å; H163-D469 PolarHBondContact CE1-OD1 3.46Å; L449-D469 HydrophobicContact CB-CB 3.95Å; L449-D469 HydrophobicContact CD2-CB 4.02Å; L449-D469 HydrophobicContact CG-CB 4.03Å; L449-D469 PolarHBondContact O-N 2.94Å; T451-D469 WeakPolarHBondContact CB-OD2 3.35Å; T451-D469 WeakPolarHBondContact OG1-CB 3.12Å; T451-D469 PolarHBondContact OG1-OD2 3.35Å |
| 470 | N | 98.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | trans | -127 | 140.1 | 171 | -71 | -78.1 | 0 | 0 | 0 | 110.5 | P54 S55 T159 P160 H163 Y472 | P54-N470 CarbonylContact C-O 3.57Å; P54-N470 WeakPolarHBondContact CA-O 3.33Å; P54-N470 HydrophobicContact CB-CB 4.15Å; P54-N470 VanDerWaalsContact CB-O 3.31Å; P54-N470 WeakPolarHBondContact CB-O 3.23Å; S55-N470 PolarHBondContact N-O 3.04Å; T159-N470 WeakPolarHBondContact CB-ND2 3.34Å; T159-N470 PolarHBondContact O-ND2 3.45Å; T159-N470 PolarHBondContact OG1-ND2 3.43Å; P160-N470 WeakPolarHBondContact CG-OD1 3.32Å; H163-N470 WeakPolarHBondContact ND1-CB 3.22Å; H163-N470 PolarHBondContact ND1-ND2 3.03Å; N470-Y472 PolarHBondContact O-N 3.49Å | ||
| 471 | P | 98.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | trans | -69.6 | 122 | 173.4 | 30.2 | -32.7 | 0 | 0 | 0 | 109.5 | V57 L62 L180 H447 L449 P473 | V57-P471 HydrophobicContact CB-CB 3.9Å; V57-P471 HydrophobicContact CG1-CB 4.44Å; V57-P471 HydrophobicContact CG2-CB 3.7Å; L62-P471 HydrophobicContact CD2-CB 4.33Å; L62-P471 HydrophobicContact CD2-CG 4.33Å; L180-P471 HydrophobicContact CD1-CG 4.34Å; H447-P471 WeakPolarHBondContact NE2-CD 3.39Å; L449-P471 HydrophobicContact CD2-CB 4.41Å; P471-P473 WeakPolarHBondContact O-CD 3.33Å | ||
| 472 | Y | 98.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 105.8 | 165.8 | -169.7 | -88.5 | 0 | 0 | 0 | 108.5 | T3 W5 P54 S55 L56 V57 E175 K178 I179 N470 V474 | T3-Y472 HydrophobicContact CG2-CE1 4.05Å; W5-Y472 HydrophobicContact CH2-CD2 4.38Å; W5-Y472 HydrophobicContact CH2-CE2 4.25Å; W5-Y472 HydrophobicContact CZ2-CD1 4.37Å; W5-Y472 HydrophobicContact CZ2-CD2 4.11Å; W5-Y472 HydrophobicContact CZ2-CE2 4.4Å; W5-Y472 HydrophobicContact CZ2-CG 4.07Å; P54-Y472 HydrophobicContact CG-CD2 3.83Å; P54-Y472 HydrophobicContact CG-CG 4.38Å; P54-Y472 WeakPolarHBondContact O-CB 3.39Å; S55-Y472 PolarHBondContact O-N 3.17Å; L56-Y472 WeakPolarHBondContact CA-O 3.41Å; L56-Y472 HydrophobicContact CD2-CD1 3.58Å; L56-Y472 HydrophobicContact CD2-CE1 4.32Å; L56-Y472 HydrophobicContact CD2-CG 4.16Å; V57-Y472 PolarHBondContact N-O 3.39Å; E175-Y472 WeakPolarHBondContact CA-OH 3.47Å; E175-Y472 HydrophobicContact CB-CE2 4.1Å; E175-Y472 WeakPolarHBondContact CB-OH 3.49Å; E175-Y472 WeakPolarHBondContact CG-OH 3.42Å; E175-Y472 WeakPolarHBondContact O-CE2 3.19Å; K178-Y472 HydrophobicContact CB-CE2 3.92Å; K178-Y472 HydrophobicContact CD-CE1 4.46Å; K178-Y472 WeakPolarHBondContact CD-OH 3.3Å; I179-Y472 HydrophobicContact CG1-CD2 4.49Å; N470-Y472 PolarHBondContact O-N 3.49Å; Y472-V474 HydrophobicContact CD1-CG1 4Å; Y472-V474 HydrophobicContact CE1-CG1 4.37Å; Y472-V474 PolarHBondContact O-N 3.33Å |
| 473 | P | 97.4 | Very high | 93 | Very high | 28 Ų | 28 | 21.8 Ų | 21.8 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.4 | -173.8 | -18.9 | 33.1 | 0 | 0 | 0 | 110.9 | V57 S59 L180 P471 | V57-P473 WeakPolarHBondContact O-CA 3.37Å; S59-P473 WeakPolarHBondContact OG-CB 3.43Å; L180-P473 HydrophobicContact CD1-CG 3.97Å; L180-P473 HydrophobicContact CD2-CG 4Å; L180-P473 HydrophobicContact CG-CG 3.9Å; P471-P473 WeakPolarHBondContact O-CD 3.33Å |
| 474 | V | 94.6 | Very high | 94.8 | Very high | 104 Ų | 104 | 19.5 Ų | 19.5 | 63% | 0.63 | 13% | 0.134 | S | C | * | . | trans | -119 | 0 | 174.7 | -66 | 0 | 0 | 0 | 0 | 113 | L56 V57 S59 Y472 | L56-V474 HydrophobicContact CB-CG1 4.03Å; L56-V474 HydrophobicContact CB-CG2 4.17Å; L56-V474 HydrophobicContact CD1-CG1 4.29Å; L56-V474 HydrophobicContact CD2-CG1 3.81Å; L56-V474 HydrophobicContact CG-CG1 4.25Å; V57-V474 PolarHBondContact O-N 3.1Å; S59-V474 WeakPolarHBondContact CB-O 3.37Å; S59-V474 PolarHBondContact N-O 3.28Å; S59-V474 PolarHBondContact OG-N 2.69Å; S59-V474 PolarHBondContact OG-O 2.92Å; Y472-V474 HydrophobicContact CD1-CG1 4Å; Y472-V474 HydrophobicContact CE1-CG1 4.37Å; Y472-V474 PolarHBondContact O-N 3.33Å |
Retrieved 474 of 474 residues in 366.1 ms
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