| 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 | 51 | Low | 79.4 | Confident | 220 Ų | 220 | 92.5 Ų | 92.5 | 100% | 1.084 | 49% | 0.488 | S | S | * | . | 0 | 126.1 | 0 | -82.2 | 170.3 | 117.4 | 0 | 0 | 106.6 | D3 | M1-D3 PolarHBondContact O-N 2.9Š| |||
| 2 | I | 58.1 | Low | 80 | Confident | 157 Ų | 157 | 89.7 Ų | 89.7 | 81% | 0.805 | 47% | 0.473 | S | S | * | . | trans | -67.3 | 116.7 | 176.7 | -62.6 | 168.1 | 0 | 0 | 0 | 106.2 | I4 | I2-I4 VanDerWaalsContact C-N 3.27Å; I2-I4 HydrophobicContact CG2-CG1 4.05Å; I2-I4 PolarHBondContact O-N 2.67Å | ||
| 3 | D | 75.6 | Confident | 80.4 | Confident | 132 Ų | 132 | 82.8 Ų | 82.8 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | trans | -75 | 84 | 179 | -118.6 | -31.3 | 0 | 0 | 0 | 108.8 | M1 P5 K30 | M1-D3 PolarHBondContact O-N 2.9Å; D3-P5 WeakPolarHBondContact O-CD 3.3Å; D3-K30 IonicContact OD1-NZ 3.3Å; D3-K30 PolarHBondContact OD1-NZ 2.87Å | ||
| 4 | I | 81.1 | Confident | 80.5 | Confident | 49 Ų | 49 | 81.1 Ų | 81.1 | 25% | 0.251 | 43% | 0.427 | S | S | . | . | trans | -71.5 | 125.8 | 178 | -57.7 | 172.9 | 0 | 0 | 0 | 107.8 | I2 I8 L9 K30 | I2-I4 VanDerWaalsContact C-N 3.27Å; I2-I4 HydrophobicContact CG2-CG1 4.05Å; I2-I4 PolarHBondContact O-N 2.67Å; I4-I8 HydrophobicContact CG2-CB 3.75Å; I4-I8 HydrophobicContact CG2-CG2 3.76Å; I4-L9 HydrophobicContact CB-CD2 4.32Å; I4-L9 HydrophobicContact CB-CG 4.28Å; I4-L9 HydrophobicContact CD1-CD2 4.43Å; I4-L9 HydrophobicContact CG2-CD2 4.03Å; I4-L9 HydrophobicContact CG2-CG 3.9Å; I4-K30 WeakPolarHBondContact O-CE 3.38Å; I4-K30 PolarHBondContact O-NZ 2.79Å | ||
| 5 | P | 87.8 | Confident | 80.5 | Confident | 68 Ų | 68 | 85.7 Ų | 85.7 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | trans | -57.9 | 147.9 | 174.8 | -24.3 | 33.4 | 0 | 0 | 0 | 112.7 | D3 S7 I8 L9 | D3-P5 WeakPolarHBondContact O-CD 3.3Å; P5-S7 VanDerWaalsContact C-N 3.25Å; P5-S7 PolarHBondContact O-N 3.26Å; P5-I8 HydrophobicContact CB-CG1 4.45Å; P5-I8 HydrophobicContact CG-CD1 4.26Å; P5-I8 PolarHBondContact O-N 3.05Å; P5-L9 PolarHBondContact O-N 3.29Å | ||
| 6 | D | 85.3 | Confident | 80.5 | Confident | 81 Ų | 81 | 83 Ų | 83 | 43% | 0.433 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -35.8 | -176.8 | -63.6 | -10.1 | 0 | 0 | 0 | 112 | I8 L9 E10 K30 V34 | D6-I8 VanDerWaalsContact C-N 3.28Å; D6-I8 PolarHBondContact O-N 3.19Å; D6-L9 CarbonylContact O-C 3.54Å; D6-L9 PolarHBondContact O-N 3.5Å; D6-L9 VanDerWaalsContact O-N 3.12Å; D6-E10 WeakPolarHBondContact O-CG 3.47Å; D6-E10 PolarHBondContact O-N 3.21Å; D6-K30 VanDerWaalsContact OD1-CE 3.31Å; D6-K30 WeakPolarHBondContact OD1-CE 3.42Å; D6-V34 HydrophobicContact CB-CG2 3.96Å |
| 7 | S | 86.8 | Confident | 80.1 | Confident | 72 Ų | 72 | 80.5 Ų | 80.5 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.2 | -34.2 | 175.8 | 58 | 0 | 0 | 0 | 0 | 113.7 | P5 Q11 | P5-S7 VanDerWaalsContact C-N 3.25Å; P5-S7 PolarHBondContact O-N 3.26Å; S7-Q11 WeakPolarHBondContact O-CG 3.41Å; S7-Q11 PolarHBondContact O-N 3.47Å |
| 8 | I | 86.9 | Confident | 79.4 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 41% | 0.405 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -75.4 | -40.1 | 175.9 | -59.4 | -173.7 | 0 | 0 | 0 | 110 | I4 P5 D6 E10 Q11 I12 | I4-I8 HydrophobicContact CG2-CB 3.75Å; I4-I8 HydrophobicContact CG2-CG2 3.76Å; P5-I8 HydrophobicContact CB-CG1 4.45Å; P5-I8 HydrophobicContact CG-CD1 4.26Å; P5-I8 PolarHBondContact O-N 3.05Å; D6-I8 VanDerWaalsContact C-N 3.28Å; D6-I8 PolarHBondContact O-N 3.19Å; I8-E10 VanDerWaalsContact C-N 3.33Å; I8-Q11 PolarHBondContact O-N 3.07Å; I8-I12 HydrophobicContact CG2-CD1 4.18Å; I8-I12 WeakPolarHBondContact O-CG1 3.29Å; I8-I12 PolarHBondContact O-N 3.37Å |
| 9 | L | 87.2 | Confident | 78.7 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.6 | -69.7 | 175.4 | 0 | 0 | 0 | 111.2 | I4 P5 D6 Q11 I12 F13 K30 W31 V34 | I4-L9 HydrophobicContact CB-CD2 4.32Å; I4-L9 HydrophobicContact CB-CG 4.28Å; I4-L9 HydrophobicContact CD1-CD2 4.43Å; I4-L9 HydrophobicContact CG2-CD2 4.03Å; I4-L9 HydrophobicContact CG2-CG 3.9Å; P5-L9 PolarHBondContact O-N 3.29Å; D6-L9 CarbonylContact O-C 3.54Å; D6-L9 PolarHBondContact O-N 3.5Å; D6-L9 VanDerWaalsContact O-N 3.12Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 PolarHBondContact O-N 3.24Å; L9-I12 HydrophobicContact CD2-CD1 4.22Å; L9-I12 WeakPolarHBondContact O-CB 3.5Å; L9-I12 PolarHBondContact O-N 3.14Å; L9-I12 VanDerWaalsContact O-N 3.13Å; L9-F13 WeakPolarHBondContact O-CD2 3.38Å; L9-F13 PolarHBondContact O-N 3.39Å; L9-K30 HydrophobicContact CD1-CD 4.21Å; L9-K30 HydrophobicContact CD1-CG 4.06Å; L9-W31 HydrophobicContact CD2-CD2 4.16Å; L9-W31 HydrophobicContact CD2-CG 4.38Å; L9-W31 HydrophobicContact CD2-CZ2 3.86Å; L9-W31 VanDerWaalsContact CD2-NE1 3.35Å; L9-V34 HydrophobicContact CB-CB 4.19Å; L9-V34 HydrophobicContact CB-CG1 3.79Å; L9-V34 HydrophobicContact CB-CG2 3.94Å; L9-V34 HydrophobicContact CD1-CG2 3.81Å |
| 10 | E | 87.3 | Confident | 78.7 | Confident | 43 Ų | 43 | 73.9 Ų | 73.9 | 20% | 0.201 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 174.2 | -74.7 | -177.3 | 166.9 | 0 | 0 | 111.3 | D6 I8 I12 F13 I14 V34 S37 L40 | D6-E10 WeakPolarHBondContact O-CG 3.47Å; D6-E10 PolarHBondContact O-N 3.21Å; I8-E10 VanDerWaalsContact C-N 3.33Å; E10-I12 VanDerWaalsContact C-N 3.35Å; E10-I12 PolarHBondContact O-N 3.45Å; E10-F13 PolarHBondContact O-N 3.44Å; E10-I14 WeakPolarHBondContact O-CB 3.27Å; E10-I14 WeakPolarHBondContact O-CG1 3.06Å; E10-I14 PolarHBondContact O-N 3.43Å; E10-V34 HydrophobicContact CB-CG1 4.45Å; E10-V34 HydrophobicContact CG-CG1 3.65Å; E10-S37 WeakPolarHBondContact OE1-CB 3.13Å; E10-S37 PolarHBondContact OE1-OG 3.34Å; E10-L40 HydrophobicContact CB-CD2 4.49Å |
| 11 | Q | 85.9 | Confident | 78.9 | Confident | 115 Ų | 115 | 71.6 Ų | 71.6 | 54% | 0.537 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 174.4 | -72.6 | -178.3 | 7.4 | 0 | 0 | 111.6 | S7 I8 L9 F13 I14 Y15 | S7-Q11 WeakPolarHBondContact O-CG 3.41Å; S7-Q11 PolarHBondContact O-N 3.47Å; I8-Q11 PolarHBondContact O-N 3.07Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 PolarHBondContact O-N 3.24Å; Q11-F13 PolarHBondContact O-N 3.17Å; Q11-I14 WeakPolarHBondContact O-CB 3.4Å; Q11-I14 PolarHBondContact O-N 3.44Å; Q11-Y15 WeakPolarHBondContact O-CD2 3.43Å; Q11-Y15 PolarHBondContact O-N 3.21Å; Q11-Y15 VanDerWaalsContact O-N 3.14Å |
| 12 | I | 87.5 | Confident | 80.1 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 30% | 0.303 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.3 | -50.9 | 175.6 | -67.3 | 163.4 | 0 | 0 | 0 | 110.2 | I8 L9 E10 I14 Y15 L16 | I8-I12 HydrophobicContact CG2-CD1 4.18Å; I8-I12 WeakPolarHBondContact O-CG1 3.29Å; I8-I12 PolarHBondContact O-N 3.37Å; L9-I12 HydrophobicContact CD2-CD1 4.22Å; L9-I12 WeakPolarHBondContact O-CB 3.5Å; L9-I12 PolarHBondContact O-N 3.14Å; L9-I12 VanDerWaalsContact O-N 3.13Å; E10-I12 VanDerWaalsContact C-N 3.35Å; E10-I12 PolarHBondContact O-N 3.45Å; I12-I14 VanDerWaalsContact C-N 3.3Å; I12-I14 PolarHBondContact O-N 3.27Å; I12-Y15 WeakPolarHBondContact O-CB 3.27Å; I12-Y15 PolarHBondContact O-N 3.17Å; I12-Y15 VanDerWaalsContact O-N 3.11Å; I12-L16 HydrophobicContact CG2-CD1 4.29Å; I12-L16 WeakPolarHBondContact O-CG 3.3Å; I12-L16 PolarHBondContact O-N 3.25Å |
| 13 | F | 85 | Confident | 81.2 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 177.4 | -83.7 | -76.1 | 0 | 0 | 0 | 112 | L9 E10 Q11 Y15 L16 R21 A24 A25 W31 V34 F35 L40 | L9-F13 WeakPolarHBondContact O-CD2 3.38Å; L9-F13 PolarHBondContact O-N 3.39Å; E10-F13 PolarHBondContact O-N 3.44Å; Q11-F13 PolarHBondContact O-N 3.17Å; F13-Y15 PolarHBondContact O-N 3.47Å; F13-L16 PolarHBondContact O-N 3.45Å; F13-L16 VanDerWaalsContact O-N 3.09Å; F13-R21 HydrophobicContact CD1-CB 3.83Å; F13-R21 HydrophobicContact CD1-CG 3.87Å; F13-R21 HydrophobicContact CE1-CB 4.26Å; F13-R21 WeakPolarHBondContact CE1-O 3.28Å; F13-R21 WeakPolarHBondContact O-CG 3.33Å; F13-R21 VanDerWaalsContact O-CZ 3.28Å; F13-R21 PolarHBondContact O-NE 3.13Å; F13-R21 PolarHBondContact O-NH2 3.17Å; F13-A24 HydrophobicContact CE1-CB 3.8Å; F13-A24 HydrophobicContact CZ-CB 4.19Å; F13-A25 HydrophobicContact CE1-CB 4.4Å; F13-W31 HydrophobicContact CE2-CB 4.39Å; F13-W31 HydrophobicContact CE2-CE3 4.48Å; F13-W31 WeakPolarHBondContact CE2-O 3.03Å; F13-W31 HydrophobicContact CZ-CB 4.17Å; F13-W31 HydrophobicContact CZ-CE3 4.2Å; F13-W31 VanDerWaalsContact CZ-O 3.28Å; F13-W31 WeakPolarHBondContact CZ-O 3.49Å; F13-V34 HydrophobicContact CD2-CB 4.36Å; F13-V34 HydrophobicContact CD2-CG1 3.74Å; F13-V34 HydrophobicContact CE2-CB 4.05Å; F13-V34 HydrophobicContact CE2-CG1 3.94Å; F13-F35 HydrophobicContact CD1-CD2 4.17Å; F13-F35 HydrophobicContact CE1-CB 4.1Å; F13-F35 AromaticContact CE1-CD2 3.88Å; F13-F35 HydrophobicContact CE1-CD2 3.88Å; F13-F35 HydrophobicContact CE1-CG 4.44Å; F13-F35 HydrophobicContact CZ-CB 4.04Å; F13-L40 HydrophobicContact CB-CD1 3.76Å; F13-L40 HydrophobicContact CB-CD2 3.6Å; F13-L40 HydrophobicContact CB-CG 4.34Å; F13-L40 HydrophobicContact CD1-CD1 4.38Å; F13-L40 HydrophobicContact CD2-CD1 4.26Å; F13-L40 HydrophobicContact CG-CD1 3.91Å |
| 14 | I | 81.3 | Confident | 81.7 | Confident | 59 Ų | 59 | 54.7 Ų | 54.7 | 30% | 0.303 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.9 | -38.2 | 177.5 | -72.4 | 164.2 | 0 | 0 | 0 | 111.2 | E10 Q11 I12 L16 R21 L40 L140 | E10-I14 WeakPolarHBondContact O-CB 3.27Å; E10-I14 WeakPolarHBondContact O-CG1 3.06Å; E10-I14 PolarHBondContact O-N 3.43Å; Q11-I14 WeakPolarHBondContact O-CB 3.4Å; Q11-I14 PolarHBondContact O-N 3.44Å; I12-I14 VanDerWaalsContact C-N 3.3Å; I12-I14 PolarHBondContact O-N 3.27Å; I14-L16 VanDerWaalsContact C-N 3.34Å; I14-R21 PolarHBondContact O-NH2 3.4Å; I14-L40 HydrophobicContact CG1-CD2 3.8Å; I14-L140 HydrophobicContact CD1-CD2 4.27Å |
| 15 | Y | 80.8 | Confident | 81.9 | Confident | 150 Ų | 150 | 52.5 Ų | 52.5 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -70.2 | -26.6 | 176.6 | -78.4 | -71.9 | 0 | 0 | 0 | 114.2 | Q11 I12 F13 N143 | Q11-Y15 WeakPolarHBondContact O-CD2 3.43Å; Q11-Y15 PolarHBondContact O-N 3.21Å; Q11-Y15 VanDerWaalsContact O-N 3.14Å; I12-Y15 WeakPolarHBondContact O-CB 3.27Å; I12-Y15 PolarHBondContact O-N 3.17Å; I12-Y15 VanDerWaalsContact O-N 3.11Å; F13-Y15 PolarHBondContact O-N 3.47Å; Y15-N143 WeakPolarHBondContact CE1-ND2 3.29Å |
| 16 | L | 80.5 | Confident | 81.8 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -81 | 146 | -178 | -63.9 | 178.8 | 0 | 0 | 0 | 111.6 | I12 F13 I14 E20 R21 A24 | I12-L16 HydrophobicContact CG2-CD1 4.29Å; I12-L16 WeakPolarHBondContact O-CG 3.3Å; I12-L16 PolarHBondContact O-N 3.25Å; F13-L16 PolarHBondContact O-N 3.45Å; F13-L16 VanDerWaalsContact O-N 3.09Å; I14-L16 VanDerWaalsContact C-N 3.34Å; L16-E20 HydrophobicContact CB-CB 3.74Å; L16-E20 HydrophobicContact CD1-CB 4.24Å; L16-E20 HydrophobicContact CD2-CB 3.97Å; L16-E20 WeakPolarHBondContact CD2-OE2 3.31Å; L16-E20 HydrophobicContact CG-CB 4.16Å; L16-R21 HydrophobicContact CB-CG 3.78Å; L16-R21 PolarHBondContact O-NE 3.02Å; L16-R21 PolarHBondContact O-NH2 2.98Å; L16-A24 HydrophobicContact CD1-CB 3.86Å |
| 17 | N | 73.1 | Confident | 81.8 | Confident | 41 Ų | 41 | 58 Ų | 58 | 22% | 0.219 | 28% | 0.275 | C | S | . | . | trans | -70.9 | 167.7 | 166.8 | 64.1 | 48 | 0 | 0 | 0 | 110.9 | N19 E20 R21 | N17-N19 VanDerWaalsContact C-N 3.3Å; N17-N19 PolarHBondContact O-N 3.25Å; N17-N19 WeakPolarHBondContact OD1-CB 3.35Å; N17-N19 PolarHBondContact OD1-N 3.23Å; N17-E20 VanDerWaalsContact CG-CD 3.49Å; N17-E20 PolarHBondContact N-OE2 3.37Å; N17-E20 PolarHBondContact ND2-OE1 3.29Å; N17-E20 PolarHBondContact ND2-OE2 3.03Å; N17-E20 PolarHBondContact O-N 3.02Å; N17-E20 VanDerWaalsContact O-N 3.1Å; N17-E20 WeakPolarHBondContact OD1-CB 3.43Å; N17-E20 VanDerWaalsContact OD1-CG 3.3Å; N17-E20 WeakPolarHBondContact OD1-CG 3.41Å; N17-E20 PolarHBondContact OD1-N 3.09Å; N17-R21 VanDerWaalsContact O-CG 3.27Å; N17-R21 WeakPolarHBondContact O-CG 3.48Å; N17-R21 PolarHBondContact O-N 2.82Å | ||
| 18 | W | 68.4 | Low | 81.7 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 8% | 0.08 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -36.3 | -172.2 | -70.2 | 103.5 | 0 | 0 | 0 | 114.4 | R21 S22 L40 W41 I157 T166 | W18-R21 VanDerWaalsContact CE3-CD 3.48Å; W18-R21 PolarHBondContact O-N 3.33Å; W18-S22 PolarHBondContact O-N 3.47Å; W18-L40 WeakPolarHBondContact CH2-O 3.17Å; W18-W41 HydrophobicContact CE3-CE3 4.42Å; W18-W41 AromaticContact CE3-CH2 3.92Å; W18-W41 HydrophobicContact CE3-CH2 3.92Å; W18-W41 AromaticContact CE3-CZ3 3.64Å; W18-W41 HydrophobicContact CE3-CZ3 3.64Å; W18-W41 HydrophobicContact CH2-CD2 4.18Å; W18-W41 AromaticContact CH2-CE3 3.32Å; W18-W41 HydrophobicContact CH2-CE3 3.32Å; W18-W41 HydrophobicContact CH2-CH2 4.23Å; W18-W41 AromaticContact CH2-CZ3 3.4Å; W18-W41 HydrophobicContact CH2-CZ3 3.4Å; W18-W41 HydrophobicContact CZ2-CE3 4.41Å; W18-W41 HydrophobicContact CZ2-CZ3 4.42Å; W18-W41 HydrophobicContact CZ3-CD2 4.18Å; W18-W41 AromaticContact CZ3-CE3 3.39Å; W18-W41 HydrophobicContact CZ3-CE3 3.39Å; W18-W41 AromaticContact CZ3-CH2 3.4Å; W18-W41 HydrophobicContact CZ3-CH2 3.4Å; W18-W41 HydrophobicContact CZ3-CZ2 4.13Å; W18-W41 AromaticContact CZ3-CZ3 2.97Å; W18-W41 HydrophobicContact CZ3-CZ3 2.97Å; W18-I157 HydrophobicContact CG-CB 4.05Å; W18-I157 HydrophobicContact CG-CD1 4.48Å; W18-I157 HydrophobicContact CG-CG2 4.08Å; W18-T166 HydrophobicContact CB-CG2 4.48Å; W18-T166 PolarHBondContact O-OG1 3.47Å |
| 19 | N | 65.6 | Low | 81.6 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 172.9 | -85.5 | -17.4 | 0 | 0 | 0 | 113.1 | N17 R21 S22 R23 D160 D162 T166 | N17-N19 VanDerWaalsContact C-N 3.3Å; N17-N19 PolarHBondContact O-N 3.25Å; N17-N19 WeakPolarHBondContact OD1-CB 3.35Å; N17-N19 PolarHBondContact OD1-N 3.23Å; N19-R21 VanDerWaalsContact C-N 3.26Å; N19-R21 PolarHBondContact O-N 3.25Å; N19-S22 WeakPolarHBondContact O-CB 3.5Å; N19-S22 PolarHBondContact O-N 2.68Å; N19-R23 WeakPolarHBondContact O-CG 3.47Å; N19-R23 PolarHBondContact O-N 2.99Å; N19-D160 PolarHBondContact ND2-OD1 3.24Å; N19-D160 PolarHBondContact OD1-OD1 3.47Å; N19-D160 PolarHBondContact OD1-OD2 3.22Å; N19-D160 VanDerWaalsContact OD1-OD2 3.12Å; N19-D162 PolarHBondContact ND2-N 3.07Å; N19-D162 VanDerWaalsContact OD1-C 3.22Å; N19-D162 PolarHBondContact OD1-O 2.91Å; N19-D162 VanDerWaalsContact OD1-O 3.13Å; N19-T166 WeakPolarHBondContact CA-OG1 3.31Å; N19-T166 PolarHBondContact OD1-OG1 2.88Å |
| 20 | E | 79.5 | Confident | 81.5 | Confident | 81 Ų | 81 | 66.8 Ų | 66.8 | 38% | 0.379 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 178.4 | -74.5 | 164.4 | -171.2 | 0 | 0 | 110.5 | L16 N17 R23 A24 | L16-E20 HydrophobicContact CB-CB 3.74Å; L16-E20 HydrophobicContact CD1-CB 4.24Å; L16-E20 HydrophobicContact CD2-CB 3.97Å; L16-E20 WeakPolarHBondContact CD2-OE2 3.31Å; L16-E20 HydrophobicContact CG-CB 4.16Å; N17-E20 VanDerWaalsContact CG-CD 3.49Å; N17-E20 PolarHBondContact N-OE2 3.37Å; N17-E20 PolarHBondContact ND2-OE1 3.29Å; N17-E20 PolarHBondContact ND2-OE2 3.03Å; N17-E20 PolarHBondContact O-N 3.02Å; N17-E20 VanDerWaalsContact O-N 3.1Å; N17-E20 WeakPolarHBondContact OD1-CB 3.43Å; N17-E20 VanDerWaalsContact OD1-CG 3.3Å; N17-E20 WeakPolarHBondContact OD1-CG 3.41Å; N17-E20 PolarHBondContact OD1-N 3.09Å; E20-R23 PolarHBondContact O-N 3.08Å; E20-A24 WeakPolarHBondContact O-CB 3.41Å; E20-A24 PolarHBondContact O-N 2.75Å |
| 21 | R | 82.5 | Confident | 81.5 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 171.9 | -63.1 | 177.3 | -171.5 | -164.7 | -4.8 | 111.2 | F13 I14 L16 N17 W18 N19 A24 A25 F35 L40 | F13-R21 HydrophobicContact CD1-CB 3.83Å; F13-R21 HydrophobicContact CD1-CG 3.87Å; F13-R21 HydrophobicContact CE1-CB 4.26Å; F13-R21 WeakPolarHBondContact CE1-O 3.28Å; F13-R21 WeakPolarHBondContact O-CG 3.33Å; F13-R21 VanDerWaalsContact O-CZ 3.28Å; F13-R21 PolarHBondContact O-NE 3.13Å; F13-R21 PolarHBondContact O-NH2 3.17Å; I14-R21 PolarHBondContact O-NH2 3.4Å; L16-R21 HydrophobicContact CB-CG 3.78Å; L16-R21 PolarHBondContact O-NE 3.02Å; L16-R21 PolarHBondContact O-NH2 2.98Å; N17-R21 VanDerWaalsContact O-CG 3.27Å; N17-R21 WeakPolarHBondContact O-CG 3.48Å; N17-R21 PolarHBondContact O-N 2.82Å; W18-R21 VanDerWaalsContact CE3-CD 3.48Å; W18-R21 PolarHBondContact O-N 3.33Å; N19-R21 VanDerWaalsContact C-N 3.26Å; N19-R21 PolarHBondContact O-N 3.25Å; R21-A24 PolarHBondContact O-N 3.17Å; R21-A25 VanDerWaalsContact O-CB 3.31Å; R21-A25 WeakPolarHBondContact O-CB 3.27Å; R21-A25 PolarHBondContact O-N 3.3Å; R21-F35 HydrophobicContact CB-CD2 4.14Å; R21-F35 HydrophobicContact CB-CE2 3.79Å; R21-L40 PolarHBondContact NH1-O 2.96Å |
| 22 | S | 76.2 | Confident | 81.4 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | W18 N19 A24 A25 R26 T166 L169 | W18-S22 PolarHBondContact O-N 3.47Å; N19-S22 WeakPolarHBondContact O-CB 3.5Å; N19-S22 PolarHBondContact O-N 2.68Å; S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 3.49Å; S22-A25 PolarHBondContact O-N 3.36Å; S22-R26 WeakPolarHBondContact O-CG 3.38Å; S22-R26 PolarHBondContact O-N 3.49Å; S22-T166 VanDerWaalsContact CB-OG1 3.26Å; S22-T166 WeakPolarHBondContact CB-OG1 3.37Å; S22-T166 WeakPolarHBondContact OG-CA 3.44Å; S22-L169 WeakPolarHBondContact O-CD2 3.24Å; S22-L169 VanDerWaalsContact OG-CD2 3.26Å; S22-L169 WeakPolarHBondContact OG-CD2 3.48Å |
| 23 | R | 81.5 | Confident | 81.3 | Confident | 142 Ų | 142 | 65.6 Ų | 65.6 | 54% | 0.536 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 178.6 | -69.1 | 174.2 | -175.8 | 174.3 | 1.5 | 111.3 | N19 E20 R26 D162 | N19-R23 WeakPolarHBondContact O-CG 3.47Å; N19-R23 PolarHBondContact O-N 2.99Å; E20-R23 PolarHBondContact O-N 3.08Å; R23-R26 PolarHBondContact O-N 2.75Å; R23-D162 IonicContact NH2-OD2 2.88Å; R23-D162 PolarHBondContact NH2-OD2 2.68Å |
| 24 | A | 84.5 | Confident | 81.3 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F13 L16 E20 R21 S22 R26 V27 W31 | F13-A24 HydrophobicContact CE1-CB 3.8Å; F13-A24 HydrophobicContact CZ-CB 4.19Å; L16-A24 HydrophobicContact CD1-CB 3.86Å; E20-A24 WeakPolarHBondContact O-CB 3.41Å; E20-A24 PolarHBondContact O-N 2.75Å; R21-A24 PolarHBondContact O-N 3.17Å; S22-A24 VanDerWaalsContact C-N 3.32Å; S22-A24 PolarHBondContact O-N 3.49Å; A24-R26 PolarHBondContact O-N 3.01Å; A24-R26 VanDerWaalsContact O-N 3.14Å; A24-V27 WeakPolarHBondContact O-CB 3.18Å; A24-V27 VanDerWaalsContact O-CG2 3.31Å; A24-V27 WeakPolarHBondContact O-CG2 3.33Å; A24-V27 PolarHBondContact O-N 2.98Å; A24-W31 HydrophobicContact CB-CE3 3.72Å; A24-W31 HydrophobicContact CB-CZ3 3.71Å |
| 25 | A | 85.4 | Confident | 81.5 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -24.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F13 R21 S22 V27 Y32 F35 L169 | F13-A25 HydrophobicContact CE1-CB 4.4Å; R21-A25 VanDerWaalsContact O-CB 3.31Å; R21-A25 WeakPolarHBondContact O-CB 3.27Å; R21-A25 PolarHBondContact O-N 3.3Å; S22-A25 PolarHBondContact O-N 3.36Å; A25-V27 VanDerWaalsContact C-N 3.34Å; A25-Y32 HydrophobicContact CB-CD2 4.47Å; A25-Y32 WeakPolarHBondContact O-CB 3.28Å; A25-F35 HydrophobicContact CB-CB 3.66Å; A25-F35 HydrophobicContact CB-CD1 3.85Å; A25-F35 HydrophobicContact CB-CD2 3.95Å; A25-F35 HydrophobicContact CB-CE1 4.44Å; A25-F35 HydrophobicContact CB-CG 3.55Å; A25-L169 HydrophobicContact CB-CD2 4.18Å |
| 26 | R | 85.7 | Confident | 81.5 | Confident | 165 Ų | 165 | 61 Ų | 61 | 62% | 0.623 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.9 | 177.5 | -63.3 | 174.3 | 77.4 | 165 | 5 | 114.4 | S22 R23 A24 L169 | S22-R26 WeakPolarHBondContact O-CG 3.38Å; S22-R26 PolarHBondContact O-N 3.49Å; R23-R26 PolarHBondContact O-N 2.75Å; A24-R26 PolarHBondContact O-N 3.01Å; A24-R26 VanDerWaalsContact O-N 3.14Å; R26-L169 HydrophobicContact CG-CD1 3.48Å; R26-L169 VanDerWaalsContact CG-CD1 3.48Å; R26-L169 HydrophobicContact CG-CD2 3.76Å; R26-L169 HydrophobicContact CG-CG 4.27Å |
| 27 | V | 85.3 | Confident | 81.6 | Confident | 100 Ų | 100 | 59.8 Ų | 59.8 | 61% | 0.606 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -69.3 | -45.3 | -174.2 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | A24 A25 | A24-V27 WeakPolarHBondContact O-CB 3.18Å; A24-V27 VanDerWaalsContact O-CG2 3.31Å; A24-V27 WeakPolarHBondContact O-CG2 3.33Å; A24-V27 PolarHBondContact O-N 2.98Å; A25-V27 VanDerWaalsContact C-N 3.34Å |
| 28 | C | 85.2 | Confident | 82 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | trans | -159.5 | 165.3 | 176.5 | 75.1 | 0 | 0 | 0 | 0 | 112.3 | K30 W31 Y32 | C28-K30 VanDerWaalsContact C-N 3.27Å; C28-K30 PolarHBondContact O-N 3.4Å; C28-W31 PolarHBondContact O-N 3.3Å; C28-Y32 PolarHBondContact O-N 2.99Å | ||
| 29 | R | 85 | Confident | 82.7 | Confident | 230 Ų | 230 | 61.7 Ų | 61.7 | 87% | 0.868 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -56.5 | -36.1 | 178.7 | -83.5 | -174.8 | 177 | 168.1 | -2 | 113.9 | Y32 S33 | R29-Y32 WeakPolarHBondContact O-CB 3.44Å; R29-Y32 PolarHBondContact O-N 3.39Å; R29-S33 WeakPolarHBondContact O-CB 3.47Å; R29-S33 PolarHBondContact O-N 2.86Å |
| 30 | K | 85.5 | Confident | 83.5 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.1 | -47.3 | 178.7 | -170.2 | 176.1 | -166.2 | 175.4 | 0 | 111.2 | D3 I4 D6 L9 C28 Y32 S33 V34 | D3-K30 IonicContact OD1-NZ 3.3Å; D3-K30 PolarHBondContact OD1-NZ 2.87Å; I4-K30 WeakPolarHBondContact O-CE 3.38Å; I4-K30 PolarHBondContact O-NZ 2.79Å; D6-K30 VanDerWaalsContact OD1-CE 3.31Å; D6-K30 WeakPolarHBondContact OD1-CE 3.42Å; L9-K30 HydrophobicContact CD1-CD 4.21Å; L9-K30 HydrophobicContact CD1-CG 4.06Å; C28-K30 VanDerWaalsContact C-N 3.27Å; C28-K30 PolarHBondContact O-N 3.4Å; K30-Y32 VanDerWaalsContact C-N 3.28Å; K30-Y32 PolarHBondContact O-N 3.47Å; K30-S33 WeakPolarHBondContact O-CB 3.27Å; K30-S33 PolarHBondContact O-N 2.92Å; K30-V34 WeakPolarHBondContact O-CG2 3.48Å; K30-V34 PolarHBondContact O-N 3.03Å |
| 31 | W | 87.6 | Confident | 83.8 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 24% | 0.239 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 177.1 | -75.8 | 42.5 | 0 | 0 | 0 | 111.4 | L9 F13 A24 C28 V34 F35 | L9-W31 HydrophobicContact CD2-CD2 4.16Å; L9-W31 HydrophobicContact CD2-CG 4.38Å; L9-W31 HydrophobicContact CD2-CZ2 3.86Å; L9-W31 VanDerWaalsContact CD2-NE1 3.35Å; F13-W31 HydrophobicContact CE2-CB 4.39Å; F13-W31 HydrophobicContact CE2-CE3 4.48Å; F13-W31 WeakPolarHBondContact CE2-O 3.03Å; F13-W31 HydrophobicContact CZ-CB 4.17Å; F13-W31 HydrophobicContact CZ-CE3 4.2Å; F13-W31 VanDerWaalsContact CZ-O 3.28Å; F13-W31 WeakPolarHBondContact CZ-O 3.49Å; A24-W31 HydrophobicContact CB-CE3 3.72Å; A24-W31 HydrophobicContact CB-CZ3 3.71Å; C28-W31 PolarHBondContact O-N 3.3Å; W31-V34 PolarHBondContact O-N 2.8Å; W31-F35 WeakPolarHBondContact O-CB 3.25Å; W31-F35 PolarHBondContact O-N 2.99Å |
| 32 | Y | 84.1 | Confident | 84 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 171.6 | 179.6 | -116.7 | 0 | 0 | 0 | 112.8 | A25 C28 R29 K30 V34 F35 Q36 L173 | A25-Y32 HydrophobicContact CB-CD2 4.47Å; A25-Y32 WeakPolarHBondContact O-CB 3.28Å; C28-Y32 PolarHBondContact O-N 2.99Å; R29-Y32 WeakPolarHBondContact O-CB 3.44Å; R29-Y32 PolarHBondContact O-N 3.39Å; K30-Y32 VanDerWaalsContact C-N 3.28Å; K30-Y32 PolarHBondContact O-N 3.47Å; Y32-V34 VanDerWaalsContact C-N 3.28Å; Y32-V34 PolarHBondContact O-N 3.4Å; Y32-F35 WeakPolarHBondContact O-CB 3.26Å; Y32-F35 PolarHBondContact O-N 2.9Å; Y32-F35 VanDerWaalsContact O-N 3.08Å; Y32-Q36 HydrophobicContact CE2-CG 4.25Å; Y32-Q36 PolarHBondContact O-N 2.6Å; Y32-Q36 VanDerWaalsContact O-N 3.16Å; Y32-Q36 PolarHBondContact OH-NE2 2.77Å; Y32-L173 HydrophobicContact CD2-CD1 3.72Å; Y32-L173 HydrophobicContact CE2-CB 4.32Å; Y32-L173 HydrophobicContact CE2-CD1 3.13Å; Y32-L173 HydrophobicContact CE2-CG 4.22Å; Y32-L173 WeakPolarHBondContact OH-CB 3.45Å |
| 33 | S | 84.6 | Confident | 84.5 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | R29 K30 Q36 | R29-S33 WeakPolarHBondContact O-CB 3.47Å; R29-S33 PolarHBondContact O-N 2.86Å; K30-S33 WeakPolarHBondContact O-CB 3.27Å; K30-S33 PolarHBondContact O-N 2.92Å; S33-Q36 PolarHBondContact O-N 3.1Å |
| 34 | V | 86.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.3 | -34.6 | 175.7 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | D6 L9 E10 F13 K30 W31 Y32 Q36 S37 L40 | D6-V34 HydrophobicContact CB-CG2 3.96Å; L9-V34 HydrophobicContact CB-CB 4.19Å; L9-V34 HydrophobicContact CB-CG1 3.79Å; L9-V34 HydrophobicContact CB-CG2 3.94Å; L9-V34 HydrophobicContact CD1-CG2 3.81Å; E10-V34 HydrophobicContact CB-CG1 4.45Å; E10-V34 HydrophobicContact CG-CG1 3.65Å; F13-V34 HydrophobicContact CD2-CB 4.36Å; F13-V34 HydrophobicContact CD2-CG1 3.74Å; F13-V34 HydrophobicContact CE2-CB 4.05Å; F13-V34 HydrophobicContact CE2-CG1 3.94Å; K30-V34 WeakPolarHBondContact O-CG2 3.48Å; K30-V34 PolarHBondContact O-N 3.03Å; W31-V34 PolarHBondContact O-N 2.8Å; Y32-V34 VanDerWaalsContact C-N 3.28Å; Y32-V34 PolarHBondContact O-N 3.4Å; V34-Q36 PolarHBondContact O-N 2.73Å; V34-S37 WeakPolarHBondContact O-CB 3.12Å; V34-S37 PolarHBondContact O-N 3.47Å; V34-L40 WeakPolarHBondContact O-CD1 3.11Å |
| 35 | F | 83.9 | Confident | 84.9 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -29.7 | 174.4 | -179.6 | -105.4 | 0 | 0 | 0 | 112.7 | F13 R21 A25 W31 Y32 S37 W41 I170 | F13-F35 HydrophobicContact CD1-CD2 4.17Å; F13-F35 HydrophobicContact CE1-CB 4.1Å; F13-F35 AromaticContact CE1-CD2 3.88Å; F13-F35 HydrophobicContact CE1-CD2 3.88Å; F13-F35 HydrophobicContact CE1-CG 4.44Å; F13-F35 HydrophobicContact CZ-CB 4.04Å; R21-F35 HydrophobicContact CB-CD2 4.14Å; R21-F35 HydrophobicContact CB-CE2 3.79Å; A25-F35 HydrophobicContact CB-CB 3.66Å; A25-F35 HydrophobicContact CB-CD1 3.85Å; A25-F35 HydrophobicContact CB-CD2 3.95Å; A25-F35 HydrophobicContact CB-CE1 4.44Å; A25-F35 HydrophobicContact CB-CG 3.55Å; W31-F35 WeakPolarHBondContact O-CB 3.25Å; W31-F35 PolarHBondContact O-N 2.99Å; Y32-F35 WeakPolarHBondContact O-CB 3.26Å; Y32-F35 PolarHBondContact O-N 2.9Å; Y32-F35 VanDerWaalsContact O-N 3.08Å; F35-S37 PolarHBondContact O-N 3.47Å; F35-W41 HydrophobicContact CD1-CZ2 4.23Å; F35-W41 HydrophobicContact CD2-CZ2 4.12Å; F35-W41 HydrophobicContact CE1-CH2 4.16Å; F35-W41 AromaticContact CE1-CZ2 3.73Å; F35-W41 HydrophobicContact CE1-CZ2 3.73Å; F35-W41 AromaticContact CE2-CH2 3.77Å; F35-W41 HydrophobicContact CE2-CH2 3.77Å; F35-W41 AromaticContact CE2-CZ2 3.59Å; F35-W41 HydrophobicContact CE2-CZ2 3.59Å; F35-W41 HydrophobicContact CG-CZ2 4.43Å; F35-W41 AromaticContact CZ-CH2 3.47Å; F35-W41 HydrophobicContact CZ-CH2 3.47Å; F35-W41 VanDerWaalsContact CZ-CH2 3.47Å; F35-W41 AromaticContact CZ-CZ2 3.4Å; F35-W41 HydrophobicContact CZ-CZ2 3.4Å; F35-W41 PolarHBondContact O-NE1 2.94Å; F35-I170 HydrophobicContact CE1-CG1 4.3Å |
| 36 | Q | 81 | Confident | 84.9 | Confident | 102 Ų | 102 | 60.2 Ų | 60.2 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -5.9 | 172 | -64.5 | -178.7 | -30.5 | 0 | 0 | 113.6 | Y32 S33 V34 | Y32-Q36 HydrophobicContact CE2-CG 4.25Å; Y32-Q36 PolarHBondContact O-N 2.6Å; Y32-Q36 VanDerWaalsContact O-N 3.16Å; Y32-Q36 PolarHBondContact OH-NE2 2.77Å; S33-Q36 PolarHBondContact O-N 3.1Å; V34-Q36 PolarHBondContact O-N 2.73Å |
| 37 | S | 82.7 | Confident | 84.6 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 12% | 0.119 | 27% | 0.266 | C | S | . | . | trans | -60.5 | 129.6 | -179.8 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | E10 V34 F35 V39 L40 | E10-S37 WeakPolarHBondContact OE1-CB 3.13Å; E10-S37 PolarHBondContact OE1-OG 3.34Å; V34-S37 WeakPolarHBondContact O-CB 3.12Å; V34-S37 PolarHBondContact O-N 3.47Å; F35-S37 PolarHBondContact O-N 3.47Å; S37-V39 PolarHBondContact O-N 2.87Å; S37-V39 PolarHBondContact OG-N 3.28Å; S37-L40 PolarHBondContact O-N 3.29Å | ||
| 38 | P | 82.1 | Confident | 84.1 | Confident | 56 Ų | 56 | 53 Ų | 53 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -54.2 | -30 | 176.7 | -28.2 | 35 | 0 | 0 | 0 | 113.8 | L40 W41 R42 H75 | P38-L40 PolarHBondContact O-N 3.04Å; P38-W41 PolarHBondContact O-N 2.92Å; P38-W41 VanDerWaalsContact O-N 3.14Å; P38-R42 VanDerWaalsContact O-CG 3.31Å; P38-R42 WeakPolarHBondContact O-CG 3.17Å; P38-R42 PolarHBondContact O-N 3.26Å; P38-H75 HydrophobicContact CB-CB 4.27Å |
| 39 | V | 83.3 | Confident | 83.4 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -58 | -38.1 | -176.7 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | S37 W41 | S37-V39 PolarHBondContact O-N 2.87Å; S37-V39 PolarHBondContact OG-N 3.28Å; V39-W41 PolarHBondContact O-N 3.01Å |
| 40 | L | 81.8 | Confident | 82.6 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -69.5 | -22.8 | -177.8 | -59.6 | -178.6 | 0 | 0 | 0 | 113.3 | E10 F13 I14 W18 R21 V34 S37 P38 | E10-L40 HydrophobicContact CB-CD2 4.49Å; F13-L40 HydrophobicContact CB-CD1 3.76Å; F13-L40 HydrophobicContact CB-CD2 3.6Å; F13-L40 HydrophobicContact CB-CG 4.34Å; F13-L40 HydrophobicContact CD1-CD1 4.38Å; F13-L40 HydrophobicContact CD2-CD1 4.26Å; F13-L40 HydrophobicContact CG-CD1 3.91Å; I14-L40 HydrophobicContact CG1-CD2 3.8Å; W18-L40 WeakPolarHBondContact CH2-O 3.17Å; R21-L40 PolarHBondContact NH1-O 2.96Å; V34-L40 WeakPolarHBondContact O-CD1 3.11Å; S37-L40 PolarHBondContact O-N 3.29Å; P38-L40 PolarHBondContact O-N 3.04Å |
| 41 | W | 84.8 | Confident | 81.9 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 5% | 0.045 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -107.2 | 2.1 | -171.1 | -54 | 106.8 | 0 | 0 | 0 | 113.8 | W18 F35 P38 V39 K43 I72 H75 I170 | W18-W41 HydrophobicContact CE3-CE3 4.42Å; W18-W41 AromaticContact CE3-CH2 3.92Å; W18-W41 HydrophobicContact CE3-CH2 3.92Å; W18-W41 AromaticContact CE3-CZ3 3.64Å; W18-W41 HydrophobicContact CE3-CZ3 3.64Å; W18-W41 HydrophobicContact CH2-CD2 4.18Å; W18-W41 AromaticContact CH2-CE3 3.32Å; W18-W41 HydrophobicContact CH2-CE3 3.32Å; W18-W41 HydrophobicContact CH2-CH2 4.23Å; W18-W41 AromaticContact CH2-CZ3 3.4Å; W18-W41 HydrophobicContact CH2-CZ3 3.4Å; W18-W41 HydrophobicContact CZ2-CE3 4.41Å; W18-W41 HydrophobicContact CZ2-CZ3 4.42Å; W18-W41 HydrophobicContact CZ3-CD2 4.18Å; W18-W41 AromaticContact CZ3-CE3 3.39Å; W18-W41 HydrophobicContact CZ3-CE3 3.39Å; W18-W41 AromaticContact CZ3-CH2 3.4Å; W18-W41 HydrophobicContact CZ3-CH2 3.4Å; W18-W41 HydrophobicContact CZ3-CZ2 4.13Å; W18-W41 AromaticContact CZ3-CZ3 2.97Å; W18-W41 HydrophobicContact CZ3-CZ3 2.97Å; F35-W41 HydrophobicContact CD1-CZ2 4.23Å; F35-W41 HydrophobicContact CD2-CZ2 4.12Å; F35-W41 HydrophobicContact CE1-CH2 4.16Å; F35-W41 AromaticContact CE1-CZ2 3.73Å; F35-W41 HydrophobicContact CE1-CZ2 3.73Å; F35-W41 AromaticContact CE2-CH2 3.77Å; F35-W41 HydrophobicContact CE2-CH2 3.77Å; F35-W41 AromaticContact CE2-CZ2 3.59Å; F35-W41 HydrophobicContact CE2-CZ2 3.59Å; F35-W41 HydrophobicContact CG-CZ2 4.43Å; F35-W41 AromaticContact CZ-CH2 3.47Å; F35-W41 HydrophobicContact CZ-CH2 3.47Å; F35-W41 VanDerWaalsContact CZ-CH2 3.47Å; F35-W41 AromaticContact CZ-CZ2 3.4Å; F35-W41 HydrophobicContact CZ-CZ2 3.4Å; F35-W41 PolarHBondContact O-NE1 2.94Å; P38-W41 PolarHBondContact O-N 2.92Å; P38-W41 VanDerWaalsContact O-N 3.14Å; V39-W41 PolarHBondContact O-N 3.01Å; W41-K43 PolarHBondContact O-N 2.86Å; W41-K43 VanDerWaalsContact O-N 3.12Å; W41-I72 HydrophobicContact CB-CB 4.35Å; W41-I72 HydrophobicContact CD2-CB 4.18Å; W41-I72 HydrophobicContact CD2-CD1 4.03Å; W41-I72 HydrophobicContact CD2-CG2 3.8Å; W41-I72 HydrophobicContact CE3-CB 4.28Å; W41-I72 HydrophobicContact CE3-CD1 3.28Å; W41-I72 HydrophobicContact CE3-CG1 4.33Å; W41-I72 HydrophobicContact CE3-CG2 4.02Å; W41-I72 HydrophobicContact CG-CB 4.21Å; W41-I72 HydrophobicContact CG-CG2 4.14Å; W41-I72 HydrophobicContact CZ2-CG2 4.39Å; W41-I72 HydrophobicContact CZ3-CD1 3.74Å; W41-I72 HydrophobicContact CZ3-CG2 4.35Å; W41-H75 HydrophobicContact CB-CB 3.86Å; W41-I170 HydrophobicContact CH2-CD1 4.2Å |
| 42 | R | 87.4 | Confident | 81.1 | Confident | 99 Ų | 99 | 59.1 Ų | 59.1 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -64.8 | -16.5 | -176.8 | -64.9 | -174 | -179.1 | 172.8 | 0.7 | 114.7 | P38 H75 R77 N78 | P38-R42 VanDerWaalsContact O-CG 3.31Å; P38-R42 WeakPolarHBondContact O-CG 3.17Å; P38-R42 PolarHBondContact O-N 3.26Å; R42-H75 WeakPolarHBondContact CA-O 3.47Å; R42-R77 HydrophobicContact CB-CB 4.41Å; R42-R77 HydrophobicContact CB-CG 4.19Å; R42-R77 HydrophobicContact CG-CG 4.18Å; R42-R77 CarbonylContact O-C 3.5Å; R42-R77 WeakPolarHBondContact O-CA 3.41Å; R42-R77 PolarHBondContact O-N 3.43Å; R42-N78 PolarHBondContact O-N 3.37Å; R42-N78 PolarHBondContact O-ND2 3.38Å |
| 43 | K | 87 | Confident | 80.6 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 35% | 0.352 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.8 | -178.4 | -177.1 | -177 | -180 | -168.9 | 0 | 110.1 | W41 V45 N78 | W41-K43 PolarHBondContact O-N 2.86Å; W41-K43 VanDerWaalsContact O-N 3.12Å; K43-V45 HydrophobicContact CG-CG2 4.44Å; K43-N78 WeakPolarHBondContact CA-O 3.46Å; K43-N78 HydrophobicContact CB-CB 4.29Å; K43-N78 HydrophobicContact CG-CB 4.17Å |
| 44 | I | 87.4 | Confident | 80.1 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.6 | 172.9 | -164.3 | 162.9 | 0 | 0 | 0 | 110 | F46 I76 N78 Y79 K80 | I44-F46 HydrophobicContact CB-CE2 4.41Å; I44-F46 HydrophobicContact CD1-CE1 4.33Å; I44-F46 HydrophobicContact CD1-CE2 4.14Å; I44-F46 HydrophobicContact CD1-CZ 3.72Å; I44-F46 HydrophobicContact CG1-CE2 3.98Å; I44-F46 HydrophobicContact CG1-CZ 4.04Å; I44-F46 HydrophobicContact CG2-CD2 4.42Å; I44-F46 HydrophobicContact CG2-CE2 3.63Å; I44-F46 HydrophobicContact CG2-CZ 4.25Å; I44-I76 HydrophobicContact CB-CD1 4.37Å; I44-I76 HydrophobicContact CB-CG2 4.45Å; I44-I76 HydrophobicContact CD1-CD1 4.1Å; I44-I76 HydrophobicContact CG2-CD1 4.16Å; I44-I76 HydrophobicContact CG2-CG2 3.78Å; I44-N78 PolarHBondContact N-O 2.89Å; I44-Y79 HydrophobicContact CG2-CD1 3.51Å; I44-Y79 HydrophobicContact CG2-CE1 3.77Å; I44-Y79 HydrophobicContact CG2-CG 4.11Å; I44-K80 PolarHBondContact O-N 3.09Å |
| 45 | V | 86.8 | Confident | 79.5 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118.4 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | K43 K47 K80 L82 | K43-V45 HydrophobicContact CG-CG2 4.44Å; V45-K47 HydrophobicContact CG1-CG 4.27Å; V45-K80 CarbonylContact C-O 3.33Å; V45-K80 WeakPolarHBondContact CA-O 3.45Å; V45-K80 HydrophobicContact CG1-CB 4.35Å; V45-K80 HydrophobicContact CG1-CD 4.36Å; V45-K80 HydrophobicContact CG1-CG 4.26Å; V45-K80 HydrophobicContact CG2-CB 4.21Å; V45-L82 HydrophobicContact CG1-CD1 4.19Å; V45-L82 HydrophobicContact CG1-CD2 4.25Å; V45-L82 HydrophobicContact CG1-CG 4.03Å |
| 46 | F | 85.9 | Confident | 79 | Confident | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.3 | 175.8 | -65.4 | -87.2 | 0 | 0 | 0 | 109.1 | I44 L65 Y79 K80 F81 L82 T93 V97 I156 | I44-F46 HydrophobicContact CB-CE2 4.41Å; I44-F46 HydrophobicContact CD1-CE1 4.33Å; I44-F46 HydrophobicContact CD1-CE2 4.14Å; I44-F46 HydrophobicContact CD1-CZ 3.72Å; I44-F46 HydrophobicContact CG1-CE2 3.98Å; I44-F46 HydrophobicContact CG1-CZ 4.04Å; I44-F46 HydrophobicContact CG2-CD2 4.42Å; I44-F46 HydrophobicContact CG2-CE2 3.63Å; I44-F46 HydrophobicContact CG2-CZ 4.25Å; F46-L65 HydrophobicContact CE1-CD1 3.66Å; F46-L65 HydrophobicContact CE1-CD2 3.93Å; F46-L65 HydrophobicContact CE1-CG 4.47Å; F46-L65 HydrophobicContact CZ-CD1 4.11Å; F46-Y79 AromaticContact CE2-CD1 3.87Å; F46-Y79 HydrophobicContact CE2-CD1 3.87Å; F46-Y79 HydrophobicContact CE2-CE1 4.31Å; F46-K80 PolarHBondContact N-O 3.3Å; F46-F81 HydrophobicContact CB-CD1 3.71Å; F46-F81 HydrophobicContact CB-CE1 4.11Å; F46-F81 HydrophobicContact CB-CG 4.39Å; F46-F81 HydrophobicContact CD1-CE1 4.3Å; F46-F81 AromaticContact CD2-CD1 3.68Å; F46-F81 HydrophobicContact CD2-CD1 3.68Å; F46-F81 HydrophobicContact CD2-CD2 4.47Å; F46-F81 AromaticContact CD2-CE1 3.35Å; F46-F81 HydrophobicContact CD2-CE1 3.35Å; F46-F81 HydrophobicContact CD2-CE2 4.18Å; F46-F81 HydrophobicContact CD2-CG 4.23Å; F46-F81 AromaticContact CD2-CZ 3.62Å; F46-F81 HydrophobicContact CD2-CZ 3.62Å; F46-F81 AromaticContact CE2-CE1 3.8Å; F46-F81 HydrophobicContact CE2-CE1 3.8Å; F46-F81 HydrophobicContact CE2-CE2 4.41Å; F46-F81 AromaticContact CE2-CZ 3.71Å; F46-F81 HydrophobicContact CE2-CZ 3.71Å; F46-F81 AromaticContact CG-CD1 3.79Å; F46-F81 HydrophobicContact CG-CD1 3.79Å; F46-F81 AromaticContact CG-CE1 3.65Å; F46-F81 HydrophobicContact CG-CE1 3.65Å; F46-F81 HydrophobicContact CG-CZ 4.37Å; F46-F81 HydrophobicContact CZ-CE1 4.42Å; F46-F81 HydrophobicContact CZ-CZ 4.49Å; F46-L82 PolarHBondContact O-N 2.99Å; F46-L82 VanDerWaalsContact O-N 3.1Å; F46-T93 HydrophobicContact CD1-CG2 3.48Å; F46-T93 VanDerWaalsContact CD1-CG2 3.48Å; F46-T93 HydrophobicContact CE1-CG2 3.54Å; F46-T93 HydrophobicContact CG-CG2 4.13Å; F46-T93 HydrophobicContact CZ-CG2 4.24Å; F46-V97 HydrophobicContact CZ-CG2 4.33Å; F46-I156 HydrophobicContact CD1-CG2 3.94Å; F46-I156 HydrophobicContact CE1-CG2 4.28Å |
| 47 | K | 78.2 | Confident | 78.8 | Confident | 63 Ų | 63 | 69.2 Ų | 69.2 | 27% | 0.274 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 143.3 | 177.1 | -55.7 | -158.5 | 177.7 | -171.9 | 0 | 110.9 | V45 L82 E158 | V45-K47 HydrophobicContact CG1-CG 4.27Å; K47-L82 HydrophobicContact CB-CD1 4.35Å; K47-L82 HydrophobicContact CD-CD1 4.11Å; K47-L82 HydrophobicContact CG-CD1 3.75Å; K47-E158 WeakPolarHBondContact CE-OE1 3.36Å; K47-E158 VanDerWaalsContact NZ-CG 3.31Å; K47-E158 IonicContact NZ-OE1 2.69Å; K47-E158 PolarHBondContact NZ-OE1 3.43Å |
| 48 | P | 75.9 | Confident | 78.4 | Confident | 49 Ų | 49 | 70.2 Ų | 70.2 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 148.4 | 171.7 | 25.5 | -35.7 | 0 | 0 | 0 | 111.1 | K83 T84 | P48-K83 WeakPolarHBondContact CG-O 3.4Å; P48-T84 WeakPolarHBondContact CB-OG1 3.21Å |
| 49 | P | 70.6 | Confident | 78.1 | Confident | 21 Ų | 21 | 69 Ų | 69 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 138.1 | 170.5 | 31 | -33.7 | 0 | 0 | 0 | 109.9 | R51 L53 L89 | P49-R51 WeakPolarHBondContact CB-O 3.44Å; P49-R51 PolarHBondContact O-N 3.27Å; P49-L53 HydrophobicContact CB-CD1 4.33Å; P49-L53 HydrophobicContact CB-CD2 4.13Å; P49-L53 HydrophobicContact CB-CG 4.17Å; P49-L53 HydrophobicContact CG-CD1 4.21Å; P49-L53 HydrophobicContact CG-CG 4.19Å; P49-L89 HydrophobicContact CG-CD2 3.88Å |
| 50 | C | 67.7 | Low | 77.8 | Confident | 108 Ų | 108 | 70 Ų | 70 | 73% | 0.73 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -62.7 | -15.4 | 177.4 | -48.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 51 | R | 70.4 | Confident | 77.5 | Confident | 159 Ų | 159 | 70.9 Ų | 70.9 | 60% | 0.6 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -141.2 | 150.2 | -179.9 | -63.4 | -174.8 | -178.9 | 177.1 | 0.4 | 110.4 | P49 L53 | P49-R51 WeakPolarHBondContact CB-O 3.44Å; P49-R51 PolarHBondContact O-N 3.27Å; R51-L53 PolarHBondContact O-N 2.95Å |
| 52 | R | 70.7 | Confident | 77.2 | Confident | 239 Ų | 239 | 70.5 Ų | 70.5 | 90% | 0.902 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 133.9 | 172.1 | -66.6 | -174.3 | -179.1 | -175.4 | -0.2 | 110 | ||
| 53 | L | 73.5 | Confident | 76.8 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 148.7 | -176.1 | -59.8 | 174.2 | 0 | 0 | 0 | 110.7 | P49 R51 Q57 Y58 K61 L89 | P49-L53 HydrophobicContact CB-CD1 4.33Å; P49-L53 HydrophobicContact CB-CD2 4.13Å; P49-L53 HydrophobicContact CB-CG 4.17Å; P49-L53 HydrophobicContact CG-CD1 4.21Å; P49-L53 HydrophobicContact CG-CG 4.19Å; R51-L53 PolarHBondContact O-N 2.95Å; L53-Q57 VanDerWaalsContact CA-OE1 3.32Å; L53-Q57 HydrophobicContact CB-CB 3.98Å; L53-Q57 HydrophobicContact CD2-CB 4.22Å; L53-Y58 HydrophobicContact CB-CD2 3.88Å; L53-Y58 HydrophobicContact CB-CE1 4.32Å; L53-Y58 HydrophobicContact CB-CE2 3.64Å; L53-Y58 HydrophobicContact CB-CG 4.33Å; L53-Y58 HydrophobicContact CD1-CD1 4.25Å; L53-Y58 HydrophobicContact CD1-CE1 4.18Å; L53-Y58 VanDerWaalsContact O-CE2 3.22Å; L53-Y58 WeakPolarHBondContact O-CE2 3.33Å; L53-K61 HydrophobicContact CD1-CD 3.6Å; L53-L89 HydrophobicContact CD1-CD2 4.06Å |
| 54 | T | 74.8 | Confident | 76.4 | Confident | 79 Ų | 79 | 70.5 Ų | 70.5 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 158.6 | 166.2 | 69.8 | 0 | 0 | 0 | 0 | 110 | L56 Q57 Y58 | T54-L56 PolarHBondContact O-N 3.37Å; T54-Q57 WeakPolarHBondContact O-CA 3.21Å; T54-Q57 WeakPolarHBondContact O-CB 3.43Å; T54-Q57 PolarHBondContact O-N 3.24Å; T54-Q57 VanDerWaalsContact OG1-CG 3.31Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.46Å; T54-Q57 PolarHBondContact OG1-N 2.91Å; T54-Q57 PolarHBondContact OG1-OE1 3.15Å; T54-Y58 VanDerWaalsContact O-CD2 3.22Å; T54-Y58 WeakPolarHBondContact O-CD2 3.28Å; T54-Y58 PolarHBondContact O-N 2.96Å |
| 55 | K | 74.8 | Confident | 76.2 | Confident | 147 Ų | 147 | 70.7 Ų | 70.7 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -51.5 | -43.3 | 177.9 | -174 | 178.7 | 177.2 | -176 | 0 | 112.9 | Q57 Y58 D59 | K55-Q57 VanDerWaalsContact C-N 3.33Å; K55-Q57 PolarHBondContact O-N 3.02Å; K55-Y58 WeakPolarHBondContact O-CB 3.42Å; K55-Y58 PolarHBondContact O-N 2.95Å; K55-D59 PolarHBondContact O-N 3.27Å |
| 56 | L | 71.6 | Confident | 76 | Confident | 117 Ų | 117 | 69.9 Ų | 69.9 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.3 | -40 | 177.7 | -177.5 | 66.5 | 0 | 0 | 0 | 111.5 | T54 Y58 D59 I60 | T54-L56 PolarHBondContact O-N 3.37Å; L56-Y58 PolarHBondContact O-N 3.48Å; L56-D59 PolarHBondContact O-N 2.97Å; L56-I60 HydrophobicContact CD1-CD1 4.14Å; L56-I60 HydrophobicContact CD1-CG1 4.41Å; L56-I60 HydrophobicContact CD2-CD1 4.33Å; L56-I60 HydrophobicContact CG-CD1 3.79Å; L56-I60 HydrophobicContact CG-CG1 4.42Å; L56-I60 VanDerWaalsContact O-CG1 3.31Å; L56-I60 WeakPolarHBondContact O-CG1 3.33Å; L56-I60 PolarHBondContact O-N 3.23Å |
| 57 | Q | 76.8 | Confident | 75.7 | Confident | 85 Ų | 85 | 70 Ų | 70 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.9 | -71.7 | 169.4 | -18 | 0 | 0 | 111.9 | L53 T54 K55 D59 K61 | L53-Q57 VanDerWaalsContact CA-OE1 3.32Å; L53-Q57 HydrophobicContact CB-CB 3.98Å; L53-Q57 HydrophobicContact CD2-CB 4.22Å; T54-Q57 WeakPolarHBondContact O-CA 3.21Å; T54-Q57 WeakPolarHBondContact O-CB 3.43Å; T54-Q57 PolarHBondContact O-N 3.24Å; T54-Q57 VanDerWaalsContact OG1-CG 3.31Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.46Å; T54-Q57 PolarHBondContact OG1-N 2.91Å; T54-Q57 PolarHBondContact OG1-OE1 3.15Å; K55-Q57 VanDerWaalsContact C-N 3.33Å; K55-Q57 PolarHBondContact O-N 3.02Å; Q57-D59 PolarHBondContact O-N 3.36Å; Q57-K61 VanDerWaalsContact O-CB 3.27Å; Q57-K61 WeakPolarHBondContact O-CB 3.5Å; Q57-K61 VanDerWaalsContact O-CG 3.26Å; Q57-K61 WeakPolarHBondContact O-CG 3.49Å; Q57-K61 PolarHBondContact O-N 2.91Å |
| 58 | Y | 74.8 | Confident | 75.8 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 172.7 | -76.6 | -79.6 | 0 | 0 | 0 | 112.4 | L53 T54 K55 L56 K61 G62 D86 F88 L89 | L53-Y58 HydrophobicContact CB-CD2 3.88Å; L53-Y58 HydrophobicContact CB-CE1 4.32Å; L53-Y58 HydrophobicContact CB-CE2 3.64Å; L53-Y58 HydrophobicContact CB-CG 4.33Å; L53-Y58 HydrophobicContact CD1-CD1 4.25Å; L53-Y58 HydrophobicContact CD1-CE1 4.18Å; L53-Y58 VanDerWaalsContact O-CE2 3.22Å; L53-Y58 WeakPolarHBondContact O-CE2 3.33Å; T54-Y58 VanDerWaalsContact O-CD2 3.22Å; T54-Y58 WeakPolarHBondContact O-CD2 3.28Å; T54-Y58 PolarHBondContact O-N 2.96Å; K55-Y58 WeakPolarHBondContact O-CB 3.42Å; K55-Y58 PolarHBondContact O-N 2.95Å; L56-Y58 PolarHBondContact O-N 3.48Å; Y58-K61 PolarHBondContact O-N 3.32Å; Y58-G62 PolarHBondContact O-N 2.97Å; Y58-D86 WeakPolarHBondContact CE1-OD2 3.49Å; Y58-D86 PolarHBondContact OH-OD1 3.03Å; Y58-D86 PolarHBondContact OH-OD2 3.36Å; Y58-F88 HydrophobicContact CD1-CD1 4.08Å; Y58-F88 HydrophobicContact CD1-CE1 4.29Å; Y58-F88 AromaticContact CE1-CD1 3.98Å; Y58-F88 HydrophobicContact CE1-CD1 3.98Å; Y58-L89 HydrophobicContact CD1-CB 4.45Å; Y58-L89 HydrophobicContact CD1-CD1 3.86Å; Y58-L89 HydrophobicContact CE1-CB 3.9Å; Y58-L89 HydrophobicContact CE1-CD1 4.11Å; Y58-L89 HydrophobicContact CE1-CG 4.45Å |
| 59 | D | 76.4 | Confident | 76.3 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 16% | 0.16 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -46.8 | -178.7 | -79.1 | -27.4 | 0 | 0 | 0 | 111.2 | K55 L56 Q57 K61 G62 Y63 R92 S225 S227 | K55-D59 PolarHBondContact O-N 3.27Å; L56-D59 PolarHBondContact O-N 2.97Å; Q57-D59 PolarHBondContact O-N 3.36Å; D59-K61 PolarHBondContact O-N 2.85Å; D59-G62 PolarHBondContact O-N 3.06Å; D59-Y63 PolarHBondContact O-N 3.42Å; D59-R92 IonicContact OD1-CZ 2.93Å; D59-R92 IonicContact OD1-NH1 3.67Å; D59-R92 IonicContact OD1-NH2 2.94Å; D59-R92 PolarHBondContact OD1-NH2 3.08Å; D59-S225 WeakPolarHBondContact OD2-CB 3.47Å; D59-S225 PolarHBondContact OD2-OG 3.48Å; D59-S227 VanDerWaalsContact CG-OG 3.23Å; D59-S227 PolarHBondContact OD1-OG 2.99Å |
| 60 | I | 76.4 | Confident | 76.8 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 35% | 0.349 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.6 | -68.4 | 170.8 | 0 | 0 | 0 | 111 | L56 Y63 R64 | L56-I60 HydrophobicContact CD1-CD1 4.14Å; L56-I60 HydrophobicContact CD1-CG1 4.41Å; L56-I60 HydrophobicContact CD2-CD1 4.33Å; L56-I60 HydrophobicContact CG-CD1 3.79Å; L56-I60 HydrophobicContact CG-CG1 4.42Å; L56-I60 VanDerWaalsContact O-CG1 3.31Å; L56-I60 WeakPolarHBondContact O-CG1 3.33Å; L56-I60 PolarHBondContact O-N 3.23Å; I60-Y63 PolarHBondContact O-N 2.62Å; I60-R64 HydrophobicContact CG2-CG 4.48Å; I60-R64 WeakPolarHBondContact O-CB 3.41Å; I60-R64 WeakPolarHBondContact O-CG 3.32Å; I60-R64 PolarHBondContact O-N 3.34Å |
| 61 | K | 74.8 | Confident | 77.4 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -43 | 178.7 | -78.2 | -165.6 | -172 | -163.5 | 0 | 112.2 | L53 Q57 Y58 D59 Y63 R64 L65 F155 I156 | L53-K61 HydrophobicContact CD1-CD 3.6Å; Q57-K61 VanDerWaalsContact O-CB 3.27Å; Q57-K61 WeakPolarHBondContact O-CB 3.5Å; Q57-K61 VanDerWaalsContact O-CG 3.26Å; Q57-K61 WeakPolarHBondContact O-CG 3.49Å; Q57-K61 PolarHBondContact O-N 2.91Å; Y58-K61 PolarHBondContact O-N 3.32Å; D59-K61 PolarHBondContact O-N 2.85Å; K61-Y63 VanDerWaalsContact C-N 3.34Å; K61-Y63 PolarHBondContact O-N 3.35Å; K61-R64 PolarHBondContact O-N 2.99Å; K61-L65 WeakPolarHBondContact O-CB 3.47Å; K61-L65 PolarHBondContact O-N 2.94Å; K61-F155 PolarHBondContact NZ-O 3.44Å; K61-I156 HydrophobicContact CB-CD1 4.1Å; K61-I156 HydrophobicContact CD-CD1 4.03Å; K61-I156 HydrophobicContact CD-CG1 4.1Å; K61-I156 HydrophobicContact CG-CD1 4.33Å |
| 62 | G | 79 | Confident | 77.9 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y58 D59 L65 S66 L96 | Y58-G62 PolarHBondContact O-N 2.97Å; D59-G62 PolarHBondContact O-N 3.06Å; G62-L65 PolarHBondContact O-N 2.74Å; G62-S66 WeakPolarHBondContact O-CB 3.27Å; G62-S66 PolarHBondContact O-N 3.47Å; G62-L96 VanDerWaalsContact O-CD1 3.27Å; G62-L96 WeakPolarHBondContact O-CD1 3.5Å |
| 63 | Y | 79.8 | Confident | 78.6 | Confident | 122 Ų | 122 | 45.9 Ų | 45.9 | 48% | 0.478 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -51 | 175.1 | 175.6 | -101.2 | 0 | 0 | 0 | 111.7 | D59 I60 K61 L65 S66 C67 P231 | D59-Y63 PolarHBondContact O-N 3.42Å; I60-Y63 PolarHBondContact O-N 2.62Å; K61-Y63 VanDerWaalsContact C-N 3.34Å; K61-Y63 PolarHBondContact O-N 3.35Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; Y63-L65 PolarHBondContact O-N 3.21Å; Y63-S66 WeakPolarHBondContact O-CB 3.49Å; Y63-S66 PolarHBondContact O-N 3.17Å; Y63-S66 VanDerWaalsContact O-N 3.09Å; Y63-C67 PolarHBondContact O-N 3.3Å; Y63-C67 PolarHBondContact O-SG 3.31Å; Y63-C67 VanDerWaalsContact O-SG 3.34Å; Y63-P231 HydrophobicContact CE2-CG 4.38Å |
| 64 | R | 79.2 | Confident | 79.2 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.2 | -45.2 | 177.9 | -83.5 | -179.1 | -174.2 | -177.9 | 8.7 | 112.7 | I60 K61 C67 C68 E164 L167 | I60-R64 HydrophobicContact CG2-CG 4.48Å; I60-R64 WeakPolarHBondContact O-CB 3.41Å; I60-R64 WeakPolarHBondContact O-CG 3.32Å; I60-R64 PolarHBondContact O-N 3.34Å; K61-R64 PolarHBondContact O-N 2.99Å; R64-C67 PolarHBondContact O-N 3.15Å; R64-C68 WeakPolarHBondContact O-CB 3.36Å; R64-C68 PolarHBondContact O-N 3.18Å; R64-E164 IonicContact CZ-OE1 3.42Å; R64-E164 IonicContact CZ-OE2 3.07Å; R64-E164 IonicContact NH1-OE2 2.88Å; R64-E164 PolarHBondContact NH1-OE2 3.07Å; R64-E164 IonicContact NH2-OE1 2.86Å; R64-E164 PolarHBondContact NH2-OE1 3.15Å; R64-E164 IonicContact NH2-OE2 3.48Å; R64-E164 PolarHBondContact NH2-OE2 3.46Å; R64-L167 HydrophobicContact CB-CD1 3.73Å; R64-L167 HydrophobicContact CG-CD1 3.92Å |
| 65 | L | 83.2 | Confident | 79.7 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 176.1 | 177.1 | 59.5 | 0 | 0 | 0 | 111.7 | F46 K61 G62 Y63 C67 C68 L69 T93 L96 | F46-L65 HydrophobicContact CE1-CD1 3.66Å; F46-L65 HydrophobicContact CE1-CD2 3.93Å; F46-L65 HydrophobicContact CE1-CG 4.47Å; F46-L65 HydrophobicContact CZ-CD1 4.11Å; K61-L65 WeakPolarHBondContact O-CB 3.47Å; K61-L65 PolarHBondContact O-N 2.94Å; G62-L65 PolarHBondContact O-N 2.74Å; Y63-L65 VanDerWaalsContact C-N 3.33Å; Y63-L65 PolarHBondContact O-N 3.21Å; L65-C67 VanDerWaalsContact C-N 3.27Å; L65-C67 PolarHBondContact O-N 3.29Å; L65-C68 WeakPolarHBondContact O-CB 3.48Å; L65-C68 PolarHBondContact O-N 3.05Å; L65-L69 HydrophobicContact CD1-CD1 4.25Å; L65-L69 HydrophobicContact CD1-CG 4.08Å; L65-L69 HydrophobicContact CG-CD1 4.12Å; L65-L69 HydrophobicContact CG-CG 4.41Å; L65-L69 WeakPolarHBondContact O-CG 3.48Å; L65-L69 PolarHBondContact O-N 3.42Å; L65-T93 HydrophobicContact CD2-CG2 3.51Å; L65-L96 HydrophobicContact CB-CD1 4.28Å; L65-L96 HydrophobicContact CD2-CB 4.42Å; L65-L96 HydrophobicContact CD2-CD1 3.99Å; L65-L96 HydrophobicContact CG-CD1 4.3Å |
| 66 | S | 80.9 | Confident | 80.4 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.6 | -42.6 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | G62 Y63 K70 Y230 | G62-S66 WeakPolarHBondContact O-CB 3.27Å; G62-S66 PolarHBondContact O-N 3.47Å; Y63-S66 WeakPolarHBondContact O-CB 3.49Å; Y63-S66 PolarHBondContact O-N 3.17Å; Y63-S66 VanDerWaalsContact O-N 3.09Å; S66-K70 WeakPolarHBondContact O-CG 3.44Å; S66-K70 PolarHBondContact O-N 2.58Å; S66-K70 VanDerWaalsContact O-N 3.14Å; S66-Y230 WeakPolarHBondContact OG-CE1 3.34Å |
| 67 | C | 80.5 | Confident | 81.4 | Confident | 13 Ų | 13 | 36 Ų | 36 | 9% | 0.088 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.1 | -37.4 | 178.6 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | Y63 R64 L65 L69 K70 A71 F171 | Y63-C67 PolarHBondContact O-N 3.3Å; Y63-C67 PolarHBondContact O-SG 3.31Å; Y63-C67 VanDerWaalsContact O-SG 3.34Å; R64-C67 PolarHBondContact O-N 3.15Å; L65-C67 VanDerWaalsContact C-N 3.27Å; L65-C67 PolarHBondContact O-N 3.29Å; C67-L69 PolarHBondContact O-N 2.98Å; C67-K70 WeakPolarHBondContact O-CB 3.4Å; C67-K70 PolarHBondContact O-N 2.92Å; C67-A71 PolarHBondContact O-N 3.05Å; C67-F171 HydrophobicContact CB-CD1 4.44Å; C67-F171 HydrophobicContact CB-CE1 3.26Å; C67-F171 HydrophobicContact CB-CZ 3.34Å |
| 68 | C | 80.9 | Confident | 82.2 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.9 | -49.1 | 171.5 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | R64 L65 K70 A71 I72 L167 | R64-C68 WeakPolarHBondContact O-CB 3.36Å; R64-C68 PolarHBondContact O-N 3.18Å; L65-C68 WeakPolarHBondContact O-CB 3.48Å; L65-C68 PolarHBondContact O-N 3.05Å; C68-K70 VanDerWaalsContact C-N 3.3Å; C68-K70 PolarHBondContact O-N 2.95Å; C68-A71 PolarHBondContact O-N 3.11Å; C68-A71 VanDerWaalsContact O-N 3.07Å; C68-I72 WeakPolarHBondContact O-CG1 3.36Å; C68-I72 PolarHBondContact O-N 3.12Å; C68-L167 HydrophobicContact CB-CD2 3.87Å |
| 69 | L | 85.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -38.6 | 176.4 | -70.9 | 170.5 | 0 | 0 | 0 | 112.2 | L65 C67 A71 G73 I76 L96 V97 F100 | L65-L69 HydrophobicContact CD1-CD1 4.25Å; L65-L69 HydrophobicContact CD1-CG 4.08Å; L65-L69 HydrophobicContact CG-CD1 4.12Å; L65-L69 HydrophobicContact CG-CG 4.41Å; L65-L69 WeakPolarHBondContact O-CG 3.48Å; L65-L69 PolarHBondContact O-N 3.42Å; C67-L69 PolarHBondContact O-N 2.98Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 3.03Å; L69-G73 WeakPolarHBondContact O-CA 3.48Å; L69-G73 PolarHBondContact O-N 3.13Å; L69-I76 HydrophobicContact CD2-CD1 4.08Å; L69-L96 HydrophobicContact CD1-CB 4.26Å; L69-V97 HydrophobicContact CD1-CG2 4.17Å; L69-F100 HydrophobicContact CB-CB 4.3Å; L69-F100 HydrophobicContact CB-CD1 4.46Å; L69-F100 HydrophobicContact CB-CD2 4.03Å; L69-F100 HydrophobicContact CB-CG 3.99Å; L69-F100 HydrophobicContact CD1-CB 4.18Å; L69-F100 HydrophobicContact CD2-CD1 4.44Å; L69-F100 WeakPolarHBondContact O-CE2 3.11Å; L69-F100 WeakPolarHBondContact O-CZ 3.41Å |
| 70 | K | 81.5 | Confident | 84 | Confident | 83 Ų | 83 | 31.5 Ų | 31.5 | 36% | 0.361 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 173.8 | -73.7 | -178.8 | 177.2 | -169.6 | 0 | 112.4 | S66 C67 C68 P231 | S66-K70 WeakPolarHBondContact O-CG 3.44Å; S66-K70 PolarHBondContact O-N 2.58Å; S66-K70 VanDerWaalsContact O-N 3.14Å; C67-K70 WeakPolarHBondContact O-CB 3.4Å; C67-K70 PolarHBondContact O-N 2.92Å; C68-K70 VanDerWaalsContact C-N 3.3Å; C68-K70 PolarHBondContact O-N 2.95Å; K70-P231 PolarHBondContact NZ-O 3.5Å |
| 71 | A | 79.4 | Confident | 84.8 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 24% | 0.24 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.8 | -46.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | C67 C68 L69 I170 | C67-A71 PolarHBondContact O-N 3.05Å; C68-A71 PolarHBondContact O-N 3.11Å; C68-A71 VanDerWaalsContact O-N 3.07Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 3.03Å; A71-I170 HydrophobicContact CB-CG2 3.87Å |
| 72 | I | 82.5 | Confident | 85.4 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 8% | 0.077 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -120.3 | -7.4 | -170.1 | 62.2 | 157.3 | 0 | 0 | 0 | 114.2 | W41 C68 W74 H75 | W41-I72 HydrophobicContact CB-CB 4.35Å; W41-I72 HydrophobicContact CD2-CB 4.18Å; W41-I72 HydrophobicContact CD2-CD1 4.03Å; W41-I72 HydrophobicContact CD2-CG2 3.8Å; W41-I72 HydrophobicContact CE3-CB 4.28Å; W41-I72 HydrophobicContact CE3-CD1 3.28Å; W41-I72 HydrophobicContact CE3-CG1 4.33Å; W41-I72 HydrophobicContact CE3-CG2 4.02Å; W41-I72 HydrophobicContact CG-CB 4.21Å; W41-I72 HydrophobicContact CG-CG2 4.14Å; W41-I72 HydrophobicContact CZ2-CG2 4.39Å; W41-I72 HydrophobicContact CZ3-CD1 3.74Å; W41-I72 HydrophobicContact CZ3-CG2 4.35Å; C68-I72 WeakPolarHBondContact O-CG1 3.36Å; C68-I72 PolarHBondContact O-N 3.12Å; I72-W74 PolarHBondContact O-N 3.32Å; I72-W74 VanDerWaalsContact O-N 3.1Å; I72-H75 WeakPolarHBondContact O-CB 3.48Å; I72-H75 PolarHBondContact O-N 3.16Å |
| 73 | G | 84.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -60.2 | -28.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L69 H75 I76 F100 | L69-G73 WeakPolarHBondContact O-CA 3.48Å; L69-G73 PolarHBondContact O-N 3.13Å; G73-H75 PolarHBondContact O-N 3.5Å; G73-I76 PolarHBondContact O-N 2.92Å; G73-I76 VanDerWaalsContact O-N 3.17Å; G73-F100 VanDerWaalsContact C-CZ 3.46Å; G73-F100 VanDerWaalsContact CA-CZ 3.47Å |
| 74 | W | 85.7 | Confident | 86.2 | Confident | 46 Ų | 46 | 28.5 Ų | 28.5 | 17% | 0.174 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -64.5 | -22.9 | 176.6 | -54.8 | 95.9 | 0 | 0 | 0 | 113.6 | I72 F100 S104 L107 H241 | I72-W74 PolarHBondContact O-N 3.32Å; I72-W74 VanDerWaalsContact O-N 3.1Å; W74-F100 HydrophobicContact CD2-CZ 4.33Å; W74-F100 HydrophobicContact CG-CZ 4.37Å; W74-S104 VanDerWaalsContact CH2-OG 3.26Å; W74-S104 WeakPolarHBondContact CH2-OG 3.49Å; W74-S104 WeakPolarHBondContact CZ3-OG 3.37Å; W74-L107 HydrophobicContact CH2-CD1 3.83Å; W74-L107 HydrophobicContact CZ2-CD1 4.12Å; W74-H241 HydrophobicContact CD2-CB 4Å; W74-H241 HydrophobicContact CE3-CB 3.75Å; W74-H241 HydrophobicContact CG-CB 4.41Å; W74-H241 HydrophobicContact CZ3-CB 4.15Å |
| 75 | H | 85.8 | Confident | 86.3 | Confident | 48 Ų | 48 | 32.1 Ų | 32.1 | 22% | 0.222 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -89.2 | -15.5 | 178.1 | -57.4 | -43.8 | 0 | 0 | 0 | 112.9 | P38 W41 R42 I72 G73 R77 | P38-H75 HydrophobicContact CB-CB 4.27Å; W41-H75 HydrophobicContact CB-CB 3.86Å; R42-H75 WeakPolarHBondContact CA-O 3.47Å; I72-H75 WeakPolarHBondContact O-CB 3.48Å; I72-H75 PolarHBondContact O-N 3.16Å; G73-H75 PolarHBondContact O-N 3.5Å; H75-R77 PolarHBondContact O-N 2.87Å |
| 76 | I | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -71.2 | 123.1 | -173.7 | -56.9 | 176.5 | 0 | 0 | 0 | 109.5 | I44 L69 G73 Y79 | I44-I76 HydrophobicContact CB-CD1 4.37Å; I44-I76 HydrophobicContact CB-CG2 4.45Å; I44-I76 HydrophobicContact CD1-CD1 4.1Å; I44-I76 HydrophobicContact CG2-CD1 4.16Å; I44-I76 HydrophobicContact CG2-CG2 3.78Å; L69-I76 HydrophobicContact CD2-CD1 4.08Å; G73-I76 PolarHBondContact O-N 2.92Å; G73-I76 VanDerWaalsContact O-N 3.17Å; I76-Y79 HydrophobicContact CB-CE2 4.18Å; I76-Y79 HydrophobicContact CD1-CE1 4.27Å; I76-Y79 HydrophobicContact CG2-CD1 4.4Å; I76-Y79 HydrophobicContact CG2-CD2 3.87Å; I76-Y79 HydrophobicContact CG2-CE1 4.02Å; I76-Y79 HydrophobicContact CG2-CE2 3.46Å; I76-Y79 VanDerWaalsContact CG2-CE2 3.46Å; I76-Y79 HydrophobicContact CG2-CG 4.31Å | ||
| 77 | R | 91.7 | Very high | 86.6 | Confident | 70 Ų | 70 | 35.1 Ų | 35.1 | 26% | 0.264 | 17% | 0.173 | S | C | . | . | trans | -110.8 | -21.5 | 176.2 | -54.6 | -58.2 | -175 | -166.5 | 1.8 | 112.6 | R42 H75 I245 V246 H247 S248 | R42-R77 HydrophobicContact CB-CB 4.41Å; R42-R77 HydrophobicContact CB-CG 4.19Å; R42-R77 HydrophobicContact CG-CG 4.18Å; R42-R77 CarbonylContact O-C 3.5Å; R42-R77 WeakPolarHBondContact O-CA 3.41Å; R42-R77 PolarHBondContact O-N 3.43Å; H75-R77 PolarHBondContact O-N 2.87Å; R77-I245 WeakPolarHBondContact CD-O 3.36Å; R77-I245 PolarHBondContact NH1-O 2.97Å; R77-V246 CarbonylContact O-C 3.57Å; R77-H247 PolarHBondContact O-N 2.88Å; R77-S248 PolarHBondContact O-N 3.16Å; R77-S248 VanDerWaalsContact O-N 3.16Å | ||
| 78 | N | 93.9 | Very high | 86.8 | Confident | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 119.3 | -174.6 | -49.2 | -84.1 | 0 | 0 | 0 | 110.6 | R42 K43 I44 S248 | R42-N78 PolarHBondContact O-N 3.37Å; R42-N78 PolarHBondContact O-ND2 3.38Å; K43-N78 WeakPolarHBondContact CA-O 3.46Å; K43-N78 HydrophobicContact CB-CB 4.29Å; K43-N78 HydrophobicContact CG-CB 4.17Å; I44-N78 PolarHBondContact N-O 2.89Å; N78-S248 WeakPolarHBondContact CA-O 3.34Å; N78-S248 WeakPolarHBondContact OD1-CB 3.4Å |
| 79 | Y | 94.8 | Very high | 87 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.8 | 172.9 | -74.5 | -90.3 | 0 | 0 | 0 | 110 | I44 F46 I76 F81 V97 V246 S248 F249 E250 | I44-Y79 HydrophobicContact CG2-CD1 3.51Å; I44-Y79 HydrophobicContact CG2-CE1 3.77Å; I44-Y79 HydrophobicContact CG2-CG 4.11Å; F46-Y79 AromaticContact CE2-CD1 3.87Å; F46-Y79 HydrophobicContact CE2-CD1 3.87Å; F46-Y79 HydrophobicContact CE2-CE1 4.31Å; I76-Y79 HydrophobicContact CB-CE2 4.18Å; I76-Y79 HydrophobicContact CD1-CE1 4.27Å; I76-Y79 HydrophobicContact CG2-CD1 4.4Å; I76-Y79 HydrophobicContact CG2-CD2 3.87Å; I76-Y79 HydrophobicContact CG2-CE1 4.02Å; I76-Y79 HydrophobicContact CG2-CE2 3.46Å; I76-Y79 VanDerWaalsContact CG2-CE2 3.46Å; I76-Y79 HydrophobicContact CG2-CG 4.31Å; Y79-F81 HydrophobicContact CD1-CE2 4.35Å; Y79-F81 HydrophobicContact CD1-CZ 4.37Å; Y79-V97 HydrophobicContact CD1-CG1 4.21Å; Y79-V97 HydrophobicContact CD1-CG2 4.42Å; Y79-V97 HydrophobicContact CE1-CG1 3.77Å; Y79-V97 HydrophobicContact CE1-CG2 3.96Å; Y79-V246 HydrophobicContact CD2-CG1 3.79Å; Y79-V246 HydrophobicContact CD2-CG2 4.08Å; Y79-V246 HydrophobicContact CE2-CG1 4.28Å; Y79-V246 HydrophobicContact CE2-CG2 3.69Å; Y79-S248 PolarHBondContact N-O 2.96Å; Y79-F249 HydrophobicContact CG-CD2 4.5Å; Y79-F249 WeakPolarHBondContact O-CA 3.5Å; Y79-E250 PolarHBondContact O-N 3.5Å |
| 80 | K | 93.5 | Very high | 87.2 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 126.7 | 171.4 | -179.2 | 170.5 | -171.3 | 130.7 | 0 | 111.1 | I44 V45 F46 L82 E250 | I44-K80 PolarHBondContact O-N 3.09Å; V45-K80 CarbonylContact C-O 3.33Å; V45-K80 WeakPolarHBondContact CA-O 3.45Å; V45-K80 HydrophobicContact CG1-CB 4.35Å; V45-K80 HydrophobicContact CG1-CD 4.36Å; V45-K80 HydrophobicContact CG1-CG 4.26Å; V45-K80 HydrophobicContact CG2-CB 4.21Å; F46-K80 PolarHBondContact N-O 3.3Å; K80-L82 HydrophobicContact CD-CD2 4.02Å; K80-L82 HydrophobicContact CG-CD2 4.06Å; K80-E250 CarbonylContact C-O 3.58Å; K80-E250 WeakPolarHBondContact CA-O 3.33Å; K80-E250 HydrophobicContact CB-CB 4.21Å; K80-E250 VanDerWaalsContact CD-OE2 3.29Å; K80-E250 WeakPolarHBondContact CD-OE2 3.17Å; K80-E250 WeakPolarHBondContact CE-OE2 3.36Å; K80-E250 HydrophobicContact CG-CB 4.04Å; K80-E250 IonicContact NZ-OE2 2.78Å; K80-E250 PolarHBondContact NZ-OE2 3.36Å |
| 81 | F | 93.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.3 | 175.1 | -61.9 | -95 | 0 | 0 | 0 | 108.4 | F46 Y79 L90 T93 L94 V97 F249 E250 L251 D252 | F46-F81 HydrophobicContact CB-CD1 3.71Å; F46-F81 HydrophobicContact CB-CE1 4.11Å; F46-F81 HydrophobicContact CB-CG 4.39Å; F46-F81 HydrophobicContact CD1-CE1 4.3Å; F46-F81 AromaticContact CD2-CD1 3.68Å; F46-F81 HydrophobicContact CD2-CD1 3.68Å; F46-F81 HydrophobicContact CD2-CD2 4.47Å; F46-F81 AromaticContact CD2-CE1 3.35Å; F46-F81 HydrophobicContact CD2-CE1 3.35Å; F46-F81 HydrophobicContact CD2-CE2 4.18Å; F46-F81 HydrophobicContact CD2-CG 4.23Å; F46-F81 AromaticContact CD2-CZ 3.62Å; F46-F81 HydrophobicContact CD2-CZ 3.62Å; F46-F81 AromaticContact CE2-CE1 3.8Å; F46-F81 HydrophobicContact CE2-CE1 3.8Å; F46-F81 HydrophobicContact CE2-CE2 4.41Å; F46-F81 AromaticContact CE2-CZ 3.71Å; F46-F81 HydrophobicContact CE2-CZ 3.71Å; F46-F81 AromaticContact CG-CD1 3.79Å; F46-F81 HydrophobicContact CG-CD1 3.79Å; F46-F81 AromaticContact CG-CE1 3.65Å; F46-F81 HydrophobicContact CG-CE1 3.65Å; F46-F81 HydrophobicContact CG-CZ 4.37Å; F46-F81 HydrophobicContact CZ-CE1 4.42Å; F46-F81 HydrophobicContact CZ-CZ 4.49Å; Y79-F81 HydrophobicContact CD1-CE2 4.35Å; Y79-F81 HydrophobicContact CD1-CZ 4.37Å; F81-L90 HydrophobicContact CB-CD1 4.27Å; F81-L90 HydrophobicContact CD1-CD1 3.88Å; F81-L90 HydrophobicContact CG-CD1 4.34Å; F81-T93 HydrophobicContact CE1-CG2 3.76Å; F81-L94 HydrophobicContact CD1-CD2 4.24Å; F81-L94 HydrophobicContact CD2-CD2 4.15Å; F81-L94 HydrophobicContact CE1-CD2 3.78Å; F81-L94 HydrophobicContact CE1-CG 4.21Å; F81-L94 HydrophobicContact CE2-CD2 3.7Å; F81-L94 HydrophobicContact CG-CD2 4.42Å; F81-L94 HydrophobicContact CZ-CD2 3.5Å; F81-L94 VanDerWaalsContact CZ-CD2 3.5Å; F81-L94 HydrophobicContact CZ-CG 4.38Å; F81-V97 HydrophobicContact CZ-CG2 4.27Å; F81-F249 HydrophobicContact CD2-CE2 4.17Å; F81-F249 HydrophobicContact CD2-CZ 4.18Å; F81-F249 HydrophobicContact CE2-CD2 4.42Å; F81-F249 AromaticContact CE2-CE2 3.58Å; F81-F249 HydrophobicContact CE2-CE2 3.58Å; F81-F249 AromaticContact CE2-CZ 3.96Å; F81-F249 HydrophobicContact CE2-CZ 3.96Å; F81-E250 PolarHBondContact N-O 2.9Å; F81-L251 HydrophobicContact CB-CD1 3.57Å; F81-L251 HydrophobicContact CG-CD1 4.24Å; F81-D252 PolarHBondContact O-N 3.38Å |
| 82 | L | 88.8 | Confident | 88 | Confident | 49 Ų | 49 | 38.9 Ų | 38.9 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | trans | -79.5 | 159.3 | 176.8 | -56.1 | -175.1 | 0 | 0 | 0 | 110.8 | V45 F46 K47 K80 T84 | V45-L82 HydrophobicContact CG1-CD1 4.19Å; V45-L82 HydrophobicContact CG1-CD2 4.25Å; V45-L82 HydrophobicContact CG1-CG 4.03Å; F46-L82 PolarHBondContact O-N 2.99Å; F46-L82 VanDerWaalsContact O-N 3.1Å; K47-L82 HydrophobicContact CB-CD1 4.35Å; K47-L82 HydrophobicContact CD-CD1 4.11Å; K47-L82 HydrophobicContact CG-CD1 3.75Å; K80-L82 HydrophobicContact CD-CD2 4.02Å; K80-L82 HydrophobicContact CG-CD2 4.06Å; L82-T84 PolarHBondContact O-N 2.7Å | ||
| 83 | K | 88.1 | Confident | 88.4 | Confident | 94 Ų | 94 | 38.7 Ų | 38.7 | 41% | 0.409 | 18% | 0.183 | S | C | . | . | trans | -50.4 | 134.3 | 174.1 | -63.9 | -172.7 | 172.2 | -174.3 | 0 | 110.9 | P48 D252 N254 D292 | P48-K83 WeakPolarHBondContact CG-O 3.4Å; K83-D252 VanDerWaalsContact CA-O 3.27Å; K83-D252 WeakPolarHBondContact CA-O 3.48Å; K83-D252 HydrophobicContact CG-CB 3.62Å; K83-D252 PolarHBondContact N-O 3Å; K83-N254 HydrophobicContact CB-CB 4.27Å; K83-D292 WeakPolarHBondContact CE-OD2 3.28Å; K83-D292 IonicContact NZ-OD2 2.68Å; K83-D292 PolarHBondContact NZ-OD2 2.86Å | ||
| 84 | T | 85.9 | Confident | 88.8 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.08 | 18% | 0.183 | C | C | . | . | trans | -148.1 | 135.6 | 179.4 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | P48 L82 D86 L90 N254 | P48-T84 WeakPolarHBondContact CB-OG1 3.21Å; L82-T84 PolarHBondContact O-N 2.7Å; T84-D86 PolarHBondContact O-N 3.04Å; T84-D86 PolarHBondContact OG1-N 3.02Å; T84-L90 HydrophobicContact CG2-CB 3.89Å; T84-L90 HydrophobicContact CG2-CD2 4.24Å; T84-L90 HydrophobicContact CG2-CG 4.48Å; T84-N254 VanDerWaalsContact O-CB 3.28Å; T84-N254 WeakPolarHBondContact O-CB 3.35Å | ||
| 85 | D | 82.7 | Confident | 89.2 | Confident | 134 Ų | 134 | 38.2 Ų | 38.2 | 72% | 0.717 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -70.9 | -18 | 170.6 | -53.4 | -41.3 | 0 | 0 | 0 | 112.3 | L87 N254 | D85-L87 PolarHBondContact O-N 3.16Å; D85-L87 VanDerWaalsContact O-N 3.11Å; D85-N254 PolarHBondContact OD1-ND2 2.87Å |
| 86 | D | 85.6 | Confident | 89.4 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | trans | -89.5 | 73.2 | -177.9 | -168.2 | -13.7 | 0 | 0 | 0 | 111.2 | Y58 T84 F88 L89 L90 | Y58-D86 WeakPolarHBondContact CE1-OD2 3.49Å; Y58-D86 PolarHBondContact OH-OD1 3.03Å; Y58-D86 PolarHBondContact OH-OD2 3.36Å; T84-D86 PolarHBondContact O-N 3.04Å; T84-D86 PolarHBondContact OG1-N 3.02Å; D86-F88 PolarHBondContact O-N 3.25Å; D86-F88 VanDerWaalsContact O-N 3.16Å; D86-F88 PolarHBondContact OD1-N 2.74Å; D86-L89 HydrophobicContact CB-CB 4.06Å; D86-L89 VanDerWaalsContact CG-CB 3.42Å; D86-L89 PolarHBondContact O-N 3.1Å; D86-L89 VanDerWaalsContact O-N 3.11Å; D86-L89 PolarHBondContact OD1-N 2.81Å; D86-L89 WeakPolarHBondContact OD2-CB 3.35Å; D86-L90 PolarHBondContact O-N 3.46Å | ||
| 87 | L | 84.8 | Confident | 89.6 | Confident | 54 Ų | 54 | 36.5 Ų | 36.5 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.1 | -26.4 | 180 | -57 | -174.1 | 0 | 0 | 0 | 112.6 | D85 N91 F253 | D85-L87 PolarHBondContact O-N 3.16Å; D85-L87 VanDerWaalsContact O-N 3.11Å; L87-N91 VanDerWaalsContact O-CB 3.31Å; L87-N91 WeakPolarHBondContact O-CB 3.47Å; L87-N91 PolarHBondContact O-N 2.83Å; L87-F253 HydrophobicContact CD1-CE2 4.49Å; L87-F253 HydrophobicContact CD1-CZ 4.08Å; L87-F253 HydrophobicContact CD2-CD2 4.43Å; L87-F253 HydrophobicContact CD2-CE2 3.58Å; L87-F253 HydrophobicContact CD2-CZ 3.84Å |
| 88 | F | 83.4 | Confident | 89.7 | Confident | 109 Ų | 109 | 33.1 Ų | 33.1 | 48% | 0.478 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69.7 | -46 | 175.6 | -178.6 | -95.6 | 0 | 0 | 0 | 111.4 | Y58 D86 L90 N91 R92 | Y58-F88 HydrophobicContact CD1-CD1 4.08Å; Y58-F88 HydrophobicContact CD1-CE1 4.29Å; Y58-F88 AromaticContact CE1-CD1 3.98Å; Y58-F88 HydrophobicContact CE1-CD1 3.98Å; D86-F88 PolarHBondContact O-N 3.25Å; D86-F88 VanDerWaalsContact O-N 3.16Å; D86-F88 PolarHBondContact OD1-N 2.74Å; F88-L90 VanDerWaalsContact C-N 3.34Å; F88-N91 PolarHBondContact O-N 3.5Å; F88-R92 WeakPolarHBondContact O-CB 3.43Å; F88-R92 PolarHBondContact O-N 3.5Å |
| 89 | L | 85 | Confident | 89.5 | Confident | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 173.8 | -171.5 | 56.7 | 0 | 0 | 0 | 111.3 | P49 L53 Y58 D86 R92 T93 | P49-L89 HydrophobicContact CG-CD2 3.88Å; L53-L89 HydrophobicContact CD1-CD2 4.06Å; Y58-L89 HydrophobicContact CD1-CB 4.45Å; Y58-L89 HydrophobicContact CD1-CD1 3.86Å; Y58-L89 HydrophobicContact CE1-CB 3.9Å; Y58-L89 HydrophobicContact CE1-CD1 4.11Å; Y58-L89 HydrophobicContact CE1-CG 4.45Å; D86-L89 HydrophobicContact CB-CB 4.06Å; D86-L89 VanDerWaalsContact CG-CB 3.42Å; D86-L89 PolarHBondContact O-N 3.1Å; D86-L89 VanDerWaalsContact O-N 3.11Å; D86-L89 PolarHBondContact OD1-N 2.81Å; D86-L89 WeakPolarHBondContact OD2-CB 3.35Å; L89-R92 PolarHBondContact O-N 3.21Å; L89-T93 VanDerWaalsContact O-CB 3.31Å; L89-T93 WeakPolarHBondContact O-CB 3.46Å; L89-T93 PolarHBondContact O-N 3.07Å; L89-T93 PolarHBondContact O-OG1 2.88Å |
| 90 | L | 90.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.1 | -53.6 | 178.5 | 176.5 | 61.4 | 0 | 0 | 0 | 110.5 | F81 T84 D86 F88 R92 T93 L94 L251 F253 L271 | F81-L90 HydrophobicContact CB-CD1 4.27Å; F81-L90 HydrophobicContact CD1-CD1 3.88Å; F81-L90 HydrophobicContact CG-CD1 4.34Å; T84-L90 HydrophobicContact CG2-CB 3.89Å; T84-L90 HydrophobicContact CG2-CD2 4.24Å; T84-L90 HydrophobicContact CG2-CG 4.48Å; D86-L90 PolarHBondContact O-N 3.46Å; F88-L90 VanDerWaalsContact C-N 3.34Å; L90-R92 VanDerWaalsContact C-N 3.29Å; L90-R92 PolarHBondContact O-N 3.36Å; L90-T93 PolarHBondContact O-N 2.98Å; L90-T93 VanDerWaalsContact O-N 3.16Å; L90-L94 HydrophobicContact CD1-CD1 3.89Å; L90-L94 HydrophobicContact CD1-CG 4.13Å; L90-L94 HydrophobicContact CG-CD1 3.94Å; L90-L94 WeakPolarHBondContact O-CG 3.21Å; L90-L94 PolarHBondContact O-N 3.06Å; L90-L251 HydrophobicContact CD1-CD1 3.98Å; L90-L251 HydrophobicContact CD2-CD1 4.22Å; L90-F253 HydrophobicContact CD2-CD2 4.21Å; L90-F253 HydrophobicContact CD2-CE2 4.45Å; L90-L271 HydrophobicContact CD2-CD2 4.28Å; L90-L271 HydrophobicContact CG-CD1 4.42Å |
| 91 | N | 89.7 | Confident | 89.2 | Confident | 34 Ų | 34 | 34.4 Ų | 34.4 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 179.4 | -168.3 | 30.8 | 0 | 0 | 0 | 111.8 | L87 F88 N95 L271 T274 | L87-N91 VanDerWaalsContact O-CB 3.31Å; L87-N91 WeakPolarHBondContact O-CB 3.47Å; L87-N91 PolarHBondContact O-N 2.83Å; F88-N91 PolarHBondContact O-N 3.5Å; N91-N95 WeakPolarHBondContact O-CB 3.39Å; N91-N95 PolarHBondContact O-N 2.97Å; N91-N95 PolarHBondContact O-ND2 2.93Å; N91-N95 PolarHBondContact OD1-ND2 2.8Å; N91-L271 HydrophobicContact CB-CD1 3.79Å; N91-T274 VanDerWaalsContact OD1-CB 3.28Å; N91-T274 WeakPolarHBondContact OD1-CB 3.04Å; N91-T274 PolarHBondContact OD1-OG1 3.48Å |
| 92 | R | 87.7 | Confident | 89 | Confident | 44 Ų | 44 | 36.6 Ų | 36.6 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 177 | -174.9 | 176.1 | -180 | 104.4 | -0.2 | 111.9 | D59 F88 L89 L90 N95 L96 S227 | D59-R92 IonicContact OD1-CZ 2.93Å; D59-R92 IonicContact OD1-NH1 3.67Å; D59-R92 IonicContact OD1-NH2 2.94Å; D59-R92 PolarHBondContact OD1-NH2 3.08Å; F88-R92 WeakPolarHBondContact O-CB 3.43Å; F88-R92 PolarHBondContact O-N 3.5Å; L89-R92 PolarHBondContact O-N 3.21Å; L90-R92 VanDerWaalsContact C-N 3.29Å; L90-R92 PolarHBondContact O-N 3.36Å; R92-N95 WeakPolarHBondContact O-CB 3.46Å; R92-N95 PolarHBondContact O-N 2.98Å; R92-L96 WeakPolarHBondContact O-CG 3.4Å; R92-L96 PolarHBondContact O-N 3.39Å; R92-S227 PolarHBondContact NH2-OG 3.49Å |
| 93 | T | 90.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.5 | -49.8 | 179.4 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | F46 L65 F81 L89 L90 N95 L96 V97 | F46-T93 HydrophobicContact CD1-CG2 3.48Å; F46-T93 VanDerWaalsContact CD1-CG2 3.48Å; F46-T93 HydrophobicContact CE1-CG2 3.54Å; F46-T93 HydrophobicContact CG-CG2 4.13Å; F46-T93 HydrophobicContact CZ-CG2 4.24Å; L65-T93 HydrophobicContact CD2-CG2 3.51Å; F81-T93 HydrophobicContact CE1-CG2 3.76Å; L89-T93 VanDerWaalsContact O-CB 3.31Å; L89-T93 WeakPolarHBondContact O-CB 3.46Å; L89-T93 PolarHBondContact O-N 3.07Å; L89-T93 PolarHBondContact O-OG1 2.88Å; L90-T93 PolarHBondContact O-N 2.98Å; L90-T93 VanDerWaalsContact O-N 3.16Å; T93-N95 VanDerWaalsContact C-N 3.28Å; T93-N95 PolarHBondContact O-N 3.2Å; T93-L96 PolarHBondContact O-N 3.35Å; T93-L96 VanDerWaalsContact O-N 3.09Å; T93-V97 PolarHBondContact O-N 3.45Å |
| 94 | L | 93.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 174.4 | -71.7 | 169.4 | 0 | 0 | 0 | 111.9 | F81 L90 L96 V97 A98 F249 L271 T274 I275 V278 | F81-L94 HydrophobicContact CD1-CD2 4.24Å; F81-L94 HydrophobicContact CD2-CD2 4.15Å; F81-L94 HydrophobicContact CE1-CD2 3.78Å; F81-L94 HydrophobicContact CE1-CG 4.21Å; F81-L94 HydrophobicContact CE2-CD2 3.7Å; F81-L94 HydrophobicContact CG-CD2 4.42Å; F81-L94 HydrophobicContact CZ-CD2 3.5Å; F81-L94 VanDerWaalsContact CZ-CD2 3.5Å; F81-L94 HydrophobicContact CZ-CG 4.38Å; L90-L94 HydrophobicContact CD1-CD1 3.89Å; L90-L94 HydrophobicContact CD1-CG 4.13Å; L90-L94 HydrophobicContact CG-CD1 3.94Å; L90-L94 WeakPolarHBondContact O-CG 3.21Å; L90-L94 PolarHBondContact O-N 3.06Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.02Å; L94-V97 PolarHBondContact O-N 3.32Å; L94-A98 WeakPolarHBondContact O-CB 3.28Å; L94-A98 PolarHBondContact O-N 3.27Å; L94-F249 HydrophobicContact CD2-CE2 4.35Å; L94-F249 HydrophobicContact CD2-CZ 3.94Å; L94-L271 HydrophobicContact CD1-CD1 3.8Å; L94-T274 HydrophobicContact CB-CG2 3.6Å; L94-I275 HydrophobicContact CD1-CG1 4.02Å; L94-V278 HydrophobicContact CB-CG2 4.45Å; L94-V278 HydrophobicContact CD2-CG2 4.36Å |
| 95 | N | 93.1 | Very high | 88.1 | Confident | 35 Ų | 35 | 39.7 Ų | 39.7 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -36.7 | 175.5 | -90.9 | -68.1 | 0 | 0 | 0 | 113 | N91 R92 T93 K99 T274 R277 | N91-N95 WeakPolarHBondContact O-CB 3.39Å; N91-N95 PolarHBondContact O-N 2.97Å; N91-N95 PolarHBondContact O-ND2 2.93Å; N91-N95 PolarHBondContact OD1-ND2 2.8Å; R92-N95 WeakPolarHBondContact O-CB 3.46Å; R92-N95 PolarHBondContact O-N 2.98Å; T93-N95 VanDerWaalsContact C-N 3.28Å; T93-N95 PolarHBondContact O-N 3.2Å; N95-K99 WeakPolarHBondContact O-CB 3.38Å; N95-K99 VanDerWaalsContact O-CG 3.29Å; N95-K99 WeakPolarHBondContact O-CG 3.11Å; N95-K99 PolarHBondContact O-N 2.98Å; N95-T274 HydrophobicContact CB-CG2 4.13Å; N95-T274 VanDerWaalsContact CG-CG2 3.44Å; N95-T274 WeakPolarHBondContact ND2-CG2 3.39Å; N95-T274 PolarHBondContact ND2-OG1 2.96Å; N95-R277 PolarHBondContact OD1-NH1 2.92Å; N95-R277 VanDerWaalsContact OD1-NH1 3.13Å |
| 96 | L | 91.7 | Very high | 87.8 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.063 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.9 | -40.1 | 175 | -71.9 | 170.8 | 0 | 0 | 0 | 111.2 | G62 L65 L69 R92 T93 L94 K99 F100 Y230 | G62-L96 VanDerWaalsContact O-CD1 3.27Å; G62-L96 WeakPolarHBondContact O-CD1 3.5Å; L65-L96 HydrophobicContact CB-CD1 4.28Å; L65-L96 HydrophobicContact CD2-CB 4.42Å; L65-L96 HydrophobicContact CD2-CD1 3.99Å; L65-L96 HydrophobicContact CG-CD1 4.3Å; L69-L96 HydrophobicContact CD1-CB 4.26Å; R92-L96 WeakPolarHBondContact O-CG 3.4Å; R92-L96 PolarHBondContact O-N 3.39Å; T93-L96 PolarHBondContact O-N 3.35Å; T93-L96 VanDerWaalsContact O-N 3.09Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.02Å; L96-K99 PolarHBondContact O-N 3.09Å; L96-F100 WeakPolarHBondContact O-CB 3.24Å; L96-F100 PolarHBondContact O-N 3.28Å; L96-Y230 HydrophobicContact CD2-CE2 4.21Å; L96-Y230 PolarHBondContact O-OH 2.92Å |
| 97 | V | 93 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -49.2 | 173.4 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | F46 L69 Y79 F81 T93 L94 K99 F100 L101 V278 | F46-V97 HydrophobicContact CZ-CG2 4.33Å; L69-V97 HydrophobicContact CD1-CG2 4.17Å; Y79-V97 HydrophobicContact CD1-CG1 4.21Å; Y79-V97 HydrophobicContact CD1-CG2 4.42Å; Y79-V97 HydrophobicContact CE1-CG1 3.77Å; Y79-V97 HydrophobicContact CE1-CG2 3.96Å; F81-V97 HydrophobicContact CZ-CG2 4.27Å; T93-V97 PolarHBondContact O-N 3.45Å; L94-V97 PolarHBondContact O-N 3.32Å; V97-K99 PolarHBondContact O-N 3.34Å; V97-F100 PolarHBondContact O-N 3.42Å; V97-F100 VanDerWaalsContact O-N 3.15Å; V97-L101 HydrophobicContact CG1-CD1 3.87Å; V97-L101 HydrophobicContact CG1-CG 4.29Å; V97-L101 WeakPolarHBondContact O-CG 3.41Å; V97-L101 PolarHBondContact O-N 3.48Å; V97-V278 HydrophobicContact CG1-CG1 4.42Å |
| 98 | A | 93.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.7 | -50.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L94 F100 L101 E102 R277 V278 | L94-A98 WeakPolarHBondContact O-CB 3.28Å; L94-A98 PolarHBondContact O-N 3.27Å; A98-F100 VanDerWaalsContact C-N 3.32Å; A98-F100 PolarHBondContact O-N 3.01Å; A98-L101 PolarHBondContact O-N 3.35Å; A98-E102 WeakPolarHBondContact O-CB 3.5Å; A98-E102 WeakPolarHBondContact O-CG 3.04Å; A98-E102 PolarHBondContact O-N 2.66Å; A98-R277 HydrophobicContact CB-CB 4.19Å; A98-V278 HydrophobicContact CB-CG2 3.75Å |
| 99 | K | 90.5 | Very high | 85.2 | Confident | 73 Ų | 73 | 37.5 Ų | 37.5 | 32% | 0.317 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 178.1 | -77.6 | -178.9 | 179 | -170.4 | 0 | 112.9 | N95 L96 V97 Y103 S228 Y230 | N95-K99 WeakPolarHBondContact O-CB 3.38Å; N95-K99 VanDerWaalsContact O-CG 3.29Å; N95-K99 WeakPolarHBondContact O-CG 3.11Å; N95-K99 PolarHBondContact O-N 2.98Å; L96-K99 PolarHBondContact O-N 3.09Å; V97-K99 PolarHBondContact O-N 3.34Å; K99-Y103 VanDerWaalsContact O-CB 3.27Å; K99-Y103 WeakPolarHBondContact O-CB 3.28Å; K99-Y103 PolarHBondContact O-N 3.47Å; K99-S228 PolarHBondContact NZ-O 3.4Å; K99-Y230 HydrophobicContact CB-CE2 3.69Å; K99-Y230 HydrophobicContact CD-CD2 4.09Å; K99-Y230 HydrophobicContact CD-CE2 3.7Å; K99-Y230 HydrophobicContact CG-CE2 4.36Å |
| 100 | F | 90.7 | Very high | 83.9 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -49.5 | 176.9 | 172.7 | -103.6 | 0 | 0 | 0 | 111.1 | L69 G73 W74 L96 V97 A98 Y103 S104 P244 | L69-F100 HydrophobicContact CB-CB 4.3Å; L69-F100 HydrophobicContact CB-CD1 4.46Å; L69-F100 HydrophobicContact CB-CD2 4.03Å; L69-F100 HydrophobicContact CB-CG 3.99Å; L69-F100 HydrophobicContact CD1-CB 4.18Å; L69-F100 HydrophobicContact CD2-CD1 4.44Å; L69-F100 WeakPolarHBondContact O-CE2 3.11Å; L69-F100 WeakPolarHBondContact O-CZ 3.41Å; G73-F100 VanDerWaalsContact C-CZ 3.46Å; G73-F100 VanDerWaalsContact CA-CZ 3.47Å; W74-F100 HydrophobicContact CD2-CZ 4.33Å; W74-F100 HydrophobicContact CG-CZ 4.37Å; L96-F100 WeakPolarHBondContact O-CB 3.24Å; L96-F100 PolarHBondContact O-N 3.28Å; V97-F100 PolarHBondContact O-N 3.42Å; V97-F100 VanDerWaalsContact O-N 3.15Å; A98-F100 VanDerWaalsContact C-N 3.32Å; A98-F100 PolarHBondContact O-N 3.01Å; F100-Y103 PolarHBondContact O-N 2.96Å; F100-S104 PolarHBondContact O-N 3.39Å; F100-S104 PolarHBondContact O-OG 3.23Å; F100-P244 HydrophobicContact CE1-CG 4Å |
| 101 | L | 91 | Very high | 82.2 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 179.6 | -63.4 | 175 | 0 | 0 | 0 | 112 | V97 A98 Y103 S104 F105 P244 V246 V278 Q281 L282 | V97-L101 HydrophobicContact CG1-CD1 3.87Å; V97-L101 HydrophobicContact CG1-CG 4.29Å; V97-L101 WeakPolarHBondContact O-CG 3.41Å; V97-L101 PolarHBondContact O-N 3.48Å; A98-L101 PolarHBondContact O-N 3.35Å; L101-Y103 VanDerWaalsContact C-N 3.3Å; L101-Y103 PolarHBondContact O-N 3.26Å; L101-S104 PolarHBondContact O-N 3.3Å; L101-F105 PolarHBondContact O-N 2.94Å; L101-P244 HydrophobicContact CD2-CB 4.47Å; L101-P244 HydrophobicContact CD2-CG 3.51Å; L101-V246 HydrophobicContact CD2-CG2 4.32Å; L101-V278 HydrophobicContact CD1-CG1 4.19Å; L101-Q281 HydrophobicContact CB-CB 3.67Å; L101-Q281 HydrophobicContact CB-CG 3.86Å; L101-Q281 HydrophobicContact CD1-CB 4.11Å; L101-Q281 HydrophobicContact CG-CB 4.49Å; L101-L282 HydrophobicContact CD1-CD2 3.9Å |
| 102 | E | 90 | Very high | 80.4 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 175.2 | -73.2 | 166.9 | -173.9 | 0 | 0 | 111.8 | A98 K106 R277 Q281 | A98-E102 WeakPolarHBondContact O-CB 3.5Å; A98-E102 WeakPolarHBondContact O-CG 3.04Å; A98-E102 PolarHBondContact O-N 2.66Å; E102-K106 WeakPolarHBondContact O-CG 3.41Å; E102-K106 PolarHBondContact O-N 3.11Å; E102-R277 IonicContact OE1-CZ 2.75Å; E102-R277 VanDerWaalsContact OE1-CZ 3.23Å; E102-R277 IonicContact OE1-NE 3.65Å; E102-R277 PolarHBondContact OE1-NE 3.16Å; E102-R277 IonicContact OE1-NH2 3.93Å; E102-R277 PolarHBondContact OE1-NH2 2.9Å; E102-R277 IonicContact OE2-CZ 3.75Å; E102-R277 IonicContact OE2-NH2 3.93Å; E102-R277 PolarHBondContact OE2-NH2 3.32Å; E102-Q281 HydrophobicContact CG-CG 4.09Å |
| 103 | Y | 85.8 | Confident | 78.2 | Confident | 137 Ų | 137 | 56.6 Ų | 56.6 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 176.8 | 178.3 | -100 | 0 | 0 | 0 | 111.8 | K99 F100 L101 F105 K106 L107 | K99-Y103 VanDerWaalsContact O-CB 3.27Å; K99-Y103 WeakPolarHBondContact O-CB 3.28Å; K99-Y103 PolarHBondContact O-N 3.47Å; F100-Y103 PolarHBondContact O-N 2.96Å; L101-Y103 VanDerWaalsContact C-N 3.3Å; L101-Y103 PolarHBondContact O-N 3.26Å; Y103-F105 VanDerWaalsContact C-N 3.27Å; Y103-F105 PolarHBondContact O-N 3.35Å; Y103-K106 PolarHBondContact O-N 2.93Å; Y103-L107 HydrophobicContact CD1-CD1 3.91Å; Y103-L107 HydrophobicContact CE1-CD1 3.33Å; Y103-L107 HydrophobicContact CE1-CG 4.08Å; Y103-L107 PolarHBondContact O-N 3.14Å; Y103-L107 VanDerWaalsContact O-N 3.17Å |
| 104 | S | 81 | Confident | 75.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 176.9 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | W74 F100 L101 D108 P244 | W74-S104 VanDerWaalsContact CH2-OG 3.26Å; W74-S104 WeakPolarHBondContact CH2-OG 3.49Å; W74-S104 WeakPolarHBondContact CZ3-OG 3.37Å; F100-S104 PolarHBondContact O-N 3.39Å; F100-S104 PolarHBondContact O-OG 3.23Å; L101-S104 PolarHBondContact O-N 3.3Å; S104-D108 PolarHBondContact O-N 3.35Å; S104-P244 VanDerWaalsContact CB-CD 3.41Å |
| 105 | F | 75.6 | Confident | 73.2 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 175.6 | -170.2 | -93.5 | 0 | 0 | 0 | 112.3 | L101 Y103 L107 D108 V109 | L101-F105 PolarHBondContact O-N 2.94Å; Y103-F105 VanDerWaalsContact C-N 3.27Å; Y103-F105 PolarHBondContact O-N 3.35Å; F105-L107 VanDerWaalsContact C-N 3.28Å; F105-L107 PolarHBondContact O-N 3.34Å; F105-D108 VanDerWaalsContact O-CB 3.3Å; F105-D108 WeakPolarHBondContact O-CB 3.49Å; F105-D108 PolarHBondContact O-N 3.2Å; F105-V109 HydrophobicContact CD1-CG2 4.18Å; F105-V109 HydrophobicContact CE1-CG2 3.84Å; F105-V109 HydrophobicContact CZ-CG2 4.49Å; F105-V109 PolarHBondContact O-N 3.49Å |
| 106 | K | 76.7 | Confident | 70.4 | Confident | 131 Ų | 131 | 74.1 Ų | 74.1 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.9 | -36.3 | 177.2 | -74.4 | 179.7 | -179.1 | -173.1 | 0 | 113.1 | E102 Y103 D108 V109 Q110 | E102-K106 WeakPolarHBondContact O-CG 3.41Å; E102-K106 PolarHBondContact O-N 3.11Å; Y103-K106 PolarHBondContact O-N 2.93Å; K106-D108 PolarHBondContact O-N 3.36Å; K106-V109 PolarHBondContact O-N 3Å; K106-Q110 PolarHBondContact O-N 3.19Å; K106-Q110 VanDerWaalsContact O-N 3.14Å |
| 107 | L | 71.3 | Confident | 67.6 | Low | 46 Ų | 46 | 77.2 Ų | 77.2 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.6 | -25.4 | 175.3 | -74 | 175.6 | 0 | 0 | 0 | 113 | W74 Y103 F105 K111 | W74-L107 HydrophobicContact CH2-CD1 3.83Å; W74-L107 HydrophobicContact CZ2-CD1 4.12Å; Y103-L107 HydrophobicContact CD1-CD1 3.91Å; Y103-L107 HydrophobicContact CE1-CD1 3.33Å; Y103-L107 HydrophobicContact CE1-CG 4.08Å; Y103-L107 PolarHBondContact O-N 3.14Å; Y103-L107 VanDerWaalsContact O-N 3.17Å; F105-L107 VanDerWaalsContact C-N 3.28Å; F105-L107 PolarHBondContact O-N 3.34Å; L107-K111 WeakPolarHBondContact O-CD 3.28Å; L107-K111 VanDerWaalsContact O-CG 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.43Å |
| 108 | D | 67 | Low | 64.6 | Low | 30 Ų | 30 | 82.6 Ų | 82.6 | 16% | 0.16 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -75.5 | -44.1 | 175 | -155.4 | 48.9 | 0 | 0 | 0 | 111.2 | S104 F105 K106 Q110 K111 N112 H242 P243 | S104-D108 PolarHBondContact O-N 3.35Å; F105-D108 VanDerWaalsContact O-CB 3.3Å; F105-D108 WeakPolarHBondContact O-CB 3.49Å; F105-D108 PolarHBondContact O-N 3.2Å; K106-D108 PolarHBondContact O-N 3.36Å; D108-Q110 PolarHBondContact O-N 3.43Å; D108-K111 WeakPolarHBondContact O-CB 3.32Å; D108-K111 PolarHBondContact O-N 3.24Å; D108-K111 VanDerWaalsContact O-N 3.17Å; D108-N112 PolarHBondContact O-N 3.26Å; D108-N112 PolarHBondContact O-ND2 3.18Å; D108-H242 IonicContact OD1-ND1 3.6Å; D108-P243 HydrophobicContact CB-CG 3.98Å; D108-P243 VanDerWaalsContact OD1-CD 3.27Å; D108-P243 WeakPolarHBondContact OD1-CD 3.29Å |
| 109 | V | 62.6 | Low | 61.6 | Low | 70 Ų | 70 | 89.1 Ų | 89.1 | 42% | 0.424 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 178.9 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | F105 K106 K111 N112 E113 | F105-V109 HydrophobicContact CD1-CG2 4.18Å; F105-V109 HydrophobicContact CE1-CG2 3.84Å; F105-V109 HydrophobicContact CZ-CG2 4.49Å; F105-V109 PolarHBondContact O-N 3.49Å; K106-V109 PolarHBondContact O-N 3Å; V109-K111 PolarHBondContact O-N 3.37Å; V109-N112 PolarHBondContact O-N 2.98Å; V109-E113 PolarHBondContact O-N 2.83Å |
| 110 | Q | 57 | Low | 58.8 | Low | 136 Ų | 136 | 90.6 Ų | 90.6 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.7 | -23.6 | 178.4 | -73.7 | -178.8 | -13.5 | 0 | 0 | 113.6 | K106 D108 | K106-Q110 PolarHBondContact O-N 3.19Å; K106-Q110 VanDerWaalsContact O-N 3.14Å; D108-Q110 PolarHBondContact O-N 3.43Å |
| 111 | K | 55.2 | Low | 55.9 | Low | 116 Ų | 116 | 98.2 Ų | 98.2 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -78.3 | -26.6 | 173.9 | -71.6 | 170.4 | -174.5 | 175.4 | 0 | 112.4 | L107 D108 V109 H241 | L107-K111 WeakPolarHBondContact O-CD 3.28Å; L107-K111 VanDerWaalsContact O-CG 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.43Å; D108-K111 WeakPolarHBondContact O-CB 3.32Å; D108-K111 PolarHBondContact O-N 3.24Å; D108-K111 VanDerWaalsContact O-N 3.17Å; V109-K111 PolarHBondContact O-N 3.37Å; K111-H241 PolarHBondContact NZ-O 3.39Å; K111-H241 VanDerWaalsContact NZ-O 3.09Å |
| 112 | N | 51.6 | Low | 53 | Low | 116 Ų | 116 | 101.1 Ų | 101.1 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -93.5 | -6.1 | -176.5 | -67.4 | -24.1 | 0 | 0 | 0 | 113.4 | D108 V109 P114 | D108-N112 PolarHBondContact O-N 3.26Å; D108-N112 PolarHBondContact O-ND2 3.18Å; V109-N112 PolarHBondContact O-N 2.98Å; N112-P114 VanDerWaalsContact O-CD 3.3Å; N112-P114 WeakPolarHBondContact O-CD 3.45Å |
| 113 | E | 40.2 | Very low | 50.1 | Low | 135 Ų | 135 | 106.8 Ų | 106.8 | 63% | 0.631 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -67.1 | 115.5 | 167.2 | -79.8 | -174.4 | 160.8 | 0 | 0 | 108.6 | V109 N115 | V109-E113 PolarHBondContact O-N 2.83Å; E113-N115 PolarHBondContact O-N 3.04Å |
| 114 | P | 40.9 | Very low | 47.5 | Very low | 97 Ų | 97 | 108.3 Ų | 108.3 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | trans | -63.4 | 126.1 | 179.6 | 25.8 | -31.3 | 0 | 0 | 0 | 107.8 | N112 N116 | N112-P114 VanDerWaalsContact O-CD 3.3Å; N112-P114 WeakPolarHBondContact O-CD 3.45Å; P114-N116 PolarHBondContact O-N 3.4Å | ||
| 115 | N | 39.3 | Very low | 45 | Very low | 162 Ų | 162 | 116.8 Ų | 116.8 | 87% | 0.866 | 64% | 0.638 | S | S | * | * | trans | -58.1 | 78.4 | 160.4 | -73.7 | -32.7 | 0 | 0 | 0 | 108.4 | E113 A117 | E113-N115 PolarHBondContact O-N 3.04Å; N115-A117 PolarHBondContact O-N 2.97Å | ||
| 116 | N | 32.9 | Very low | 42.6 | Very low | 154 Ų | 154 | 118.1 Ų | 118.1 | 82% | 0.824 | 66% | 0.658 | S | S | * | * | trans | -74 | 70.5 | 163.1 | -85 | -16.4 | 0 | 0 | 0 | 106.9 | P114 | P114-N116 PolarHBondContact O-N 3.4Š| ||
| 117 | A | 33.3 | Very low | 40.2 | Very low | 78 Ų | 78 | 119.2 Ų | 119.2 | 65% | 0.645 | 67% | 0.67 | S | S | * | * | trans | -144.2 | 95.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | N115 | N115-A117 PolarHBondContact O-N 2.97Š| ||
| 118 | C | 30 | Very low | 38 | Very low | 112 Ų | 112 | 123 Ų | 123 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | trans | 62.7 | 117.5 | 153.2 | -75.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 119 | D | 30.5 | Very low | 36.1 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | 99.9 | 103.7 | 127.6 | -63.3 | -11.7 | 0 | 0 | 0 | 119.6 | |||||
| 120 | S | 32 | Very low | 34.3 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | 71.9 | 111.5 | 128.3 | 56.7 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 121 | D | 30.6 | Very low | 32.8 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | trans | 56.5 | 115.3 | 132 | -66.7 | -17 | 0 | 0 | 0 | 120.7 | ||||
| 122 | G | 29.9 | Very low | 31.4 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | 98.1 | 92.3 | 135.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 123 | N | 29.7 | Very low | 30.2 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | 179.3 | 131.9 | 106.6 | -100 | -24.7 | 0 | 0 | 0 | 111.6 | |||||
| 124 | E | 29.8 | Very low | 29.4 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -53.9 | 137.3 | 162.6 | -59.1 | 170.2 | 157.5 | 0 | 0 | 109.9 | ||||
| 125 | H | 29.5 | Very low | 28.5 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | -175.5 | 110.6 | 126.2 | -92.9 | 23.4 | 0 | 0 | 0 | 108.7 | |||||
| 126 | S | 25.1 | Very low | 27.7 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -73.3 | 119.5 | 172 | 50 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 127 | D | 27 | Very low | 27.4 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -129.5 | 111.5 | 158.4 | -88.3 | -37.7 | 0 | 0 | 0 | 108.8 | P129 | D127-P129 WeakPolarHBondContact O-CD 3.25Š| ||
| 128 | V | 23.8 | Very low | 26.9 | Very low | 125 Ų | 125 | 147 Ų | 147 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | -94.8 | 113.8 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 107.7 | K130 | V128-K130 PolarHBondContact O-N 2.95Š| ||
| 129 | P | 28.2 | Very low | 26.7 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -83.6 | 114.6 | 166.7 | -2.8 | 22 | 0 | 0 | 0 | 109 | D127 | D127-P129 WeakPolarHBondContact O-CD 3.25Š| ||
| 130 | K | 25 | Very low | 26.5 | Very low | 167 Ų | 167 | 148 Ų | 148 | 73% | 0.726 | 78% | 0.784 | S | S | * | * | trans | -74.4 | 147.1 | 173.5 | -75.3 | -178.5 | 174.8 | -176.1 | 0 | 112 | V128 | V128-K130 PolarHBondContact O-N 2.95Š| ||
| 131 | E | 25 | Very low | 26.2 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | 62.2 | 90.4 | 142.7 | -67 | 166.2 | -150.6 | 0 | 0 | 117.1 | ||||
| 132 | I | 26.3 | Very low | 26.1 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -85.9 | 109.9 | 157.1 | -63.7 | 173.1 | 0 | 0 | 0 | 107.2 | ||||
| 133 | E | 25.5 | Very low | 26.1 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -57.9 | 135.4 | 177.9 | -69.8 | 177.8 | 147.1 | 0 | 0 | 112.4 | F135 | E133-F135 PolarHBondContact O-N 2.71Š| ||
| 134 | N | 23.1 | Very low | 25.8 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | -62.7 | 99.5 | 175.6 | -68.7 | -42.5 | 0 | 0 | 0 | 110.9 | S136 | N134-S136 PolarHBondContact O-N 3.06Š| ||
| 135 | F | 22.4 | Very low | 25.6 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | trans | -70.9 | 110.3 | 165.2 | -83.5 | -83.6 | 0 | 0 | 0 | 109.6 | E133 Y137 | E133-F135 PolarHBondContact O-N 2.71Å; F135-Y137 PolarHBondContact O-N 3.24Å | ||
| 136 | S | 23.1 | Very low | 25.3 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | trans | -62.1 | 122 | 174.7 | 47.6 | 0 | 0 | 0 | 0 | 110.8 | N134 E138 | N134-S136 PolarHBondContact O-N 3.06Å; S136-E138 PolarHBondContact O-N 3.17Å; S136-E138 VanDerWaalsContact O-N 3.15Å | ||
| 137 | Y | 27 | Very low | 25.1 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | -78.2 | 91.1 | 175.6 | -79 | -92.8 | 0 | 0 | 0 | 110 | F135 | F135-Y137 PolarHBondContact O-N 3.24Š| ||
| 138 | E | 21.4 | Very low | 24.9 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | trans | -99.8 | 116.9 | 161.6 | -76.4 | -160 | 159.9 | 0 | 0 | 111 | S136 L140 | S136-E138 PolarHBondContact O-N 3.17Å; S136-E138 VanDerWaalsContact O-N 3.15Å; E138-L140 PolarHBondContact O-N 2.83Å | ||
| 139 | N | 26.2 | Very low | 24.7 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | 45.9 | 70.7 | 149.2 | -63.2 | -27.5 | 0 | 0 | 0 | 117.5 | N141 | N139-N141 PolarHBondContact O-N 3.28Š| ||
| 140 | L | 26.4 | Very low | 24.5 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | -83.1 | 109 | 157.3 | -110 | 94.1 | 0 | 0 | 0 | 110.5 | I14 E138 R142 | I14-L140 HydrophobicContact CD1-CD2 4.27Å; E138-L140 PolarHBondContact O-N 2.83Å; L140-R142 PolarHBondContact O-N 2.93Å | ||
| 141 | N | 26.4 | Very low | 24.4 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | trans | -36.3 | 119.5 | 176.9 | -69.4 | -32.9 | 0 | 0 | 0 | 114 | N139 | N139-N141 PolarHBondContact O-N 3.28Š| ||
| 142 | R | 28.2 | Very low | 24.3 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 35% | 0.347 | 71% | 0.71 | S | S | . | * | trans | -97.4 | 98.5 | 172.6 | -74.4 | 178.6 | 173.5 | -171.1 | -2.3 | 108.7 | L140 | L140-R142 PolarHBondContact O-N 2.93Š| ||
| 143 | N | 28.5 | Very low | 24.2 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 39% | 0.39 | 69% | 0.692 | S | S | . | * | trans | -84.2 | 125.5 | 175.2 | -69.5 | -18.6 | 0 | 0 | 0 | 110.7 | Y15 | Y15-N143 WeakPolarHBondContact CE1-ND2 3.29Š| ||
| 144 | V | 24.2 | Very low | 24.4 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 58% | 0.582 | 68% | 0.678 | S | S | * | * | trans | -94.1 | 124.8 | 167.6 | 176.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 145 | M | 24.6 | Very low | 24.9 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 66% | 0.66 | 65% | 0.649 | S | S | * | * | trans | -122.6 | 148.1 | -173.8 | -96.1 | -86.7 | 154.9 | 0 | 0 | 112.8 | ||||
| 146 | H | 23.6 | Very low | 25.8 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 56% | 0.56 | 62% | 0.618 | S | S | * | * | trans | -48.6 | 145.6 | -158.1 | -65.5 | -78.3 | 0 | 0 | 0 | 120.2 | T148 | H146-T148 PolarHBondContact O-N 3.48Š| ||
| 147 | E | 20.7 | Very low | 26.7 | Very low | 200 Ų | 200 | 113.5 Ų | 113.5 | 94% | 0.935 | 59% | 0.588 | S | S | * | * | trans | -61.9 | 118.2 | 157 | -75 | 178.1 | 147.4 | 0 | 0 | 109.7 | ||||
| 148 | T | 22.6 | Very low | 27 | Very low | 141 Ų | 141 | 107.9 Ų | 107.9 | 87% | 0.865 | 57% | 0.569 | S | S | * | * | trans | -128.3 | 139.5 | 160.6 | 42.4 | 0 | 0 | 0 | 0 | 110.5 | H146 | H146-T148 PolarHBondContact O-N 3.48Š| ||
| 149 | D | 21.2 | Very low | 27.7 | Very low | 125 Ų | 125 | 102 Ų | 102 | 67% | 0.668 | 55% | 0.553 | S | S | * | * | trans | -91.4 | 149.6 | -163.7 | -142.1 | -5.4 | 0 | 0 | 0 | 111.1 | ||||
| 150 | Y | 22.8 | Very low | 28.4 | Very low | 210 Ų | 210 | 95.9 Ų | 95.9 | 82% | 0.824 | 52% | 0.52 | S | S | * | . | trans | 69.9 | 108.5 | 170.8 | -52.5 | -77.7 | 0 | 0 | 0 | 120.5 | ||||
| 151 | G | 23 | Very low | 29.4 | Very low | 62 Ų | 62 | 92.2 Ų | 92.2 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | trans | 172.5 | 134.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S153 | G151-S153 PolarHBondContact O-N 3.07Š| ||
| 152 | L | 22.7 | Very low | 30.2 | Very low | 147 Ų | 147 | 89.6 Ų | 89.6 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | trans | -93.7 | 59.2 | -163.2 | -152.6 | 117.5 | 0 | 0 | 0 | 114 | ||||
| 153 | S | 24 | Very low | 31.2 | Very low | 69 Ų | 69 | 85.9 Ų | 85.9 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | trans | -172.9 | 120.6 | 171.3 | 40.7 | 0 | 0 | 0 | 0 | 115.8 | G151 P161 | G151-S153 PolarHBondContact O-N 3.07Å; S153-P161 CarbonylContact O-C 3.56Å; S153-P161 WeakPolarHBondContact O-CA 3.36Å; S153-P161 PolarHBondContact OG-O 3.46Å; S153-P161 VanDerWaalsContact OG-O 3.07Å | ||
| 154 | G | 30.2 | Very low | 32.1 | Very low | 44 Ų | 44 | 85.7 Ų | 85.7 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | trans | 73.2 | 80.9 | 132.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | D160 A163 | G154-D160 VanDerWaalsContact O-O 3.12Å; G154-A163 WeakPolarHBondContact O-CB 3.49Å | ||
| 155 | F | 32.8 | Very low | 33.4 | Very low | 58 Ų | 58 | 82.9 Ų | 82.9 | 25% | 0.254 | 46% | 0.463 | S | S | . | . | trans | -109.9 | 145 | 167.4 | -70.1 | -104.6 | 0 | 0 | 0 | 114.8 | K61 D160 | K61-F155 PolarHBondContact NZ-O 3.44Å; F155-D160 HydrophobicContact CD1-CB 4.2Å; F155-D160 WeakPolarHBondContact CD2-O 2.88Å; F155-D160 HydrophobicContact CE1-CB 4.36Å; F155-D160 WeakPolarHBondContact CE2-O 3.47Å | ||
| 156 | I | 42.9 | Very low | 34.8 | Very low | 29 Ų | 29 | 76.9 Ų | 76.9 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -133.6 | -19.2 | 141.1 | -76.6 | -172.3 | 0 | 0 | 0 | 111.1 | F46 K61 | F46-I156 HydrophobicContact CD1-CG2 3.94Å; F46-I156 HydrophobicContact CE1-CG2 4.28Å; K61-I156 HydrophobicContact CB-CD1 4.1Å; K61-I156 HydrophobicContact CD-CD1 4.03Å; K61-I156 HydrophobicContact CD-CG1 4.1Å; K61-I156 HydrophobicContact CG-CD1 4.33Å |
| 157 | I | 41.3 | Very low | 36.1 | Very low | 26 Ų | 26 | 72.2 Ų | 72.2 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -129.2 | 144 | -179.3 | -24.6 | 178.2 | 0 | 0 | 0 | 108.9 | W18 D160 | W18-I157 HydrophobicContact CG-CB 4.05Å; W18-I157 HydrophobicContact CG-CD1 4.48Å; W18-I157 HydrophobicContact CG-CG2 4.08Å; I157-D160 VanDerWaalsContact O-CB 3.24Å; I157-D160 WeakPolarHBondContact O-CB 3.43Å |
| 158 | E | 32.4 | Very low | 37.6 | Very low | 80 Ų | 80 | 69.3 Ų | 69.3 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -30.8 | 132.2 | -170.1 | -167.8 | 155.1 | -116.8 | 0 | 0 | 117.7 | K47 D160 | K47-E158 WeakPolarHBondContact CE-OE1 3.36Å; K47-E158 VanDerWaalsContact NZ-CG 3.31Å; K47-E158 IonicContact NZ-OE1 2.69Å; K47-E158 PolarHBondContact NZ-OE1 3.43Å; E158-D160 PolarHBondContact O-N 2.95Å |
| 159 | G | 36.7 | Very low | 39.2 | Very low | 42 Ų | 42 | 62.9 Ų | 62.9 | 43% | 0.433 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 23.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | P161 | G159-P161 WeakPolarHBondContact O-CD 3.36Š|
| 160 | D | 41.8 | Very low | 40.8 | Very low | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.011 | 33% | 0.327 | C | S | . | . | trans | -120.9 | 101.8 | -155.5 | -167.2 | -21.8 | 0 | 0 | 0 | 115 | N19 G154 F155 I157 E158 D162 A163 | N19-D160 PolarHBondContact ND2-OD1 3.24Å; N19-D160 PolarHBondContact OD1-OD1 3.47Å; N19-D160 PolarHBondContact OD1-OD2 3.22Å; N19-D160 VanDerWaalsContact OD1-OD2 3.12Å; G154-D160 VanDerWaalsContact O-O 3.12Å; F155-D160 HydrophobicContact CD1-CB 4.2Å; F155-D160 WeakPolarHBondContact CD2-O 2.88Å; F155-D160 HydrophobicContact CE1-CB 4.36Å; F155-D160 WeakPolarHBondContact CE2-O 3.47Å; I157-D160 VanDerWaalsContact O-CB 3.24Å; I157-D160 WeakPolarHBondContact O-CB 3.43Å; E158-D160 PolarHBondContact O-N 2.95Å; D160-D162 VanDerWaalsContact C-N 3.32Å; D160-D162 VanDerWaalsContact OD1-CA 3.28Å; D160-D162 WeakPolarHBondContact OD1-CA 3.39Å; D160-D162 PolarHBondContact OD1-N 2.64Å; D160-A163 HydrophobicContact CB-CB 4.39Å; D160-A163 VanDerWaalsContact CG-CB 3.47Å; D160-A163 VanDerWaalsContact OD1-CA 3.26Å; D160-A163 WeakPolarHBondContact OD1-CA 3.43Å; D160-A163 PolarHBondContact OD1-N 3.31Å; D160-A163 WeakPolarHBondContact OD2-CA 3.41Å; D160-A163 WeakPolarHBondContact OD2-CB 3.48Å; D160-A163 PolarHBondContact OD2-N 2.98Å | ||
| 161 | P | 46.2 | Very low | 42.2 | Very low | 64 Ų | 64 | 50.4 Ų | 50.4 | 42% | 0.416 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -77 | -6.9 | 165.4 | 27.8 | -33.5 | 0 | 0 | 0 | 115.5 | S153 G159 | S153-P161 CarbonylContact O-C 3.56Å; S153-P161 WeakPolarHBondContact O-CA 3.36Å; S153-P161 PolarHBondContact OG-O 3.46Å; S153-P161 VanDerWaalsContact OG-O 3.07Å; G159-P161 WeakPolarHBondContact O-CD 3.36Å |
| 162 | D | 44.2 | Very low | 43.8 | Very low | 67 Ų | 67 | 52.2 Ų | 52.2 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | trans | -137.2 | 33 | -168.1 | -78.1 | -26.3 | 0 | 0 | 0 | 113.9 | N19 R23 D160 E164 A165 | N19-D162 PolarHBondContact ND2-N 3.07Å; N19-D162 VanDerWaalsContact OD1-C 3.22Å; N19-D162 PolarHBondContact OD1-O 2.91Å; N19-D162 VanDerWaalsContact OD1-O 3.13Å; R23-D162 IonicContact NH2-OD2 2.88Å; R23-D162 PolarHBondContact NH2-OD2 2.68Å; D160-D162 VanDerWaalsContact C-N 3.32Å; D160-D162 VanDerWaalsContact OD1-CA 3.28Å; D160-D162 WeakPolarHBondContact OD1-CA 3.39Å; D160-D162 PolarHBondContact OD1-N 2.64Å; D162-E164 CarbonylContact O-C 3.58Å; D162-E164 PolarHBondContact O-N 3.22Å; D162-A165 HydrophobicContact CB-CB 4.32Å; D162-A165 WeakPolarHBondContact O-CA 3.15Å; D162-A165 WeakPolarHBondContact O-CB 3.47Å; D162-A165 PolarHBondContact O-N 3.06Å | ||
| 163 | A | 49 | Very low | 45 | Very low | 14 Ų | 14 | 47.7 Ų | 47.7 | 12% | 0.116 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -22.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G154 D160 T166 L167 | G154-A163 WeakPolarHBondContact O-CB 3.49Å; D160-A163 HydrophobicContact CB-CB 4.39Å; D160-A163 VanDerWaalsContact CG-CB 3.47Å; D160-A163 VanDerWaalsContact OD1-CA 3.26Å; D160-A163 WeakPolarHBondContact OD1-CA 3.43Å; D160-A163 PolarHBondContact OD1-N 3.31Å; D160-A163 WeakPolarHBondContact OD2-CA 3.41Å; D160-A163 WeakPolarHBondContact OD2-CB 3.48Å; D160-A163 PolarHBondContact OD2-N 2.98Å; A163-T166 PolarHBondContact O-N 3.13Å; A163-L167 WeakPolarHBondContact O-CB 3.48Å; A163-L167 WeakPolarHBondContact O-CG 3.4Å; A163-L167 PolarHBondContact O-N 2.77Å |
| 164 | E | 47.6 | Very low | 46 | Very low | 69 Ų | 69 | 47.7 Ų | 47.7 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -52.6 | -48.5 | 165.4 | -176.4 | 142 | -173.4 | 0 | 0 | 114.3 | R64 D162 L167 R168 | R64-E164 IonicContact CZ-OE1 3.42Å; R64-E164 IonicContact CZ-OE2 3.07Å; R64-E164 IonicContact NH1-OE2 2.88Å; R64-E164 PolarHBondContact NH1-OE2 3.07Å; R64-E164 IonicContact NH2-OE1 2.86Å; R64-E164 PolarHBondContact NH2-OE1 3.15Å; R64-E164 IonicContact NH2-OE2 3.48Å; R64-E164 PolarHBondContact NH2-OE2 3.46Å; D162-E164 CarbonylContact O-C 3.58Å; D162-E164 PolarHBondContact O-N 3.22Å; E164-L167 PolarHBondContact O-N 2.68Å; E164-R168 HydrophobicContact CG-CG 4.3Å; E164-R168 WeakPolarHBondContact O-CB 3.38Å; E164-R168 WeakPolarHBondContact O-CG 3.33Å; E164-R168 PolarHBondContact O-N 3.37Å; E164-R168 IonicContact OE1-CZ 2.78Å; E164-R168 VanDerWaalsContact OE1-CZ 3.24Å; E164-R168 IonicContact OE1-NE 2.71Å; E164-R168 PolarHBondContact OE1-NE 2.94Å; E164-R168 VanDerWaalsContact OE1-NE 3.17Å; E164-R168 IonicContact OE1-NH2 3.49Å; E164-R168 PolarHBondContact OE1-NH2 3.26Å |
| 165 | A | 52.1 | Low | 46.7 | Very low | 37 Ų | 37 | 51.9 Ų | 51.9 | 31% | 0.306 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D162 R168 L169 | D162-A165 HydrophobicContact CB-CB 4.32Å; D162-A165 WeakPolarHBondContact O-CA 3.15Å; D162-A165 WeakPolarHBondContact O-CB 3.47Å; D162-A165 PolarHBondContact O-N 3.06Å; A165-R168 PolarHBondContact O-N 3.15Å; A165-L169 VanDerWaalsContact O-CB 3.31Å; A165-L169 WeakPolarHBondContact O-CB 3.45Å; A165-L169 PolarHBondContact O-N 2.91Å |
| 166 | T | 52.9 | Low | 47 | Very low | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 176 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | W18 N19 S22 A163 L169 I170 | W18-T166 HydrophobicContact CB-CG2 4.48Å; W18-T166 PolarHBondContact O-OG1 3.47Å; N19-T166 WeakPolarHBondContact CA-OG1 3.31Å; N19-T166 PolarHBondContact OD1-OG1 2.88Å; S22-T166 VanDerWaalsContact CB-OG1 3.26Å; S22-T166 WeakPolarHBondContact CB-OG1 3.37Å; S22-T166 WeakPolarHBondContact OG-CA 3.44Å; A163-T166 PolarHBondContact O-N 3.13Å; T166-L169 PolarHBondContact O-N 3.25Å; T166-I170 HydrophobicContact CG2-CD1 4.4Å; T166-I170 WeakPolarHBondContact O-CG1 3.29Å; T166-I170 PolarHBondContact O-N 2.81Å; T166-I170 VanDerWaalsContact O-N 3.1Å |
| 167 | L | 50.9 | Low | 46.7 | Very low | 24 Ų | 24 | 56.6 Ų | 56.6 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 177.9 | -71.1 | 167.5 | 0 | 0 | 0 | 112.6 | R64 C68 A163 E164 L169 I170 F171 | R64-L167 HydrophobicContact CB-CD1 3.73Å; R64-L167 HydrophobicContact CG-CD1 3.92Å; C68-L167 HydrophobicContact CB-CD2 3.87Å; A163-L167 WeakPolarHBondContact O-CB 3.48Å; A163-L167 WeakPolarHBondContact O-CG 3.4Å; A163-L167 PolarHBondContact O-N 2.77Å; E164-L167 PolarHBondContact O-N 2.68Å; L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 3.13Å; L167-I170 HydrophobicContact CD2-CD1 4.47Å; L167-I170 PolarHBondContact O-N 3.11Å; L167-F171 HydrophobicContact CB-CE2 3.98Å; L167-F171 HydrophobicContact CB-CZ 4.47Å; L167-F171 WeakPolarHBondContact O-CD2 3.37Å; L167-F171 WeakPolarHBondContact O-CE2 3.46Å; L167-F171 VanDerWaalsContact O-CG 3.26Å; L167-F171 WeakPolarHBondContact O-CG 3.38Å; L167-F171 PolarHBondContact O-N 2.95Å |
| 168 | R | 52 | Low | 46.4 | Very low | 138 Ų | 138 | 60.4 Ų | 60.4 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 173.5 | -80.8 | -177.7 | -171.1 | -168.3 | 3 | 110.9 | E164 A165 F171 E172 | E164-R168 HydrophobicContact CG-CG 4.3Å; E164-R168 WeakPolarHBondContact O-CB 3.38Å; E164-R168 WeakPolarHBondContact O-CG 3.33Å; E164-R168 PolarHBondContact O-N 3.37Å; E164-R168 IonicContact OE1-CZ 2.78Å; E164-R168 VanDerWaalsContact OE1-CZ 3.24Å; E164-R168 IonicContact OE1-NE 2.71Å; E164-R168 PolarHBondContact OE1-NE 2.94Å; E164-R168 VanDerWaalsContact OE1-NE 3.17Å; E164-R168 IonicContact OE1-NH2 3.49Å; E164-R168 PolarHBondContact OE1-NH2 3.26Å; A165-R168 PolarHBondContact O-N 3.15Å; R168-F171 CarbonylContact O-C 3.5Å; R168-F171 PolarHBondContact O-N 3.45Å; R168-F171 VanDerWaalsContact O-N 3.15Å; R168-E172 WeakPolarHBondContact O-CB 3.39Å; R168-E172 WeakPolarHBondContact O-CG 3.35Å; R168-E172 PolarHBondContact O-N 3.37Å |
| 169 | L | 56.6 | Low | 46.5 | Very low | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175.3 | -172.9 | 75.1 | 0 | 0 | 0 | 111.2 | S22 A25 R26 A165 T166 L167 F171 E172 L173 | S22-L169 WeakPolarHBondContact O-CD2 3.24Å; S22-L169 VanDerWaalsContact OG-CD2 3.26Å; S22-L169 WeakPolarHBondContact OG-CD2 3.48Å; A25-L169 HydrophobicContact CB-CD2 4.18Å; R26-L169 HydrophobicContact CG-CD1 3.48Å; R26-L169 VanDerWaalsContact CG-CD1 3.48Å; R26-L169 HydrophobicContact CG-CD2 3.76Å; R26-L169 HydrophobicContact CG-CG 4.27Å; A165-L169 VanDerWaalsContact O-CB 3.31Å; A165-L169 WeakPolarHBondContact O-CB 3.45Å; A165-L169 PolarHBondContact O-N 2.91Å; T166-L169 PolarHBondContact O-N 3.25Å; L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 3.13Å; L169-F171 PolarHBondContact O-N 3.18Å; L169-E172 PolarHBondContact O-N 3.44Å; L169-L173 HydrophobicContact CD1-CD1 3.77Å; L169-L173 HydrophobicContact CD1-CG 4.23Å; L169-L173 HydrophobicContact CD2-CD1 4.17Å; L169-L173 HydrophobicContact CG-CD1 3.6Å; L169-L173 HydrophobicContact CG-CG 4.31Å; L169-L173 VanDerWaalsContact O-CB 3.3Å; L169-L173 WeakPolarHBondContact O-CB 3.27Å; L169-L173 WeakPolarHBondContact O-CD1 3.48Å; L169-L173 WeakPolarHBondContact O-CG 3.38Å; L169-L173 PolarHBondContact O-N 2.78Å |
| 170 | I | 55.5 | Low | 46.4 | Very low | 21 Ų | 21 | 68.4 Ų | 68.4 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.9 | -37.5 | 174.9 | -67.4 | 165.4 | 0 | 0 | 0 | 110.5 | F35 W41 A71 T166 L167 Q174 | F35-I170 HydrophobicContact CE1-CG1 4.3Å; W41-I170 HydrophobicContact CH2-CD1 4.2Å; A71-I170 HydrophobicContact CB-CG2 3.87Å; T166-I170 HydrophobicContact CG2-CD1 4.4Å; T166-I170 WeakPolarHBondContact O-CG1 3.29Å; T166-I170 PolarHBondContact O-N 2.81Å; T166-I170 VanDerWaalsContact O-N 3.1Å; L167-I170 HydrophobicContact CD2-CD1 4.47Å; L167-I170 PolarHBondContact O-N 3.11Å; I170-Q174 WeakPolarHBondContact O-CG 3.47Å; I170-Q174 PolarHBondContact O-N 2.97Å |
| 171 | F | 51.4 | Low | 45.9 | Very low | 52 Ų | 52 | 76.7 Ų | 76.7 | 23% | 0.228 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -78.2 | -46.6 | 178.2 | -59.3 | -40 | 0 | 0 | 0 | 114.5 | C67 L167 R168 L169 L173 Q174 E175 | C67-F171 HydrophobicContact CB-CD1 4.44Å; C67-F171 HydrophobicContact CB-CE1 3.26Å; C67-F171 HydrophobicContact CB-CZ 3.34Å; L167-F171 HydrophobicContact CB-CE2 3.98Å; L167-F171 HydrophobicContact CB-CZ 4.47Å; L167-F171 WeakPolarHBondContact O-CD2 3.37Å; L167-F171 WeakPolarHBondContact O-CE2 3.46Å; L167-F171 VanDerWaalsContact O-CG 3.26Å; L167-F171 WeakPolarHBondContact O-CG 3.38Å; L167-F171 PolarHBondContact O-N 2.95Å; R168-F171 CarbonylContact O-C 3.5Å; R168-F171 PolarHBondContact O-N 3.45Å; R168-F171 VanDerWaalsContact O-N 3.15Å; L169-F171 PolarHBondContact O-N 3.18Å; F171-L173 PolarHBondContact O-N 2.95Å; F171-L173 VanDerWaalsContact O-N 3.17Å; F171-Q174 WeakPolarHBondContact O-CA 3.01Å; F171-Q174 WeakPolarHBondContact O-CB 3.26Å; F171-Q174 PolarHBondContact O-N 3.1Å; F171-E175 PolarHBondContact O-N 3.34Å |
| 172 | E | 56.1 | Low | 45.1 | Very low | 100 Ų | 100 | 78.6 Ų | 78.6 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.9 | -30.4 | 176 | -80.9 | 177.8 | -171.9 | 0 | 0 | 111 | R168 L169 E175 P176 | R168-E172 WeakPolarHBondContact O-CB 3.39Å; R168-E172 WeakPolarHBondContact O-CG 3.35Å; R168-E172 PolarHBondContact O-N 3.37Å; L169-E172 PolarHBondContact O-N 3.44Å; E172-E175 PolarHBondContact O-N 3.05Å; E172-P176 WeakPolarHBondContact O-CD 3.24Å |
| 173 | L | 47.9 | Very low | 44.4 | Very low | 52 Ų | 52 | 79.6 Ų | 79.6 | 27% | 0.272 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.2 | 178.8 | -61.3 | 174.9 | 0 | 0 | 0 | 113.8 | Y32 L169 F171 | Y32-L173 HydrophobicContact CD2-CD1 3.72Å; Y32-L173 HydrophobicContact CE2-CB 4.32Å; Y32-L173 HydrophobicContact CE2-CD1 3.13Å; Y32-L173 HydrophobicContact CE2-CG 4.22Å; Y32-L173 WeakPolarHBondContact OH-CB 3.45Å; L169-L173 HydrophobicContact CD1-CD1 3.77Å; L169-L173 HydrophobicContact CD1-CG 4.23Å; L169-L173 HydrophobicContact CD2-CD1 4.17Å; L169-L173 HydrophobicContact CG-CD1 3.6Å; L169-L173 HydrophobicContact CG-CG 4.31Å; L169-L173 VanDerWaalsContact O-CB 3.3Å; L169-L173 WeakPolarHBondContact O-CB 3.27Å; L169-L173 WeakPolarHBondContact O-CD1 3.48Å; L169-L173 WeakPolarHBondContact O-CG 3.38Å; L169-L173 PolarHBondContact O-N 2.78Å; F171-L173 PolarHBondContact O-N 2.95Å; F171-L173 VanDerWaalsContact O-N 3.17Å |
| 174 | Q | 45.1 | Very low | 43.5 | Very low | 69 Ų | 69 | 86 Ų | 86 | 32% | 0.322 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -25.6 | 163.4 | -74 | 178.8 | -29.5 | 0 | 0 | 112 | I170 F171 E177 | I170-Q174 WeakPolarHBondContact O-CG 3.47Å; I170-Q174 PolarHBondContact O-N 2.97Å; F171-Q174 WeakPolarHBondContact O-CA 3.01Å; F171-Q174 WeakPolarHBondContact O-CB 3.26Å; F171-Q174 PolarHBondContact O-N 3.1Å; Q174-E177 PolarHBondContact O-N 2.85Å |
| 175 | E | 45.3 | Very low | 42.6 | Very low | 132 Ų | 132 | 91.1 Ų | 91.1 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -40.5 | -179.1 | -74.8 | -168.6 | 163.4 | 0 | 0 | 115.8 | F171 E172 E177 I178 Q179 | F171-E175 PolarHBondContact O-N 3.34Å; E172-E175 PolarHBondContact O-N 3.05Å; E175-E177 PolarHBondContact O-N 3.07Å; E175-I178 WeakPolarHBondContact O-CB 3.39Å; E175-I178 PolarHBondContact O-N 3.24Å; E175-Q179 PolarHBondContact O-N 2.77Å |
| 176 | P | 39.9 | Very low | 41.3 | Very low | 73 Ų | 73 | 94.5 Ų | 94.5 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.4 | -17.9 | -179.2 | 22.9 | -31.3 | 0 | 0 | 0 | 113.8 | E172 I178 | E172-P176 WeakPolarHBondContact O-CD 3.24Å; P176-I178 VanDerWaalsContact C-N 3.31Å |
| 177 | E | 36 | Very low | 40.1 | Very low | 112 Ų | 112 | 99.3 Ų | 99.3 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -79.9 | -14.1 | 171.7 | -72.2 | -178.9 | 163.2 | 0 | 0 | 112.8 | Q174 E175 F237 | Q174-E177 PolarHBondContact O-N 2.85Å; E175-E177 PolarHBondContact O-N 3.07Å; E177-F237 WeakPolarHBondContact OE2-CE1 3.39Å; E177-F237 WeakPolarHBondContact OE2-CZ 3.48Å |
| 178 | I | 34 | Very low | 39 | Very low | 107 Ų | 107 | 106.7 Ų | 106.7 | 55% | 0.549 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -88.4 | -27.9 | 178.4 | -59.7 | 170.5 | 0 | 0 | 0 | 111.3 | E175 P176 | E175-I178 WeakPolarHBondContact O-CB 3.39Å; E175-I178 PolarHBondContact O-N 3.24Å; P176-I178 VanDerWaalsContact C-N 3.31Å |
| 179 | Q | 35.5 | Very low | 37.7 | Very low | 153 Ų | 153 | 108.3 Ų | 108.3 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -79.9 | -24.6 | -177.2 | -92.2 | 177.7 | -4.9 | 0 | 0 | 114.6 | E175 F181 | E175-Q179 PolarHBondContact O-N 2.77Å; Q179-F181 PolarHBondContact O-N 3.4Å |
| 180 | D | 34.7 | Very low | 36.2 | Very low | 136 Ų | 136 | 113 Ų | 113 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -0 | -178.4 | -81.7 | -11.8 | 0 | 0 | 0 | 114.4 | ||
| 181 | F | 30.9 | Very low | 34.7 | Very low | 176 Ų | 176 | 120.6 Ų | 120.6 | 77% | 0.772 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 14.1 | 176.1 | -72.6 | -80.1 | 0 | 0 | 0 | 114.3 | Q179 S183 | Q179-F181 PolarHBondContact O-N 3.4Å; F181-S183 PolarHBondContact O-N 3.38Å |
| 182 | S | 29.1 | Very low | 33.6 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | trans | -79.3 | 5.8 | 178.9 | 93.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 183 | S | 30 | Very low | 32.1 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -106.8 | 118.8 | 165 | 58.8 | 0 | 0 | 0 | 0 | 108.4 | F181 | F181-S183 PolarHBondContact O-N 3.38Š|
| 184 | D | 30.8 | Very low | 31.4 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 84.3 | 97.5 | 179.4 | -48.1 | -25.7 | 0 | 0 | 0 | 112.5 | ||
| 185 | L | 28.4 | Very low | 30.6 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 93% | 0.932 | 72% | 0.723 | S | S | * | * | trans | 176.7 | 83.2 | 138.4 | -88.5 | 171.6 | 0 | 0 | 0 | 108.2 | ||||
| 186 | S | 25.2 | Very low | 29.7 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -87.8 | 140.7 | 159.7 | 49.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 187 | S | 26.7 | Very low | 29.2 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 70.5 | 130.8 | 177.5 | 76 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 188 | E | 27.1 | Very low | 28.8 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | cis | -146.9 | 146.7 | 28.7 | -71 | -177.2 | 143.9 | 0 | 0 | 111.9 | ||||
| 189 | N | 25 | Very low | 28.5 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | trans | -82.5 | 117.4 | 173.3 | -80.3 | -40.7 | 0 | 0 | 0 | 110.6 | ||||
| 190 | S | 25.8 | Very low | 28.2 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -164.7 | 58.7 | 157.3 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 191 | Q | 24.6 | Very low | 27.8 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -139 | 52.8 | 164.7 | -70.6 | -165.6 | -0.9 | 0 | 0 | 112.7 | ||||
| 192 | S | 26.5 | Very low | 27.6 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -110.8 | 36.9 | 174.1 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 193 | G | 26.4 | Very low | 27.5 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -99.9 | -20.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116 | F195 | G193-F195 PolarHBondContact O-N 3.5Š| ||
| 194 | L | 31.6 | Very low | 27.4 | Very low | 152 Ų | 152 | 146.4 Ų | 146.4 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 3.1 | -158.8 | -137.2 | 130.5 | 0 | 0 | 0 | 116.2 | ||
| 195 | F | 28.9 | Very low | 27.3 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 57% | 0.57 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 1.6 | -174.4 | -79.5 | -77.2 | 0 | 0 | 0 | 116 | G193 | G193-F195 PolarHBondContact O-N 3.5Š|
| 196 | N | 27.4 | Very low | 27.2 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -86.9 | -12.6 | -176.4 | -78.9 | -5.6 | 0 | 0 | 0 | 115.3 | L198 | N196-L198 PolarHBondContact O-N 3.19Å; N196-L198 VanDerWaalsContact O-N 3.07Å |
| 197 | D | 28.3 | Very low | 27.3 | Very low | 157 Ų | 157 | 151.3 Ų | 151.3 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -79 | 12 | -179.3 | -71.5 | -15.6 | 0 | 0 | 0 | 114.3 | ||
| 198 | L | 27.1 | Very low | 27.3 | Very low | 134 Ų | 134 | 151.4 Ų | 151.4 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -98.1 | -1.4 | -177.4 | -131.8 | 86 | 0 | 0 | 0 | 115.6 | N196 Q200 | N196-L198 PolarHBondContact O-N 3.19Å; N196-L198 VanDerWaalsContact O-N 3.07Å; L198-Q200 PolarHBondContact O-N 3.5Å |
| 199 | E | 28.1 | Very low | 27.3 | Very low | 182 Ų | 182 | 149.5 Ų | 149.5 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -8.4 | -178.4 | -72.5 | -146.5 | 150.9 | 0 | 0 | 115.3 | ||
| 200 | Q | 28.5 | Very low | 27.2 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 0.5 | -178.9 | -92.2 | -177.6 | -5.4 | 0 | 0 | 116.4 | L198 H202 | L198-Q200 PolarHBondContact O-N 3.5Å; Q200-H202 PolarHBondContact O-N 3.28Å |
| 201 | F | 26.5 | Very low | 27.2 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | -94.5 | 17.6 | -171.1 | -79.5 | -78.1 | 0 | 0 | 0 | 116.5 | S203 | F201-S203 PolarHBondContact O-N 2.83Š| ||
| 202 | H | 27.8 | Very low | 27.3 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | trans | -98.4 | 67.8 | -179.7 | -73.8 | -62.3 | 0 | 0 | 0 | 113.3 | Q200 | Q200-H202 PolarHBondContact O-N 3.28Š| ||
| 203 | S | 26.6 | Very low | 27.4 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -157.8 | 33.6 | 171.2 | -81.9 | 0 | 0 | 0 | 0 | 117.1 | F201 | F201-S203 PolarHBondContact O-N 2.83Š| ||
| 204 | H | 27.7 | Very low | 27.6 | Very low | 193 Ų | 193 | 150 Ų | 150 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | trans | -135.4 | 95.2 | 165.3 | -67.1 | -63.8 | 0 | 0 | 0 | 111.8 | ||||
| 205 | R | 28.8 | Very low | 27.5 | Very low | 248 Ų | 248 | 151 Ų | 151 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68 | 128.7 | 176.6 | -147.4 | 178.5 | -161.2 | 179 | 4.4 | 108.7 | S207 | R205-S207 PolarHBondContact O-N 2.64Š|
| 206 | M | 27.3 | Very low | 27.4 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 123.2 | 177.9 | -66.5 | 176.5 | 80.5 | 0 | 0 | 110.6 | ||
| 207 | S | 27 | Very low | 27.5 | Very low | 108 Ų | 108 | 160.2 Ų | 160.2 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 125.7 | 171.3 | 45 | 0 | 0 | 0 | 0 | 110.5 | R205 | R205-S207 PolarHBondContact O-N 2.64Š|
| 208 | S | 25.9 | Very low | 27.6 | Very low | 109 Ų | 109 | 159.9 Ų | 159.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 54.3 | 79.5 | 154.3 | 65.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 209 | I | 26.9 | Very low | 27.7 | Very low | 139 Ų | 139 | 158.6 Ų | 158.6 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -117 | 109 | 130.5 | -61.5 | 175.7 | 0 | 0 | 0 | 105.2 | Y211 | I209-Y211 HydrophobicContact CB-CE2 4.43Å; I209-Y211 HydrophobicContact CG2-CD2 4.03Å; I209-Y211 HydrophobicContact CG2-CE2 3.62Å; I209-Y211 PolarHBondContact O-N 2.71Å | ||
| 210 | S | 23.1 | Very low | 27.8 | Very low | 119 Ų | 119 | 155.4 Ų | 155.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -69.8 | 90.3 | -175 | 46.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 211 | Y | 25.4 | Very low | 27.9 | Very low | 193 Ų | 193 | 151 Ų | 151 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -86.5 | 144.1 | 159.3 | -74.9 | -83.7 | 0 | 0 | 0 | 109.6 | I209 | I209-Y211 HydrophobicContact CB-CE2 4.43Å; I209-Y211 HydrophobicContact CG2-CD2 4.03Å; I209-Y211 HydrophobicContact CG2-CE2 3.62Å; I209-Y211 PolarHBondContact O-N 2.71Å | ||
| 212 | P | 27.2 | Very low | 28 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | trans | -63 | 153.6 | -178.8 | 26.9 | -33.4 | 0 | 0 | 0 | 111.3 | S214 | P212-S214 PolarHBondContact O-N 3.25Š| ||
| 213 | P | 28.1 | Very low | 28.2 | Very low | 129 Ų | 129 | 152.2 Ų | 152.2 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -69.3 | 105.4 | -160.1 | 28.1 | -33.5 | 0 | 0 | 0 | 110.5 | ||||
| 214 | S | 30.9 | Very low | 28.6 | Very low | 112 Ų | 112 | 157.9 Ų | 157.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -85.9 | 126.1 | 171.7 | 15.7 | 0 | 0 | 0 | 0 | 109 | P212 | P212-S214 PolarHBondContact O-N 3.25Š| ||
| 215 | H | 29.6 | Very low | 29 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -47 | 143.2 | -177.3 | -91.4 | -102 | 0 | 0 | 0 | 114 | Y217 | H215-Y217 PolarHBondContact O-N 3.39Å; H215-Y217 VanDerWaalsContact O-N 3.07Å | ||
| 216 | R | 28.2 | Very low | 29.4 | Very low | 251 Ų | 251 | 147 Ų | 147 | 95% | 0.947 | 76% | 0.761 | S | S | * | * | trans | -51.8 | 108.1 | 176.8 | -70.1 | -179.6 | -176.6 | 177.7 | 0.7 | 110.9 | ||||
| 217 | Y | 29.5 | Very low | 30 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | -112.4 | 131.6 | 157 | -84.8 | -80.7 | 0 | 0 | 0 | 109.2 | H215 C219 | H215-Y217 PolarHBondContact O-N 3.39Å; H215-Y217 VanDerWaalsContact O-N 3.07Å; Y217-C219 PolarHBondContact O-N 2.97Å; Y217-C219 PolarHBondContact O-SG 2.88Å | ||
| 218 | D | 29.4 | Very low | 30.3 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 71% | 0.711 | S | S | * | * | trans | -52.2 | 115.8 | 179.3 | -80.9 | -42.9 | 0 | 0 | 0 | 111.8 | S220 | D218-S220 VanDerWaalsContact C-N 3.28Å; D218-S220 PolarHBondContact O-N 2.92Å | ||
| 219 | C | 29.4 | Very low | 30.8 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 72% | 0.723 | 70% | 0.701 | S | S | * | * | trans | -87.5 | 42 | -174.5 | -76.5 | 0 | 0 | 0 | 0 | 113.3 | Y217 | Y217-C219 PolarHBondContact O-N 2.97Å; Y217-C219 PolarHBondContact O-SG 2.88Å | ||
| 220 | S | 30.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -95.4 | -0.7 | 177.9 | 61 | 0 | 0 | 0 | 0 | 114.9 | D218 | D218-S220 VanDerWaalsContact C-N 3.28Å; D218-S220 PolarHBondContact O-N 2.92Å |
| 221 | S | 30.1 | Very low | 31.6 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -118.9 | 2 | -177.7 | 64.9 | 0 | 0 | 0 | 0 | 116.6 | K223 | S221-K223 VanDerWaalsContact C-N 3.25Å; S221-K223 PolarHBondContact O-N 3.32Å |
| 222 | F | 29.6 | Very low | 32.1 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 73% | 0.732 | 65% | 0.646 | S | S | * | * | trans | -83.5 | 64.3 | 173.1 | -68.9 | -75.4 | 0 | 0 | 0 | 112.1 | R224 | F222-R224 PolarHBondContact O-N 3.27Š| ||
| 223 | K | 31.6 | Very low | 32.5 | Very low | 201 Ų | 201 | 125.2 Ų | 125.2 | 87% | 0.874 | 65% | 0.649 | S | S | * | * | trans | -60.2 | 110.1 | 161.3 | -77.6 | -175.5 | 177.5 | 179.8 | 0 | 107.7 | S221 | S221-K223 VanDerWaalsContact C-N 3.25Å; S221-K223 PolarHBondContact O-N 3.32Å | ||
| 224 | R | 34.7 | Very low | 32.8 | Very low | 219 Ų | 219 | 124.7 Ų | 124.7 | 83% | 0.826 | 64% | 0.643 | S | S | * | * | trans | -57.8 | 138.6 | 176.9 | -128.3 | 178.3 | -176.1 | -154.5 | 1.7 | 109.1 | F222 K226 | F222-R224 PolarHBondContact O-N 3.27Å; R224-K226 PolarHBondContact O-N 2.96Å | ||
| 225 | S | 36.5 | Very low | 32.9 | Very low | 35 Ų | 35 | 123.3 Ų | 123.3 | 25% | 0.245 | 63% | 0.634 | C | S | . | * | trans | -48.1 | 127.1 | -174.5 | -57 | 0 | 0 | 0 | 0 | 112 | D59 S227 S228 | D59-S225 WeakPolarHBondContact OD2-CB 3.47Å; D59-S225 PolarHBondContact OD2-OG 3.48Å; S225-S227 PolarHBondContact O-N 3.34Å; S225-S228 PolarHBondContact O-OG 3.37Å | ||
| 226 | K | 37.4 | Very low | 33 | Very low | 177 Ų | 177 | 120 Ų | 120 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -58.5 | -8.2 | 175.6 | -71.3 | -175.9 | 173.5 | -175.2 | 0 | 114.3 | R224 S228 Q229 | R224-K226 PolarHBondContact O-N 2.96Å; K226-S228 PolarHBondContact O-N 2.96Å; K226-S228 VanDerWaalsContact O-N 3.11Å; K226-Q229 WeakPolarHBondContact O-CB 3.44Å; K226-Q229 PolarHBondContact O-N 3.06Å |
| 227 | S | 38.3 | Very low | 33.4 | Very low | 32 Ų | 32 | 115.3 Ų | 115.3 | 22% | 0.224 | 62% | 0.616 | C | S | . | * | G | 310 helix | trans | -62.2 | -13.2 | 177.8 | 66 | 0 | 0 | 0 | 0 | 114.6 | D59 R92 S225 | D59-S227 VanDerWaalsContact CG-OG 3.23Å; D59-S227 PolarHBondContact OD1-OG 2.99Å; R92-S227 PolarHBondContact NH2-OG 3.49Å; S225-S227 PolarHBondContact O-N 3.34Å |
| 228 | S | 34.8 | Very low | 33.7 | Very low | 52 Ų | 52 | 111.3 Ų | 111.3 | 36% | 0.364 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -85.6 | -8.2 | 174 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | K99 S225 K226 | K99-S228 PolarHBondContact NZ-O 3.4Å; S225-S228 PolarHBondContact O-OG 3.37Å; K226-S228 PolarHBondContact O-N 2.96Å; K226-S228 VanDerWaalsContact O-N 3.11Å |
| 229 | Q | 35.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 106.4 Ų | 106.4 | 56% | 0.556 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -87.8 | 125.8 | 174.2 | -68.3 | 175.9 | -18.4 | 0 | 0 | 108.2 | K226 | K226-Q229 WeakPolarHBondContact O-CB 3.44Å; K226-Q229 PolarHBondContact O-N 3.06Å |
| 230 | Y | 33.3 | Very low | 35 | Very low | 43 Ų | 43 | 110.9 Ų | 110.9 | 17% | 0.169 | 61% | 0.607 | C | S | . | * | P | Polyproline II helix | trans | -58.9 | 129.4 | 168.3 | -93 | -108.5 | 0 | 0 | 0 | 107.5 | S66 L96 K99 S232 | S66-Y230 WeakPolarHBondContact OG-CE1 3.34Å; L96-Y230 HydrophobicContact CD2-CE2 4.21Å; L96-Y230 PolarHBondContact O-OH 2.92Å; K99-Y230 HydrophobicContact CB-CE2 3.69Å; K99-Y230 HydrophobicContact CD-CD2 4.09Å; K99-Y230 HydrophobicContact CD-CE2 3.7Å; K99-Y230 HydrophobicContact CG-CE2 4.36Å; Y230-S232 PolarHBondContact O-N 3.38Å |
| 231 | P | 33.6 | Very low | 36.1 | Very low | 50 Ų | 50 | 109.3 Ų | 109.3 | 33% | 0.325 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 124.2 | 173.9 | 21.7 | -29.2 | 0 | 0 | 0 | 108.6 | Y63 K70 S233 | Y63-P231 HydrophobicContact CE2-CG 4.38Å; K70-P231 PolarHBondContact NZ-O 3.5Å; P231-S233 VanDerWaalsContact C-N 3.3Å; P231-S233 PolarHBondContact O-N 2.93Å |
| 232 | S | 36.8 | Very low | 37.5 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | trans | -86.7 | 14.8 | -171.5 | 35.2 | 0 | 0 | 0 | 0 | 114 | Y230 V234 | Y230-S232 PolarHBondContact O-N 3.38Å; S232-V234 PolarHBondContact O-N 3.47Å | ||
| 233 | S | 35 | Very low | 39.4 | Very low | 104 Ų | 104 | 105.1 Ų | 105.1 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | trans | -82.1 | 105.7 | 175 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | P231 | P231-S233 VanDerWaalsContact C-N 3.3Å; P231-S233 PolarHBondContact O-N 2.93Å | ||
| 234 | V | 34 | Very low | 41.7 | Very low | 118 Ų | 118 | 96 Ų | 96 | 72% | 0.715 | 52% | 0.522 | S | S | * | . | trans | -80.4 | 125.1 | 172.9 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | S232 | S232-V234 PolarHBondContact O-N 3.47Š| ||
| 235 | S | 32.5 | Very low | 44.2 | Very low | 83 Ų | 83 | 89 Ų | 89 | 58% | 0.58 | 50% | 0.501 | S | S | * | . | trans | -159 | 102.9 | 153.4 | 53.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 236 | S | 32.6 | Very low | 46.9 | Very low | 101 Ų | 101 | 87.5 Ų | 87.5 | 71% | 0.706 | 49% | 0.49 | S | S | * | . | trans | 38.4 | 92.6 | 150.5 | 59.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 237 | F | 35.2 | Very low | 49.6 | Very low | 153 Ų | 153 | 82.1 Ų | 82.1 | 67% | 0.671 | 47% | 0.468 | S | S | * | . | trans | -120.4 | 92.3 | 142 | -84 | -83.2 | 0 | 0 | 0 | 108.4 | E177 A239 | E177-F237 WeakPolarHBondContact OE2-CE1 3.39Å; E177-F237 WeakPolarHBondContact OE2-CZ 3.48Å; F237-A239 PolarHBondContact O-N 3.31Å | ||
| 238 | S | 36.6 | Very low | 52.4 | Low | 122 Ų | 122 | 80.7 Ų | 80.7 | 85% | 0.853 | 46% | 0.457 | S | S | * | . | trans | -79.7 | 87.6 | 164.7 | 56.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 239 | A | 44 | Very low | 55.3 | Low | 48 Ų | 48 | 78.2 Ų | 78.2 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | trans | -138.8 | 130.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | F237 H241 | F237-A239 PolarHBondContact O-N 3.31Å; A239-H241 PolarHBondContact O-CD2 2.96Å; A239-H241 PolarHBondContact O-N 3.04Å | ||
| 240 | F | 41.3 | Very low | 58.2 | Low | 202 Ų | 202 | 73.6 Ų | 73.6 | 89% | 0.886 | 42% | 0.418 | S | S | * | . | trans | -50.2 | 90.7 | -174.5 | -62.6 | -97 | 0 | 0 | 0 | 112.5 | ||||
| 241 | H | 54.6 | Low | 61.2 | Low | 82 Ų | 82 | 71.5 Ų | 71.5 | 38% | 0.38 | 41% | 0.41 | S | S | . | . | trans | -118.6 | 107.4 | 177.1 | -59.9 | -35.7 | 0 | 0 | 0 | 109.7 | W74 K111 A239 | W74-H241 HydrophobicContact CD2-CB 4Å; W74-H241 HydrophobicContact CE3-CB 3.75Å; W74-H241 HydrophobicContact CG-CB 4.41Å; W74-H241 HydrophobicContact CZ3-CB 4.15Å; K111-H241 PolarHBondContact NZ-O 3.39Å; K111-H241 VanDerWaalsContact NZ-O 3.09Å; A239-H241 PolarHBondContact O-CD2 2.96Å; A239-H241 PolarHBondContact O-N 3.04Å | ||
| 242 | H | 60.2 | Low | 64 | Low | 141 Ų | 141 | 69.8 Ų | 69.8 | 65% | 0.653 | 40% | 0.398 | S | S | * | . | trans | -57.8 | 157.1 | 159.9 | -66.9 | -66.6 | 0 | 0 | 0 | 109.6 | D108 | D108-H242 IonicContact OD1-ND1 3.6Š| ||
| 243 | P | 68.2 | Low | 66.7 | Low | 31 Ų | 31 | 65.6 Ų | 65.6 | 20% | 0.201 | 37% | 0.368 | C | S | . | . | trans | -55.3 | 147.7 | 178.5 | 20.6 | -30.6 | 0 | 0 | 0 | 110.7 | D108 I245 | D108-P243 HydrophobicContact CB-CG 3.98Å; D108-P243 VanDerWaalsContact OD1-CD 3.27Å; D108-P243 WeakPolarHBondContact OD1-CD 3.29Å; P243-I245 PolarHBondContact O-N 3.02Å | ||
| 244 | P | 81 | Confident | 69.2 | Low | 10 Ų | 10 | 62.6 Ų | 62.6 | 7% | 0.065 | 34% | 0.344 | C | S | . | . | trans | -62.8 | 108.5 | 179.2 | 26.6 | -33.7 | 0 | 0 | 0 | 109.8 | F100 L101 S104 V246 | F100-P244 HydrophobicContact CE1-CG 4Å; L101-P244 HydrophobicContact CD2-CB 4.47Å; L101-P244 HydrophobicContact CD2-CG 3.51Å; S104-P244 VanDerWaalsContact CB-CD 3.41Å; P244-V246 PolarHBondContact O-N 3.17Å | ||
| 245 | I | 86.6 | Confident | 71.6 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | trans | -65.9 | 109.1 | 167.3 | -48.2 | 179.7 | 0 | 0 | 0 | 108.5 | R77 P243 H247 E284 | R77-I245 WeakPolarHBondContact CD-O 3.36Å; R77-I245 PolarHBondContact NH1-O 2.97Å; P243-I245 PolarHBondContact O-N 3.02Å; I245-H247 WeakPolarHBondContact CG2-NE2 3.48Å; I245-E284 HydrophobicContact CG2-CB 3.37Å; I245-E284 HydrophobicContact CG2-CG 3.77Å | ||
| 246 | V | 92.9 | Very high | 73.9 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | trans | -98.9 | 117.3 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | R77 Y79 L101 P244 L282 E284 L285 | R77-V246 CarbonylContact O-C 3.57Å; Y79-V246 HydrophobicContact CD2-CG1 3.79Å; Y79-V246 HydrophobicContact CD2-CG2 4.08Å; Y79-V246 HydrophobicContact CE2-CG1 4.28Å; Y79-V246 HydrophobicContact CE2-CG2 3.69Å; L101-V246 HydrophobicContact CD2-CG2 4.32Å; P244-V246 PolarHBondContact O-N 3.17Å; V246-L282 HydrophobicContact CB-CD2 3.79Å; V246-L282 HydrophobicContact CG1-CD2 3.94Å; V246-L282 HydrophobicContact CG2-CD2 4.01Å; V246-E284 CarbonylContact O-C 3.59Å; V246-L285 HydrophobicContact CG1-CD1 4.46Å | ||
| 247 | H | 94.2 | Very high | 76 | Confident | 64 Ų | 64 | 56.6 Ų | 56.6 | 30% | 0.296 | 29% | 0.292 | S | S | . | . | trans | -92 | -21.7 | -179.3 | -56.3 | 146.3 | 0 | 0 | 0 | 113.4 | R77 I245 H286 R287 | R77-H247 PolarHBondContact O-N 2.88Å; I245-H247 WeakPolarHBondContact CG2-NE2 3.48Å; H247-H286 AromaticContact CD2-ND1 3.92Å; H247-H286 PolarHBondContact O-N 3.35Å; H247-R287 PolarHBondContact O-N 3.29Å | ||
| 248 | S | 96.1 | Very high | 77.7 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 131.7 | -175.3 | -158.2 | 0 | 0 | 0 | 0 | 111.7 | R77 N78 Y79 R287 | R77-S248 PolarHBondContact O-N 3.16Å; R77-S248 VanDerWaalsContact O-N 3.16Å; N78-S248 WeakPolarHBondContact CA-O 3.34Å; N78-S248 WeakPolarHBondContact OD1-CB 3.4Å; Y79-S248 PolarHBondContact N-O 2.96Å; S248-R287 WeakPolarHBondContact CA-O 3.49Å; S248-R287 PolarHBondContact OG-NE 3.42Å |
| 249 | F | 97.2 | Very high | 79.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 117.8 | 174.1 | -175.8 | -90.1 | 0 | 0 | 0 | 109.5 | Y79 F81 L94 L251 V278 L282 L285 R287 L288 R289 L290 | Y79-F249 HydrophobicContact CG-CD2 4.5Å; Y79-F249 WeakPolarHBondContact O-CA 3.5Å; F81-F249 HydrophobicContact CD2-CE2 4.17Å; F81-F249 HydrophobicContact CD2-CZ 4.18Å; F81-F249 HydrophobicContact CE2-CD2 4.42Å; F81-F249 AromaticContact CE2-CE2 3.58Å; F81-F249 HydrophobicContact CE2-CE2 3.58Å; F81-F249 AromaticContact CE2-CZ 3.96Å; F81-F249 HydrophobicContact CE2-CZ 3.96Å; L94-F249 HydrophobicContact CD2-CE2 4.35Å; L94-F249 HydrophobicContact CD2-CZ 3.94Å; F249-L251 HydrophobicContact CE1-CB 3.98Å; F249-V278 HydrophobicContact CD2-CG1 4.14Å; F249-V278 HydrophobicContact CE2-CG1 3.58Å; F249-V278 HydrophobicContact CZ-CG1 4.09Å; F249-L282 HydrophobicContact CB-CD1 3.83Å; F249-L282 HydrophobicContact CD2-CD1 4.08Å; F249-L282 HydrophobicContact CG-CD1 3.95Å; F249-L285 HydrophobicContact CB-CD1 3.86Å; F249-R287 PolarHBondContact N-O 3.07Å; F249-L288 HydrophobicContact CB-CD1 4.25Å; F249-L288 HydrophobicContact CD1-CD1 3.84Å; F249-L288 WeakPolarHBondContact O-CA 3.47Å; F249-R289 PolarHBondContact O-N 3.09Å; F249-L290 HydrophobicContact CD1-CD2 4.18Å; F249-L290 HydrophobicContact CE1-CD2 3.92Å |
| 250 | E | 96.9 | Very high | 80 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 125.6 | -179.2 | -57.1 | 177.4 | -151.9 | 0 | 0 | 109.8 | Y79 K80 F81 R289 | Y79-E250 PolarHBondContact O-N 3.5Å; K80-E250 CarbonylContact C-O 3.58Å; K80-E250 WeakPolarHBondContact CA-O 3.33Å; K80-E250 HydrophobicContact CB-CB 4.21Å; K80-E250 VanDerWaalsContact CD-OE2 3.29Å; K80-E250 WeakPolarHBondContact CD-OE2 3.17Å; K80-E250 WeakPolarHBondContact CE-OE2 3.36Å; K80-E250 HydrophobicContact CG-CB 4.04Å; K80-E250 IonicContact NZ-OE2 2.78Å; K80-E250 PolarHBondContact NZ-OE2 3.36Å; F81-E250 PolarHBondContact N-O 2.9Å; E250-R289 CarbonylContact C-O 3.59Å; E250-R289 WeakPolarHBondContact CA-O 3.31Å; E250-R289 HydrophobicContact CB-CB 4.07Å; E250-R289 HydrophobicContact CG-CB 3.94Å |
| 251 | L | 96.3 | Very high | 81 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 109.7 | 174.1 | 173.6 | 64 | 0 | 0 | 0 | 109.1 | F81 L90 F249 I275 R289 L290 V291 L293 | F81-L251 HydrophobicContact CB-CD1 3.57Å; F81-L251 HydrophobicContact CG-CD1 4.24Å; L90-L251 HydrophobicContact CD1-CD1 3.98Å; L90-L251 HydrophobicContact CD2-CD1 4.22Å; F249-L251 HydrophobicContact CE1-CB 3.98Å; L251-I275 HydrophobicContact CD2-CD1 3.57Å; L251-I275 HydrophobicContact CD2-CG1 3.93Å; L251-R289 PolarHBondContact N-O 3.43Å; L251-L290 HydrophobicContact CB-CD2 3.91Å; L251-L290 HydrophobicContact CD2-CD2 4.27Å; L251-V291 PolarHBondContact O-N 3.28Å; L251-L293 HydrophobicContact CD2-CD2 4.39Å |
| 252 | D | 92.5 | Very high | 81.5 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 103.6 | 169 | -60.7 | -40.3 | 0 | 0 | 0 | 107.9 | F81 K83 R289 | F81-D252 PolarHBondContact O-N 3.38Å; K83-D252 VanDerWaalsContact CA-O 3.27Å; K83-D252 WeakPolarHBondContact CA-O 3.48Å; K83-D252 HydrophobicContact CG-CB 3.62Å; K83-D252 PolarHBondContact N-O 3Å; D252-R289 IonicContact OD1-CZ 3.23Å; D252-R289 VanDerWaalsContact OD1-CZ 3.23Å; D252-R289 IonicContact OD1-NE 2.75Å; D252-R289 PolarHBondContact OD1-NE 3.16Å; D252-R289 IonicContact OD1-NH2 2.94Å; D252-R289 PolarHBondContact OD1-NH2 3.23Å; D252-R289 IonicContact OD2-CZ 3.9Å; D252-R289 IonicContact OD2-NE 3.92Å; D252-R289 IonicContact OD2-NH2 3.46Å; D252-R289 PolarHBondContact OD2-NH2 3.07Å |
| 253 | F | 91.9 | Very high | 82 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | trans | -78.2 | 149.5 | 179.5 | -172.5 | -101.4 | 0 | 0 | 0 | 110.8 | L87 L90 L271 V291 D292 L293 | L87-F253 HydrophobicContact CD1-CE2 4.49Å; L87-F253 HydrophobicContact CD1-CZ 4.08Å; L87-F253 HydrophobicContact CD2-CD2 4.43Å; L87-F253 HydrophobicContact CD2-CE2 3.58Å; L87-F253 HydrophobicContact CD2-CZ 3.84Å; L90-F253 HydrophobicContact CD2-CD2 4.21Å; L90-F253 HydrophobicContact CD2-CE2 4.45Å; F253-L271 HydrophobicContact CD2-CD2 4.09Å; F253-L271 HydrophobicContact CE2-CD2 3.37Å; F253-L271 HydrophobicContact CZ-CD2 4.25Å; F253-V291 VanDerWaalsContact CB-O 3.29Å; F253-V291 WeakPolarHBondContact CB-O 3.3Å; F253-V291 PolarHBondContact N-O 3.16Å; F253-D292 WeakPolarHBondContact CD1-O 3.15Å; F253-D292 WeakPolarHBondContact O-CB 2.98Å; F253-L293 HydrophobicContact CB-CD2 3.67Å; F253-L293 HydrophobicContact CG-CD2 4.09Å | ||
| 254 | N | 87.8 | Confident | 82.3 | Confident | 42 Ų | 42 | 45 Ų | 45 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | trans | -102.7 | 92.5 | 174.4 | -170.4 | 61 | 0 | 0 | 0 | 108.6 | K83 T84 D85 | K83-N254 HydrophobicContact CB-CB 4.27Å; T84-N254 VanDerWaalsContact O-CB 3.28Å; T84-N254 WeakPolarHBondContact O-CB 3.35Å; D85-N254 PolarHBondContact OD1-ND2 2.87Å | ||
| 255 | S | 85.1 | Confident | 82 | Confident | 12 Ų | 12 | 49 Ų | 49 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 133.6 | 177.1 | -90 | 0 | 0 | 0 | 0 | 111.2 | Y265 D292 F294 | S255-Y265 PolarHBondContact OG-O 2.92Å; S255-D292 PolarHBondContact OG-O 3.25Å; S255-F294 WeakPolarHBondContact OG-CD2 3.2Å |
| 256 | E | 79.8 | Confident | 81.6 | Confident | 116 Ų | 116 | 46.8 Ų | 46.8 | 54% | 0.542 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.4 | 176.6 | -68.7 | -177.8 | 179.4 | 0 | 0 | 109.6 | Y265 | E256-Y265 PolarHBondContact N-O 3.27Å; E256-Y265 PolarHBondContact O-N 2.9Å |
| 257 | V | 76.7 | Confident | 80.9 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.2 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | N259 V264 L433 F436 | V257-N259 WeakPolarHBondContact CG1-OD1 3.34Å; V257-V264 HydrophobicContact CG2-CG2 4.25Å; V257-L433 HydrophobicContact CG2-CD2 3.37Å; V257-F436 HydrophobicContact CG1-CE1 4.22Å; V257-F436 HydrophobicContact CG1-CE2 3.81Å; V257-F436 HydrophobicContact CG1-CZ 3.49Å; V257-F436 VanDerWaalsContact CG1-CZ 3.49Å; V257-F436 HydrophobicContact CG2-CE2 4.3Å |
| 258 | D | 71.2 | Confident | 80 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 95.1 | 167.9 | 173.1 | -6.1 | 0 | 0 | 0 | 108.5 | L260 R261 G262 L263 Y265 | D258-L260 PolarHBondContact O-N 2.88Å; D258-L260 WeakPolarHBondContact OD1-CB 3.42Å; D258-L260 PolarHBondContact OD1-N 3.44Å; D258-L260 VanDerWaalsContact OD1-N 3.1Å; D258-R261 CarbonylContact O-C 3.58Å; D258-R261 PolarHBondContact O-N 2.97Å; D258-R261 PolarHBondContact OD1-N 2.98Å; D258-R261 WeakPolarHBondContact OD2-CD 3.03Å; D258-R261 WeakPolarHBondContact OD2-CG 3.35Å; D258-G262 CarbonylContact O-C 3.54Å; D258-G262 WeakPolarHBondContact O-CA 3.41Å; D258-G262 PolarHBondContact O-N 2.96Å; D258-L263 PolarHBondContact N-O 3.03Å; D258-L263 PolarHBondContact O-N 3.21Å; D258-L263 VanDerWaalsContact O-N 3.09Å; D258-Y265 HydrophobicContact CB-CD2 4.37Å; D258-Y265 HydrophobicContact CB-CE2 3.55Å; D258-Y265 PolarHBondContact OD2-OH 3.05Å |
| 259 | N | 66.4 | Low | 79.3 | Confident | 93 Ų | 93 | 48 Ų | 48 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -28.3 | -178.6 | -71.8 | -21.3 | 0 | 0 | 0 | 113.1 | V257 G262 | V257-N259 WeakPolarHBondContact CG1-OD1 3.34Å; N259-G262 PolarHBondContact O-N 2.97Å |
| 260 | L | 62.5 | Low | 78.7 | Confident | 172 Ų | 172 | 50.4 Ų | 50.4 | 90% | 0.901 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -43.3 | -179.5 | -66 | 173 | 0 | 0 | 0 | 110.9 | D258 G262 | D258-L260 PolarHBondContact O-N 2.88Å; D258-L260 WeakPolarHBondContact OD1-CB 3.42Å; D258-L260 PolarHBondContact OD1-N 3.44Å; D258-L260 VanDerWaalsContact OD1-N 3.1Å; L260-G262 VanDerWaalsContact C-N 3.33Å |
| 261 | R | 63 | Low | 78.4 | Confident | 149 Ų | 149 | 50.1 Ų | 50.1 | 56% | 0.562 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -13.2 | 175.4 | -57.7 | -178.3 | 78.3 | -166.5 | 3.4 | 111.9 | D258 L263 Y265 R440 | D258-R261 CarbonylContact O-C 3.58Å; D258-R261 PolarHBondContact O-N 2.97Å; D258-R261 PolarHBondContact OD1-N 2.98Å; D258-R261 WeakPolarHBondContact OD2-CD 3.03Å; D258-R261 WeakPolarHBondContact OD2-CG 3.35Å; R261-L263 VanDerWaalsContact C-N 3.26Å; R261-L263 HydrophobicContact CB-CB 4.37Å; R261-L263 HydrophobicContact CB-CD1 3.83Å; R261-L263 HydrophobicContact CB-CG 3.91Å; R261-L263 PolarHBondContact O-N 3.48Å; R261-Y265 PolarHBondContact NH1-OH 3.12Å; R261-R440 PolarHBondContact O-NH1 3.06Å; R261-R440 PolarHBondContact O-NH2 2.81Å |
| 262 | G | 65.4 | Low | 78.2 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 47.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D258 N259 L260 R440 | D258-G262 CarbonylContact O-C 3.54Å; D258-G262 WeakPolarHBondContact O-CA 3.41Å; D258-G262 PolarHBondContact O-N 2.96Å; N259-G262 PolarHBondContact O-N 2.97Å; L260-G262 VanDerWaalsContact C-N 3.33Å; G262-R440 PolarHBondContact O-NH2 3.31Å |
| 263 | L | 70 | Confident | 78.2 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.335 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.7 | 176.1 | -67.6 | 173.2 | 0 | 0 | 0 | 108.6 | D258 R261 | D258-L263 PolarHBondContact N-O 3.03Å; D258-L263 PolarHBondContact O-N 3.21Å; D258-L263 VanDerWaalsContact O-N 3.09Å; R261-L263 VanDerWaalsContact C-N 3.26Å; R261-L263 HydrophobicContact CB-CB 4.37Å; R261-L263 HydrophobicContact CB-CD1 3.83Å; R261-L263 HydrophobicContact CB-CG 3.91Å; R261-L263 PolarHBondContact O-N 3.48Å |
| 264 | V | 74.2 | Confident | 78.3 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.5 | 168.1 | 68.3 | 0 | 0 | 0 | 0 | 109.3 | V257 F294 K325 F436 | V257-V264 HydrophobicContact CG2-CG2 4.25Å; V264-F294 HydrophobicContact CG1-CB 4.17Å; V264-F294 HydrophobicContact CG1-CD1 3.48Å; V264-F294 VanDerWaalsContact CG1-CD1 3.48Å; V264-F294 HydrophobicContact CG1-CD2 4.18Å; V264-F294 HydrophobicContact CG1-CE1 3.77Å; V264-F294 HydrophobicContact CG1-CE2 4.43Å; V264-F294 HydrophobicContact CG1-CG 3.69Å; V264-F294 HydrophobicContact CG1-CZ 4.24Å; V264-F294 HydrophobicContact CG2-CD2 3.78Å; V264-F294 HydrophobicContact CG2-CE2 3.91Å; V264-F294 HydrophobicContact CG2-CG 4.12Å; V264-F294 HydrophobicContact CG2-CZ 4.35Å; V264-K325 WeakPolarHBondContact O-CE 3.03Å; V264-K325 PolarHBondContact O-NZ 3.18Å; V264-F436 HydrophobicContact CB-CB 4.04Å; V264-F436 HydrophobicContact CB-CD2 4.29Å; V264-F436 HydrophobicContact CB-CG 4.06Å; V264-F436 HydrophobicContact CG1-CB 3.59Å; V264-F436 HydrophobicContact CG1-CG 4.17Å |
| 265 | Y | 75.8 | Confident | 78.7 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 107.2 | 173.8 | -58.2 | -76.2 | 0 | 0 | 0 | 108.5 | S255 E256 D258 R261 | S255-Y265 PolarHBondContact OG-O 2.92Å; E256-Y265 PolarHBondContact N-O 3.27Å; E256-Y265 PolarHBondContact O-N 2.9Å; D258-Y265 HydrophobicContact CB-CD2 4.37Å; D258-Y265 HydrophobicContact CB-CE2 3.55Å; D258-Y265 PolarHBondContact OD2-OH 3.05Å; R261-Y265 PolarHBondContact NH1-OH 3.12Å |
| 266 | G | 78 | Confident | 79.1 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 26% | 0.258 | 30% | 0.302 | S | S | . | . | trans | -81.2 | -171 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L293 | G266-L293 CarbonylContact C-O 3.48Å; G266-L293 WeakPolarHBondContact CA-O 3.1Å | ||
| 267 | T | 78.5 | Confident | 79.9 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | trans | -86.4 | 151.4 | 174.3 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | L271 L293 L295 | T267-L271 WeakPolarHBondContact OG1-CD2 3.39Å; T267-L271 WeakPolarHBondContact OG1-CG 3.47Å; T267-L293 HydrophobicContact CG2-CB 3.88Å; T267-L293 HydrophobicContact CG2-CD2 3.62Å; T267-L293 HydrophobicContact CG2-CG 4.2Å; T267-L293 PolarHBondContact N-O 3.36Å; T267-L295 HydrophobicContact CG2-CD2 3.78Å; T267-L295 WeakPolarHBondContact O-CD2 3.27Å | ||
| 268 | G | 73.6 | Confident | 80.7 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | trans | -162.9 | -175.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A270 L271 | G268-A270 PolarHBondContact O-N 2.89Å; G268-L271 PolarHBondContact O-N 3.48Å | ||
| 269 | G | 82.3 | Confident | 81.8 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 47% | 0.474 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | 55.1 | -119.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R273 | G269-R273 WeakPolarHBondContact O-CB 3.34Å; G269-R273 PolarHBondContact O-N 3.17Å |
| 270 | A | 84.5 | Confident | 83.1 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | G268 T274 | G268-A270 PolarHBondContact O-N 2.89Å; A270-T274 PolarHBondContact O-N 2.94Å; A270-T274 VanDerWaalsContact O-N 3.16Å; A270-T274 PolarHBondContact O-OG1 2.63Å |
| 271 | L | 90.1 | Very high | 84.5 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74 | -45.9 | -179.7 | 177.5 | 61.1 | 0 | 0 | 0 | 110.9 | L90 N91 L94 F253 T267 G268 R273 T274 I275 | L90-L271 HydrophobicContact CD2-CD2 4.28Å; L90-L271 HydrophobicContact CG-CD1 4.42Å; N91-L271 HydrophobicContact CB-CD1 3.79Å; L94-L271 HydrophobicContact CD1-CD1 3.8Å; F253-L271 HydrophobicContact CD2-CD2 4.09Å; F253-L271 HydrophobicContact CE2-CD2 3.37Å; F253-L271 HydrophobicContact CZ-CD2 4.25Å; T267-L271 WeakPolarHBondContact OG1-CD2 3.39Å; T267-L271 WeakPolarHBondContact OG1-CG 3.47Å; G268-L271 PolarHBondContact O-N 3.48Å; L271-R273 VanDerWaalsContact C-N 3.28Å; L271-R273 PolarHBondContact O-N 2.96Å; L271-T274 WeakPolarHBondContact O-CA 3.34Å; L271-T274 WeakPolarHBondContact O-CB 3.34Å; L271-T274 PolarHBondContact O-N 3.44Å; L271-I275 HydrophobicContact CD1-CD1 4.48Å; L271-I275 HydrophobicContact CG-CD1 4.15Å; L271-I275 WeakPolarHBondContact O-CG1 3.32Å; L271-I275 PolarHBondContact O-N 3.01Å |
| 272 | L | 93 | Very high | 85.9 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.8 | -45.6 | 173.1 | 179.1 | 60.6 | 0 | 0 | 0 | 111.3 | T274 I275 S276 L295 D299 L303 | L272-T274 VanDerWaalsContact C-N 3.28Å; L272-T274 PolarHBondContact O-N 2.92Å; L272-I275 WeakPolarHBondContact O-CB 3.47Å; L272-I275 PolarHBondContact O-N 3.04Å; L272-I275 VanDerWaalsContact O-N 3.09Å; L272-S276 PolarHBondContact O-N 3.38Å; L272-L295 HydrophobicContact CD1-CD1 4.17Å; L272-L295 HydrophobicContact CD1-CD2 4.06Å; L272-L295 HydrophobicContact CD2-CD2 4.16Å; L272-D299 HydrophobicContact CD2-CB 3.79Å; L272-L303 HydrophobicContact CD1-CD2 3.85Å |
| 273 | R | 93.1 | Very high | 86.9 | Confident | 158 Ų | 158 | 41.3 Ų | 41.3 | 60% | 0.596 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.7 | -38.3 | 175.5 | -168.9 | -178 | -61.7 | 109.7 | 0.9 | 112.7 | G269 L271 R277 | G269-R273 WeakPolarHBondContact O-CB 3.34Å; G269-R273 PolarHBondContact O-N 3.17Å; L271-R273 VanDerWaalsContact C-N 3.28Å; L271-R273 PolarHBondContact O-N 2.96Å; R273-R277 WeakPolarHBondContact O-CG 3.31Å; R273-R277 PolarHBondContact O-N 3.21Å |
| 274 | T | 94 | Very high | 87.8 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.9 | -40.7 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | N91 L94 N95 A270 L271 L272 R277 V278 | N91-T274 VanDerWaalsContact OD1-CB 3.28Å; N91-T274 WeakPolarHBondContact OD1-CB 3.04Å; N91-T274 PolarHBondContact OD1-OG1 3.48Å; L94-T274 HydrophobicContact CB-CG2 3.6Å; N95-T274 HydrophobicContact CB-CG2 4.13Å; N95-T274 VanDerWaalsContact CG-CG2 3.44Å; N95-T274 WeakPolarHBondContact ND2-CG2 3.39Å; N95-T274 PolarHBondContact ND2-OG1 2.96Å; A270-T274 PolarHBondContact O-N 2.94Å; A270-T274 VanDerWaalsContact O-N 3.16Å; A270-T274 PolarHBondContact O-OG1 2.63Å; L271-T274 WeakPolarHBondContact O-CA 3.34Å; L271-T274 WeakPolarHBondContact O-CB 3.34Å; L271-T274 PolarHBondContact O-N 3.44Å; L272-T274 VanDerWaalsContact C-N 3.28Å; L272-T274 PolarHBondContact O-N 2.92Å; T274-R277 WeakPolarHBondContact O-CB 3.18Å; T274-R277 PolarHBondContact O-N 2.98Å; T274-V278 WeakPolarHBondContact O-CG2 3.44Å; T274-V278 PolarHBondContact O-N 3.05Å |
| 275 | I | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -49.9 | 175.6 | -67 | 165.7 | 0 | 0 | 0 | 110 | L94 L251 L271 L272 R277 V278 I279 | L94-I275 HydrophobicContact CD1-CG1 4.02Å; L251-I275 HydrophobicContact CD2-CD1 3.57Å; L251-I275 HydrophobicContact CD2-CG1 3.93Å; L271-I275 HydrophobicContact CD1-CD1 4.48Å; L271-I275 HydrophobicContact CG-CD1 4.15Å; L271-I275 WeakPolarHBondContact O-CG1 3.32Å; L271-I275 PolarHBondContact O-N 3.01Å; L272-I275 WeakPolarHBondContact O-CB 3.47Å; L272-I275 PolarHBondContact O-N 3.04Å; L272-I275 VanDerWaalsContact O-N 3.09Å; I275-R277 VanDerWaalsContact C-N 3.29Å; I275-R277 PolarHBondContact O-N 3.11Å; I275-V278 PolarHBondContact O-N 3.41Å; I275-I279 HydrophobicContact CG2-CD1 3.66Å; I275-I279 HydrophobicContact CG2-CG1 4.42Å; I275-I279 WeakPolarHBondContact O-CG1 3.43Å; I275-I279 PolarHBondContact O-N 3.09Å |
| 276 | S | 94.9 | Very high | 89.8 | Confident | 12 Ų | 12 | 41 Ų | 41 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.2 | -44.5 | 172.7 | -77.9 | 0 | 0 | 0 | 0 | 112.5 | L272 V278 I279 R280 E306 | L272-S276 PolarHBondContact O-N 3.38Å; S276-V278 VanDerWaalsContact C-N 3.32Å; S276-V278 PolarHBondContact O-N 3.14Å; S276-I279 PolarHBondContact O-N 3.32Å; S276-R280 VanDerWaalsContact O-CG 3.27Å; S276-R280 WeakPolarHBondContact O-CG 3.47Å; S276-R280 PolarHBondContact O-N 2.9Å; S276-E306 WeakPolarHBondContact CB-OE2 3.36Å; S276-E306 PolarHBondContact OG-OE2 3.48Å |
| 277 | R | 94.7 | Very high | 90.7 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 176.8 | -78.2 | 179.3 | 66.6 | -160.6 | 5.4 | 113 | N95 A98 E102 R273 T274 I275 | N95-R277 PolarHBondContact OD1-NH1 2.92Å; N95-R277 VanDerWaalsContact OD1-NH1 3.13Å; A98-R277 HydrophobicContact CB-CB 4.19Å; E102-R277 IonicContact OE1-CZ 2.75Å; E102-R277 VanDerWaalsContact OE1-CZ 3.23Å; E102-R277 IonicContact OE1-NE 3.65Å; E102-R277 PolarHBondContact OE1-NE 3.16Å; E102-R277 IonicContact OE1-NH2 3.93Å; E102-R277 PolarHBondContact OE1-NH2 2.9Å; E102-R277 IonicContact OE2-CZ 3.75Å; E102-R277 IonicContact OE2-NH2 3.93Å; E102-R277 PolarHBondContact OE2-NH2 3.32Å; R273-R277 WeakPolarHBondContact O-CG 3.31Å; R273-R277 PolarHBondContact O-N 3.21Å; T274-R277 WeakPolarHBondContact O-CB 3.18Å; T274-R277 PolarHBondContact O-N 2.98Å; I275-R277 VanDerWaalsContact C-N 3.29Å; I275-R277 PolarHBondContact O-N 3.11Å |
| 278 | V | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -50.7 | 175.1 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | L94 V97 A98 L101 F249 T274 I275 S276 R280 Q281 L282 | L94-V278 HydrophobicContact CB-CG2 4.45Å; L94-V278 HydrophobicContact CD2-CG2 4.36Å; V97-V278 HydrophobicContact CG1-CG1 4.42Å; A98-V278 HydrophobicContact CB-CG2 3.75Å; L101-V278 HydrophobicContact CD1-CG1 4.19Å; F249-V278 HydrophobicContact CD2-CG1 4.14Å; F249-V278 HydrophobicContact CE2-CG1 3.58Å; F249-V278 HydrophobicContact CZ-CG1 4.09Å; T274-V278 WeakPolarHBondContact O-CG2 3.44Å; T274-V278 PolarHBondContact O-N 3.05Å; I275-V278 PolarHBondContact O-N 3.41Å; S276-V278 VanDerWaalsContact C-N 3.32Å; S276-V278 PolarHBondContact O-N 3.14Å; V278-R280 VanDerWaalsContact C-N 3.28Å; V278-R280 PolarHBondContact O-N 2.89Å; V278-Q281 PolarHBondContact O-N 3.25Å; V278-L282 HydrophobicContact CG1-CD1 4.38Å; V278-L282 WeakPolarHBondContact O-CG 3.14Å |
| 279 | I | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.6 | -41.2 | -176.8 | -71.9 | 165.9 | 0 | 0 | 0 | 111.8 | I275 S276 Q281 L282 L290 L303 I307 V310 | I275-I279 HydrophobicContact CG2-CD1 3.66Å; I275-I279 HydrophobicContact CG2-CG1 4.42Å; I275-I279 WeakPolarHBondContact O-CG1 3.43Å; I275-I279 PolarHBondContact O-N 3.09Å; S276-I279 PolarHBondContact O-N 3.32Å; I279-Q281 PolarHBondContact O-N 3.12Å; I279-L282 PolarHBondContact O-N 2.86Å; I279-L290 HydrophobicContact CD1-CD1 4.19Å; I279-L303 HydrophobicContact CD1-CD1 3.69Å; I279-I307 HydrophobicContact CD1-CD1 4.4Å; I279-I307 HydrophobicContact CD1-CG1 4Å; I279-I307 HydrophobicContact CG2-CB 4.49Å; I279-I307 HydrophobicContact CG2-CG1 3.84Å; I279-V310 WeakPolarHBondContact O-CG1 3.22Å |
| 280 | R | 92.9 | Very high | 93.5 | Very high | 132 Ų | 132 | 42.4 Ų | 42.4 | 50% | 0.498 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -10.7 | 177.3 | -73.1 | 173.5 | -168.9 | -174.9 | -0.8 | 115.1 | S276 V278 E306 | S276-R280 VanDerWaalsContact O-CG 3.27Å; S276-R280 WeakPolarHBondContact O-CG 3.47Å; S276-R280 PolarHBondContact O-N 2.9Å; V278-R280 VanDerWaalsContact C-N 3.28Å; V278-R280 PolarHBondContact O-N 2.89Å; R280-E306 IonicContact CZ-OE1 2.66Å; R280-E306 IonicContact CZ-OE2 2.68Å; R280-E306 IonicContact NE-OE1 3.84Å; R280-E306 IonicContact NE-OE2 3.31Å; R280-E306 PolarHBondContact NE-OE2 3.3Å; R280-E306 IonicContact NH2-OE1 3.4Å; R280-E306 PolarHBondContact NH2-OE1 3.11Å; R280-E306 IonicContact NH2-OE2 3.85Å |
| 281 | Q | 91.5 | Very high | 94 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 22% | 0.22 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 3 | 178 | -50 | -57.2 | -60.1 | 0 | 0 | 113.2 | L101 E102 V278 I279 | L101-Q281 HydrophobicContact CB-CB 3.67Å; L101-Q281 HydrophobicContact CB-CG 3.86Å; L101-Q281 HydrophobicContact CD1-CB 4.11Å; L101-Q281 HydrophobicContact CG-CB 4.49Å; E102-Q281 HydrophobicContact CG-CG 4.09Å; V278-Q281 PolarHBondContact O-N 3.25Å; I279-Q281 PolarHBondContact O-N 3.12Å |
| 282 | L | 91.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | -104.7 | 55.4 | -169.4 | -50.5 | -178.6 | 0 | 0 | 0 | 113.4 | L101 V246 F249 V278 I279 E284 L285 V310 | L101-L282 HydrophobicContact CD1-CD2 3.9Å; V246-L282 HydrophobicContact CB-CD2 3.79Å; V246-L282 HydrophobicContact CG1-CD2 3.94Å; V246-L282 HydrophobicContact CG2-CD2 4.01Å; F249-L282 HydrophobicContact CB-CD1 3.83Å; F249-L282 HydrophobicContact CD2-CD1 4.08Å; F249-L282 HydrophobicContact CG-CD1 3.95Å; V278-L282 HydrophobicContact CG1-CD1 4.38Å; V278-L282 WeakPolarHBondContact O-CG 3.14Å; I279-L282 PolarHBondContact O-N 2.86Å; L282-E284 PolarHBondContact O-N 3.49Å; L282-L285 HydrophobicContact CB-CB 4.09Å; L282-L285 HydrophobicContact CB-CD1 4.41Å; L282-L285 HydrophobicContact CB-CD2 4.35Å; L282-L285 HydrophobicContact CD1-CD1 4.17Å; L282-L285 HydrophobicContact CD1-CD2 4.07Å; L282-L285 VanDerWaalsContact O-CB 3.28Å; L282-L285 WeakPolarHBondContact O-CB 3.21Å; L282-L285 PolarHBondContact O-N 3.16Å; L282-V310 VanDerWaalsContact O-CG1 3.28Å; L282-V310 WeakPolarHBondContact O-CG1 3.43Å | ||
| 283 | N | 86.6 | Confident | 94.2 | Very high | 73 Ų | 73 | 39.1 Ų | 39.1 | 39% | 0.39 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.7 | -169.5 | -58.4 | -5.7 | 0 | 0 | 0 | 115.9 | C314 | N283-C314 PolarHBondContact O-SG 3.45Š|
| 284 | E | 89.7 | Confident | 94.1 | Very high | 83 Ų | 83 | 31.8 Ų | 31.8 | 39% | 0.388 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 34.2 | -176.7 | -68.3 | -69.1 | 166 | 0 | 0 | 111 | I245 V246 L282 H286 | I245-E284 HydrophobicContact CG2-CB 3.37Å; I245-E284 HydrophobicContact CG2-CG 3.77Å; V246-E284 CarbonylContact O-C 3.59Å; L282-E284 PolarHBondContact O-N 3.49Å; E284-H286 PolarHBondContact O-CE1 3.17Å; E284-H286 PolarHBondContact O-N 2.87Å; E284-H286 PolarHBondContact O-ND1 3.31Å |
| 285 | L | 95.2 | Very high | 94 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | trans | -76.1 | 109.6 | -176.2 | -169.5 | 69.3 | 0 | 0 | 0 | 111.2 | V246 F249 L282 R287 L288 A311 C314 L315 | V246-L285 HydrophobicContact CG1-CD1 4.46Å; F249-L285 HydrophobicContact CB-CD1 3.86Å; L282-L285 HydrophobicContact CB-CB 4.09Å; L282-L285 HydrophobicContact CB-CD1 4.41Å; L282-L285 HydrophobicContact CB-CD2 4.35Å; L282-L285 HydrophobicContact CD1-CD1 4.17Å; L282-L285 HydrophobicContact CD1-CD2 4.07Å; L282-L285 VanDerWaalsContact O-CB 3.28Å; L282-L285 WeakPolarHBondContact O-CB 3.21Å; L282-L285 PolarHBondContact O-N 3.16Å; L285-R287 WeakPolarHBondContact CD1-O 3.37Å; L285-L288 HydrophobicContact CD2-CB 3.85Å; L285-L288 HydrophobicContact CD2-CD1 3.91Å; L285-L288 HydrophobicContact CD2-CD2 4.41Å; L285-L288 HydrophobicContact CD2-CG 4.26Å; L285-A311 HydrophobicContact CB-CB 4.01Å; L285-C314 CarbonylContact O-C 3.57Å; L285-C314 PolarHBondContact O-SG 3.12Å; L285-C314 VanDerWaalsContact O-SG 3.37Å; L285-L315 HydrophobicContact CD2-CD1 4.43Å; L285-L315 HydrophobicContact CG-CD1 4.31Å; L285-L315 WeakPolarHBondContact O-CA 3.45Å; L285-L315 WeakPolarHBondContact O-CD1 3.22Å; L285-L315 PolarHBondContact O-N 2.87Å | ||
| 286 | H | 96.4 | Very high | 93.6 | Very high | 73 Ų | 73 | 35.6 Ų | 35.6 | 34% | 0.338 | 16% | 0.162 | S | C | . | . | trans | -88.5 | -29.5 | 178.9 | -68.5 | 64.7 | 0 | 0 | 0 | 112.5 | H247 E284 T316 D317 | H247-H286 AromaticContact CD2-ND1 3.92Å; H247-H286 PolarHBondContact O-N 3.35Å; E284-H286 PolarHBondContact O-CE1 3.17Å; E284-H286 PolarHBondContact O-N 2.87Å; E284-H286 PolarHBondContact O-ND1 3.31Å; H286-T316 PolarHBondContact O-N 3.28Å; H286-T316 PolarHBondContact O-OG1 2.98Å; H286-T316 VanDerWaalsContact O-OG1 3.11Å; H286-D317 PolarHBondContact O-N 2.87Å; H286-D317 VanDerWaalsContact O-N 3.14Å | ||
| 287 | R | 97.5 | Very high | 93.3 | Very high | 93 Ų | 93 | 35.5 Ų | 35.5 | 35% | 0.351 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 126.3 | -178.2 | -53.2 | -167.9 | -71.3 | -138.1 | -15.2 | 111.8 | H247 S248 F249 L285 D317 | H247-R287 PolarHBondContact O-N 3.29Å; S248-R287 WeakPolarHBondContact CA-O 3.49Å; S248-R287 PolarHBondContact OG-NE 3.42Å; F249-R287 PolarHBondContact N-O 3.07Å; L285-R287 WeakPolarHBondContact CD1-O 3.37Å; R287-D317 WeakPolarHBondContact CA-O 3.4Å; R287-D317 HydrophobicContact CB-CB 4.12Å; R287-D317 HydrophobicContact CG-CB 3.75Å |
| 288 | L | 98.1 | Very high | 93 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.5 | 176.8 | -180 | 63.5 | 0 | 0 | 0 | 110.4 | F249 L285 L290 I307 L315 D317 L318 N319 | F249-L288 HydrophobicContact CB-CD1 4.25Å; F249-L288 HydrophobicContact CD1-CD1 3.84Å; F249-L288 WeakPolarHBondContact O-CA 3.47Å; L285-L288 HydrophobicContact CD2-CB 3.85Å; L285-L288 HydrophobicContact CD2-CD1 3.91Å; L285-L288 HydrophobicContact CD2-CD2 4.41Å; L285-L288 HydrophobicContact CD2-CG 4.26Å; L288-L290 HydrophobicContact CD1-CD1 4.18Å; L288-L290 HydrophobicContact CD1-CD2 4.05Å; L288-L290 HydrophobicContact CD1-CG 3.82Å; L288-L290 HydrophobicContact CD2-CD1 4.12Å; L288-L290 HydrophobicContact CD2-CG 4.39Å; L288-L290 HydrophobicContact CG-CD1 4.34Å; L288-L290 HydrophobicContact CG-CG 4.06Å; L288-I307 HydrophobicContact CD2-CB 4.39Å; L288-I307 HydrophobicContact CD2-CD1 3.6Å; L288-I307 HydrophobicContact CD2-CG1 3.88Å; L288-I307 HydrophobicContact CD2-CG2 3.54Å; L288-L315 HydrophobicContact CB-CD1 3.74Å; L288-D317 PolarHBondContact N-O 3.2Å; L288-L318 HydrophobicContact CB-CD1 4.2Å; L288-L318 HydrophobicContact CD2-CD1 4.14Å; L288-L318 HydrophobicContact CG-CD1 4.36Å; L288-N319 PolarHBondContact O-N 2.78Å |
| 289 | R | 97.6 | Very high | 92.8 | Very high | 52 Ų | 52 | 41.4 Ų | 41.4 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 115.4 | 172.7 | 175.7 | 174.9 | 167.9 | 155.9 | 1.8 | 109.5 | F249 E250 L251 D252 V291 N319 L755 | F249-R289 PolarHBondContact O-N 3.09Å; E250-R289 CarbonylContact C-O 3.59Å; E250-R289 WeakPolarHBondContact CA-O 3.31Å; E250-R289 HydrophobicContact CB-CB 4.07Å; E250-R289 HydrophobicContact CG-CB 3.94Å; L251-R289 PolarHBondContact N-O 3.43Å; D252-R289 IonicContact OD1-CZ 3.23Å; D252-R289 VanDerWaalsContact OD1-CZ 3.23Å; D252-R289 IonicContact OD1-NE 2.75Å; D252-R289 PolarHBondContact OD1-NE 3.16Å; D252-R289 IonicContact OD1-NH2 2.94Å; D252-R289 PolarHBondContact OD1-NH2 3.23Å; D252-R289 IonicContact OD2-CZ 3.9Å; D252-R289 IonicContact OD2-NE 3.92Å; D252-R289 IonicContact OD2-NH2 3.46Å; D252-R289 PolarHBondContact OD2-NH2 3.07Å; R289-V291 HydrophobicContact CG-CG2 3.66Å; R289-N319 CarbonylContact C-O 3.57Å; R289-N319 WeakPolarHBondContact CA-O 3.38Å; R289-N319 HydrophobicContact CB-CB 4Å; R289-N319 HydrophobicContact CG-CB 3.99Å; R289-L755 PolarHBondContact NH1-O 2.88Å |
| 290 | L | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 96.6 | 175.8 | -62 | 179.6 | 0 | 0 | 0 | 108.3 | F249 L251 I279 L288 L293 L303 I307 N319 L320 F323 | F249-L290 HydrophobicContact CD1-CD2 4.18Å; F249-L290 HydrophobicContact CE1-CD2 3.92Å; L251-L290 HydrophobicContact CB-CD2 3.91Å; L251-L290 HydrophobicContact CD2-CD2 4.27Å; I279-L290 HydrophobicContact CD1-CD1 4.19Å; L288-L290 HydrophobicContact CD1-CD1 4.18Å; L288-L290 HydrophobicContact CD1-CD2 4.05Å; L288-L290 HydrophobicContact CD1-CG 3.82Å; L288-L290 HydrophobicContact CD2-CD1 4.12Å; L288-L290 HydrophobicContact CD2-CG 4.39Å; L288-L290 HydrophobicContact CG-CD1 4.34Å; L288-L290 HydrophobicContact CG-CG 4.06Å; L290-L293 HydrophobicContact CB-CD1 3.88Å; L290-L293 HydrophobicContact CB-CG 4.38Å; L290-L293 HydrophobicContact CD1-CD1 4.28Å; L290-L303 HydrophobicContact CD1-CD2 4.21Å; L290-I307 HydrophobicContact CD1-CD1 4.01Å; L290-N319 PolarHBondContact N-O 3.35Å; L290-L320 HydrophobicContact CB-CD2 4.01Å; L290-L320 HydrophobicContact CD1-CD2 4.44Å; L290-F323 HydrophobicContact CB-CD2 4.38Å; L290-F323 HydrophobicContact CD1-CE2 4.11Å |
| 291 | V | 94.6 | Very high | 92.8 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 144.9 | -170.8 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | L251 F253 R289 L293 N319 V321 | L251-V291 PolarHBondContact O-N 3.28Å; F253-V291 VanDerWaalsContact CB-O 3.29Å; F253-V291 WeakPolarHBondContact CB-O 3.3Å; F253-V291 PolarHBondContact N-O 3.16Å; R289-V291 HydrophobicContact CG-CG2 3.66Å; V291-L293 VanDerWaalsContact C-N 3.32Å; V291-L293 PolarHBondContact O-N 3.08Å; V291-N319 WeakPolarHBondContact CG2-OD1 3.22Å; V291-V321 WeakPolarHBondContact CA-O 3.39Å; V291-V321 HydrophobicContact CG1-CB 4.11Å; V291-V321 HydrophobicContact CG1-CG1 4.31Å; V291-V321 HydrophobicContact CG2-CB 4.26Å |
| 292 | D | 93.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 61.6 | 31.1 | 174.5 | -59.9 | -28.5 | 0 | 0 | 0 | 114.1 | K83 F253 S255 F294 V321 H322 L433 | K83-D292 WeakPolarHBondContact CE-OD2 3.28Å; K83-D292 IonicContact NZ-OD2 2.68Å; K83-D292 PolarHBondContact NZ-OD2 2.86Å; F253-D292 WeakPolarHBondContact CD1-O 3.15Å; F253-D292 WeakPolarHBondContact O-CB 2.98Å; S255-D292 PolarHBondContact OG-O 3.25Å; D292-F294 HydrophobicContact CB-CE2 4.43Å; D292-V321 PolarHBondContact N-O 3.2Å; D292-H322 IonicContact OD1-CE1 3.81Å; D292-H322 IonicContact OD1-CG 3.26Å; D292-H322 IonicContact OD1-ND1 2.94Å; D292-H322 PolarHBondContact OD1-ND1 3.15Å; D292-L433 HydrophobicContact CB-CD1 4.36Å |
| 293 | L | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -76.1 | -31.2 | 179.4 | -61.5 | -171.8 | 0 | 0 | 0 | 113.9 | L251 F253 G266 T267 L290 V291 L295 L303 H322 F323 | L251-L293 HydrophobicContact CD2-CD2 4.39Å; F253-L293 HydrophobicContact CB-CD2 3.67Å; F253-L293 HydrophobicContact CG-CD2 4.09Å; G266-L293 CarbonylContact C-O 3.48Å; G266-L293 WeakPolarHBondContact CA-O 3.1Å; T267-L293 HydrophobicContact CG2-CB 3.88Å; T267-L293 HydrophobicContact CG2-CD2 3.62Å; T267-L293 HydrophobicContact CG2-CG 4.2Å; T267-L293 PolarHBondContact N-O 3.36Å; L290-L293 HydrophobicContact CB-CD1 3.88Å; L290-L293 HydrophobicContact CB-CG 4.38Å; L290-L293 HydrophobicContact CD1-CD1 4.28Å; V291-L293 VanDerWaalsContact C-N 3.32Å; V291-L293 PolarHBondContact O-N 3.08Å; L293-L295 VanDerWaalsContact C-N 3.29Å; L293-L295 HydrophobicContact CB-CD1 4.48Å; L293-L295 HydrophobicContact CB-CD2 4.26Å; L293-L295 HydrophobicContact CB-CG 3.94Å; L293-L295 HydrophobicContact CD1-CD1 4.26Å; L293-L295 PolarHBondContact O-N 3.37Å; L293-L303 HydrophobicContact CD1-CD2 4.18Å; L293-H322 PolarHBondContact N-O 3.46Å; L293-H322 VanDerWaalsContact N-O 3.16Å; L293-F323 HydrophobicContact CD1-CD2 3.96Å; L293-F323 HydrophobicContact CD1-CE2 3.93Å | ||
| 294 | F | 91.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | trans | 44.4 | 49.3 | -179.5 | -72.9 | -81.4 | 0 | 0 | 0 | 114.2 | S255 V264 D292 H322 F323 K325 L433 F436 T437 | S255-F294 WeakPolarHBondContact OG-CD2 3.2Å; V264-F294 HydrophobicContact CG1-CB 4.17Å; V264-F294 HydrophobicContact CG1-CD1 3.48Å; V264-F294 VanDerWaalsContact CG1-CD1 3.48Å; V264-F294 HydrophobicContact CG1-CD2 4.18Å; V264-F294 HydrophobicContact CG1-CE1 3.77Å; V264-F294 HydrophobicContact CG1-CE2 4.43Å; V264-F294 HydrophobicContact CG1-CG 3.69Å; V264-F294 HydrophobicContact CG1-CZ 4.24Å; V264-F294 HydrophobicContact CG2-CD2 3.78Å; V264-F294 HydrophobicContact CG2-CE2 3.91Å; V264-F294 HydrophobicContact CG2-CG 4.12Å; V264-F294 HydrophobicContact CG2-CZ 4.35Å; D292-F294 HydrophobicContact CB-CE2 4.43Å; F294-H322 HydrophobicContact CD2-CB 4.12Å; F294-H322 HydrophobicContact CE1-CB 4.01Å; F294-H322 HydrophobicContact CE2-CB 3.53Å; F294-H322 AromaticContact CE2-CG 3.99Å; F294-H322 HydrophobicContact CZ-CB 3.47Å; F294-H322 VanDerWaalsContact CZ-CB 3.47Å; F294-H322 AromaticContact CZ-CG 3.64Å; F294-H322 PolarHBondContact N-O 2.6Å; F294-F323 PolarHBondContact N-O 3.2Å; F294-K325 HydrophobicContact CB-CD 4.48Å; F294-K325 HydrophobicContact CB-CG 4.03Å; F294-K325 HydrophobicContact CD1-CG 4.05Å; F294-K325 WeakPolarHBondContact O-CD 3.4Å; F294-K325 WeakPolarHBondContact O-CE 3.44Å; F294-L433 HydrophobicContact CE2-CB 4.02Å; F294-L433 HydrophobicContact CE2-CD1 4.03Å; F294-L433 HydrophobicContact CZ-CB 3.76Å; F294-F436 HydrophobicContact CE1-CB 4.06Å; F294-F436 HydrophobicContact CZ-CB 4.45Å; F294-T437 HydrophobicContact CE1-CG2 3.71Å; F294-T437 HydrophobicContact CZ-CG2 4.41Å | ||
| 295 | L | 91.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 154.9 | 178.2 | -59.6 | 179.6 | 0 | 0 | 0 | 111.8 | T267 L272 L293 D299 A300 L303 F323 H324 K325 | T267-L295 HydrophobicContact CG2-CD2 3.78Å; T267-L295 WeakPolarHBondContact O-CD2 3.27Å; L272-L295 HydrophobicContact CD1-CD1 4.17Å; L272-L295 HydrophobicContact CD1-CD2 4.06Å; L272-L295 HydrophobicContact CD2-CD2 4.16Å; L293-L295 VanDerWaalsContact C-N 3.29Å; L293-L295 HydrophobicContact CB-CD1 4.48Å; L293-L295 HydrophobicContact CB-CD2 4.26Å; L293-L295 HydrophobicContact CB-CG 3.94Å; L293-L295 HydrophobicContact CD1-CD1 4.26Å; L293-L295 PolarHBondContact O-N 3.37Å; L295-D299 HydrophobicContact CB-CB 4.37Å; L295-A300 HydrophobicContact CB-CB 3.89Å; L295-A300 HydrophobicContact CD1-CB 4.35Å; L295-L303 HydrophobicContact CD1-CB 4.42Å; L295-L303 HydrophobicContact CD1-CD2 3.71Å; L295-F323 WeakPolarHBondContact CB-O 3.31Å; L295-F323 HydrophobicContact CD1-CE1 4.32Å; L295-F323 HydrophobicContact CD1-CE2 4.11Å; L295-F323 HydrophobicContact CD1-CZ 3.95Å; L295-F323 WeakPolarHBondContact CG-O 3.26Å; L295-F323 PolarHBondContact N-O 2.99Å; L295-H324 CarbonylContact O-C 3.54Å; L295-H324 VanDerWaalsContact O-CA 3.28Å; L295-H324 WeakPolarHBondContact O-CA 3.46Å; L295-K325 PolarHBondContact O-N 3.02Å |
| 296 | V | 87.6 | Confident | 93.6 | Very high | 86 Ų | 86 | 34.3 Ų | 34.3 | 52% | 0.521 | 17% | 0.17 | S | C | . | . | trans | -71.1 | 151.9 | 165.6 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | D298 D299 A300 | V296-D298 VanDerWaalsContact C-N 3.28Å; V296-D298 PolarHBondContact O-N 2.74Å; V296-D298 VanDerWaalsContact O-N 3.16Å; V296-D299 PolarHBondContact O-N 3.31Å; V296-D299 VanDerWaalsContact O-N 3.13Å; V296-A300 WeakPolarHBondContact O-CB 3.16Å; V296-A300 PolarHBondContact O-N 2.98Å | ||
| 297 | S | 87 | Confident | 93.6 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -49.2 | -43.7 | -175.2 | -55.4 | 0 | 0 | 0 | 0 | 114 | A300 R301 S385 | S297-A300 PolarHBondContact O-N 3.45Å; S297-R301 WeakPolarHBondContact O-CB 3.29Å; S297-R301 PolarHBondContact O-N 3.27Å; S297-S385 PolarHBondContact OG-O 2.72Å |
| 298 | D | 88.4 | Confident | 93.5 | Very high | 128 Ų | 128 | 27.2 Ų | 27.2 | 68% | 0.684 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -64.7 | -47.9 | 179.9 | -63.7 | -28.7 | 0 | 0 | 0 | 112.5 | V296 A300 R301 Q302 | V296-D298 VanDerWaalsContact C-N 3.28Å; V296-D298 PolarHBondContact O-N 2.74Å; V296-D298 VanDerWaalsContact O-N 3.16Å; D298-A300 VanDerWaalsContact C-N 3.34Å; D298-A300 PolarHBondContact O-N 3.43Å; D298-R301 PolarHBondContact O-N 3.16Å; D298-Q302 WeakPolarHBondContact O-CB 3.28Å; D298-Q302 PolarHBondContact O-N 2.92Å |
| 299 | D | 91.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 33.5 Ų | 33.5 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 177.7 | -81.3 | -16.5 | 0 | 0 | 0 | 111.2 | L272 L295 V296 Q302 L303 | L272-D299 HydrophobicContact CD2-CB 3.79Å; L295-D299 HydrophobicContact CB-CB 4.37Å; V296-D299 PolarHBondContact O-N 3.31Å; V296-D299 VanDerWaalsContact O-N 3.13Å; D299-Q302 PolarHBondContact O-N 2.95Å; D299-L303 WeakPolarHBondContact O-CB 3.39Å; D299-L303 PolarHBondContact O-N 2.8Å |
| 300 | A | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L295 V296 S297 D298 L303 V304 F323 H324 P388 | L295-A300 HydrophobicContact CB-CB 3.89Å; L295-A300 HydrophobicContact CD1-CB 4.35Å; V296-A300 WeakPolarHBondContact O-CB 3.16Å; V296-A300 PolarHBondContact O-N 2.98Å; S297-A300 PolarHBondContact O-N 3.45Å; D298-A300 VanDerWaalsContact C-N 3.34Å; D298-A300 PolarHBondContact O-N 3.43Å; A300-L303 PolarHBondContact O-N 3.3Å; A300-V304 WeakPolarHBondContact O-CB 3.41Å; A300-V304 VanDerWaalsContact O-CG2 3.27Å; A300-V304 WeakPolarHBondContact O-CG2 3.34Å; A300-V304 PolarHBondContact O-N 3.05Å; A300-F323 HydrophobicContact CB-CD1 4.07Å; A300-F323 HydrophobicContact CB-CE1 3.69Å; A300-F323 WeakPolarHBondContact O-CE1 3.36Å; A300-H324 HydrophobicContact CB-CB 3.64Å; A300-P388 HydrophobicContact CB-CB 4.01Å; A300-P388 HydrophobicContact CB-CG 3.66Å |
| 301 | R | 93.5 | Very high | 92.8 | Very high | 35 Ų | 35 | 32 Ų | 32 | 13% | 0.132 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.2 | -49.3 | 178.4 | 177.1 | 52.1 | 175.8 | -173.8 | -0.4 | 111.2 | S297 D298 L303 V304 C305 I384 P388 D391 | S297-R301 WeakPolarHBondContact O-CB 3.29Å; S297-R301 PolarHBondContact O-N 3.27Å; D298-R301 PolarHBondContact O-N 3.16Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 3.5Å; R301-V304 PolarHBondContact O-N 3.48Å; R301-C305 PolarHBondContact NE-SG 3.02Å; R301-C305 PolarHBondContact O-N 2.96Å; R301-C305 PolarHBondContact O-SG 3.2Å; R301-I384 HydrophobicContact CB-CG2 4.38Å; R301-I384 VanDerWaalsContact CD-CG2 3.42Å; R301-I384 HydrophobicContact CG-CG2 3.67Å; R301-P388 HydrophobicContact CB-CB 4.01Å; R301-P388 PolarHBondContact NH1-O 3.41Å; R301-D391 IonicContact CZ-OD1 3.36Å; R301-D391 IonicContact CZ-OD2 3.5Å; R301-D391 VanDerWaalsContact NH1-CG 3.34Å; R301-D391 IonicContact NH1-OD1 3.94Å; R301-D391 PolarHBondContact NH1-OD1 3.18Å; R301-D391 IonicContact NH1-OD2 3.92Å; R301-D391 PolarHBondContact NH1-OD2 2.78Å; R301-D391 IonicContact NH2-OD1 3.23Å; R301-D391 IonicContact NH2-OD2 3.89Å; R301-D391 PolarHBondContact NH2-OD2 3.43Å |
| 302 | Q | 93.2 | Very high | 92.7 | Very high | 106 Ų | 106 | 33 Ų | 33 | 50% | 0.495 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.8 | -45.8 | 178.6 | -179.6 | 59.2 | 28.7 | 0 | 0 | 111 | D298 D299 V304 C305 E306 | D298-Q302 WeakPolarHBondContact O-CB 3.28Å; D298-Q302 PolarHBondContact O-N 2.92Å; D299-Q302 PolarHBondContact O-N 2.95Å; Q302-V304 PolarHBondContact O-N 2.92Å; Q302-C305 PolarHBondContact O-N 3.45Å; Q302-E306 PolarHBondContact NE2-OE1 2.9Å; Q302-E306 VanDerWaalsContact NE2-OE1 3.08Å; Q302-E306 WeakPolarHBondContact O-CG 3.19Å; Q302-E306 PolarHBondContact O-N 3.17Å |
| 303 | L | 95.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 179.3 | -176.6 | 60.3 | 0 | 0 | 0 | 112.4 | L272 I279 L290 L293 L295 D299 A300 R301 E306 I307 F323 | L272-L303 HydrophobicContact CD1-CD2 3.85Å; I279-L303 HydrophobicContact CD1-CD1 3.69Å; L290-L303 HydrophobicContact CD1-CD2 4.21Å; L293-L303 HydrophobicContact CD1-CD2 4.18Å; L295-L303 HydrophobicContact CD1-CB 4.42Å; L295-L303 HydrophobicContact CD1-CD2 3.71Å; D299-L303 WeakPolarHBondContact O-CB 3.39Å; D299-L303 PolarHBondContact O-N 2.8Å; A300-L303 PolarHBondContact O-N 3.3Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 3.5Å; L303-E306 PolarHBondContact O-N 2.84Å; L303-I307 HydrophobicContact CD1-CD1 4.47Å; L303-I307 HydrophobicContact CG-CD1 4.02Å; L303-I307 WeakPolarHBondContact O-CD1 3.35Å; L303-I307 WeakPolarHBondContact O-CG1 3.41Å; L303-I307 PolarHBondContact O-N 3.2Å; L303-F323 HydrophobicContact CB-CZ 4.12Å; L303-F323 HydrophobicContact CD2-CE2 3.66Å; L303-F323 HydrophobicContact CD2-CZ 3.71Å; L303-F323 HydrophobicContact CG-CE2 4.37Å; L303-F323 HydrophobicContact CG-CZ 4.04Å |
| 304 | V | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.1 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | A300 R301 Q302 I307 S308 F323 L389 L392 L395 F396 | A300-V304 WeakPolarHBondContact O-CB 3.41Å; A300-V304 VanDerWaalsContact O-CG2 3.27Å; A300-V304 WeakPolarHBondContact O-CG2 3.34Å; A300-V304 PolarHBondContact O-N 3.05Å; R301-V304 PolarHBondContact O-N 3.48Å; Q302-V304 PolarHBondContact O-N 2.92Å; V304-I307 PolarHBondContact O-N 3.22Å; V304-S308 PolarHBondContact O-N 2.93Å; V304-F323 HydrophobicContact CG2-CD1 4.43Å; V304-F323 HydrophobicContact CG2-CE1 3.43Å; V304-F323 VanDerWaalsContact CG2-CE1 3.43Å; V304-F323 HydrophobicContact CG2-CZ 3.67Å; V304-L389 HydrophobicContact CG2-CD2 3.7Å; V304-L392 HydrophobicContact CG1-CD2 4.19Å; V304-L395 HydrophobicContact CG1-CD1 3.38Å; V304-F396 HydrophobicContact CG1-CE2 4.18Å; V304-F396 HydrophobicContact CG1-CZ 4.49Å |
| 305 | C | 94.5 | Very high | 92.8 | Very high | 33 Ų | 33 | 38 Ų | 38 | 22% | 0.223 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 172.9 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | R301 Q302 I307 S308 D309 | R301-C305 PolarHBondContact NE-SG 3.02Å; R301-C305 PolarHBondContact O-N 2.96Å; R301-C305 PolarHBondContact O-SG 3.2Å; Q302-C305 PolarHBondContact O-N 3.45Å; C305-I307 VanDerWaalsContact C-N 3.29Å; C305-I307 PolarHBondContact O-N 2.89Å; C305-S308 WeakPolarHBondContact O-CA 3.49Å; C305-S308 WeakPolarHBondContact O-CB 3.22Å; C305-S308 PolarHBondContact O-N 3.38Å; C305-D309 VanDerWaalsContact O-CG 3.27Å; C305-D309 PolarHBondContact O-N 2.92Å |
| 306 | E | 94.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | 176.6 | -72.3 | -177.9 | -174.7 | 0 | 0 | 112.8 | S276 R280 Q302 L303 V310 | S276-E306 WeakPolarHBondContact CB-OE2 3.36Å; S276-E306 PolarHBondContact OG-OE2 3.48Å; R280-E306 IonicContact CZ-OE1 2.66Å; R280-E306 IonicContact CZ-OE2 2.68Å; R280-E306 IonicContact NE-OE1 3.84Å; R280-E306 IonicContact NE-OE2 3.31Å; R280-E306 PolarHBondContact NE-OE2 3.3Å; R280-E306 IonicContact NH2-OE1 3.4Å; R280-E306 PolarHBondContact NH2-OE1 3.11Å; R280-E306 IonicContact NH2-OE2 3.85Å; Q302-E306 PolarHBondContact NE2-OE1 2.9Å; Q302-E306 VanDerWaalsContact NE2-OE1 3.08Å; Q302-E306 WeakPolarHBondContact O-CG 3.19Å; Q302-E306 PolarHBondContact O-N 3.17Å; L303-E306 PolarHBondContact O-N 2.84Å; E306-V310 WeakPolarHBondContact O-CG2 3.4Å; E306-V310 PolarHBondContact O-N 2.7Å |
| 307 | I | 95.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 173.3 | -65.4 | 157.9 | 0 | 0 | 0 | 110.2 | I279 L288 L290 L303 V304 C305 V310 A311 L315 F396 | I279-I307 HydrophobicContact CD1-CD1 4.4Å; I279-I307 HydrophobicContact CD1-CG1 4Å; I279-I307 HydrophobicContact CG2-CB 4.49Å; I279-I307 HydrophobicContact CG2-CG1 3.84Å; L288-I307 HydrophobicContact CD2-CB 4.39Å; L288-I307 HydrophobicContact CD2-CD1 3.6Å; L288-I307 HydrophobicContact CD2-CG1 3.88Å; L288-I307 HydrophobicContact CD2-CG2 3.54Å; L290-I307 HydrophobicContact CD1-CD1 4.01Å; L303-I307 HydrophobicContact CD1-CD1 4.47Å; L303-I307 HydrophobicContact CG-CD1 4.02Å; L303-I307 WeakPolarHBondContact O-CD1 3.35Å; L303-I307 WeakPolarHBondContact O-CG1 3.41Å; L303-I307 PolarHBondContact O-N 3.2Å; V304-I307 PolarHBondContact O-N 3.22Å; C305-I307 VanDerWaalsContact C-N 3.29Å; C305-I307 PolarHBondContact O-N 2.89Å; I307-V310 PolarHBondContact O-N 3.36Å; I307-A311 WeakPolarHBondContact O-CB 3.45Å; I307-A311 PolarHBondContact O-N 2.94Å; I307-L315 HydrophobicContact CG2-CD2 4.42Å; I307-F396 HydrophobicContact CB-CE1 4.45Å; I307-F396 HydrophobicContact CB-CZ 4.15Å; I307-F396 HydrophobicContact CG2-CE1 3.75Å; I307-F396 HydrophobicContact CG2-CZ 3.76Å |
| 308 | S | 95.1 | Very high | 94.1 | Very high | 14 Ų | 14 | 37 Ų | 37 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 178 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | V304 C305 V310 A311 S312 L395 | V304-S308 PolarHBondContact O-N 2.93Å; C305-S308 WeakPolarHBondContact O-CA 3.49Å; C305-S308 WeakPolarHBondContact O-CB 3.22Å; C305-S308 PolarHBondContact O-N 3.38Å; S308-V310 PolarHBondContact O-N 2.93Å; S308-V310 VanDerWaalsContact O-N 3.08Å; S308-A311 PolarHBondContact O-N 2.66Å; S308-S312 WeakPolarHBondContact O-CA 3.39Å; S308-S312 WeakPolarHBondContact O-CB 3.49Å; S308-S312 PolarHBondContact O-N 3.36Å; S308-L395 PolarHBondContact OG-O 3.16Å |
| 309 | D | 93.7 | Very high | 94.5 | Very high | 136 Ų | 136 | 31.5 Ų | 31.5 | 73% | 0.727 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -55.4 | -32.6 | 178.8 | -68 | -20.7 | 0 | 0 | 0 | 112.6 | C305 | C305-D309 VanDerWaalsContact O-CG 3.27Å; C305-D309 PolarHBondContact O-N 2.92Å |
| 310 | V | 90.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 12% | 0.115 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -94.7 | -40.8 | -176.5 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | I279 L282 E306 I307 S308 | I279-V310 WeakPolarHBondContact O-CG1 3.22Å; L282-V310 VanDerWaalsContact O-CG1 3.28Å; L282-V310 WeakPolarHBondContact O-CG1 3.43Å; E306-V310 WeakPolarHBondContact O-CG2 3.4Å; E306-V310 PolarHBondContact O-N 2.7Å; I307-V310 PolarHBondContact O-N 3.36Å; S308-V310 PolarHBondContact O-N 2.93Å; S308-V310 VanDerWaalsContact O-N 3.08Å |
| 311 | A | 93.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -127.6 | 7.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L285 I307 S308 H313 C314 L315 | L285-A311 HydrophobicContact CB-CB 4.01Å; I307-A311 WeakPolarHBondContact O-CB 3.45Å; I307-A311 PolarHBondContact O-N 2.94Å; S308-A311 PolarHBondContact O-N 2.66Å; A311-H313 PolarHBondContact O-N 2.86Å; A311-H313 VanDerWaalsContact O-N 3.07Å; A311-C314 VanDerWaalsContact CA-SG 3.54Å; A311-C314 PolarHBondContact O-N 3.42Å; A311-C314 VanDerWaalsContact O-N 3.15Å; A311-C314 PolarHBondContact O-SG 3.17Å; A311-L315 HydrophobicContact CB-CB 4.31Å; A311-L315 VanDerWaalsContact O-CB 3.25Å; A311-L315 WeakPolarHBondContact O-CB 3.32Å; A311-L315 PolarHBondContact O-N 3.13Å |
| 312 | S | 92.9 | Very high | 95 | Very high | 31 Ų | 31 | 26.9 Ų | 26.9 | 22% | 0.217 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -40 | -177.3 | 176.1 | 0 | 0 | 0 | 0 | 113.8 | S308 L395 | S308-S312 WeakPolarHBondContact O-CA 3.39Å; S308-S312 WeakPolarHBondContact O-CB 3.49Å; S308-S312 PolarHBondContact O-N 3.36Å; S312-L395 VanDerWaalsContact CB-O 3.24Å; S312-L395 WeakPolarHBondContact CB-O 3.33Å; S312-L395 PolarHBondContact OG-O 2.68Å |
| 313 | H | 90.6 | Very high | 95 | Very high | 104 Ų | 104 | 21.8 Ų | 21.8 | 48% | 0.481 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 0.1 | -172.4 | 68.9 | -81.2 | 0 | 0 | 0 | 114.5 | A311 K398 | A311-H313 PolarHBondContact O-N 2.86Å; A311-H313 VanDerWaalsContact O-N 3.07Å; H313-K398 WeakPolarHBondContact O-CD 3.31Å; H313-K398 WeakPolarHBondContact O-CE 3.44Å; H313-K398 PolarHBondContact O-NZ 3.42Å |
| 314 | C | 93.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 5% | 0.054 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | -21.8 | -178.4 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | N283 L285 A311 T316 | N283-C314 PolarHBondContact O-SG 3.45Å; L285-C314 CarbonylContact O-C 3.57Å; L285-C314 PolarHBondContact O-SG 3.12Å; L285-C314 VanDerWaalsContact O-SG 3.37Å; A311-C314 VanDerWaalsContact CA-SG 3.54Å; A311-C314 PolarHBondContact O-N 3.42Å; A311-C314 VanDerWaalsContact O-N 3.15Å; A311-C314 PolarHBondContact O-SG 3.17Å; C314-T316 PolarHBondContact O-N 3.41Å |
| 315 | L | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -69.3 | 120.9 | -178.5 | -164.1 | 73.4 | 0 | 0 | 0 | 111.9 | L285 L288 I307 A311 L318 F396 K398 | L285-L315 HydrophobicContact CD2-CD1 4.43Å; L285-L315 HydrophobicContact CG-CD1 4.31Å; L285-L315 WeakPolarHBondContact O-CA 3.45Å; L285-L315 WeakPolarHBondContact O-CD1 3.22Å; L285-L315 PolarHBondContact O-N 2.87Å; L288-L315 HydrophobicContact CB-CD1 3.74Å; I307-L315 HydrophobicContact CG2-CD2 4.42Å; A311-L315 HydrophobicContact CB-CB 4.31Å; A311-L315 VanDerWaalsContact O-CB 3.25Å; A311-L315 WeakPolarHBondContact O-CB 3.32Å; A311-L315 PolarHBondContact O-N 3.13Å; L315-L318 HydrophobicContact CD2-CB 4.18Å; L315-L318 HydrophobicContact CD2-CD1 4.08Å; L315-L318 HydrophobicContact CD2-CD2 4.29Å; L315-L318 HydrophobicContact CD2-CG 4.4Å; L315-F396 HydrophobicContact CB-CD1 4.3Å; L315-F396 HydrophobicContact CD2-CD1 3.62Å; L315-F396 HydrophobicContact CD2-CE1 3.78Å; L315-F396 HydrophobicContact CD2-CG 4.17Å; L315-F396 HydrophobicContact CD2-CZ 4.44Å; L315-K398 CarbonylContact O-C 3.41Å | ||
| 316 | T | 97.5 | Very high | 93 | Very high | 39 Ų | 39 | 25.5 Ų | 25.5 | 24% | 0.239 | 14% | 0.138 | C | C | . | . | trans | -118 | -25.2 | -178.3 | 55 | 0 | 0 | 0 | 0 | 113 | H286 C314 I400 R401 | H286-T316 PolarHBondContact O-N 3.28Å; H286-T316 PolarHBondContact O-OG1 2.98Å; H286-T316 VanDerWaalsContact O-OG1 3.11Å; C314-T316 PolarHBondContact O-N 3.41Å; T316-I400 HydrophobicContact CG2-CD1 4.12Å; T316-I400 PolarHBondContact O-N 2.92Å; T316-R401 PolarHBondContact O-N 3.01Å | ||
| 317 | D | 97.7 | Very high | 91.3 | Very high | 34 Ų | 34 | 27.2 Ų | 27.2 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 115.6 | 179.2 | -164.9 | -18.4 | 0 | 0 | 0 | 109.5 | H286 R287 L288 R401 | H286-D317 PolarHBondContact O-N 2.87Å; H286-D317 VanDerWaalsContact O-N 3.14Å; R287-D317 WeakPolarHBondContact CA-O 3.4Å; R287-D317 HydrophobicContact CB-CB 4.12Å; R287-D317 HydrophobicContact CG-CB 3.75Å; L288-D317 PolarHBondContact N-O 3.2Å; D317-R401 WeakPolarHBondContact CA-O 3.36Å; D317-R401 HydrophobicContact CB-CB 4.29Å |
| 318 | L | 98.1 | Very high | 89 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121.3 | -177.7 | 179.2 | 55.2 | 0 | 0 | 0 | 110.3 | L288 L315 L320 L392 F396 I399 R401 L402 T403 | L288-L318 HydrophobicContact CB-CD1 4.2Å; L288-L318 HydrophobicContact CD2-CD1 4.14Å; L288-L318 HydrophobicContact CG-CD1 4.36Å; L315-L318 HydrophobicContact CD2-CB 4.18Å; L315-L318 HydrophobicContact CD2-CD1 4.08Å; L315-L318 HydrophobicContact CD2-CD2 4.29Å; L315-L318 HydrophobicContact CD2-CG 4.4Å; L318-L320 HydrophobicContact CD1-CD1 3.82Å; L318-L320 HydrophobicContact CD1-CD2 3.7Å; L318-L320 HydrophobicContact CD1-CG 3.5Å; L318-L320 HydrophobicContact CD2-CD1 3.86Å; L318-L320 HydrophobicContact CD2-CG 4.32Å; L318-L320 HydrophobicContact CG-CD1 3.93Å; L318-L320 HydrophobicContact CG-CG 3.82Å; L318-L392 HydrophobicContact CD2-CD1 4.22Å; L318-L392 HydrophobicContact CD2-CD2 4.03Å; L318-F396 HydrophobicContact CD2-CD2 4.02Å; L318-F396 HydrophobicContact CD2-CE2 4.09Å; L318-I399 HydrophobicContact CB-CD1 4.07Å; L318-I399 HydrophobicContact CD2-CD1 3.75Å; L318-R401 PolarHBondContact N-O 3.38Å; L318-L402 HydrophobicContact CB-CD1 4.21Å; L318-L402 HydrophobicContact CD2-CD1 4.32Å; L318-L402 HydrophobicContact CG-CD1 4.21Å; L318-L402 CarbonylContact O-C 3.49Å; L318-L402 WeakPolarHBondContact O-CA 3.48Å; L318-T403 PolarHBondContact O-N 3.32Å |
| 319 | N | 98 | Very high | 86.2 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 111.9 | 176.2 | -177.7 | -21 | 0 | 0 | 0 | 110.3 | L288 R289 L290 V291 V321 T403 | L288-N319 PolarHBondContact O-N 2.78Å; R289-N319 CarbonylContact C-O 3.57Å; R289-N319 WeakPolarHBondContact CA-O 3.38Å; R289-N319 HydrophobicContact CB-CB 4Å; R289-N319 HydrophobicContact CG-CB 3.99Å; L290-N319 PolarHBondContact N-O 3.35Å; V291-N319 WeakPolarHBondContact CG2-OD1 3.22Å; N319-V321 WeakPolarHBondContact OD1-CG2 3.33Å; N319-V321 PolarHBondContact OD1-N 2.99Å; N319-T403 WeakPolarHBondContact CA-O 3.49Å; N319-T403 HydrophobicContact CB-CG2 4.46Å |
| 320 | L | 97.5 | Very high | 83.3 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | trans | -129.2 | 37.6 | -175 | -62.4 | -178.7 | 0 | 0 | 0 | 111.5 | L290 L318 H322 F323 L389 T403 L404 Q408 | L290-L320 HydrophobicContact CB-CD2 4.01Å; L290-L320 HydrophobicContact CD1-CD2 4.44Å; L318-L320 HydrophobicContact CD1-CD1 3.82Å; L318-L320 HydrophobicContact CD1-CD2 3.7Å; L318-L320 HydrophobicContact CD1-CG 3.5Å; L318-L320 HydrophobicContact CD2-CD1 3.86Å; L318-L320 HydrophobicContact CD2-CG 4.32Å; L318-L320 HydrophobicContact CG-CD1 3.93Å; L318-L320 HydrophobicContact CG-CG 3.82Å; L320-H322 PolarHBondContact O-N 2.79Å; L320-F323 HydrophobicContact CB-CB 3.84Å; L320-F323 HydrophobicContact CB-CD2 4.36Å; L320-F323 HydrophobicContact CB-CG 4.17Å; L320-F323 HydrophobicContact CD2-CD2 3.69Å; L320-F323 HydrophobicContact CD2-CE2 3.93Å; L320-F323 HydrophobicContact CD2-CG 4.26Å; L320-F323 HydrophobicContact CG-CD2 4.45Å; L320-F323 WeakPolarHBondContact O-CB 3.31Å; L320-F323 PolarHBondContact O-N 3.47Å; L320-L389 HydrophobicContact CD1-CD2 3.83Å; L320-T403 PolarHBondContact N-O 2.98Å; L320-L404 HydrophobicContact CB-CD2 3.82Å; L320-Q408 PolarHBondContact O-NE2 2.89Å; L320-Q408 PolarHBondContact O-OE1 2.78Å; L320-Q408 VanDerWaalsContact O-OE1 3.13Å | ||
| 321 | V | 96 | Very high | 80.4 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 125.4 | 178.1 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | V291 D292 N319 F323 T403 I429 | V291-V321 WeakPolarHBondContact CA-O 3.39Å; V291-V321 HydrophobicContact CG1-CB 4.11Å; V291-V321 HydrophobicContact CG1-CG1 4.31Å; V291-V321 HydrophobicContact CG2-CB 4.26Å; D292-V321 PolarHBondContact N-O 3.2Å; N319-V321 WeakPolarHBondContact OD1-CG2 3.33Å; N319-V321 PolarHBondContact OD1-N 2.99Å; V321-F323 VanDerWaalsContact C-N 3.29Å; V321-F323 PolarHBondContact O-N 3.38Å; V321-T403 HydrophobicContact CG2-CG2 3.75Å; V321-I429 HydrophobicContact CG1-CB 4.29Å; V321-I429 HydrophobicContact CG2-CB 3.96Å; V321-I429 HydrophobicContact CG2-CD1 4.13Å; V321-I429 HydrophobicContact CG2-CG1 4.16Å |
| 322 | H | 93.5 | Very high | 77.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 39.5 | -177.3 | -51.6 | 133.1 | 0 | 0 | 0 | 114 | D292 L293 F294 L320 S405 T431 T434 | D292-H322 IonicContact OD1-CE1 3.81Å; D292-H322 IonicContact OD1-CG 3.26Å; D292-H322 IonicContact OD1-ND1 2.94Å; D292-H322 PolarHBondContact OD1-ND1 3.15Å; L293-H322 PolarHBondContact N-O 3.46Å; L293-H322 VanDerWaalsContact N-O 3.16Å; F294-H322 HydrophobicContact CD2-CB 4.12Å; F294-H322 HydrophobicContact CE1-CB 4.01Å; F294-H322 HydrophobicContact CE2-CB 3.53Å; F294-H322 AromaticContact CE2-CG 3.99Å; F294-H322 HydrophobicContact CZ-CB 3.47Å; F294-H322 VanDerWaalsContact CZ-CB 3.47Å; F294-H322 AromaticContact CZ-CG 3.64Å; F294-H322 PolarHBondContact N-O 2.6Å; L320-H322 PolarHBondContact O-N 2.79Å; H322-S405 PolarHBondContact NE2-OG 2.76Å; H322-T431 PolarHBondContact CE1-OG1 2.72Å; H322-T434 WeakPolarHBondContact NE2-CA 3.49Å; H322-T434 PolarHBondContact NE2-OG1 3.14Å |
| 323 | F | 94.5 | Very high | 74.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -71.2 | -39.2 | -177.6 | -178.8 | -102.7 | 0 | 0 | 0 | 113.7 | L290 L293 F294 L295 A300 L303 V304 L320 V321 L389 Q408 | L290-F323 HydrophobicContact CB-CD2 4.38Å; L290-F323 HydrophobicContact CD1-CE2 4.11Å; L293-F323 HydrophobicContact CD1-CD2 3.96Å; L293-F323 HydrophobicContact CD1-CE2 3.93Å; F294-F323 PolarHBondContact N-O 3.2Å; L295-F323 WeakPolarHBondContact CB-O 3.31Å; L295-F323 HydrophobicContact CD1-CE1 4.32Å; L295-F323 HydrophobicContact CD1-CE2 4.11Å; L295-F323 HydrophobicContact CD1-CZ 3.95Å; L295-F323 WeakPolarHBondContact CG-O 3.26Å; L295-F323 PolarHBondContact N-O 2.99Å; A300-F323 HydrophobicContact CB-CD1 4.07Å; A300-F323 HydrophobicContact CB-CE1 3.69Å; A300-F323 WeakPolarHBondContact O-CE1 3.36Å; L303-F323 HydrophobicContact CB-CZ 4.12Å; L303-F323 HydrophobicContact CD2-CE2 3.66Å; L303-F323 HydrophobicContact CD2-CZ 3.71Å; L303-F323 HydrophobicContact CG-CE2 4.37Å; L303-F323 HydrophobicContact CG-CZ 4.04Å; V304-F323 HydrophobicContact CG2-CD1 4.43Å; V304-F323 HydrophobicContact CG2-CE1 3.43Å; V304-F323 VanDerWaalsContact CG2-CE1 3.43Å; V304-F323 HydrophobicContact CG2-CZ 3.67Å; L320-F323 HydrophobicContact CB-CB 3.84Å; L320-F323 HydrophobicContact CB-CD2 4.36Å; L320-F323 HydrophobicContact CB-CG 4.17Å; L320-F323 HydrophobicContact CD2-CD2 3.69Å; L320-F323 HydrophobicContact CD2-CE2 3.93Å; L320-F323 HydrophobicContact CD2-CG 4.26Å; L320-F323 HydrophobicContact CG-CD2 4.45Å; L320-F323 WeakPolarHBondContact O-CB 3.31Å; L320-F323 PolarHBondContact O-N 3.47Å; V321-F323 VanDerWaalsContact C-N 3.29Å; V321-F323 PolarHBondContact O-N 3.38Å; F323-L389 HydrophobicContact CD1-CD2 3.98Å; F323-L389 HydrophobicContact CE1-CD2 4.19Å; F323-Q408 VanDerWaalsContact N-NE2 3.16Å | ||
| 324 | H | 90.7 | Very high | 71.6 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -131.9 | 159.8 | -178.4 | 76 | -88.2 | 0 | 0 | 0 | 112.2 | L295 A300 N387 P388 | L295-H324 CarbonylContact O-C 3.54Å; L295-H324 VanDerWaalsContact O-CA 3.28Å; L295-H324 WeakPolarHBondContact O-CA 3.46Å; A300-H324 HydrophobicContact CB-CB 3.64Å; H324-N387 PolarHBondContact CE1-OD1 2.76Å; H324-N387 VanDerWaalsContact CE1-OD1 3.3Å; H324-P388 HydrophobicContact CB-CG 3.9Å |
| 325 | K | 83.1 | Confident | 68.5 | Low | 63 Ų | 63 | 60.5 Ų | 60.5 | 27% | 0.274 | 33% | 0.332 | S | S | . | . | trans | -94.2 | 135.5 | 169.8 | -65.5 | 171.1 | 176.3 | -179.3 | 0 | 109.1 | V264 F294 L295 S327 | V264-K325 WeakPolarHBondContact O-CE 3.03Å; V264-K325 PolarHBondContact O-NZ 3.18Å; F294-K325 HydrophobicContact CB-CD 4.48Å; F294-K325 HydrophobicContact CB-CG 4.03Å; F294-K325 HydrophobicContact CD1-CG 4.05Å; F294-K325 WeakPolarHBondContact O-CD 3.4Å; F294-K325 WeakPolarHBondContact O-CE 3.44Å; L295-K325 PolarHBondContact O-N 3.02Å; K325-S327 PolarHBondContact O-N 2.96Å | ||
| 326 | S | 69.4 | Low | 65.2 | Low | 39 Ų | 39 | 72.8 Ų | 72.8 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | trans | -65 | 133.1 | 173 | 178.2 | 0 | 0 | 0 | 0 | 111 | V328 T437 | S326-V328 PolarHBondContact O-N 3.32Å; S326-T437 WeakPolarHBondContact CB-O 3.21Å; S326-T437 PolarHBondContact N-O 3.38Å | ||
| 327 | S | 57.8 | Low | 61.9 | Low | 50 Ų | 50 | 78.7 Ų | 78.7 | 35% | 0.35 | 40% | 0.404 | S | S | . | . | trans | -81.3 | 96.1 | -179.6 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | K325 S385 | K325-S327 PolarHBondContact O-N 2.96Å; S327-S385 PolarHBondContact OG-O 3.3Å | ||
| 328 | V | 49.3 | Very low | 58.5 | Low | 52 Ų | 52 | 87 Ų | 87 | 32% | 0.315 | 43% | 0.434 | S | S | . | . | trans | -118.7 | -3.2 | 162.2 | 176.7 | 0 | 0 | 0 | 0 | 113.3 | S326 A330 P439 | S326-V328 PolarHBondContact O-N 3.32Å; V328-A330 PolarHBondContact O-N 2.94Å; V328-P439 HydrophobicContact CB-CB 3.4Å; V328-P439 HydrophobicContact CB-CG 4.06Å; V328-P439 HydrophobicContact CG1-CB 4.01Å; V328-P439 HydrophobicContact CG2-CB 3.32Å; V328-P439 HydrophobicContact CG2-CG 3.36Å | ||
| 329 | N | 35.2 | Very low | 55.2 | Low | 142 Ų | 142 | 93.5 Ų | 93.5 | 76% | 0.759 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.7 | -174.8 | -76.1 | -8.8 | 0 | 0 | 0 | 116.3 | ||
| 330 | A | 33.1 | Very low | 52 | Low | 86 Ų | 86 | 97.1 Ų | 97.1 | 71% | 0.711 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -23.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V328 | V328-A330 PolarHBondContact O-N 2.94Š|
| 331 | I | 30.6 | Very low | 48.6 | Very low | 151 Ų | 151 | 100.9 Ų | 100.9 | 77% | 0.774 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -92.4 | -16.6 | -171.3 | -58.1 | 179.9 | 0 | 0 | 0 | 113.7 | ||
| 332 | T | 30.2 | Very low | 45.4 | Very low | 130 Ų | 130 | 110.5 Ų | 110.5 | 80% | 0.798 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -99.2 | 2.9 | -173.6 | 43.4 | 0 | 0 | 0 | 0 | 117.3 | ||
| 333 | S | 31.1 | Very low | 42.4 | Very low | 82 Ų | 82 | 114.8 Ų | 114.8 | 57% | 0.573 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -110.9 | -14.1 | -178.6 | 46.1 | 0 | 0 | 0 | 0 | 117.8 | ||
| 334 | Y | 29.9 | Very low | 39.1 | Very low | 208 Ų | 208 | 122.1 Ų | 122.1 | 82% | 0.816 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -138.6 | 7.1 | -176.8 | -84.6 | -77.2 | 0 | 0 | 0 | 118.9 | ||
| 335 | H | 28.6 | Very low | 36.1 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | -124.6 | 35.8 | 178.6 | -99.7 | -65 | 0 | 0 | 0 | 115.8 | E337 | H335-E337 PolarHBondContact O-N 2.82Å; H335-E337 VanDerWaalsContact O-N 3.15Å | ||
| 336 | R | 28.2 | Very low | 33.6 | Very low | 258 Ų | 258 | 130.9 Ų | 130.9 | 97% | 0.974 | 71% | 0.712 | S | S | * | * | trans | -82 | 56.6 | 153.6 | -86.6 | -165.1 | -173.9 | 176 | 3.9 | 110.6 | ||||
| 337 | E | 27.6 | Very low | 31.7 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -106.3 | 89 | 158 | -81.4 | -173.4 | 168.2 | 0 | 0 | 107.7 | H335 | H335-E337 PolarHBondContact O-N 2.82Å; H335-E337 VanDerWaalsContact O-N 3.15Å | ||
| 338 | Y | 26.5 | Very low | 30.4 | Very low | 210 Ų | 210 | 139.2 Ų | 139.2 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | 43.3 | 81.9 | 138.8 | -146.5 | -93 | 0 | 0 | 0 | 116.6 | P340 | Y338-P340 HydrophobicContact CE1-CB 4.24Š| ||
| 339 | V | 29 | Very low | 29.3 | Very low | 137 Ų | 137 | 145 Ų | 145 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | -86.6 | 115.9 | 156.3 | -177.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 340 | P | 30.1 | Very low | 29.2 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 58% | 0.584 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 145.8 | -175.2 | 29.8 | -32.6 | 0 | 0 | 0 | 111.4 | Y338 | Y338-P340 HydrophobicContact CE1-CB 4.24Š|
| 341 | G | 27 | Very low | 28.8 | Very low | 79 Ų | 79 | 151.5 Ų | 151.5 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 137.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 342 | F | 28.9 | Very low | 28.7 | Very low | 207 Ų | 207 | 148.2 Ų | 148.2 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 119.9 | 151.4 | -77.3 | -83.6 | 0 | 0 | 0 | 108.1 | ||
| 343 | A | 28.7 | Very low | 28.6 | Very low | 90 Ų | 90 | 148.7 Ų | 148.7 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 133.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V345 | A343-V345 PolarHBondContact O-N 2.84Š|
| 344 | N | 27.1 | Very low | 28.5 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -4.2 | 101.3 | 150.7 | -58 | -19.9 | 0 | 0 | 0 | 115.3 | ||||
| 345 | V | 27.1 | Very low | 28.4 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -92.7 | 102.8 | 150.6 | -178.7 | 0 | 0 | 0 | 0 | 105.8 | A343 | A343-V345 PolarHBondContact O-N 2.84Š| ||
| 346 | V | 29.9 | Very low | 28.5 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 130.1 | 174.3 | 176.3 | 0 | 0 | 0 | 0 | 107.8 | D348 | V346-D348 PolarHBondContact O-N 2.83Š|
| 347 | P | 30.4 | Very low | 28.5 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 120.9 | 178.8 | 26 | -21.6 | 0 | 0 | 0 | 109.2 | ||
| 348 | D | 29.1 | Very low | 28.6 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 122.4 | 174.6 | -143.9 | 1 | 0 | 0 | 0 | 108.6 | V346 H350 | V346-D348 PolarHBondContact O-N 2.83Å; D348-H350 PolarHBondContact O-N 2.96Å |
| 349 | E | 27.2 | Very low | 28.8 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -72 | 111.4 | 176.8 | -67.5 | 176.7 | 154.8 | 0 | 0 | 109 | ||||
| 350 | H | 32.3 | Very low | 28.8 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | -134.5 | 119.2 | 159 | -88 | -57.4 | 0 | 0 | 0 | 111.8 | D348 | D348-H350 PolarHBondContact O-N 2.96Š| ||
| 351 | E | 26.1 | Very low | 28.8 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -66.6 | 152 | -177.4 | -63.5 | 174.2 | 130.8 | 0 | 0 | 114.3 | ||||
| 352 | A | 27.6 | Very low | 29.3 | Very low | 82 Ų | 82 | 139 Ų | 139 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | 74.9 | 124.7 | 134.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 353 | D | 27.4 | Very low | 29.7 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | 67.1 | 104.8 | 142.7 | -64 | -16.6 | 0 | 0 | 0 | 118.6 | ||||
| 354 | N | 29.8 | Very low | 30.1 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | -156.6 | 107.4 | 126.4 | -91.2 | -40.2 | 0 | 0 | 0 | 111.7 | V356 | N354-V356 PolarHBondContact O-N 2.94Å; N354-V356 VanDerWaalsContact O-N 3.17Å | |||
| 355 | N | 28.2 | Very low | 31.2 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 90% | 0.904 | 75% | 0.75 | S | S | * | * | trans | -61.1 | 105.9 | 160.2 | -76.1 | -40.2 | 0 | 0 | 0 | 109.3 | ||||
| 356 | V | 29.9 | Very low | 32.9 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | trans | -127.4 | 104.2 | 160 | -177.3 | 0 | 0 | 0 | 0 | 108 | N354 N358 | N354-V356 PolarHBondContact O-N 2.94Å; N354-V356 VanDerWaalsContact O-N 3.17Å; V356-N358 VanDerWaalsContact C-N 3.34Å; V356-N358 PolarHBondContact O-N 3.1Å | ||
| 357 | S | 27.9 | Very low | 34.7 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -58.8 | 87.3 | 169.1 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | N359 | S357-N359 PolarHBondContact O-N 3.43Š| ||
| 358 | N | 30.7 | Very low | 37.2 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | trans | -89.6 | 90.9 | 169.1 | -92 | -9 | 0 | 0 | 0 | 109.8 | V356 N360 | V356-N358 VanDerWaalsContact C-N 3.34Å; V356-N358 PolarHBondContact O-N 3.1Å; N358-N360 VanDerWaalsContact C-N 3.25Å; N358-N360 PolarHBondContact O-N 2.85Å | ||
| 359 | N | 29.7 | Very low | 39.7 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 89% | 0.893 | 68% | 0.683 | S | S | * | * | trans | -70.1 | 80.2 | 164.3 | -132.5 | 10 | 0 | 0 | 0 | 108.2 | S357 | S357-N359 PolarHBondContact O-N 3.43Š| ||
| 360 | N | 30.6 | Very low | 42.6 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | trans | -117.9 | 123.3 | 170.9 | -80.2 | -15.8 | 0 | 0 | 0 | 108.2 | N358 Y362 | N358-N360 VanDerWaalsContact C-N 3.25Å; N358-N360 PolarHBondContact O-N 2.85Å; N360-Y362 WeakPolarHBondContact O-CD2 3.45Å; N360-Y362 WeakPolarHBondContact O-CE2 3.44Å; N360-Y362 PolarHBondContact O-N 3.19Å | ||
| 361 | G | 29.3 | Very low | 45.4 | Very low | 83 Ų | 83 | 111.4 Ų | 111.4 | 86% | 0.856 | 61% | 0.609 | S | S | * | * | trans | -62.4 | 97.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q363 | G361-Q363 PolarHBondContact O-N 3.32Š| ||
| 362 | Y | 37.4 | Very low | 48.5 | Very low | 174 Ų | 174 | 106.4 Ų | 106.4 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | trans | -73.3 | 111.4 | 174.3 | -64.3 | -79.9 | 0 | 0 | 0 | 108.3 | N360 C364 | N360-Y362 WeakPolarHBondContact O-CD2 3.45Å; N360-Y362 WeakPolarHBondContact O-CE2 3.44Å; N360-Y362 PolarHBondContact O-N 3.19Å; Y362-C364 PolarHBondContact O-N 2.98Å | ||
| 363 | Q | 37.5 | Very low | 51.5 | Low | 170 Ų | 170 | 103.8 Ų | 103.8 | 79% | 0.794 | 56% | 0.562 | S | S | * | * | trans | -63.9 | 101.3 | 170.3 | -77.1 | 174.5 | -16.4 | 0 | 0 | 108.1 | G361 F365 | G361-Q363 PolarHBondContact O-N 3.32Å; Q363-F365 PolarHBondContact O-N 3.06Å | ||
| 364 | C | 37.8 | Very low | 54.5 | Low | 109 Ų | 109 | 102 Ų | 102 | 74% | 0.736 | 55% | 0.553 | S | S | * | * | trans | -64 | 109.5 | 171.1 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | Y362 | Y362-C364 PolarHBondContact O-N 2.98Š| ||
| 365 | F | 49.1 | Very low | 57.4 | Low | 91 Ų | 91 | 99 Ų | 99 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | trans | -77.3 | 135.7 | 165.7 | -75.5 | -81.8 | 0 | 0 | 0 | 108.6 | Q363 E367 F468 D469 | Q363-F365 PolarHBondContact O-N 3.06Å; F365-E367 PolarHBondContact O-N 3.03Å; F365-F468 WeakPolarHBondContact CE1-O 3.33Å; F365-F468 WeakPolarHBondContact CE2-O 3.42Å; F365-F468 VanDerWaalsContact CZ-O 3.24Å; F365-F468 WeakPolarHBondContact CZ-O 3.24Å; F365-D469 HydrophobicContact CZ-CB 4.47Å | ||
| 366 | D | 62.4 | Low | 60.4 | Low | 90 Ų | 90 | 91 Ų | 91 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | trans | -68.7 | 118.4 | 176.4 | -167.4 | -11 | 0 | 0 | 0 | 108.8 | D368 W369 | D366-D368 PolarHBondContact O-N 3.03Å; D366-D368 PolarHBondContact OD1-N 3.02Å; D366-W369 WeakPolarHBondContact O-CB 3.43Å; D366-W369 VanDerWaalsContact O-CD1 3.29Å; D366-W369 PolarHBondContact O-N 3.2Å | ||
| 367 | E | 69 | Low | 63.5 | Low | 154 Ų | 154 | 85.9 Ų | 85.9 | 72% | 0.72 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -21.7 | 177.1 | -70.6 | -154.9 | 154.7 | 0 | 0 | 111.8 | F365 Y370 | F365-E367 PolarHBondContact O-N 3.03Å; E367-Y370 WeakPolarHBondContact O-CE1 3.4Å |
| 368 | D | 82.4 | Confident | 66.5 | Low | 45 Ų | 45 | 83.5 Ų | 83.5 | 24% | 0.241 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 14.2 | -178.2 | -66.6 | -34.1 | 0 | 0 | 0 | 114.2 | D366 Y370 L371 N507 | D366-D368 PolarHBondContact O-N 3.03Å; D366-D368 PolarHBondContact OD1-N 3.02Å; D368-Y370 PolarHBondContact O-N 3.32Å; D368-L371 HydrophobicContact CB-CD1 3.61Å; D368-L371 HydrophobicContact CB-CG 3.86Å; D368-L371 WeakPolarHBondContact O-CG 3.48Å; D368-L371 PolarHBondContact O-N 3.4Å; D368-N507 PolarHBondContact OD1-ND2 3.38Å; D368-N507 WeakPolarHBondContact OD2-CB 3.28Å; D368-N507 VanDerWaalsContact OD2-CG 3.3Å; D368-N507 PolarHBondContact OD2-ND2 2.89Å |
| 369 | W | 81.7 | Confident | 69.4 | Low | 66 Ų | 66 | 78.9 Ų | 78.9 | 25% | 0.25 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -26.1 | -175.3 | 68.5 | -89.4 | 0 | 0 | 0 | 114.4 | D366 F468 P470 I479 W481 P486 | D366-W369 WeakPolarHBondContact O-CB 3.43Å; D366-W369 VanDerWaalsContact O-CD1 3.29Å; D366-W369 PolarHBondContact O-N 3.2Å; W369-F468 HydrophobicContact CD2-CE1 4.35Å; W369-F468 AromaticContact CE2-CE1 3.66Å; W369-F468 HydrophobicContact CH2-CE1 4.19Å; W369-F468 AromaticContact CH2-CZ 3.99Å; W369-F468 HydrophobicContact CH2-CZ 3.99Å; W369-F468 AromaticContact CZ2-CE1 3.57Å; W369-F468 HydrophobicContact CZ2-CE1 3.57Å; W369-F468 AromaticContact CZ2-CZ 3.66Å; W369-F468 HydrophobicContact CZ2-CZ 3.66Å; W369-F468 AromaticContact NE1-CE1 3.92Å; W369-P470 HydrophobicContact CD2-CB 4.44Å; W369-P470 HydrophobicContact CE3-CB 4.02Å; W369-P470 HydrophobicContact CE3-CG 4.45Å; W369-P470 HydrophobicContact CH2-CB 4.47Å; W369-P470 HydrophobicContact CZ3-CB 4.03Å; W369-I479 HydrophobicContact CH2-CD1 4.21Å; W369-W481 AromaticContact CH2-CH2 3.73Å; W369-W481 HydrophobicContact CH2-CH2 3.73Å; W369-W481 AromaticContact CH2-CZ3 3.9Å; W369-W481 HydrophobicContact CH2-CZ3 3.9Å; W369-W481 AromaticContact CZ3-CH2 3.77Å; W369-W481 HydrophobicContact CZ3-CH2 3.77Å; W369-W481 HydrophobicContact CZ3-CZ3 4.06Å; W369-P486 HydrophobicContact CH2-CG 4.16Å; W369-P486 HydrophobicContact CZ2-CB 4.4Å; W369-P486 HydrophobicContact CZ2-CG 3.87Å |
| 370 | Y | 87.1 | Confident | 72.4 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -11.8 | -174.7 | 67.9 | -87.4 | 0 | 0 | 0 | 114.6 | E367 D368 L372 D373 W376 V485 P486 | E367-Y370 WeakPolarHBondContact O-CE1 3.4Å; D368-Y370 PolarHBondContact O-N 3.32Å; Y370-L372 PolarHBondContact O-N 3.14Å; Y370-D373 WeakPolarHBondContact O-CB 3.38Å; Y370-D373 PolarHBondContact O-N 3.41Å; Y370-W376 AromaticContact CD2-CD2 3.49Å; Y370-W376 HydrophobicContact CD2-CD2 3.49Å; Y370-W376 VanDerWaalsContact CD2-CD2 3.49Å; Y370-W376 AromaticContact CD2-CE2 3.6Å; Y370-W376 AromaticContact CD2-CE3 3.72Å; Y370-W376 HydrophobicContact CD2-CE3 3.72Å; Y370-W376 AromaticContact CD2-CG 3.91Å; Y370-W376 HydrophobicContact CD2-CG 3.91Å; Y370-W376 HydrophobicContact CD2-CH2 4.12Å; Y370-W376 AromaticContact CD2-CZ2 3.94Å; Y370-W376 HydrophobicContact CD2-CZ2 3.94Å; Y370-W376 HydrophobicContact CD2-CZ3 4.02Å; Y370-W376 AromaticContact CE2-CD2 3.98Å; Y370-W376 HydrophobicContact CE2-CD2 3.98Å; Y370-W376 AromaticContact CE2-CE2 3.61Å; Y370-W376 HydrophobicContact CE2-CE3 4.19Å; Y370-W376 AromaticContact CE2-CH2 3.73Å; Y370-W376 HydrophobicContact CE2-CH2 3.73Å; Y370-W376 AromaticContact CE2-CZ2 3.5Å; Y370-W376 HydrophobicContact CE2-CZ2 3.5Å; Y370-W376 HydrophobicContact CE2-CZ3 4.07Å; Y370-V485 HydrophobicContact CE1-CG1 3.86Å; Y370-P486 VanDerWaalsContact CB-CG 3.42Å; Y370-P486 HydrophobicContact CD1-CG 3.88Å; Y370-P486 HydrophobicContact CD2-CG 3.74Å; Y370-P486 HydrophobicContact CE2-CG 4.45Å; Y370-P486 HydrophobicContact CG-CG 3.39Å |
| 371 | L | 91.1 | Very high | 75.1 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.1 | -169.4 | -69.1 | -172.5 | 0 | 0 | 0 | 113.8 | D368 W376 L415 N507 M508 A511 | D368-L371 HydrophobicContact CB-CD1 3.61Å; D368-L371 HydrophobicContact CB-CG 3.86Å; D368-L371 WeakPolarHBondContact O-CG 3.48Å; D368-L371 PolarHBondContact O-N 3.4Å; L371-W376 HydrophobicContact CD2-CH2 4.39Å; L371-W376 HydrophobicContact CD2-CZ3 4.38Å; L371-L415 HydrophobicContact CB-CD1 4.43Å; L371-L415 HydrophobicContact CD2-CD1 3.86Å; L371-N507 HydrophobicContact CD1-CB 4.2Å; L371-M508 HydrophobicContact CD1-CG 4.15Å; L371-M508 HydrophobicContact CD2-CE 3.84Å; L371-M508 HydrophobicContact CD2-CG 3.85Å; L371-A511 HydrophobicContact CB-CB 4.08Å; L371-A511 HydrophobicContact CD1-CB 4.28Å |
| 372 | L | 90.9 | Very high | 77.7 | Confident | 83 Ų | 83 | 73.2 Ų | 73.2 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 8.5 | 176.6 | -62.3 | 177.8 | 0 | 0 | 0 | 113 | Y370 L374 A511 I514 L515 | Y370-L372 PolarHBondContact O-N 3.14Å; L372-L374 PolarHBondContact O-N 2.91Å; L372-A511 HydrophobicContact CD2-CB 4.06Å; L372-I514 HydrophobicContact CD1-CD1 4.26Å; L372-I514 HydrophobicContact CD1-CG2 4.15Å; L372-I514 HydrophobicContact CD2-CG2 4.27Å; L372-L515 HydrophobicContact CD2-CD1 4.49Å; L372-L515 HydrophobicContact CD2-CD2 3.99Å; L372-L515 HydrophobicContact CD2-CG 3.94Å |
| 373 | D | 90.5 | Very high | 79.6 | Confident | 28 Ų | 28 | 67.6 Ų | 67.6 | 15% | 0.15 | 33% | 0.331 | C | S | . | . | trans | -73.4 | 120 | 178.3 | -166 | -49.8 | 0 | 0 | 0 | 110.2 | Y370 R375 W376 L377 W481 | Y370-D373 WeakPolarHBondContact O-CB 3.38Å; Y370-D373 PolarHBondContact O-N 3.41Å; D373-R375 PolarHBondContact O-N 3.19Å; D373-R375 VanDerWaalsContact O-N 3.15Å; D373-R375 VanDerWaalsContact OD1-CB 3.25Å; D373-R375 WeakPolarHBondContact OD1-CB 3.19Å; D373-R375 WeakPolarHBondContact OD1-CG 3.31Å; D373-R375 IonicContact OD1-CZ 2.8Å; D373-R375 PolarHBondContact OD1-N 3.43Å; D373-R375 IonicContact OD1-NE 2.77Å; D373-R375 PolarHBondContact OD1-NE 3.31Å; D373-R375 IonicContact OD1-NH2 3.03Å; D373-R375 IonicContact OD2-CZ 2.79Å; D373-R375 IonicContact OD2-NE 2.73Å; D373-R375 PolarHBondContact OD2-NE 2.9Å; D373-R375 IonicContact OD2-NH2 2.92Å; D373-R375 PolarHBondContact OD2-NH2 3.43Å; D373-W376 HydrophobicContact CB-CB 4.4Å; D373-W376 PolarHBondContact O-N 3.4Å; D373-W376 VanDerWaalsContact O-N 3.13Å; D373-L377 WeakPolarHBondContact O-CB 3.47Å; D373-L377 WeakPolarHBondContact O-CG 3.31Å; D373-L377 PolarHBondContact O-N 2.92Å; D373-W481 HydrophobicContact CB-CZ3 4.22Å; D373-W481 WeakPolarHBondContact OD2-CH2 3.44Å | ||
| 374 | L | 91.9 | Very high | 81.3 | Confident | 103 Ų | 103 | 61.8 Ų | 61.8 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -29.3 | -178 | -54.4 | 176.7 | 0 | 0 | 0 | 112.2 | L372 S378 Y419 | L372-L374 PolarHBondContact O-N 2.91Å; L374-S378 WeakPolarHBondContact O-CB 3.28Å; L374-S378 PolarHBondContact O-N 3.38Å; L374-S378 PolarHBondContact O-OG 3.01Å; L374-Y419 HydrophobicContact CD2-CD2 4.49Å; L374-Y419 HydrophobicContact CD2-CE2 3.43Å; L374-Y419 VanDerWaalsContact CD2-CE2 3.43Å; L374-Y419 WeakPolarHBondContact CD2-OH 3.08Å |
| 375 | R | 90.3 | Very high | 82.9 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 179.3 | -62 | 168.8 | -72.2 | -173.8 | 3.1 | 111.1 | D373 S378 A379 W481 | D373-R375 PolarHBondContact O-N 3.19Å; D373-R375 VanDerWaalsContact O-N 3.15Å; D373-R375 VanDerWaalsContact OD1-CB 3.25Å; D373-R375 WeakPolarHBondContact OD1-CB 3.19Å; D373-R375 WeakPolarHBondContact OD1-CG 3.31Å; D373-R375 IonicContact OD1-CZ 2.8Å; D373-R375 PolarHBondContact OD1-N 3.43Å; D373-R375 IonicContact OD1-NE 2.77Å; D373-R375 PolarHBondContact OD1-NE 3.31Å; D373-R375 IonicContact OD1-NH2 3.03Å; D373-R375 IonicContact OD2-CZ 2.79Å; D373-R375 IonicContact OD2-NE 2.73Å; D373-R375 PolarHBondContact OD2-NE 2.9Å; D373-R375 IonicContact OD2-NH2 2.92Å; D373-R375 PolarHBondContact OD2-NH2 3.43Å; R375-S378 PolarHBondContact O-OG 3.12Å; R375-A379 WeakPolarHBondContact O-CB 3.44Å; R375-A379 PolarHBondContact O-N 3.25Å; R375-W481 HydrophobicContact CB-CD2 3.72Å; R375-W481 HydrophobicContact CB-CE3 3.97Å; R375-W481 HydrophobicContact CB-CG 4.25Å; R375-W481 HydrophobicContact CB-CH2 4.11Å; R375-W481 HydrophobicContact CB-CZ2 3.95Å; R375-W481 HydrophobicContact CB-CZ3 4.14Å; R375-W481 HydrophobicContact CG-CZ2 4.5Å |
| 376 | W | 91.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.8 | -45.5 | 174.8 | -175.8 | 68 | 0 | 0 | 0 | 112 | Y370 L371 D373 S378 A379 P412 L415 R416 W481 E483 D484 P486 | Y370-W376 AromaticContact CD2-CD2 3.49Å; Y370-W376 HydrophobicContact CD2-CD2 3.49Å; Y370-W376 VanDerWaalsContact CD2-CD2 3.49Å; Y370-W376 AromaticContact CD2-CE2 3.6Å; Y370-W376 AromaticContact CD2-CE3 3.72Å; Y370-W376 HydrophobicContact CD2-CE3 3.72Å; Y370-W376 AromaticContact CD2-CG 3.91Å; Y370-W376 HydrophobicContact CD2-CG 3.91Å; Y370-W376 HydrophobicContact CD2-CH2 4.12Å; Y370-W376 AromaticContact CD2-CZ2 3.94Å; Y370-W376 HydrophobicContact CD2-CZ2 3.94Å; Y370-W376 HydrophobicContact CD2-CZ3 4.02Å; Y370-W376 AromaticContact CE2-CD2 3.98Å; Y370-W376 HydrophobicContact CE2-CD2 3.98Å; Y370-W376 AromaticContact CE2-CE2 3.61Å; Y370-W376 HydrophobicContact CE2-CE3 4.19Å; Y370-W376 AromaticContact CE2-CH2 3.73Å; Y370-W376 HydrophobicContact CE2-CH2 3.73Å; Y370-W376 AromaticContact CE2-CZ2 3.5Å; Y370-W376 HydrophobicContact CE2-CZ2 3.5Å; Y370-W376 HydrophobicContact CE2-CZ3 4.07Å; L371-W376 HydrophobicContact CD2-CH2 4.39Å; L371-W376 HydrophobicContact CD2-CZ3 4.38Å; D373-W376 HydrophobicContact CB-CB 4.4Å; D373-W376 PolarHBondContact O-N 3.4Å; D373-W376 VanDerWaalsContact O-N 3.13Å; W376-S378 VanDerWaalsContact C-N 3.35Å; W376-S378 PolarHBondContact O-N 3.25Å; W376-A379 WeakPolarHBondContact O-CB 3.46Å; W376-A379 PolarHBondContact O-N 2.79Å; W376-P412 HydrophobicContact CH2-CB 4.13Å; W376-P412 HydrophobicContact CH2-CG 4.47Å; W376-P412 HydrophobicContact CZ2-CB 3.74Å; W376-P412 HydrophobicContact CZ2-CG 4.11Å; W376-L415 HydrophobicContact CH2-CB 4.31Å; W376-L415 HydrophobicContact CH2-CD1 3.91Å; W376-L415 HydrophobicContact CZ3-CB 4.04Å; W376-L415 HydrophobicContact CZ3-CD1 3.72Å; W376-R416 PolarHBondContact O-NE 3.29Å; W376-W481 HydrophobicContact CB-CE3 3.52Å; W376-W481 HydrophobicContact CB-CZ3 3.84Å; W376-W481 VanDerWaalsContact CD1-O 3.28Å; W376-W481 HydrophobicContact CG-CE3 4.35Å; W376-E483 PolarHBondContact NE1-O 3.17Å; W376-D484 WeakPolarHBondContact CZ2-O 3.36Å; W376-P486 HydrophobicContact CG-CG 4.48Å |
| 377 | L | 93.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.2 | -32.1 | -178.1 | -69.1 | 174.8 | 0 | 0 | 0 | 113 | D373 L415 Y419 Q420 L515 | D373-L377 WeakPolarHBondContact O-CB 3.47Å; D373-L377 WeakPolarHBondContact O-CG 3.31Å; D373-L377 PolarHBondContact O-N 2.92Å; L377-L415 HydrophobicContact CD2-CB 3.71Å; L377-Y419 HydrophobicContact CB-CD1 3.55Å; L377-Y419 HydrophobicContact CB-CD2 4.07Å; L377-Y419 HydrophobicContact CB-CE1 4.04Å; L377-Y419 HydrophobicContact CB-CE2 4.5Å; L377-Y419 HydrophobicContact CB-CG 3.57Å; L377-Y419 HydrophobicContact CD1-CD2 3.85Å; L377-Y419 HydrophobicContact CD1-CE2 4.4Å; L377-Y419 HydrophobicContact CD1-CG 4.07Å; L377-Y419 HydrophobicContact CG-CG 4.35Å; L377-Y419 WeakPolarHBondContact O-CD1 3.39Å; L377-Q420 PolarHBondContact O-NE2 2.98Å; L377-L515 HydrophobicContact CD1-CD1 4.16Å; L377-L515 HydrophobicContact CD1-CD2 3.96Å; L377-L515 HydrophobicContact CD2-CD1 4.15Å |
| 378 | S | 92.3 | Very high | 86.4 | Confident | 67 Ų | 67 | 48.2 Ų | 48.2 | 47% | 0.469 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -83 | -16.1 | 175.3 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | L374 R375 W376 Q420 | L374-S378 WeakPolarHBondContact O-CB 3.28Å; L374-S378 PolarHBondContact O-N 3.38Å; L374-S378 PolarHBondContact O-OG 3.01Å; R375-S378 PolarHBondContact O-OG 3.12Å; W376-S378 VanDerWaalsContact C-N 3.35Å; W376-S378 PolarHBondContact O-N 3.25Å; S378-Q420 PolarHBondContact O-NE2 3.21Å |
| 379 | A | 91.4 | Very high | 87 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 11% | 0.107 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -68.5 | 140.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R375 W376 R416 W481 T482 | R375-A379 WeakPolarHBondContact O-CB 3.44Å; R375-A379 PolarHBondContact O-N 3.25Å; W376-A379 WeakPolarHBondContact O-CB 3.46Å; W376-A379 PolarHBondContact O-N 2.79Å; A379-R416 WeakPolarHBondContact O-CD 3.18Å; A379-R416 PolarHBondContact O-NE 3.23Å; A379-W481 HydrophobicContact CB-CB 3.78Å; A379-W481 WeakPolarHBondContact CB-O 3.2Å; A379-T482 HydrophobicContact CB-CG2 4.38Å |
| 380 | R | 92.5 | Very high | 87.4 | Confident | 118 Ų | 118 | 43.2 Ų | 43.2 | 45% | 0.445 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -77.8 | 130.4 | 170.6 | -175.2 | 175.8 | -174.9 | -175.4 | 7.3 | 109.3 | D391 C394 T482 | R380-D391 HydrophobicContact CG-CB 3.94Å; R380-D391 IonicContact CZ-OD2 2.96Å; R380-D391 VanDerWaalsContact CZ-OD2 3.26Å; R380-D391 IonicContact NE-OD2 3.96Å; R380-D391 PolarHBondContact NE-OD2 3.5Å; R380-D391 IonicContact NH2-OD2 2.87Å; R380-D391 PolarHBondContact NH2-OD2 3.3Å; R380-C394 HydrophobicContact CG-CB 4.32Å; R380-T482 VanDerWaalsContact O-CB 3.28Å; R380-T482 WeakPolarHBondContact O-CB 3.4Å; R380-T482 WeakPolarHBondContact O-CG2 3.46Å |
| 381 | S | 88.1 | Confident | 87.7 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -62 | 138.5 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | R383 S390 T482 | S381-R383 PolarHBondContact OG-N 3.15Å; S381-S390 WeakPolarHBondContact OG-CB 3.37Å; S381-S390 PolarHBondContact OG-OG 3.49Å; S381-T482 WeakPolarHBondContact CA-O 3.33Å |
| 382 | Q | 82.4 | Confident | 87.9 | Confident | 113 Ų | 113 | 42.4 Ų | 42.4 | 53% | 0.528 | 22% | 0.215 | S | C | . | . | trans | -96.1 | -5.1 | 171.3 | -76.4 | -177.7 | 26.5 | 0 | 0 | 113.8 | I384 T482 | Q382-I384 PolarHBondContact O-N 3.26Å; Q382-T482 HydrophobicContact CG-CG2 4.19Å; Q382-T482 VanDerWaalsContact CG-OG1 3.31Å; Q382-T482 WeakPolarHBondContact CG-OG1 3.29Å; Q382-T482 PolarHBondContact N-O 2.7Å; Q382-T482 PolarHBondContact NE2-OG1 3.31Å; Q382-T482 VanDerWaalsContact NE2-OG1 3.1Å | ||
| 383 | R | 77 | Confident | 88 | Confident | 55 Ų | 55 | 38.7 Ų | 38.7 | 21% | 0.208 | 20% | 0.196 | C | C | . | . | trans | -76.2 | 39.5 | -177.6 | -70.8 | -74.7 | -178.1 | 151.3 | 4.3 | 114.3 | S381 S385 D386 N387 E483 T497 | S381-R383 PolarHBondContact OG-N 3.15Å; R383-S385 VanDerWaalsContact C-N 3.31Å; R383-S385 PolarHBondContact O-N 2.78Å; R383-D386 WeakPolarHBondContact CD-OD2 3.14Å; R383-D386 IonicContact CZ-OD2 3.24Å; R383-D386 IonicContact NH1-OD2 2.66Å; R383-D386 PolarHBondContact NH1-OD2 3.36Å; R383-D386 PolarHBondContact O-N 3.36Å; R383-N387 PolarHBondContact O-N 3.49Å; R383-E483 IonicContact CZ-OE2 3.86Å; R383-E483 IonicContact NE-OE2 3.87Å; R383-E483 PolarHBondContact NE-OE2 3.14Å; R383-E483 IonicContact NH2-OE2 2.98Å; R383-E483 PolarHBondContact NH2-OE2 2.86Å; R383-T497 PolarHBondContact NH2-OG1 2.88Å | ||
| 384 | I | 74.9 | Confident | 88.2 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -28.7 | -173.9 | -61.6 | 163.7 | 0 | 0 | 0 | 111.4 | R301 Q382 N387 P388 | R301-I384 HydrophobicContact CB-CG2 4.38Å; R301-I384 VanDerWaalsContact CD-CG2 3.42Å; R301-I384 HydrophobicContact CG-CG2 3.67Å; Q382-I384 PolarHBondContact O-N 3.26Å; I384-N387 CarbonylContact O-C 3.6Å; I384-P388 WeakPolarHBondContact O-CA 3.4Å |
| 385 | S | 70.6 | Confident | 88.3 | Confident | 74 Ų | 74 | 35.5 Ų | 35.5 | 52% | 0.517 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -42 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | S297 S327 R383 | S297-S385 PolarHBondContact OG-O 2.72Å; S327-S385 PolarHBondContact OG-O 3.3Å; R383-S385 VanDerWaalsContact C-N 3.31Å; R383-S385 PolarHBondContact O-N 2.78Å |
| 386 | D | 75.8 | Confident | 88.6 | Confident | 70 Ų | 70 | 31.1 Ų | 31.1 | 37% | 0.374 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -42.1 | -170.7 | -57.3 | -14 | 0 | 0 | 0 | 110.7 | R383 | R383-D386 WeakPolarHBondContact CD-OD2 3.14Å; R383-D386 IonicContact CZ-OD2 3.24Å; R383-D386 IonicContact NH1-OD2 2.66Å; R383-D386 PolarHBondContact NH1-OD2 3.36Å; R383-D386 PolarHBondContact O-N 3.36Å |
| 387 | N | 88.2 | Confident | 88.7 | Confident | 16 Ų | 16 | 34 Ų | 34 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | trans | -134 | 103.9 | 173.9 | -175.5 | -2.7 | 0 | 0 | 0 | 109.8 | H324 R383 I384 L389 S390 Q408 | H324-N387 PolarHBondContact CE1-OD1 2.76Å; H324-N387 VanDerWaalsContact CE1-OD1 3.3Å; R383-N387 PolarHBondContact O-N 3.49Å; I384-N387 CarbonylContact O-C 3.6Å; N387-L389 PolarHBondContact O-N 3.26Å; N387-L389 WeakPolarHBondContact OD1-CB 3.41Å; N387-L389 PolarHBondContact OD1-N 3.5Å; N387-S390 WeakPolarHBondContact O-CB 3.27Å; N387-S390 PolarHBondContact O-N 2.79Å; N387-S390 PolarHBondContact O-OG 3.11Å; N387-Q408 PolarHBondContact ND2-O 2.51Å; N387-Q408 VanDerWaalsContact ND2-O 3.12Å | ||
| 388 | P | 90.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.1 | -178.9 | 27.5 | -35.9 | 0 | 0 | 0 | 113.9 | A300 R301 H324 I384 | A300-P388 HydrophobicContact CB-CB 4.01Å; A300-P388 HydrophobicContact CB-CG 3.66Å; R301-P388 HydrophobicContact CB-CB 4.01Å; R301-P388 PolarHBondContact NH1-O 3.41Å; H324-P388 HydrophobicContact CB-CG 3.9Å; I384-P388 WeakPolarHBondContact O-CA 3.4Å |
| 389 | L | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 2.6 | 177.4 | -52.4 | -179.7 | 0 | 0 | 0 | 113.2 | V304 L320 F323 N387 D391 L392 L404 Q408 M413 | V304-L389 HydrophobicContact CG2-CD2 3.7Å; L320-L389 HydrophobicContact CD1-CD2 3.83Å; F323-L389 HydrophobicContact CD1-CD2 3.98Å; F323-L389 HydrophobicContact CE1-CD2 4.19Å; N387-L389 PolarHBondContact O-N 3.26Å; N387-L389 WeakPolarHBondContact OD1-CB 3.41Å; N387-L389 PolarHBondContact OD1-N 3.5Å; L389-D391 PolarHBondContact O-N 2.62Å; L389-D391 VanDerWaalsContact O-N 3.11Å; L389-L392 HydrophobicContact CB-CD1 4.1Å; L389-L392 HydrophobicContact CB-CG 4.05Å; L389-L392 HydrophobicContact CD2-CD2 4.22Å; L389-L392 HydrophobicContact CD2-CG 4.48Å; L389-L392 VanDerWaalsContact O-CG 3.29Å; L389-L392 WeakPolarHBondContact O-CG 3.48Å; L389-L392 PolarHBondContact O-N 2.73Å; L389-L404 HydrophobicContact CD1-CD2 4Å; L389-Q408 HydrophobicContact CD1-CB 4.39Å; L389-M413 HydrophobicContact CB-CE 3.88Å; L389-M413 HydrophobicContact CB-SD 4.37Å; L389-M413 VanDerWaalsContact O-CE 3.24Å; L389-M413 WeakPolarHBondContact O-CE 3.22Å |
| 390 | S | 91.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.9 | -172.3 | 63.8 | 0 | 0 | 0 | 0 | 115.1 | S381 N387 | S381-S390 WeakPolarHBondContact OG-CB 3.37Å; S381-S390 PolarHBondContact OG-OG 3.49Å; N387-S390 WeakPolarHBondContact O-CB 3.27Å; N387-S390 PolarHBondContact O-N 2.79Å; N387-S390 PolarHBondContact O-OG 3.11Å |
| 391 | D | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 21.9 | -179.7 | 74.2 | -22.9 | 0 | 0 | 0 | 113.8 | R301 R380 L389 S393 C394 L395 | R301-D391 IonicContact CZ-OD1 3.36Å; R301-D391 IonicContact CZ-OD2 3.5Å; R301-D391 VanDerWaalsContact NH1-CG 3.34Å; R301-D391 IonicContact NH1-OD1 3.94Å; R301-D391 PolarHBondContact NH1-OD1 3.18Å; R301-D391 IonicContact NH1-OD2 3.92Å; R301-D391 PolarHBondContact NH1-OD2 2.78Å; R301-D391 IonicContact NH2-OD1 3.23Å; R301-D391 IonicContact NH2-OD2 3.89Å; R301-D391 PolarHBondContact NH2-OD2 3.43Å; R380-D391 HydrophobicContact CG-CB 3.94Å; R380-D391 IonicContact CZ-OD2 2.96Å; R380-D391 VanDerWaalsContact CZ-OD2 3.26Å; R380-D391 IonicContact NE-OD2 3.96Å; R380-D391 PolarHBondContact NE-OD2 3.5Å; R380-D391 IonicContact NH2-OD2 2.87Å; R380-D391 PolarHBondContact NH2-OD2 3.3Å; L389-D391 PolarHBondContact O-N 2.62Å; L389-D391 VanDerWaalsContact O-N 3.11Å; D391-S393 PolarHBondContact O-N 3Å; D391-C394 PolarHBondContact O-N 3.41Å; D391-L395 PolarHBondContact O-N 2.71Å; D391-L395 WeakPolarHBondContact OD1-CD1 3.43Å |
| 392 | L | 95.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -50.6 | -33.4 | 176.3 | -78.7 | -173.8 | 0 | 0 | 0 | 112.6 | V304 L318 L389 C394 L395 F396 L402 M413 L417 | V304-L392 HydrophobicContact CG1-CD2 4.19Å; L318-L392 HydrophobicContact CD2-CD1 4.22Å; L318-L392 HydrophobicContact CD2-CD2 4.03Å; L389-L392 HydrophobicContact CB-CD1 4.1Å; L389-L392 HydrophobicContact CB-CG 4.05Å; L389-L392 HydrophobicContact CD2-CD2 4.22Å; L389-L392 HydrophobicContact CD2-CG 4.48Å; L389-L392 VanDerWaalsContact O-CG 3.29Å; L389-L392 WeakPolarHBondContact O-CG 3.48Å; L389-L392 PolarHBondContact O-N 2.73Å; L392-C394 VanDerWaalsContact C-N 3.3Å; L392-C394 PolarHBondContact O-N 2.6Å; L392-L395 PolarHBondContact O-N 2.94Å; L392-F396 HydrophobicContact CD2-CD2 3.63Å; L392-F396 HydrophobicContact CD2-CE2 3.46Å; L392-F396 VanDerWaalsContact CD2-CE2 3.46Å; L392-F396 PolarHBondContact O-N 2.81Å; L392-L402 HydrophobicContact CD1-CD1 4.11Å; L392-M413 HydrophobicContact CB-CE 4.42Å; L392-M413 HydrophobicContact CD1-CE 3.58Å; L392-M413 HydrophobicContact CG-CE 4.12Å; L392-L417 HydrophobicContact CB-CD2 4.01Å |
| 393 | S | 93.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -38.1 | 178 | 66 | 0 | 0 | 0 | 0 | 113.2 | D391 Q420 | D391-S393 PolarHBondContact O-N 3Å; S393-Q420 VanDerWaalsContact CB-OE1 3.24Å; S393-Q420 PolarHBondContact OG-OE1 3.37Å |
| 394 | C | 93.2 | Very high | 91.8 | Very high | 49 Ų | 49 | 30.7 Ų | 30.7 | 33% | 0.331 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -78.8 | -36.8 | 176 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | R380 D391 L392 Q420 | R380-C394 HydrophobicContact CG-CB 4.32Å; D391-C394 PolarHBondContact O-N 3.41Å; L392-C394 VanDerWaalsContact C-N 3.3Å; L392-C394 PolarHBondContact O-N 2.6Å; C394-Q420 PolarHBondContact SG-OE1 3.37Å |
| 395 | L | 95.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 28.4 Ų | 28.4 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -76.2 | -28.8 | -174.7 | -66.5 | -178.5 | 0 | 0 | 0 | 113.4 | V304 S308 S312 D391 L392 | V304-L395 HydrophobicContact CG1-CD1 3.38Å; S308-L395 PolarHBondContact OG-O 3.16Å; S312-L395 VanDerWaalsContact CB-O 3.24Å; S312-L395 WeakPolarHBondContact CB-O 3.33Å; S312-L395 PolarHBondContact OG-O 2.68Å; D391-L395 PolarHBondContact O-N 2.71Å; D391-L395 WeakPolarHBondContact OD1-CD1 3.43Å; L392-L395 PolarHBondContact O-N 2.94Å |
| 396 | F | 96.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | trans | -136.6 | 72.1 | -174 | -52.6 | -72.2 | 0 | 0 | 0 | 111.3 | V304 I307 L315 L318 L392 K398 I399 | V304-F396 HydrophobicContact CG1-CE2 4.18Å; V304-F396 HydrophobicContact CG1-CZ 4.49Å; I307-F396 HydrophobicContact CB-CE1 4.45Å; I307-F396 HydrophobicContact CB-CZ 4.15Å; I307-F396 HydrophobicContact CG2-CE1 3.75Å; I307-F396 HydrophobicContact CG2-CZ 3.76Å; L315-F396 HydrophobicContact CB-CD1 4.3Å; L315-F396 HydrophobicContact CD2-CD1 3.62Å; L315-F396 HydrophobicContact CD2-CE1 3.78Å; L315-F396 HydrophobicContact CD2-CG 4.17Å; L315-F396 HydrophobicContact CD2-CZ 4.44Å; L318-F396 HydrophobicContact CD2-CD2 4.02Å; L318-F396 HydrophobicContact CD2-CE2 4.09Å; L392-F396 HydrophobicContact CD2-CD2 3.63Å; L392-F396 HydrophobicContact CD2-CE2 3.46Å; L392-F396 VanDerWaalsContact CD2-CE2 3.46Å; L392-F396 PolarHBondContact O-N 2.81Å; F396-K398 PolarHBondContact O-N 2.97Å; F396-K398 VanDerWaalsContact O-N 3.11Å; F396-I399 HydrophobicContact CB-CD1 3.3Å; F396-I399 HydrophobicContact CB-CG1 3.51Å; F396-I399 HydrophobicContact CD2-CD1 4.04Å; F396-I399 HydrophobicContact CG-CD1 3.93Å; F396-I399 HydrophobicContact CG-CG1 4.45Å; F396-I399 WeakPolarHBondContact O-CG1 3.33Å; F396-I399 PolarHBondContact O-N 3.32Å; F396-I399 VanDerWaalsContact O-N 3.13Å | ||
| 397 | P | 94.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 22.3 Ų | 22.3 | 39% | 0.39 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.8 | -173.1 | 25.1 | -35.7 | 0 | 0 | 0 | 114.2 | ||
| 398 | K | 95.8 | Very high | 94.7 | Very high | 112 Ų | 112 | 21.7 Ų | 21.7 | 49% | 0.487 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 10.5 | 178.9 | -62.2 | -162.5 | -169.5 | 165.9 | 0 | 114.2 | H313 L315 F396 I400 | H313-K398 WeakPolarHBondContact O-CD 3.31Å; H313-K398 WeakPolarHBondContact O-CE 3.44Å; H313-K398 PolarHBondContact O-NZ 3.42Å; L315-K398 CarbonylContact O-C 3.41Å; F396-K398 PolarHBondContact O-N 2.97Å; F396-K398 VanDerWaalsContact O-N 3.11Å; K398-I400 WeakPolarHBondContact O-CG1 3.24Å; K398-I400 PolarHBondContact O-N 2.93Å |
| 399 | I | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -59.7 | 133.3 | 175.1 | -76.8 | 177.6 | 0 | 0 | 0 | 110.1 | L318 F396 L402 S422 L423 | L318-I399 HydrophobicContact CB-CD1 4.07Å; L318-I399 HydrophobicContact CD2-CD1 3.75Å; F396-I399 HydrophobicContact CB-CD1 3.3Å; F396-I399 HydrophobicContact CB-CG1 3.51Å; F396-I399 HydrophobicContact CD2-CD1 4.04Å; F396-I399 HydrophobicContact CG-CD1 3.93Å; F396-I399 HydrophobicContact CG-CG1 4.45Å; F396-I399 WeakPolarHBondContact O-CG1 3.33Å; F396-I399 PolarHBondContact O-N 3.32Å; F396-I399 VanDerWaalsContact O-N 3.13Å; I399-L402 HydrophobicContact CG2-CB 4.35Å; I399-S422 CarbonylContact O-C 3.59Å; I399-S422 PolarHBondContact O-N 2.91Å; I399-L423 HydrophobicContact CG2-CD1 3.83Å; I399-L423 PolarHBondContact O-N 2.97Å; I399-L423 VanDerWaalsContact O-N 3.16Å | ||
| 400 | I | 97.4 | Very high | 94.7 | Very high | 59 Ų | 59 | 23.2 Ų | 23.2 | 30% | 0.303 | 12% | 0.119 | S | C | . | . | trans | -119.3 | -35.9 | 177.3 | -62.1 | 178.2 | 0 | 0 | 0 | 109.9 | T316 K398 H424 Q425 | T316-I400 HydrophobicContact CG2-CD1 4.12Å; T316-I400 PolarHBondContact O-N 2.92Å; K398-I400 WeakPolarHBondContact O-CG1 3.24Å; K398-I400 PolarHBondContact O-N 2.93Å; I400-H424 WeakPolarHBondContact CG2-CE1 3.03Å; I400-H424 WeakPolarHBondContact CG2-ND1 3.14Å; I400-H424 PolarHBondContact O-N 3.37Å; I400-Q425 PolarHBondContact O-N 3.14Å | ||
| 401 | R | 97.8 | Very high | 94.8 | Very high | 115 Ų | 115 | 23.2 Ų | 23.2 | 43% | 0.434 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.3 | -180 | -56.3 | -174.6 | 169.4 | 159.7 | 1.5 | 110.4 | T316 D317 L318 Q425 | T316-R401 PolarHBondContact O-N 3.01Å; D317-R401 WeakPolarHBondContact CA-O 3.36Å; D317-R401 HydrophobicContact CB-CB 4.29Å; L318-R401 PolarHBondContact N-O 3.38Å; R401-Q425 WeakPolarHBondContact CA-O 3.26Å; R401-Q425 HydrophobicContact CG-CB 4.12Å |
| 402 | L | 98.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 130.1 | 177.3 | -179.5 | 61.7 | 0 | 0 | 0 | 109.8 | L318 L392 I399 L404 L417 L423 Q425 L426 S427 | L318-L402 HydrophobicContact CB-CD1 4.21Å; L318-L402 HydrophobicContact CD2-CD1 4.32Å; L318-L402 HydrophobicContact CG-CD1 4.21Å; L318-L402 CarbonylContact O-C 3.49Å; L318-L402 WeakPolarHBondContact O-CA 3.48Å; L392-L402 HydrophobicContact CD1-CD1 4.11Å; I399-L402 HydrophobicContact CG2-CB 4.35Å; L402-L404 HydrophobicContact CD1-CD1 4.26Å; L402-L404 HydrophobicContact CD1-CD2 4.28Å; L402-L404 HydrophobicContact CD1-CG 4.02Å; L402-L404 HydrophobicContact CD2-CD1 3.85Å; L402-L404 HydrophobicContact CD2-CG 4.36Å; L402-L404 HydrophobicContact CG-CD1 4.05Å; L402-L404 HydrophobicContact CG-CG 4Å; L402-L417 HydrophobicContact CD2-CD1 3.54Å; L402-L417 HydrophobicContact CD2-CD2 4.49Å; L402-L423 HydrophobicContact CB-CD1 3.59Å; L402-L423 HydrophobicContact CB-CD2 4.47Å; L402-L423 HydrophobicContact CD2-CD2 4.43Å; L402-Q425 PolarHBondContact N-O 3.36Å; L402-L426 HydrophobicContact CB-CD1 4.28Å; L402-L426 HydrophobicContact CD2-CD1 4.3Å; L402-L426 HydrophobicContact CG-CD1 4.28Å; L402-L426 CarbonylContact O-C 3.56Å; L402-L426 WeakPolarHBondContact O-CA 3.27Å; L402-S427 PolarHBondContact O-N 2.93Å |
| 403 | T | 98.2 | Very high | 94.7 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.2 | 176.2 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | L318 N319 L320 V321 S427 I429 | L318-T403 PolarHBondContact O-N 3.32Å; N319-T403 WeakPolarHBondContact CA-O 3.49Å; N319-T403 HydrophobicContact CB-CG2 4.46Å; L320-T403 PolarHBondContact N-O 2.98Å; V321-T403 HydrophobicContact CG2-CG2 3.75Å; T403-S427 VanDerWaalsContact CA-O 3.28Å; T403-S427 WeakPolarHBondContact CA-O 3.43Å; T403-I429 HydrophobicContact CG2-CD1 3.46Å; T403-I429 VanDerWaalsContact CG2-CD1 3.46Å; T403-I429 HydrophobicContact CG2-CG1 3.7Å |
| 404 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 161.3 | -176.8 | -67.3 | 177 | 0 | 0 | 0 | 111.1 | L320 L389 L402 Q408 L409 M413 S427 L428 I429 | L320-L404 HydrophobicContact CB-CD2 3.82Å; L389-L404 HydrophobicContact CD1-CD2 4Å; L402-L404 HydrophobicContact CD1-CD1 4.26Å; L402-L404 HydrophobicContact CD1-CD2 4.28Å; L402-L404 HydrophobicContact CD1-CG 4.02Å; L402-L404 HydrophobicContact CD2-CD1 3.85Å; L402-L404 HydrophobicContact CD2-CG 4.36Å; L402-L404 HydrophobicContact CG-CD1 4.05Å; L402-L404 HydrophobicContact CG-CG 4Å; L404-Q408 HydrophobicContact CB-CB 4.5Å; L404-L409 HydrophobicContact CD1-CB 4.36Å; L404-L409 HydrophobicContact CD1-CD1 4.23Å; L404-M413 HydrophobicContact CD1-CE 3.79Å; L404-S427 PolarHBondContact N-O 3.37Å; L404-L428 WeakPolarHBondContact O-CA 3.15Å; L404-I429 PolarHBondContact O-N 3.03Å |
| 405 | S | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -68 | 143.1 | 158.8 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | H322 T407 Q408 I429 T434 | H322-S405 PolarHBondContact NE2-OG 2.76Å; S405-T407 PolarHBondContact O-N 2.94Å; S405-T407 PolarHBondContact OG-OG1 3.46Å; S405-Q408 PolarHBondContact O-N 2.99Å; S405-I429 WeakPolarHBondContact CA-O 2.91Å; S405-T434 WeakPolarHBondContact OG-CG2 3.41Å | ||
| 406 | P | 92.9 | Very high | 95 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.032 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -49.2 | -36.4 | 177 | -25.8 | 29.7 | 0 | 0 | 0 | 113.4 | Q408 L409 L428 I429 Q430 W501 Y554 | P406-Q408 VanDerWaalsContact C-N 3.27Å; P406-Q408 PolarHBondContact O-N 3.1Å; P406-L409 PolarHBondContact O-N 3.43Å; P406-L428 HydrophobicContact CG-CB 4.24Å; P406-I429 VanDerWaalsContact CD-O 3.29Å; P406-I429 WeakPolarHBondContact CD-O 3.11Å; P406-Q430 HydrophobicContact CG-CB 4.3Å; P406-W501 VanDerWaalsContact O-CZ2 3.22Å; P406-W501 WeakPolarHBondContact O-CZ2 3.46Å; P406-W501 PolarHBondContact O-NE1 3.35Å; P406-Y554 WeakPolarHBondContact CB-O 3.43Å |
| 407 | T | 89.7 | Confident | 95 | Very high | 11 Ų | 11 | 20.6 Ų | 20.6 | 7% | 0.067 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -72.7 | -11.6 | -177 | 60.4 | 0 | 0 | 0 | 0 | 115.2 | S405 T434 T437 I438 W501 Y554 | S405-T407 PolarHBondContact O-N 2.94Å; S405-T407 PolarHBondContact OG-OG1 3.46Å; T407-T434 HydrophobicContact CG2-CG2 3.62Å; T407-T437 WeakPolarHBondContact CB-OG1 3.48Å; T407-T437 WeakPolarHBondContact OG1-CB 3.5Å; T407-T437 PolarHBondContact OG1-OG1 3.44Å; T407-I438 HydrophobicContact CG2-CD1 3.58Å; T407-I438 HydrophobicContact CG2-CG1 3.82Å; T407-W501 PolarHBondContact O-NE1 2.75Å; T407-Y554 HydrophobicContact CG2-CD1 3.67Å; T407-Y554 HydrophobicContact CG2-CE1 3.68Å |
| 408 | Q | 92.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -96 | -12.1 | 178.2 | -63.9 | 172.4 | -87.4 | 0 | 0 | 112.6 | L320 F323 N387 L389 L404 S405 P406 | L320-Q408 PolarHBondContact O-NE2 2.89Å; L320-Q408 PolarHBondContact O-OE1 2.78Å; L320-Q408 VanDerWaalsContact O-OE1 3.13Å; F323-Q408 VanDerWaalsContact N-NE2 3.16Å; N387-Q408 PolarHBondContact ND2-O 2.51Å; N387-Q408 VanDerWaalsContact ND2-O 3.12Å; L389-Q408 HydrophobicContact CD1-CB 4.39Å; L404-Q408 HydrophobicContact CB-CB 4.5Å; S405-Q408 PolarHBondContact O-N 2.99Å; P406-Q408 VanDerWaalsContact C-N 3.27Å; P406-Q408 PolarHBondContact O-N 3.1Å |
| 409 | L | 93.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.016 | 8% | 0.08 | C | C | . | . | trans | -100.5 | 129 | -178.9 | -174.8 | 69.5 | 0 | 0 | 0 | 109.9 | L404 P406 M413 L414 L417 L426 L428 W501 I504 | L404-L409 HydrophobicContact CD1-CB 4.36Å; L404-L409 HydrophobicContact CD1-CD1 4.23Å; P406-L409 PolarHBondContact O-N 3.43Å; L409-M413 HydrophobicContact CD1-CE 4.24Å; L409-M413 HydrophobicContact CD1-CG 4.21Å; L409-M413 HydrophobicContact CD1-SD 4.04Å; L409-L414 HydrophobicContact CD1-CB 4.21Å; L409-L417 HydrophobicContact CD1-CD1 4.44Å; L409-L426 HydrophobicContact CD2-CD1 4.33Å; L409-L426 HydrophobicContact CD2-CD2 3.67Å; L409-L428 HydrophobicContact CD2-CD2 4.04Å; L409-W501 PolarHBondContact O-NE1 2.88Å; L409-I504 HydrophobicContact CD2-CD1 3.85Å; L409-I504 HydrophobicContact CG-CD1 3.98Å | ||
| 410 | T | 91.5 | Very high | 95.2 | Very high | 29 Ų | 29 | 19.4 Ų | 19.4 | 18% | 0.178 | 9% | 0.091 | C | C | . | . | trans | -110.7 | 159.2 | 170.7 | 66.8 | 0 | 0 | 0 | 0 | 110.1 | M413 L414 | T410-M413 PolarHBondContact O-N 3.02Å; T410-M413 VanDerWaalsContact OG1-CB 3.28Å; T410-M413 WeakPolarHBondContact OG1-CB 3.09Å; T410-M413 PolarHBondContact OG1-N 3.41Å; T410-L414 PolarHBondContact O-N 2.71Å | ||
| 411 | G | 92.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 5% | 0.052 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M413 L414 L415 M508 | G411-M413 VanDerWaalsContact C-N 3.33Å; G411-M413 PolarHBondContact O-N 2.59Å; G411-L414 WeakPolarHBondContact O-CB 3.28Å; G411-L414 PolarHBondContact O-N 3.13Å; G411-L415 PolarHBondContact O-N 2.7Å; G411-M508 VanDerWaalsContact CA-SD 3.56Å |
| 412 | P | 92.2 | Very high | 95 | Very high | 10 Ų | 10 | 15.8 Ų | 15.8 | 7% | 0.065 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | 173.2 | -30.8 | 39 | 0 | 0 | 0 | 113.8 | W376 L415 R416 D484 M508 | W376-P412 HydrophobicContact CH2-CB 4.13Å; W376-P412 HydrophobicContact CH2-CG 4.47Å; W376-P412 HydrophobicContact CZ2-CB 3.74Å; W376-P412 HydrophobicContact CZ2-CG 4.11Å; P412-L415 PolarHBondContact O-N 3.12Å; P412-R416 WeakPolarHBondContact O-CG 3.36Å; P412-R416 PolarHBondContact O-N 3.34Å; P412-R416 VanDerWaalsContact O-N 3.12Å; P412-D484 HydrophobicContact CB-CB 4.27Å; P412-D484 WeakPolarHBondContact CB-OD1 3.48Å; P412-D484 HydrophobicContact CG-CB 3.71Å; P412-M508 HydrophobicContact CG-CE 4.36Å |
| 413 | M | 94.4 | Very high | 95 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.015 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 176.2 | 177.9 | -174.9 | 168.6 | 0 | 0 | 111.3 | L389 L392 L404 L409 T410 G411 L417 | L389-M413 HydrophobicContact CB-CE 3.88Å; L389-M413 HydrophobicContact CB-SD 4.37Å; L389-M413 VanDerWaalsContact O-CE 3.24Å; L389-M413 WeakPolarHBondContact O-CE 3.22Å; L392-M413 HydrophobicContact CB-CE 4.42Å; L392-M413 HydrophobicContact CD1-CE 3.58Å; L392-M413 HydrophobicContact CG-CE 4.12Å; L404-M413 HydrophobicContact CD1-CE 3.79Å; L409-M413 HydrophobicContact CD1-CE 4.24Å; L409-M413 HydrophobicContact CD1-CG 4.21Å; L409-M413 HydrophobicContact CD1-SD 4.04Å; T410-M413 PolarHBondContact O-N 3.02Å; T410-M413 VanDerWaalsContact OG1-CB 3.28Å; T410-M413 WeakPolarHBondContact OG1-CB 3.09Å; T410-M413 PolarHBondContact OG1-N 3.41Å; G411-M413 VanDerWaalsContact C-N 3.33Å; G411-M413 PolarHBondContact O-N 2.59Å; M413-L417 HydrophobicContact CE-CD1 3.93Å; M413-L417 HydrophobicContact CG-CD1 3.94Å; M413-L417 WeakPolarHBondContact O-CB 3.36Å; M413-L417 WeakPolarHBondContact O-CD1 3.49Å; M413-L417 VanDerWaalsContact O-CG 3.29Å; M413-L417 WeakPolarHBondContact O-CG 3.29Å; M413-L417 PolarHBondContact O-N 3.42Å |
| 414 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 177.3 | 175.3 | 64.3 | 0 | 0 | 0 | 111.9 | L409 T410 G411 R416 L417 L418 L426 I504 W509 A512 | L409-L414 HydrophobicContact CD1-CB 4.21Å; T410-L414 PolarHBondContact O-N 2.71Å; G411-L414 WeakPolarHBondContact O-CB 3.28Å; G411-L414 PolarHBondContact O-N 3.13Å; L414-R416 PolarHBondContact O-N 2.94Å; L414-L417 WeakPolarHBondContact O-CB 3.47Å; L414-L417 PolarHBondContact O-N 3.46Å; L414-L418 HydrophobicContact CD1-CD1 3.88Å; L414-L418 HydrophobicContact CD1-CG 4.05Å; L414-L418 HydrophobicContact CG-CD1 3.97Å; L414-L418 HydrophobicContact CG-CG 4.47Å; L414-L418 WeakPolarHBondContact O-CG 3.26Å; L414-L418 PolarHBondContact O-N 3.23Å; L414-L426 HydrophobicContact CD1-CD2 4.12Å; L414-I504 HydrophobicContact CB-CD1 4.35Å; L414-I504 HydrophobicContact CD2-CD1 3.97Å; L414-W509 HydrophobicContact CD2-CD2 4.5Å; L414-W509 HydrophobicContact CD2-CE3 3.81Å; L414-W509 HydrophobicContact CD2-CH2 3.63Å; L414-W509 HydrophobicContact CD2-CZ2 4.35Å; L414-W509 HydrophobicContact CD2-CZ3 3.31Å; L414-A512 HydrophobicContact CD2-CB 4.03Å; L414-A512 HydrophobicContact CG-CB 4.48Å |
| 415 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | -176.2 | -65.6 | 178.9 | 0 | 0 | 0 | 111.9 | L371 W376 L377 G411 P412 L418 Y419 M508 A511 A512 L515 | L371-L415 HydrophobicContact CB-CD1 4.43Å; L371-L415 HydrophobicContact CD2-CD1 3.86Å; W376-L415 HydrophobicContact CH2-CB 4.31Å; W376-L415 HydrophobicContact CH2-CD1 3.91Å; W376-L415 HydrophobicContact CZ3-CB 4.04Å; W376-L415 HydrophobicContact CZ3-CD1 3.72Å; L377-L415 HydrophobicContact CD2-CB 3.71Å; G411-L415 PolarHBondContact O-N 2.7Å; P412-L415 PolarHBondContact O-N 3.12Å; L415-L418 PolarHBondContact O-N 2.92Å; L415-Y419 WeakPolarHBondContact O-CB 3.34Å; L415-Y419 PolarHBondContact O-N 2.98Å; L415-M508 HydrophobicContact CD1-CB 4.42Å; L415-M508 HydrophobicContact CD1-CG 4.26Å; L415-A511 HydrophobicContact CD1-CB 4.21Å; L415-A511 HydrophobicContact CD2-CB 3.87Å; L415-A512 HydrophobicContact CD2-CB 3.9Å; L415-L515 HydrophobicContact CB-CD1 4.29Å; L415-L515 HydrophobicContact CD2-CD1 3.83Å |
| 416 | R | 95.5 | Very high | 95 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 173.1 | -69.8 | 179.2 | 176.6 | 129 | -3.3 | 112.2 | W376 A379 P412 L414 Y419 Q420 W481 T482 E483 D484 | W376-R416 PolarHBondContact O-NE 3.29Å; A379-R416 WeakPolarHBondContact O-CD 3.18Å; A379-R416 PolarHBondContact O-NE 3.23Å; P412-R416 WeakPolarHBondContact O-CG 3.36Å; P412-R416 PolarHBondContact O-N 3.34Å; P412-R416 VanDerWaalsContact O-N 3.12Å; L414-R416 PolarHBondContact O-N 2.94Å; R416-Y419 PolarHBondContact O-N 2.85Å; R416-Q420 VanDerWaalsContact O-CB 3.32Å; R416-Q420 WeakPolarHBondContact O-CB 3.42Å; R416-Q420 VanDerWaalsContact O-CG 3.28Å; R416-Q420 WeakPolarHBondContact O-CG 3.37Å; R416-Q420 PolarHBondContact O-N 2.78Å; R416-W481 PolarHBondContact NH2-O 3.01Å; R416-T482 PolarHBondContact NH2-O 3.04Å; R416-E483 PolarHBondContact NH2-O 3.2Å; R416-D484 IonicContact NH1-OD1 3.17Å |
| 417 | L | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 174.7 | -82.6 | 165 | 0 | 0 | 0 | 112.3 | L392 L402 L409 M413 L414 Y419 T421 L423 | L392-L417 HydrophobicContact CB-CD2 4.01Å; L402-L417 HydrophobicContact CD2-CD1 3.54Å; L402-L417 HydrophobicContact CD2-CD2 4.49Å; L409-L417 HydrophobicContact CD1-CD1 4.44Å; M413-L417 HydrophobicContact CE-CD1 3.93Å; M413-L417 HydrophobicContact CG-CD1 3.94Å; M413-L417 WeakPolarHBondContact O-CB 3.36Å; M413-L417 WeakPolarHBondContact O-CD1 3.49Å; M413-L417 VanDerWaalsContact O-CG 3.29Å; M413-L417 WeakPolarHBondContact O-CG 3.29Å; M413-L417 PolarHBondContact O-N 3.42Å; L414-L417 WeakPolarHBondContact O-CB 3.47Å; L414-L417 PolarHBondContact O-N 3.46Å; L417-Y419 VanDerWaalsContact C-N 3.34Å; L417-T421 WeakPolarHBondContact O-CB 3.26Å; L417-T421 PolarHBondContact O-N 2.86Å; L417-T421 VanDerWaalsContact O-N 3.09Å; L417-T421 PolarHBondContact O-OG1 3.3Å; L417-L423 HydrophobicContact CB-CD2 3.98Å; L417-L423 HydrophobicContact CD1-CD2 4.47Å |
| 418 | L | 97.4 | Very high | 95.7 | Very high | 11 Ų | 11 | 21.3 Ų | 21.3 | 6% | 0.058 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.5 | -32.8 | -179.5 | -65 | 173.7 | 0 | 0 | 0 | 112.5 | L414 L415 L423 A512 L515 C516 L519 | L414-L418 HydrophobicContact CD1-CD1 3.88Å; L414-L418 HydrophobicContact CD1-CG 4.05Å; L414-L418 HydrophobicContact CG-CD1 3.97Å; L414-L418 HydrophobicContact CG-CG 4.47Å; L414-L418 WeakPolarHBondContact O-CG 3.26Å; L414-L418 PolarHBondContact O-N 3.23Å; L415-L418 PolarHBondContact O-N 2.92Å; L418-L423 HydrophobicContact CD2-CB 4.41Å; L418-L423 HydrophobicContact CD2-CD2 4.1Å; L418-L423 HydrophobicContact CD2-CG 4.31Å; L418-A512 HydrophobicContact CD1-CB 3.51Å; L418-L515 HydrophobicContact CB-CB 4.34Å; L418-C516 HydrophobicContact CB-CB 4.45Å; L418-C516 HydrophobicContact CD2-CB 3.95Å; L418-L519 HydrophobicContact CD1-CD2 3.88Å; L418-L519 HydrophobicContact CD2-CD1 3.85Å; L418-L519 HydrophobicContact CD2-CD2 4.12Å; L418-L519 HydrophobicContact CD2-CG 4.48Å |
| 419 | Y | 96.4 | Very high | 95.8 | Very high | 88 Ų | 88 | 22 Ų | 22 | 35% | 0.345 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -76.8 | -41 | 178.7 | 180 | -102.1 | 0 | 0 | 0 | 112.9 | L374 L377 L415 R416 L417 L515 | L374-Y419 HydrophobicContact CD2-CD2 4.49Å; L374-Y419 HydrophobicContact CD2-CE2 3.43Å; L374-Y419 VanDerWaalsContact CD2-CE2 3.43Å; L374-Y419 WeakPolarHBondContact CD2-OH 3.08Å; L377-Y419 HydrophobicContact CB-CD1 3.55Å; L377-Y419 HydrophobicContact CB-CD2 4.07Å; L377-Y419 HydrophobicContact CB-CE1 4.04Å; L377-Y419 HydrophobicContact CB-CE2 4.5Å; L377-Y419 HydrophobicContact CB-CG 3.57Å; L377-Y419 HydrophobicContact CD1-CD2 3.85Å; L377-Y419 HydrophobicContact CD1-CE2 4.4Å; L377-Y419 HydrophobicContact CD1-CG 4.07Å; L377-Y419 HydrophobicContact CG-CG 4.35Å; L377-Y419 WeakPolarHBondContact O-CD1 3.39Å; L415-Y419 WeakPolarHBondContact O-CB 3.34Å; L415-Y419 PolarHBondContact O-N 2.98Å; R416-Y419 PolarHBondContact O-N 2.85Å; L417-Y419 VanDerWaalsContact C-N 3.34Å; Y419-L515 HydrophobicContact CD2-CD2 4.23Å |
| 420 | Q | 95.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 22.1 Ų | 22.1 | 22% | 0.224 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -95.5 | -12.7 | -171 | -58.3 | 177.6 | 1.9 | 0 | 0 | 114.1 | L377 S378 S393 C394 R416 | L377-Q420 PolarHBondContact O-NE2 2.98Å; S378-Q420 PolarHBondContact O-NE2 3.21Å; S393-Q420 VanDerWaalsContact CB-OE1 3.24Å; S393-Q420 PolarHBondContact OG-OE1 3.37Å; C394-Q420 PolarHBondContact SG-OE1 3.37Å; R416-Q420 VanDerWaalsContact O-CB 3.32Å; R416-Q420 WeakPolarHBondContact O-CB 3.42Å; R416-Q420 VanDerWaalsContact O-CG 3.28Å; R416-Q420 WeakPolarHBondContact O-CG 3.37Å; R416-Q420 PolarHBondContact O-N 2.78Å |
| 421 | T | 96.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 21.7 Ų | 21.7 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -128.5 | 176.2 | -176.6 | 78.9 | 0 | 0 | 0 | 0 | 111.8 | L417 L423 | L417-T421 WeakPolarHBondContact O-CB 3.26Å; L417-T421 PolarHBondContact O-N 2.86Å; L417-T421 VanDerWaalsContact O-N 3.09Å; L417-T421 PolarHBondContact O-OG1 3.3Å; T421-L423 VanDerWaalsContact C-N 3.26Å; T421-L423 PolarHBondContact O-N 3.22Å; T421-L423 WeakPolarHBondContact OG1-CB 3.32Å; T421-L423 PolarHBondContact OG1-N 3.47Å |
| 422 | S | 95.6 | Very high | 95.2 | Very high | 83 Ų | 83 | 22.3 Ų | 22.3 | 58% | 0.58 | 12% | 0.117 | S | C | * | . | trans | -93.5 | 24.8 | 174.2 | -61 | 0 | 0 | 0 | 0 | 112.8 | I399 H424 | I399-S422 CarbonylContact O-C 3.59Å; I399-S422 PolarHBondContact O-N 2.91Å; S422-H424 PolarHBondContact O-N 3.45Å; S422-H424 PolarHBondContact O-ND1 3.19Å | ||
| 423 | L | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | trans | -58.8 | 118.4 | 177.8 | -179.8 | 72.2 | 0 | 0 | 0 | 109.8 | I399 L402 L417 L418 T421 Q425 | I399-L423 HydrophobicContact CG2-CD1 3.83Å; I399-L423 PolarHBondContact O-N 2.97Å; I399-L423 VanDerWaalsContact O-N 3.16Å; L402-L423 HydrophobicContact CB-CD1 3.59Å; L402-L423 HydrophobicContact CB-CD2 4.47Å; L402-L423 HydrophobicContact CD2-CD2 4.43Å; L417-L423 HydrophobicContact CB-CD2 3.98Å; L417-L423 HydrophobicContact CD1-CD2 4.47Å; L418-L423 HydrophobicContact CD2-CB 4.41Å; L418-L423 HydrophobicContact CD2-CD2 4.1Å; L418-L423 HydrophobicContact CD2-CG 4.31Å; T421-L423 VanDerWaalsContact C-N 3.26Å; T421-L423 PolarHBondContact O-N 3.22Å; T421-L423 WeakPolarHBondContact OG1-CB 3.32Å; T421-L423 PolarHBondContact OG1-N 3.47Å; L423-Q425 WeakPolarHBondContact CD1-O 3.27Å | ||
| 424 | H | 96 | Very high | 94.5 | Very high | 77 Ų | 77 | 22.9 Ų | 22.9 | 36% | 0.356 | 12% | 0.12 | S | C | . | . | trans | -130.2 | -6.4 | 172.7 | 64.8 | -93 | 0 | 0 | 0 | 112.7 | I400 S422 L519 T520 | I400-H424 WeakPolarHBondContact CG2-CE1 3.03Å; I400-H424 WeakPolarHBondContact CG2-ND1 3.14Å; I400-H424 PolarHBondContact O-N 3.37Å; S422-H424 PolarHBondContact O-N 3.45Å; S422-H424 PolarHBondContact O-ND1 3.19Å; H424-L519 CarbonylContact O-C 3.57Å; H424-L519 WeakPolarHBondContact O-CA 3.32Å; H424-T520 PolarHBondContact O-N 3.28Å; H424-T520 PolarHBondContact O-OG1 3.26Å | ||
| 425 | Q | 97.5 | Very high | 93.6 | Very high | 41 Ų | 41 | 24.7 Ų | 24.7 | 19% | 0.192 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 114.1 | 177.7 | -172.1 | 176.9 | -0.9 | 0 | 0 | 110.3 | I400 R401 L402 L423 H522 | I400-Q425 PolarHBondContact O-N 3.14Å; R401-Q425 WeakPolarHBondContact CA-O 3.26Å; R401-Q425 HydrophobicContact CG-CB 4.12Å; L402-Q425 PolarHBondContact N-O 3.36Å; L423-Q425 WeakPolarHBondContact CD1-O 3.27Å; Q425-H522 WeakPolarHBondContact CG-NE2 3.43Å; Q425-H522 PolarHBondContact NE2-CD2 2.86Å; Q425-H522 PolarHBondContact NE2-NE2 3.4Å |
| 426 | L | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.5 | 177 | 176.4 | 66.5 | 0 | 0 | 0 | 109.6 | L402 L409 L414 L428 W509 L519 T520 I521 H522 | L402-L426 HydrophobicContact CB-CD1 4.28Å; L402-L426 HydrophobicContact CD2-CD1 4.3Å; L402-L426 HydrophobicContact CG-CD1 4.28Å; L402-L426 CarbonylContact O-C 3.56Å; L402-L426 WeakPolarHBondContact O-CA 3.27Å; L409-L426 HydrophobicContact CD2-CD1 4.33Å; L409-L426 HydrophobicContact CD2-CD2 3.67Å; L414-L426 HydrophobicContact CD1-CD2 4.12Å; L426-L428 HydrophobicContact CD1-CD2 4.13Å; L426-L428 HydrophobicContact CD2-CD2 4.23Å; L426-L428 HydrophobicContact CD2-CG 4.36Å; L426-L428 HydrophobicContact CG-CD2 4.11Å; L426-L428 HydrophobicContact CG-CG 4.24Å; L426-W509 HydrophobicContact CD2-CH2 4.36Å; L426-L519 HydrophobicContact CB-CD1 4.38Å; L426-T520 PolarHBondContact N-O 2.82Å; L426-I521 HydrophobicContact CB-CG1 4.44Å; L426-I521 HydrophobicContact CD2-CG1 4.42Å; L426-I521 CarbonylContact O-C 3.5Å; L426-I521 VanDerWaalsContact O-CA 3.27Å; L426-I521 WeakPolarHBondContact O-CA 3.46Å; L426-H522 PolarHBondContact O-N 2.83Å |
| 427 | S | 97.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 15% | 0.154 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.6 | 174.6 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | L402 T403 L404 H522 | L402-S427 PolarHBondContact O-N 2.93Å; T403-S427 VanDerWaalsContact CA-O 3.28Å; T403-S427 WeakPolarHBondContact CA-O 3.43Å; L404-S427 PolarHBondContact N-O 3.37Å; S427-H522 CarbonylContact C-O 3.56Å; S427-H522 WeakPolarHBondContact CA-O 3.41Å |
| 428 | L | 97.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 110.6 | 177.7 | -62.1 | 179.2 | 0 | 0 | 0 | 108.6 | L404 P406 L409 L426 I521 H522 L523 K524 P556 | L404-L428 WeakPolarHBondContact O-CA 3.15Å; P406-L428 HydrophobicContact CG-CB 4.24Å; L409-L428 HydrophobicContact CD2-CD2 4.04Å; L426-L428 HydrophobicContact CD1-CD2 4.13Å; L426-L428 HydrophobicContact CD2-CD2 4.23Å; L426-L428 HydrophobicContact CD2-CG 4.36Å; L426-L428 HydrophobicContact CG-CD2 4.11Å; L426-L428 HydrophobicContact CG-CG 4.24Å; L428-I521 HydrophobicContact CD1-CG2 4.22Å; L428-I521 HydrophobicContact CG-CG2 4.48Å; L428-H522 PolarHBondContact N-O 3.02Å; L428-L523 HydrophobicContact CB-CD1 4.2Å; L428-K524 PolarHBondContact O-N 3.29Å; L428-P556 HydrophobicContact CD1-CG 3.55Å |
| 429 | I | 95.8 | Very high | 88.9 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 8% | 0.082 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 113.9 | -176.9 | -52.6 | -169.4 | 0 | 0 | 0 | 109.5 | V321 T403 L404 S405 P406 T431 K524 | V321-I429 HydrophobicContact CG1-CB 4.29Å; V321-I429 HydrophobicContact CG2-CB 3.96Å; V321-I429 HydrophobicContact CG2-CD1 4.13Å; V321-I429 HydrophobicContact CG2-CG1 4.16Å; T403-I429 HydrophobicContact CG2-CD1 3.46Å; T403-I429 VanDerWaalsContact CG2-CD1 3.46Å; T403-I429 HydrophobicContact CG2-CG1 3.7Å; L404-I429 PolarHBondContact O-N 3.03Å; S405-I429 WeakPolarHBondContact CA-O 2.91Å; P406-I429 VanDerWaalsContact CD-O 3.29Å; P406-I429 WeakPolarHBondContact CD-O 3.11Å; I429-T431 HydrophobicContact CG2-CG2 3.88Å; I429-K524 CarbonylContact C-O 3.6Å; I429-K524 WeakPolarHBondContact CA-O 3.31Å; I429-K524 HydrophobicContact CD1-CD 4.23Å; I429-K524 HydrophobicContact CG1-CB 4.13Å; I429-K524 HydrophobicContact CG1-CD 4.47Å; I429-K524 HydrophobicContact CG2-CB 4.47Å |
| 430 | Q | 93.4 | Very high | 86.8 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130 | 172.3 | -178.7 | -179.5 | -9.6 | 0 | 0 | 109.3 | P406 T434 K524 L525 E526 V551 | P406-Q430 HydrophobicContact CG-CB 4.3Å; Q430-T434 WeakPolarHBondContact CA-OG1 3.45Å; Q430-T434 HydrophobicContact CG-CG2 4.26Å; Q430-K524 PolarHBondContact N-O 2.82Å; Q430-L525 HydrophobicContact CB-CD1 3.68Å; Q430-L525 HydrophobicContact CG-CD1 3.52Å; Q430-L525 CarbonylContact O-C 3.23Å; Q430-L525 WeakPolarHBondContact O-CA 3.34Å; Q430-E526 PolarHBondContact O-N 2.79Å; Q430-V551 PolarHBondContact NE2-O 2.79Å; Q430-V551 PolarHBondContact OE1-O 3.48Å |
| 431 | T | 90.1 | Very high | 84.4 | Confident | 20 Ų | 20 | 33.8 Ų | 33.8 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 178.5 | 174.9 | 83.5 | 0 | 0 | 0 | 0 | 111 | H322 I429 L433 T434 E526 | H322-T431 PolarHBondContact CE1-OG1 2.72Å; I429-T431 HydrophobicContact CG2-CG2 3.88Å; T431-L433 PolarHBondContact O-N 2.84Å; T431-L433 VanDerWaalsContact O-N 3.1Å; T431-L433 PolarHBondContact OG1-N 3.31Å; T431-T434 PolarHBondContact N-OG1 3.27Å; T431-T434 VanDerWaalsContact O-CB 3.29Å; T431-T434 WeakPolarHBondContact O-CB 3.18Å; T431-T434 PolarHBondContact O-N 3.37Å; T431-T434 PolarHBondContact O-OG1 3.43Å; T431-E526 WeakPolarHBondContact CA-O 3.49Å; T431-E526 WeakPolarHBondContact CB-O 3.46Å; T431-E526 HydrophobicContact CG2-CB 4.2Å |
| 432 | D | 82.6 | Confident | 81.7 | Confident | 18 Ų | 18 | 42 Ų | 42 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -55.3 | -26.1 | 172.2 | -58 | -43 | 0 | 0 | 0 | 112.5 | L527 V528 E529 | D432-L527 VanDerWaalsContact OD1-CD2 3.26Å; D432-L527 WeakPolarHBondContact OD1-CD2 3.06Å; D432-V528 PolarHBondContact OD2-N 2.84Å; D432-E529 PolarHBondContact OD2-N 3.39Å |
| 433 | L | 84.8 | Confident | 78.7 | Confident | 24 Ų | 24 | 44.4 Ų | 44.4 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -83.3 | -14.2 | -179.5 | -56.9 | 179.3 | 0 | 0 | 0 | 113.6 | V257 D292 F294 T431 V435 F436 | V257-L433 HydrophobicContact CG2-CD2 3.37Å; D292-L433 HydrophobicContact CB-CD1 4.36Å; F294-L433 HydrophobicContact CE2-CB 4.02Å; F294-L433 HydrophobicContact CE2-CD1 4.03Å; F294-L433 HydrophobicContact CZ-CB 3.76Å; T431-L433 PolarHBondContact O-N 2.84Å; T431-L433 VanDerWaalsContact O-N 3.1Å; T431-L433 PolarHBondContact OG1-N 3.31Å; L433-V435 PolarHBondContact O-N 2.77Å; L433-V435 VanDerWaalsContact O-N 3.14Å; L433-F436 HydrophobicContact CB-CD2 4.39Å; L433-F436 HydrophobicContact CD2-CD2 4.11Å; L433-F436 HydrophobicContact CD2-CE2 4.07Å; L433-F436 WeakPolarHBondContact O-CD2 3.21Å; L433-F436 PolarHBondContact O-N 3.38Å |
| 434 | T | 86.5 | Confident | 75.6 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -61.1 | -26.3 | -176.4 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | H322 S405 T407 Q430 T431 F436 T437 | H322-T434 WeakPolarHBondContact NE2-CA 3.49Å; H322-T434 PolarHBondContact NE2-OG1 3.14Å; S405-T434 WeakPolarHBondContact OG-CG2 3.41Å; T407-T434 HydrophobicContact CG2-CG2 3.62Å; Q430-T434 WeakPolarHBondContact CA-OG1 3.45Å; Q430-T434 HydrophobicContact CG-CG2 4.26Å; T431-T434 PolarHBondContact N-OG1 3.27Å; T431-T434 VanDerWaalsContact O-CB 3.29Å; T431-T434 WeakPolarHBondContact O-CB 3.18Å; T431-T434 PolarHBondContact O-N 3.37Å; T431-T434 PolarHBondContact O-OG1 3.43Å; T434-F436 PolarHBondContact O-N 3.28Å; T434-T437 PolarHBondContact O-N 3.04Å; T434-T437 PolarHBondContact O-OG1 3.27Å |
| 435 | V | 77.6 | Confident | 72.4 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -66.8 | -23.4 | 176.8 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | L433 L534 | L433-V435 PolarHBondContact O-N 2.77Å; L433-V435 VanDerWaalsContact O-N 3.14Å; V435-L534 HydrophobicContact CG1-CD2 3.9Å |
| 436 | F | 77.9 | Confident | 69 | Low | 45 Ų | 45 | 54.1 Ų | 54.1 | 20% | 0.197 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -86.1 | -6.5 | -175.2 | -58.2 | -69.7 | 0 | 0 | 0 | 114.1 | V257 V264 F294 L433 T434 | V257-F436 HydrophobicContact CG1-CE1 4.22Å; V257-F436 HydrophobicContact CG1-CE2 3.81Å; V257-F436 HydrophobicContact CG1-CZ 3.49Å; V257-F436 VanDerWaalsContact CG1-CZ 3.49Å; V257-F436 HydrophobicContact CG2-CE2 4.3Å; V264-F436 HydrophobicContact CB-CB 4.04Å; V264-F436 HydrophobicContact CB-CD2 4.29Å; V264-F436 HydrophobicContact CB-CG 4.06Å; V264-F436 HydrophobicContact CG1-CB 3.59Å; V264-F436 HydrophobicContact CG1-CG 4.17Å; F294-F436 HydrophobicContact CE1-CB 4.06Å; F294-F436 HydrophobicContact CZ-CB 4.45Å; L433-F436 HydrophobicContact CB-CD2 4.39Å; L433-F436 HydrophobicContact CD2-CD2 4.11Å; L433-F436 HydrophobicContact CD2-CE2 4.07Å; L433-F436 WeakPolarHBondContact O-CD2 3.21Å; L433-F436 PolarHBondContact O-N 3.38Å; T434-F436 PolarHBondContact O-N 3.28Å |
| 437 | T | 76.1 | Confident | 65.9 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.043 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -79.2 | -23.3 | 174.7 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | F294 S326 T407 T434 | F294-T437 HydrophobicContact CE1-CG2 3.71Å; F294-T437 HydrophobicContact CZ-CG2 4.41Å; S326-T437 WeakPolarHBondContact CB-O 3.21Å; S326-T437 PolarHBondContact N-O 3.38Å; T407-T437 WeakPolarHBondContact CB-OG1 3.48Å; T407-T437 WeakPolarHBondContact OG1-CB 3.5Å; T407-T437 PolarHBondContact OG1-OG1 3.44Å; T434-T437 PolarHBondContact O-N 3.04Å; T434-T437 PolarHBondContact O-OG1 3.27Å |
| 438 | I | 72.1 | Confident | 62.5 | Low | 42 Ų | 42 | 66.4 Ų | 66.4 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -95.6 | 137.9 | -179.3 | -59.5 | 178.7 | 0 | 0 | 0 | 110 | T407 W501 Y554 | T407-I438 HydrophobicContact CG2-CD1 3.58Å; T407-I438 HydrophobicContact CG2-CG1 3.82Å; I438-W501 HydrophobicContact CD1-CD2 4.33Å; I438-W501 HydrophobicContact CD1-CE3 3.64Å; I438-W501 HydrophobicContact CD1-CZ3 4.22Å; I438-W501 HydrophobicContact CG1-CB 4.5Å; I438-Y554 HydrophobicContact CD1-CE1 3.58Å |
| 439 | P | 62.3 | Low | 59.3 | Low | 33 Ų | 33 | 70.3 Ų | 70.3 | 21% | 0.214 | 37% | 0.371 | C | S | . | . | trans | -62.3 | 148.2 | 175.6 | 30.5 | -41.1 | 0 | 0 | 0 | 112.8 | V328 S441 | V328-P439 HydrophobicContact CB-CB 3.4Å; V328-P439 HydrophobicContact CB-CG 4.06Å; V328-P439 HydrophobicContact CG1-CB 4.01Å; V328-P439 HydrophobicContact CG2-CB 3.32Å; V328-P439 HydrophobicContact CG2-CG 3.36Å; P439-S441 PolarHBondContact O-N 3.37Å | ||
| 440 | R | 52.3 | Low | 56.1 | Low | 139 Ų | 139 | 75.6 Ų | 75.6 | 53% | 0.525 | 40% | 0.404 | S | S | . | . | trans | -71.9 | 113.2 | 172.5 | -65 | -172.3 | 171.3 | 161.9 | -1.7 | 109.6 | R261 G262 | R261-R440 PolarHBondContact O-NH1 3.06Å; R261-R440 PolarHBondContact O-NH2 2.81Å; G262-R440 PolarHBondContact O-NH2 3.31Å | ||
| 441 | S | 44.3 | Very low | 53.1 | Low | 75 Ų | 75 | 79.4 Ų | 79.4 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | trans | -80.4 | 128.6 | 156 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | P439 N443 | P439-S441 PolarHBondContact O-N 3.37Å; S441-N443 PolarHBondContact O-N 3.49Å; S441-N443 VanDerWaalsContact OG-C 3.24Å; S441-N443 PolarHBondContact OG-N 3.08Å; S441-N443 PolarHBondContact OG-O 3.4Å | ||
| 442 | E | 39 | Very low | 50.2 | Low | 189 Ų | 189 | 82.2 Ų | 82.2 | 88% | 0.883 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -63.1 | -21.3 | 170.2 | -71.9 | -174.5 | 159.9 | 0 | 0 | 111.7 | ||
| 443 | N | 32.6 | Very low | 47.9 | Very low | 133 Ų | 133 | 91.1 Ų | 91.1 | 71% | 0.711 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -134.6 | 92.8 | 176.8 | -67.6 | -46 | 0 | 0 | 0 | 109.4 | S441 | S441-N443 PolarHBondContact O-N 3.49Å; S441-N443 VanDerWaalsContact OG-C 3.24Å; S441-N443 PolarHBondContact OG-N 3.08Å; S441-N443 PolarHBondContact OG-O 3.4Å |
| 444 | P | 33.8 | Very low | 45.4 | Very low | 99 Ų | 99 | 94.1 Ų | 94.1 | 64% | 0.643 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 127.7 | 168.1 | 25.5 | -30.3 | 0 | 0 | 0 | 108 | ||
| 445 | P | 28.1 | Very low | 42.8 | Very low | 103 Ų | 103 | 98.3 Ų | 98.3 | 67% | 0.669 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 143.9 | 175.9 | 24.9 | -32 | 0 | 0 | 0 | 109.1 | I447 | P445-I447 PolarHBondContact O-N 3.35Š|
| 446 | P | 27 | Very low | 40.7 | Very low | 120 Ų | 120 | 104 Ų | 104 | 78% | 0.779 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 119.1 | 177.9 | 21.5 | -30.4 | 0 | 0 | 0 | 109.4 | Q448 | P446-Q448 VanDerWaalsContact C-N 3.28Å; P446-Q448 PolarHBondContact O-N 3.41Å |
| 447 | I | 32.4 | Very low | 38.5 | Very low | 106 Ų | 106 | 108.2 Ų | 108.2 | 54% | 0.544 | 58% | 0.577 | S | S | . | * | trans | -73.1 | 82 | -175.5 | -54.8 | 167.7 | 0 | 0 | 0 | 108.1 | P445 R449 | P445-I447 PolarHBondContact O-N 3.35Å; I447-R449 HydrophobicContact CG2-CG 4.33Å; I447-R449 PolarHBondContact O-N 3.2Å | ||
| 448 | Q | 25.9 | Very low | 36.3 | Very low | 175 Ų | 175 | 114.7 Ų | 114.7 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -86.1 | 91.4 | 163.5 | -77.4 | -176.4 | -12.3 | 0 | 0 | 108.1 | P446 T450 | P446-Q448 VanDerWaalsContact C-N 3.28Å; P446-Q448 PolarHBondContact O-N 3.41Å; Q448-T450 VanDerWaalsContact C-N 3.34Å; Q448-T450 PolarHBondContact O-N 2.85Å | ||
| 449 | R | 30.9 | Very low | 34.2 | Very low | 87 Ų | 87 | 119.7 Ų | 119.7 | 33% | 0.328 | 64% | 0.638 | S | S | . | * | trans | -77.1 | 90.8 | 160 | -83.9 | -173.2 | 177.5 | 176 | -2.8 | 107.7 | I447 I451 L552 Y553 | I447-R449 HydrophobicContact CG2-CG 4.33Å; I447-R449 PolarHBondContact O-N 3.2Å; R449-I451 PolarHBondContact O-N 3.09Å; R449-L552 PolarHBondContact NH1-O 3.32Å; R449-L552 PolarHBondContact NH2-O 3.48Å; R449-Y553 VanDerWaalsContact NH2-CA 3.34Å; R449-Y553 PolarHBondContact NH2-O 3.29Å | ||
| 450 | T | 27.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | trans | -76.8 | 103.3 | 151.1 | -4.1 | 0 | 0 | 0 | 0 | 105.5 | Q448 S452 | Q448-T450 VanDerWaalsContact C-N 3.34Å; Q448-T450 PolarHBondContact O-N 2.85Å; T450-S452 VanDerWaalsContact C-N 3.27Å; T450-S452 PolarHBondContact O-N 3.04Å | ||
| 451 | I | 31.2 | Very low | 31.4 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 44% | 0.436 | 68% | 0.68 | S | S | . | * | trans | -64.3 | 102.1 | 159.2 | -60.5 | 171.2 | 0 | 0 | 0 | 103.7 | R449 Y453 A585 | R449-I451 PolarHBondContact O-N 3.09Å; I451-Y453 VanDerWaalsContact C-N 3.33Å; I451-Y453 PolarHBondContact O-N 2.83Å; I451-A585 HydrophobicContact CD1-CB 3.85Å; I451-A585 WeakPolarHBondContact CD1-O 3.19Å | ||
| 452 | S | 29.1 | Very low | 30.8 | Very low | 79 Ų | 79 | 129.4 Ų | 129.4 | 55% | 0.552 | 70% | 0.695 | S | S | * | * | trans | -64.1 | 107.5 | 161.9 | 62.2 | 0 | 0 | 0 | 0 | 105.2 | T450 D454 | T450-S452 VanDerWaalsContact C-N 3.27Å; T450-S452 PolarHBondContact O-N 3.04Å; S452-D454 VanDerWaalsContact CB-OD1 3.29Å; S452-D454 WeakPolarHBondContact CB-OD1 3.31Å; S452-D454 PolarHBondContact O-N 3.01Å; S452-D454 PolarHBondContact OG-OD1 3.08Å | ||
| 453 | Y | 33.6 | Very low | 30.3 | Very low | 205 Ų | 205 | 128.1 Ų | 128.1 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -63.7 | 93.6 | 147.2 | -69.3 | -83.4 | 0 | 0 | 0 | 103.2 | I451 S455 | I451-Y453 VanDerWaalsContact C-N 3.33Å; I451-Y453 PolarHBondContact O-N 2.83Å; Y453-S455 PolarHBondContact O-N 3.44Å | ||
| 454 | D | 33.8 | Very low | 30.2 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 47% | 0.471 | 70% | 0.698 | S | S | . | * | trans | -59.7 | 93.8 | 171.3 | -72.8 | -16.5 | 0 | 0 | 0 | 106.2 | S452 R510 | S452-D454 VanDerWaalsContact CB-OD1 3.29Å; S452-D454 WeakPolarHBondContact CB-OD1 3.31Å; S452-D454 PolarHBondContact O-N 3.01Å; S452-D454 PolarHBondContact OG-OD1 3.08Å; D454-R510 IonicContact OD2-NH2 3.39Å; D454-R510 PolarHBondContact OD2-NH2 3.49Å | ||
| 455 | S | 31.4 | Very low | 30.2 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | trans | -52.9 | 135.1 | 130.6 | 46.7 | 0 | 0 | 0 | 0 | 106.7 | Y453 D457 | Y453-S455 PolarHBondContact O-N 3.44Å; S455-D457 PolarHBondContact O-N 3.47Å | ||
| 456 | D | 34.2 | Very low | 30.8 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -57.2 | 25.3 | -171.6 | -70.8 | -46.6 | 0 | 0 | 0 | 117.1 | ||
| 457 | D | 30.2 | Very low | 31.6 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | trans | -113 | 88 | -173.4 | -66.1 | -35.6 | 0 | 0 | 0 | 111 | S455 N459 | S455-D457 PolarHBondContact O-N 3.47Å; D457-N459 PolarHBondContact O-N 3.13Å | ||
| 458 | L | 30.1 | Very low | 32.4 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | -63 | 104.7 | 164.3 | -69.2 | 165.4 | 0 | 0 | 0 | 109.1 | ||||
| 459 | N | 28.7 | Very low | 33.9 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | trans | -151.5 | 95.2 | 174.9 | -145.9 | 11.1 | 0 | 0 | 0 | 110.9 | D457 | D457-N459 PolarHBondContact O-N 3.13Š| ||
| 460 | M | 30 | Very low | 35.1 | Very low | 192 Ų | 192 | 124 Ų | 124 | 95% | 0.946 | 67% | 0.666 | S | S | * | * | trans | -152.7 | 136.9 | 163.1 | -83.8 | -54.5 | 176.3 | 0 | 0 | 110.4 | ||||
| 461 | G | 26.5 | Very low | 36.4 | Very low | 66 Ų | 66 | 122.3 Ų | 122.3 | 68% | 0.68 | 66% | 0.659 | S | S | * | * | trans | -91.8 | 155.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 462 | F | 30.6 | Very low | 38 | Very low | 193 Ų | 193 | 121.6 Ų | 121.6 | 85% | 0.846 | 66% | 0.656 | S | S | * | * | trans | -141.1 | 155.7 | 165.4 | -95.2 | -81.3 | 0 | 0 | 0 | 110.9 | ||||
| 463 | N | 27.9 | Very low | 39.6 | Very low | 162 Ų | 162 | 122.2 Ų | 122.2 | 87% | 0.866 | 66% | 0.661 | S | S | * | * | trans | -69.1 | 144.8 | -172.7 | -77.4 | -27.1 | 0 | 0 | 0 | 113.3 | D465 | N463-D465 PolarHBondContact O-N 2.96Š| ||
| 464 | E | 30.9 | Very low | 41 | Very low | 166 Ų | 166 | 116.2 Ų | 116.2 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -51.7 | 124.2 | 176.8 | -60.6 | 177 | 147.8 | 0 | 0 | 112.3 | ||||
| 465 | D | 34.6 | Very low | 42.5 | Very low | 146 Ų | 146 | 114.6 Ų | 114.6 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | -169.4 | 111.4 | 125.3 | -93 | -30.7 | 0 | 0 | 0 | 110.5 | N463 | N463-D465 PolarHBondContact O-N 2.96Š| |||
| 466 | Q | 39.8 | Very low | 44.2 | Very low | 151 Ų | 151 | 112.2 Ų | 112.2 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | trans | 68.2 | 103 | 161.5 | -58.5 | 178.8 | 29.1 | 0 | 0 | 117.8 | F468 Y491 | Q466-F468 PolarHBondContact O-N 3.2Å; Q466-F468 VanDerWaalsContact O-N 3.16Å; Q466-Y491 PolarHBondContact OE1-OH 3.43Å | ||
| 467 | S | 44.1 | Very low | 46 | Very low | 112 Ų | 112 | 111.7 Ų | 111.7 | 78% | 0.783 | 62% | 0.616 | S | S | * | * | trans | -41.2 | 108.1 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 468 | F | 49.8 | Very low | 48.2 | Very low | 56 Ų | 56 | 107.3 Ų | 107.3 | 25% | 0.246 | 59% | 0.593 | C | S | . | * | trans | -79.6 | 110.2 | 164.4 | 173.2 | -108.5 | 0 | 0 | 0 | 109 | F365 W369 Q466 P470 I479 I488 | F365-F468 WeakPolarHBondContact CE1-O 3.33Å; F365-F468 WeakPolarHBondContact CE2-O 3.42Å; F365-F468 VanDerWaalsContact CZ-O 3.24Å; F365-F468 WeakPolarHBondContact CZ-O 3.24Å; W369-F468 HydrophobicContact CD2-CE1 4.35Å; W369-F468 AromaticContact CE2-CE1 3.66Å; W369-F468 HydrophobicContact CH2-CE1 4.19Å; W369-F468 AromaticContact CH2-CZ 3.99Å; W369-F468 HydrophobicContact CH2-CZ 3.99Å; W369-F468 AromaticContact CZ2-CE1 3.57Å; W369-F468 HydrophobicContact CZ2-CE1 3.57Å; W369-F468 AromaticContact CZ2-CZ 3.66Å; W369-F468 HydrophobicContact CZ2-CZ 3.66Å; W369-F468 AromaticContact NE1-CE1 3.92Å; Q466-F468 PolarHBondContact O-N 3.2Å; Q466-F468 VanDerWaalsContact O-N 3.16Å; F468-P470 HydrophobicContact CD1-CB 4.46Å; F468-P470 HydrophobicContact CD1-CG 4.45Å; F468-P470 HydrophobicContact CE1-CB 3.63Å; F468-P470 HydrophobicContact CE1-CG 4Å; F468-P470 HydrophobicContact CZ-CB 3.84Å; F468-P470 WeakPolarHBondContact O-CD 3.43Å; F468-I479 HydrophobicContact CE2-CD1 4.04Å; F468-I479 HydrophobicContact CE2-CG1 4.38Å; F468-I479 HydrophobicContact CZ-CD1 3.85Å; F468-I488 HydrophobicContact CD2-CD1 3.31Å; F468-I488 HydrophobicContact CD2-CG1 4.16Å; F468-I488 HydrophobicContact CE2-CD1 3.5Å; F468-I488 HydrophobicContact CE2-CG1 3.86Å | ||
| 469 | D | 57 | Low | 50.7 | Low | 77 Ų | 77 | 100.9 Ų | 100.9 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | trans | -99.3 | 106 | 165.9 | -172.9 | -11.6 | 0 | 0 | 0 | 108.7 | F365 S471 D472 | F365-D469 HydrophobicContact CZ-CB 4.47Å; D469-S471 PolarHBondContact O-N 3.27Å; D469-S471 VanDerWaalsContact OD1-CB 3.28Å; D469-S471 WeakPolarHBondContact OD1-CB 3.43Å; D469-S471 PolarHBondContact OD1-N 3.19Å; D469-S471 PolarHBondContact OD1-OG 3.04Å; D469-S471 PolarHBondContact OD2-OG 2.92Å; D469-S471 VanDerWaalsContact OD2-OG 3.07Å; D469-D472 PolarHBondContact O-N 3.21Å | ||
| 470 | P | 55.2 | Low | 53.3 | Low | 29 Ų | 29 | 94.7 Ų | 94.7 | 19% | 0.188 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -11.5 | 178.5 | 22.7 | -29.7 | 0 | 0 | 0 | 113.4 | W369 F468 L476 | W369-P470 HydrophobicContact CD2-CB 4.44Å; W369-P470 HydrophobicContact CE3-CB 4.02Å; W369-P470 HydrophobicContact CE3-CG 4.45Å; W369-P470 HydrophobicContact CH2-CB 4.47Å; W369-P470 HydrophobicContact CZ3-CB 4.03Å; F468-P470 HydrophobicContact CD1-CB 4.46Å; F468-P470 HydrophobicContact CD1-CG 4.45Å; F468-P470 HydrophobicContact CE1-CB 3.63Å; F468-P470 HydrophobicContact CE1-CG 4Å; F468-P470 HydrophobicContact CZ-CB 3.84Å; F468-P470 WeakPolarHBondContact O-CD 3.43Å; P470-L476 VanDerWaalsContact O-CD2 3.27Å; P470-L476 WeakPolarHBondContact O-CD2 3.44Å |
| 471 | S | 56.8 | Low | 56 | Low | 91 Ų | 91 | 87.3 Ų | 87.3 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -10.2 | 175.2 | 76.7 | 0 | 0 | 0 | 0 | 114 | D469 S473 | D469-S471 PolarHBondContact O-N 3.27Å; D469-S471 VanDerWaalsContact OD1-CB 3.28Å; D469-S471 WeakPolarHBondContact OD1-CB 3.43Å; D469-S471 PolarHBondContact OD1-N 3.19Å; D469-S471 PolarHBondContact OD1-OG 3.04Å; D469-S471 PolarHBondContact OD2-OG 2.92Å; D469-S471 VanDerWaalsContact OD2-OG 3.07Å; S471-S473 PolarHBondContact O-N 2.75Å |
| 472 | D | 63.9 | Low | 58.8 | Low | 71 Ų | 71 | 85.3 Ų | 85.3 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | trans | -69.6 | 100.6 | 174.5 | -171.9 | -12 | 0 | 0 | 0 | 110.3 | D469 S474 M475 L476 | D469-D472 PolarHBondContact O-N 3.21Å; D472-S474 VanDerWaalsContact CG-OG 3.24Å; D472-S474 PolarHBondContact O-N 2.71Å; D472-S474 WeakPolarHBondContact OD1-CB 3.35Å; D472-S474 PolarHBondContact OD1-N 2.89Å; D472-S474 PolarHBondContact OD1-OG 3.46Å; D472-S474 PolarHBondContact OD2-OG 2.71Å; D472-M475 HydrophobicContact CB-CB 4.4Å; D472-M475 HydrophobicContact CB-CG 4.27Å; D472-M475 PolarHBondContact O-N 3.48Å; D472-L476 PolarHBondContact O-N 3.1Å | ||
| 473 | S | 61.7 | Low | 61.4 | Low | 92 Ų | 92 | 77.8 Ų | 77.8 | 64% | 0.643 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -52.3 | -28 | 179.4 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | S471 M475 | S471-S473 PolarHBondContact O-N 2.75Å; S473-M475 VanDerWaalsContact C-N 3.3Å; S473-M475 PolarHBondContact O-N 2.99Å |
| 474 | S | 65.1 | Low | 64 | Low | 78 Ų | 78 | 72.3 Ų | 72.3 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -74.4 | -22.4 | -179.2 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | D472 | D472-S474 VanDerWaalsContact CG-OG 3.24Å; D472-S474 PolarHBondContact O-N 2.71Å; D472-S474 WeakPolarHBondContact OD1-CB 3.35Å; D472-S474 PolarHBondContact OD1-N 2.89Å; D472-S474 PolarHBondContact OD1-OG 3.46Å; D472-S474 PolarHBondContact OD2-OG 2.71Å |
| 475 | M | 64.9 | Low | 66.5 | Low | 54 Ų | 54 | 68.2 Ų | 68.2 | 27% | 0.266 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -94.1 | -17.3 | -179.8 | -66.1 | -72.9 | -96.5 | 0 | 0 | 112.4 | D472 S473 D477 L478 I488 | D472-M475 HydrophobicContact CB-CB 4.4Å; D472-M475 HydrophobicContact CB-CG 4.27Å; D472-M475 PolarHBondContact O-N 3.48Å; S473-M475 VanDerWaalsContact C-N 3.3Å; S473-M475 PolarHBondContact O-N 2.99Å; M475-D477 VanDerWaalsContact C-N 3.31Å; M475-D477 PolarHBondContact O-N 3.3Å; M475-L478 WeakPolarHBondContact O-CB 3.03Å; M475-L478 PolarHBondContact O-N 3.35Å; M475-L478 HydrophobicContact SD-CD1 3.78Å; M475-I488 HydrophobicContact CE-CD1 3.75Å |
| 476 | L | 67.4 | Low | 68.8 | Low | 39 Ų | 39 | 61.7 Ų | 61.7 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.3 | -38.5 | -176.8 | -69.6 | 180 | 0 | 0 | 0 | 113.6 | P470 D472 L478 I479 | P470-L476 VanDerWaalsContact O-CD2 3.27Å; P470-L476 WeakPolarHBondContact O-CD2 3.44Å; D472-L476 PolarHBondContact O-N 3.1Å; L476-L478 PolarHBondContact O-N 3.09Å; L476-I479 HydrophobicContact CD2-CD1 4.07Å; L476-I479 PolarHBondContact O-N 2.81Å |
| 477 | D | 70 | Confident | 70.6 | Confident | 148 Ų | 148 | 58.5 Ų | 58.5 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11.7 | 178.5 | -70.5 | -20.3 | 0 | 0 | 0 | 112.9 | M475 | M475-D477 VanDerWaalsContact C-N 3.31Å; M475-D477 PolarHBondContact O-N 3.3Å |
| 478 | L | 76.7 | Confident | 71.8 | Confident | 42 Ų | 42 | 54 Ų | 54 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -8.1 | 179.7 | -60.4 | 169.1 | 0 | 0 | 0 | 113.1 | M475 L476 I488 R489 | M475-L478 WeakPolarHBondContact O-CB 3.03Å; M475-L478 PolarHBondContact O-N 3.35Å; M475-L478 HydrophobicContact SD-CD1 3.78Å; L476-L478 PolarHBondContact O-N 3.09Å; L478-I488 HydrophobicContact CB-CG2 3.95Å; L478-I488 WeakPolarHBondContact O-CA 3.2Å; L478-R489 WeakPolarHBondContact O-CG 3.47Å; L478-R489 PolarHBondContact O-N 3.01Å |
| 479 | I | 82.2 | Confident | 72.5 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 127 | -179.6 | -59.8 | 172.2 | 0 | 0 | 0 | 109.6 | W369 F468 L476 W481 P486 H487 I488 | W369-I479 HydrophobicContact CH2-CD1 4.21Å; F468-I479 HydrophobicContact CE2-CD1 4.04Å; F468-I479 HydrophobicContact CE2-CG1 4.38Å; F468-I479 HydrophobicContact CZ-CD1 3.85Å; L476-I479 HydrophobicContact CD2-CD1 4.07Å; L476-I479 PolarHBondContact O-N 2.81Å; I479-W481 HydrophobicContact CB-CZ2 4.22Å; I479-W481 HydrophobicContact CD1-CH2 4.43Å; I479-W481 HydrophobicContact CD1-CZ2 4.01Å; I479-W481 HydrophobicContact CG2-CD2 3.96Å; I479-W481 HydrophobicContact CG2-CE3 4.24Å; I479-W481 HydrophobicContact CG2-CG 4.47Å; I479-W481 HydrophobicContact CG2-CH2 4.36Å; I479-W481 HydrophobicContact CG2-CZ2 4.01Å; I479-W481 HydrophobicContact CG2-CZ3 4.45Å; I479-W481 PolarHBondContact O-N 3.26Å; I479-P486 HydrophobicContact CG2-CB 3.69Å; I479-H487 WeakPolarHBondContact CA-O 3.37Å; I479-I488 HydrophobicContact CG1-CG1 4.19Å |
| 480 | D | 83.7 | Confident | 72.4 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 9% | 0.086 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 100 | 170.6 | -151.7 | -49.4 | 0 | 0 | 0 | 111.5 | T482 E483 P486 H487 R489 | D480-T482 PolarHBondContact O-N 3.29Å; D480-T482 WeakPolarHBondContact OD1-CB 3.07Å; D480-T482 PolarHBondContact OD1-N 3.24Å; D480-T482 PolarHBondContact OD1-OG1 2.84Å; D480-E483 HydrophobicContact CB-CG 4.4Å; D480-P486 WeakPolarHBondContact O-CA 3.49Å; D480-H487 PolarHBondContact N-O 3.3Å; D480-R489 HydrophobicContact CB-CG 4.26Å; D480-R489 IonicContact OD2-CZ 3.43Å; D480-R489 IonicContact OD2-NE 3.49Å; D480-R489 PolarHBondContact OD2-NE 3.1Å; D480-R489 IonicContact OD2-NH2 3.54Å; D480-R489 PolarHBondContact OD2-NH2 3.07Å |
| 481 | W | 87.3 | Confident | 72.3 | Confident | 38 Ų | 38 | 68.9 Ų | 68.9 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -11.8 | 179.7 | -61.8 | 102.7 | 0 | 0 | 0 | 114 | W369 D373 R375 W376 A379 R416 I479 E483 P486 | W369-W481 AromaticContact CH2-CH2 3.73Å; W369-W481 HydrophobicContact CH2-CH2 3.73Å; W369-W481 AromaticContact CH2-CZ3 3.9Å; W369-W481 HydrophobicContact CH2-CZ3 3.9Å; W369-W481 AromaticContact CZ3-CH2 3.77Å; W369-W481 HydrophobicContact CZ3-CH2 3.77Å; W369-W481 HydrophobicContact CZ3-CZ3 4.06Å; D373-W481 HydrophobicContact CB-CZ3 4.22Å; D373-W481 WeakPolarHBondContact OD2-CH2 3.44Å; R375-W481 HydrophobicContact CB-CD2 3.72Å; R375-W481 HydrophobicContact CB-CE3 3.97Å; R375-W481 HydrophobicContact CB-CG 4.25Å; R375-W481 HydrophobicContact CB-CH2 4.11Å; R375-W481 HydrophobicContact CB-CZ2 3.95Å; R375-W481 HydrophobicContact CB-CZ3 4.14Å; R375-W481 HydrophobicContact CG-CZ2 4.5Å; W376-W481 HydrophobicContact CB-CE3 3.52Å; W376-W481 HydrophobicContact CB-CZ3 3.84Å; W376-W481 VanDerWaalsContact CD1-O 3.28Å; W376-W481 HydrophobicContact CG-CE3 4.35Å; A379-W481 HydrophobicContact CB-CB 3.78Å; A379-W481 WeakPolarHBondContact CB-O 3.2Å; R416-W481 PolarHBondContact NH2-O 3.01Å; I479-W481 HydrophobicContact CB-CZ2 4.22Å; I479-W481 HydrophobicContact CD1-CH2 4.43Å; I479-W481 HydrophobicContact CD1-CZ2 4.01Å; I479-W481 HydrophobicContact CG2-CD2 3.96Å; I479-W481 HydrophobicContact CG2-CE3 4.24Å; I479-W481 HydrophobicContact CG2-CG 4.47Å; I479-W481 HydrophobicContact CG2-CH2 4.36Å; I479-W481 HydrophobicContact CG2-CZ2 4.01Å; I479-W481 HydrophobicContact CG2-CZ3 4.45Å; I479-W481 PolarHBondContact O-N 3.26Å; W481-E483 VanDerWaalsContact C-N 3.34Å; W481-P486 HydrophobicContact CE3-CB 4.05Å; W481-P486 HydrophobicContact CE3-CG 4.49Å; W481-P486 HydrophobicContact CZ3-CB 4.32Å; W481-P486 HydrophobicContact CZ3-CG 4.42Å |
| 482 | T | 84.7 | Confident | 71.8 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 15% | 0.147 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10 | -173.7 | 69.8 | 0 | 0 | 0 | 0 | 113.8 | A379 R380 S381 Q382 R416 D480 | A379-T482 HydrophobicContact CB-CG2 4.38Å; R380-T482 VanDerWaalsContact O-CB 3.28Å; R380-T482 WeakPolarHBondContact O-CB 3.4Å; R380-T482 WeakPolarHBondContact O-CG2 3.46Å; S381-T482 WeakPolarHBondContact CA-O 3.33Å; Q382-T482 HydrophobicContact CG-CG2 4.19Å; Q382-T482 VanDerWaalsContact CG-OG1 3.31Å; Q382-T482 WeakPolarHBondContact CG-OG1 3.29Å; Q382-T482 PolarHBondContact N-O 2.7Å; Q382-T482 PolarHBondContact NE2-OG1 3.31Å; Q382-T482 VanDerWaalsContact NE2-OG1 3.1Å; R416-T482 PolarHBondContact NH2-O 3.04Å; D480-T482 PolarHBondContact O-N 3.29Å; D480-T482 WeakPolarHBondContact OD1-CB 3.07Å; D480-T482 PolarHBondContact OD1-N 3.24Å; D480-T482 PolarHBondContact OD1-OG1 2.84Å |
| 483 | E | 84.7 | Confident | 70.9 | Confident | 35 Ų | 35 | 68.5 Ų | 68.5 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -81 | 166.1 | 178.8 | -72.2 | -73.8 | 162.9 | 0 | 0 | 112.2 | W376 R383 R416 D480 W481 V485 | W376-E483 PolarHBondContact NE1-O 3.17Å; R383-E483 IonicContact CZ-OE2 3.86Å; R383-E483 IonicContact NE-OE2 3.87Å; R383-E483 PolarHBondContact NE-OE2 3.14Å; R383-E483 IonicContact NH2-OE2 2.98Å; R383-E483 PolarHBondContact NH2-OE2 2.86Å; R416-E483 PolarHBondContact NH2-O 3.2Å; D480-E483 HydrophobicContact CB-CG 4.4Å; W481-E483 VanDerWaalsContact C-N 3.34Å; E483-V485 VanDerWaalsContact C-N 3.3Å; E483-V485 WeakPolarHBondContact CB-O 3.41Å |
| 484 | D | 83.8 | Confident | 69.9 | Low | 46 Ų | 46 | 71.4 Ų | 71.4 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -68.8 | -31.9 | 177.7 | -83.9 | 2.4 | 0 | 0 | 0 | 112.1 | W376 P412 R416 | W376-D484 WeakPolarHBondContact CZ2-O 3.36Å; P412-D484 HydrophobicContact CB-CB 4.27Å; P412-D484 WeakPolarHBondContact CB-OD1 3.48Å; P412-D484 HydrophobicContact CG-CB 3.71Å; R416-D484 IonicContact NH1-OD1 3.17Å |
| 485 | V | 83 | Confident | 68.9 | Low | 81 Ų | 81 | 74.5 Ų | 74.5 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -127.1 | 120.3 | 167.7 | -173.7 | 0 | 0 | 0 | 0 | 107.1 | Y370 E483 H487 | Y370-V485 HydrophobicContact CE1-CG1 3.86Å; E483-V485 VanDerWaalsContact C-N 3.3Å; E483-V485 WeakPolarHBondContact CB-O 3.41Å; V485-H487 PolarHBondContact O-N 3.26Å; V485-H487 PolarHBondContact O-ND1 2.9Å |
| 486 | P | 82.3 | Confident | 67.8 | Low | 9 Ų | 9 | 79 Ų | 79 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | trans | -66.1 | 130.1 | -179.2 | 24.4 | -29.1 | 0 | 0 | 0 | 110.5 | W369 Y370 W376 I479 D480 W481 | W369-P486 HydrophobicContact CH2-CG 4.16Å; W369-P486 HydrophobicContact CZ2-CB 4.4Å; W369-P486 HydrophobicContact CZ2-CG 3.87Å; Y370-P486 VanDerWaalsContact CB-CG 3.42Å; Y370-P486 HydrophobicContact CD1-CG 3.88Å; Y370-P486 HydrophobicContact CD2-CG 3.74Å; Y370-P486 HydrophobicContact CE2-CG 4.45Å; Y370-P486 HydrophobicContact CG-CG 3.39Å; W376-P486 HydrophobicContact CG-CG 4.48Å; I479-P486 HydrophobicContact CG2-CB 3.69Å; D480-P486 WeakPolarHBondContact O-CA 3.49Å; W481-P486 HydrophobicContact CE3-CB 4.05Å; W481-P486 HydrophobicContact CE3-CG 4.49Å; W481-P486 HydrophobicContact CZ3-CB 4.32Å; W481-P486 HydrophobicContact CZ3-CG 4.42Å | ||
| 487 | H | 78 | Confident | 66.7 | Low | 83 Ų | 83 | 80.3 Ų | 80.3 | 38% | 0.384 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 159.7 | 180 | 64.6 | -91.3 | 0 | 0 | 0 | 111.4 | I479 D480 V485 | I479-H487 WeakPolarHBondContact CA-O 3.37Å; D480-H487 PolarHBondContact N-O 3.3Å; V485-H487 PolarHBondContact O-N 3.26Å; V485-H487 PolarHBondContact O-ND1 2.9Å |
| 488 | I | 69.5 | Low | 65.6 | Low | 18 Ų | 18 | 77.3 Ų | 77.3 | 9% | 0.092 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.2 | 179.3 | -66 | 163.6 | 0 | 0 | 0 | 110.1 | F468 M475 L478 I479 R490 Y491 | F468-I488 HydrophobicContact CD2-CD1 3.31Å; F468-I488 HydrophobicContact CD2-CG1 4.16Å; F468-I488 HydrophobicContact CE2-CD1 3.5Å; F468-I488 HydrophobicContact CE2-CG1 3.86Å; M475-I488 HydrophobicContact CE-CD1 3.75Å; L478-I488 HydrophobicContact CB-CG2 3.95Å; L478-I488 WeakPolarHBondContact O-CA 3.2Å; I479-I488 HydrophobicContact CG1-CG1 4.19Å; I488-R490 HydrophobicContact CG2-CB 4.22Å; I488-R490 PolarHBondContact O-N 3.49Å; I488-Y491 HydrophobicContact CB-CD2 4.3Å; I488-Y491 HydrophobicContact CG2-CD2 4.21Å; I488-Y491 PolarHBondContact O-N 3.07Å; I488-Y491 VanDerWaalsContact O-N 3.1Å |
| 489 | R | 65.4 | Low | 64.5 | Low | 153 Ų | 153 | 80 Ų | 80 | 58% | 0.577 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24.4 | -177.5 | -71.3 | 179.5 | 174.9 | 167.4 | 2.1 | 115.7 | L478 D480 | L478-R489 WeakPolarHBondContact O-CG 3.47Å; L478-R489 PolarHBondContact O-N 3.01Å; D480-R489 HydrophobicContact CB-CG 4.26Å; D480-R489 IonicContact OD2-CZ 3.43Å; D480-R489 IonicContact OD2-NE 3.49Å; D480-R489 PolarHBondContact OD2-NE 3.1Å; D480-R489 IonicContact OD2-NH2 3.54Å; D480-R489 PolarHBondContact OD2-NH2 3.07Å |
| 490 | R | 55 | Low | 63.8 | Low | 195 Ų | 195 | 81.4 Ų | 81.4 | 74% | 0.736 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27.8 | -179.1 | -78.1 | -169.6 | -179.2 | 176.1 | 3.4 | 113.5 | I488 G492 | I488-R490 HydrophobicContact CG2-CB 4.22Å; I488-R490 PolarHBondContact O-N 3.49Å; R490-G492 PolarHBondContact O-N 3.09Å |
| 491 | Y | 51.9 | Low | 63.7 | Low | 126 Ų | 126 | 82.5 Ų | 82.5 | 49% | 0.494 | 44% | 0.439 | S | S | . | . | trans | -98.9 | 83.3 | 176.6 | -59.3 | -73.7 | 0 | 0 | 0 | 106.6 | Q466 I488 T493 | Q466-Y491 PolarHBondContact OE1-OH 3.43Å; I488-Y491 HydrophobicContact CB-CD2 4.3Å; I488-Y491 HydrophobicContact CG2-CD2 4.21Å; I488-Y491 PolarHBondContact O-N 3.07Å; I488-Y491 VanDerWaalsContact O-N 3.1Å; Y491-T493 PolarHBondContact O-N 3.46Å | ||
| 492 | G | 45.9 | Very low | 63.5 | Low | 68 Ų | 68 | 87 Ų | 87 | 70% | 0.701 | 46% | 0.46 | S | S | * | . | trans | -66.2 | 67.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | R490 N494 | R490-G492 PolarHBondContact O-N 3.09Å; G492-N494 PolarHBondContact O-N 2.83Å; G492-N494 VanDerWaalsContact O-N 3.12Å | ||
| 493 | T | 45.5 | Very low | 63.7 | Low | 86 Ų | 86 | 87.3 Ų | 87.3 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | trans | -65.5 | 113.6 | 161.3 | 45.8 | 0 | 0 | 0 | 0 | 104.3 | Y491 Q495 | Y491-T493 PolarHBondContact O-N 3.46Å; T493-Q495 PolarHBondContact O-N 2.7Å | ||
| 494 | N | 40.2 | Very low | 64 | Low | 153 Ų | 153 | 86.2 Ų | 86.2 | 82% | 0.818 | 46% | 0.457 | S | S | * | . | trans | -62.7 | 55.3 | 154 | -70.6 | -18.6 | 0 | 0 | 0 | 107.8 | G492 D496 | G492-N494 PolarHBondContact O-N 2.83Å; G492-N494 VanDerWaalsContact O-N 3.12Å; N494-D496 PolarHBondContact O-N 2.6Å | ||
| 495 | Q | 44.4 | Very low | 64.4 | Low | 144 Ų | 144 | 86.4 Ų | 86.4 | 67% | 0.673 | 46% | 0.461 | S | S | * | . | trans | -63.5 | 94.5 | 153.5 | -78.6 | -175.6 | 15.9 | 0 | 0 | 102.3 | T493 T497 | T493-Q495 PolarHBondContact O-N 2.7Å; Q495-T497 PolarHBondContact O-N 3.43Å | ||
| 496 | D | 42 | Very low | 64.9 | Low | 147 Ų | 147 | 84.7 Ų | 84.7 | 79% | 0.786 | 45% | 0.452 | S | S | * | . | trans | -51.6 | 82.1 | 156.1 | -71.8 | -37.1 | 0 | 0 | 0 | 105 | N494 P498 | N494-D496 PolarHBondContact O-N 2.6Å; D496-P498 WeakPolarHBondContact O-CD 3.29Å | ||
| 497 | T | 45.1 | Very low | 65.4 | Low | 68 Ų | 68 | 85.9 Ų | 85.9 | 42% | 0.417 | 46% | 0.457 | S | S | . | . | trans | -53.3 | 111.9 | 172 | 36 | 0 | 0 | 0 | 0 | 102.9 | R383 Q495 S499 | R383-T497 PolarHBondContact NH2-OG1 2.88Å; Q495-T497 PolarHBondContact O-N 3.43Å; T497-S499 PolarHBondContact O-N 2.79Å | ||
| 498 | P | 46.5 | Very low | 66.2 | Low | 85 Ų | 85 | 82.8 Ų | 82.8 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | trans | -54.1 | 118.5 | -165.1 | 15.9 | -29.3 | 0 | 0 | 0 | 106.9 | D496 G500 | D496-P498 WeakPolarHBondContact O-CD 3.29Å; P498-G500 PolarHBondContact O-N 3.32Å | ||
| 499 | S | 53 | Low | 67.5 | Low | 97 Ų | 97 | 82 Ų | 82 | 68% | 0.678 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -71.8 | 31 | -163.3 | 68.2 | 0 | 0 | 0 | 0 | 113.6 | T497 | T497-S499 PolarHBondContact O-N 2.79Š|
| 500 | G | 67.6 | Low | 69 | Low | 37 Ų | 37 | 80.2 Ų | 80.2 | 38% | 0.381 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -123.9 | 141.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P498 K502 | P498-G500 PolarHBondContact O-N 3.32Å; G500-K502 PolarHBondContact O-N 2.82Å |
| 501 | W | 81.9 | Confident | 70.9 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 15% | 0.148 | 40% | 0.4 | C | S | . | . | trans | -56.1 | 138.3 | 169.2 | 178.5 | 89 | 0 | 0 | 0 | 110.5 | P406 T407 L409 I438 P503 Y553 Y554 | P406-W501 VanDerWaalsContact O-CZ2 3.22Å; P406-W501 WeakPolarHBondContact O-CZ2 3.46Å; P406-W501 PolarHBondContact O-NE1 3.35Å; T407-W501 PolarHBondContact O-NE1 2.75Å; L409-W501 PolarHBondContact O-NE1 2.88Å; I438-W501 HydrophobicContact CD1-CD2 4.33Å; I438-W501 HydrophobicContact CD1-CE3 3.64Å; I438-W501 HydrophobicContact CD1-CZ3 4.22Å; I438-W501 HydrophobicContact CG1-CB 4.5Å; W501-P503 HydrophobicContact CH2-CB 4.31Å; W501-P503 HydrophobicContact CH2-CG 4.01Å; W501-P503 HydrophobicContact CZ3-CG 4.01Å; W501-Y553 HydrophobicContact CE3-CE1 4.38Å; W501-Y553 HydrophobicContact CZ3-CD1 4.21Å; W501-Y553 AromaticContact CZ3-CE1 3.77Å; W501-Y553 HydrophobicContact CZ3-CE1 3.77Å; W501-Y554 AromaticContact CH2-CD1 3.97Å; W501-Y554 HydrophobicContact CH2-CD1 3.97Å; W501-Y554 AromaticContact CZ3-CD1 3.8Å; W501-Y554 HydrophobicContact CZ3-CD1 3.8Å; W501-Y554 HydrophobicContact CZ3-CE1 4.13Å | ||
| 502 | K | 82.5 | Confident | 73.1 | Confident | 133 Ų | 133 | 65.2 Ų | 65.2 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | trans | -128.2 | 149.5 | 173.6 | -67.5 | -177.8 | -178.7 | 178.8 | 0 | 109.7 | G500 | G500-K502 PolarHBondContact O-N 2.82Š| ||
| 503 | P | 88.3 | Confident | 75.5 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 145.5 | 171.2 | -23.4 | 33.1 | 0 | 0 | 0 | 111.7 | W501 Y553 | W501-P503 HydrophobicContact CH2-CB 4.31Å; W501-P503 HydrophobicContact CH2-CG 4.01Å; W501-P503 HydrophobicContact CZ3-CG 4.01Å; P503-Y553 WeakPolarHBondContact CD-OH 3.43Å; P503-Y553 HydrophobicContact CG-CE1 4.07Å; P503-Y553 HydrophobicContact CG-CE2 4.05Å |
| 504 | I | 93 | Very high | 77.9 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 124.5 | 177.5 | -58.9 | 179.1 | 0 | 0 | 0 | 109.2 | L409 L414 M508 W509 | L409-I504 HydrophobicContact CD2-CD1 3.85Å; L409-I504 HydrophobicContact CG-CD1 3.98Å; L414-I504 HydrophobicContact CB-CD1 4.35Å; L414-I504 HydrophobicContact CD2-CD1 3.97Å; I504-M508 HydrophobicContact CG2-CB 3.74Å; I504-W509 HydrophobicContact CB-CZ2 4.12Å; I504-W509 HydrophobicContact CD1-CH2 4.26Å; I504-W509 HydrophobicContact CD1-CZ2 3.84Å; I504-W509 HydrophobicContact CG1-CZ2 4.48Å; I504-W509 HydrophobicContact CG2-CD2 4.24Å; I504-W509 HydrophobicContact CG2-CG 4.28Å; I504-W509 HydrophobicContact CG2-CZ2 4.32Å; I504-W509 PolarHBondContact O-NE1 2.62Å |
| 505 | P | 91.9 | Very high | 80.5 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 159.3 | -175.6 | 31.1 | -35.9 | 0 | 0 | 0 | 112.7 | N507 M508 W509 | P505-N507 VanDerWaalsContact C-OD1 3.28Å; P505-N507 WeakPolarHBondContact CB-OD1 2.86Å; P505-N507 WeakPolarHBondContact CG-OD1 3.43Å; P505-N507 PolarHBondContact O-N 2.76Å; P505-N507 PolarHBondContact O-OD1 3.1Å; P505-M508 HydrophobicContact CG-CB 4.28Å; P505-M508 HydrophobicContact CG-CG 3.97Å; P505-M508 HydrophobicContact CG-SD 3.87Å; P505-M508 PolarHBondContact O-N 3.19Å; P505-W509 PolarHBondContact O-N 2.86Å |
| 506 | P | 93.8 | Very high | 83 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57 | -41.9 | -174.4 | -28.5 | 36.1 | 0 | 0 | 0 | 115.5 | M508 W509 R510 V557 P558 | P506-M508 PolarHBondContact O-N 3.39Å; P506-W509 WeakPolarHBondContact O-CB 3.41Å; P506-W509 PolarHBondContact O-N 3.3Å; P506-W509 VanDerWaalsContact O-N 3.14Å; P506-R510 WeakPolarHBondContact O-CG 3.39Å; P506-R510 PolarHBondContact O-N 2.83Å; P506-V557 HydrophobicContact CG-CG1 3.82Å; P506-P558 WeakPolarHBondContact CB-O 3.28Å |
| 507 | N | 93 | Very high | 85.5 | Confident | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -52.3 | -46.4 | 173.1 | 53.1 | -14 | 0 | 0 | 0 | 113.1 | D368 L371 P505 W509 R510 A511 | D368-N507 PolarHBondContact OD1-ND2 3.38Å; D368-N507 WeakPolarHBondContact OD2-CB 3.28Å; D368-N507 VanDerWaalsContact OD2-CG 3.3Å; D368-N507 PolarHBondContact OD2-ND2 2.89Å; L371-N507 HydrophobicContact CD1-CB 4.2Å; P505-N507 VanDerWaalsContact C-OD1 3.28Å; P505-N507 WeakPolarHBondContact CB-OD1 2.86Å; P505-N507 WeakPolarHBondContact CG-OD1 3.43Å; P505-N507 PolarHBondContact O-N 2.76Å; P505-N507 PolarHBondContact O-OD1 3.1Å; N507-W509 VanDerWaalsContact C-N 3.34Å; N507-W509 PolarHBondContact O-N 2.69Å; N507-R510 WeakPolarHBondContact O-CB 3.29Å; N507-R510 PolarHBondContact O-N 2.98Å; N507-A511 PolarHBondContact O-N 3.33Å |
| 508 | M | 94.8 | Very high | 87.8 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -34.3 | 176.7 | -71.6 | -176 | 173.3 | 0 | 0 | 111.9 | L371 G411 P412 L415 I504 P505 P506 A511 A512 | L371-M508 HydrophobicContact CD1-CG 4.15Å; L371-M508 HydrophobicContact CD2-CE 3.84Å; L371-M508 HydrophobicContact CD2-CG 3.85Å; G411-M508 VanDerWaalsContact CA-SD 3.56Å; P412-M508 HydrophobicContact CG-CE 4.36Å; L415-M508 HydrophobicContact CD1-CB 4.42Å; L415-M508 HydrophobicContact CD1-CG 4.26Å; I504-M508 HydrophobicContact CG2-CB 3.74Å; P505-M508 HydrophobicContact CG-CB 4.28Å; P505-M508 HydrophobicContact CG-CG 3.97Å; P505-M508 HydrophobicContact CG-SD 3.87Å; P505-M508 PolarHBondContact O-N 3.19Å; P506-M508 PolarHBondContact O-N 3.39Å; M508-A511 PolarHBondContact O-N 2.9Å; M508-A512 WeakPolarHBondContact O-CB 3.3Å; M508-A512 PolarHBondContact O-N 3.14Å |
| 509 | W | 96.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.011 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 171.5 | -75.7 | 117.1 | 0 | 0 | 0 | 112.7 | L414 L426 I504 P505 P506 N507 A512 I513 I521 P556 P559 A560 | L414-W509 HydrophobicContact CD2-CD2 4.5Å; L414-W509 HydrophobicContact CD2-CE3 3.81Å; L414-W509 HydrophobicContact CD2-CH2 3.63Å; L414-W509 HydrophobicContact CD2-CZ2 4.35Å; L414-W509 HydrophobicContact CD2-CZ3 3.31Å; L426-W509 HydrophobicContact CD2-CH2 4.36Å; I504-W509 HydrophobicContact CB-CZ2 4.12Å; I504-W509 HydrophobicContact CD1-CH2 4.26Å; I504-W509 HydrophobicContact CD1-CZ2 3.84Å; I504-W509 HydrophobicContact CG1-CZ2 4.48Å; I504-W509 HydrophobicContact CG2-CD2 4.24Å; I504-W509 HydrophobicContact CG2-CG 4.28Å; I504-W509 HydrophobicContact CG2-CZ2 4.32Å; I504-W509 PolarHBondContact O-NE1 2.62Å; P505-W509 PolarHBondContact O-N 2.86Å; P506-W509 WeakPolarHBondContact O-CB 3.41Å; P506-W509 PolarHBondContact O-N 3.3Å; P506-W509 VanDerWaalsContact O-N 3.14Å; N507-W509 VanDerWaalsContact C-N 3.34Å; N507-W509 PolarHBondContact O-N 2.69Å; W509-A512 HydrophobicContact CE3-CB 4.21Å; W509-A512 WeakPolarHBondContact O-CB 3.39Å; W509-A512 PolarHBondContact O-N 3.22Å; W509-I513 WeakPolarHBondContact O-CD1 3.43Å; W509-I513 VanDerWaalsContact O-CG1 3.31Å; W509-I513 WeakPolarHBondContact O-CG1 3.5Å; W509-I513 PolarHBondContact O-N 3.39Å; W509-I521 HydrophobicContact CE3-CD1 4.04Å; W509-I521 HydrophobicContact CH2-CD1 3.52Å; W509-I521 HydrophobicContact CZ2-CD1 4.47Å; W509-I521 HydrophobicContact CZ3-CD1 3.25Å; W509-I521 HydrophobicContact CZ3-CG1 4.48Å; W509-P556 HydrophobicContact CZ2-CB 3.8Å; W509-P556 HydrophobicContact CZ2-CG 4.46Å; W509-P559 HydrophobicContact CB-CG 4.39Å; W509-A560 HydrophobicContact CD2-CB 3.52Å; W509-A560 HydrophobicContact CE3-CB 3.87Å; W509-A560 HydrophobicContact CG-CB 3.84Å; W509-A560 HydrophobicContact CH2-CB 4.46Å; W509-A560 HydrophobicContact CZ2-CB 4.14Å; W509-A560 HydrophobicContact CZ3-CB 4.34Å |
| 510 | R | 95.7 | Very high | 92.3 | Very high | 114 Ų | 114 | 53.3 Ų | 53.3 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 172.3 | -67.3 | 174.5 | -166.6 | 127.6 | -6.2 | 110.4 | D454 P506 N507 A512 I513 I514 P559 | D454-R510 IonicContact OD2-NH2 3.39Å; D454-R510 PolarHBondContact OD2-NH2 3.49Å; P506-R510 WeakPolarHBondContact O-CG 3.39Å; P506-R510 PolarHBondContact O-N 2.83Å; N507-R510 WeakPolarHBondContact O-CB 3.29Å; N507-R510 PolarHBondContact O-N 2.98Å; R510-A512 VanDerWaalsContact C-N 3.34Å; R510-A512 PolarHBondContact O-N 3.07Å; R510-I513 PolarHBondContact O-N 3.28Å; R510-I514 WeakPolarHBondContact O-CG1 3.46Å; R510-I514 PolarHBondContact O-N 3.43Å; R510-P559 HydrophobicContact CG-CG 3.49Å; R510-P559 VanDerWaalsContact CG-CG 3.49Å |
| 511 | A | 95.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L371 L372 L415 N507 M508 I513 I514 L515 | L371-A511 HydrophobicContact CB-CB 4.08Å; L371-A511 HydrophobicContact CD1-CB 4.28Å; L372-A511 HydrophobicContact CD2-CB 4.06Å; L415-A511 HydrophobicContact CD1-CB 4.21Å; L415-A511 HydrophobicContact CD2-CB 3.87Å; N507-A511 PolarHBondContact O-N 3.33Å; M508-A511 PolarHBondContact O-N 2.9Å; A511-I513 VanDerWaalsContact C-N 3.34Å; A511-I513 PolarHBondContact O-N 2.86Å; A511-I514 PolarHBondContact O-N 3.3Å; A511-L515 WeakPolarHBondContact O-CG 3.45Å; A511-L515 PolarHBondContact O-N 2.85Å |
| 512 | A | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L414 L415 L418 M508 W509 R510 L515 C516 L519 | L414-A512 HydrophobicContact CD2-CB 4.03Å; L414-A512 HydrophobicContact CG-CB 4.48Å; L415-A512 HydrophobicContact CD2-CB 3.9Å; L418-A512 HydrophobicContact CD1-CB 3.51Å; M508-A512 WeakPolarHBondContact O-CB 3.3Å; M508-A512 PolarHBondContact O-N 3.14Å; W509-A512 HydrophobicContact CE3-CB 4.21Å; W509-A512 WeakPolarHBondContact O-CB 3.39Å; W509-A512 PolarHBondContact O-N 3.22Å; R510-A512 VanDerWaalsContact C-N 3.34Å; R510-A512 PolarHBondContact O-N 3.07Å; A512-L515 PolarHBondContact O-N 3.21Å; A512-C516 PolarHBondContact O-N 2.84Å; A512-L519 HydrophobicContact CB-CD2 4.43Å |
| 513 | I | 96.2 | Very high | 95.2 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 28% | 0.282 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 176.9 | -64.7 | 161.3 | 0 | 0 | 0 | 111.1 | W509 R510 A511 C516 P517 P559 P561 | W509-I513 WeakPolarHBondContact O-CD1 3.43Å; W509-I513 VanDerWaalsContact O-CG1 3.31Å; W509-I513 WeakPolarHBondContact O-CG1 3.5Å; W509-I513 PolarHBondContact O-N 3.39Å; R510-I513 PolarHBondContact O-N 3.28Å; A511-I513 VanDerWaalsContact C-N 3.34Å; A511-I513 PolarHBondContact O-N 2.86Å; I513-C516 CarbonylContact O-C 3.58Å; I513-C516 VanDerWaalsContact O-C 3.23Å; I513-P517 VanDerWaalsContact O-CA 3.24Å; I513-P517 WeakPolarHBondContact O-CA 3.4Å; I513-P517 WeakPolarHBondContact O-CD 3.46Å; I513-P517 WeakPolarHBondContact O-CG 3.24Å; I513-P559 HydrophobicContact CD1-CB 4.29Å; I513-P559 HydrophobicContact CD1-CG 4.27Å; I513-P559 WeakPolarHBondContact CD1-O 3.26Å; I513-P561 HydrophobicContact CG1-CG 4.09Å |
| 514 | I | 95.9 | Very high | 95.6 | Very high | 109 Ų | 109 | 44.5 Ų | 44.5 | 56% | 0.559 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.4 | -45.1 | 175.4 | -68.2 | 166 | 0 | 0 | 0 | 110.5 | L372 R510 A511 | L372-I514 HydrophobicContact CD1-CD1 4.26Å; L372-I514 HydrophobicContact CD1-CG2 4.15Å; L372-I514 HydrophobicContact CD2-CG2 4.27Å; R510-I514 WeakPolarHBondContact O-CG1 3.46Å; R510-I514 PolarHBondContact O-N 3.43Å; A511-I514 PolarHBondContact O-N 3.3Å |
| 515 | L | 95.6 | Very high | 95.6 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 178.3 | -71 | 175.5 | 0 | 0 | 0 | 112.3 | L372 L377 L415 L418 Y419 A511 A512 | L372-L515 HydrophobicContact CD2-CD1 4.49Å; L372-L515 HydrophobicContact CD2-CD2 3.99Å; L372-L515 HydrophobicContact CD2-CG 3.94Å; L377-L515 HydrophobicContact CD1-CD1 4.16Å; L377-L515 HydrophobicContact CD1-CD2 3.96Å; L377-L515 HydrophobicContact CD2-CD1 4.15Å; L415-L515 HydrophobicContact CB-CD1 4.29Å; L415-L515 HydrophobicContact CD2-CD1 3.83Å; L418-L515 HydrophobicContact CB-CB 4.34Å; Y419-L515 HydrophobicContact CD2-CD2 4.23Å; A511-L515 WeakPolarHBondContact O-CG 3.45Å; A511-L515 PolarHBondContact O-N 2.85Å; A512-L515 PolarHBondContact O-N 3.21Å |
| 516 | C | 96.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 44 Ų | 44 | 14% | 0.142 | 22% | 0.217 | C | C | . | . | trans | -135.9 | 86.6 | -179.4 | -170.5 | 0 | 0 | 0 | 0 | 111.1 | L418 A512 I513 R518 L519 | L418-C516 HydrophobicContact CB-CB 4.45Å; L418-C516 HydrophobicContact CD2-CB 3.95Å; A512-C516 PolarHBondContact O-N 2.84Å; I513-C516 CarbonylContact O-C 3.58Å; I513-C516 VanDerWaalsContact O-C 3.23Å; C516-R518 PolarHBondContact O-N 3.06Å; C516-R518 VanDerWaalsContact O-N 3.08Å; C516-L519 HydrophobicContact CB-CB 4.19Å; C516-L519 WeakPolarHBondContact O-CB 3.2Å; C516-L519 PolarHBondContact O-N 2.75Å | ||
| 517 | P | 94.5 | Very high | 95.2 | Very high | 107 Ų | 107 | 42.1 Ų | 42.1 | 70% | 0.695 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.9 | -179.7 | -25 | 34.2 | 0 | 0 | 0 | 114.5 | I513 | I513-P517 VanDerWaalsContact O-CA 3.24Å; I513-P517 WeakPolarHBondContact O-CA 3.4Å; I513-P517 WeakPolarHBondContact O-CD 3.46Å; I513-P517 WeakPolarHBondContact O-CG 3.24Å |
| 518 | R | 94.8 | Very high | 94.2 | Very high | 212 Ų | 212 | 45.4 Ų | 45.4 | 80% | 0.8 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 5.3 | 177.7 | -64.5 | -175.5 | 177.9 | -178.4 | 0.2 | 113.1 | C516 T520 | C516-R518 PolarHBondContact O-N 3.06Å; C516-R518 VanDerWaalsContact O-N 3.08Å; R518-T520 PolarHBondContact O-N 3.11Å |
| 519 | L | 97.2 | Very high | 92.6 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | -60.4 | 124.7 | 179.5 | 179 | 61.9 | 0 | 0 | 0 | 110.6 | L418 H424 L426 A512 C516 I521 P561 | L418-L519 HydrophobicContact CD1-CD2 3.88Å; L418-L519 HydrophobicContact CD2-CD1 3.85Å; L418-L519 HydrophobicContact CD2-CD2 4.12Å; L418-L519 HydrophobicContact CD2-CG 4.48Å; H424-L519 CarbonylContact O-C 3.57Å; H424-L519 WeakPolarHBondContact O-CA 3.32Å; L426-L519 HydrophobicContact CB-CD1 4.38Å; A512-L519 HydrophobicContact CB-CD2 4.43Å; C516-L519 HydrophobicContact CB-CB 4.19Å; C516-L519 WeakPolarHBondContact O-CB 3.2Å; C516-L519 PolarHBondContact O-N 2.75Å; L519-I521 HydrophobicContact CG-CG1 4.36Å; L519-P561 HydrophobicContact CB-CG 4.38Å; L519-P561 HydrophobicContact CD2-CG 4.26Å; L519-P561 HydrophobicContact CG-CG 4.23Å; L519-P561 WeakPolarHBondContact O-CG 3.4Å | ||
| 520 | T | 96.3 | Very high | 90.3 | Very high | 40 Ų | 40 | 51.6 Ų | 51.6 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.7 | 173.3 | 67.5 | 0 | 0 | 0 | 0 | 110.3 | H424 L426 R518 H522 T563 | H424-T520 PolarHBondContact O-N 3.28Å; H424-T520 PolarHBondContact O-OG1 3.26Å; L426-T520 PolarHBondContact N-O 2.82Å; R518-T520 PolarHBondContact O-N 3.11Å; T520-H522 PolarHBondContact OG1-NE2 3.14Å; T520-T563 HydrophobicContact CG2-CG2 3.9Å |
| 521 | I | 97.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.7 | 177.1 | -56.9 | 171.3 | 0 | 0 | 0 | 110.1 | L426 L428 W509 L519 A560 P561 V562 T563 S564 | L426-I521 HydrophobicContact CB-CG1 4.44Å; L426-I521 HydrophobicContact CD2-CG1 4.42Å; L426-I521 CarbonylContact O-C 3.5Å; L426-I521 VanDerWaalsContact O-CA 3.27Å; L426-I521 WeakPolarHBondContact O-CA 3.46Å; L428-I521 HydrophobicContact CD1-CG2 4.22Å; L428-I521 HydrophobicContact CG-CG2 4.48Å; W509-I521 HydrophobicContact CE3-CD1 4.04Å; W509-I521 HydrophobicContact CH2-CD1 3.52Å; W509-I521 HydrophobicContact CZ2-CD1 4.47Å; W509-I521 HydrophobicContact CZ3-CD1 3.25Å; W509-I521 HydrophobicContact CZ3-CG1 4.48Å; L519-I521 HydrophobicContact CG-CG1 4.36Å; I521-A560 HydrophobicContact CD1-CB 4.15Å; I521-P561 WeakPolarHBondContact CB-O 3.01Å; I521-P561 HydrophobicContact CD1-CG 3.95Å; I521-P561 HydrophobicContact CG1-CG 4.25Å; I521-P561 PolarHBondContact N-O 2.9Å; I521-V562 HydrophobicContact CB-CG2 4.31Å; I521-V562 HydrophobicContact CG2-CG2 4.14Å; I521-V562 CarbonylContact O-C 3.56Å; I521-V562 WeakPolarHBondContact O-CA 3.45Å; I521-T563 PolarHBondContact O-N 3.07Å; I521-T563 PolarHBondContact O-OG1 2.87Å; I521-S564 PolarHBondContact O-N 3.35Å |
| 522 | H | 97.4 | Very high | 85.5 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 19% | 0.185 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 111 | 173.9 | -57.2 | -81.9 | 0 | 0 | 0 | 109.1 | Q425 L426 S427 L428 T520 S564 | Q425-H522 WeakPolarHBondContact CG-NE2 3.43Å; Q425-H522 PolarHBondContact NE2-CD2 2.86Å; Q425-H522 PolarHBondContact NE2-NE2 3.4Å; L426-H522 PolarHBondContact O-N 2.83Å; S427-H522 CarbonylContact C-O 3.56Å; S427-H522 WeakPolarHBondContact CA-O 3.41Å; L428-H522 PolarHBondContact N-O 3.02Å; T520-H522 PolarHBondContact OG1-NE2 3.14Å; H522-S564 WeakPolarHBondContact CB-OG 3.21Å; H522-S564 PolarHBondContact ND1-OG 2.99Å |
| 523 | L | 97.2 | Very high | 82.8 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.1 | 175.9 | -177.2 | 62.1 | 0 | 0 | 0 | 109.3 | L428 W555 V562 S564 I565 T566 | L428-L523 HydrophobicContact CB-CD1 4.2Å; L523-W555 HydrophobicContact CD2-CB 4.48Å; L523-W555 HydrophobicContact CD2-CD2 3.47Å; L523-W555 VanDerWaalsContact CD2-CD2 3.47Å; L523-W555 HydrophobicContact CD2-CE3 3.75Å; L523-W555 HydrophobicContact CD2-CG 3.83Å; L523-W555 HydrophobicContact CD2-CH2 4.24Å; L523-W555 HydrophobicContact CD2-CZ2 4.01Å; L523-W555 HydrophobicContact CD2-CZ3 4.13Å; L523-V562 HydrophobicContact CB-CG1 4.07Å; L523-S564 PolarHBondContact N-O 2.79Å; L523-I565 HydrophobicContact CB-CG1 4.38Å; L523-I565 CarbonylContact O-C 3.55Å; L523-I565 WeakPolarHBondContact O-CA 3.5Å; L523-T566 PolarHBondContact O-N 2.65Å |
| 524 | K | 95.8 | Very high | 80.3 | Confident | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.6 | 178.9 | -163.8 | 178.4 | -162.7 | -165.1 | 0 | 109.7 | L428 I429 Q430 E526 T566 Y753 L754 L755 | L428-K524 PolarHBondContact O-N 3.29Å; I429-K524 CarbonylContact C-O 3.6Å; I429-K524 WeakPolarHBondContact CA-O 3.31Å; I429-K524 HydrophobicContact CD1-CD 4.23Å; I429-K524 HydrophobicContact CG1-CB 4.13Å; I429-K524 HydrophobicContact CG1-CD 4.47Å; I429-K524 HydrophobicContact CG2-CB 4.47Å; Q430-K524 PolarHBondContact N-O 2.82Å; K524-E526 HydrophobicContact CD-CG 4.15Å; K524-E526 VanDerWaalsContact CD-OE1 3.29Å; K524-E526 WeakPolarHBondContact CD-OE1 3.47Å; K524-E526 WeakPolarHBondContact CE-OE1 3.4Å; K524-E526 HydrophobicContact CG-CG 4.03Å; K524-E526 IonicContact NZ-OE1 2.62Å; K524-E526 PolarHBondContact NZ-OE1 3.17Å; K524-T566 CarbonylContact C-O 3.58Å; K524-T566 WeakPolarHBondContact CA-O 3.48Å; K524-T566 HydrophobicContact CG-CG2 4.1Å; K524-Y753 WeakPolarHBondContact CE-O 3.43Å; K524-L754 VanDerWaalsContact NZ-C 3.27Å; K524-L754 PolarHBondContact NZ-O 3.15Å; K524-L755 VanDerWaalsContact NZ-C 3.3Å; K524-L755 PolarHBondContact NZ-OXT 3.21Å |
| 525 | L | 94.4 | Very high | 77.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 113.2 | 175.5 | -175 | 64.4 | 0 | 0 | 0 | 108.3 | Q430 L527 V551 T566 L567 I568 L569 L579 | Q430-L525 HydrophobicContact CB-CD1 3.68Å; Q430-L525 HydrophobicContact CG-CD1 3.52Å; Q430-L525 CarbonylContact O-C 3.23Å; Q430-L525 WeakPolarHBondContact O-CA 3.34Å; L525-L527 HydrophobicContact CD1-CD1 3.93Å; L525-L527 HydrophobicContact CD1-CD2 3.9Å; L525-L527 HydrophobicContact CD1-CG 3.84Å; L525-L527 HydrophobicContact CD2-CD1 4.03Å; L525-L527 HydrophobicContact CD2-CG 4.48Å; L525-L527 HydrophobicContact CG-CD1 3.98Å; L525-L527 HydrophobicContact CG-CD2 4.49Å; L525-L527 HydrophobicContact CG-CG 3.9Å; L525-V551 HydrophobicContact CD1-CG1 4.13Å; L525-V551 HydrophobicContact CD2-CG1 3.81Å; L525-T566 PolarHBondContact N-O 3.34Å; L525-L567 HydrophobicContact CB-CD2 3.73Å; L525-L567 HydrophobicContact CD2-CD2 3.98Å; L525-L567 HydrophobicContact CG-CD2 4.48Å; L525-I568 PolarHBondContact O-N 3.27Å; L525-L569 HydrophobicContact CD2-CD2 3.92Å; L525-L569 HydrophobicContact CG-CD2 4.11Å; L525-L579 HydrophobicContact CD2-CD2 3.8Å |
| 526 | E | 90.5 | Very high | 75.1 | Confident | 52 Ų | 52 | 57 Ų | 57 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 95 | 178.7 | -56.5 | -175.8 | 166 | 0 | 0 | 110 | Q430 T431 K524 I568 | Q430-E526 PolarHBondContact O-N 2.79Å; T431-E526 WeakPolarHBondContact CA-O 3.49Å; T431-E526 WeakPolarHBondContact CB-O 3.46Å; T431-E526 HydrophobicContact CG2-CB 4.2Å; K524-E526 HydrophobicContact CD-CG 4.15Å; K524-E526 VanDerWaalsContact CD-OE1 3.29Å; K524-E526 WeakPolarHBondContact CD-OE1 3.47Å; K524-E526 WeakPolarHBondContact CE-OE1 3.4Å; K524-E526 HydrophobicContact CG-CG 4.03Å; K524-E526 IonicContact NZ-OE1 2.62Å; K524-E526 PolarHBondContact NZ-OE1 3.17Å; E526-I568 CarbonylContact C-O 3.56Å; E526-I568 WeakPolarHBondContact CA-O 3.44Å; E526-I568 HydrophobicContact CG-CB 4.4Å; E526-I568 HydrophobicContact CG-CD1 4.27Å |
| 527 | L | 85.3 | Confident | 72.2 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 112.8 | -179.5 | -52.9 | 178.8 | 0 | 0 | 0 | 109.3 | D432 L525 L531 V551 I568 L569 T570 | D432-L527 VanDerWaalsContact OD1-CD2 3.26Å; D432-L527 WeakPolarHBondContact OD1-CD2 3.06Å; L525-L527 HydrophobicContact CD1-CD1 3.93Å; L525-L527 HydrophobicContact CD1-CD2 3.9Å; L525-L527 HydrophobicContact CD1-CG 3.84Å; L525-L527 HydrophobicContact CD2-CD1 4.03Å; L525-L527 HydrophobicContact CD2-CG 4.48Å; L525-L527 HydrophobicContact CG-CD1 3.98Å; L525-L527 HydrophobicContact CG-CD2 4.49Å; L525-L527 HydrophobicContact CG-CG 3.9Å; L527-L531 HydrophobicContact CD1-CD2 3.95Å; L527-V551 HydrophobicContact CD1-CG2 4.37Å; L527-I568 PolarHBondContact N-O 3.43Å; L527-L569 HydrophobicContact CB-CD2 3.8Å; L527-L569 HydrophobicContact CD1-CD2 3.72Å; L527-L569 HydrophobicContact CG-CD2 3.83Å; L527-L569 CarbonylContact O-C 3.31Å; L527-L569 WeakPolarHBondContact O-CA 3.3Å; L527-T570 PolarHBondContact O-N 2.93Å; L527-T570 PolarHBondContact O-OG1 3.25Å |
| 528 | V | 72.3 | Confident | 69.4 | Low | 104 Ų | 104 | 62.5 Ų | 62.5 | 63% | 0.63 | 30% | 0.297 | S | S | * | . | trans | -106.4 | -32 | -172.4 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | D432 T570 | D432-V528 PolarHBondContact OD2-N 2.84Å; V528-T570 PolarHBondContact O-OG1 3.36Å | ||
| 529 | E | 61.5 | Low | 66.8 | Low | 84 Ų | 84 | 59 Ų | 59 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -80.9 | 137.5 | 170.9 | -68.2 | -170.7 | 169.9 | 0 | 0 | 109.7 | D432 L531 C533 | D432-E529 PolarHBondContact OD2-N 3.39Å; E529-L531 PolarHBondContact O-N 3.44Å; E529-L531 VanDerWaalsContact O-N 3.12Å; E529-C533 HydrophobicContact CB-CB 4.36Å; E529-C533 VanDerWaalsContact OE2-CB 3.29Å; E529-C533 WeakPolarHBondContact OE2-CB 3.18Å |
| 530 | D | 49.3 | Very low | 64.4 | Low | 65 Ų | 65 | 61.2 Ų | 61.2 | 35% | 0.348 | 32% | 0.322 | S | S | . | . | trans | -51 | 126.6 | 166.6 | -172.3 | 24.4 | 0 | 0 | 0 | 106.1 | T532 C533 | D530-T532 WeakPolarHBondContact CB-OG1 3.29Å; D530-T532 WeakPolarHBondContact O-CA 3.45Å; D530-T532 PolarHBondContact O-N 3.43Å; D530-T532 PolarHBondContact O-OG1 3.43Å; D530-T532 WeakPolarHBondContact OD2-CG2 3.46Å; D530-T532 PolarHBondContact OD2-OG1 3.26Å; D530-C533 PolarHBondContact O-N 3.24Å | ||
| 531 | L | 49.7 | Very low | 62.2 | Low | 29 Ų | 29 | 64.2 Ų | 64.2 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -3.3 | -175.8 | -73 | 154.2 | 0 | 0 | 0 | 113.8 | L527 E529 C533 L534 V551 F575 | L527-L531 HydrophobicContact CD1-CD2 3.95Å; E529-L531 PolarHBondContact O-N 3.44Å; E529-L531 VanDerWaalsContact O-N 3.12Å; L531-C533 VanDerWaalsContact C-N 3.35Å; L531-L534 HydrophobicContact CD2-CD1 4.1Å; L531-V551 HydrophobicContact CD2-CG2 4.47Å; L531-F575 HydrophobicContact CD1-CD1 3.72Å; L531-F575 HydrophobicContact CD1-CD2 3.6Å; L531-F575 HydrophobicContact CD1-CE1 3.4Å; L531-F575 VanDerWaalsContact CD1-CE1 3.4Å; L531-F575 HydrophobicContact CD1-CE2 3.26Å; L531-F575 HydrophobicContact CD1-CG 3.82Å; L531-F575 HydrophobicContact CD1-CZ 3.17Å; L531-F575 HydrophobicContact CD2-CZ 4.42Å; L531-F575 HydrophobicContact CG-CZ 4.42Å |
| 532 | T | 40.7 | Very low | 60 | Low | 54 Ų | 54 | 67.3 Ų | 67.3 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -27.6 | 167 | 58 | 0 | 0 | 0 | 0 | 114.2 | D530 | D530-T532 WeakPolarHBondContact CB-OG1 3.29Å; D530-T532 WeakPolarHBondContact O-CA 3.45Å; D530-T532 PolarHBondContact O-N 3.43Å; D530-T532 PolarHBondContact O-OG1 3.43Å; D530-T532 WeakPolarHBondContact OD2-CG2 3.46Å; D530-T532 PolarHBondContact OD2-OG1 3.26Å |
| 533 | C | 39.6 | Very low | 58 | Low | 62 Ų | 62 | 66.8 Ų | 66.8 | 42% | 0.419 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -85.2 | -22.5 | 179.9 | -69.6 | 0 | 0 | 0 | 0 | 113.6 | E529 D530 L531 R535 | E529-C533 HydrophobicContact CB-CB 4.36Å; E529-C533 VanDerWaalsContact OE2-CB 3.29Å; E529-C533 WeakPolarHBondContact OE2-CB 3.18Å; D530-C533 PolarHBondContact O-N 3.24Å; L531-C533 VanDerWaalsContact C-N 3.35Å; C533-R535 PolarHBondContact O-N 3.18Å |
| 534 | L | 43.3 | Very low | 56.1 | Low | 40 Ų | 40 | 72.8 Ų | 72.8 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -71.2 | 104.1 | 166.5 | -69.8 | 170.6 | 0 | 0 | 0 | 107.7 | V435 L531 W536 | V435-L534 HydrophobicContact CG1-CD2 3.9Å; L531-L534 HydrophobicContact CD2-CD1 4.1Å; L534-W536 PolarHBondContact O-N 2.85Å |
| 535 | R | 44.3 | Very low | 54.5 | Low | 166 Ų | 166 | 76 Ų | 76 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 54.4 | -16.9 | 151 | -117.5 | 176.8 | -179.5 | -179.5 | -3.8 | 121.9 | C533 | C533-R535 PolarHBondContact O-N 3.18Š|
| 536 | W | 39 | Very low | 53.1 | Low | 96 Ų | 96 | 79.5 Ų | 79.5 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | trans | -117.8 | 52.7 | -167.2 | -53.4 | 78 | 0 | 0 | 0 | 109.9 | L534 S538 D543 D546 N550 | L534-W536 PolarHBondContact O-N 2.85Å; W536-S538 PolarHBondContact O-N 2.87Å; W536-D543 HydrophobicContact CE3-CB 4.3Å; W536-D546 HydrophobicContact CE3-CB 4.22Å; W536-D546 HydrophobicContact CH2-CB 3.8Å; W536-D546 HydrophobicContact CZ2-CB 4.49Å; W536-D546 HydrophobicContact CZ3-CB 3.63Å; W536-N550 WeakPolarHBondContact CZ2-ND2 3.28Å | ||
| 537 | K | 34.2 | Very low | 52.1 | Low | 197 Ų | 197 | 77.5 Ų | 77.5 | 86% | 0.857 | 42% | 0.416 | S | S | * | . | trans | -68.2 | 43.5 | 163.3 | -80 | -169.7 | 176.3 | -179 | 0 | 111.6 | ||||
| 538 | S | 36.2 | Very low | 51.9 | Low | 46 Ų | 46 | 77.7 Ų | 77.7 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | trans | -91.3 | 122.5 | 159.2 | 31.4 | 0 | 0 | 0 | 0 | 106.2 | W536 S540 D543 | W536-S538 PolarHBondContact O-N 2.87Å; S538-S540 PolarHBondContact O-N 2.76Å; S538-D543 WeakPolarHBondContact CB-OD2 3.29Å; S538-D543 VanDerWaalsContact OG-CG 3.27Å; S538-D543 PolarHBondContact OG-OD2 2.67Å | ||
| 539 | S | 41.1 | Very low | 52.2 | Low | 138 Ų | 138 | 77.9 Ų | 77.9 | 97% | 0.965 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -64.2 | 4.5 | -175.4 | -30 | 0 | 0 | 0 | 0 | 114.1 | ||
| 540 | S | 45.9 | Very low | 52.9 | Low | 54 Ų | 54 | 76.3 Ų | 76.3 | 38% | 0.378 | 41% | 0.405 | S | S | . | . | trans | -91.1 | 129.6 | -178.1 | 42.2 | 0 | 0 | 0 | 0 | 111.6 | S538 S542 D543 | S538-S540 PolarHBondContact O-N 2.76Å; S540-S542 WeakPolarHBondContact CB-OG 3.35Å; S540-S542 PolarHBondContact O-N 2.99Å; S540-S542 VanDerWaalsContact O-N 3.13Å; S540-D543 PolarHBondContact O-N 2.86Å; S540-D543 PolarHBondContact OG-OD1 2.77Å | ||
| 541 | S | 50.3 | Low | 54.6 | Low | 102 Ų | 102 | 73.6 Ų | 73.6 | 71% | 0.713 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.8 | 177 | 55 | 0 | 0 | 0 | 0 | 114.3 | D543 F545 | S541-D543 VanDerWaalsContact C-N 3.27Å; S541-D543 PolarHBondContact O-N 2.82Å; S541-F545 WeakPolarHBondContact O-CD2 3.24Å; S541-F545 WeakPolarHBondContact O-CE2 3.26Å |
| 542 | S | 51.6 | Low | 56.4 | Low | 66 Ų | 66 | 72.3 Ų | 72.3 | 46% | 0.462 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.9 | 174.7 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | S540 F545 | S540-S542 WeakPolarHBondContact CB-OG 3.35Å; S540-S542 PolarHBondContact O-N 2.99Å; S540-S542 VanDerWaalsContact O-N 3.13Å; S542-F545 WeakPolarHBondContact O-CB 3.22Å; S542-F545 VanDerWaalsContact O-CD2 3.29Å; S542-F545 WeakPolarHBondContact O-CD2 3.4Å; S542-F545 PolarHBondContact O-N 2.74Å |
| 543 | D | 55.2 | Low | 58.6 | Low | 29 Ų | 29 | 72.8 Ų | 72.8 | 16% | 0.155 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -85.9 | -19.4 | -166.9 | -64.1 | 36.1 | 0 | 0 | 0 | 111.8 | W536 S538 S540 S541 F545 D546 | W536-D543 HydrophobicContact CE3-CB 4.3Å; S538-D543 WeakPolarHBondContact CB-OD2 3.29Å; S538-D543 VanDerWaalsContact OG-CG 3.27Å; S538-D543 PolarHBondContact OG-OD2 2.67Å; S540-D543 PolarHBondContact O-N 2.86Å; S540-D543 PolarHBondContact OG-OD1 2.77Å; S541-D543 VanDerWaalsContact C-N 3.27Å; S541-D543 PolarHBondContact O-N 2.82Å; D543-F545 PolarHBondContact O-N 2.98Å; D543-F545 VanDerWaalsContact O-N 3.09Å; D543-D546 PolarHBondContact O-N 2.96Å |
| 544 | K | 58.6 | Low | 61 | Low | 127 Ų | 127 | 71.4 Ų | 71.4 | 55% | 0.552 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57.1 | -24.2 | 169.8 | -74.5 | -167.2 | 176 | -168.3 | 0 | 112.4 | A547 | K544-A547 WeakPolarHBondContact O-CB 3.3Å |
| 545 | F | 61.5 | Low | 63.4 | Low | 81 Ų | 81 | 69.6 Ų | 69.6 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -81.5 | -35.2 | -178.4 | -65 | -97.9 | 0 | 0 | 0 | 112.8 | S541 S542 D543 A547 I548 | S541-F545 WeakPolarHBondContact O-CD2 3.24Å; S541-F545 WeakPolarHBondContact O-CE2 3.26Å; S542-F545 WeakPolarHBondContact O-CB 3.22Å; S542-F545 VanDerWaalsContact O-CD2 3.29Å; S542-F545 WeakPolarHBondContact O-CD2 3.4Å; S542-F545 PolarHBondContact O-N 2.74Å; D543-F545 PolarHBondContact O-N 2.98Å; D543-F545 VanDerWaalsContact O-N 3.09Å; F545-A547 PolarHBondContact O-N 2.88Å; F545-I548 WeakPolarHBondContact O-CB 3.18Å; F545-I548 PolarHBondContact O-N 3.09Å |
| 546 | D | 64.5 | Low | 65.8 | Low | 72 Ų | 72 | 62.1 Ų | 62.1 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.5 | -29.1 | 174.2 | -67.5 | -22 | 0 | 0 | 0 | 111 | W536 D543 I548 H549 N550 | W536-D546 HydrophobicContact CE3-CB 4.22Å; W536-D546 HydrophobicContact CH2-CB 3.8Å; W536-D546 HydrophobicContact CZ2-CB 4.49Å; W536-D546 HydrophobicContact CZ3-CB 3.63Å; D543-D546 PolarHBondContact O-N 2.96Å; D546-I548 VanDerWaalsContact C-N 3.3Å; D546-I548 PolarHBondContact O-N 2.98Å; D546-H549 PolarHBondContact O-N 3.42Å; D546-N550 PolarHBondContact O-N 2.73Å; D546-N550 VanDerWaalsContact O-N 3.12Å; D546-N550 PolarHBondContact O-ND2 3.24Å |
| 547 | A | 70.6 | Confident | 68.4 | Low | 11 Ų | 11 | 59.3 Ų | 59.3 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -36.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K544 F545 N550 V551 | K544-A547 WeakPolarHBondContact O-CB 3.3Å; F545-A547 PolarHBondContact O-N 2.88Å; A547-N550 PolarHBondContact O-N 2.98Å; A547-V551 WeakPolarHBondContact O-CG2 3.38Å; A547-V551 PolarHBondContact O-N 3.05Å |
| 548 | I | 79.5 | Confident | 71.2 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 177.5 | -64.7 | 176.3 | 0 | 0 | 0 | 110.1 | F545 D546 N550 V551 L552 F575 R578 L579 | F545-I548 WeakPolarHBondContact O-CB 3.18Å; F545-I548 PolarHBondContact O-N 3.09Å; D546-I548 VanDerWaalsContact C-N 3.3Å; D546-I548 PolarHBondContact O-N 2.98Å; I548-N550 VanDerWaalsContact C-N 3.27Å; I548-N550 PolarHBondContact O-N 2.93Å; I548-V551 PolarHBondContact O-N 2.99Å; I548-L552 HydrophobicContact CG2-CD1 3.63Å; I548-L552 HydrophobicContact CG2-CG 4.14Å; I548-L552 WeakPolarHBondContact O-CB 3.35Å; I548-L552 VanDerWaalsContact O-CG 3.3Å; I548-L552 WeakPolarHBondContact O-CG 3.33Å; I548-L552 PolarHBondContact O-N 2.97Å; I548-F575 HydrophobicContact CD1-CD2 4.23Å; I548-F575 HydrophobicContact CD1-CE2 4.07Å; I548-F575 HydrophobicContact CG1-CD2 4.01Å; I548-F575 HydrophobicContact CG1-CE2 3.37Å; I548-F575 HydrophobicContact CG1-CZ 4.04Å; I548-R578 HydrophobicContact CD1-CB 3.52Å; I548-L579 HydrophobicContact CG2-CD1 4.21Å |
| 549 | H | 79 | Confident | 74 | Confident | 108 Ų | 108 | 52.4 Ų | 52.4 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 176.9 | -78.5 | -69.4 | 0 | 0 | 0 | 112 | D546 Y553 | D546-H549 PolarHBondContact O-N 3.42Å; H549-Y553 WeakPolarHBondContact O-CB 3.27Å; H549-Y553 PolarHBondContact O-N 3.36Å |
| 550 | N | 77.8 | Confident | 76.6 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 175.6 | -64.9 | -41.8 | 0 | 0 | 0 | 112.6 | W536 D546 A547 I548 Y553 Y554 | W536-N550 WeakPolarHBondContact CZ2-ND2 3.28Å; D546-N550 PolarHBondContact O-N 2.73Å; D546-N550 VanDerWaalsContact O-N 3.12Å; D546-N550 PolarHBondContact O-ND2 3.24Å; A547-N550 PolarHBondContact O-N 2.98Å; I548-N550 VanDerWaalsContact C-N 3.27Å; I548-N550 PolarHBondContact O-N 2.93Å; N550-Y553 VanDerWaalsContact O-CB 3.29Å; N550-Y553 WeakPolarHBondContact O-CB 3.44Å; N550-Y553 PolarHBondContact O-N 2.85Å; N550-Y554 VanDerWaalsContact O-CD2 3.24Å; N550-Y554 WeakPolarHBondContact O-CD2 3.29Å; N550-Y554 WeakPolarHBondContact O-CE2 3.48Å |
| 551 | V | 83.8 | Confident | 79 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -48.4 | 176.5 | 168.4 | 0 | 0 | 0 | 0 | 110.4 | Q430 L525 L527 L531 A547 I548 Y553 Y554 L579 | Q430-V551 PolarHBondContact NE2-O 2.79Å; Q430-V551 PolarHBondContact OE1-O 3.48Å; L525-V551 HydrophobicContact CD1-CG1 4.13Å; L525-V551 HydrophobicContact CD2-CG1 3.81Å; L527-V551 HydrophobicContact CD1-CG2 4.37Å; L531-V551 HydrophobicContact CD2-CG2 4.47Å; A547-V551 WeakPolarHBondContact O-CG2 3.38Å; A547-V551 PolarHBondContact O-N 3.05Å; I548-V551 PolarHBondContact O-N 2.99Å; V551-Y553 PolarHBondContact O-N 3.41Å; V551-Y554 PolarHBondContact O-N 3.07Å; V551-L579 HydrophobicContact CG1-CD1 3.9Å |
| 552 | L | 88.5 | Confident | 81.2 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72 | -9.6 | 179 | -64.7 | 178.3 | 0 | 0 | 0 | 113.3 | R449 I548 Y554 W555 L579 N584 I586 | R449-L552 PolarHBondContact NH1-O 3.32Å; R449-L552 PolarHBondContact NH2-O 3.48Å; I548-L552 HydrophobicContact CG2-CD1 3.63Å; I548-L552 HydrophobicContact CG2-CG 4.14Å; I548-L552 WeakPolarHBondContact O-CB 3.35Å; I548-L552 VanDerWaalsContact O-CG 3.3Å; I548-L552 WeakPolarHBondContact O-CG 3.33Å; I548-L552 PolarHBondContact O-N 2.97Å; L552-Y554 PolarHBondContact O-N 3.36Å; L552-W555 HydrophobicContact CD2-CD2 3.72Å; L552-W555 HydrophobicContact CD2-CE3 4.02Å; L552-W555 HydrophobicContact CD2-CG 4.18Å; L552-W555 HydrophobicContact CD2-CH2 4.36Å; L552-W555 HydrophobicContact CD2-CZ2 4.06Å; L552-W555 HydrophobicContact CD2-CZ3 4.34Å; L552-W555 PolarHBondContact O-N 2.95Å; L552-L579 HydrophobicContact CD2-CD1 3.74Å; L552-L579 HydrophobicContact CG-CD1 4Å; L552-N584 HydrophobicContact CD1-CB 3.7Å; L552-I586 HydrophobicContact CB-CG2 3.76Å; L552-I586 HydrophobicContact CD1-CG2 4.47Å; L552-I586 WeakPolarHBondContact CD1-O 3.41Å; L552-I586 HydrophobicContact CD2-CG2 4.18Å; L552-I586 HydrophobicContact CG-CG2 4.36Å |
| 553 | Y | 85.7 | Confident | 83.4 | Confident | 65 Ų | 65 | 37.1 Ų | 37.1 | 26% | 0.255 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.8 | -35.2 | 175 | -175.3 | -106.8 | 0 | 0 | 0 | 111.7 | R449 W501 P503 H549 N550 V551 | R449-Y553 VanDerWaalsContact NH2-CA 3.34Å; R449-Y553 PolarHBondContact NH2-O 3.29Å; W501-Y553 HydrophobicContact CE3-CE1 4.38Å; W501-Y553 HydrophobicContact CZ3-CD1 4.21Å; W501-Y553 AromaticContact CZ3-CE1 3.77Å; W501-Y553 HydrophobicContact CZ3-CE1 3.77Å; P503-Y553 WeakPolarHBondContact CD-OH 3.43Å; P503-Y553 HydrophobicContact CG-CE1 4.07Å; P503-Y553 HydrophobicContact CG-CE2 4.05Å; H549-Y553 WeakPolarHBondContact O-CB 3.27Å; H549-Y553 PolarHBondContact O-N 3.36Å; N550-Y553 VanDerWaalsContact O-CB 3.29Å; N550-Y553 WeakPolarHBondContact O-CB 3.44Å; N550-Y553 PolarHBondContact O-N 2.85Å; V551-Y553 PolarHBondContact O-N 3.41Å |
| 554 | Y | 89.4 | Confident | 85.3 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 13% | 0.129 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -5.3 | -176.8 | -55.3 | -64.1 | 0 | 0 | 0 | 114.4 | P406 T407 I438 W501 N550 V551 L552 | P406-Y554 WeakPolarHBondContact CB-O 3.43Å; T407-Y554 HydrophobicContact CG2-CD1 3.67Å; T407-Y554 HydrophobicContact CG2-CE1 3.68Å; I438-Y554 HydrophobicContact CD1-CE1 3.58Å; W501-Y554 AromaticContact CH2-CD1 3.97Å; W501-Y554 HydrophobicContact CH2-CD1 3.97Å; W501-Y554 AromaticContact CZ3-CD1 3.8Å; W501-Y554 HydrophobicContact CZ3-CD1 3.8Å; W501-Y554 HydrophobicContact CZ3-CE1 4.13Å; N550-Y554 VanDerWaalsContact O-CD2 3.24Å; N550-Y554 WeakPolarHBondContact O-CD2 3.29Å; N550-Y554 WeakPolarHBondContact O-CE2 3.48Å; V551-Y554 PolarHBondContact O-N 3.07Å; L552-Y554 PolarHBondContact O-N 3.36Å |
| 555 | W | 93.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -73.1 | 139.7 | -178.4 | -77.6 | 34 | 0 | 0 | 0 | 110.9 | L523 L552 V557 I565 L567 I586 Y591 | L523-W555 HydrophobicContact CD2-CB 4.48Å; L523-W555 HydrophobicContact CD2-CD2 3.47Å; L523-W555 VanDerWaalsContact CD2-CD2 3.47Å; L523-W555 HydrophobicContact CD2-CE3 3.75Å; L523-W555 HydrophobicContact CD2-CG 3.83Å; L523-W555 HydrophobicContact CD2-CH2 4.24Å; L523-W555 HydrophobicContact CD2-CZ2 4.01Å; L523-W555 HydrophobicContact CD2-CZ3 4.13Å; L552-W555 HydrophobicContact CD2-CD2 3.72Å; L552-W555 HydrophobicContact CD2-CE3 4.02Å; L552-W555 HydrophobicContact CD2-CG 4.18Å; L552-W555 HydrophobicContact CD2-CH2 4.36Å; L552-W555 HydrophobicContact CD2-CZ2 4.06Å; L552-W555 HydrophobicContact CD2-CZ3 4.34Å; L552-W555 PolarHBondContact O-N 2.95Å; W555-V557 PolarHBondContact O-N 3.31Å; W555-I565 HydrophobicContact CH2-CD1 4.35Å; W555-I565 HydrophobicContact CH2-CG2 4.23Å; W555-I565 HydrophobicContact CZ3-CD1 4.14Å; W555-L567 HydrophobicContact CZ2-CD2 4.23Å; W555-I586 HydrophobicContact CB-CD1 3.94Å; W555-I586 HydrophobicContact CB-CG2 4.15Å; W555-I586 HydrophobicContact CE3-CG1 4.48Å; W555-Y591 AromaticContact CE3-CE2 3.85Å; W555-Y591 HydrophobicContact CE3-CE2 3.85Å; W555-Y591 HydrophobicContact CZ3-CE2 4.02Å |
| 556 | P | 95.4 | Very high | 88.8 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 126.2 | 177.2 | -26.6 | 36.5 | 0 | 0 | 0 | 112.3 | L428 W509 A560 V562 I586 Y591 | L428-P556 HydrophobicContact CD1-CG 3.55Å; W509-P556 HydrophobicContact CZ2-CB 3.8Å; W509-P556 HydrophobicContact CZ2-CG 4.46Å; P556-A560 HydrophobicContact CB-CB 3.52Å; P556-V562 HydrophobicContact CB-CG2 4.29Å; P556-V562 HydrophobicContact CG-CG2 4.28Å; P556-I586 WeakPolarHBondContact O-CD1 3.39Å; P556-Y591 VanDerWaalsContact O-CE1 3.28Å; P556-Y591 WeakPolarHBondContact O-CE1 3.36Å; P556-Y591 PolarHBondContact O-OH 3.42Å |
| 557 | V | 93.7 | Very high | 90.2 | Very high | 38 Ų | 38 | 22.8 Ų | 22.8 | 23% | 0.23 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -71 | 140.2 | 179.7 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | P506 W555 A560 | P506-V557 HydrophobicContact CG-CG1 3.82Å; W555-V557 PolarHBondContact O-N 3.31Å; V557-A560 VanDerWaalsContact O-CB 3.24Å; V557-A560 WeakPolarHBondContact O-CB 3.41Å; V557-A560 PolarHBondContact O-N 3.25Å; V557-A560 VanDerWaalsContact O-N 3.14Å |
| 558 | P | 93.3 | Very high | 91.2 | Very high | 48 Ų | 48 | 23.9 Ų | 23.9 | 31% | 0.312 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 144.8 | 170.3 | -26.3 | 35.6 | 0 | 0 | 0 | 111.4 | P506 | P506-P558 WeakPolarHBondContact CB-O 3.28Š|
| 559 | P | 94.7 | Very high | 91.6 | Very high | 49 Ų | 49 | 23.6 Ų | 23.6 | 32% | 0.318 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.8 | 29.2 | 12.3 | 36 | -35.5 | 0 | 0 | 0 | 115 | W509 R510 I513 | W509-P559 HydrophobicContact CB-CG 4.39Å; R510-P559 HydrophobicContact CG-CG 3.49Å; R510-P559 VanDerWaalsContact CG-CG 3.49Å; I513-P559 HydrophobicContact CD1-CB 4.29Å; I513-P559 HydrophobicContact CD1-CG 4.27Å; I513-P559 WeakPolarHBondContact CD1-O 3.26Å |
| 560 | A | 96 | Very high | 91.7 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | trans | -45.4 | 127.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W509 I521 P556 V557 V562 | W509-A560 HydrophobicContact CD2-CB 3.52Å; W509-A560 HydrophobicContact CE3-CB 3.87Å; W509-A560 HydrophobicContact CG-CB 3.84Å; W509-A560 HydrophobicContact CH2-CB 4.46Å; W509-A560 HydrophobicContact CZ2-CB 4.14Å; W509-A560 HydrophobicContact CZ3-CB 4.34Å; I521-A560 HydrophobicContact CD1-CB 4.15Å; P556-A560 HydrophobicContact CB-CB 3.52Å; V557-A560 VanDerWaalsContact O-CB 3.24Å; V557-A560 WeakPolarHBondContact O-CB 3.41Å; V557-A560 PolarHBondContact O-N 3.25Å; V557-A560 VanDerWaalsContact O-N 3.14Å; A560-V562 HydrophobicContact CB-CG2 4.46Å; A560-V562 PolarHBondContact O-N 3.19Å | ||
| 561 | P | 95.9 | Very high | 91.6 | Very high | 18 Ų | 18 | 18.1 Ų | 18.1 | 12% | 0.117 | 10% | 0.104 | C | C | . | . | trans | -79.4 | 66.9 | -175.2 | 33 | -37.7 | 0 | 0 | 0 | 112.1 | I513 L519 I521 T563 | I513-P561 HydrophobicContact CG1-CG 4.09Å; L519-P561 HydrophobicContact CB-CG 4.38Å; L519-P561 HydrophobicContact CD2-CG 4.26Å; L519-P561 HydrophobicContact CG-CG 4.23Å; L519-P561 WeakPolarHBondContact O-CG 3.4Å; I521-P561 WeakPolarHBondContact CB-O 3.01Å; I521-P561 HydrophobicContact CD1-CG 3.95Å; I521-P561 HydrophobicContact CG1-CG 4.25Å; I521-P561 PolarHBondContact N-O 2.9Å; P561-T563 PolarHBondContact O-N 2.71Å | ||
| 562 | V | 97.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 111.8 | 174.9 | -178 | 0 | 0 | 0 | 0 | 109.4 | I521 L523 P556 A560 I565 Y591 S594 L595 | I521-V562 HydrophobicContact CB-CG2 4.31Å; I521-V562 HydrophobicContact CG2-CG2 4.14Å; I521-V562 CarbonylContact O-C 3.56Å; I521-V562 WeakPolarHBondContact O-CA 3.45Å; L523-V562 HydrophobicContact CB-CG1 4.07Å; P556-V562 HydrophobicContact CB-CG2 4.29Å; P556-V562 HydrophobicContact CG-CG2 4.28Å; A560-V562 HydrophobicContact CB-CG2 4.46Å; A560-V562 PolarHBondContact O-N 3.19Å; V562-I565 HydrophobicContact CG1-CD1 4.34Å; V562-I565 HydrophobicContact CG1-CG1 3.78Å; V562-Y591 HydrophobicContact CB-CD1 3.71Å; V562-Y591 HydrophobicContact CB-CD2 4Å; V562-Y591 HydrophobicContact CB-CE1 4.06Å; V562-Y591 HydrophobicContact CB-CE2 4.31Å; V562-Y591 HydrophobicContact CB-CG 3.65Å; V562-Y591 HydrophobicContact CG1-CD2 4.22Å; V562-Y591 HydrophobicContact CG1-CE2 4.41Å; V562-Y591 HydrophobicContact CG1-CG 4.34Å; V562-Y591 HydrophobicContact CG2-CD1 3.6Å; V562-Y591 HydrophobicContact CG2-CD2 4.34Å; V562-Y591 HydrophobicContact CG2-CE1 3.45Å; V562-Y591 VanDerWaalsContact CG2-CE1 3.45Å; V562-Y591 HydrophobicContact CG2-CE2 4.2Å; V562-Y591 HydrophobicContact CG2-CG 4.03Å; V562-S594 PolarHBondContact N-OG 3.03Å; V562-S594 CarbonylContact O-C 3.54Å; V562-S594 VanDerWaalsContact O-C 3.3Å; V562-S594 WeakPolarHBondContact O-CB 3.42Å; V562-S594 PolarHBondContact O-OG 3.41Å; V562-L595 WeakPolarHBondContact O-CA 3.28Å; V562-L595 PolarHBondContact O-N 3.14Å |
| 563 | T | 96.3 | Very high | 90.5 | Very high | 19 Ų | 19 | 24 Ų | 24 | 12% | 0.117 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -29.6 | -177.7 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | T520 I521 P561 S594 T596 S597 | T520-T563 HydrophobicContact CG2-CG2 3.9Å; I521-T563 PolarHBondContact O-N 3.07Å; I521-T563 PolarHBondContact O-OG1 2.87Å; P561-T563 PolarHBondContact O-N 2.71Å; T563-S594 WeakPolarHBondContact CA-O 3.29Å; T563-T596 PolarHBondContact O-N 3.05Å; T563-T596 PolarHBondContact O-OG1 2.9Å; T563-S597 PolarHBondContact O-N 3.31Å |
| 564 | S | 96.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 142.4 | 173.6 | 75.4 | 0 | 0 | 0 | 0 | 112.9 | I521 H522 L523 S597 | I521-S564 PolarHBondContact O-N 3.35Å; H522-S564 WeakPolarHBondContact CB-OG 3.21Å; H522-S564 PolarHBondContact ND1-OG 2.99Å; L523-S564 PolarHBondContact N-O 2.79Å; S564-S597 CarbonylContact C-O 3.36Å; S564-S597 VanDerWaalsContact CA-O 3.26Å; S564-S597 WeakPolarHBondContact CA-O 3.09Å |
| 565 | I | 97 | Very high | 89.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.2 | 169.3 | -63 | 171 | 0 | 0 | 0 | 108.3 | L523 W555 V562 L567 P588 Y591 L595 S597 L598 I599 | L523-I565 HydrophobicContact CB-CG1 4.38Å; L523-I565 CarbonylContact O-C 3.55Å; L523-I565 WeakPolarHBondContact O-CA 3.5Å; W555-I565 HydrophobicContact CH2-CD1 4.35Å; W555-I565 HydrophobicContact CH2-CG2 4.23Å; W555-I565 HydrophobicContact CZ3-CD1 4.14Å; V562-I565 HydrophobicContact CG1-CD1 4.34Å; V562-I565 HydrophobicContact CG1-CG1 3.78Å; I565-L567 HydrophobicContact CG2-CD1 4.49Å; I565-L567 HydrophobicContact CG2-CD2 3.67Å; I565-L567 HydrophobicContact CG2-CG 3.91Å; I565-P588 HydrophobicContact CD1-CB 3.85Å; I565-P588 HydrophobicContact CD1-CG 4.04Å; I565-Y591 HydrophobicContact CD1-CD2 3.86Å; I565-Y591 HydrophobicContact CD1-CE2 4.07Å; I565-L595 HydrophobicContact CB-CD1 4.33Å; I565-L595 HydrophobicContact CD1-CD1 3.86Å; I565-L595 HydrophobicContact CD1-CD2 4.35Å; I565-L595 HydrophobicContact CG1-CD1 3.76Å; I565-S597 PolarHBondContact N-O 3.12Å; I565-L598 HydrophobicContact CB-CD1 3.92Å; I565-L598 HydrophobicContact CG2-CD1 4.01Å; I565-L598 WeakPolarHBondContact O-CA 3.35Å; I565-I599 PolarHBondContact O-N 3.22Å |
| 566 | T | 95.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.5 | 174.9 | -61.6 | 0 | 0 | 0 | 0 | 108.8 | L523 K524 L525 I568 I599 L754 | L523-T566 PolarHBondContact O-N 2.65Å; K524-T566 CarbonylContact C-O 3.58Å; K524-T566 WeakPolarHBondContact CA-O 3.48Å; K524-T566 HydrophobicContact CG-CG2 4.1Å; L525-T566 PolarHBondContact N-O 3.34Å; T566-I568 HydrophobicContact CG2-CD1 4.2Å; T566-I568 HydrophobicContact CG2-CG1 4.11Å; T566-I599 CarbonylContact C-O 3.3Å; T566-I599 WeakPolarHBondContact CA-O 3.44Å; T566-I599 HydrophobicContact CG2-CB 4.3Å; T566-I599 HydrophobicContact CG2-CG2 4.24Å; T566-L754 HydrophobicContact CG2-CD2 4.35Å |
| 567 | L | 93.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.8 | 179 | -52.8 | -179 | 0 | 0 | 0 | 108.7 | L525 W555 I565 L569 L579 L580 I599 I600 L601 | L525-L567 HydrophobicContact CB-CD2 3.73Å; L525-L567 HydrophobicContact CD2-CD2 3.98Å; L525-L567 HydrophobicContact CG-CD2 4.48Å; W555-L567 HydrophobicContact CZ2-CD2 4.23Å; I565-L567 HydrophobicContact CG2-CD1 4.49Å; I565-L567 HydrophobicContact CG2-CD2 3.67Å; I565-L567 HydrophobicContact CG2-CG 3.91Å; L567-L569 HydrophobicContact CB-CD1 4.45Å; L567-L569 HydrophobicContact CB-CG 4.39Å; L567-L579 HydrophobicContact CD1-CD2 4.39Å; L567-L580 HydrophobicContact CD1-CD1 4.3Å; L567-L580 HydrophobicContact CD1-CD2 3.5Å; L567-L580 VanDerWaalsContact CD1-CD2 3.5Å; L567-L580 HydrophobicContact CD1-CG 4.13Å; L567-I599 PolarHBondContact N-O 3.12Å; L567-I600 HydrophobicContact CD1-CG1 4.47Å; L567-L601 PolarHBondContact O-N 3.02Å |
| 568 | I | 91 | Very high | 88.1 | Confident | 33 Ų | 33 | 27.3 Ų | 27.3 | 17% | 0.169 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 102 | 173.3 | -63 | 171.3 | 0 | 0 | 0 | 106.1 | L525 E526 L527 T566 L601 L754 | L525-I568 PolarHBondContact O-N 3.27Å; E526-I568 CarbonylContact C-O 3.56Å; E526-I568 WeakPolarHBondContact CA-O 3.44Å; E526-I568 HydrophobicContact CG-CB 4.4Å; E526-I568 HydrophobicContact CG-CD1 4.27Å; L527-I568 PolarHBondContact N-O 3.43Å; T566-I568 HydrophobicContact CG2-CD1 4.2Å; T566-I568 HydrophobicContact CG2-CG1 4.11Å; I568-L601 HydrophobicContact CG1-CB 4.26Å; I568-L601 HydrophobicContact CG1-CD2 4.26Å; I568-L601 HydrophobicContact CG2-CD2 4.08Å; I568-L754 HydrophobicContact CD1-CD2 3.77Å; I568-L754 HydrophobicContact CG1-CD2 4.19Å |
| 569 | L | 88 | Confident | 87.7 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 147.9 | -171.8 | -59.7 | 178.6 | 0 | 0 | 0 | 109.9 | L525 L527 L567 F575 M576 L579 L601 L602 E603 | L525-L569 HydrophobicContact CD2-CD2 3.92Å; L525-L569 HydrophobicContact CG-CD2 4.11Å; L527-L569 HydrophobicContact CB-CD2 3.8Å; L527-L569 HydrophobicContact CD1-CD2 3.72Å; L527-L569 HydrophobicContact CG-CD2 3.83Å; L527-L569 CarbonylContact O-C 3.31Å; L527-L569 WeakPolarHBondContact O-CA 3.3Å; L567-L569 HydrophobicContact CB-CD1 4.45Å; L567-L569 HydrophobicContact CB-CG 4.39Å; L569-F575 HydrophobicContact CD1-CD1 4.41Å; L569-F575 HydrophobicContact CD1-CE1 4.35Å; L569-M576 HydrophobicContact CD1-CE 4.18Å; L569-L579 HydrophobicContact CD1-CD2 4.04Å; L569-L601 PolarHBondContact N-O 3.37Å; L569-L602 HydrophobicContact CB-CD1 3.64Å; L569-L602 WeakPolarHBondContact O-CA 3.39Å; L569-E603 PolarHBondContact O-N 3.26Å |
| 570 | T | 81.9 | Confident | 87.5 | Confident | 31 Ų | 31 | 22.8 Ų | 22.8 | 19% | 0.19 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.6 | 161.8 | 60.1 | 0 | 0 | 0 | 0 | 108.7 | L527 V528 E603 | L527-T570 PolarHBondContact O-N 2.93Å; L527-T570 PolarHBondContact O-OG1 3.25Å; V528-T570 PolarHBondContact O-OG1 3.36Å; T570-E603 WeakPolarHBondContact CA-O 3.48Å; T570-E603 HydrophobicContact CG2-CB 4.36Å |
| 571 | G | 74.8 | Confident | 87.2 | Confident | 12 Ų | 12 | 23.4 Ų | 23.4 | 12% | 0.124 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 131.3 | -154.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E603 | G571-E603 PolarHBondContact N-O 2.92Å; G571-E603 VanDerWaalsContact N-O 3.1Å |
| 572 | E | 74.2 | Confident | 86.7 | Confident | 111 Ų | 111 | 25.4 Ų | 25.4 | 52% | 0.519 | 14% | 0.136 | S | C | . | . | trans | -83.4 | 139.1 | -168.3 | -69.4 | -68.2 | 159.8 | 0 | 0 | 113.1 | T574 F575 | E572-T574 PolarHBondContact O-N 3.03Å; E572-T574 VanDerWaalsContact O-N 3.11Å; E572-F575 WeakPolarHBondContact O-CB 3.36Å; E572-F575 PolarHBondContact O-N 3.35Å | ||
| 573 | P | 76.1 | Confident | 86.1 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.5 | -28.5 | 178.3 | -25.4 | 35.2 | 0 | 0 | 0 | 114.1 | F575 M576 A577 L602 S653 | P573-F575 VanDerWaalsContact C-N 3.28Å; P573-F575 PolarHBondContact O-N 2.8Å; P573-M576 PolarHBondContact O-N 2.99Å; P573-A577 PolarHBondContact O-N 3.18Å; P573-L602 HydrophobicContact CB-CD2 4.15Å; P573-L602 HydrophobicContact CG-CD2 3.93Å; P573-S653 VanDerWaalsContact CG-O 3.22Å; P573-S653 WeakPolarHBondContact CG-O 3.22Å |
| 574 | T | 77.3 | Confident | 85.6 | Confident | 52 Ų | 52 | 34.2 Ų | 34.2 | 32% | 0.319 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.3 | -33.6 | 177.9 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | E572 R578 | E572-T574 PolarHBondContact O-N 3.03Å; E572-T574 VanDerWaalsContact O-N 3.11Å; T574-R578 WeakPolarHBondContact O-CG 3.11Å; T574-R578 PolarHBondContact O-N 2.89Å |
| 575 | F | 78.8 | Confident | 85.1 | Confident | 32 Ų | 32 | 36.1 Ų | 36.1 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -46.4 | 175.4 | 176.7 | -95.7 | 0 | 0 | 0 | 110.5 | L531 I548 L569 E572 P573 A577 R578 L579 | L531-F575 HydrophobicContact CD1-CD1 3.72Å; L531-F575 HydrophobicContact CD1-CD2 3.6Å; L531-F575 HydrophobicContact CD1-CE1 3.4Å; L531-F575 VanDerWaalsContact CD1-CE1 3.4Å; L531-F575 HydrophobicContact CD1-CE2 3.26Å; L531-F575 HydrophobicContact CD1-CG 3.82Å; L531-F575 HydrophobicContact CD1-CZ 3.17Å; L531-F575 HydrophobicContact CD2-CZ 4.42Å; L531-F575 HydrophobicContact CG-CZ 4.42Å; I548-F575 HydrophobicContact CD1-CD2 4.23Å; I548-F575 HydrophobicContact CD1-CE2 4.07Å; I548-F575 HydrophobicContact CG1-CD2 4.01Å; I548-F575 HydrophobicContact CG1-CE2 3.37Å; I548-F575 HydrophobicContact CG1-CZ 4.04Å; L569-F575 HydrophobicContact CD1-CD1 4.41Å; L569-F575 HydrophobicContact CD1-CE1 4.35Å; E572-F575 WeakPolarHBondContact O-CB 3.36Å; E572-F575 PolarHBondContact O-N 3.35Å; P573-F575 VanDerWaalsContact C-N 3.28Å; P573-F575 PolarHBondContact O-N 2.8Å; F575-A577 PolarHBondContact O-N 3.33Å; F575-R578 PolarHBondContact O-N 2.9Å; F575-L579 HydrophobicContact CE1-CB 4.28Å; F575-L579 HydrophobicContact CE1-CD2 4.08Å; F575-L579 WeakPolarHBondContact O-CB 3.45Å; F575-L579 PolarHBondContact O-N 2.78Å |
| 576 | M | 83.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 177.9 | 175.8 | -177.9 | -72 | 0 | 0 | 112.3 | L569 P573 R578 L579 L580 I600 L602 L630 V654 | L569-M576 HydrophobicContact CD1-CE 4.18Å; P573-M576 PolarHBondContact O-N 2.99Å; M576-R578 PolarHBondContact O-N 3.42Å; M576-L579 PolarHBondContact O-N 2.81Å; M576-L580 HydrophobicContact CG-CD1 3.93Å; M576-L580 HydrophobicContact CG-CG 4.46Å; M576-L580 WeakPolarHBondContact O-CB 3.5Å; M576-L580 WeakPolarHBondContact O-CG 3.35Å; M576-L580 PolarHBondContact O-N 3.17Å; M576-I600 HydrophobicContact CE-CG2 3.18Å; M576-I600 HydrophobicContact CG-CG2 4.47Å; M576-I600 HydrophobicContact SD-CG2 3.25Å; M576-I600 WeakPolarHBondContact SD-CG2 3.44Å; M576-L602 HydrophobicContact CE-CB 3.56Å; M576-L602 HydrophobicContact CE-CD1 3.98Å; M576-L602 HydrophobicContact CE-CD2 4.06Å; M576-L602 HydrophobicContact CE-CG 4.06Å; M576-L630 HydrophobicContact CG-CD1 4.07Å; M576-L630 HydrophobicContact SD-CD1 4.1Å; M576-L630 HydrophobicContact SD-CD2 4.08Å; M576-V654 HydrophobicContact CE-CG2 4.12Å; M576-V654 HydrophobicContact SD-CG2 4.2Å |
| 577 | A | 84.4 | Confident | 84.5 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -37.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | P573 F575 S581 L630 | P573-A577 PolarHBondContact O-N 3.18Å; F575-A577 PolarHBondContact O-N 3.33Å; A577-S581 PolarHBondContact O-N 2.94Å; A577-S581 VanDerWaalsContact O-N 3.17Å; A577-L630 HydrophobicContact CB-CB 4.35Å |
| 578 | R | 82.9 | Confident | 84.5 | Confident | 120 Ų | 120 | 36.5 Ų | 36.5 | 45% | 0.453 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -75.3 | -40.9 | 176.1 | -74 | -174.6 | 176.6 | 146.3 | -3.8 | 113.6 | I548 T574 F575 M576 L580 S581 N584 | I548-R578 HydrophobicContact CD1-CB 3.52Å; T574-R578 WeakPolarHBondContact O-CG 3.11Å; T574-R578 PolarHBondContact O-N 2.89Å; F575-R578 PolarHBondContact O-N 2.9Å; M576-R578 PolarHBondContact O-N 3.42Å; R578-L580 PolarHBondContact O-N 3Å; R578-S581 WeakPolarHBondContact O-CB 3.39Å; R578-S581 PolarHBondContact O-N 3.06Å; R578-N584 PolarHBondContact O-ND2 3.07Å |
| 579 | L | 85.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -39.5 | 175.5 | 179.6 | 67.6 | 0 | 0 | 0 | 110.9 | L525 I548 V551 L552 L567 L569 F575 M576 S581 N584 | L525-L579 HydrophobicContact CD2-CD2 3.8Å; I548-L579 HydrophobicContact CG2-CD1 4.21Å; V551-L579 HydrophobicContact CG1-CD1 3.9Å; L552-L579 HydrophobicContact CD2-CD1 3.74Å; L552-L579 HydrophobicContact CG-CD1 4Å; L567-L579 HydrophobicContact CD1-CD2 4.39Å; L569-L579 HydrophobicContact CD1-CD2 4.04Å; F575-L579 HydrophobicContact CE1-CB 4.28Å; F575-L579 HydrophobicContact CE1-CD2 4.08Å; F575-L579 WeakPolarHBondContact O-CB 3.45Å; F575-L579 PolarHBondContact O-N 2.78Å; M576-L579 PolarHBondContact O-N 2.81Å; L579-S581 VanDerWaalsContact C-N 3.32Å; L579-N584 PolarHBondContact O-ND2 2.87Å |
| 580 | L | 89.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2 | 179 | -64.9 | -177.9 | 0 | 0 | 0 | 114 | L567 M576 R578 P588 I600 L630 V633 | L567-L580 HydrophobicContact CD1-CD1 4.3Å; L567-L580 HydrophobicContact CD1-CD2 3.5Å; L567-L580 VanDerWaalsContact CD1-CD2 3.5Å; L567-L580 HydrophobicContact CD1-CG 4.13Å; M576-L580 HydrophobicContact CG-CD1 3.93Å; M576-L580 HydrophobicContact CG-CG 4.46Å; M576-L580 WeakPolarHBondContact O-CB 3.5Å; M576-L580 WeakPolarHBondContact O-CG 3.35Å; M576-L580 PolarHBondContact O-N 3.17Å; R578-L580 PolarHBondContact O-N 3Å; L580-P588 HydrophobicContact CD2-CG 3.64Å; L580-I600 HydrophobicContact CD1-CD1 3.63Å; L580-L630 HydrophobicContact CD1-CD1 4.21Å; L580-V633 HydrophobicContact CB-CG1 3.55Å; L580-V633 VanDerWaalsContact O-CG1 3.28Å; L580-V633 WeakPolarHBondContact O-CG1 3.43Å |
| 581 | S | 88.9 | Confident | 85.4 | Confident | 16 Ų | 16 | 37.2 Ų | 37.2 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | trans | -60.9 | 135.2 | -172.9 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | A577 R578 L579 Q583 N584 N587 | A577-S581 PolarHBondContact O-N 2.94Å; A577-S581 VanDerWaalsContact O-N 3.17Å; R578-S581 WeakPolarHBondContact O-CB 3.39Å; R578-S581 PolarHBondContact O-N 3.06Å; L579-S581 VanDerWaalsContact C-N 3.32Å; S581-Q583 PolarHBondContact O-N 3.1Å; S581-Q583 VanDerWaalsContact O-N 3.1Å; S581-Q583 WeakPolarHBondContact OG-CB 3.2Å; S581-Q583 PolarHBondContact OG-N 3.36Å; S581-N584 PolarHBondContact O-N 3.36Å; S581-N584 VanDerWaalsContact O-N 3.12Å; S581-N587 WeakPolarHBondContact O-CB 3.39Å | ||
| 582 | P | 85.7 | Confident | 86.3 | Confident | 60 Ų | 60 | 38.2 Ų | 38.2 | 39% | 0.39 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.5 | 173.6 | 27.7 | -35.5 | 0 | 0 | 0 | 113.1 | N584 N587 I589 | P582-N584 VanDerWaalsContact C-N 3.28Å; P582-N587 PolarHBondContact O-ND2 3.03Å; P582-I589 HydrophobicContact CB-CD1 3.97Å |
| 583 | Q | 84.8 | Confident | 87.1 | Confident | 178 Ų | 178 | 41 Ų | 41 | 83% | 0.832 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -17.6 | 176.7 | -60.8 | 177.9 | -3.2 | 0 | 0 | 113 | S581 | S581-Q583 PolarHBondContact O-N 3.1Å; S581-Q583 VanDerWaalsContact O-N 3.1Å; S581-Q583 WeakPolarHBondContact OG-CB 3.2Å; S581-Q583 PolarHBondContact OG-N 3.36Å |
| 584 | N | 86.8 | Confident | 87.9 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -71.1 | 142.1 | 177.9 | -65 | -26.6 | 0 | 0 | 0 | 110.4 | L552 R578 L579 S581 P582 I586 N587 | L552-N584 HydrophobicContact CD1-CB 3.7Å; R578-N584 PolarHBondContact O-ND2 3.07Å; L579-N584 PolarHBondContact O-ND2 2.87Å; S581-N584 PolarHBondContact O-N 3.36Å; S581-N584 VanDerWaalsContact O-N 3.12Å; P582-N584 VanDerWaalsContact C-N 3.28Å; N584-I586 WeakPolarHBondContact CB-O 3.16Å; N584-I586 PolarHBondContact O-N 2.87Å; N584-N587 HydrophobicContact CB-CB 4.4Å; N584-N587 PolarHBondContact O-ND2 3.18Å |
| 585 | A | 84.5 | Confident | 88.8 | Confident | 43 Ų | 43 | 38.7 Ų | 38.7 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -48.5 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I451 | I451-A585 HydrophobicContact CD1-CB 3.85Å; I451-A585 WeakPolarHBondContact CD1-O 3.19Å |
| 586 | I | 89.8 | Confident | 89.5 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -135.7 | 135.6 | 171.6 | -164.2 | 164.9 | 0 | 0 | 0 | 109.2 | L552 W555 P556 N584 Y591 | L552-I586 HydrophobicContact CB-CG2 3.76Å; L552-I586 HydrophobicContact CD1-CG2 4.47Å; L552-I586 WeakPolarHBondContact CD1-O 3.41Å; L552-I586 HydrophobicContact CD2-CG2 4.18Å; L552-I586 HydrophobicContact CG-CG2 4.36Å; W555-I586 HydrophobicContact CB-CD1 3.94Å; W555-I586 HydrophobicContact CB-CG2 4.15Å; W555-I586 HydrophobicContact CE3-CG1 4.48Å; P556-I586 WeakPolarHBondContact O-CD1 3.39Å; N584-I586 WeakPolarHBondContact CB-O 3.16Å; N584-I586 PolarHBondContact O-N 2.87Å; I586-Y591 HydrophobicContact CD1-CE1 4.47Å; I586-Y591 VanDerWaalsContact CD1-OH 3.3Å; I586-Y591 WeakPolarHBondContact CD1-OH 3.41Å |
| 587 | N | 91.7 | Very high | 90.1 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | trans | -157 | 176.2 | -177 | 61.8 | 62.9 | 0 | 0 | 0 | 108.7 | S581 P582 N584 I589 S590 | S581-N587 WeakPolarHBondContact O-CB 3.39Å; P582-N587 PolarHBondContact O-ND2 3.03Å; N584-N587 HydrophobicContact CB-CB 4.4Å; N584-N587 PolarHBondContact O-ND2 3.18Å; N587-I589 PolarHBondContact O-N 3.3Å; N587-I589 WeakPolarHBondContact OD1-CA 3.49Å; N587-I589 WeakPolarHBondContact OD1-CB 3.26Å; N587-I589 PolarHBondContact OD1-N 3.03Å; N587-S590 PolarHBondContact N-OG 2.85Å; N587-S590 WeakPolarHBondContact O-CB 3.18Å; N587-S590 PolarHBondContact O-N 3.44Å; N587-S590 PolarHBondContact O-OG 3.33Å; N587-S590 VanDerWaalsContact O-OG 3.1Å; N587-S590 PolarHBondContact OD1-N 3.1Å | ||
| 588 | P | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -58.5 | -29.9 | -179.4 | -27.5 | 35.7 | 0 | 0 | 0 | 115.1 | I565 L580 S590 Y591 L595 L637 | I565-P588 HydrophobicContact CD1-CB 3.85Å; I565-P588 HydrophobicContact CD1-CG 4.04Å; L580-P588 HydrophobicContact CD2-CG 3.64Å; P588-S590 PolarHBondContact O-N 3Å; P588-Y591 PolarHBondContact O-N 3.31Å; P588-L595 HydrophobicContact CB-CD2 3.98Å; P588-L637 HydrophobicContact CB-CD1 3.66Å; P588-L637 HydrophobicContact CB-CG 4.24Å; P588-L637 HydrophobicContact CG-CD1 3.89Å |
| 589 | I | 92.4 | Very high | 91.2 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 21% | 0.205 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -67.1 | -27.1 | 178.5 | -55.8 | 177.1 | 0 | 0 | 0 | 111 | P582 N587 Y591 S592 L637 A640 | P582-I589 HydrophobicContact CB-CD1 3.97Å; N587-I589 PolarHBondContact O-N 3.3Å; N587-I589 WeakPolarHBondContact OD1-CA 3.49Å; N587-I589 WeakPolarHBondContact OD1-CB 3.26Å; N587-I589 PolarHBondContact OD1-N 3.03Å; I589-Y591 PolarHBondContact O-N 2.98Å; I589-S592 WeakPolarHBondContact O-CB 3.08Å; I589-S592 PolarHBondContact O-N 3.28Å; I589-S592 PolarHBondContact O-OG 2.91Å; I589-L637 HydrophobicContact CG1-CB 4.49Å; I589-L637 HydrophobicContact CG1-CG 4.43Å; I589-A640 HydrophobicContact CB-CB 4.32Å; I589-A640 HydrophobicContact CD1-CB 3.94Å; I589-A640 HydrophobicContact CG1-CB 3.99Å; I589-A640 HydrophobicContact CG2-CB 3.47Å; I589-A640 VanDerWaalsContact CG2-CB 3.47Å |
| 590 | S | 93.7 | Very high | 91.6 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -56.2 | -21.2 | 171.4 | -50.4 | 0 | 0 | 0 | 0 | 112.8 | N587 P588 | N587-S590 PolarHBondContact N-OG 2.85Å; N587-S590 WeakPolarHBondContact O-CB 3.18Å; N587-S590 PolarHBondContact O-N 3.44Å; N587-S590 PolarHBondContact O-OG 3.33Å; N587-S590 VanDerWaalsContact O-OG 3.1Å; N587-S590 PolarHBondContact OD1-N 3.1Å; P588-S590 PolarHBondContact O-N 3Å |
| 591 | Y | 95.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -110.8 | 21 | 177 | -42.8 | -69.1 | 0 | 0 | 0 | 113.1 | W555 P556 V562 I565 I586 P588 I589 Q593 S594 L595 | W555-Y591 AromaticContact CE3-CE2 3.85Å; W555-Y591 HydrophobicContact CE3-CE2 3.85Å; W555-Y591 HydrophobicContact CZ3-CE2 4.02Å; P556-Y591 VanDerWaalsContact O-CE1 3.28Å; P556-Y591 WeakPolarHBondContact O-CE1 3.36Å; P556-Y591 PolarHBondContact O-OH 3.42Å; V562-Y591 HydrophobicContact CB-CD1 3.71Å; V562-Y591 HydrophobicContact CB-CD2 4Å; V562-Y591 HydrophobicContact CB-CE1 4.06Å; V562-Y591 HydrophobicContact CB-CE2 4.31Å; V562-Y591 HydrophobicContact CB-CG 3.65Å; V562-Y591 HydrophobicContact CG1-CD2 4.22Å; V562-Y591 HydrophobicContact CG1-CE2 4.41Å; V562-Y591 HydrophobicContact CG1-CG 4.34Å; V562-Y591 HydrophobicContact CG2-CD1 3.6Å; V562-Y591 HydrophobicContact CG2-CD2 4.34Å; V562-Y591 HydrophobicContact CG2-CE1 3.45Å; V562-Y591 VanDerWaalsContact CG2-CE1 3.45Å; V562-Y591 HydrophobicContact CG2-CE2 4.2Å; V562-Y591 HydrophobicContact CG2-CG 4.03Å; I565-Y591 HydrophobicContact CD1-CD2 3.86Å; I565-Y591 HydrophobicContact CD1-CE2 4.07Å; I586-Y591 HydrophobicContact CD1-CE1 4.47Å; I586-Y591 VanDerWaalsContact CD1-OH 3.3Å; I586-Y591 WeakPolarHBondContact CD1-OH 3.41Å; P588-Y591 PolarHBondContact O-N 3.31Å; I589-Y591 PolarHBondContact O-N 2.98Å; Y591-Q593 PolarHBondContact O-N 2.95Å; Y591-S594 PolarHBondContact O-N 3.05Å; Y591-S594 PolarHBondContact O-OG 3.32Å; Y591-L595 VanDerWaalsContact O-CB 3.29Å; Y591-L595 WeakPolarHBondContact O-CB 3.44Å; Y591-L595 PolarHBondContact O-N 3.06Å |
| 592 | S | 92.6 | Very high | 91.6 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -29.5 | -176.3 | 46.5 | 0 | 0 | 0 | 0 | 115.2 | I589 A640 | I589-S592 WeakPolarHBondContact O-CB 3.08Å; I589-S592 PolarHBondContact O-N 3.28Å; I589-S592 PolarHBondContact O-OG 2.91Å; S592-A640 WeakPolarHBondContact CB-O 3.45Å |
| 593 | Q | 90.2 | Very high | 91.5 | Very high | 168 Ų | 168 | 33 Ų | 33 | 79% | 0.785 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -27.8 | 178.8 | -64.7 | -176.5 | -7.7 | 0 | 0 | 113.8 | Y591 H643 | Y591-Q593 PolarHBondContact O-N 2.95Å; Q593-H643 PolarHBondContact O-CD2 2.92Å; Q593-H643 VanDerWaalsContact O-CD2 3.25Å |
| 594 | S | 93.6 | Very high | 91 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -22.8 | -174.7 | 57.9 | 0 | 0 | 0 | 0 | 114 | V562 T563 Y591 T596 | V562-S594 PolarHBondContact N-OG 3.03Å; V562-S594 CarbonylContact O-C 3.54Å; V562-S594 VanDerWaalsContact O-C 3.3Å; V562-S594 WeakPolarHBondContact O-CB 3.42Å; V562-S594 PolarHBondContact O-OG 3.41Å; T563-S594 WeakPolarHBondContact CA-O 3.29Å; Y591-S594 PolarHBondContact O-N 3.05Å; Y591-S594 PolarHBondContact O-OG 3.32Å; S594-T596 PolarHBondContact O-N 3.48Å |
| 595 | L | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -69 | 112.9 | -171.8 | -172.8 | 69.4 | 0 | 0 | 0 | 111.8 | V562 I565 P588 Y591 S597 H643 L644 | V562-L595 WeakPolarHBondContact O-CA 3.28Å; V562-L595 PolarHBondContact O-N 3.14Å; I565-L595 HydrophobicContact CB-CD1 4.33Å; I565-L595 HydrophobicContact CD1-CD1 3.86Å; I565-L595 HydrophobicContact CD1-CD2 4.35Å; I565-L595 HydrophobicContact CG1-CD1 3.76Å; P588-L595 HydrophobicContact CB-CD2 3.98Å; Y591-L595 VanDerWaalsContact O-CB 3.29Å; Y591-L595 WeakPolarHBondContact O-CB 3.44Å; Y591-L595 PolarHBondContact O-N 3.06Å; L595-S597 WeakPolarHBondContact CD1-O 3.16Å; L595-H643 CarbonylContact O-C 3.58Å; L595-L644 HydrophobicContact CD2-CD1 4.34Å; L595-L644 HydrophobicContact CG-CD1 4.19Å; L595-L644 PolarHBondContact O-N 3.04Å | ||
| 596 | T | 94.5 | Very high | 88.4 | Confident | 47 Ų | 47 | 35.5 Ų | 35.5 | 29% | 0.288 | 19% | 0.186 | S | C | . | . | trans | -106 | -22.4 | 177.8 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | T563 S594 H643 N645 L646 | T563-T596 PolarHBondContact O-N 3.05Å; T563-T596 PolarHBondContact O-OG1 2.9Å; S594-T596 PolarHBondContact O-N 3.48Å; T596-H643 WeakPolarHBondContact CA-O 3.15Å; T596-N645 PolarHBondContact O-N 2.83Å; T596-L646 PolarHBondContact O-N 3.27Å | ||
| 597 | S | 95.5 | Very high | 86.2 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 131.2 | -174.1 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | T563 S564 I565 L595 L646 | T563-S597 PolarHBondContact O-N 3.31Å; S564-S597 CarbonylContact C-O 3.36Å; S564-S597 VanDerWaalsContact CA-O 3.26Å; S564-S597 WeakPolarHBondContact CA-O 3.09Å; I565-S597 PolarHBondContact N-O 3.12Å; L595-S597 WeakPolarHBondContact CD1-O 3.16Å; S597-L646 WeakPolarHBondContact CA-O 3.29Å |
| 598 | L | 95.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120.3 | 174.3 | 179 | 63.6 | 0 | 0 | 0 | 109.3 | I565 I600 L637 L644 L646 L647 A648 | I565-L598 HydrophobicContact CB-CD1 3.92Å; I565-L598 HydrophobicContact CG2-CD1 4.01Å; I565-L598 WeakPolarHBondContact O-CA 3.35Å; L598-I600 HydrophobicContact CD1-CD1 4.43Å; L598-I600 HydrophobicContact CD1-CG1 4.23Å; L598-I600 HydrophobicContact CD2-CD1 4.11Å; L598-I600 HydrophobicContact CG-CD1 4.14Å; L598-I600 HydrophobicContact CG-CG1 4.14Å; L598-L637 HydrophobicContact CD2-CD1 3.51Å; L598-L637 HydrophobicContact CD2-CD2 3.85Å; L598-L637 HydrophobicContact CD2-CG 4.37Å; L598-L644 HydrophobicContact CB-CD1 3.83Å; L598-L646 PolarHBondContact N-O 2.89Å; L598-L647 HydrophobicContact CB-CD1 4.17Å; L598-L647 HydrophobicContact CD2-CD1 3.99Å; L598-L647 HydrophobicContact CG-CD1 4.16Å; L598-L647 WeakPolarHBondContact O-CA 3.43Å; L598-A648 PolarHBondContact O-N 3.07Å |
| 599 | I | 95.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.5 | -176.8 | -59.9 | 163.6 | 0 | 0 | 0 | 107.7 | I565 T566 L567 L646 A648 L750 Y753 L754 | I565-I599 PolarHBondContact O-N 3.22Å; T566-I599 CarbonylContact C-O 3.3Å; T566-I599 WeakPolarHBondContact CA-O 3.44Å; T566-I599 HydrophobicContact CG2-CB 4.3Å; T566-I599 HydrophobicContact CG2-CG2 4.24Å; L567-I599 PolarHBondContact N-O 3.12Å; I599-L646 HydrophobicContact CD1-CD2 4.31Å; I599-L646 HydrophobicContact CG1-CD2 4.48Å; I599-A648 WeakPolarHBondContact CA-O 3.44Å; I599-A648 HydrophobicContact CB-CB 4.39Å; I599-A648 HydrophobicContact CG1-CB 4.05Å; I599-A648 HydrophobicContact CG2-CB 4.18Å; I599-L750 HydrophobicContact CD1-CD2 4.11Å; I599-L750 HydrophobicContact CG1-CD2 4.42Å; I599-L750 HydrophobicContact CG2-CD1 4.18Å; I599-Y753 HydrophobicContact CD1-CD1 3.31Å; I599-Y753 HydrophobicContact CD1-CD2 3.68Å; I599-Y753 HydrophobicContact CD1-CE1 3.97Å; I599-Y753 HydrophobicContact CD1-CE2 4.29Å; I599-Y753 HydrophobicContact CD1-CG 3.13Å; I599-L754 HydrophobicContact CG2-CD2 4.39Å |
| 600 | I | 93.5 | Very high | 78.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 119.8 | -174.5 | -61.4 | 178.1 | 0 | 0 | 0 | 107.9 | L567 M576 L580 L598 L634 A648 L649 G650 V654 | L567-I600 HydrophobicContact CD1-CG1 4.47Å; M576-I600 HydrophobicContact CE-CG2 3.18Å; M576-I600 HydrophobicContact CG-CG2 4.47Å; M576-I600 HydrophobicContact SD-CG2 3.25Å; M576-I600 WeakPolarHBondContact SD-CG2 3.44Å; L580-I600 HydrophobicContact CD1-CD1 3.63Å; L598-I600 HydrophobicContact CD1-CD1 4.43Å; L598-I600 HydrophobicContact CD1-CG1 4.23Å; L598-I600 HydrophobicContact CD2-CD1 4.11Å; L598-I600 HydrophobicContact CG-CD1 4.14Å; L598-I600 HydrophobicContact CG-CG1 4.14Å; I600-L634 HydrophobicContact CD1-CD2 4.16Å; I600-A648 PolarHBondContact N-O 3.09Å; I600-L649 HydrophobicContact CB-CD2 3.84Å; I600-L649 HydrophobicContact CD1-CD2 3.85Å; I600-L649 HydrophobicContact CG1-CD2 4.21Å; I600-L649 HydrophobicContact CG2-CD2 4.45Å; I600-L649 CarbonylContact O-C 3.53Å; I600-L649 WeakPolarHBondContact O-CA 3.44Å; I600-G650 PolarHBondContact O-N 2.81Å; I600-V654 HydrophobicContact CG2-CG2 4.14Å |
| 601 | L | 90.9 | Very high | 75.1 | Confident | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 115.5 | 174.8 | -171.2 | 78.1 | 0 | 0 | 0 | 107.9 | L567 I568 L569 G650 F746 | L567-L601 PolarHBondContact O-N 3.02Å; I568-L601 HydrophobicContact CG1-CB 4.26Å; I568-L601 HydrophobicContact CG1-CD2 4.26Å; I568-L601 HydrophobicContact CG2-CD2 4.08Å; L569-L601 PolarHBondContact N-O 3.37Å; L601-G650 WeakPolarHBondContact CA-O 3.12Å; L601-F746 HydrophobicContact CD1-CE1 3.95Å |
| 602 | L | 88 | Confident | 71.9 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113.2 | 173.7 | -167.4 | 63 | 0 | 0 | 0 | 110.5 | L569 P573 M576 G650 G651 S652 S653 V654 | L569-L602 HydrophobicContact CB-CD1 3.64Å; L569-L602 WeakPolarHBondContact O-CA 3.39Å; P573-L602 HydrophobicContact CB-CD2 4.15Å; P573-L602 HydrophobicContact CG-CD2 3.93Å; M576-L602 HydrophobicContact CE-CB 3.56Å; M576-L602 HydrophobicContact CE-CD1 3.98Å; M576-L602 HydrophobicContact CE-CD2 4.06Å; M576-L602 HydrophobicContact CE-CG 4.06Å; L602-G650 PolarHBondContact N-O 2.95Å; L602-G650 VanDerWaalsContact N-O 3.16Å; L602-G651 CarbonylContact O-C 3.53Å; L602-G651 VanDerWaalsContact O-C 3.31Å; L602-G651 WeakPolarHBondContact O-CA 3.22Å; L602-S652 PolarHBondContact O-N 2.84Å; L602-S652 VanDerWaalsContact O-N 3.1Å; L602-S653 PolarHBondContact O-N 2.93Å; L602-V654 HydrophobicContact CB-CB 4.47Å; L602-V654 HydrophobicContact CB-CG2 3.27Å; L602-V654 HydrophobicContact CD2-CG2 4.46Å |
| 603 | E | 85 | Confident | 68.8 | Low | 55 Ų | 55 | 72 Ų | 72 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 142.9 | 175 | -66.3 | -63.7 | 174.7 | 0 | 0 | 112 | L569 T570 G571 G651 S652 | L569-E603 PolarHBondContact O-N 3.26Å; T570-E603 WeakPolarHBondContact CA-O 3.48Å; T570-E603 HydrophobicContact CG2-CB 4.36Å; G571-E603 PolarHBondContact N-O 2.92Å; G571-E603 VanDerWaalsContact N-O 3.1Å; E603-G651 WeakPolarHBondContact OE1-CA 3.2Å; E603-S652 WeakPolarHBondContact OE2-CB 3.43Å; E603-S652 PolarHBondContact OE2-N 2.77Å; E603-S652 VanDerWaalsContact OE2-N 3.13Å; E603-S652 PolarHBondContact OE2-OG 2.86Å |
| 604 | R | 73.2 | Confident | 65.8 | Low | 167 Ų | 167 | 68.6 Ų | 68.6 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 140.3 | 172.4 | -154.6 | 170.3 | -179.3 | 163 | 2.1 | 109.7 | P606 S652 S653 | R604-P606 WeakPolarHBondContact O-CD 3.34Å; R604-S652 PolarHBondContact N-OG 2.8Å; R604-S653 WeakPolarHBondContact CA-OG 3.34Å; R604-S653 WeakPolarHBondContact CB-OG 3.39Å; R604-S653 PolarHBondContact N-OG 2.7Å |
| 605 | V | 64.2 | Low | 62.6 | Low | 47 Ų | 47 | 74.5 Ų | 74.5 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -64 | 125.8 | 170.7 | -176.1 | 0 | 0 | 0 | 0 | 109 | S607 L609 | V605-S607 PolarHBondContact O-N 3.43Å; V605-L609 HydrophobicContact CG1-CD1 4.49Å |
| 606 | P | 53.4 | Low | 59.4 | Low | 86 Ų | 86 | 82.8 Ų | 82.8 | 56% | 0.558 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 128.1 | 174.2 | -20.2 | 30.8 | 0 | 0 | 0 | 110.4 | R604 E608 L609 | R604-P606 WeakPolarHBondContact O-CD 3.34Å; P606-E608 PolarHBondContact O-N 3.18Å; P606-L609 PolarHBondContact O-N 2.83Å |
| 607 | S | 43.9 | Very low | 56.1 | Low | 100 Ų | 100 | 89.3 Ų | 89.3 | 70% | 0.699 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -55.7 | -18.6 | -177.3 | -47.7 | 0 | 0 | 0 | 0 | 114.4 | V605 L609 N610 | V605-S607 PolarHBondContact O-N 3.43Å; S607-L609 PolarHBondContact O-N 3.5Å; S607-N610 PolarHBondContact O-N 2.98Å |
| 608 | E | 39.6 | Very low | 52.8 | Low | 174 Ų | 174 | 96.6 Ų | 96.6 | 81% | 0.813 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -64.9 | -19.1 | -180 | -62.1 | -168.2 | 167.5 | 0 | 0 | 113.8 | P606 | P606-E608 PolarHBondContact O-N 3.18Š|
| 609 | L | 39.8 | Very low | 49.5 | Very low | 137 Ų | 137 | 103.5 Ų | 103.5 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -83.6 | -10.6 | 173.9 | -74 | 164.1 | 0 | 0 | 0 | 113.6 | V605 P606 S607 I611 | V605-L609 HydrophobicContact CG1-CD1 4.49Å; P606-L609 PolarHBondContact O-N 2.83Å; S607-L609 PolarHBondContact O-N 3.5Å; L609-I611 PolarHBondContact O-N 3.47Å |
| 610 | N | 28.1 | Very low | 46.3 | Very low | 122 Ų | 122 | 112.7 Ų | 112.7 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | trans | -92.9 | 58.5 | 175.9 | -78.3 | -18.7 | 0 | 0 | 0 | 111.6 | S607 S612 | S607-N610 PolarHBondContact O-N 2.98Å; N610-S612 PolarHBondContact O-N 2.48Å | ||
| 611 | I | 28.4 | Very low | 43.2 | Very low | 159 Ų | 159 | 117.7 Ų | 117.7 | 82% | 0.815 | 64% | 0.64 | S | S | * | * | trans | -81.3 | 59.5 | 163.7 | -47.7 | 177.5 | 0 | 0 | 0 | 108.9 | L609 | L609-I611 PolarHBondContact O-N 3.47Š| ||
| 612 | S | 28.9 | Very low | 40.1 | Very low | 98 Ų | 98 | 122 Ų | 122 | 69% | 0.685 | 67% | 0.67 | S | S | * | * | trans | -172.5 | 85.6 | 162.6 | 57 | 0 | 0 | 0 | 0 | 110.4 | N610 | N610-S612 PolarHBondContact O-N 2.48Š| ||
| 613 | S | 26.9 | Very low | 37.3 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | 164.2 | 108 | 135.1 | 56.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 614 | S | 27.3 | Very low | 34.8 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | trans | 10.5 | 121.6 | 147.4 | 46.7 | 0 | 0 | 0 | 0 | 117.8 | E616 | S614-E616 PolarHBondContact O-N 2.85Š| ||
| 615 | T | 26.4 | Very low | 33 | Very low | 149 Ų | 149 | 132 Ų | 132 | 91% | 0.914 | 73% | 0.729 | S | S | * | * | trans | -29.8 | 91.6 | 150.3 | 38.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 616 | E | 27.9 | Very low | 32 | Very low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -94.8 | 124.7 | 153.9 | -77.5 | -167.5 | 162.9 | 0 | 0 | 107.9 | S614 L618 | S614-E616 PolarHBondContact O-N 2.85Å; E616-L618 PolarHBondContact O-N 2.87Å | ||
| 617 | Q | 26 | Very low | 31.7 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | trans | -54.5 | 124.9 | -177.9 | -70.2 | 169.5 | -22.8 | 0 | 0 | 109.6 | N619 | Q617-N619 VanDerWaalsContact C-N 3.31Å; Q617-N619 PolarHBondContact O-N 2.83Å | ||
| 618 | L | 26.7 | Very low | 32.1 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 85% | 0.853 | 70% | 0.699 | S | S | * | * | trans | -53.9 | 90.4 | 172.6 | -75 | 154.7 | 0 | 0 | 0 | 110 | E616 E620 | E616-L618 PolarHBondContact O-N 2.87Å; L618-E620 PolarHBondContact O-N 3.06Å | ||
| 619 | N | 25.7 | Very low | 33.8 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 78% | 0.775 | 68% | 0.677 | S | S | * | * | trans | -76 | 112.1 | 160.5 | -86.3 | -21.7 | 0 | 0 | 0 | 107.6 | Q617 S621 | Q617-N619 VanDerWaalsContact C-N 3.31Å; Q617-N619 PolarHBondContact O-N 2.83Å; N619-S621 PolarHBondContact O-N 3.28Å | ||
| 620 | E | 29.4 | Very low | 35.8 | Very low | 193 Ų | 193 | 117.2 Ų | 117.2 | 90% | 0.902 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -70.7 | 28.5 | -167.6 | -115.6 | 177.4 | 175.4 | 0 | 0 | 116.1 | L618 | L618-E620 PolarHBondContact O-N 3.06Š|
| 621 | S | 26.9 | Very low | 38.5 | Very low | 104 Ų | 104 | 111.4 Ų | 111.4 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | trans | -117.3 | 14.8 | -170.4 | 63.9 | 0 | 0 | 0 | 0 | 117 | N619 | N619-S621 PolarHBondContact O-N 3.28Š| ||
| 622 | C | 25.6 | Very low | 41.2 | Very low | 103 Ų | 103 | 107.8 Ų | 107.8 | 70% | 0.696 | 59% | 0.593 | S | S | * | * | trans | -127.4 | 30.4 | -179.4 | -81.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 623 | K | 30.6 | Very low | 44 | Very low | 182 Ų | 182 | 103.8 Ų | 103.8 | 79% | 0.791 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -88.8 | -12.8 | 178.2 | -81.1 | -172 | 176.8 | 175.9 | 0 | 116.2 | ||
| 624 | D | 32.8 | Very low | 46.9 | Very low | 119 Ų | 119 | 98.7 Ų | 98.7 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -94.5 | -23.1 | -165.4 | -66.8 | -23 | 0 | 0 | 0 | 115.7 | H626 Y628 | D624-H626 PolarHBondContact O-N 3.21Å; D624-Y628 WeakPolarHBondContact O-CD2 3.4Å; D624-Y628 WeakPolarHBondContact O-CE2 3.47Å; D624-Y628 VanDerWaalsContact O-CZ 3.29Å |
| 625 | N | 34.1 | Very low | 49.7 | Very low | 132 Ų | 132 | 95.2 Ų | 95.2 | 71% | 0.706 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -84.1 | -6.9 | -170.4 | -79.5 | -14 | 0 | 0 | 0 | 116.6 | ||
| 626 | H | 44.3 | Very low | 52.6 | Low | 108 Ų | 108 | 91.3 Ų | 91.3 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -90.5 | -25.3 | -164.7 | -66.7 | -60.5 | 0 | 0 | 0 | 115.7 | D624 | D624-H626 PolarHBondContact O-N 3.21Š|
| 627 | S | 46.5 | Very low | 55.4 | Low | 23 Ų | 23 | 83 Ų | 83 | 16% | 0.161 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -78.8 | -27.8 | 179.2 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | G629 L630 | S627-G629 PolarHBondContact O-N 3.38Å; S627-L630 PolarHBondContact O-N 3.21Å |
| 628 | Y | 52.3 | Low | 58.4 | Low | 62 Ų | 62 | 74.6 Ų | 74.6 | 24% | 0.243 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.8 | -25.9 | -167.7 | -60.3 | -48.3 | 0 | 0 | 0 | 115.7 | D624 H632 V697 P699 | D624-Y628 WeakPolarHBondContact O-CD2 3.4Å; D624-Y628 WeakPolarHBondContact O-CE2 3.47Å; D624-Y628 VanDerWaalsContact O-CZ 3.29Å; Y628-H632 PolarHBondContact O-CD2 3.09Å; Y628-H632 VanDerWaalsContact O-CD2 3.23Å; Y628-V697 WeakPolarHBondContact CE1-O 3.42Å; Y628-P699 HydrophobicContact CD1-CB 3.52Å; Y628-P699 HydrophobicContact CD1-CG 3.88Å; Y628-P699 HydrophobicContact CE1-CB 4.34Å; Y628-P699 HydrophobicContact CG-CB 4.25Å |
| 629 | G | 74.4 | Confident | 61.2 | Low | 35 Ų | 35 | 72.3 Ų | 72.3 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S627 V633 | S627-G629 PolarHBondContact O-N 3.38Å; G629-V633 VanDerWaalsContact O-CG2 3.29Å; G629-V633 WeakPolarHBondContact O-CG2 3.28Å; G629-V633 PolarHBondContact O-N 3.03Å |
| 630 | L | 82.4 | Confident | 64.2 | Low | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76.1 | -36.7 | -172 | -172.7 | 65 | 0 | 0 | 0 | 111.9 | M576 A577 L580 S627 H632 V633 L634 V654 V656 | M576-L630 HydrophobicContact CG-CD1 4.07Å; M576-L630 HydrophobicContact SD-CD1 4.1Å; M576-L630 HydrophobicContact SD-CD2 4.08Å; A577-L630 HydrophobicContact CB-CB 4.35Å; L580-L630 HydrophobicContact CD1-CD1 4.21Å; S627-L630 PolarHBondContact O-N 3.21Å; L630-H632 PolarHBondContact O-N 3.24Å; L630-V633 PolarHBondContact O-N 3.05Å; L630-L634 HydrophobicContact CD1-CG 4.3Å; L630-L634 HydrophobicContact CD2-CD1 4.43Å; L630-L634 HydrophobicContact CG-CD1 3.99Å; L630-L634 HydrophobicContact CG-CG 4.22Å; L630-L634 WeakPolarHBondContact O-CB 3.4Å; L630-L634 WeakPolarHBondContact O-CG 3.48Å; L630-L634 PolarHBondContact O-N 3.25Å; L630-V654 HydrophobicContact CD2-CG1 3.78Å; L630-V656 HydrophobicContact CD2-CG2 4.06Å |
| 631 | D | 85.6 | Confident | 67.1 | Low | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 178.6 | -71.4 | -87.7 | 0 | 0 | 0 | 112.5 | Q635 V656 H657 T660 P699 | D631-Q635 WeakPolarHBondContact O-CB 3.35Å; D631-Q635 PolarHBondContact O-N 2.94Å; D631-Q635 VanDerWaalsContact O-N 3.08Å; D631-V656 WeakPolarHBondContact OD1-CG1 3.21Å; D631-H657 PolarHBondContact OD1-N 3.26Å; D631-T660 HydrophobicContact CB-CG2 3.89Å; D631-T660 WeakPolarHBondContact OD1-CB 3.25Å; D631-T660 WeakPolarHBondContact OD1-CG2 3.35Å; D631-T660 PolarHBondContact OD1-OG1 3.1Å; D631-P699 HydrophobicContact CB-CB 4.41Å; D631-P699 HydrophobicContact CB-CG 3.48Å; D631-P699 VanDerWaalsContact CB-CG 3.48Å |
| 632 | H | 85.8 | Confident | 69.7 | Low | 82 Ų | 82 | 55.1 Ų | 55.1 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 176.5 | -76.3 | -70.5 | 0 | 0 | 0 | 111.6 | Y628 L630 L634 Q635 D636 P699 L700 | Y628-H632 PolarHBondContact O-CD2 3.09Å; Y628-H632 VanDerWaalsContact O-CD2 3.23Å; L630-H632 PolarHBondContact O-N 3.24Å; H632-L634 PolarHBondContact O-N 3.49Å; H632-Q635 PolarHBondContact O-N 3.24Å; H632-D636 PolarHBondContact O-N 2.81Å; H632-P699 PolarHBondContact NE2-O 3.13Å; H632-L700 WeakPolarHBondContact CE1-CD2 3.16Å; H632-L700 WeakPolarHBondContact ND1-CD2 3.47Å |
| 633 | V | 86.8 | Confident | 72.7 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | -178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L580 G629 L630 D636 L637 | L580-V633 HydrophobicContact CB-CG1 3.55Å; L580-V633 VanDerWaalsContact O-CG1 3.28Å; L580-V633 WeakPolarHBondContact O-CG1 3.43Å; G629-V633 VanDerWaalsContact O-CG2 3.29Å; G629-V633 WeakPolarHBondContact O-CG2 3.28Å; G629-V633 PolarHBondContact O-N 3.03Å; L630-V633 PolarHBondContact O-N 3.05Å; V633-D636 PolarHBondContact O-N 3.32Å; V633-L637 VanDerWaalsContact O-CB 3.23Å; V633-L637 WeakPolarHBondContact O-CB 3.38Å; V633-L637 PolarHBondContact O-N 2.72Å |
| 634 | L | 88.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 176.8 | -72.8 | 175.6 | 0 | 0 | 0 | 112.1 | I600 L630 H632 D636 I638 L649 V656 I664 | I600-L634 HydrophobicContact CD1-CD2 4.16Å; L630-L634 HydrophobicContact CD1-CG 4.3Å; L630-L634 HydrophobicContact CD2-CD1 4.43Å; L630-L634 HydrophobicContact CG-CD1 3.99Å; L630-L634 HydrophobicContact CG-CG 4.22Å; L630-L634 WeakPolarHBondContact O-CB 3.4Å; L630-L634 WeakPolarHBondContact O-CG 3.48Å; L630-L634 PolarHBondContact O-N 3.25Å; H632-L634 PolarHBondContact O-N 3.49Å; L634-D636 VanDerWaalsContact C-N 3.34Å; L634-D636 PolarHBondContact O-N 2.91Å; L634-I638 WeakPolarHBondContact O-CB 3.43Å; L634-I638 WeakPolarHBondContact O-CD1 3.33Å; L634-I638 WeakPolarHBondContact O-CG1 3.37Å; L634-I638 PolarHBondContact O-N 3Å; L634-L649 HydrophobicContact CD1-CD1 3.94Å; L634-L649 HydrophobicContact CD1-CD2 4.44Å; L634-V656 HydrophobicContact CD1-CG1 4.37Å; L634-V656 HydrophobicContact CD1-CG2 3.6Å; L634-I664 HydrophobicContact CB-CD1 4.16Å |
| 635 | Q | 85.8 | Confident | 78.3 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 177.5 | -168 | -169.7 | 14.1 | 0 | 0 | 111.4 | D631 H632 K639 V663 L700 | D631-Q635 WeakPolarHBondContact O-CB 3.35Å; D631-Q635 PolarHBondContact O-N 2.94Å; D631-Q635 VanDerWaalsContact O-N 3.08Å; H632-Q635 PolarHBondContact O-N 3.24Å; Q635-K639 WeakPolarHBondContact O-CG 3.49Å; Q635-K639 PolarHBondContact O-N 3.19Å; Q635-V663 HydrophobicContact CG-CG1 4.39Å; Q635-L700 HydrophobicContact CB-CD1 4.43Å |
| 636 | D | 86.6 | Confident | 81.2 | Confident | 66 Ų | 66 | 35.6 Ų | 35.6 | 35% | 0.353 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.2 | -41.4 | -179.2 | -69.8 | -19.3 | 0 | 0 | 0 | 111.8 | H632 V633 L634 I638 K639 A640 | H632-D636 PolarHBondContact O-N 2.81Å; V633-D636 PolarHBondContact O-N 3.32Å; L634-D636 VanDerWaalsContact C-N 3.34Å; L634-D636 PolarHBondContact O-N 2.91Å; D636-I638 VanDerWaalsContact C-N 3.3Å; D636-I638 PolarHBondContact O-N 2.95Å; D636-K639 PolarHBondContact O-N 3.36Å; D636-K639 IonicContact OD1-NZ 3.81Å; D636-A640 WeakPolarHBondContact O-CB 3.39Å; D636-A640 PolarHBondContact O-N 2.93Å |
| 637 | L | 88 | Confident | 83.5 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 175.4 | -171.5 | 160.8 | 0 | 0 | 0 | 111.2 | P588 I589 L598 V633 A640 C641 L644 | P588-L637 HydrophobicContact CB-CD1 3.66Å; P588-L637 HydrophobicContact CB-CG 4.24Å; P588-L637 HydrophobicContact CG-CD1 3.89Å; I589-L637 HydrophobicContact CG1-CB 4.49Å; I589-L637 HydrophobicContact CG1-CG 4.43Å; L598-L637 HydrophobicContact CD2-CD1 3.51Å; L598-L637 HydrophobicContact CD2-CD2 3.85Å; L598-L637 HydrophobicContact CD2-CG 4.37Å; V633-L637 VanDerWaalsContact O-CB 3.23Å; V633-L637 WeakPolarHBondContact O-CB 3.38Å; V633-L637 PolarHBondContact O-N 2.72Å; L637-A640 PolarHBondContact O-N 2.66Å; L637-C641 HydrophobicContact CD2-CB 4.39Å; L637-C641 WeakPolarHBondContact O-CB 3.2Å; L637-C641 PolarHBondContact O-N 3.13Å; L637-C641 PolarHBondContact O-SG 3.1Å; L637-L644 HydrophobicContact CD2-CD2 4.07Å |
| 638 | I | 87.3 | Confident | 85.8 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.1 | -34.8 | -177.1 | -72.4 | 174 | 0 | 0 | 0 | 111.9 | L634 D636 A640 L644 L647 I664 R668 | L634-I638 WeakPolarHBondContact O-CB 3.43Å; L634-I638 WeakPolarHBondContact O-CD1 3.33Å; L634-I638 WeakPolarHBondContact O-CG1 3.37Å; L634-I638 PolarHBondContact O-N 3Å; D636-I638 VanDerWaalsContact C-N 3.3Å; D636-I638 PolarHBondContact O-N 2.95Å; I638-A640 VanDerWaalsContact C-N 3.32Å; I638-L644 HydrophobicContact CG1-CD2 4.15Å; I638-L647 HydrophobicContact CD1-CD2 3.61Å; I638-I664 HydrophobicContact CD1-CB 4.05Å; I638-I664 HydrophobicContact CD1-CD1 3.63Å; I638-I664 HydrophobicContact CD1-CG1 3.7Å; I638-I664 HydrophobicContact CD1-CG2 3.25Å; I638-I664 HydrophobicContact CG2-CG2 4.21Å; I638-R668 HydrophobicContact CG2-CG 3.92Å; I638-R668 PolarHBondContact O-NH2 3.29Å |
| 639 | K | 85.4 | Confident | 87.8 | Confident | 115 Ų | 115 | 26.4 Ų | 26.4 | 50% | 0.5 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.3 | -38.5 | 171.1 | -71.5 | 170.8 | -171.2 | 160.4 | 0 | 111.6 | Q635 D636 Q667 | Q635-K639 WeakPolarHBondContact O-CG 3.49Å; Q635-K639 PolarHBondContact O-N 3.19Å; D636-K639 PolarHBondContact O-N 3.36Å; D636-K639 IonicContact OD1-NZ 3.81Å; K639-Q667 VanDerWaalsContact CE-NE2 3.27Å |
| 640 | A | 88.6 | Confident | 88.7 | Confident | 35 Ų | 35 | 24.8 Ų | 24.8 | 29% | 0.289 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -84 | -23.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I589 S592 D636 L637 I638 P642 | I589-A640 HydrophobicContact CB-CB 4.32Å; I589-A640 HydrophobicContact CD1-CB 3.94Å; I589-A640 HydrophobicContact CG1-CB 3.99Å; I589-A640 HydrophobicContact CG2-CB 3.47Å; I589-A640 VanDerWaalsContact CG2-CB 3.47Å; S592-A640 WeakPolarHBondContact CB-O 3.45Å; D636-A640 WeakPolarHBondContact O-CB 3.39Å; D636-A640 PolarHBondContact O-N 2.93Å; L637-A640 PolarHBondContact O-N 2.66Å; I638-A640 VanDerWaalsContact C-N 3.32Å; A640-P642 WeakPolarHBondContact O-CD 3.22Å |
| 641 | C | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -106.7 | 78 | -176.1 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | L637 H643 L644 R668 | L637-C641 HydrophobicContact CD2-CB 4.39Å; L637-C641 WeakPolarHBondContact O-CB 3.2Å; L637-C641 PolarHBondContact O-N 3.13Å; L637-C641 PolarHBondContact O-SG 3.1Å; C641-H643 PolarHBondContact O-N 2.99Å; C641-H643 VanDerWaalsContact O-N 3.09Å; C641-L644 HydrophobicContact CB-CB 4.25Å; C641-L644 WeakPolarHBondContact O-CB 3.41Å; C641-L644 PolarHBondContact O-N 3.31Å; C641-L644 VanDerWaalsContact O-N 3.14Å; C641-R668 PolarHBondContact O-NH1 3.12Å; C641-R668 PolarHBondContact O-NH2 3.49Å | ||
| 642 | P | 83.2 | Confident | 88.8 | Confident | 45 Ų | 45 | 26.3 Ų | 26.3 | 29% | 0.292 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.9 | -171.9 | 24.6 | -35.1 | 0 | 0 | 0 | 114.1 | A640 L644 R668 Y680 | A640-P642 WeakPolarHBondContact O-CD 3.22Å; P642-L644 PolarHBondContact O-N 2.89Å; P642-R668 PolarHBondContact O-NH1 3.17Å; P642-Y680 HydrophobicContact CB-CE1 4.05Å |
| 643 | H | 87.9 | Confident | 88.5 | Confident | 77 Ų | 77 | 22.8 Ų | 22.8 | 36% | 0.356 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0.1 | -178 | -57.4 | -66.1 | 0 | 0 | 0 | 115.1 | Q593 L595 T596 C641 N645 Y680 | Q593-H643 PolarHBondContact O-CD2 2.92Å; Q593-H643 VanDerWaalsContact O-CD2 3.25Å; L595-H643 CarbonylContact O-C 3.58Å; T596-H643 WeakPolarHBondContact CA-O 3.15Å; C641-H643 PolarHBondContact O-N 2.99Å; C641-H643 VanDerWaalsContact O-N 3.09Å; H643-N645 PolarHBondContact O-N 3.1Å; H643-N645 PolarHBondContact O-ND2 3.16Å; H643-N645 PolarHBondContact O-OD1 3.05Å; H643-Y680 AromaticContact CE1-CE1 3.84Å; H643-Y680 AromaticContact ND1-CE1 3.77Å |
| 644 | L | 90.4 | Very high | 88.2 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | trans | -66.4 | 109.9 | 179.2 | -170.3 | 76.6 | 0 | 0 | 0 | 110.7 | L595 L598 L637 I638 C641 P642 L647 | L595-L644 HydrophobicContact CD2-CD1 4.34Å; L595-L644 HydrophobicContact CG-CD1 4.19Å; L595-L644 PolarHBondContact O-N 3.04Å; L598-L644 HydrophobicContact CB-CD1 3.83Å; L637-L644 HydrophobicContact CD2-CD2 4.07Å; I638-L644 HydrophobicContact CG1-CD2 4.15Å; C641-L644 HydrophobicContact CB-CB 4.25Å; C641-L644 WeakPolarHBondContact O-CB 3.41Å; C641-L644 PolarHBondContact O-N 3.31Å; C641-L644 VanDerWaalsContact O-N 3.14Å; P642-L644 PolarHBondContact O-N 2.89Å; L644-L647 HydrophobicContact CD2-CB 4.49Å | ||
| 645 | N | 90.9 | Very high | 87.9 | Confident | 41 Ų | 41 | 25.6 Ų | 25.6 | 22% | 0.219 | 13% | 0.134 | C | C | . | . | trans | -105.8 | -19.8 | -177 | -61.9 | -37.3 | 0 | 0 | 0 | 112.8 | T596 H643 S681 Q684 | T596-N645 PolarHBondContact O-N 2.83Å; H643-N645 PolarHBondContact O-N 3.1Å; H643-N645 PolarHBondContact O-ND2 3.16Å; H643-N645 PolarHBondContact O-OD1 3.05Å; N645-S681 PolarHBondContact ND2-OG 3.21Å; N645-S681 PolarHBondContact OD1-OG 3.42Å; N645-Q684 PolarHBondContact O-N 2.96Å | ||
| 646 | L | 93.4 | Very high | 88 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.1 | 178.1 | 175.9 | 64.9 | 0 | 0 | 0 | 109.6 | T596 S597 L598 I599 Q684 F686 L750 Y753 | T596-L646 PolarHBondContact O-N 3.27Å; S597-L646 WeakPolarHBondContact CA-O 3.29Å; L598-L646 PolarHBondContact N-O 2.89Å; I599-L646 HydrophobicContact CD1-CD2 4.31Å; I599-L646 HydrophobicContact CG1-CD2 4.48Å; L646-Q684 WeakPolarHBondContact CA-O 3.49Å; L646-Q684 HydrophobicContact CD1-CB 3.88Å; L646-F686 HydrophobicContact CD1-CD2 3.56Å; L646-F686 HydrophobicContact CD1-CE2 3.55Å; L646-L750 HydrophobicContact CD2-CD2 4.33Å; L646-Y753 HydrophobicContact CD2-CD2 4.37Å; L646-Y753 HydrophobicContact CD2-CE1 4.33Å; L646-Y753 HydrophobicContact CD2-CE2 3.59Å |
| 647 | L | 94.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 121 | 167.8 | 177.4 | 62.8 | 0 | 0 | 0 | 108.8 | L598 I638 L644 L649 L683 Q684 L685 F686 | L598-L647 HydrophobicContact CB-CD1 4.17Å; L598-L647 HydrophobicContact CD2-CD1 3.99Å; L598-L647 HydrophobicContact CG-CD1 4.16Å; L598-L647 WeakPolarHBondContact O-CA 3.43Å; I638-L647 HydrophobicContact CD1-CD2 3.61Å; L644-L647 HydrophobicContact CD2-CB 4.49Å; L647-L649 HydrophobicContact CD1-CD2 4.12Å; L647-L683 HydrophobicContact CB-CD1 4.17Å; L647-Q684 PolarHBondContact N-O 3.05Å; L647-L685 HydrophobicContact CB-CD1 3.97Å; L647-L685 HydrophobicContact CD2-CD1 3.8Å; L647-L685 HydrophobicContact CG-CD1 3.97Å; L647-L685 WeakPolarHBondContact O-CA 3.47Å; L647-F686 PolarHBondContact O-N 3.37Å |
| 648 | A | 94.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L598 I599 I600 F686 F746 L750 | L598-A648 PolarHBondContact O-N 3.07Å; I599-A648 WeakPolarHBondContact CA-O 3.44Å; I599-A648 HydrophobicContact CB-CB 4.39Å; I599-A648 HydrophobicContact CG1-CB 4.05Å; I599-A648 HydrophobicContact CG2-CB 4.18Å; I600-A648 PolarHBondContact N-O 3.09Å; A648-F686 CarbonylContact C-O 3.55Å; A648-F686 WeakPolarHBondContact CA-O 3.37Å; A648-F686 HydrophobicContact CB-CB 4.09Å; A648-F746 HydrophobicContact CB-CE2 4.01Å; A648-F746 HydrophobicContact CB-CZ 4.03Å; A648-L750 HydrophobicContact CB-CD1 3.56Å; A648-L750 HydrophobicContact CB-CD2 4.16Å; A648-L750 HydrophobicContact CB-CG 4.48Å |
| 649 | L | 94.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.5 | 176.4 | -52.8 | -178.2 | 0 | 0 | 0 | 109.2 | I600 L634 L647 V654 V656 L661 F686 I687 Q688 F746 | I600-L649 HydrophobicContact CB-CD2 3.84Å; I600-L649 HydrophobicContact CD1-CD2 3.85Å; I600-L649 HydrophobicContact CG1-CD2 4.21Å; I600-L649 HydrophobicContact CG2-CD2 4.45Å; I600-L649 CarbonylContact O-C 3.53Å; I600-L649 WeakPolarHBondContact O-CA 3.44Å; L634-L649 HydrophobicContact CD1-CD1 3.94Å; L634-L649 HydrophobicContact CD1-CD2 4.44Å; L647-L649 HydrophobicContact CD1-CD2 4.12Å; L649-V654 HydrophobicContact CB-CG1 4.39Å; L649-V656 HydrophobicContact CD1-CB 4.36Å; L649-V656 HydrophobicContact CD1-CG2 3.63Å; L649-L661 HydrophobicContact CD1-CD2 4.48Å; L649-F686 PolarHBondContact N-O 2.91Å; L649-I687 HydrophobicContact CB-CD1 3.7Å; L649-I687 HydrophobicContact CD1-CD1 3.68Å; L649-I687 HydrophobicContact CG-CD1 3.68Å; L649-I687 WeakPolarHBondContact O-CA 3.42Å; L649-Q688 PolarHBondContact O-N 3.18Å; L649-F746 WeakPolarHBondContact O-CE2 3.4Å |
| 650 | G | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 177 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I600 L601 L602 V654 C691 | I600-G650 PolarHBondContact O-N 2.81Å; L601-G650 WeakPolarHBondContact CA-O 3.12Å; L602-G650 PolarHBondContact N-O 2.95Å; L602-G650 VanDerWaalsContact N-O 3.16Å; G650-V654 WeakPolarHBondContact O-CG2 3.24Å; G650-C691 WeakPolarHBondContact CA-SG 3.48Å |
| 651 | G | 87.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | 94 | 167.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L602 E603 S653 C691 | L602-G651 CarbonylContact O-C 3.53Å; L602-G651 VanDerWaalsContact O-C 3.31Å; L602-G651 WeakPolarHBondContact O-CA 3.22Å; E603-G651 WeakPolarHBondContact OE1-CA 3.2Å; G651-S653 PolarHBondContact O-N 2.67Å; G651-C691 PolarHBondContact O-SG 2.9Å |
| 652 | S | 83.4 | Confident | 88.3 | Confident | 38 Ų | 38 | 14.8 Ų | 14.8 | 27% | 0.266 | 8% | 0.077 | S | C | . | . | S | Bend | trans | -77.8 | -13.5 | -171.9 | 49.8 | 0 | 0 | 0 | 0 | 115.5 | L602 E603 R604 Y655 | L602-S652 PolarHBondContact O-N 2.84Å; L602-S652 VanDerWaalsContact O-N 3.1Å; E603-S652 WeakPolarHBondContact OE2-CB 3.43Å; E603-S652 PolarHBondContact OE2-N 2.77Å; E603-S652 VanDerWaalsContact OE2-N 3.13Å; E603-S652 PolarHBondContact OE2-OG 2.86Å; R604-S652 PolarHBondContact N-OG 2.8Å; S652-Y655 PolarHBondContact O-OH 3.3Å |
| 653 | S | 79.5 | Confident | 88.5 | Confident | 7 Ų | 7 | 13 Ų | 13 | 5% | 0.049 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -120 | -11.2 | -173.5 | -62.1 | 0 | 0 | 0 | 0 | 115.4 | P573 L602 R604 G651 Y655 | P573-S653 VanDerWaalsContact CG-O 3.22Å; P573-S653 WeakPolarHBondContact CG-O 3.22Å; L602-S653 PolarHBondContact O-N 2.93Å; R604-S653 WeakPolarHBondContact CA-OG 3.34Å; R604-S653 WeakPolarHBondContact CB-OG 3.39Å; R604-S653 PolarHBondContact N-OG 2.7Å; G651-S653 PolarHBondContact O-N 2.67Å; S653-Y655 VanDerWaalsContact O-CD2 3.24Å; S653-Y655 WeakPolarHBondContact O-CD2 3.46Å; S653-Y655 WeakPolarHBondContact O-CE2 3.29Å; S653-Y655 PolarHBondContact O-N 2.8Å |
| 654 | V | 80.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -71.3 | 125.9 | 173.1 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | M576 I600 L602 L630 L649 G650 V656 C691 | M576-V654 HydrophobicContact CE-CG2 4.12Å; M576-V654 HydrophobicContact SD-CG2 4.2Å; I600-V654 HydrophobicContact CG2-CG2 4.14Å; L602-V654 HydrophobicContact CB-CB 4.47Å; L602-V654 HydrophobicContact CB-CG2 3.27Å; L602-V654 HydrophobicContact CD2-CG2 4.46Å; L630-V654 HydrophobicContact CD2-CG1 3.78Å; L649-V654 HydrophobicContact CB-CG1 4.39Å; G650-V654 WeakPolarHBondContact O-CG2 3.24Å; V654-V656 HydrophobicContact CG1-CG2 4.37Å; V654-C691 HydrophobicContact CB-CB 4.38Å; V654-C691 WeakPolarHBondContact O-CA 3.1Å; V654-C691 WeakPolarHBondContact O-CB 3.37Å | ||
| 655 | Y | 83.2 | Confident | 88.4 | Confident | 75 Ų | 75 | 9.3 Ų | 9.3 | 29% | 0.294 | 5% | 0.048 | S | C | . | . | trans | -129 | 126.1 | 173.2 | -57.7 | -65.8 | 0 | 0 | 0 | 110.3 | S652 S653 C691 Q693 | S652-Y655 PolarHBondContact O-OH 3.3Å; S653-Y655 VanDerWaalsContact O-CD2 3.24Å; S653-Y655 WeakPolarHBondContact O-CD2 3.46Å; S653-Y655 WeakPolarHBondContact O-CE2 3.29Å; S653-Y655 PolarHBondContact O-N 2.8Å; Y655-C691 WeakPolarHBondContact CA-O 3.23Å; Y655-Q693 VanDerWaalsContact CB-NE2 3.25Å; Y655-Q693 HydrophobicContact CD1-CG 4.09Å; Y655-Q693 HydrophobicContact CG-CG 4.24Å; Y655-Q693 VanDerWaalsContact CG-NE2 3.29Å | ||
| 656 | V | 87.5 | Confident | 88 | Confident | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.006 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136 | 174 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | L630 D631 L634 L649 V654 T660 L661 C691 C692 Q693 | L630-V656 HydrophobicContact CD2-CG2 4.06Å; D631-V656 WeakPolarHBondContact OD1-CG1 3.21Å; L634-V656 HydrophobicContact CD1-CG1 4.37Å; L634-V656 HydrophobicContact CD1-CG2 3.6Å; L649-V656 HydrophobicContact CD1-CB 4.36Å; L649-V656 HydrophobicContact CD1-CG2 3.63Å; V654-V656 HydrophobicContact CG1-CG2 4.37Å; V656-T660 HydrophobicContact CG1-CG2 3.97Å; V656-L661 HydrophobicContact CB-CD2 4.47Å; V656-L661 HydrophobicContact CG1-CD2 3.86Å; V656-L661 HydrophobicContact CG1-CG 3.93Å; V656-C691 PolarHBondContact N-O 3.26Å; V656-C692 WeakPolarHBondContact O-CA 3.41Å; V656-Q693 PolarHBondContact O-N 2.87Å |
| 657 | H | 89.4 | Confident | 87.5 | Confident | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 141.3 | -179.4 | -164.3 | -89.4 | 0 | 0 | 0 | 110.9 | D631 L659 T660 L661 G696 Y710 | D631-H657 PolarHBondContact OD1-N 3.26Å; H657-L659 PolarHBondContact ND1-N 3.36Å; H657-L659 PolarHBondContact O-N 3.16Å; H657-L659 VanDerWaalsContact O-N 3.17Å; H657-T660 WeakPolarHBondContact O-CA 3.5Å; H657-T660 VanDerWaalsContact O-CB 3.29Å; H657-T660 WeakPolarHBondContact O-CB 3.43Å; H657-T660 PolarHBondContact O-N 3.45Å; H657-L661 PolarHBondContact O-N 3.44Å; H657-G696 PolarHBondContact NE2-O 3.41Å; H657-Y710 AromaticContact CE1-CE2 3.8Å; H657-Y710 AromaticContact CE1-CZ 3.7Å; H657-Y710 AromaticContact NE2-CZ 3.85Å; H657-Y710 PolarHBondContact NE2-OH 3.47Å |
| 658 | I | 89 | Confident | 86.8 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -55.4 | -38.3 | -179.3 | -177.3 | 56.2 | 0 | 0 | 0 | 113 | T660 L661 L662 Q693 L694 W709 Y710 A725 I729 | I658-T660 VanDerWaalsContact C-N 3.3Å; I658-T660 PolarHBondContact O-N 3.4Å; I658-L661 PolarHBondContact O-N 3.33Å; I658-L662 HydrophobicContact CG1-CD1 4.38Å; I658-L662 WeakPolarHBondContact O-CG 3.44Å; I658-L662 PolarHBondContact O-N 3.27Å; I658-Q693 PolarHBondContact N-O 3.26Å; I658-L694 HydrophobicContact CB-CD2 4.01Å; I658-L694 HydrophobicContact CD1-CD2 4.48Å; I658-L694 HydrophobicContact CG1-CD2 4.13Å; I658-L694 HydrophobicContact CG2-CD2 4.36Å; I658-W709 HydrophobicContact CG1-CH2 4.16Å; I658-W709 HydrophobicContact CG1-CZ3 4.44Å; I658-Y710 HydrophobicContact CG2-CD2 4.07Å; I658-Y710 HydrophobicContact CG2-CE2 3.78Å; I658-A725 HydrophobicContact CD1-CB 3.85Å; I658-A725 HydrophobicContact CG1-CB 4.12Å; I658-I729 HydrophobicContact CD1-CD1 3.61Å; I658-I729 HydrophobicContact CD1-CG1 4.17Å |
| 659 | L | 88.6 | Confident | 86 | Confident | 5 Ų | 5 | 17.6 Ų | 17.6 | 3% | 0.026 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.9 | -33.6 | 177.8 | -57.2 | -178.6 | 0 | 0 | 0 | 112.7 | H657 L662 V663 C698 V702 I706 W709 Y710 | H657-L659 PolarHBondContact ND1-N 3.36Å; H657-L659 PolarHBondContact O-N 3.16Å; H657-L659 VanDerWaalsContact O-N 3.17Å; L659-L662 HydrophobicContact CD2-CD1 4.31Å; L659-L662 PolarHBondContact O-N 3.22Å; L659-V663 VanDerWaalsContact O-CG2 3.26Å; L659-V663 WeakPolarHBondContact O-CG2 3.49Å; L659-V663 PolarHBondContact O-N 3.05Å; L659-C698 HydrophobicContact CB-CB 4.49Å; L659-C698 HydrophobicContact CD1-CB 3.74Å; L659-V702 HydrophobicContact CB-CG1 4.47Å; L659-V702 HydrophobicContact CB-CG2 4.02Å; L659-V702 HydrophobicContact CD1-CG2 4.32Å; L659-I706 HydrophobicContact CB-CG2 4.47Å; L659-I706 HydrophobicContact CD2-CG2 3.47Å; L659-I706 VanDerWaalsContact CD2-CG2 3.47Å; L659-I706 HydrophobicContact CG-CG2 4.45Å; L659-W709 HydrophobicContact CD2-CE3 4.06Å; L659-W709 HydrophobicContact CD2-CZ3 3.86Å; L659-Y710 HydrophobicContact CD1-CD1 4.03Å; L659-Y710 HydrophobicContact CD1-CD2 4.18Å; L659-Y710 HydrophobicContact CD1-CE1 4.48Å; L659-Y710 HydrophobicContact CD1-CG 3.85Å; L659-Y710 HydrophobicContact CD2-CD2 3.69Å; L659-Y710 HydrophobicContact CD2-CG 3.77Å; L659-Y710 HydrophobicContact CG-CD2 3.97Å; L659-Y710 HydrophobicContact CG-CE2 4.44Å; L659-Y710 HydrophobicContact CG-CG 4.1Å |
| 660 | T | 87.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | 173.7 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | D631 V656 H657 I658 L662 V663 I664 L700 | D631-T660 HydrophobicContact CB-CG2 3.89Å; D631-T660 WeakPolarHBondContact OD1-CB 3.25Å; D631-T660 WeakPolarHBondContact OD1-CG2 3.35Å; D631-T660 PolarHBondContact OD1-OG1 3.1Å; V656-T660 HydrophobicContact CG1-CG2 3.97Å; H657-T660 WeakPolarHBondContact O-CA 3.5Å; H657-T660 VanDerWaalsContact O-CB 3.29Å; H657-T660 WeakPolarHBondContact O-CB 3.43Å; H657-T660 PolarHBondContact O-N 3.45Å; I658-T660 VanDerWaalsContact C-N 3.3Å; I658-T660 PolarHBondContact O-N 3.4Å; T660-L662 VanDerWaalsContact C-N 3.29Å; T660-L662 PolarHBondContact O-N 3.01Å; T660-V663 PolarHBondContact O-N 3.13Å; T660-I664 HydrophobicContact CG2-CD1 3.84Å; T660-I664 HydrophobicContact CG2-CG1 4.44Å; T660-I664 WeakPolarHBondContact O-CB 3.39Å; T660-I664 VanDerWaalsContact O-CG1 3.23Å; T660-I664 WeakPolarHBondContact O-CG1 3.46Å; T660-I664 PolarHBondContact O-N 3.18Å; T660-L700 HydrophobicContact CG2-CD1 3.68Å; T660-L700 WeakPolarHBondContact OG1-CD1 3.39Å |
| 661 | L | 89.1 | Confident | 84 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.4 | -42.2 | 174.7 | -65.6 | 177.6 | 0 | 0 | 0 | 111.6 | L649 V656 H657 I658 I664 C665 I687 C692 I729 | L649-L661 HydrophobicContact CD1-CD2 4.48Å; V656-L661 HydrophobicContact CB-CD2 4.47Å; V656-L661 HydrophobicContact CG1-CD2 3.86Å; V656-L661 HydrophobicContact CG1-CG 3.93Å; H657-L661 PolarHBondContact O-N 3.44Å; I658-L661 PolarHBondContact O-N 3.33Å; L661-I664 WeakPolarHBondContact O-CB 3.49Å; L661-I664 PolarHBondContact O-N 3.23Å; L661-C665 WeakPolarHBondContact O-CB 3.37Å; L661-C665 PolarHBondContact O-N 3.42Å; L661-C665 PolarHBondContact O-SG 3.43Å; L661-I687 HydrophobicContact CD1-CG1 4.44Å; L661-I687 HydrophobicContact CD2-CD1 4.06Å; L661-C692 HydrophobicContact CD1-CB 4.36Å; L661-I729 HydrophobicContact CB-CD1 4.46Å; L661-I729 HydrophobicContact CD1-CD1 4.4Å |
| 662 | L | 88.3 | Confident | 82.8 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 177.5 | -73.5 | 173.6 | 0 | 0 | 0 | 112.9 | I658 L659 T660 I664 C665 R666 I706 W709 C728 I729 A732 | I658-L662 HydrophobicContact CG1-CD1 4.38Å; I658-L662 WeakPolarHBondContact O-CG 3.44Å; I658-L662 PolarHBondContact O-N 3.27Å; L659-L662 HydrophobicContact CD2-CD1 4.31Å; L659-L662 PolarHBondContact O-N 3.22Å; T660-L662 VanDerWaalsContact C-N 3.29Å; T660-L662 PolarHBondContact O-N 3.01Å; L662-I664 VanDerWaalsContact C-N 3.34Å; L662-C665 PolarHBondContact O-N 2.91Å; L662-R666 WeakPolarHBondContact O-CB 3.48Å; L662-R666 WeakPolarHBondContact O-CG 3.23Å; L662-R666 PolarHBondContact O-N 3.39Å; L662-I706 HydrophobicContact CD1-CG2 4.24Å; L662-W709 HydrophobicContact CD1-CE3 3.72Å; L662-W709 HydrophobicContact CD1-CH2 3.61Å; L662-W709 HydrophobicContact CD1-CZ2 4.39Å; L662-W709 HydrophobicContact CD1-CZ3 3.23Å; L662-C728 HydrophobicContact CD2-CB 4.08Å; L662-I729 HydrophobicContact CD2-CG1 3.9Å; L662-A732 HydrophobicContact CD2-CB 4.35Å |
| 663 | V | 87.2 | Confident | 81.6 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 174.5 | 168.7 | 0 | 0 | 0 | 0 | 110 | Q635 L659 T660 C665 R666 Q667 V702 I706 | Q635-V663 HydrophobicContact CG-CG1 4.39Å; L659-V663 VanDerWaalsContact O-CG2 3.26Å; L659-V663 WeakPolarHBondContact O-CG2 3.49Å; L659-V663 PolarHBondContact O-N 3.05Å; T660-V663 PolarHBondContact O-N 3.13Å; V663-C665 PolarHBondContact O-N 2.92Å; V663-R666 PolarHBondContact O-N 3.11Å; V663-Q667 HydrophobicContact CG1-CG 4.32Å; V663-Q667 WeakPolarHBondContact O-CB 3.5Å; V663-Q667 VanDerWaalsContact O-CG 3.25Å; V663-Q667 WeakPolarHBondContact O-CG 3.14Å; V663-Q667 PolarHBondContact O-N 3.03Å; V663-V702 HydrophobicContact CG2-CG1 3.97Å; V663-V702 HydrophobicContact CG2-CG2 4.34Å; V663-I706 HydrophobicContact CG2-CD1 4.03Å |
| 664 | I | 87.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.3 | -51 | 176.1 | -73.5 | 170.7 | 0 | 0 | 0 | 111.2 | L634 I638 T660 L661 L662 R666 Q667 R668 L683 | L634-I664 HydrophobicContact CB-CD1 4.16Å; I638-I664 HydrophobicContact CD1-CB 4.05Å; I638-I664 HydrophobicContact CD1-CD1 3.63Å; I638-I664 HydrophobicContact CD1-CG1 3.7Å; I638-I664 HydrophobicContact CD1-CG2 3.25Å; I638-I664 HydrophobicContact CG2-CG2 4.21Å; T660-I664 HydrophobicContact CG2-CD1 3.84Å; T660-I664 HydrophobicContact CG2-CG1 4.44Å; T660-I664 WeakPolarHBondContact O-CB 3.39Å; T660-I664 VanDerWaalsContact O-CG1 3.23Å; T660-I664 WeakPolarHBondContact O-CG1 3.46Å; T660-I664 PolarHBondContact O-N 3.18Å; L661-I664 WeakPolarHBondContact O-CB 3.49Å; L661-I664 PolarHBondContact O-N 3.23Å; L662-I664 VanDerWaalsContact C-N 3.34Å; I664-R666 PolarHBondContact O-N 3.39Å; I664-Q667 PolarHBondContact O-N 3.46Å; I664-R668 PolarHBondContact O-N 3.13Å; I664-L683 HydrophobicContact CG2-CD2 4.4Å |
| 665 | C | 87.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | -178.7 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | L661 L662 V663 R668 N669 A732 L733 | L661-C665 WeakPolarHBondContact O-CB 3.37Å; L661-C665 PolarHBondContact O-N 3.42Å; L661-C665 PolarHBondContact O-SG 3.43Å; L662-C665 PolarHBondContact O-N 2.91Å; V663-C665 PolarHBondContact O-N 2.92Å; C665-R668 PolarHBondContact O-N 2.88Å; C665-N669 WeakPolarHBondContact O-CB 3.44Å; C665-N669 PolarHBondContact O-N 3.18Å; C665-A732 HydrophobicContact CB-CB 3.69Å; C665-L733 HydrophobicContact CB-CD2 3.87Å; C665-L733 HydrophobicContact CB-CG 4.08Å; C665-L733 VanDerWaalsContact SG-CD2 3.6Å |
| 666 | R | 83.7 | Confident | 77.2 | Confident | 101 Ų | 101 | 45.6 Ų | 45.6 | 38% | 0.381 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 178.5 | -77.2 | -173.2 | 177.1 | -174.5 | 3.2 | 112.3 | L662 V663 I664 R668 N669 Q670 T705 A732 | L662-R666 WeakPolarHBondContact O-CB 3.48Å; L662-R666 WeakPolarHBondContact O-CG 3.23Å; L662-R666 PolarHBondContact O-N 3.39Å; V663-R666 PolarHBondContact O-N 3.11Å; I664-R666 PolarHBondContact O-N 3.39Å; R666-R668 VanDerWaalsContact C-N 3.29Å; R666-R668 PolarHBondContact O-N 3.43Å; R666-N669 PolarHBondContact O-N 3.49Å; R666-Q670 WeakPolarHBondContact O-CB 3.17Å; R666-Q670 VanDerWaalsContact O-CG 3.31Å; R666-Q670 WeakPolarHBondContact O-CG 3.42Å; R666-Q670 PolarHBondContact O-N 3.27Å; R666-T705 PolarHBondContact NH1-OG1 2.97Å; R666-A732 HydrophobicContact CG-CB 4.28Å |
| 667 | Q | 81.6 | Confident | 75.3 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 177.2 | -78.5 | 176.6 | -12.4 | 0 | 0 | 110.7 | K639 V663 I664 Q670 C671 | K639-Q667 VanDerWaalsContact CE-NE2 3.27Å; V663-Q667 HydrophobicContact CG1-CG 4.32Å; V663-Q667 WeakPolarHBondContact O-CB 3.5Å; V663-Q667 VanDerWaalsContact O-CG 3.25Å; V663-Q667 WeakPolarHBondContact O-CG 3.14Å; V663-Q667 PolarHBondContact O-N 3.03Å; I664-Q667 PolarHBondContact O-N 3.46Å; Q667-Q670 PolarHBondContact O-N 3.22Å; Q667-C671 PolarHBondContact O-N 3.43Å; Q667-C671 PolarHBondContact O-SG 3.08Å; Q667-C671 VanDerWaalsContact O-SG 3.33Å |
| 668 | R | 81.3 | Confident | 73.3 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 177.3 | -77.9 | -70.7 | -177.4 | -176.1 | -5.9 | 113.7 | I638 C641 P642 I664 C665 R666 Q670 C671 C672 L683 | I638-R668 HydrophobicContact CG2-CG 3.92Å; I638-R668 PolarHBondContact O-NH2 3.29Å; C641-R668 PolarHBondContact O-NH1 3.12Å; C641-R668 PolarHBondContact O-NH2 3.49Å; P642-R668 PolarHBondContact O-NH1 3.17Å; I664-R668 PolarHBondContact O-N 3.13Å; C665-R668 PolarHBondContact O-N 2.88Å; R666-R668 VanDerWaalsContact C-N 3.29Å; R666-R668 PolarHBondContact O-N 3.43Å; R668-Q670 VanDerWaalsContact C-N 3.28Å; R668-Q670 PolarHBondContact O-N 2.91Å; R668-C671 PolarHBondContact O-N 3.08Å; R668-C672 PolarHBondContact O-N 2.93Å; R668-C672 VanDerWaalsContact O-N 3.08Å; R668-C672 PolarHBondContact O-SG 3.01Å; R668-C672 VanDerWaalsContact O-SG 3.35Å; R668-L683 HydrophobicContact CG-CD2 4.04Å |
| 669 | N | 77.7 | Confident | 71.7 | Confident | 55 Ų | 55 | 67.8 Ų | 67.8 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 178.7 | -162.2 | -1.6 | 0 | 0 | 0 | 111.7 | C665 R666 C672 N673 A732 | C665-N669 WeakPolarHBondContact O-CB 3.44Å; C665-N669 PolarHBondContact O-N 3.18Å; R666-N669 PolarHBondContact O-N 3.49Å; N669-C672 PolarHBondContact O-N 2.99Å; N669-N673 PolarHBondContact O-N 3.02Å; N669-N673 PolarHBondContact O-ND2 3.43Å; N669-N673 PolarHBondContact OD1-ND2 2.9Å; N669-A732 WeakPolarHBondContact CB-O 3.47Å; N669-A732 PolarHBondContact ND2-O 3.4Å |
| 670 | Q | 74.2 | Confident | 70.5 | Confident | 127 Ų | 127 | 70.6 Ų | 70.6 | 59% | 0.593 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.9 | -43.6 | 173.7 | -73.7 | 175.1 | -5.6 | 0 | 0 | 112.8 | R666 Q667 R668 C672 N673 S674 | R666-Q670 WeakPolarHBondContact O-CB 3.17Å; R666-Q670 VanDerWaalsContact O-CG 3.31Å; R666-Q670 WeakPolarHBondContact O-CG 3.42Å; R666-Q670 PolarHBondContact O-N 3.27Å; Q667-Q670 PolarHBondContact O-N 3.22Å; R668-Q670 VanDerWaalsContact C-N 3.28Å; R668-Q670 PolarHBondContact O-N 2.91Å; Q670-C672 VanDerWaalsContact C-N 3.3Å; Q670-C672 PolarHBondContact O-N 3.33Å; Q670-N673 PolarHBondContact O-N 3.35Å; Q670-N673 VanDerWaalsContact O-N 3.15Å; Q670-S674 PolarHBondContact O-N 3.41Å; Q670-S674 PolarHBondContact O-OG 3.03Å |
| 671 | C | 68.6 | Low | 69.7 | Low | 63 Ų | 63 | 73.2 Ų | 73.2 | 43% | 0.426 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 175.8 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | Q667 R668 N673 S674 | Q667-C671 PolarHBondContact O-N 3.43Å; Q667-C671 PolarHBondContact O-SG 3.08Å; Q667-C671 VanDerWaalsContact O-SG 3.33Å; R668-C671 PolarHBondContact O-N 3.08Å; C671-N673 VanDerWaalsContact C-N 3.28Å; C671-N673 PolarHBondContact O-N 3.48Å; C671-S674 PolarHBondContact O-OG 3.07Å |
| 672 | C | 62.9 | Low | 69.2 | Low | 38 Ų | 38 | 77.5 Ų | 77.5 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.6 | -27.6 | 177.1 | -64.9 | 0 | 0 | 0 | 0 | 113.9 | R668 N669 Q670 | R668-C672 PolarHBondContact O-N 2.93Å; R668-C672 VanDerWaalsContact O-N 3.08Å; R668-C672 PolarHBondContact O-SG 3.01Å; R668-C672 VanDerWaalsContact O-SG 3.35Å; N669-C672 PolarHBondContact O-N 2.99Å; Q670-C672 VanDerWaalsContact C-N 3.3Å; Q670-C672 PolarHBondContact O-N 3.33Å |
| 673 | N | 59 | Low | 69 | Low | 117 Ų | 117 | 77.6 Ų | 77.6 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -91.2 | -26.5 | -177.9 | -69.9 | -34.7 | 0 | 0 | 0 | 113.9 | N669 Q670 C671 | N669-N673 PolarHBondContact O-N 3.02Å; N669-N673 PolarHBondContact O-ND2 3.43Å; N669-N673 PolarHBondContact OD1-ND2 2.9Å; Q670-N673 PolarHBondContact O-N 3.35Å; Q670-N673 VanDerWaalsContact O-N 3.15Å; C671-N673 VanDerWaalsContact C-N 3.28Å; C671-N673 PolarHBondContact O-N 3.48Å |
| 674 | S | 54.7 | Low | 69.1 | Low | 84 Ų | 84 | 82.3 Ų | 82.3 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -84.3 | -29.5 | -174.4 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | Q670 C671 N676 | Q670-S674 PolarHBondContact O-N 3.41Å; Q670-S674 PolarHBondContact O-OG 3.03Å; C671-S674 PolarHBondContact O-OG 3.07Å; S674-N676 PolarHBondContact O-N 3.32Å |
| 675 | M | 48.2 | Very low | 69.4 | Low | 119 Ų | 119 | 82.4 Ų | 82.4 | 59% | 0.586 | 43% | 0.427 | S | S | * | . | trans | -95.9 | 91.6 | -176.5 | -72.3 | -66.5 | -177.8 | 0 | 0 | 110.4 | E677 C678 | M675-E677 PolarHBondContact O-N 3.38Å; M675-C678 PolarHBondContact O-N 3.35Å | ||
| 676 | N | 46.7 | Very low | 69.6 | Low | 162 Ų | 162 | 84.4 Ų | 84.4 | 87% | 0.866 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -4.9 | -177.5 | -98.7 | -17 | 0 | 0 | 0 | 115.8 | S674 | S674-N676 PolarHBondContact O-N 3.32Š|
| 677 | E | 47.6 | Very low | 70.1 | Confident | 190 Ų | 190 | 79.6 Ų | 79.6 | 89% | 0.888 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -8.2 | -176.9 | -65.3 | -162.2 | 160 | 0 | 0 | 115.5 | M675 | M675-E677 PolarHBondContact O-N 3.38Š|
| 678 | C | 48.4 | Very low | 70.6 | Confident | 71 Ų | 71 | 77.6 Ų | 77.6 | 48% | 0.48 | 41% | 0.409 | S | S | . | . | trans | -134 | 92.8 | 175.1 | -80.9 | 0 | 0 | 0 | 0 | 109.3 | M675 Y680 | M675-C678 PolarHBondContact O-N 3.35Å; C678-Y680 HydrophobicContact CB-CE2 4.21Å; C678-Y680 VanDerWaalsContact O-CD2 3.28Å; C678-Y680 WeakPolarHBondContact O-CD2 3.41Å; C678-Y680 PolarHBondContact O-N 3.25Å | ||
| 679 | K | 54.8 | Low | 70.8 | Confident | 209 Ų | 209 | 82 Ų | 82 | 91% | 0.909 | 43% | 0.428 | S | S | * | . | trans | -66.4 | 88.6 | 168.9 | -73.4 | -178.3 | -179.7 | 176 | 0 | 108.4 | S681 | K679-S681 PolarHBondContact O-N 3.08Š| ||
| 680 | Y | 63.4 | Low | 71.1 | Confident | 64 Ų | 64 | 85 Ų | 85 | 25% | 0.251 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 139 | 168.6 | -63.3 | -78.6 | 0 | 0 | 0 | 109 | P642 H643 C678 | P642-Y680 HydrophobicContact CB-CE1 4.05Å; H643-Y680 AromaticContact CE1-CE1 3.84Å; H643-Y680 AromaticContact ND1-CE1 3.77Å; C678-Y680 HydrophobicContact CB-CE2 4.21Å; C678-Y680 VanDerWaalsContact O-CD2 3.28Å; C678-Y680 WeakPolarHBondContact O-CD2 3.41Å; C678-Y680 PolarHBondContact O-N 3.25Å |
| 681 | S | 70.4 | Confident | 71.8 | Confident | 54 Ų | 54 | 79 Ų | 79 | 38% | 0.378 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 145.2 | 173.2 | 21.7 | 0 | 0 | 0 | 0 | 110.4 | N645 K679 L683 | N645-S681 PolarHBondContact ND2-OG 3.21Å; N645-S681 PolarHBondContact OD1-OG 3.42Å; K679-S681 PolarHBondContact O-N 3.08Å; S681-L683 PolarHBondContact O-N 3.42Å |
| 682 | P | 78.1 | Confident | 72.7 | Confident | 92 Ų | 92 | 76.7 Ų | 76.7 | 60% | 0.597 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 136.9 | 178.9 | 25.9 | -33.7 | 0 | 0 | 0 | 110.3 | Q684 | P682-Q684 PolarHBondContact O-N 2.86Š|
| 683 | L | 85.7 | Confident | 73.8 | Confident | 10 Ų | 10 | 77.5 Ų | 77.5 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 118.2 | 175.4 | 179.2 | 68.4 | 0 | 0 | 0 | 109.7 | L647 I664 R668 S681 L733 Q735 | L647-L683 HydrophobicContact CB-CD1 4.17Å; I664-L683 HydrophobicContact CG2-CD2 4.4Å; R668-L683 HydrophobicContact CG-CD2 4.04Å; S681-L683 PolarHBondContact O-N 3.42Å; L683-L733 HydrophobicContact CD2-CD2 4.5Å; L683-Q735 PolarHBondContact O-NE2 3.46Å; L683-Q735 VanDerWaalsContact O-NE2 3.16Å |
| 684 | Q | 89.7 | Confident | 74.9 | Confident | 107 Ų | 107 | 72.8 Ų | 72.8 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 114.8 | 164.3 | -66 | -174.8 | -16 | 0 | 0 | 108.2 | N645 L646 L647 P682 F686 | N645-Q684 PolarHBondContact O-N 2.96Å; L646-Q684 WeakPolarHBondContact CA-O 3.49Å; L646-Q684 HydrophobicContact CD1-CB 3.88Å; L647-Q684 PolarHBondContact N-O 3.05Å; P682-Q684 PolarHBondContact O-N 2.86Å; Q684-F686 HydrophobicContact CB-CZ 4.44Å |
| 685 | L | 92.5 | Very high | 76.1 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 114.6 | -178.9 | -174.4 | 69.8 | 0 | 0 | 0 | 109.1 | L647 I687 I729 L733 W738 | L647-L685 HydrophobicContact CB-CD1 3.97Å; L647-L685 HydrophobicContact CD2-CD1 3.8Å; L647-L685 HydrophobicContact CG-CD1 3.97Å; L647-L685 WeakPolarHBondContact O-CA 3.47Å; L685-I687 HydrophobicContact CD1-CD1 3.87Å; L685-I687 HydrophobicContact CD1-CG1 4.19Å; L685-I687 HydrophobicContact CD2-CG1 4.16Å; L685-I687 HydrophobicContact CG-CD1 4.11Å; L685-I687 HydrophobicContact CG-CG1 3.85Å; L685-I729 HydrophobicContact CD2-CG2 4.25Å; L685-L733 HydrophobicContact CB-CD1 4.01Å; L685-L733 HydrophobicContact CD2-CD1 4.26Å; L685-W738 HydrophobicContact CD2-CZ2 4.19Å; L685-W738 PolarHBondContact O-NE1 2.87Å |
| 686 | F | 92.7 | Very high | 77.5 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 18% | 0.184 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 113.4 | 176.1 | -61.3 | -40.1 | 0 | 0 | 0 | 109.9 | L646 L647 A648 L649 Q684 L741 F746 L750 | L646-F686 HydrophobicContact CD1-CD2 3.56Å; L646-F686 HydrophobicContact CD1-CE2 3.55Å; L647-F686 PolarHBondContact O-N 3.37Å; A648-F686 CarbonylContact C-O 3.55Å; A648-F686 WeakPolarHBondContact CA-O 3.37Å; A648-F686 HydrophobicContact CB-CB 4.09Å; L649-F686 PolarHBondContact N-O 2.91Å; Q684-F686 HydrophobicContact CB-CZ 4.44Å; F686-L741 HydrophobicContact CB-CD1 3.89Å; F686-L741 HydrophobicContact CD1-CD1 3.99Å; F686-L741 HydrophobicContact CG-CD1 4.12Å; F686-F746 HydrophobicContact CB-CD2 4.43Å; F686-F746 HydrophobicContact CB-CE2 4.29Å; F686-L750 HydrophobicContact CD2-CD2 4.02Å; F686-L750 HydrophobicContact CD2-CG 4.48Å; F686-L750 HydrophobicContact CE2-CD2 4.45Å |
| 687 | I | 93.2 | Very high | 78.7 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.8 | -177.9 | -54.2 | -66 | 0 | 0 | 0 | 108 | L649 L661 L685 C691 C692 W738 F740 L741 | L649-I687 HydrophobicContact CB-CD1 3.7Å; L649-I687 HydrophobicContact CD1-CD1 3.68Å; L649-I687 HydrophobicContact CG-CD1 3.68Å; L649-I687 WeakPolarHBondContact O-CA 3.42Å; L661-I687 HydrophobicContact CD1-CG1 4.44Å; L661-I687 HydrophobicContact CD2-CD1 4.06Å; L685-I687 HydrophobicContact CD1-CD1 3.87Å; L685-I687 HydrophobicContact CD1-CG1 4.19Å; L685-I687 HydrophobicContact CD2-CG1 4.16Å; L685-I687 HydrophobicContact CG-CD1 4.11Å; L685-I687 HydrophobicContact CG-CG1 3.85Å; I687-C691 HydrophobicContact CG2-CB 4.27Å; I687-C692 HydrophobicContact CG2-CB 4.37Å; I687-W738 HydrophobicContact CB-CZ2 4.32Å; I687-W738 HydrophobicContact CG1-CZ2 4.12Å; I687-F740 HydrophobicContact CB-CD1 4.09Å; I687-F740 HydrophobicContact CB-CE1 4.29Å; I687-F740 HydrophobicContact CG2-CD1 3.9Å; I687-F740 HydrophobicContact CG2-CE1 3.92Å; I687-L741 PolarHBondContact O-N 3.31Å |
| 688 | Q | 92.3 | Very high | 79.8 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -65.2 | 138.3 | 167.7 | -179.6 | 172.7 | -21.6 | 0 | 0 | 109.1 | L649 E690 C691 L741 F746 | L649-Q688 PolarHBondContact O-N 3.18Å; Q688-E690 PolarHBondContact NE2-OE2 2.86Å; Q688-E690 PolarHBondContact O-N 3.33Å; Q688-E690 VanDerWaalsContact O-N 3.08Å; Q688-C691 WeakPolarHBondContact O-CB 3.41Å; Q688-C691 PolarHBondContact O-N 3.14Å; Q688-L741 WeakPolarHBondContact CA-O 3.04Å; Q688-F746 HydrophobicContact CB-CD2 4.35Å |
| 689 | K | 86.2 | Confident | 80.8 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -51.3 | -36.9 | -174.8 | -175.3 | -179.2 | 176.5 | -177.9 | 0 | 114.1 | C691 F740 L741 | K689-C691 VanDerWaalsContact C-N 3.26Å; K689-C691 PolarHBondContact O-N 2.99Å; K689-F740 HydrophobicContact CB-CB 3.93Å; K689-F740 HydrophobicContact CG-CB 4.23Å; K689-L741 PolarHBondContact N-O 2.84Å |
| 690 | E | 84.8 | Confident | 81.8 | Confident | 118 Ų | 118 | 47.3 Ų | 47.3 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -73.8 | -17.9 | -178 | -67.4 | 166.5 | 169.9 | 0 | 0 | 112.9 | Q688 C692 | Q688-E690 PolarHBondContact NE2-OE2 2.86Å; Q688-E690 PolarHBondContact O-N 3.33Å; Q688-E690 VanDerWaalsContact O-N 3.08Å; E690-C692 VanDerWaalsContact C-N 3.33Å; E690-C692 PolarHBondContact O-N 3.15Å |
| 691 | C | 87.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -83.6 | -7.4 | -176.7 | -55.3 | 0 | 0 | 0 | 0 | 114.5 | G650 G651 V654 Y655 V656 I687 Q688 K689 | G650-C691 WeakPolarHBondContact CA-SG 3.48Å; G651-C691 PolarHBondContact O-SG 2.9Å; V654-C691 HydrophobicContact CB-CB 4.38Å; V654-C691 WeakPolarHBondContact O-CA 3.1Å; V654-C691 WeakPolarHBondContact O-CB 3.37Å; Y655-C691 WeakPolarHBondContact CA-O 3.23Å; V656-C691 PolarHBondContact N-O 3.26Å; I687-C691 HydrophobicContact CG2-CB 4.27Å; Q688-C691 WeakPolarHBondContact O-CB 3.41Å; Q688-C691 PolarHBondContact O-N 3.14Å; K689-C691 VanDerWaalsContact C-N 3.26Å; K689-C691 PolarHBondContact O-N 2.99Å |
| 692 | C | 87.3 | Confident | 83 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 10% | 0.095 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117 | -178.8 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | V656 L661 I687 E690 F740 | V656-C692 WeakPolarHBondContact O-CA 3.41Å; L661-C692 HydrophobicContact CD1-CB 4.36Å; I687-C692 HydrophobicContact CG2-CB 4.37Å; E690-C692 VanDerWaalsContact C-N 3.33Å; E690-C692 PolarHBondContact O-N 3.15Å; C692-F740 HydrophobicContact CB-CD1 4.28Å; C692-F740 HydrophobicContact CB-CE1 3.46Å; C692-F740 VanDerWaalsContact CB-CE1 3.46Å; C692-F740 HydrophobicContact CB-CZ 3.88Å |
| 693 | Q | 86.3 | Confident | 83.2 | Confident | 55 Ų | 55 | 50 Ų | 50 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.4 | 169.9 | -72.9 | 179.8 | -10.8 | 0 | 0 | 109.6 | Y655 V656 I658 | Y655-Q693 VanDerWaalsContact CB-NE2 3.25Å; Y655-Q693 HydrophobicContact CD1-CG 4.09Å; Y655-Q693 HydrophobicContact CG-CG 4.24Å; Y655-Q693 VanDerWaalsContact CG-NE2 3.29Å; V656-Q693 PolarHBondContact O-N 2.87Å; I658-Q693 PolarHBondContact N-O 3.26Å |
| 694 | L | 83 | Confident | 83 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | trans | -89.6 | -23 | 175.9 | -64.7 | -177 | 0 | 0 | 0 | 113.3 | I658 Y710 R721 L722 A725 | I658-L694 HydrophobicContact CB-CD2 4.01Å; I658-L694 HydrophobicContact CD1-CD2 4.48Å; I658-L694 HydrophobicContact CG1-CD2 4.13Å; I658-L694 HydrophobicContact CG2-CD2 4.36Å; L694-Y710 VanDerWaalsContact O-CE2 3.29Å; L694-Y710 WeakPolarHBondContact O-CE2 3.45Å; L694-Y710 PolarHBondContact O-OH 3.03Å; L694-R721 HydrophobicContact CD1-CB 4.01Å; L694-L722 HydrophobicContact CD1-CB 4.38Å; L694-L722 HydrophobicContact CD1-CD2 3.63Å; L694-L722 HydrophobicContact CD1-CG 3.63Å; L694-L722 HydrophobicContact CG-CD2 4.45Å; L694-A725 HydrophobicContact CD2-CB 3.89Å | ||
| 695 | D | 79.7 | Confident | 82.7 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 42% | 0.422 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -116.2 | 151.1 | -178.5 | -56.2 | -34.2 | 0 | 0 | 0 | 108.7 | M714 R721 | D695-M714 HydrophobicContact CB-CE 4.25Å; D695-M714 VanDerWaalsContact OD1-CE 3.26Å; D695-M714 WeakPolarHBondContact OD1-CE 3.46Å; D695-R721 IonicContact OD1-CZ 3.87Å; D695-R721 IonicContact OD1-NH1 2.72Å; D695-R721 PolarHBondContact OD1-NH1 3.31Å; D695-R721 IonicContact OD2-NH1 3.59Å |
| 696 | G | 76.5 | Confident | 82.2 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 127.4 | 175.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | H657 Y710 | H657-G696 PolarHBondContact NE2-O 3.41Å; G696-Y710 PolarHBondContact N-OH 3.01Å; G696-Y710 PolarHBondContact O-OH 3.16Å |
| 697 | V | 73.1 | Confident | 81.8 | Confident | 107 Ų | 107 | 52.8 Ų | 52.8 | 65% | 0.648 | 31% | 0.311 | S | S | * | . | trans | -84.3 | 129.7 | 172.8 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | Y628 | Y628-V697 WeakPolarHBondContact CE1-O 3.42Š| ||
| 698 | C | 71.1 | Confident | 81.4 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -72.3 | 130.6 | 176.7 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | L659 L700 V702 | L659-C698 HydrophobicContact CB-CB 4.49Å; L659-C698 HydrophobicContact CD1-CB 3.74Å; C698-L700 PolarHBondContact O-N 3.42Å; C698-V702 VanDerWaalsContact SG-CG2 3.5Å | ||
| 699 | P | 68.9 | Low | 81.1 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -65 | -26.6 | 175.6 | 11.9 | -19.1 | 0 | 0 | 0 | 113.5 | Y628 D631 H632 | Y628-P699 HydrophobicContact CD1-CB 3.52Å; Y628-P699 HydrophobicContact CD1-CG 3.88Å; Y628-P699 HydrophobicContact CE1-CB 4.34Å; Y628-P699 HydrophobicContact CG-CB 4.25Å; D631-P699 HydrophobicContact CB-CB 4.41Å; D631-P699 HydrophobicContact CB-CG 3.48Å; D631-P699 VanDerWaalsContact CB-CG 3.48Å; H632-P699 PolarHBondContact NE2-O 3.13Å |
| 700 | L | 76 | Confident | 81.1 | Confident | 13 Ų | 13 | 54.7 Ų | 54.7 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -94.1 | 150 | -167.6 | -56.1 | -176.5 | 0 | 0 | 0 | 111.1 | H632 Q635 T660 C698 V702 | H632-L700 WeakPolarHBondContact CE1-CD2 3.16Å; H632-L700 WeakPolarHBondContact ND1-CD2 3.47Å; Q635-L700 HydrophobicContact CB-CD1 4.43Å; T660-L700 HydrophobicContact CG2-CD1 3.68Å; T660-L700 WeakPolarHBondContact OG1-CD1 3.39Å; C698-L700 PolarHBondContact O-N 3.42Å; L700-V702 HydrophobicContact CB-CG2 4.02Å; L700-V702 WeakPolarHBondContact O-CG2 3.43Å; L700-V702 PolarHBondContact O-N 3.03Å; L700-V702 VanDerWaalsContact O-N 3.14Å |
| 701 | I | 75.4 | Confident | 81.2 | Confident | 172 Ų | 172 | 53.5 Ų | 53.5 | 88% | 0.882 | 32% | 0.322 | S | S | * | . | trans | -74 | 105.2 | 161.3 | -58.8 | 173.1 | 0 | 0 | 0 | 106.8 | ||||
| 702 | V | 81.9 | Confident | 81.1 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | trans | -99.9 | 142.8 | -176.4 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | L659 V663 C698 L700 A704 I706 | L659-V702 HydrophobicContact CB-CG1 4.47Å; L659-V702 HydrophobicContact CB-CG2 4.02Å; L659-V702 HydrophobicContact CD1-CG2 4.32Å; V663-V702 HydrophobicContact CG2-CG1 3.97Å; V663-V702 HydrophobicContact CG2-CG2 4.34Å; C698-V702 VanDerWaalsContact SG-CG2 3.5Å; L700-V702 HydrophobicContact CB-CG2 4.02Å; L700-V702 WeakPolarHBondContact O-CG2 3.43Å; L700-V702 PolarHBondContact O-N 3.03Å; L700-V702 VanDerWaalsContact O-N 3.14Å; V702-A704 PolarHBondContact O-N 2.86Å; V702-I706 HydrophobicContact CG1-CB 3.45Å; V702-I706 VanDerWaalsContact CG1-CB 3.45Å; V702-I706 HydrophobicContact CG1-CD1 3.92Å; V702-I706 HydrophobicContact CG1-CG1 4.22Å; V702-I706 HydrophobicContact CG1-CG2 3.43Å; V702-I706 VanDerWaalsContact CG1-CG2 3.43Å | ||
| 703 | P | 82.2 | Confident | 81 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | trans | -50.2 | 139.8 | 171.9 | -27.8 | 33.2 | 0 | 0 | 0 | 113 | T705 I706 S707 | P703-T705 PolarHBondContact O-N 3.42Å; P703-I706 HydrophobicContact CB-CD1 4.42Å; P703-I706 HydrophobicContact CB-CG1 4.48Å; P703-I706 HydrophobicContact CG-CD1 4.17Å; P703-I706 PolarHBondContact O-N 3.31Å; P703-S707 PolarHBondContact O-N 3Å | ||
| 704 | A | 82.3 | Confident | 81 | Confident | 77 Ų | 77 | 57.4 Ų | 57.4 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -51.3 | -37.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V702 I706 S707 T708 | V702-A704 PolarHBondContact O-N 2.86Å; A704-I706 VanDerWaalsContact C-N 3.29Å; A704-I706 PolarHBondContact O-N 2.93Å; A704-S707 WeakPolarHBondContact O-CB 3.5Å; A704-S707 PolarHBondContact O-N 3.49Å; A704-T708 WeakPolarHBondContact O-CG2 3.29Å; A704-T708 PolarHBondContact O-N 3.19Å; A704-T708 PolarHBondContact O-OG1 3.23Å |
| 705 | T | 82.5 | Confident | 81.2 | Confident | 89 Ų | 89 | 62 Ų | 62 | 55% | 0.546 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.4 | -32.3 | 178.7 | 56.2 | 0 | 0 | 0 | 0 | 114 | R666 P703 T708 W709 | R666-T705 PolarHBondContact NH1-OG1 2.97Å; P703-T705 PolarHBondContact O-N 3.42Å; T705-T708 PolarHBondContact O-OG1 2.57Å; T705-W709 PolarHBondContact O-N 3.28Å |
| 706 | I | 84 | Confident | 81.6 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -81.7 | -36.7 | 177.7 | -58.1 | 176 | 0 | 0 | 0 | 109.4 | L659 L662 V663 V702 P703 A704 W709 Y710 | L659-I706 HydrophobicContact CB-CG2 4.47Å; L659-I706 HydrophobicContact CD2-CG2 3.47Å; L659-I706 VanDerWaalsContact CD2-CG2 3.47Å; L659-I706 HydrophobicContact CG-CG2 4.45Å; L662-I706 HydrophobicContact CD1-CG2 4.24Å; V663-I706 HydrophobicContact CG2-CD1 4.03Å; V702-I706 HydrophobicContact CG1-CB 3.45Å; V702-I706 VanDerWaalsContact CG1-CB 3.45Å; V702-I706 HydrophobicContact CG1-CD1 3.92Å; V702-I706 HydrophobicContact CG1-CG1 4.22Å; V702-I706 HydrophobicContact CG1-CG2 3.43Å; V702-I706 VanDerWaalsContact CG1-CG2 3.43Å; P703-I706 HydrophobicContact CB-CD1 4.42Å; P703-I706 HydrophobicContact CB-CG1 4.48Å; P703-I706 HydrophobicContact CG-CD1 4.17Å; P703-I706 PolarHBondContact O-N 3.31Å; A704-I706 VanDerWaalsContact C-N 3.29Å; A704-I706 PolarHBondContact O-N 2.93Å; I706-W709 PolarHBondContact O-N 3.08Å; I706-Y710 WeakPolarHBondContact O-CB 3.45Å; I706-Y710 PolarHBondContact O-N 2.92Å |
| 707 | S | 84 | Confident | 82.1 | Confident | 49 Ų | 49 | 63.4 Ų | 63.4 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 174.1 | -166.4 | 0 | 0 | 0 | 0 | 111.6 | P703 A704 W709 Y710 D711 | P703-S707 PolarHBondContact O-N 3Å; A704-S707 WeakPolarHBondContact O-CB 3.5Å; A704-S707 PolarHBondContact O-N 3.49Å; S707-W709 VanDerWaalsContact C-N 3.27Å; S707-W709 PolarHBondContact O-N 2.89Å; S707-Y710 WeakPolarHBondContact O-CB 3.44Å; S707-Y710 PolarHBondContact O-N 3.19Å; S707-Y710 VanDerWaalsContact O-N 3.09Å; S707-D711 VanDerWaalsContact O-CG 3.3Å; S707-D711 PolarHBondContact O-N 3.35Å |
| 708 | T | 84.6 | Confident | 82.5 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 52% | 0.515 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | A704 T705 T712 | A704-T708 WeakPolarHBondContact O-CG2 3.29Å; A704-T708 PolarHBondContact O-N 3.19Å; A704-T708 PolarHBondContact O-OG1 3.23Å; T705-T708 PolarHBondContact O-OG1 2.57Å; T708-T712 PolarHBondContact O-N 3.36Å; T708-T712 PolarHBondContact O-OG1 2.9Å |
| 709 | W | 86 | Confident | 82.9 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 20% | 0.197 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 174.4 | 167.3 | 82.5 | 0 | 0 | 0 | 111.2 | I658 L659 L662 T705 I706 S707 T712 M713 I724 C728 | I658-W709 HydrophobicContact CG1-CH2 4.16Å; I658-W709 HydrophobicContact CG1-CZ3 4.44Å; L659-W709 HydrophobicContact CD2-CE3 4.06Å; L659-W709 HydrophobicContact CD2-CZ3 3.86Å; L662-W709 HydrophobicContact CD1-CE3 3.72Å; L662-W709 HydrophobicContact CD1-CH2 3.61Å; L662-W709 HydrophobicContact CD1-CZ2 4.39Å; L662-W709 HydrophobicContact CD1-CZ3 3.23Å; T705-W709 PolarHBondContact O-N 3.28Å; I706-W709 PolarHBondContact O-N 3.08Å; S707-W709 VanDerWaalsContact C-N 3.27Å; S707-W709 PolarHBondContact O-N 2.89Å; W709-T712 WeakPolarHBondContact O-CB 3.25Å; W709-T712 PolarHBondContact O-N 2.95Å; W709-M713 HydrophobicContact CH2-CG 4.48Å; W709-M713 HydrophobicContact CH2-SD 3.58Å; W709-M713 VanDerWaalsContact CH2-SD 3.58Å; W709-M713 HydrophobicContact CZ2-CB 4.44Å; W709-M713 HydrophobicContact CZ2-CG 4.38Å; W709-M713 HydrophobicContact CZ2-SD 3.98Å; W709-M713 HydrophobicContact CZ3-SD 4.22Å; W709-M713 PolarHBondContact O-N 3.39Å; W709-I724 HydrophobicContact CZ2-CG2 3.94Å; W709-C728 HydrophobicContact CH2-CB 4.33Å; W709-C728 HydrophobicContact CZ2-CB 3.61Å; W709-C728 WeakPolarHBondContact CZ2-SG 3.35Å; W709-C728 PolarHBondContact NE1-SG 2.85Å |
| 710 | Y | 85.7 | Confident | 83.7 | Confident | 21 Ų | 21 | 67.9 Ų | 67.9 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 178.2 | -176.9 | -111.1 | 0 | 0 | 0 | 111.5 | H657 I658 L659 L694 G696 I706 S707 T712 M713 M714 | H657-Y710 AromaticContact CE1-CE2 3.8Å; H657-Y710 AromaticContact CE1-CZ 3.7Å; H657-Y710 AromaticContact NE2-CZ 3.85Å; H657-Y710 PolarHBondContact NE2-OH 3.47Å; I658-Y710 HydrophobicContact CG2-CD2 4.07Å; I658-Y710 HydrophobicContact CG2-CE2 3.78Å; L659-Y710 HydrophobicContact CD1-CD1 4.03Å; L659-Y710 HydrophobicContact CD1-CD2 4.18Å; L659-Y710 HydrophobicContact CD1-CE1 4.48Å; L659-Y710 HydrophobicContact CD1-CG 3.85Å; L659-Y710 HydrophobicContact CD2-CD2 3.69Å; L659-Y710 HydrophobicContact CD2-CG 3.77Å; L659-Y710 HydrophobicContact CG-CD2 3.97Å; L659-Y710 HydrophobicContact CG-CE2 4.44Å; L659-Y710 HydrophobicContact CG-CG 4.1Å; L694-Y710 VanDerWaalsContact O-CE2 3.29Å; L694-Y710 WeakPolarHBondContact O-CE2 3.45Å; L694-Y710 PolarHBondContact O-OH 3.03Å; G696-Y710 PolarHBondContact N-OH 3.01Å; G696-Y710 PolarHBondContact O-OH 3.16Å; I706-Y710 WeakPolarHBondContact O-CB 3.45Å; I706-Y710 PolarHBondContact O-N 2.92Å; S707-Y710 WeakPolarHBondContact O-CB 3.44Å; S707-Y710 PolarHBondContact O-N 3.19Å; S707-Y710 VanDerWaalsContact O-N 3.09Å; Y710-T712 PolarHBondContact O-N 3.42Å; Y710-M713 HydrophobicContact CD2-CE 3.93Å; Y710-M713 HydrophobicContact CE2-CE 3.88Å; Y710-M713 WeakPolarHBondContact O-CB 3.43Å; Y710-M713 PolarHBondContact O-N 2.92Å; Y710-M713 VanDerWaalsContact O-N 3.07Å; Y710-M714 HydrophobicContact CD1-CG 4.21Å; Y710-M714 HydrophobicContact CD2-CG 4.38Å; Y710-M714 HydrophobicContact CE1-CG 3.99Å; Y710-M714 HydrophobicContact CE2-CG 4.15Å; Y710-M714 HydrophobicContact CE2-SD 4.03Å; Y710-M714 HydrophobicContact CG-CG 4.42Å; Y710-M714 VanDerWaalsContact O-CG 3.27Å; Y710-M714 WeakPolarHBondContact O-CG 3.47Å; Y710-M714 PolarHBondContact O-N 3.17Å |
| 711 | D | 86.1 | Confident | 84.3 | Confident | 93 Ų | 93 | 69.3 Ų | 69.3 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.4 | -39.5 | 176.3 | -63.1 | -30.5 | 0 | 0 | 0 | 111.4 | S707 | S707-D711 VanDerWaalsContact O-CG 3.3Å; S707-D711 PolarHBondContact O-N 3.35Å |
| 712 | T | 86.2 | Confident | 84.9 | Confident | 90 Ų | 90 | 62.8 Ų | 62.8 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.7 | -47.3 | 175.8 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | T708 W709 Y710 M714 T715 | T708-T712 PolarHBondContact O-N 3.36Å; T708-T712 PolarHBondContact O-OG1 2.9Å; W709-T712 WeakPolarHBondContact O-CB 3.25Å; W709-T712 PolarHBondContact O-N 2.95Å; Y710-T712 PolarHBondContact O-N 3.42Å; T712-M714 VanDerWaalsContact C-N 3.25Å; T712-M714 PolarHBondContact O-N 3.35Å; T712-T715 PolarHBondContact O-N 3.2Å; T712-T715 VanDerWaalsContact O-N 3.15Å; T712-T715 PolarHBondContact O-OG1 2.94Å |
| 713 | M | 86.5 | Confident | 85.1 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.02 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.8 | -38.9 | 177.4 | -172.6 | -156.5 | 75.2 | 0 | 0 | 111.5 | W709 Y710 T715 E716 R721 I724 | W709-M713 HydrophobicContact CH2-CG 4.48Å; W709-M713 HydrophobicContact CH2-SD 3.58Å; W709-M713 VanDerWaalsContact CH2-SD 3.58Å; W709-M713 HydrophobicContact CZ2-CB 4.44Å; W709-M713 HydrophobicContact CZ2-CG 4.38Å; W709-M713 HydrophobicContact CZ2-SD 3.98Å; W709-M713 HydrophobicContact CZ3-SD 4.22Å; W709-M713 PolarHBondContact O-N 3.39Å; Y710-M713 HydrophobicContact CD2-CE 3.93Å; Y710-M713 HydrophobicContact CE2-CE 3.88Å; Y710-M713 WeakPolarHBondContact O-CB 3.43Å; Y710-M713 PolarHBondContact O-N 2.92Å; Y710-M713 VanDerWaalsContact O-N 3.07Å; M713-T715 PolarHBondContact O-N 2.97Å; M713-E716 VanDerWaalsContact O-CB 3.31Å; M713-E716 WeakPolarHBondContact O-CB 3.47Å; M713-E716 PolarHBondContact O-N 2.96Å; M713-R721 HydrophobicContact CE-CB 4.34Å; M713-R721 HydrophobicContact CE-CG 4.37Å; M713-R721 HydrophobicContact CG-CB 4.28Å; M713-R721 HydrophobicContact CG-CG 4.21Å; M713-R721 WeakPolarHBondContact O-CG 3.37Å; M713-R721 HydrophobicContact SD-CB 4.35Å; M713-I724 HydrophobicContact CG-CB 4.35Å; M713-I724 HydrophobicContact CG-CG2 4.01Å |
| 714 | M | 86 | Confident | 85.4 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 28% | 0.276 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.8 | -19.3 | -178.7 | -70.1 | -60 | -72.6 | 0 | 0 | 113.7 | D695 Y710 T712 E716 R721 | D695-M714 HydrophobicContact CB-CE 4.25Å; D695-M714 VanDerWaalsContact OD1-CE 3.26Å; D695-M714 WeakPolarHBondContact OD1-CE 3.46Å; Y710-M714 HydrophobicContact CD1-CG 4.21Å; Y710-M714 HydrophobicContact CD2-CG 4.38Å; Y710-M714 HydrophobicContact CE1-CG 3.99Å; Y710-M714 HydrophobicContact CE2-CG 4.15Å; Y710-M714 HydrophobicContact CE2-SD 4.03Å; Y710-M714 HydrophobicContact CG-CG 4.42Å; Y710-M714 VanDerWaalsContact O-CG 3.27Å; Y710-M714 WeakPolarHBondContact O-CG 3.47Å; Y710-M714 PolarHBondContact O-N 3.17Å; T712-M714 VanDerWaalsContact C-N 3.25Å; T712-M714 PolarHBondContact O-N 3.35Å; M714-E716 VanDerWaalsContact C-N 3.26Å; M714-E716 PolarHBondContact O-N 2.88Å; M714-R721 PolarHBondContact O-NH2 3.34Å |
| 715 | T | 87.1 | Confident | 85.7 | Confident | 116 Ų | 116 | 66 Ų | 66 | 71% | 0.712 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -14.8 | 173.6 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | T712 M713 | T712-T715 PolarHBondContact O-N 3.2Å; T712-T715 VanDerWaalsContact O-N 3.15Å; T712-T715 PolarHBondContact O-OG1 2.94Å; M713-T715 PolarHBondContact O-N 2.97Å |
| 716 | E | 87.9 | Confident | 86.1 | Confident | 88 Ų | 88 | 64 Ų | 64 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -86.1 | 165.2 | -176.5 | -68.3 | -73.8 | 169.3 | 0 | 0 | 113 | M713 M714 R721 I724 | M713-E716 VanDerWaalsContact O-CB 3.31Å; M713-E716 WeakPolarHBondContact O-CB 3.47Å; M713-E716 PolarHBondContact O-N 2.96Å; M714-E716 VanDerWaalsContact C-N 3.26Å; M714-E716 PolarHBondContact O-N 2.88Å; E716-R721 HydrophobicContact CB-CG 4.34Å; E716-R721 PolarHBondContact O-NE 2.92Å; E716-R721 PolarHBondContact O-NH2 2.89Å; E716-I724 HydrophobicContact CB-CD1 4.14Å; E716-I724 HydrophobicContact CG-CD1 3.72Å |
| 717 | S | 85.8 | Confident | 86.3 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | trans | -64.7 | 151.7 | 173 | 84.2 | 0 | 0 | 0 | 0 | 112.1 | S719 S720 R721 | S717-S719 VanDerWaalsContact C-N 3.31Å; S717-S719 PolarHBondContact O-N 2.94Å; S717-S720 CarbonylContact O-C 3.58Å; S717-S720 WeakPolarHBondContact O-CA 3.4Å; S717-S720 VanDerWaalsContact O-CB 3.3Å; S717-S720 WeakPolarHBondContact O-CB 3.44Å; S717-S720 PolarHBondContact O-N 3.48Å; S717-S720 WeakPolarHBondContact OG-CB 3.34Å; S717-S720 PolarHBondContact OG-N 3.25Å; S717-S720 PolarHBondContact OG-OG 3.46Å; S717-R721 WeakPolarHBondContact O-CG 3.33Å; S717-R721 PolarHBondContact O-N 3.5Å | ||
| 718 | I | 81.4 | Confident | 86.5 | Confident | 116 Ų | 116 | 66.3 Ų | 66.3 | 60% | 0.595 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -53.5 | -45.2 | -177.6 | -62.7 | 167 | 0 | 0 | 0 | 112.4 | S720 R721 L722 | I718-S720 VanDerWaalsContact C-N 3.31Å; I718-S720 PolarHBondContact O-N 3.2Å; I718-R721 WeakPolarHBondContact O-CB 3.26Å; I718-R721 PolarHBondContact O-N 3.44Å; I718-L722 PolarHBondContact O-N 2.94Å |
| 719 | S | 80.3 | Confident | 86.7 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 69% | 0.685 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.7 | -36.3 | 177.6 | -58 | 0 | 0 | 0 | 0 | 112.3 | S717 | S717-S719 VanDerWaalsContact C-N 3.31Å; S717-S719 PolarHBondContact O-N 2.94Å |
| 720 | S | 86.1 | Confident | 86.8 | Confident | 41 Ų | 41 | 60.7 Ų | 60.7 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 173.5 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | S717 I718 L722 R723 I724 | S717-S720 CarbonylContact O-C 3.58Å; S717-S720 WeakPolarHBondContact O-CA 3.4Å; S717-S720 VanDerWaalsContact O-CB 3.3Å; S717-S720 WeakPolarHBondContact O-CB 3.44Å; S717-S720 PolarHBondContact O-N 3.48Å; S717-S720 WeakPolarHBondContact OG-CB 3.34Å; S717-S720 PolarHBondContact OG-N 3.25Å; S717-S720 PolarHBondContact OG-OG 3.46Å; I718-S720 VanDerWaalsContact C-N 3.31Å; I718-S720 PolarHBondContact O-N 3.2Å; S720-L722 PolarHBondContact O-N 3.33Å; S720-R723 PolarHBondContact O-N 3.3Å; S720-I724 WeakPolarHBondContact O-CB 2.83Å; S720-I724 WeakPolarHBondContact O-CD1 3.48Å; S720-I724 WeakPolarHBondContact O-CG1 3.31Å; S720-I724 PolarHBondContact O-N 3.31Å |
| 721 | R | 88.2 | Confident | 86.9 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.9 | -47.4 | -179.7 | -67.1 | 178.1 | -163.5 | 177 | 2.8 | 112 | L694 D695 M713 M714 E716 S717 I718 R723 I724 A725 | L694-R721 HydrophobicContact CD1-CB 4.01Å; D695-R721 IonicContact OD1-CZ 3.87Å; D695-R721 IonicContact OD1-NH1 2.72Å; D695-R721 PolarHBondContact OD1-NH1 3.31Å; D695-R721 IonicContact OD2-NH1 3.59Å; M713-R721 HydrophobicContact CE-CB 4.34Å; M713-R721 HydrophobicContact CE-CG 4.37Å; M713-R721 HydrophobicContact CG-CB 4.28Å; M713-R721 HydrophobicContact CG-CG 4.21Å; M713-R721 WeakPolarHBondContact O-CG 3.37Å; M713-R721 HydrophobicContact SD-CB 4.35Å; M714-R721 PolarHBondContact O-NH2 3.34Å; E716-R721 HydrophobicContact CB-CG 4.34Å; E716-R721 PolarHBondContact O-NE 2.92Å; E716-R721 PolarHBondContact O-NH2 2.89Å; S717-R721 WeakPolarHBondContact O-CG 3.33Å; S717-R721 PolarHBondContact O-N 3.5Å; I718-R721 WeakPolarHBondContact O-CB 3.26Å; I718-R721 PolarHBondContact O-N 3.44Å; R721-R723 PolarHBondContact O-N 3.07Å; R721-I724 PolarHBondContact O-N 2.86Å; R721-A725 WeakPolarHBondContact O-CB 3.48Å; R721-A725 PolarHBondContact O-N 3.28Å |
| 722 | L | 87.1 | Confident | 86.9 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.7 | -49.3 | 176.6 | -82.6 | 166.8 | 0 | 0 | 0 | 111.8 | L694 I718 S720 I724 A725 E726 F740 | L694-L722 HydrophobicContact CD1-CB 4.38Å; L694-L722 HydrophobicContact CD1-CD2 3.63Å; L694-L722 HydrophobicContact CD1-CG 3.63Å; L694-L722 HydrophobicContact CG-CD2 4.45Å; I718-L722 PolarHBondContact O-N 2.94Å; S720-L722 PolarHBondContact O-N 3.33Å; L722-I724 VanDerWaalsContact C-N 3.34Å; L722-I724 PolarHBondContact O-N 2.95Å; L722-A725 WeakPolarHBondContact O-CB 3.4Å; L722-A725 PolarHBondContact O-N 2.99Å; L722-E726 WeakPolarHBondContact O-CG 3.27Å; L722-E726 PolarHBondContact O-N 3.34Å; L722-F740 HydrophobicContact CD2-CD2 4.15Å; L722-F740 HydrophobicContact CD2-CE2 4.17Å |
| 723 | R | 86.9 | Confident | 86.8 | Confident | 190 Ų | 190 | 57.3 Ų | 57.3 | 72% | 0.717 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | -178.6 | -168.8 | 174.7 | -176.6 | 176.4 | 1.1 | 112.3 | S720 R721 E726 C727 | S720-R723 PolarHBondContact O-N 3.3Å; R721-R723 PolarHBondContact O-N 3.07Å; R723-E726 PolarHBondContact O-N 3.45Å; R723-C727 PolarHBondContact O-N 2.97Å; R723-C727 PolarHBondContact O-SG 3.31Å |
| 724 | I | 88.1 | Confident | 86.5 | Confident | 50 Ų | 50 | 60 Ų | 60 | 26% | 0.256 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 174.9 | -67.6 | 164.1 | 0 | 0 | 0 | 109.9 | W709 M713 E716 S720 R721 L722 E726 C727 C728 | W709-I724 HydrophobicContact CZ2-CG2 3.94Å; M713-I724 HydrophobicContact CG-CB 4.35Å; M713-I724 HydrophobicContact CG-CG2 4.01Å; E716-I724 HydrophobicContact CB-CD1 4.14Å; E716-I724 HydrophobicContact CG-CD1 3.72Å; S720-I724 WeakPolarHBondContact O-CB 2.83Å; S720-I724 WeakPolarHBondContact O-CD1 3.48Å; S720-I724 WeakPolarHBondContact O-CG1 3.31Å; S720-I724 PolarHBondContact O-N 3.31Å; R721-I724 PolarHBondContact O-N 2.86Å; L722-I724 VanDerWaalsContact C-N 3.34Å; L722-I724 PolarHBondContact O-N 2.95Å; I724-E726 PolarHBondContact O-N 3.28Å; I724-C727 PolarHBondContact O-N 3.24Å; I724-C728 WeakPolarHBondContact O-CB 3.45Å; I724-C728 PolarHBondContact O-N 3.23Å; I724-C728 PolarHBondContact O-SG 3.32Å |
| 725 | A | 88.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I658 L694 R721 L722 C728 I729 F740 | I658-A725 HydrophobicContact CD1-CB 3.85Å; I658-A725 HydrophobicContact CG1-CB 4.12Å; L694-A725 HydrophobicContact CD2-CB 3.89Å; R721-A725 WeakPolarHBondContact O-CB 3.48Å; R721-A725 PolarHBondContact O-N 3.28Å; L722-A725 WeakPolarHBondContact O-CB 3.4Å; L722-A725 PolarHBondContact O-N 2.99Å; A725-C728 PolarHBondContact O-N 3.41Å; A725-I729 WeakPolarHBondContact O-CG1 3.26Å; A725-I729 PolarHBondContact O-N 3.48Å; A725-F740 HydrophobicContact CB-CE2 4.3Å |
| 726 | E | 91.1 | Very high | 86 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 174.8 | -71.7 | 177.2 | 157.6 | 0 | 0 | 112.1 | L722 R723 I724 C728 I729 C730 W738 H739 F740 | L722-E726 WeakPolarHBondContact O-CG 3.27Å; L722-E726 PolarHBondContact O-N 3.34Å; R723-E726 PolarHBondContact O-N 3.45Å; I724-E726 PolarHBondContact O-N 3.28Å; E726-C728 VanDerWaalsContact C-N 3.26Å; E726-C728 PolarHBondContact O-N 3.21Å; E726-I729 PolarHBondContact O-N 2.89Å; E726-C730 WeakPolarHBondContact O-CB 3.42Å; E726-C730 PolarHBondContact O-N 3.31Å; E726-W738 HydrophobicContact CB-CE3 4.33Å; E726-W738 HydrophobicContact CB-CZ3 4.38Å; E726-W738 HydrophobicContact CG-CE3 4.34Å; E726-W738 HydrophobicContact CG-CZ3 4.04Å; E726-H739 WeakPolarHBondContact OE1-CB 3.26Å; E726-F740 HydrophobicContact CG-CD2 3.49Å; E726-F740 VanDerWaalsContact CG-CD2 3.49Å; E726-F740 HydrophobicContact CG-CE2 3.75Å; E726-F740 PolarHBondContact OE1-N 2.9Å |
| 727 | C | 88.4 | Confident | 85.8 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 49% | 0.493 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 176.1 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | R723 I724 T731 | R723-C727 PolarHBondContact O-N 2.97Å; R723-C727 PolarHBondContact O-SG 3.31Å; I724-C727 PolarHBondContact O-N 3.24Å; C727-T731 WeakPolarHBondContact O-CG2 3.47Å; C727-T731 PolarHBondContact O-N 3.18Å; C727-T731 PolarHBondContact O-OG1 3.41Å |
| 728 | C | 88.1 | Confident | 86 | Confident | 27 Ų | 27 | 71.5 Ų | 71.5 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71.7 | -39.5 | 179.9 | -72.5 | 0 | 0 | 0 | 0 | 113.2 | L662 W709 I724 A725 E726 T731 A732 | L662-C728 HydrophobicContact CD2-CB 4.08Å; W709-C728 HydrophobicContact CH2-CB 4.33Å; W709-C728 HydrophobicContact CZ2-CB 3.61Å; W709-C728 WeakPolarHBondContact CZ2-SG 3.35Å; W709-C728 PolarHBondContact NE1-SG 2.85Å; I724-C728 WeakPolarHBondContact O-CB 3.45Å; I724-C728 PolarHBondContact O-N 3.23Å; I724-C728 PolarHBondContact O-SG 3.32Å; A725-C728 PolarHBondContact O-N 3.41Å; E726-C728 VanDerWaalsContact C-N 3.26Å; E726-C728 PolarHBondContact O-N 3.21Å; C728-T731 WeakPolarHBondContact CA-OG1 3.29Å; C728-T731 PolarHBondContact O-OG1 3.44Å; C728-A732 VanDerWaalsContact O-CB 3.26Å; C728-A732 WeakPolarHBondContact O-CB 3.47Å; C728-A732 PolarHBondContact O-N 2.92Å |
| 729 | I | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 172.3 | -68.5 | 171.5 | 0 | 0 | 0 | 110.3 | I658 L661 L662 L685 A725 E726 T731 A732 L733 W738 F740 | I658-I729 HydrophobicContact CD1-CD1 3.61Å; I658-I729 HydrophobicContact CD1-CG1 4.17Å; L661-I729 HydrophobicContact CB-CD1 4.46Å; L661-I729 HydrophobicContact CD1-CD1 4.4Å; L662-I729 HydrophobicContact CD2-CG1 3.9Å; L685-I729 HydrophobicContact CD2-CG2 4.25Å; A725-I729 WeakPolarHBondContact O-CG1 3.26Å; A725-I729 PolarHBondContact O-N 3.48Å; E726-I729 PolarHBondContact O-N 2.89Å; I729-T731 VanDerWaalsContact C-N 3.29Å; I729-T731 PolarHBondContact O-N 3.32Å; I729-A732 PolarHBondContact O-N 3.08Å; I729-A732 VanDerWaalsContact O-N 3.14Å; I729-L733 HydrophobicContact CG2-CD1 3.68Å; I729-L733 HydrophobicContact CG2-CG 4.2Å; I729-L733 WeakPolarHBondContact O-CB 3.21Å; I729-L733 WeakPolarHBondContact O-CG 3.45Å; I729-L733 PolarHBondContact O-N 2.95Å; I729-W738 HydrophobicContact CB-CD2 4.2Å; I729-W738 HydrophobicContact CB-CE3 3.75Å; I729-W738 HydrophobicContact CB-CH2 4.22Å; I729-W738 HydrophobicContact CB-CZ3 3.77Å; I729-W738 HydrophobicContact CD1-CE3 4.39Å; I729-W738 HydrophobicContact CD1-CH2 3.42Å; I729-W738 VanDerWaalsContact CD1-CH2 3.42Å; I729-W738 HydrophobicContact CD1-CZ2 4.22Å; I729-W738 HydrophobicContact CD1-CZ3 3.53Å; I729-W738 HydrophobicContact CG1-CH2 4.41Å; I729-W738 HydrophobicContact CG1-CZ3 4.22Å; I729-W738 HydrophobicContact CG2-CD2 3.54Å; I729-W738 HydrophobicContact CG2-CE3 3.61Å; I729-W738 HydrophobicContact CG2-CG 4.2Å; I729-W738 HydrophobicContact CG2-CH2 3.89Å; I729-W738 HydrophobicContact CG2-CZ2 3.82Å; I729-W738 HydrophobicContact CG2-CZ3 3.79Å; I729-F740 HydrophobicContact CD1-CZ 4.11Å |
| 730 | C | 88.5 | Confident | 87 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 12% | 0.122 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.6 | -45.3 | 177.7 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | E726 G734 Q735 W738 | E726-C730 WeakPolarHBondContact O-CB 3.42Å; E726-C730 PolarHBondContact O-N 3.31Å; C730-G734 PolarHBondContact O-N 3.14Å; C730-G734 VanDerWaalsContact O-N 3.13Å; C730-Q735 PolarHBondContact O-N 3.18Å; C730-Q735 PolarHBondContact SG-O 2.81Å; C730-W738 HydrophobicContact CB-CB 3.94Å |
| 731 | T | 86.4 | Confident | 87.2 | Confident | 105 Ų | 105 | 64.6 Ų | 64.6 | 64% | 0.644 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.9 | -40.5 | 175.9 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | C727 C728 I729 L733 G734 | C727-T731 WeakPolarHBondContact O-CG2 3.47Å; C727-T731 PolarHBondContact O-N 3.18Å; C727-T731 PolarHBondContact O-OG1 3.41Å; C728-T731 WeakPolarHBondContact CA-OG1 3.29Å; C728-T731 PolarHBondContact O-OG1 3.44Å; I729-T731 VanDerWaalsContact C-N 3.29Å; I729-T731 PolarHBondContact O-N 3.32Å; T731-L733 VanDerWaalsContact C-N 3.35Å; T731-L733 PolarHBondContact O-N 3.46Å; T731-G734 PolarHBondContact O-N 2.92Å; T731-G734 VanDerWaalsContact O-N 3.16Å |
| 732 | A | 86.5 | Confident | 87.3 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L662 C665 R666 N669 C728 I729 G734 | L662-A732 HydrophobicContact CD2-CB 4.35Å; C665-A732 HydrophobicContact CB-CB 3.69Å; R666-A732 HydrophobicContact CG-CB 4.28Å; N669-A732 WeakPolarHBondContact CB-O 3.47Å; N669-A732 PolarHBondContact ND2-O 3.4Å; C728-A732 VanDerWaalsContact O-CB 3.26Å; C728-A732 WeakPolarHBondContact O-CB 3.47Å; C728-A732 PolarHBondContact O-N 2.92Å; I729-A732 PolarHBondContact O-N 3.08Å; I729-A732 VanDerWaalsContact O-N 3.14Å; A732-G734 VanDerWaalsContact C-N 3.33Å |
| 733 | L | 84.9 | Confident | 87.2 | Confident | 19 Ų | 19 | 67.5 Ų | 67.5 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -79.2 | -13.3 | 175.2 | -69.7 | 173.7 | 0 | 0 | 0 | 113.5 | C665 L683 L685 I729 T731 Q735 W738 | C665-L733 HydrophobicContact CB-CD2 3.87Å; C665-L733 HydrophobicContact CB-CG 4.08Å; C665-L733 VanDerWaalsContact SG-CD2 3.6Å; L683-L733 HydrophobicContact CD2-CD2 4.5Å; L685-L733 HydrophobicContact CB-CD1 4.01Å; L685-L733 HydrophobicContact CD2-CD1 4.26Å; I729-L733 HydrophobicContact CG2-CD1 3.68Å; I729-L733 HydrophobicContact CG2-CG 4.2Å; I729-L733 WeakPolarHBondContact O-CB 3.21Å; I729-L733 WeakPolarHBondContact O-CG 3.45Å; I729-L733 PolarHBondContact O-N 2.95Å; T731-L733 VanDerWaalsContact C-N 3.35Å; T731-L733 PolarHBondContact O-N 3.46Å; L733-Q735 VanDerWaalsContact C-N 3.25Å; L733-Q735 HydrophobicContact CB-CB 4.45Å; L733-Q735 HydrophobicContact CB-CG 3.95Å; L733-Q735 PolarHBondContact O-N 2.72Å; L733-W738 HydrophobicContact CD1-CG 4.34Å |
| 734 | G | 80.4 | Confident | 87 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 62% | 0.619 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 23.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C730 T731 A732 | C730-G734 PolarHBondContact O-N 3.14Å; C730-G734 VanDerWaalsContact O-N 3.13Å; T731-G734 PolarHBondContact O-N 2.92Å; T731-G734 VanDerWaalsContact O-N 3.16Å; A732-G734 VanDerWaalsContact C-N 3.33Å |
| 735 | Q | 82.6 | Confident | 87 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | trans | -91.4 | 153.8 | -179.8 | -68 | 179.2 | -2.2 | 0 | 0 | 110.8 | L683 C730 L733 | L683-Q735 PolarHBondContact O-NE2 3.46Å; L683-Q735 VanDerWaalsContact O-NE2 3.16Å; C730-Q735 PolarHBondContact O-N 3.18Å; C730-Q735 PolarHBondContact SG-O 2.81Å; L733-Q735 VanDerWaalsContact C-N 3.25Å; L733-Q735 HydrophobicContact CB-CB 4.45Å; L733-Q735 HydrophobicContact CB-CG 3.95Å; L733-Q735 PolarHBondContact O-N 2.72Å | ||
| 736 | R | 79 | Confident | 87.1 | Confident | 254 Ų | 254 | 60.9 Ų | 60.9 | 96% | 0.958 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -78.6 | -31.1 | 179.5 | -72.9 | -173.8 | 178.9 | 177.4 | 0.5 | 113.4 | ||
| 737 | R | 84.4 | Confident | 86.8 | Confident | 229 Ų | 229 | 61.4 Ų | 61.4 | 86% | 0.864 | 31% | 0.313 | S | S | * | . | trans | -146.5 | 124.6 | 179.6 | -70.1 | -173.3 | 173.5 | -176.2 | -2.8 | 108 | ||||
| 738 | W | 90.3 | Very high | 86.7 | Confident | 25 Ų | 25 | 60 Ų | 60 | 10% | 0.095 | 30% | 0.301 | C | S | . | . | trans | -145.8 | 137.6 | 172.7 | -174.9 | 92.1 | 0 | 0 | 0 | 107.7 | L685 I687 E726 I729 C730 L733 F740 | L685-W738 HydrophobicContact CD2-CZ2 4.19Å; L685-W738 PolarHBondContact O-NE1 2.87Å; I687-W738 HydrophobicContact CB-CZ2 4.32Å; I687-W738 HydrophobicContact CG1-CZ2 4.12Å; E726-W738 HydrophobicContact CB-CE3 4.33Å; E726-W738 HydrophobicContact CB-CZ3 4.38Å; E726-W738 HydrophobicContact CG-CE3 4.34Å; E726-W738 HydrophobicContact CG-CZ3 4.04Å; I729-W738 HydrophobicContact CB-CD2 4.2Å; I729-W738 HydrophobicContact CB-CE3 3.75Å; I729-W738 HydrophobicContact CB-CH2 4.22Å; I729-W738 HydrophobicContact CB-CZ3 3.77Å; I729-W738 HydrophobicContact CD1-CE3 4.39Å; I729-W738 HydrophobicContact CD1-CH2 3.42Å; I729-W738 VanDerWaalsContact CD1-CH2 3.42Å; I729-W738 HydrophobicContact CD1-CZ2 4.22Å; I729-W738 HydrophobicContact CD1-CZ3 3.53Å; I729-W738 HydrophobicContact CG1-CH2 4.41Å; I729-W738 HydrophobicContact CG1-CZ3 4.22Å; I729-W738 HydrophobicContact CG2-CD2 3.54Å; I729-W738 HydrophobicContact CG2-CE3 3.61Å; I729-W738 HydrophobicContact CG2-CG 4.2Å; I729-W738 HydrophobicContact CG2-CH2 3.89Å; I729-W738 HydrophobicContact CG2-CZ2 3.82Å; I729-W738 HydrophobicContact CG2-CZ3 3.79Å; C730-W738 HydrophobicContact CB-CB 3.94Å; L733-W738 HydrophobicContact CD1-CG 4.34Å; W738-F740 AromaticContact CH2-CD1 3.77Å; W738-F740 HydrophobicContact CH2-CD1 3.77Å; W738-F740 HydrophobicContact CH2-CD2 4.45Å; W738-F740 AromaticContact CH2-CE1 3.61Å; W738-F740 HydrophobicContact CH2-CE1 3.61Å; W738-F740 HydrophobicContact CH2-CE2 4.32Å; W738-F740 HydrophobicContact CH2-CG 4.19Å; W738-F740 AromaticContact CH2-CZ 3.9Å; W738-F740 HydrophobicContact CH2-CZ 3.9Å; W738-F740 HydrophobicContact CZ3-CD1 4.36Å; W738-F740 HydrophobicContact CZ3-CD2 4.24Å; W738-F740 HydrophobicContact CZ3-CE1 4.22Å; W738-F740 HydrophobicContact CZ3-CE2 4.1Å; W738-F740 HydrophobicContact CZ3-CG 4.37Å; W738-F740 HydrophobicContact CZ3-CZ 4.09Å | ||
| 739 | H | 90.8 | Very high | 86.6 | Confident | 87 Ų | 87 | 64.3 Ų | 64.3 | 40% | 0.403 | 32% | 0.318 | S | S | . | . | trans | -149.2 | 160.2 | 178.5 | 66.1 | -81.4 | 0 | 0 | 0 | 110.2 | E726 E745 | E726-H739 WeakPolarHBondContact OE1-CB 3.26Å; H739-E745 IonicContact NE2-OE1 3.64Å; H739-E745 IonicContact NE2-OE2 3.88Å | ||
| 740 | F | 91.3 | Very high | 86.5 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 4% | 0.044 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 133.8 | 173.1 | -70.5 | -75 | 0 | 0 | 0 | 110.4 | I687 K689 C692 L722 A725 E726 I729 W738 | I687-F740 HydrophobicContact CB-CD1 4.09Å; I687-F740 HydrophobicContact CB-CE1 4.29Å; I687-F740 HydrophobicContact CG2-CD1 3.9Å; I687-F740 HydrophobicContact CG2-CE1 3.92Å; K689-F740 HydrophobicContact CB-CB 3.93Å; K689-F740 HydrophobicContact CG-CB 4.23Å; C692-F740 HydrophobicContact CB-CD1 4.28Å; C692-F740 HydrophobicContact CB-CE1 3.46Å; C692-F740 VanDerWaalsContact CB-CE1 3.46Å; C692-F740 HydrophobicContact CB-CZ 3.88Å; L722-F740 HydrophobicContact CD2-CD2 4.15Å; L722-F740 HydrophobicContact CD2-CE2 4.17Å; A725-F740 HydrophobicContact CB-CE2 4.3Å; E726-F740 HydrophobicContact CG-CD2 3.49Å; E726-F740 VanDerWaalsContact CG-CD2 3.49Å; E726-F740 HydrophobicContact CG-CE2 3.75Å; E726-F740 PolarHBondContact OE1-N 2.9Å; I729-F740 HydrophobicContact CD1-CZ 4.11Å; W738-F740 AromaticContact CH2-CD1 3.77Å; W738-F740 HydrophobicContact CH2-CD1 3.77Å; W738-F740 HydrophobicContact CH2-CD2 4.45Å; W738-F740 AromaticContact CH2-CE1 3.61Å; W738-F740 HydrophobicContact CH2-CE1 3.61Å; W738-F740 HydrophobicContact CH2-CE2 4.32Å; W738-F740 HydrophobicContact CH2-CG 4.19Å; W738-F740 AromaticContact CH2-CZ 3.9Å; W738-F740 HydrophobicContact CH2-CZ 3.9Å; W738-F740 HydrophobicContact CZ3-CD1 4.36Å; W738-F740 HydrophobicContact CZ3-CD2 4.24Å; W738-F740 HydrophobicContact CZ3-CE1 4.22Å; W738-F740 HydrophobicContact CZ3-CE2 4.1Å; W738-F740 HydrophobicContact CZ3-CG 4.37Å; W738-F740 HydrophobicContact CZ3-CZ 4.09Å |
| 741 | L | 90.8 | Very high | 86.2 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 141.8 | -177.4 | -58.4 | -175.8 | 0 | 0 | 0 | 110.9 | F686 I687 Q688 K689 E745 F746 Q749 | F686-L741 HydrophobicContact CB-CD1 3.89Å; F686-L741 HydrophobicContact CD1-CD1 3.99Å; F686-L741 HydrophobicContact CG-CD1 4.12Å; I687-L741 PolarHBondContact O-N 3.31Å; Q688-L741 WeakPolarHBondContact CA-O 3.04Å; K689-L741 PolarHBondContact N-O 2.84Å; L741-E745 HydrophobicContact CB-CB 4.16Å; L741-E745 HydrophobicContact CD2-CB 4.24Å; L741-F746 HydrophobicContact CB-CB 4.21Å; L741-F746 HydrophobicContact CD1-CB 4.4Å; L741-F746 HydrophobicContact CD1-CD2 4.23Å; L741-Q749 HydrophobicContact CD1-CG 4.31Å |
| 742 | T | 88.9 | Confident | 85.8 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -70 | 161.6 | 160.5 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | S744 E745 F746 | T742-S744 VanDerWaalsContact C-N 3.3Å; T742-S744 PolarHBondContact O-N 3.19Å; T742-S744 PolarHBondContact OG1-OG 3.31Å; T742-E745 PolarHBondContact N-OE2 3.09Å; T742-E745 PolarHBondContact O-N 2.86Å; T742-E745 WeakPolarHBondContact OG1-CB 3.46Å; T742-E745 VanDerWaalsContact OG1-CD 3.23Å; T742-E745 WeakPolarHBondContact OG1-CG 3.46Å; T742-E745 PolarHBondContact OG1-N 2.95Å; T742-E745 PolarHBondContact OG1-OE2 3.2Å; T742-F746 WeakPolarHBondContact O-CB 3.3Å; T742-F746 PolarHBondContact O-N 2.94Å |
| 743 | N | 86 | Confident | 85.5 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.5 | -44.1 | -179.8 | -168.6 | -2.8 | 0 | 0 | 0 | 112 | F746 H747 | N743-F746 PolarHBondContact O-N 2.91Å; N743-H747 PolarHBondContact O-CD2 2.87Å; N743-H747 VanDerWaalsContact O-CD2 3.3Å; N743-H747 PolarHBondContact O-N 3.33Å; N743-H747 PolarHBondContact OD1-CD2 3.05Å; N743-H747 PolarHBondContact OD1-NE2 3.23Å; N743-H747 VanDerWaalsContact OD1-NE2 3.17Å |
| 744 | S | 83.4 | Confident | 85.1 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 22% | 0.217 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177.2 | 52.8 | 0 | 0 | 0 | 0 | 113 | T742 F746 N748 | T742-S744 VanDerWaalsContact C-N 3.3Å; T742-S744 PolarHBondContact O-N 3.19Å; T742-S744 PolarHBondContact OG1-OG 3.31Å; S744-F746 VanDerWaalsContact C-N 3.35Å; S744-N748 WeakPolarHBondContact O-CB 3.27Å; S744-N748 PolarHBondContact O-N 3.48Å; S744-N748 PolarHBondContact O-ND2 2.93Å; S744-N748 VanDerWaalsContact O-ND2 3.1Å |
| 745 | E | 88 | Confident | 84.1 | Confident | 71 Ų | 71 | 70 Ų | 70 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.1 | -72.7 | 169.1 | 144.1 | 0 | 0 | 111.6 | H739 L741 T742 N748 Q749 | H739-E745 IonicContact NE2-OE1 3.64Å; H739-E745 IonicContact NE2-OE2 3.88Å; L741-E745 HydrophobicContact CB-CB 4.16Å; L741-E745 HydrophobicContact CD2-CB 4.24Å; T742-E745 PolarHBondContact N-OE2 3.09Å; T742-E745 PolarHBondContact O-N 2.86Å; T742-E745 WeakPolarHBondContact OG1-CB 3.46Å; T742-E745 VanDerWaalsContact OG1-CD 3.23Å; T742-E745 WeakPolarHBondContact OG1-CG 3.46Å; T742-E745 PolarHBondContact OG1-N 2.95Å; T742-E745 PolarHBondContact OG1-OE2 3.2Å; E745-N748 PolarHBondContact O-N 2.88Å; E745-Q749 WeakPolarHBondContact O-CB 3.47Å; E745-Q749 VanDerWaalsContact O-CG 3.26Å; E745-Q749 WeakPolarHBondContact O-CG 3.39Å; E745-Q749 PolarHBondContact O-N 3.31Å |
| 746 | F | 89.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -51 | 178.7 | -174.6 | -92.5 | 0 | 0 | 0 | 111.5 | L601 A648 L649 F686 Q688 L741 T742 N743 S744 N748 Q749 L750 | L601-F746 HydrophobicContact CD1-CE1 3.95Å; A648-F746 HydrophobicContact CB-CE2 4.01Å; A648-F746 HydrophobicContact CB-CZ 4.03Å; L649-F746 WeakPolarHBondContact O-CE2 3.4Å; F686-F746 HydrophobicContact CB-CD2 4.43Å; F686-F746 HydrophobicContact CB-CE2 4.29Å; Q688-F746 HydrophobicContact CB-CD2 4.35Å; L741-F746 HydrophobicContact CB-CB 4.21Å; L741-F746 HydrophobicContact CD1-CB 4.4Å; L741-F746 HydrophobicContact CD1-CD2 4.23Å; T742-F746 WeakPolarHBondContact O-CB 3.3Å; T742-F746 PolarHBondContact O-N 2.94Å; N743-F746 PolarHBondContact O-N 2.91Å; S744-F746 VanDerWaalsContact C-N 3.35Å; F746-N748 VanDerWaalsContact C-N 3.34Å; F746-N748 PolarHBondContact O-N 3.21Å; F746-Q749 PolarHBondContact O-N 3.05Å; F746-L750 HydrophobicContact CD1-CD1 3.93Å; F746-L750 HydrophobicContact CD2-CD1 4.09Å; F746-L750 HydrophobicContact CE1-CD1 3.42Å; F746-L750 VanDerWaalsContact CE1-CD1 3.42Å; F746-L750 HydrophobicContact CE2-CD1 3.61Å; F746-L750 HydrophobicContact CG-CD1 4.24Å; F746-L750 HydrophobicContact CZ-CD1 3.24Å; F746-L750 PolarHBondContact O-N 3.2Å; F746-L750 VanDerWaalsContact O-N 3.07Å |
| 747 | H | 86.4 | Confident | 84.5 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.8 | -80.8 | -68.8 | 0 | 0 | 0 | 113.2 | N743 L750 S751 L754 | N743-H747 PolarHBondContact O-CD2 2.87Å; N743-H747 VanDerWaalsContact O-CD2 3.3Å; N743-H747 PolarHBondContact O-N 3.33Å; N743-H747 PolarHBondContact OD1-CD2 3.05Å; N743-H747 PolarHBondContact OD1-NE2 3.23Å; N743-H747 VanDerWaalsContact OD1-NE2 3.17Å; H747-L750 CarbonylContact O-C 3.52Å; H747-L750 PolarHBondContact O-N 2.95Å; H747-S751 WeakPolarHBondContact O-CA 3.38Å; H747-S751 PolarHBondContact O-N 3.07Å; H747-L754 VanDerWaalsContact ND1-CD1 3.27Å; H747-L754 WeakPolarHBondContact ND1-CD1 3.31Å |
| 748 | N | 85.4 | Confident | 84.5 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 178.2 | -73.2 | -25.6 | 0 | 0 | 0 | 111.5 | S744 E745 F746 L750 S751 | S744-N748 WeakPolarHBondContact O-CB 3.27Å; S744-N748 PolarHBondContact O-N 3.48Å; S744-N748 PolarHBondContact O-ND2 2.93Å; S744-N748 VanDerWaalsContact O-ND2 3.1Å; E745-N748 PolarHBondContact O-N 2.88Å; F746-N748 VanDerWaalsContact C-N 3.34Å; F746-N748 PolarHBondContact O-N 3.21Å; N748-L750 VanDerWaalsContact C-N 3.29Å; N748-L750 PolarHBondContact O-N 3.32Å; N748-S751 PolarHBondContact O-N 3.42Å; N748-S751 PolarHBondContact O-OG 3.02Å; N748-S751 VanDerWaalsContact O-OG 3.06Å |
| 749 | Q | 86.8 | Confident | 84.1 | Confident | 117 Ų | 117 | 53.1 Ų | 53.1 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.7 | -34 | 177.5 | -70 | -65 | -25.3 | 0 | 0 | 112.6 | L741 E745 F746 | L741-Q749 HydrophobicContact CD1-CG 4.31Å; E745-Q749 WeakPolarHBondContact O-CB 3.47Å; E745-Q749 VanDerWaalsContact O-CG 3.26Å; E745-Q749 WeakPolarHBondContact O-CG 3.39Å; E745-Q749 PolarHBondContact O-N 3.31Å; F746-Q749 PolarHBondContact O-N 3.05Å |
| 750 | L | 87.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 13.9 | -175.9 | -63.9 | 171.4 | 0 | 0 | 0 | 113.9 | I599 L646 A648 F686 F746 H747 N748 N752 Y753 L754 | I599-L750 HydrophobicContact CD1-CD2 4.11Å; I599-L750 HydrophobicContact CG1-CD2 4.42Å; I599-L750 HydrophobicContact CG2-CD1 4.18Å; L646-L750 HydrophobicContact CD2-CD2 4.33Å; A648-L750 HydrophobicContact CB-CD1 3.56Å; A648-L750 HydrophobicContact CB-CD2 4.16Å; A648-L750 HydrophobicContact CB-CG 4.48Å; F686-L750 HydrophobicContact CD2-CD2 4.02Å; F686-L750 HydrophobicContact CD2-CG 4.48Å; F686-L750 HydrophobicContact CE2-CD2 4.45Å; F746-L750 HydrophobicContact CD1-CD1 3.93Å; F746-L750 HydrophobicContact CD2-CD1 4.09Å; F746-L750 HydrophobicContact CE1-CD1 3.42Å; F746-L750 VanDerWaalsContact CE1-CD1 3.42Å; F746-L750 HydrophobicContact CE2-CD1 3.61Å; F746-L750 HydrophobicContact CG-CD1 4.24Å; F746-L750 HydrophobicContact CZ-CD1 3.24Å; F746-L750 PolarHBondContact O-N 3.2Å; F746-L750 VanDerWaalsContact O-N 3.07Å; H747-L750 CarbonylContact O-C 3.52Å; H747-L750 PolarHBondContact O-N 2.95Å; N748-L750 VanDerWaalsContact C-N 3.29Å; N748-L750 PolarHBondContact O-N 3.32Å; L750-N752 PolarHBondContact O-N 3.22Å; L750-N752 VanDerWaalsContact O-N 3.09Å; L750-Y753 HydrophobicContact CD2-CD2 3.93Å; L750-Y753 HydrophobicContact CD2-CE2 4.41Å; L750-Y753 PolarHBondContact O-N 3.45Å; L750-L754 HydrophobicContact CB-CD1 3.86Å; L750-L754 HydrophobicContact CB-CG 3.99Å; L750-L754 WeakPolarHBondContact O-CG 3.42Å; L750-L754 PolarHBondContact O-N 2.68Å |
| 751 | S | 80.4 | Confident | 83.2 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.9 | -36 | -176.7 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | H747 N748 Y753 L755 | H747-S751 WeakPolarHBondContact O-CA 3.38Å; H747-S751 PolarHBondContact O-N 3.07Å; N748-S751 PolarHBondContact O-N 3.42Å; N748-S751 PolarHBondContact O-OG 3.02Å; N748-S751 VanDerWaalsContact O-OG 3.06Å; S751-Y753 VanDerWaalsContact C-N 3.31Å; S751-Y753 PolarHBondContact O-N 3.19Å; S751-L755 WeakPolarHBondContact O-CB 3.41Å; S751-L755 VanDerWaalsContact O-CD1 3.32Å; S751-L755 WeakPolarHBondContact O-CD1 3.45Å; S751-L755 WeakPolarHBondContact O-CG 3.5Å; S751-L755 PolarHBondContact O-N 2.84Å |
| 752 | N | 78.5 | Confident | 82.6 | Confident | 122 Ų | 122 | 56.6 Ų | 56.6 | 65% | 0.652 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -69.2 | -25.1 | 177.1 | -68.9 | -24.1 | 0 | 0 | 0 | 114.2 | L750 | L750-N752 PolarHBondContact O-N 3.22Å; L750-N752 VanDerWaalsContact O-N 3.09Å |
| 753 | Y | 81.2 | Confident | 82.2 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 28% | 0.282 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -96.4 | -27.4 | -179.4 | -65.2 | -85.6 | 0 | 0 | 0 | 112.9 | K524 I599 L646 L750 S751 | K524-Y753 WeakPolarHBondContact CE-O 3.43Å; I599-Y753 HydrophobicContact CD1-CD1 3.31Å; I599-Y753 HydrophobicContact CD1-CD2 3.68Å; I599-Y753 HydrophobicContact CD1-CE1 3.97Å; I599-Y753 HydrophobicContact CD1-CE2 4.29Å; I599-Y753 HydrophobicContact CD1-CG 3.13Å; L646-Y753 HydrophobicContact CD2-CD2 4.37Å; L646-Y753 HydrophobicContact CD2-CE1 4.33Å; L646-Y753 HydrophobicContact CD2-CE2 3.59Å; L750-Y753 HydrophobicContact CD2-CD2 3.93Å; L750-Y753 HydrophobicContact CD2-CE2 4.41Å; L750-Y753 PolarHBondContact O-N 3.45Å; S751-Y753 VanDerWaalsContact C-N 3.31Å; S751-Y753 PolarHBondContact O-N 3.19Å |
| 754 | L | 76.4 | Confident | 81.8 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -89.7 | -18.6 | -176 | -62.3 | 178.4 | 0 | 0 | 0 | 113.4 | K524 T566 I568 I599 H747 L750 | K524-L754 VanDerWaalsContact NZ-C 3.27Å; K524-L754 PolarHBondContact NZ-O 3.15Å; T566-L754 HydrophobicContact CG2-CD2 4.35Å; I568-L754 HydrophobicContact CD1-CD2 3.77Å; I568-L754 HydrophobicContact CG1-CD2 4.19Å; I599-L754 HydrophobicContact CG2-CD2 4.39Å; H747-L754 VanDerWaalsContact ND1-CD1 3.27Å; H747-L754 WeakPolarHBondContact ND1-CD1 3.31Å; L750-L754 HydrophobicContact CB-CD1 3.86Å; L750-L754 HydrophobicContact CB-CG 3.99Å; L750-L754 WeakPolarHBondContact O-CG 3.42Å; L750-L754 PolarHBondContact O-N 2.68Å |
| 755 | L | 59 | Low | 81.7 | Confident | 88 Ų | 88 | 56.5 Ų | 56.5 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | trans | -72.2 | 0 | 172.9 | -76.6 | 169.5 | 0 | 0 | 0 | 113.5 | R289 K524 S751 | R289-L755 PolarHBondContact NH1-O 2.88Å; K524-L755 VanDerWaalsContact NZ-C 3.3Å; K524-L755 PolarHBondContact NZ-OXT 3.21Å; S751-L755 WeakPolarHBondContact O-CB 3.41Å; S751-L755 VanDerWaalsContact O-CD1 3.32Å; S751-L755 WeakPolarHBondContact O-CD1 3.45Å; S751-L755 WeakPolarHBondContact O-CG 3.5Å; S751-L755 PolarHBondContact O-N 2.84Å |
Retrieved 755 of 755 residues in 261.4 ms
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