| 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 | 87.7 | Confident | 92.2 | Very high | 17 Ų | 17 | 18.4 Ų | 18.4 | 8% | 0.084 | 10% | 0.096 | C | C | . | . | 0 | 136.1 | 0 | -178 | 134.2 | -96.6 | 0 | 0 | 110.1 | C28 F31 V36 V39 F48 Y366 F373 H375 | M1-C28 PolarHBondContact O-N 3.19Å; M1-C28 VanDerWaalsContact O-N 3.11Å; M1-F31 HydrophobicContact CB-CD2 4.35Å; M1-V36 HydrophobicContact SD-CG1 4.25Å; M1-V39 HydrophobicContact CE-CG2 4.21Å; M1-V39 HydrophobicContact SD-CG2 4.04Å; M1-F48 HydrophobicContact SD-CD1 4.43Å; M1-F48 HydrophobicContact SD-CE1 4.32Å; M1-Y366 HydrophobicContact CE-CD2 4.3Å; M1-Y366 HydrophobicContact CE-CE2 4.23Å; M1-F373 HydrophobicContact CE-CB 4.34Å; M1-F373 HydrophobicContact CG-CD1 4.43Å; M1-F373 HydrophobicContact SD-CB 4.46Å; M1-F373 HydrophobicContact SD-CD1 4.45Å; M1-H375 VanDerWaalsContact CE-CA 3.45Å; M1-H375 HydrophobicContact CE-CB 3.44Å; M1-H375 VanDerWaalsContact CE-CB 3.44Å; M1-H375 VanDerWaalsContact CE-N 3.34Å | |||
| 2 | L | 91.6 | Very high | 92.3 | Very high | 15 Ų | 15 | 17 Ų | 17 | 8% | 0.079 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.2 | 171.1 | -66.3 | 168.5 | 0 | 0 | 0 | 110 | W4 P25 R26 R27 W345 F373 A374 Y376 | L2-W4 HydrophobicContact CB-CZ3 4.47Å; L2-P25 HydrophobicContact CB-CB 4.14Å; L2-P25 HydrophobicContact CD1-CB 4.34Å; L2-R26 CarbonylContact C-O 3.3Å; L2-R26 VanDerWaalsContact CA-O 3.3Å; L2-R26 WeakPolarHBondContact CA-O 3.01Å; L2-R27 HydrophobicContact CD2-CB 4.15Å; L2-W345 HydrophobicContact CD1-CH2 3.57Å; L2-W345 HydrophobicContact CD1-CZ3 3.48Å; L2-W345 VanDerWaalsContact CD1-CZ3 3.48Å; L2-F373 CarbonylContact O-C 3.58Å; L2-F373 VanDerWaalsContact O-CA 3.29Å; L2-F373 WeakPolarHBondContact O-CA 3.31Å; L2-A374 HydrophobicContact CB-CB 4.46Å; L2-A374 PolarHBondContact N-O 3.07Å; L2-A374 PolarHBondContact O-N 3.17Å; L2-Y376 HydrophobicContact CD1-CD1 3.92Å; L2-Y376 HydrophobicContact CD1-CE1 4.2Å; L2-Y376 HydrophobicContact CD2-CE1 4.14Å; L2-Y376 HydrophobicContact CG-CD1 3.69Å; L2-Y376 HydrophobicContact CG-CE1 3.65Å |
| 3 | C | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 144.5 | -178.3 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | L12 L14 R26 S372 F373 | C3-L12 HydrophobicContact CB-CB 4.38Å; C3-L12 HydrophobicContact CB-CD2 4.35Å; C3-L14 WeakPolarHBondContact SG-CD2 3.47Å; C3-L14 VanDerWaalsContact SG-CG 3.56Å; C3-R26 PolarHBondContact N-O 3.37Å; C3-R26 PolarHBondContact O-N 3.48Å; C3-R26 PolarHBondContact SG-O 3.29Å; C3-S372 WeakPolarHBondContact CA-O 2.91Å; C3-F373 HydrophobicContact CB-CD1 3.43Å; C3-F373 VanDerWaalsContact CB-CD1 3.43Å; C3-F373 HydrophobicContact CB-CE1 3.5Å; C3-F373 VanDerWaalsContact CB-CE1 3.5Å; C3-F373 HydrophobicContact CB-CG 4.44Å |
| 4 | W | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 165.4 | 176.7 | 62.7 | 97.3 | 0 | 0 | 0 | 110.9 | L2 L12 V22 P25 L307 Q326 G328 V341 S372 A374 | L2-W4 HydrophobicContact CB-CZ3 4.47Å; W4-L12 WeakPolarHBondContact O-CD2 3.36Å; W4-V22 HydrophobicContact CB-CG1 4.07Å; W4-P25 HydrophobicContact CD2-CB 4.33Å; W4-P25 HydrophobicContact CD2-CG 3.92Å; W4-P25 HydrophobicContact CE3-CB 3.68Å; W4-P25 HydrophobicContact CE3-CG 3.66Å; W4-P25 HydrophobicContact CG-CG 4.44Å; W4-P25 HydrophobicContact CZ3-CB 4.14Å; W4-P25 HydrophobicContact CZ3-CG 4.08Å; W4-L307 HydrophobicContact CZ2-CD1 4.18Å; W4-Q326 PolarHBondContact NE1-O 3.47Å; W4-G328 VanDerWaalsContact CD1-CA 3.42Å; W4-G328 VanDerWaalsContact CD1-N 3.32Å; W4-V341 HydrophobicContact CZ2-CG1 4.03Å; W4-V341 HydrophobicContact CZ2-CG2 4.47Å; W4-S372 VanDerWaalsContact CZ2-CB 3.47Å; W4-S372 PolarHBondContact N-O 3.13Å; W4-S372 PolarHBondContact O-N 3.35Å; W4-A374 HydrophobicContact CH2-CB 3.95Å; W4-A374 HydrophobicContact CZ3-CB 3.87Å |
| 5 | G | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 113.3 | -150.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A7 V22 N324 D370 | G5-A7 PolarHBondContact O-N 2.6Å; G5-V22 PolarHBondContact N-O 3.21Å; G5-V22 PolarHBondContact O-N 2.85Å; G5-N324 CarbonylContact C-O 3.09Å; G5-N324 WeakPolarHBondContact CA-O 3.04Å; G5-D370 WeakPolarHBondContact CA-O 3.44Å |
| 6 | N | 94.5 | Very high | 90.2 | Very high | 19 Ų | 19 | 20.1 Ų | 20.1 | 10% | 0.102 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 126.9 | -177.5 | -169.9 | -34.9 | 0 | 0 | 0 | 111.2 | S8 Q11 L12 N324 D370 | N6-S8 WeakPolarHBondContact OD1-CB 3.49Å; N6-S8 PolarHBondContact OD1-N 3.14Å; N6-S8 PolarHBondContact OD1-OG 3.14Å; N6-S8 VanDerWaalsContact OD1-OG 3.13Å; N6-Q11 WeakPolarHBondContact O-CG 3.19Å; N6-Q11 PolarHBondContact O-NE2 2.63Å; N6-Q11 PolarHBondContact OD1-NE2 3.05Å; N6-L12 WeakPolarHBondContact O-CG 3.34Å; N6-N324 HydrophobicContact CB-CB 3.97Å; N6-N324 PolarHBondContact N-O 3.24Å; N6-D370 HydrophobicContact CB-CB 3.88Å; N6-D370 PolarHBondContact N-O 3.22Å |
| 7 | A | 92.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 21.4 Ų | 21.4 | 6% | 0.058 | 14% | 0.138 | C | C | . | . | trans | -119.3 | 4.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | G5 Y9 G10 L12 I17 E20 V22 | G5-A7 PolarHBondContact O-N 2.6Å; A7-Y9 VanDerWaalsContact C-N 3.27Å; A7-Y9 PolarHBondContact O-N 3.41Å; A7-Y9 VanDerWaalsContact O-N 3.15Å; A7-G10 WeakPolarHBondContact O-CA 3.25Å; A7-G10 PolarHBondContact O-N 3.2Å; A7-L12 HydrophobicContact CB-CD1 3.86Å; A7-L12 HydrophobicContact CB-CG 4.14Å; A7-I17 HydrophobicContact CB-CD1 3.94Å; A7-E20 WeakPolarHBondContact CA-O 3.45Å; A7-E20 PolarHBondContact N-O 3.18Å; A7-V22 HydrophobicContact CB-CG2 4.33Å | ||
| 8 | S | 91.1 | Very high | 89 | Confident | 43 Ų | 43 | 29.1 Ų | 29.1 | 30% | 0.301 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -37.3 | -172.4 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | N6 E20 | N6-S8 WeakPolarHBondContact OD1-CB 3.49Å; N6-S8 PolarHBondContact OD1-N 3.14Å; N6-S8 PolarHBondContact OD1-OG 3.14Å; N6-S8 VanDerWaalsContact OD1-OG 3.13Å; S8-E20 PolarHBondContact N-O 3.43Å |
| 9 | Y | 90 | Very high | 88.7 | Confident | 95 Ų | 95 | 31.7 Ų | 31.7 | 37% | 0.373 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 0.3 | 177.2 | -59.8 | -82.5 | 0 | 0 | 0 | 112.9 | A7 R44 G59 C60 | A7-Y9 VanDerWaalsContact C-N 3.27Å; A7-Y9 PolarHBondContact O-N 3.41Å; A7-Y9 VanDerWaalsContact O-N 3.15Å; Y9-R44 HydrophobicContact CD2-CB 4.15Å; Y9-R44 HydrophobicContact CD2-CG 4.07Å; Y9-R44 HydrophobicContact CE2-CG 4.13Å; Y9-R44 HydrophobicContact CG-CB 4.44Å; Y9-G59 CarbonylContact O-C 3.56Å; Y9-G59 VanDerWaalsContact O-C 3.22Å; Y9-G59 WeakPolarHBondContact O-CA 3.23Å; Y9-C60 HydrophobicContact CD1-CB 4.06Å; Y9-C60 HydrophobicContact CG-CB 4.11Å |
| 10 | G | 90.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 83.4 | 15.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A7 L12 G13 C58 | A7-G10 WeakPolarHBondContact O-CA 3.25Å; A7-G10 PolarHBondContact O-N 3.2Å; G10-L12 PolarHBondContact O-N 2.91Å; G10-L12 VanDerWaalsContact O-N 3.14Å; G10-G13 PolarHBondContact O-N 3.24Å; G10-C58 PolarHBondContact O-SG 3.22Å |
| 11 | Q | 91.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9.5 | -176.2 | 65.7 | -90 | 34.9 | 0 | 0 | 115 | N6 T46 Q371 | N6-Q11 WeakPolarHBondContact O-CG 3.19Å; N6-Q11 PolarHBondContact O-NE2 2.63Å; N6-Q11 PolarHBondContact OD1-NE2 3.05Å; Q11-T46 VanDerWaalsContact O-CB 3.31Å; Q11-T46 WeakPolarHBondContact O-CB 3.4Å; Q11-T46 PolarHBondContact O-OG1 3.48Å; Q11-Q371 HydrophobicContact CG-CG 4.45Å |
| 12 | L | 93.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -15 | 169.3 | -60 | -173.2 | 0 | 0 | 0 | 113.5 | C3 W4 N6 A7 G10 L14 V22 Q371 F373 | C3-L12 HydrophobicContact CB-CB 4.38Å; C3-L12 HydrophobicContact CB-CD2 4.35Å; W4-L12 WeakPolarHBondContact O-CD2 3.36Å; N6-L12 WeakPolarHBondContact O-CG 3.34Å; A7-L12 HydrophobicContact CB-CD1 3.86Å; A7-L12 HydrophobicContact CB-CG 4.14Å; G10-L12 PolarHBondContact O-N 2.91Å; G10-L12 VanDerWaalsContact O-N 3.14Å; L12-L14 HydrophobicContact CB-CD1 4.22Å; L12-L14 HydrophobicContact CB-CG 4.14Å; L12-L14 HydrophobicContact CD1-CD1 4.04Å; L12-L14 PolarHBondContact O-N 3.41Å; L12-V22 HydrophobicContact CD1-CB 3.78Å; L12-V22 HydrophobicContact CD1-CG1 4.45Å; L12-V22 HydrophobicContact CD1-CG2 3.66Å; L12-Q371 HydrophobicContact CD2-CB 3.52Å; L12-F373 HydrophobicContact CD2-CE1 4.49Å; L12-F373 HydrophobicContact CD2-CZ 4.23Å |
| 13 | G | 90.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | 69.1 | 12.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G10 C28 C58 K73 P75 | G10-G13 PolarHBondContact O-N 3.24Å; G13-C28 PolarHBondContact O-SG 2.57Å; G13-C58 VanDerWaalsContact CA-SG 3.56Å; G13-K73 CarbonylContact C-O 3.53Å; G13-P75 VanDerWaalsContact O-CD 3.29Å; G13-P75 WeakPolarHBondContact O-CD 3.44Å | ||
| 14 | L | 89.8 | Confident | 89.1 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | trans | -66.6 | -37.2 | -179.5 | -72.8 | 172.1 | 0 | 0 | 0 | 112.5 | C3 L12 I17 V22 R26 R27 C28 | C3-L14 WeakPolarHBondContact SG-CD2 3.47Å; C3-L14 VanDerWaalsContact SG-CG 3.56Å; L12-L14 HydrophobicContact CB-CD1 4.22Å; L12-L14 HydrophobicContact CB-CG 4.14Å; L12-L14 HydrophobicContact CD1-CD1 4.04Å; L12-L14 PolarHBondContact O-N 3.41Å; L14-I17 HydrophobicContact CB-CD1 3.91Å; L14-I17 HydrophobicContact CB-CG1 4.36Å; L14-I17 HydrophobicContact CB-CG2 4.21Å; L14-I17 HydrophobicContact CD1-CD1 3.65Å; L14-I17 HydrophobicContact CG-CD1 4.41Å; L14-V22 HydrophobicContact CD1-CG2 3.99Å; L14-R26 HydrophobicContact CD1-CB 4.23Å; L14-R26 HydrophobicContact CD2-CB 4.28Å; L14-R27 WeakPolarHBondContact CD2-O 3.14Å; L14-C28 HydrophobicContact CD2-CB 4.13Å | ||
| 15 | G | 81.7 | Confident | 89 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | trans | 68.4 | 133.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I17 K73 K74 | G15-I17 PolarHBondContact O-N 3.05Å; G15-I17 VanDerWaalsContact O-N 3.14Å; G15-K73 VanDerWaalsContact CA-O 3.26Å; G15-K73 WeakPolarHBondContact CA-O 3.39Å; G15-K73 PolarHBondContact N-O 3.42Å; G15-K74 VanDerWaalsContact CA-CG 3.5Å | ||
| 16 | G | 73.1 | Confident | 88.8 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 76% | 0.763 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 64.4 | 19.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 17 | I | 81.9 | Confident | 88.5 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | trans | -91.3 | 140.2 | 168 | 63.9 | 172.3 | 0 | 0 | 0 | 109.7 | A7 L14 G15 V22 | A7-I17 HydrophobicContact CB-CD1 3.94Å; L14-I17 HydrophobicContact CB-CD1 3.91Å; L14-I17 HydrophobicContact CB-CG1 4.36Å; L14-I17 HydrophobicContact CB-CG2 4.21Å; L14-I17 HydrophobicContact CD1-CD1 3.65Å; L14-I17 HydrophobicContact CG-CD1 4.41Å; G15-I17 PolarHBondContact O-N 3.05Å; G15-I17 VanDerWaalsContact O-N 3.14Å; I17-V22 HydrophobicContact CD1-CG2 3.97Å | ||
| 18 | D | 77.3 | Confident | 88.4 | Confident | 160 Ų | 160 | 50.7 Ų | 50.7 | 86% | 0.856 | 27% | 0.271 | S | S | * | . | trans | -83 | -23.4 | 172.2 | -65.1 | -32.1 | 0 | 0 | 0 | 111.5 | E20 | D18-E20 PolarHBondContact O-N 3.32Š| ||
| 19 | D | 83.1 | Confident | 88.2 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | trans | -64.6 | 116.5 | 177.9 | -64.5 | -28.7 | 0 | 0 | 0 | 111.2 | I21 R26 | D19-I21 VanDerWaalsContact C-N 3.29Å; D19-R26 IonicContact OD2-CZ 2.7Å; D19-R26 VanDerWaalsContact OD2-CZ 3.24Å; D19-R26 IonicContact OD2-NH1 2.72Å; D19-R26 PolarHBondContact OD2-NH1 3Å; D19-R26 IonicContact OD2-NH2 3.92Å; D19-R26 PolarHBondContact OD2-NH2 3.3Å | ||
| 20 | E | 87.7 | Confident | 88.1 | Confident | 130 Ų | 130 | 52.8 Ų | 52.8 | 61% | 0.607 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -76.3 | -19.3 | 172.5 | -63.7 | -168.7 | 170.5 | 0 | 0 | 112.8 | A7 S8 D18 | A7-E20 WeakPolarHBondContact CA-O 3.45Å; A7-E20 PolarHBondContact N-O 3.18Å; S8-E20 PolarHBondContact N-O 3.43Å; D18-E20 PolarHBondContact O-N 3.32Å |
| 21 | I | 93 | Very high | 87.9 | Confident | 65 Ų | 65 | 53 Ų | 53 | 33% | 0.333 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.6 | -176.9 | -65 | 171.6 | 0 | 0 | 0 | 109.3 | D19 V23 N324 T332 | D19-I21 VanDerWaalsContact C-N 3.29Å; I21-V23 HydrophobicContact CG2-CG1 3.77Å; I21-N324 VanDerWaalsContact CG2-C 3.47Å; I21-N324 WeakPolarHBondContact CG2-O 3.41Å; I21-T332 HydrophobicContact CG2-CG2 4.44Å |
| 22 | V | 94.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 104.4 | 177.3 | 178 | 0 | 0 | 0 | 0 | 108.8 | W4 G5 A7 L12 L14 I17 E24 R26 | W4-V22 HydrophobicContact CB-CG1 4.07Å; G5-V22 PolarHBondContact N-O 3.21Å; G5-V22 PolarHBondContact O-N 2.85Å; A7-V22 HydrophobicContact CB-CG2 4.33Å; L12-V22 HydrophobicContact CD1-CB 3.78Å; L12-V22 HydrophobicContact CD1-CG1 4.45Å; L12-V22 HydrophobicContact CD1-CG2 3.66Å; L14-V22 HydrophobicContact CD1-CG2 3.99Å; I17-V22 HydrophobicContact CD1-CG2 3.97Å; V22-E24 WeakPolarHBondContact CG1-O 3.49Å; V22-R26 HydrophobicContact CG1-CB 4.29Å; V22-R26 HydrophobicContact CG1-CG 3.77Å |
| 23 | V | 93.4 | Very high | 86.8 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 26% | 0.255 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -4.7 | -172.3 | -62.1 | 0 | 0 | 0 | 0 | 115.1 | I21 G328 T329 R330 T332 | I21-V23 HydrophobicContact CG2-CG1 3.77Å; V23-G328 CarbonylContact O-C 2.92Å; V23-G328 WeakPolarHBondContact O-CA 3.38Å; V23-T329 PolarHBondContact O-N 3.2Å; V23-R330 WeakPolarHBondContact O-CA 3.15Å; V23-R330 PolarHBondContact O-N 2.8Å; V23-T332 HydrophobicContact CG1-CG2 3.78Å |
| 24 | E | 91.2 | Very high | 86.6 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.5 | 175.3 | 67.1 | -177.9 | 168.8 | 0 | 0 | 110.6 | V22 R26 R330 | V22-E24 WeakPolarHBondContact CG1-O 3.49Å; E24-R26 PolarHBondContact O-N 2.64Å; E24-R330 HydrophobicContact CB-CG 4.07Å; E24-R330 WeakPolarHBondContact OE2-CG 3.33Å; E24-R330 IonicContact OE2-CZ 2.69Å; E24-R330 IonicContact OE2-NE 2.79Å; E24-R330 PolarHBondContact OE2-NE 3.47Å; E24-R330 IonicContact OE2-NH2 3.82Å; E24-R330 PolarHBondContact OE2-NH2 2.81Å |
| 25 | P | 93 | Very high | 86.4 | Confident | 23 Ų | 23 | 73 Ų | 73 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 121.8 | 179.5 | -26.1 | 35.9 | 0 | 0 | 0 | 112.8 | L2 W4 V341 K342 W345 | L2-P25 HydrophobicContact CB-CB 4.14Å; L2-P25 HydrophobicContact CD1-CB 4.34Å; W4-P25 HydrophobicContact CD2-CB 4.33Å; W4-P25 HydrophobicContact CD2-CG 3.92Å; W4-P25 HydrophobicContact CE3-CB 3.68Å; W4-P25 HydrophobicContact CE3-CG 3.66Å; W4-P25 HydrophobicContact CG-CG 4.44Å; W4-P25 HydrophobicContact CZ3-CB 4.14Å; W4-P25 HydrophobicContact CZ3-CG 4.08Å; P25-V341 HydrophobicContact CG-CG1 3.64Å; P25-K342 WeakPolarHBondContact CD-O 3.16Å; P25-K342 WeakPolarHBondContact CG-O 3.43Å; P25-W345 HydrophobicContact CB-CH2 4.28Å; P25-W345 HydrophobicContact CB-CZ2 4.4Å; P25-W345 HydrophobicContact CG-CH2 4.16Å; P25-W345 HydrophobicContact CG-CZ2 3.85Å |
| 26 | R | 91.1 | Very high | 86.7 | Confident | 79 Ų | 79 | 72.5 Ų | 72.5 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 145.3 | 174.2 | -69.1 | -174.1 | -176.9 | 174.5 | 3 | 110.8 | L2 C3 L14 D19 V22 E24 | L2-R26 CarbonylContact C-O 3.3Å; L2-R26 VanDerWaalsContact CA-O 3.3Å; L2-R26 WeakPolarHBondContact CA-O 3.01Å; C3-R26 PolarHBondContact N-O 3.37Å; C3-R26 PolarHBondContact O-N 3.48Å; C3-R26 PolarHBondContact SG-O 3.29Å; L14-R26 HydrophobicContact CD1-CB 4.23Å; L14-R26 HydrophobicContact CD2-CB 4.28Å; D19-R26 IonicContact OD2-CZ 2.7Å; D19-R26 VanDerWaalsContact OD2-CZ 3.24Å; D19-R26 IonicContact OD2-NH1 2.72Å; D19-R26 PolarHBondContact OD2-NH1 3Å; D19-R26 IonicContact OD2-NH2 3.92Å; D19-R26 PolarHBondContact OD2-NH2 3.3Å; V22-R26 HydrophobicContact CG1-CB 4.29Å; V22-R26 HydrophobicContact CG1-CG 3.77Å; E24-R26 PolarHBondContact O-N 2.64Å |
| 27 | R | 89.2 | Confident | 87.4 | Confident | 112 Ų | 112 | 70.2 Ų | 70.2 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.3 | 175.8 | -172.9 | 177.5 | -179.3 | 169.8 | 7.7 | 110.2 | L2 L14 E29 H32 | L2-R27 HydrophobicContact CD2-CB 4.15Å; L14-R27 WeakPolarHBondContact CD2-O 3.14Å; R27-E29 VanDerWaalsContact CD-OE1 3.3Å; R27-E29 WeakPolarHBondContact CD-OE1 3.25Å; R27-E29 IonicContact NE-OE1 3.54Å; R27-H32 PolarHBondContact NH2-CE1 2.84Å; R27-H32 PolarHBondContact NH2-ND1 3.01Å |
| 28 | C | 89.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | trans | -90.1 | 108.5 | 168.7 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | M1 G13 L14 F30 F31 | M1-C28 PolarHBondContact O-N 3.19Å; M1-C28 VanDerWaalsContact O-N 3.11Å; G13-C28 PolarHBondContact O-SG 2.57Å; L14-C28 HydrophobicContact CD2-CB 4.13Å; C28-F30 PolarHBondContact O-N 3.34Å; C28-F31 HydrophobicContact CB-CD2 4.06Å; C28-F31 PolarHBondContact O-N 2.91Å | ||
| 29 | E | 86.8 | Confident | 88.6 | Confident | 119 Ų | 119 | 62 Ų | 62 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -64.8 | -24.7 | -177.8 | -65.8 | -52.8 | 134.9 | 0 | 0 | 113.4 | R27 F31 H32 | R27-E29 VanDerWaalsContact CD-OE1 3.3Å; R27-E29 WeakPolarHBondContact CD-OE1 3.25Å; R27-E29 IonicContact NE-OE1 3.54Å; E29-F31 PolarHBondContact O-N 2.59Å; E29-H32 VanDerWaalsContact O-CB 3.23Å; E29-H32 WeakPolarHBondContact O-CB 3.31Å; E29-H32 PolarHBondContact O-N 2.92Å |
| 30 | F | 88.1 | Confident | 89.2 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -57.6 | -32.7 | 178 | 176.2 | -94 | 0 | 0 | 0 | 113.2 | C28 H32 K34 Y56 P75 | C28-F30 PolarHBondContact O-N 3.34Å; F30-H32 VanDerWaalsContact C-N 3.33Å; F30-K34 HydrophobicContact CE1-CD 4.31Å; F30-Y56 AromaticContact CE1-CD1 3.95Å; F30-Y56 HydrophobicContact CE1-CD1 3.95Å; F30-Y56 HydrophobicContact CE1-CE1 4.25Å; F30-Y56 HydrophobicContact CE1-CG 4.24Å; F30-Y56 HydrophobicContact CE2-CE1 4.49Å; F30-Y56 AromaticContact CZ-CD1 3.51Å; F30-Y56 HydrophobicContact CZ-CD1 3.51Å; F30-Y56 AromaticContact CZ-CE1 3.51Å; F30-Y56 HydrophobicContact CZ-CE1 3.51Å; F30-Y56 HydrophobicContact CZ-CG 4.24Å; F30-P75 HydrophobicContact CB-CG 4.47Å; F30-P75 HydrophobicContact CD1-CB 3.79Å; F30-P75 HydrophobicContact CD1-CG 3.72Å; F30-P75 HydrophobicContact CE1-CB 3.64Å; F30-P75 HydrophobicContact CE1-CG 4.13Å; F30-P75 HydrophobicContact CG-CB 4.29Å; F30-P75 HydrophobicContact CG-CG 4.05Å; F30-P75 HydrophobicContact CZ-CB 4.01Å |
| 31 | F | 86.9 | Confident | 89.5 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -92.7 | 11.4 | -179.9 | -61.9 | -70.6 | 0 | 0 | 0 | 113 | M1 C28 E29 G33 K34 V36 F48 L50 P75 | M1-F31 HydrophobicContact CB-CD2 4.35Å; C28-F31 HydrophobicContact CB-CD2 4.06Å; C28-F31 PolarHBondContact O-N 2.91Å; E29-F31 PolarHBondContact O-N 2.59Å; F31-G33 PolarHBondContact O-N 3.48Å; F31-K34 HydrophobicContact CD1-CB 4.46Å; F31-K34 PolarHBondContact O-N 2.96Å; F31-V36 HydrophobicContact CB-CG2 4.36Å; F31-V36 HydrophobicContact CD1-CG2 3.49Å; F31-V36 VanDerWaalsContact CD1-CG2 3.49Å; F31-V36 HydrophobicContact CE1-CG2 3.89Å; F31-V36 HydrophobicContact CG-CG2 3.95Å; F31-F48 HydrophobicContact CE1-CB 4.06Å; F31-F48 HydrophobicContact CE1-CD1 4.47Å; F31-F48 HydrophobicContact CE1-CG 4.18Å; F31-F48 AromaticContact CE2-CD1 3.97Å; F31-F48 HydrophobicContact CE2-CD1 3.97Å; F31-F48 HydrophobicContact CE2-CD2 4.32Å; F31-F48 AromaticContact CE2-CE1 3.98Å; F31-F48 HydrophobicContact CE2-CE1 3.98Å; F31-F48 HydrophobicContact CE2-CE2 4.31Å; F31-F48 HydrophobicContact CE2-CG 4.15Å; F31-F48 HydrophobicContact CE2-CZ 4.14Å; F31-F48 HydrophobicContact CZ-CB 3.8Å; F31-F48 AromaticContact CZ-CD1 3.65Å; F31-F48 HydrophobicContact CZ-CD1 3.65Å; F31-F48 AromaticContact CZ-CD2 3.67Å; F31-F48 HydrophobicContact CZ-CD2 3.67Å; F31-F48 HydrophobicContact CZ-CE1 4.1Å; F31-F48 HydrophobicContact CZ-CE2 4.1Å; F31-F48 AromaticContact CZ-CG 3.42Å; F31-F48 HydrophobicContact CZ-CG 3.42Å; F31-F48 VanDerWaalsContact CZ-CG 3.42Å; F31-F48 HydrophobicContact CZ-CZ 4.3Å; F31-L50 HydrophobicContact CD1-CD2 4.22Å; F31-L50 HydrophobicContact CE1-CD2 4.15Å; F31-P75 HydrophobicContact CE2-CG 3.99Å; F31-P75 HydrophobicContact CZ-CB 4.23Å; F31-P75 HydrophobicContact CZ-CG 3.91Å |
| 32 | H | 83.8 | Confident | 89.6 | Confident | 119 Ų | 119 | 50.3 Ų | 50.3 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 124.6 | 170.6 | -171.7 | 101.2 | 0 | 0 | 0 | 109.8 | R27 E29 F30 K34 | R27-H32 PolarHBondContact NH2-CE1 2.84Å; R27-H32 PolarHBondContact NH2-ND1 3.01Å; E29-H32 VanDerWaalsContact O-CB 3.23Å; E29-H32 WeakPolarHBondContact O-CB 3.31Å; E29-H32 PolarHBondContact O-N 2.92Å; F30-H32 VanDerWaalsContact C-N 3.33Å; H32-K34 PolarHBondContact O-N 3.47Å |
| 33 | G | 78.8 | Confident | 89.6 | Confident | 81 Ų | 81 | 53.7 Ų | 53.7 | 84% | 0.835 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 3.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | F31 | F31-G33 PolarHBondContact O-N 3.48Š|
| 34 | K | 86.4 | Confident | 89.6 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 32% | 0.317 | 27% | 0.271 | S | S | . | . | trans | -108.2 | 138 | 174.7 | -60.3 | -174.5 | -179.9 | -173.7 | 0 | 110.2 | F30 F31 H32 L50 | F30-K34 HydrophobicContact CE1-CD 4.31Å; F31-K34 HydrophobicContact CD1-CB 4.46Å; F31-K34 PolarHBondContact O-N 2.96Å; H32-K34 PolarHBondContact O-N 3.47Å; K34-L50 HydrophobicContact CB-CD1 4.41Å; K34-L50 HydrophobicContact CB-CD2 4.35Å; K34-L50 HydrophobicContact CD-CD1 4.06Å | ||
| 35 | R | 85 | Confident | 89.8 | Confident | 179 Ų | 179 | 53.2 Ų | 53.2 | 68% | 0.675 | 26% | 0.256 | S | S | * | . | trans | -97.5 | 114.9 | 177.8 | -58.1 | -168.6 | -54.7 | -152.9 | -4.4 | 110.2 | L50 D51 | R35-L50 VanDerWaalsContact O-CA 3.28Å; R35-L50 WeakPolarHBondContact O-CA 3.41Å; R35-D51 HydrophobicContact CB-CB 4.27Å; R35-D51 WeakPolarHBondContact CB-OD2 3.34Å; R35-D51 WeakPolarHBondContact CD-OD2 3.45Å; R35-D51 IonicContact CZ-OD2 3.48Å; R35-D51 IonicContact NE-OD2 3.51Å; R35-D51 PolarHBondContact NE-OD2 3.02Å; R35-D51 IonicContact NH2-OD2 3.14Å; R35-D51 PolarHBondContact O-N 3.39Å | ||
| 36 | V | 88.4 | Confident | 89.9 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.7 | 179.1 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | M1 F31 V39 L49 L50 H375 | M1-V36 HydrophobicContact SD-CG1 4.25Å; F31-V36 HydrophobicContact CB-CG2 4.36Å; F31-V36 HydrophobicContact CD1-CG2 3.49Å; F31-V36 VanDerWaalsContact CD1-CG2 3.49Å; F31-V36 HydrophobicContact CE1-CG2 3.89Å; F31-V36 HydrophobicContact CG-CG2 3.95Å; V36-V39 HydrophobicContact CG1-CG2 3.85Å; V36-L49 CarbonylContact C-O 3.49Å; V36-L49 WeakPolarHBondContact CA-O 3.37Å; V36-L49 WeakPolarHBondContact CG1-O 2.91Å; V36-L50 HydrophobicContact CG2-CD2 3.87Å; V36-H375 PolarHBondContact O-CE1 3.31Å; V36-H375 PolarHBondContact O-ND1 2.73Å; V36-H375 VanDerWaalsContact O-ND1 3.14Å |
| 37 | S | 87.5 | Confident | 90.2 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -38.5 | -178.8 | 59 | 0 | 0 | 0 | 0 | 112.6 | L49 L50 D51 R364 Y366 | S37-L49 PolarHBondContact N-O 3.38Å; S37-L49 WeakPolarHBondContact OG-CD2 3.27Å; S37-L49 WeakPolarHBondContact OG-CG 3.36Å; S37-L49 PolarHBondContact OG-O 3.24Å; S37-L50 PolarHBondContact OG-O 2.89Å; S37-D51 VanDerWaalsContact CB-OD1 3.28Å; S37-D51 WeakPolarHBondContact CB-OD1 3.28Å; S37-R364 PolarHBondContact O-NH1 2.94Å; S37-Y366 PolarHBondContact O-OH 3.46Å |
| 38 | D | 90.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 155.8 | -175.6 | -147.3 | -8.4 | 0 | 0 | 0 | 112.6 | L49 Y366 R395 | D38-L49 HydrophobicContact CB-CB 3.92Å; D38-L49 HydrophobicContact CB-CD2 3.99Å; D38-L49 PolarHBondContact N-O 2.95Å; D38-L49 PolarHBondContact O-N 3.02Å; D38-Y366 WeakPolarHBondContact OD1-CE1 3.19Å; D38-R395 IonicContact OD2-CZ 2.84Å; D38-R395 IonicContact OD2-NH1 3.61Å; D38-R395 IonicContact OD2-NH2 2.77Å; D38-R395 PolarHBondContact OD2-NH2 2.63Å; D38-R395 VanDerWaalsContact OD2-NH2 3.1Å |
| 39 | V | 94.3 | Very high | 90.8 | Very high | 10 Ų | 10 | 43 Ų | 43 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 119.5 | 178.9 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | M1 V36 T46 A47 F48 Y366 F373 | M1-V39 HydrophobicContact CE-CG2 4.21Å; M1-V39 HydrophobicContact SD-CG2 4.04Å; V36-V39 HydrophobicContact CG1-CG2 3.85Å; V39-T46 HydrophobicContact CG1-CG2 3.51Å; V39-A47 CarbonylContact C-O 3.58Å; V39-A47 WeakPolarHBondContact CA-O 3.28Å; V39-F48 HydrophobicContact CG1-CD1 3.93Å; V39-F48 HydrophobicContact CG1-CE1 3.95Å; V39-F48 HydrophobicContact CG2-CD1 3.93Å; V39-F48 HydrophobicContact CG2-CE1 4.41Å; V39-Y366 HydrophobicContact CB-CD1 3.82Å; V39-Y366 HydrophobicContact CB-CD2 4.09Å; V39-Y366 HydrophobicContact CB-CE1 4.08Å; V39-Y366 HydrophobicContact CB-CE2 4.35Å; V39-Y366 HydrophobicContact CB-CG 3.82Å; V39-Y366 HydrophobicContact CG2-CD1 4.43Å; V39-Y366 HydrophobicContact CG2-CD2 3.94Å; V39-Y366 HydrophobicContact CG2-CE1 4.41Å; V39-Y366 HydrophobicContact CG2-CE2 3.92Å; V39-Y366 HydrophobicContact CG2-CG 4.2Å; V39-F373 HydrophobicContact CG1-CD2 4.35Å; V39-F373 HydrophobicContact CG1-CE2 4.5Å |
| 40 | G | 95 | Very high | 91.1 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T46 A47 C91 | G40-T46 WeakPolarHBondContact O-CA 3.44Å; G40-A47 PolarHBondContact N-O 3.32Å; G40-A47 PolarHBondContact O-N 2.93Å; G40-C91 PolarHBondContact O-SG 2.65Å |
| 41 | C | 94.6 | Very high | 91.1 | Very high | 21 Ų | 21 | 38.6 Ų | 38.6 | 14% | 0.142 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 111 | -176.6 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | G368 F373 | C41-G368 VanDerWaalsContact CB-CA 3.41Å; C41-F373 VanDerWaalsContact SG-CE2 3.57Å |
| 42 | G | 94.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | trans | -88.8 | -173 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | H45 C91 G92 Q371 | G42-H45 WeakPolarHBondContact CA-O 3.31Å; G42-H45 PolarHBondContact N-O 3.06Å; G42-C91 VanDerWaalsContact N-CB 3.32Å; G42-G92 WeakPolarHBondContact CA-O 3.11Å; G42-Q371 PolarHBondContact O-NE2 3.42Å | ||
| 43 | R | 93.2 | Very high | 91.7 | Very high | 71 Ų | 71 | 37.7 Ų | 37.7 | 27% | 0.268 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -68.9 | -37.2 | -178.7 | -172 | 175.8 | -176.2 | 154.8 | 6.8 | 113 | E93 | R43-E93 HydrophobicContact CB-CG 3.88Å; R43-E93 WeakPolarHBondContact CD-OE1 3.15Å; R43-E93 HydrophobicContact CG-CG 4.49Å; R43-E93 IonicContact CZ-OE1 3.25Å; R43-E93 PolarHBondContact N-O 3.15Å; R43-E93 IonicContact NE-OE1 3.71Å; R43-E93 IonicContact NH1-OE1 3.09Å; R43-E93 PolarHBondContact NH1-OE1 3.29Å |
| 44 | R | 94.1 | Very high | 92.5 | Very high | 99 Ų | 99 | 35.2 Ų | 35.2 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -135.6 | 10.2 | -175.6 | -60.7 | -176.9 | -177.2 | 172.3 | 1.7 | 113.4 | Y9 C60 | Y9-R44 HydrophobicContact CD2-CB 4.15Å; Y9-R44 HydrophobicContact CD2-CG 4.07Å; Y9-R44 HydrophobicContact CE2-CG 4.13Å; Y9-R44 HydrophobicContact CG-CB 4.44Å; R44-C60 HydrophobicContact CB-CB 3.65Å; R44-C60 WeakPolarHBondContact O-CB 3.35Å; R44-C60 PolarHBondContact O-N 3.01Å |
| 45 | H | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 159.6 | 178.4 | 72.5 | -67.7 | 0 | 0 | 0 | 110.7 | G42 C58 Q65 L66 T96 Q371 | G42-H45 WeakPolarHBondContact CA-O 3.31Å; G42-H45 PolarHBondContact N-O 3.06Å; H45-C58 WeakPolarHBondContact CA-O 3.49Å; H45-Q65 HydrophobicContact CB-CG 4.03Å; H45-L66 HydrophobicContact CB-CD2 3.66Å; H45-T96 PolarHBondContact NE2-OG1 2.81Å; H45-Q371 PolarHBondContact O-NE2 2.96Å |
| 46 | T | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.3 | 176.9 | -54 | 0 | 0 | 0 | 0 | 109 | Q11 V39 G40 F48 T57 C58 Q371 F373 | Q11-T46 VanDerWaalsContact O-CB 3.31Å; Q11-T46 WeakPolarHBondContact O-CB 3.4Å; Q11-T46 PolarHBondContact O-OG1 3.48Å; V39-T46 HydrophobicContact CG1-CG2 3.51Å; G40-T46 WeakPolarHBondContact O-CA 3.44Å; T46-F48 HydrophobicContact CG2-CD1 4.39Å; T46-F48 HydrophobicContact CG2-CD2 4.33Å; T46-F48 HydrophobicContact CG2-CE1 3.8Å; T46-F48 HydrophobicContact CG2-CE2 3.74Å; T46-F48 HydrophobicContact CG2-CZ 3.44Å; T46-F48 VanDerWaalsContact CG2-CZ 3.44Å; T46-T57 WeakPolarHBondContact O-CA 3.46Å; T46-C58 PolarHBondContact N-O 3.4Å; T46-C58 PolarHBondContact O-N 2.93Å; T46-Q371 PolarHBondContact OG1-NE2 3.43Å; T46-F373 HydrophobicContact CG2-CE2 3.96Å; T46-F373 HydrophobicContact CG2-CZ 3.78Å |
| 47 | A | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V39 G40 Y56 T57 L89 T96 | V39-A47 CarbonylContact C-O 3.58Å; V39-A47 WeakPolarHBondContact CA-O 3.28Å; G40-A47 PolarHBondContact N-O 3.32Å; G40-A47 PolarHBondContact O-N 2.93Å; A47-Y56 CarbonylContact C-O 3.5Å; A47-Y56 WeakPolarHBondContact CA-O 3.46Å; A47-T57 HydrophobicContact CB-CG2 3.81Å; A47-L89 HydrophobicContact CB-CD1 3.9Å; A47-T96 HydrophobicContact CB-CG2 4.35Å |
| 48 | F | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.6 | -178.6 | -55.7 | -89.1 | 0 | 0 | 0 | 108.8 | M1 F31 V39 T46 V55 Y56 P75 F373 | M1-F48 HydrophobicContact SD-CD1 4.43Å; M1-F48 HydrophobicContact SD-CE1 4.32Å; F31-F48 HydrophobicContact CE1-CB 4.06Å; F31-F48 HydrophobicContact CE1-CD1 4.47Å; F31-F48 HydrophobicContact CE1-CG 4.18Å; F31-F48 AromaticContact CE2-CD1 3.97Å; F31-F48 HydrophobicContact CE2-CD1 3.97Å; F31-F48 HydrophobicContact CE2-CD2 4.32Å; F31-F48 AromaticContact CE2-CE1 3.98Å; F31-F48 HydrophobicContact CE2-CE1 3.98Å; F31-F48 HydrophobicContact CE2-CE2 4.31Å; F31-F48 HydrophobicContact CE2-CG 4.15Å; F31-F48 HydrophobicContact CE2-CZ 4.14Å; F31-F48 HydrophobicContact CZ-CB 3.8Å; F31-F48 AromaticContact CZ-CD1 3.65Å; F31-F48 HydrophobicContact CZ-CD1 3.65Å; F31-F48 AromaticContact CZ-CD2 3.67Å; F31-F48 HydrophobicContact CZ-CD2 3.67Å; F31-F48 HydrophobicContact CZ-CE1 4.1Å; F31-F48 HydrophobicContact CZ-CE2 4.1Å; F31-F48 AromaticContact CZ-CG 3.42Å; F31-F48 HydrophobicContact CZ-CG 3.42Å; F31-F48 VanDerWaalsContact CZ-CG 3.42Å; F31-F48 HydrophobicContact CZ-CZ 4.3Å; V39-F48 HydrophobicContact CG1-CD1 3.93Å; V39-F48 HydrophobicContact CG1-CE1 3.95Å; V39-F48 HydrophobicContact CG2-CD1 3.93Å; V39-F48 HydrophobicContact CG2-CE1 4.41Å; T46-F48 HydrophobicContact CG2-CD1 4.39Å; T46-F48 HydrophobicContact CG2-CD2 4.33Å; T46-F48 HydrophobicContact CG2-CE1 3.8Å; T46-F48 HydrophobicContact CG2-CE2 3.74Å; T46-F48 HydrophobicContact CG2-CZ 3.44Å; T46-F48 VanDerWaalsContact CG2-CZ 3.44Å; F48-V55 WeakPolarHBondContact O-CA 3.49Å; F48-Y56 PolarHBondContact N-O 3.44Å; F48-Y56 PolarHBondContact O-N 2.83Å; F48-P75 HydrophobicContact CE2-CG 4.25Å; F48-F373 HydrophobicContact CE1-CD1 4.24Å; F48-F373 AromaticContact CE1-CE1 3.93Å; F48-F373 HydrophobicContact CE1-CE1 3.93Å; F48-F373 HydrophobicContact CE1-CZ 4.43Å; F48-F373 AromaticContact CZ-CE1 3.92Å; F48-F373 HydrophobicContact CZ-CE1 3.92Å; F48-F373 HydrophobicContact CZ-CZ 4.24Å |
| 49 | L | 95 | Very high | 94.3 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132 | 173.4 | -173.9 | 62.4 | 0 | 0 | 0 | 109.1 | V36 S37 D38 V55 I86 L87 L89 | V36-L49 CarbonylContact C-O 3.49Å; V36-L49 WeakPolarHBondContact CA-O 3.37Å; V36-L49 WeakPolarHBondContact CG1-O 2.91Å; S37-L49 PolarHBondContact N-O 3.38Å; S37-L49 WeakPolarHBondContact OG-CD2 3.27Å; S37-L49 WeakPolarHBondContact OG-CG 3.36Å; S37-L49 PolarHBondContact OG-O 3.24Å; D38-L49 HydrophobicContact CB-CB 3.92Å; D38-L49 HydrophobicContact CB-CD2 3.99Å; D38-L49 PolarHBondContact N-O 2.95Å; D38-L49 PolarHBondContact O-N 3.02Å; L49-V55 HydrophobicContact CD1-CG2 3.92Å; L49-I86 HydrophobicContact CD1-CB 3.69Å; L49-I86 HydrophobicContact CD1-CG2 3.67Å; L49-I86 HydrophobicContact CD2-CG2 4.42Å; L49-L87 VanDerWaalsContact CD2-C 3.46Å; L49-L87 WeakPolarHBondContact CD2-O 3.33Å; L49-L89 HydrophobicContact CB-CD1 3.71Å; L49-L89 HydrophobicContact CB-CG 4.2Å |
| 50 | L | 93.1 | Very high | 94.3 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 5% | 0.052 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 163.3 | 171.4 | -57.2 | -169 | 0 | 0 | 0 | 111 | F31 K34 R35 V36 S37 D52 G53 T54 Y56 | F31-L50 HydrophobicContact CD1-CD2 4.22Å; F31-L50 HydrophobicContact CE1-CD2 4.15Å; K34-L50 HydrophobicContact CB-CD1 4.41Å; K34-L50 HydrophobicContact CB-CD2 4.35Å; K34-L50 HydrophobicContact CD-CD1 4.06Å; R35-L50 VanDerWaalsContact O-CA 3.28Å; R35-L50 WeakPolarHBondContact O-CA 3.41Å; V36-L50 HydrophobicContact CG2-CD2 3.87Å; S37-L50 PolarHBondContact OG-O 2.89Å; L50-D52 VanDerWaalsContact CB-OD1 3.3Å; L50-D52 WeakPolarHBondContact CB-OD1 3.12Å; L50-D52 PolarHBondContact O-N 3.25Å; L50-G53 PolarHBondContact O-N 3.41Å; L50-T54 WeakPolarHBondContact CD1-OG1 3.29Å; L50-T54 PolarHBondContact N-O 3.32Å; L50-Y56 HydrophobicContact CD1-CD2 4.07Å; L50-Y56 HydrophobicContact CD1-CE2 3.6Å; L50-Y56 HydrophobicContact CG-CD2 4.16Å; L50-Y56 HydrophobicContact CG-CE2 4.16Å |
| 51 | D | 88.2 | Confident | 94.2 | Very high | 80 Ų | 80 | 22.6 Ų | 22.6 | 43% | 0.428 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23 | 178.7 | -72.2 | -5.4 | 0 | 0 | 0 | 113.7 | R35 S37 G53 | R35-D51 HydrophobicContact CB-CB 4.27Å; R35-D51 WeakPolarHBondContact CB-OD2 3.34Å; R35-D51 WeakPolarHBondContact CD-OD2 3.45Å; R35-D51 IonicContact CZ-OD2 3.48Å; R35-D51 IonicContact NE-OD2 3.51Å; R35-D51 PolarHBondContact NE-OD2 3.02Å; R35-D51 IonicContact NH2-OD2 3.14Å; R35-D51 PolarHBondContact O-N 3.39Å; S37-D51 VanDerWaalsContact CB-OD1 3.28Å; S37-D51 WeakPolarHBondContact CB-OD1 3.28Å; D51-G53 PolarHBondContact O-N 3.42Å |
| 52 | D | 90.1 | Very high | 94.1 | Very high | 104 Ų | 104 | 26.7 Ų | 26.7 | 56% | 0.556 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.1 | 176.6 | 64.2 | 6 | 0 | 0 | 0 | 113.4 | L50 T54 | L50-D52 VanDerWaalsContact CB-OD1 3.3Å; L50-D52 WeakPolarHBondContact CB-OD1 3.12Å; L50-D52 PolarHBondContact O-N 3.25Å; D52-T54 VanDerWaalsContact OD1-CB 3.3Å; D52-T54 WeakPolarHBondContact OD1-CB 3.28Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.26Å; D52-T54 PolarHBondContact OD1-N 3.37Å; D52-T54 PolarHBondContact OD1-OG1 3.04Å |
| 53 | G | 91.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 85.7 | 3.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L50 D51 I86 | L50-G53 PolarHBondContact O-N 3.41Å; D51-G53 PolarHBondContact O-N 3.42Å; G53-I86 WeakPolarHBondContact CA-O 3.23Å; G53-I86 WeakPolarHBondContact O-CB 3.29Å; G53-I86 PolarHBondContact O-N 2.82Å |
| 54 | T | 95.8 | Very high | 94.1 | Very high | 30 Ų | 30 | 25.5 Ų | 25.5 | 18% | 0.184 | 13% | 0.129 | C | C | . | . | trans | -78.5 | 143.4 | 177.7 | 61.8 | 0 | 0 | 0 | 0 | 112.4 | L50 D52 | L50-T54 WeakPolarHBondContact CD1-OG1 3.29Å; L50-T54 PolarHBondContact N-O 3.32Å; D52-T54 VanDerWaalsContact OD1-CB 3.3Å; D52-T54 WeakPolarHBondContact OD1-CB 3.28Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.26Å; D52-T54 PolarHBondContact OD1-N 3.37Å; D52-T54 PolarHBondContact OD1-OG1 3.04Å | ||
| 55 | V | 96.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.6 | -175.7 | -179 | 0 | 0 | 0 | 0 | 111 | F48 L49 T57 Q77 V78 L81 I86 L89 | F48-V55 WeakPolarHBondContact O-CA 3.49Å; L49-V55 HydrophobicContact CD1-CG2 3.92Å; V55-T57 HydrophobicContact CG1-CG2 4.34Å; V55-Q77 WeakPolarHBondContact O-CA 3.46Å; V55-V78 HydrophobicContact CB-CB 4.42Å; V55-V78 HydrophobicContact CB-CG2 4.45Å; V55-V78 HydrophobicContact CG1-CB 4.41Å; V55-V78 HydrophobicContact CG1-CG2 3.95Å; V55-V78 PolarHBondContact O-N 3.39Å; V55-L81 HydrophobicContact CB-CD1 4.36Å; V55-L81 HydrophobicContact CG2-CD1 4.16Å; V55-I86 HydrophobicContact CG2-CB 3.83Å; V55-I86 HydrophobicContact CG2-CG1 3.67Å; V55-I86 HydrophobicContact CG2-CG2 3.89Å; V55-L89 HydrophobicContact CG1-CD1 3.99Å; V55-L89 HydrophobicContact CG1-CD2 4.1Å; V55-L89 HydrophobicContact CG2-CD1 4.4Å; V55-L89 HydrophobicContact CG2-CD2 4.01Å |
| 56 | Y | 95.4 | Very high | 94.1 | Very high | 33 Ų | 33 | 20.9 Ų | 20.9 | 13% | 0.129 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.1 | 173.6 | -70.5 | -98.4 | 0 | 0 | 0 | 110.9 | F30 A47 F48 L50 P75 E76 Q77 | F30-Y56 AromaticContact CE1-CD1 3.95Å; F30-Y56 HydrophobicContact CE1-CD1 3.95Å; F30-Y56 HydrophobicContact CE1-CE1 4.25Å; F30-Y56 HydrophobicContact CE1-CG 4.24Å; F30-Y56 HydrophobicContact CE2-CE1 4.49Å; F30-Y56 AromaticContact CZ-CD1 3.51Å; F30-Y56 HydrophobicContact CZ-CD1 3.51Å; F30-Y56 AromaticContact CZ-CE1 3.51Å; F30-Y56 HydrophobicContact CZ-CE1 3.51Å; F30-Y56 HydrophobicContact CZ-CG 4.24Å; A47-Y56 CarbonylContact C-O 3.5Å; A47-Y56 WeakPolarHBondContact CA-O 3.46Å; F48-Y56 PolarHBondContact N-O 3.44Å; F48-Y56 PolarHBondContact O-N 2.83Å; L50-Y56 HydrophobicContact CD1-CD2 4.07Å; L50-Y56 HydrophobicContact CD1-CE2 3.6Å; L50-Y56 HydrophobicContact CG-CD2 4.16Å; L50-Y56 HydrophobicContact CG-CE2 4.16Å; Y56-P75 HydrophobicContact CD1-CB 4.49Å; Y56-E76 CarbonylContact C-O 3.48Å; Y56-E76 VanDerWaalsContact CA-O 3.22Å; Y56-E76 WeakPolarHBondContact CA-O 3.41Å; Y56-Q77 HydrophobicContact CD1-CB 3.97Å; Y56-Q77 HydrophobicContact CE1-CB 3.61Å; Y56-Q77 HydrophobicContact CE1-CG 4.3Å |
| 57 | T | 96 | Very high | 94 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151 | -180 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | T46 A47 V55 L66 H68 P75 E76 V78 | T46-T57 WeakPolarHBondContact O-CA 3.46Å; A47-T57 HydrophobicContact CB-CG2 3.81Å; V55-T57 HydrophobicContact CG1-CG2 4.34Å; T57-L66 WeakPolarHBondContact CB-O 3.1Å; T57-L66 WeakPolarHBondContact CG2-O 3.48Å; T57-L66 PolarHBondContact OG1-O 2.87Å; T57-H68 PolarHBondContact OG1-CD2 2.95Å; T57-H68 PolarHBondContact OG1-NE2 2.67Å; T57-P75 WeakPolarHBondContact O-CA 3.3Å; T57-E76 PolarHBondContact N-O 3.14Å; T57-E76 PolarHBondContact O-N 3.41Å; T57-V78 HydrophobicContact CG2-CG2 3.66Å |
| 58 | C | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 162.5 | 171.6 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | G10 G13 H45 T46 L66 | G10-C58 PolarHBondContact O-SG 3.22Å; G13-C58 VanDerWaalsContact CA-SG 3.56Å; H45-C58 WeakPolarHBondContact CA-O 3.49Å; T46-C58 PolarHBondContact N-O 3.4Å; T46-C58 PolarHBondContact O-N 2.93Å; C58-L66 WeakPolarHBondContact O-CD2 3.38Å |
| 59 | G | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.7 | -148.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y9 R72 | Y9-G59 CarbonylContact O-C 3.56Å; Y9-G59 VanDerWaalsContact O-C 3.22Å; Y9-G59 WeakPolarHBondContact O-CA 3.23Å; G59-R72 PolarHBondContact N-O 3.39Å |
| 60 | C | 93.4 | Very high | 92.2 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | trans | -68.1 | 141.1 | 174.2 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | Y9 R44 D62 Q65 L66 | Y9-C60 HydrophobicContact CD1-CB 4.06Å; Y9-C60 HydrophobicContact CG-CB 4.11Å; R44-C60 HydrophobicContact CB-CB 3.65Å; R44-C60 WeakPolarHBondContact O-CB 3.35Å; R44-C60 PolarHBondContact O-N 3.01Å; C60-D62 PolarHBondContact SG-OD2 3.39Å; C60-Q65 WeakPolarHBondContact O-CG 3.49Å; C60-Q65 PolarHBondContact O-NE2 3.41Å; C60-L66 WeakPolarHBondContact O-CD2 3.33Å; C60-L66 WeakPolarHBondContact O-CG 3.35Å | ||
| 61 | N | 94 | Very high | 91.1 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | trans | -134.1 | 21.2 | 178.8 | -160.7 | 35.6 | 0 | 0 | 0 | 113.3 | L63 G64 Q65 L66 H68 | N61-L63 PolarHBondContact O-N 2.9Å; N61-L63 VanDerWaalsContact O-N 3.15Å; N61-G64 PolarHBondContact O-N 3.47Å; N61-G64 VanDerWaalsContact O-N 3.11Å; N61-G64 VanDerWaalsContact OD1-CA 3.25Å; N61-G64 WeakPolarHBondContact OD1-CA 3.45Å; N61-Q65 VanDerWaalsContact C-OE1 3.22Å; N61-Q65 VanDerWaalsContact CA-OE1 3.28Å; N61-Q65 PolarHBondContact OD1-N 2.91Å; N61-L66 HydrophobicContact CB-CB 4.34Å; N61-L66 HydrophobicContact CB-CD1 3.66Å; N61-L66 HydrophobicContact CB-CG 3.69Å; N61-L66 WeakPolarHBondContact OD1-CB 3Å; N61-L66 WeakPolarHBondContact OD1-CG 3.42Å; N61-L66 PolarHBondContact OD1-N 3Å; N61-H68 PolarHBondContact ND2-O 2.72Å | ||
| 62 | D | 92.3 | Very high | 90.6 | Very high | 108 Ų | 108 | 36.9 Ų | 36.9 | 58% | 0.578 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28.9 | -173.1 | -59 | -18 | 0 | 0 | 0 | 111.6 | C60 | C60-D62 PolarHBondContact SG-OD2 3.39Š|
| 63 | L | 94.1 | Very high | 90.3 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 15.1 | -178.1 | -58.5 | 168.4 | 0 | 0 | 0 | 112 | N61 Q65 G109 L110 C124 | N61-L63 PolarHBondContact O-N 2.9Å; N61-L63 VanDerWaalsContact O-N 3.15Å; L63-Q65 VanDerWaalsContact C-N 3.33Å; L63-Q65 PolarHBondContact O-N 3.48Å; L63-G109 CarbonylContact O-C 3.36Å; L63-G109 VanDerWaalsContact O-CA 3.26Å; L63-G109 WeakPolarHBondContact O-CA 3.37Å; L63-L110 HydrophobicContact CB-CB 4.39Å; L63-L110 HydrophobicContact CD1-CB 4.19Å; L63-L110 HydrophobicContact CD1-CD1 4.07Å; L63-L110 HydrophobicContact CD1-CD2 4.37Å; L63-L110 HydrophobicContact CD1-CG 4.44Å; L63-L110 HydrophobicContact CD2-CD1 4.21Å; L63-C124 WeakPolarHBondContact O-CB 2.9Å |
| 64 | G | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 77.4 | 10.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | N61 L66 G67 | N61-G64 PolarHBondContact O-N 3.47Å; N61-G64 VanDerWaalsContact O-N 3.11Å; N61-G64 VanDerWaalsContact OD1-CA 3.25Å; N61-G64 WeakPolarHBondContact OD1-CA 3.45Å; G64-L66 PolarHBondContact O-N 3Å; G64-L66 VanDerWaalsContact O-N 3.08Å; G64-G67 PolarHBondContact O-N 2.92Å; G64-G67 VanDerWaalsContact O-N 3.11Å |
| 65 | Q | 94.7 | Very high | 90 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.3 | -173.2 | 63.4 | -95.6 | 58.4 | 0 | 0 | 115.3 | H45 C60 N61 L63 S94 T96 W108 | H45-Q65 HydrophobicContact CB-CG 4.03Å; C60-Q65 WeakPolarHBondContact O-CG 3.49Å; C60-Q65 PolarHBondContact O-NE2 3.41Å; N61-Q65 VanDerWaalsContact C-OE1 3.22Å; N61-Q65 VanDerWaalsContact CA-OE1 3.28Å; N61-Q65 PolarHBondContact OD1-N 2.91Å; L63-Q65 VanDerWaalsContact C-N 3.33Å; L63-Q65 PolarHBondContact O-N 3.48Å; Q65-S94 WeakPolarHBondContact CB-O 3.33Å; Q65-T96 PolarHBondContact O-OG1 3.29Å; Q65-W108 PolarHBondContact O-NE1 2.96Å |
| 66 | L | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -18.5 | 175.3 | -56 | -170.5 | 0 | 0 | 0 | 113.3 | H45 T57 C58 C60 N61 G64 H68 V78 | H45-L66 HydrophobicContact CB-CD2 3.66Å; T57-L66 WeakPolarHBondContact CB-O 3.1Å; T57-L66 WeakPolarHBondContact CG2-O 3.48Å; T57-L66 PolarHBondContact OG1-O 2.87Å; C58-L66 WeakPolarHBondContact O-CD2 3.38Å; C60-L66 WeakPolarHBondContact O-CD2 3.33Å; C60-L66 WeakPolarHBondContact O-CG 3.35Å; N61-L66 HydrophobicContact CB-CB 4.34Å; N61-L66 HydrophobicContact CB-CD1 3.66Å; N61-L66 HydrophobicContact CB-CG 3.69Å; N61-L66 WeakPolarHBondContact OD1-CB 3Å; N61-L66 WeakPolarHBondContact OD1-CG 3.42Å; N61-L66 PolarHBondContact OD1-N 3Å; G64-L66 PolarHBondContact O-N 3Å; G64-L66 VanDerWaalsContact O-N 3.08Å; L66-H68 VanDerWaalsContact C-N 3.33Å; L66-H68 PolarHBondContact O-CD2 2.97Å; L66-V78 WeakPolarHBondContact O-CG2 3.35Å |
| 67 | G | 93.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 81.5 | 10.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G64 W108 R126 | G64-G67 PolarHBondContact O-N 2.92Å; G64-G67 VanDerWaalsContact O-N 3.11Å; G67-W108 VanDerWaalsContact CA-CD1 3.48Å; G67-R126 CarbonylContact C-O 3.6Å; G67-R126 WeakPolarHBondContact CA-O 3.33Å |
| 68 | H | 90.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 9% | 0.088 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -146.6 | 169.5 | 175.6 | 55.4 | 70.6 | 0 | 0 | 0 | 110.4 | T57 N61 L66 K70 | T57-H68 PolarHBondContact OG1-CD2 2.95Å; T57-H68 PolarHBondContact OG1-NE2 2.67Å; N61-H68 PolarHBondContact ND2-O 2.72Å; L66-H68 VanDerWaalsContact C-N 3.33Å; L66-H68 PolarHBondContact O-CD2 2.97Å; H68-K70 PolarHBondContact CE1-O 2.84Å; H68-K70 PolarHBondContact ND1-O 3.45Å; H68-K70 PolarHBondContact O-N 3.16Å |
| 69 | D | 82.9 | Confident | 89.7 | Confident | 123 Ų | 123 | 51.2 Ų | 51.2 | 66% | 0.658 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -75.8 | -18.6 | -165.9 | -68.5 | -40.7 | 0 | 0 | 0 | 115.7 | ||
| 70 | K | 77.3 | Confident | 89.7 | Confident | 112 Ų | 112 | 53.9 Ų | 53.9 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -112.1 | 136.1 | -167.4 | -52.1 | -174.9 | -171.5 | 166.7 | 0 | 112.4 | H68 R72 | H68-K70 PolarHBondContact CE1-O 2.84Å; H68-K70 PolarHBondContact ND1-O 3.45Å; H68-K70 PolarHBondContact O-N 3.16Å; K70-R72 HydrophobicContact CB-CG 4.43Å; K70-R72 VanDerWaalsContact CB-CZ 3.42Å; K70-R72 VanDerWaalsContact CD-CZ 3.43Å |
| 71 | S | 69.3 | Low | 89.8 | Confident | 74 Ų | 74 | 54 Ų | 54 | 52% | 0.517 | 28% | 0.279 | S | S | . | . | trans | -72.6 | 139 | 164.9 | 56.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 72 | R | 77.9 | Confident | 89.7 | Confident | 95 Ų | 95 | 58.7 Ų | 58.7 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 132.9 | -171 | -65.1 | -68.2 | 176.8 | -127 | 31.5 | 112.6 | G59 K70 K74 E76 | G59-R72 PolarHBondContact N-O 3.39Å; K70-R72 HydrophobicContact CB-CG 4.43Å; K70-R72 VanDerWaalsContact CB-CZ 3.42Å; K70-R72 VanDerWaalsContact CD-CZ 3.43Å; R72-K74 VanDerWaalsContact C-N 3.31Å; R72-K74 VanDerWaalsContact CB-O 3.25Å; R72-K74 WeakPolarHBondContact CB-O 3.49Å; R72-E76 WeakPolarHBondContact CD-OE2 3.29Å; R72-E76 HydrophobicContact CG-CB 4.35Å; R72-E76 WeakPolarHBondContact CG-OE2 3.17Å; R72-E76 IonicContact NE-OE2 3.67Å; R72-E76 PolarHBondContact NE-OE2 2.79Å |
| 73 | K | 83.5 | Confident | 89.8 | Confident | 110 Ų | 110 | 57.9 Ų | 57.9 | 48% | 0.478 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -8.4 | 169.1 | -61.4 | -170.9 | 174.7 | -171.1 | 0 | 113.7 | G13 G15 | G13-K73 CarbonylContact C-O 3.53Å; G15-K73 VanDerWaalsContact CA-O 3.26Å; G15-K73 WeakPolarHBondContact CA-O 3.39Å; G15-K73 PolarHBondContact N-O 3.42Å |
| 74 | K | 88.7 | Confident | 89.8 | Confident | 130 Ų | 130 | 58 Ų | 58 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.1 | 174 | -72.5 | -175 | 178.5 | -173.8 | 0 | 109.3 | G15 R72 E76 | G15-K74 VanDerWaalsContact CA-CG 3.5Å; R72-K74 VanDerWaalsContact C-N 3.31Å; R72-K74 VanDerWaalsContact CB-O 3.25Å; R72-K74 WeakPolarHBondContact CB-O 3.49Å; K74-E76 PolarHBondContact O-N 2.89Å |
| 75 | P | 92.6 | Very high | 89.9 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 6% | 0.058 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 131.2 | 173.8 | -23 | 34.2 | 0 | 0 | 0 | 111.6 | G13 F30 F31 F48 Y56 T57 | G13-P75 VanDerWaalsContact O-CD 3.29Å; G13-P75 WeakPolarHBondContact O-CD 3.44Å; F30-P75 HydrophobicContact CB-CG 4.47Å; F30-P75 HydrophobicContact CD1-CB 3.79Å; F30-P75 HydrophobicContact CD1-CG 3.72Å; F30-P75 HydrophobicContact CE1-CB 3.64Å; F30-P75 HydrophobicContact CE1-CG 4.13Å; F30-P75 HydrophobicContact CG-CB 4.29Å; F30-P75 HydrophobicContact CG-CG 4.05Å; F30-P75 HydrophobicContact CZ-CB 4.01Å; F31-P75 HydrophobicContact CE2-CG 3.99Å; F31-P75 HydrophobicContact CZ-CB 4.23Å; F31-P75 HydrophobicContact CZ-CG 3.91Å; F48-P75 HydrophobicContact CE2-CG 4.25Å; Y56-P75 HydrophobicContact CD1-CB 4.49Å; T57-P75 WeakPolarHBondContact O-CA 3.3Å |
| 76 | E | 92.9 | Very high | 89.9 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 143.9 | 176.8 | -178.5 | 166.2 | 173.4 | 0 | 0 | 109.5 | Y56 T57 R72 K74 | Y56-E76 CarbonylContact C-O 3.48Å; Y56-E76 VanDerWaalsContact CA-O 3.22Å; Y56-E76 WeakPolarHBondContact CA-O 3.41Å; T57-E76 PolarHBondContact N-O 3.14Å; T57-E76 PolarHBondContact O-N 3.41Å; R72-E76 WeakPolarHBondContact CD-OE2 3.29Å; R72-E76 HydrophobicContact CG-CB 4.35Å; R72-E76 WeakPolarHBondContact CG-OE2 3.17Å; R72-E76 IonicContact NE-OE2 3.67Å; R72-E76 PolarHBondContact NE-OE2 2.79Å; K74-E76 PolarHBondContact O-N 2.89Å |
| 77 | Q | 93.9 | Very high | 89.8 | Confident | 56 Ų | 56 | 64 Ų | 64 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 138.6 | -175.5 | -171.4 | 179.1 | -12.1 | 0 | 0 | 110.8 | V55 Y56 V79 D82 | V55-Q77 WeakPolarHBondContact O-CA 3.46Å; Y56-Q77 HydrophobicContact CD1-CB 3.97Å; Y56-Q77 HydrophobicContact CE1-CB 3.61Å; Y56-Q77 HydrophobicContact CE1-CG 4.3Å; Q77-V79 PolarHBondContact O-N 2.77Å; Q77-V79 VanDerWaalsContact O-N 3.1Å; Q77-D82 PolarHBondContact NE2-OD1 2.96Å |
| 78 | V | 95.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | trans | -83.5 | 81.3 | 171.3 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | V55 T57 L66 A80 L81 P128 | V55-V78 HydrophobicContact CB-CB 4.42Å; V55-V78 HydrophobicContact CB-CG2 4.45Å; V55-V78 HydrophobicContact CG1-CB 4.41Å; V55-V78 HydrophobicContact CG1-CG2 3.95Å; V55-V78 PolarHBondContact O-N 3.39Å; T57-V78 HydrophobicContact CG2-CG2 3.66Å; L66-V78 WeakPolarHBondContact O-CG2 3.35Å; V78-A80 PolarHBondContact O-N 3.17Å; V78-L81 HydrophobicContact CB-CD1 4.46Å; V78-L81 HydrophobicContact CG1-CD1 4.08Å; V78-L81 HydrophobicContact CG1-CG 4.14Å; V78-L81 PolarHBondContact O-N 2.79Å; V78-P128 HydrophobicContact CG1-CG 3.57Å | ||
| 79 | V | 94.3 | Very high | 90.1 | Very high | 104 Ų | 104 | 63.7 Ų | 63.7 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -56.7 | -26.9 | -174 | -177.6 | 0 | 0 | 0 | 0 | 113.1 | Q77 L81 D82 | Q77-V79 PolarHBondContact O-N 2.77Å; Q77-V79 VanDerWaalsContact O-N 3.1Å; V79-L81 PolarHBondContact O-N 2.57Å; V79-L81 VanDerWaalsContact O-N 3.12Å; V79-D82 VanDerWaalsContact O-CB 3.26Å; V79-D82 WeakPolarHBondContact O-CB 3.35Å; V79-D82 PolarHBondContact O-N 3.08Å; V79-D82 VanDerWaalsContact O-N 3.12Å |
| 80 | A | 94.4 | Very high | 90.7 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -62.1 | -18.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V78 V127 P128 | V78-A80 PolarHBondContact O-N 3.17Å; A80-V127 HydrophobicContact CB-CG1 3.73Å; A80-P128 HydrophobicContact CB-CG 4.13Å |
| 81 | L | 95.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -101.3 | 3.4 | 178 | -64.3 | 175.5 | 0 | 0 | 0 | 113.4 | V55 V78 V79 A83 Q84 I86 A98 F106 W108 P128 | V55-L81 HydrophobicContact CB-CD1 4.36Å; V55-L81 HydrophobicContact CG2-CD1 4.16Å; V78-L81 HydrophobicContact CB-CD1 4.46Å; V78-L81 HydrophobicContact CG1-CD1 4.08Å; V78-L81 HydrophobicContact CG1-CG 4.14Å; V78-L81 PolarHBondContact O-N 2.79Å; V79-L81 PolarHBondContact O-N 2.57Å; V79-L81 VanDerWaalsContact O-N 3.12Å; L81-A83 PolarHBondContact O-N 3.25Å; L81-A83 VanDerWaalsContact O-N 3.13Å; L81-Q84 WeakPolarHBondContact O-CA 3.48Å; L81-Q84 WeakPolarHBondContact O-CB 3.42Å; L81-Q84 PolarHBondContact O-N 3.42Å; L81-I86 HydrophobicContact CD1-CD1 4.45Å; L81-I86 HydrophobicContact CD1-CG1 4.37Å; L81-I86 HydrophobicContact CD2-CD1 4.45Å; L81-A98 HydrophobicContact CD1-CB 4.13Å; L81-F106 HydrophobicContact CD2-CB 4.19Å; L81-F106 HydrophobicContact CD2-CD1 3.99Å; L81-F106 HydrophobicContact CD2-CD2 4.33Å; L81-F106 HydrophobicContact CD2-CE1 4.48Å; L81-F106 HydrophobicContact CD2-CG 3.91Å; L81-W108 HydrophobicContact CD1-CH2 3.81Å; L81-W108 HydrophobicContact CD1-CZ3 4.05Å; L81-P128 HydrophobicContact CD1-CB 4.43Å; L81-P128 HydrophobicContact CD1-CG 4.18Å; L81-P128 HydrophobicContact CD2-CB 3.73Å; L81-P128 HydrophobicContact CD2-CG 4.22Å; L81-P128 HydrophobicContact CG-CB 4.04Å; L81-P128 HydrophobicContact CG-CG 3.95Å |
| 82 | D | 91.9 | Very high | 93 | Very high | 107 Ų | 107 | 50.6 Ų | 50.6 | 57% | 0.572 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.2 | -172.9 | -159.4 | 52.6 | 0 | 0 | 0 | 113.6 | Q77 V79 Q84 | Q77-D82 PolarHBondContact NE2-OD1 2.96Å; V79-D82 VanDerWaalsContact O-CB 3.26Å; V79-D82 WeakPolarHBondContact O-CB 3.35Å; V79-D82 PolarHBondContact O-N 3.08Å; V79-D82 VanDerWaalsContact O-N 3.12Å; D82-Q84 VanDerWaalsContact C-N 3.26Å; D82-Q84 PolarHBondContact O-N 2.92Å |
| 83 | A | 93 | Very high | 93.8 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 75% | 0.752 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 2.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | L81 | L81-A83 PolarHBondContact O-N 3.25Å; L81-A83 VanDerWaalsContact O-N 3.13Å |
| 84 | Q | 94.8 | Very high | 94.4 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 23% | 0.229 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -121.3 | 147.7 | -176.5 | -52.2 | -58.5 | -48 | 0 | 0 | 110.2 | L81 D82 I86 N100 F106 | L81-Q84 WeakPolarHBondContact O-CA 3.48Å; L81-Q84 WeakPolarHBondContact O-CB 3.42Å; L81-Q84 PolarHBondContact O-N 3.42Å; D82-Q84 VanDerWaalsContact C-N 3.26Å; D82-Q84 PolarHBondContact O-N 2.92Å; Q84-I86 HydrophobicContact CB-CD1 3.93Å; Q84-N100 HydrophobicContact CB-CB 4.43Å; Q84-N100 PolarHBondContact OE1-ND2 3.42Å; Q84-F106 HydrophobicContact CG-CE2 4.22Å; Q84-F106 HydrophobicContact CG-CZ 3.89Å |
| 85 | I | 94.6 | Very high | 94.8 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | trans | -98.6 | 107.1 | 170.4 | -60.9 | 172.6 | 0 | 0 | 0 | 107.1 | N100 D101 | I85-N100 CarbonylContact O-C 3.39Å; I85-N100 WeakPolarHBondContact O-CA 3.31Å; I85-N100 VanDerWaalsContact O-CB 3.32Å; I85-N100 WeakPolarHBondContact O-CB 3.43Å; I85-D101 HydrophobicContact CB-CB 4.17Å; I85-D101 HydrophobicContact CG2-CB 4.29Å; I85-D101 PolarHBondContact O-N 3.42Å | ||
| 86 | I | 95.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 134.3 | -178.4 | -55.4 | -54.4 | 0 | 0 | 0 | 110.4 | L49 G53 V55 L81 Q84 L89 A98 L99 N100 | L49-I86 HydrophobicContact CD1-CB 3.69Å; L49-I86 HydrophobicContact CD1-CG2 3.67Å; L49-I86 HydrophobicContact CD2-CG2 4.42Å; G53-I86 WeakPolarHBondContact CA-O 3.23Å; G53-I86 WeakPolarHBondContact O-CB 3.29Å; G53-I86 PolarHBondContact O-N 2.82Å; V55-I86 HydrophobicContact CG2-CB 3.83Å; V55-I86 HydrophobicContact CG2-CG1 3.67Å; V55-I86 HydrophobicContact CG2-CG2 3.89Å; L81-I86 HydrophobicContact CD1-CD1 4.45Å; L81-I86 HydrophobicContact CD1-CG1 4.37Å; L81-I86 HydrophobicContact CD2-CD1 4.45Å; Q84-I86 HydrophobicContact CB-CD1 3.93Å; I86-L89 HydrophobicContact CG2-CD2 3.92Å; I86-L89 HydrophobicContact CG2-CG 4.4Å; I86-A98 HydrophobicContact CD1-CB 4.2Å; I86-A98 HydrophobicContact CG2-CB 4.05Å; I86-L99 CarbonylContact C-O 3.54Å; I86-L99 WeakPolarHBondContact CA-O 3.43Å; I86-L99 WeakPolarHBondContact CG2-O 3.47Å; I86-N100 HydrophobicContact CD1-CB 3.94Å |
| 87 | L | 93.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -26.9 | -179.8 | -63.6 | -171.6 | 0 | 0 | 0 | 113.8 | L49 L99 D101 Q394 R395 | L49-L87 VanDerWaalsContact CD2-C 3.46Å; L49-L87 WeakPolarHBondContact CD2-O 3.33Å; L87-L99 PolarHBondContact N-O 3.11Å; L87-D101 HydrophobicContact CD1-CB 4.24Å; L87-D101 HydrophobicContact CD2-CB 4.38Å; L87-D101 HydrophobicContact CG-CB 4.21Å; L87-Q394 HydrophobicContact CD1-CB 4.45Å; L87-R395 PolarHBondContact O-NH1 3.29Å; L87-R395 VanDerWaalsContact O-NH1 3.09Å |
| 88 | A | 93.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 150.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L99 | A88-L99 HydrophobicContact CB-CB 4.21Å; A88-L99 HydrophobicContact CB-CD2 4.37Å; A88-L99 PolarHBondContact N-O 3.37Å; A88-L99 PolarHBondContact O-N 3.33Å |
| 89 | L | 95.8 | Very high | 95.5 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.6 | 176.3 | -63.9 | 174.7 | 0 | 0 | 0 | 110.1 | A47 L49 V55 I86 L97 A98 | A47-L89 HydrophobicContact CB-CD1 3.9Å; L49-L89 HydrophobicContact CB-CD1 3.71Å; L49-L89 HydrophobicContact CB-CG 4.2Å; V55-L89 HydrophobicContact CG1-CD1 3.99Å; V55-L89 HydrophobicContact CG1-CD2 4.1Å; V55-L89 HydrophobicContact CG2-CD1 4.4Å; V55-L89 HydrophobicContact CG2-CD2 4.01Å; I86-L89 HydrophobicContact CG2-CD2 3.92Å; I86-L89 HydrophobicContact CG2-CG 4.4Å; L89-L97 WeakPolarHBondContact CA-O 3.49Å; L89-A98 HydrophobicContact CD2-CB 3.62Å |
| 90 | S | 96.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 25.6 Ų | 25.6 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 135.7 | 168.6 | 178.5 | 0 | 0 | 0 | 0 | 109.6 | L97 A143 C144 | S90-L97 PolarHBondContact N-O 3.12Å; S90-L97 PolarHBondContact O-N 2.98Å; S90-A143 WeakPolarHBondContact OG-CA 3.45Å; S90-C144 PolarHBondContact O-SG 3.49Å; S90-C144 WeakPolarHBondContact OG-CB 3.43Å; S90-C144 PolarHBondContact OG-N 2.86Å; S90-C144 PolarHBondContact OG-SG 3.21Å |
| 91 | C | 97.3 | Very high | 95.4 | Very high | 12 Ų | 12 | 25.9 Ų | 25.9 | 8% | 0.081 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.9 | -178.1 | -67.3 | 0 | 0 | 0 | 0 | 109.6 | G40 G42 | G40-C91 PolarHBondContact O-SG 2.65Å; G42-C91 VanDerWaalsContact N-CB 3.32Å |
| 92 | G | 96.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | trans | -87.9 | -157 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G42 S94 H95 G145 | G42-G92 WeakPolarHBondContact CA-O 3.11Å; G92-S94 VanDerWaalsContact C-N 3.35Å; G92-S94 PolarHBondContact O-N 2.69Å; G92-H95 PolarHBondContact N-O 2.79Å; G92-G145 WeakPolarHBondContact CA-O 3.4Å | ||
| 93 | E | 95.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 13% | 0.126 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -64.5 | -42.1 | -179.8 | 176 | 163.5 | -159.1 | 0 | 0 | 111.9 | R43 F146 W147 | R43-E93 HydrophobicContact CB-CG 3.88Å; R43-E93 WeakPolarHBondContact CD-OE1 3.15Å; R43-E93 HydrophobicContact CG-CG 4.49Å; R43-E93 IonicContact CZ-OE1 3.25Å; R43-E93 PolarHBondContact N-O 3.15Å; R43-E93 IonicContact NE-OE1 3.71Å; R43-E93 IonicContact NH1-OE1 3.09Å; R43-E93 PolarHBondContact NH1-OE1 3.29Å; E93-F146 HydrophobicContact CB-CB 3.84Å; E93-F146 HydrophobicContact CB-CD1 4.2Å; E93-F146 HydrophobicContact CB-CG 4.05Å; E93-F146 WeakPolarHBondContact CB-O 3.31Å; E93-F146 PolarHBondContact N-O 3.11Å; E93-W147 WeakPolarHBondContact OE2-CZ2 3.06Å; E93-W147 PolarHBondContact OE2-NE1 3.19Å; E93-W147 VanDerWaalsContact OE2-NE1 3.1Å |
| 94 | S | 96 | Very high | 95.4 | Very high | 17 Ų | 17 | 25.5 Ų | 25.5 | 12% | 0.119 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -149.7 | 26.2 | -177.9 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | Q65 G92 G109 L110 | Q65-S94 WeakPolarHBondContact CB-O 3.33Å; G92-S94 VanDerWaalsContact C-N 3.35Å; G92-S94 PolarHBondContact O-N 2.69Å; S94-G109 WeakPolarHBondContact O-CA 3.39Å; S94-L110 PolarHBondContact O-N 3.33Å |
| 95 | H | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 161.6 | 172.4 | 70.7 | -73.2 | 0 | 0 | 0 | 110.5 | G92 W108 Q115 L116 G145 S149 | G92-H95 PolarHBondContact N-O 2.79Å; H95-W108 CarbonylContact C-O 3.59Å; H95-W108 VanDerWaalsContact CA-O 3.29Å; H95-W108 WeakPolarHBondContact CA-O 2.94Å; H95-W108 WeakPolarHBondContact CB-O 3.11Å; H95-Q115 HydrophobicContact CB-CG 4.31Å; H95-L116 HydrophobicContact CB-CD2 3.86Å; H95-G145 PolarHBondContact CE1-O 2.97Å; H95-S149 PolarHBondContact NE2-OG 2.84Å |
| 96 | T | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.1 | -177.4 | -53 | 0 | 0 | 0 | 0 | 109.3 | H45 A47 Q65 S107 W108 | H45-T96 PolarHBondContact NE2-OG1 2.81Å; A47-T96 HydrophobicContact CB-CG2 4.35Å; Q65-T96 PolarHBondContact O-OG1 3.29Å; T96-S107 WeakPolarHBondContact O-CA 3.22Å; T96-W108 HydrophobicContact CG2-CH2 3.65Å; T96-W108 HydrophobicContact CG2-CZ2 3.29Å; T96-W108 HydrophobicContact CG2-CZ3 4.4Å; T96-W108 PolarHBondContact N-O 3.42Å; T96-W108 PolarHBondContact O-N 3.26Å; T96-W108 VanDerWaalsContact O-N 3.14Å |
| 97 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.1 | 170.8 | -60.4 | -176.5 | 0 | 0 | 0 | 110 | L89 S90 V105 F106 V142 C144 W161 | L89-L97 WeakPolarHBondContact CA-O 3.49Å; S90-L97 PolarHBondContact N-O 3.12Å; S90-L97 PolarHBondContact O-N 2.98Å; L97-V105 HydrophobicContact CD2-CG1 4.39Å; L97-F106 CarbonylContact C-O 3.51Å; L97-F106 VanDerWaalsContact CA-O 3.28Å; L97-F106 WeakPolarHBondContact CA-O 3.35Å; L97-V142 HydrophobicContact CB-CB 4.45Å; L97-V142 HydrophobicContact CB-CG2 4.26Å; L97-V142 HydrophobicContact CD1-CB 4.19Å; L97-C144 WeakPolarHBondContact CD1-SG 3.23Å; L97-C144 VanDerWaalsContact CG-SG 3.54Å; L97-W161 HydrophobicContact CD1-CZ2 4.09Å |
| 98 | A | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L81 I86 L89 V105 F106 W108 | L81-A98 HydrophobicContact CD1-CB 4.13Å; I86-A98 HydrophobicContact CD1-CB 4.2Å; I86-A98 HydrophobicContact CG2-CB 4.05Å; L89-A98 HydrophobicContact CD2-CB 3.62Å; A98-V105 CarbonylContact O-C 3.5Å; A98-V105 WeakPolarHBondContact O-CA 3.35Å; A98-F106 HydrophobicContact CB-CB 4.46Å; A98-F106 PolarHBondContact N-O 3.11Å; A98-F106 PolarHBondContact O-N 3.43Å; A98-W108 HydrophobicContact CB-CH2 3.81Å; A98-W108 HydrophobicContact CB-CZ3 3.76Å |
| 99 | L | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.8 | 176.9 | 174.3 | 62.5 | 0 | 0 | 0 | 109.2 | I86 L87 A88 Q104 V105 V139 A140 V142 | I86-L99 CarbonylContact C-O 3.54Å; I86-L99 WeakPolarHBondContact CA-O 3.43Å; I86-L99 WeakPolarHBondContact CG2-O 3.47Å; L87-L99 PolarHBondContact N-O 3.11Å; A88-L99 HydrophobicContact CB-CB 4.21Å; A88-L99 HydrophobicContact CB-CD2 4.37Å; A88-L99 PolarHBondContact N-O 3.37Å; A88-L99 PolarHBondContact O-N 3.33Å; L99-Q104 WeakPolarHBondContact CA-O 3.49Å; L99-V105 HydrophobicContact CD1-CG2 4.12Å; L99-V139 HydrophobicContact CD1-CB 3.75Å; L99-V139 HydrophobicContact CD1-CG1 3.85Å; L99-V139 HydrophobicContact CD2-CG1 4.29Å; L99-A140 WeakPolarHBondContact CD2-O 3.19Å; L99-V142 HydrophobicContact CB-CG1 4.45Å; L99-V142 HydrophobicContact CB-CG2 4.37Å |
| 100 | N | 94.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 172.7 | 175.7 | 77.5 | -1.6 | 0 | 0 | 0 | 113.5 | Q84 I85 I86 K102 G103 Q104 F106 | Q84-N100 HydrophobicContact CB-CB 4.43Å; Q84-N100 PolarHBondContact OE1-ND2 3.42Å; I85-N100 CarbonylContact O-C 3.39Å; I85-N100 WeakPolarHBondContact O-CA 3.31Å; I85-N100 VanDerWaalsContact O-CB 3.32Å; I85-N100 WeakPolarHBondContact O-CB 3.43Å; I86-N100 HydrophobicContact CD1-CB 3.94Å; N100-K102 PolarHBondContact O-N 2.85Å; N100-K102 PolarHBondContact OD1-N 3.38Å; N100-K102 VanDerWaalsContact OD1-N 3.15Å; N100-G103 PolarHBondContact O-N 2.94Å; N100-G103 PolarHBondContact OD1-N 2.99Å; N100-Q104 PolarHBondContact N-O 3.07Å; N100-Q104 PolarHBondContact ND2-OE1 3.32Å; N100-Q104 WeakPolarHBondContact OD1-CA 3.35Å; N100-Q104 WeakPolarHBondContact OD1-CB 3.28Å; N100-Q104 PolarHBondContact OD1-N 3.23Å; N100-Q104 PolarHBondContact OD1-O 2.82Å; N100-F106 HydrophobicContact CB-CE2 4.28Å |
| 101 | D | 91.6 | Very high | 96 | Very high | 62 Ų | 62 | 17.5 Ų | 17.5 | 33% | 0.332 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22 | 176.7 | 67.3 | -33.8 | 0 | 0 | 0 | 114.9 | I85 L87 G103 | I85-D101 HydrophobicContact CB-CB 4.17Å; I85-D101 HydrophobicContact CG2-CB 4.29Å; I85-D101 PolarHBondContact O-N 3.42Å; L87-D101 HydrophobicContact CD1-CB 4.24Å; L87-D101 HydrophobicContact CD2-CB 4.38Å; L87-D101 HydrophobicContact CG-CB 4.21Å; D101-G103 VanDerWaalsContact C-N 3.32Å |
| 102 | K | 91.2 | Very high | 95.9 | Very high | 140 Ų | 140 | 19.5 Ų | 19.5 | 61% | 0.609 | 10% | 0.103 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 2.1 | 175.7 | -63.2 | 173.4 | -173.5 | 171.8 | 0 | 113.3 | N100 Q104 | N100-K102 PolarHBondContact O-N 2.85Å; N100-K102 PolarHBondContact OD1-N 3.38Å; N100-K102 VanDerWaalsContact OD1-N 3.15Å; K102-Q104 VanDerWaalsContact C-N 3.33Å; K102-Q104 HydrophobicContact CB-CG 4.23Å |
| 103 | G | 92.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 8% | 0.082 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 76.6 | 16.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N100 D101 V139 | N100-G103 PolarHBondContact O-N 2.94Å; N100-G103 PolarHBondContact OD1-N 2.99Å; D101-G103 VanDerWaalsContact C-N 3.32Å; G103-V139 WeakPolarHBondContact CA-O 3.35Å; G103-V139 VanDerWaalsContact O-CB 3.31Å; G103-V139 WeakPolarHBondContact O-CB 3.43Å; G103-V139 PolarHBondContact O-N 3.01Å |
| 104 | Q | 96.1 | Very high | 95.8 | Very high | 50 Ų | 50 | 19 Ų | 19 | 23% | 0.234 | 10% | 0.101 | C | C | . | . | trans | -90.5 | 144.7 | 177.6 | -54.8 | 176.1 | -45.2 | 0 | 0 | 110.9 | L99 N100 K102 F106 | L99-Q104 WeakPolarHBondContact CA-O 3.49Å; N100-Q104 PolarHBondContact N-O 3.07Å; N100-Q104 PolarHBondContact ND2-OE1 3.32Å; N100-Q104 WeakPolarHBondContact OD1-CA 3.35Å; N100-Q104 WeakPolarHBondContact OD1-CB 3.28Å; N100-Q104 PolarHBondContact OD1-N 3.23Å; N100-Q104 PolarHBondContact OD1-O 2.82Å; K102-Q104 VanDerWaalsContact C-N 3.33Å; K102-Q104 HydrophobicContact CB-CG 4.23Å; Q104-F106 HydrophobicContact CB-CE2 4.25Å | ||
| 105 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.4 | -176.3 | -175 | 0 | 0 | 0 | 0 | 110.5 | L97 A98 L99 N130 I131 L134 V139 V142 | L97-V105 HydrophobicContact CD2-CG1 4.39Å; A98-V105 CarbonylContact O-C 3.5Å; A98-V105 WeakPolarHBondContact O-CA 3.35Å; L99-V105 HydrophobicContact CD1-CG2 4.12Å; V105-N130 PolarHBondContact O-OD1 2.68Å; V105-I131 HydrophobicContact CB-CD1 4.17Å; V105-I131 HydrophobicContact CG1-CD1 3.73Å; V105-I131 HydrophobicContact CG1-CG1 4.47Å; V105-I131 PolarHBondContact O-N 2.84Å; V105-L134 HydrophobicContact CG2-CD1 4.37Å; V105-V139 HydrophobicContact CG2-CB 3.91Å; V105-V139 HydrophobicContact CG2-CG1 3.88Å; V105-V139 HydrophobicContact CG2-CG2 3.78Å; V105-V142 HydrophobicContact CG1-CG1 4.03Å; V105-V142 HydrophobicContact CG2-CG1 3.91Å |
| 106 | F | 97.6 | Very high | 95.8 | Very high | 21 Ų | 21 | 18.4 Ų | 18.4 | 9% | 0.092 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 140.2 | 173.8 | -61.6 | -99.1 | 0 | 0 | 0 | 110.1 | L81 Q84 L97 A98 N100 Q104 W108 P128 R129 N130 | L81-F106 HydrophobicContact CD2-CB 4.19Å; L81-F106 HydrophobicContact CD2-CD1 3.99Å; L81-F106 HydrophobicContact CD2-CD2 4.33Å; L81-F106 HydrophobicContact CD2-CE1 4.48Å; L81-F106 HydrophobicContact CD2-CG 3.91Å; Q84-F106 HydrophobicContact CG-CE2 4.22Å; Q84-F106 HydrophobicContact CG-CZ 3.89Å; L97-F106 CarbonylContact C-O 3.51Å; L97-F106 VanDerWaalsContact CA-O 3.28Å; L97-F106 WeakPolarHBondContact CA-O 3.35Å; A98-F106 HydrophobicContact CB-CB 4.46Å; A98-F106 PolarHBondContact N-O 3.11Å; A98-F106 PolarHBondContact O-N 3.43Å; N100-F106 HydrophobicContact CB-CE2 4.28Å; Q104-F106 HydrophobicContact CB-CE2 4.25Å; F106-W108 HydrophobicContact CB-CZ3 4.31Å; F106-P128 HydrophobicContact CB-CB 4.37Å; F106-R129 CarbonylContact C-O 3.47Å; F106-R129 VanDerWaalsContact CA-O 3.26Å; F106-R129 WeakPolarHBondContact CA-O 3.11Å; F106-N130 HydrophobicContact CD1-CB 4.01Å; F106-N130 HydrophobicContact CE1-CB 3.78Å; F106-N130 HydrophobicContact CZ-CB 4.34Å |
| 107 | S | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 145.9 | 179.7 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | T96 L116 R129 | T96-S107 WeakPolarHBondContact O-CA 3.22Å; S107-L116 WeakPolarHBondContact CB-O 3.27Å; S107-L116 PolarHBondContact OG-O 3.47Å; S107-R129 PolarHBondContact N-O 2.94Å; S107-R129 PolarHBondContact O-N 3.38Å |
| 108 | W | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 169.1 | 173.2 | 64.2 | 95.9 | 0 | 0 | 0 | 111.5 | Q65 G67 L81 H95 T96 A98 F106 L116 I125 P128 | Q65-W108 PolarHBondContact O-NE1 2.96Å; G67-W108 VanDerWaalsContact CA-CD1 3.48Å; L81-W108 HydrophobicContact CD1-CH2 3.81Å; L81-W108 HydrophobicContact CD1-CZ3 4.05Å; H95-W108 CarbonylContact C-O 3.59Å; H95-W108 VanDerWaalsContact CA-O 3.29Å; H95-W108 WeakPolarHBondContact CA-O 2.94Å; H95-W108 WeakPolarHBondContact CB-O 3.11Å; T96-W108 HydrophobicContact CG2-CH2 3.65Å; T96-W108 HydrophobicContact CG2-CZ2 3.29Å; T96-W108 HydrophobicContact CG2-CZ3 4.4Å; T96-W108 PolarHBondContact N-O 3.42Å; T96-W108 PolarHBondContact O-N 3.26Å; T96-W108 VanDerWaalsContact O-N 3.14Å; A98-W108 HydrophobicContact CB-CH2 3.81Å; A98-W108 HydrophobicContact CB-CZ3 3.76Å; F106-W108 HydrophobicContact CB-CZ3 4.31Å; W108-L116 WeakPolarHBondContact O-CD2 3.44Å; W108-I125 HydrophobicContact CB-CG2 4.16Å; W108-I125 WeakPolarHBondContact CB-O 3.05Å; W108-P128 HydrophobicContact CD2-CB 4.14Å; W108-P128 HydrophobicContact CD2-CG 3.73Å; W108-P128 HydrophobicContact CE3-CB 3.54Å; W108-P128 HydrophobicContact CE3-CG 3.59Å; W108-P128 HydrophobicContact CG-CG 4.26Å; W108-P128 HydrophobicContact CH2-CG 4.36Å; W108-P128 HydrophobicContact CZ2-CG 4.49Å; W108-P128 HydrophobicContact CZ3-CB 3.93Å; W108-P128 HydrophobicContact CZ3-CG 3.94Å |
| 109 | G | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.9 | -146.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L63 S94 C124 I125 | L63-G109 CarbonylContact O-C 3.36Å; L63-G109 VanDerWaalsContact O-CA 3.26Å; L63-G109 WeakPolarHBondContact O-CA 3.37Å; S94-G109 WeakPolarHBondContact O-CA 3.39Å; G109-C124 CarbonylContact O-C 3.39Å; G109-C124 WeakPolarHBondContact O-CA 3.38Å; G109-I125 PolarHBondContact N-O 2.85Å; G109-I125 PolarHBondContact O-N 3.16Å |
| 110 | L | 96.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 27.8 Ų | 27.8 | 11% | 0.11 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 134.3 | 177.8 | -177.5 | 68.7 | 0 | 0 | 0 | 111.9 | L63 S94 Q115 L116 E123 | L63-L110 HydrophobicContact CB-CB 4.39Å; L63-L110 HydrophobicContact CD1-CB 4.19Å; L63-L110 HydrophobicContact CD1-CD1 4.07Å; L63-L110 HydrophobicContact CD1-CD2 4.37Å; L63-L110 HydrophobicContact CD1-CG 4.44Å; L63-L110 HydrophobicContact CD2-CD1 4.21Å; S94-L110 PolarHBondContact O-N 3.33Å; L110-Q115 WeakPolarHBondContact O-CG 3.41Å; L110-Q115 PolarHBondContact O-NE2 3.01Å; L110-L116 WeakPolarHBondContact O-CD2 3.33Å; L110-L116 WeakPolarHBondContact O-CG 3.26Å; L110-E123 WeakPolarHBondContact CD1-O 3.5Å |
| 111 | G | 95.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | trans | -131.1 | 4.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | D113 G114 Q115 E122 E123 | G111-D113 PolarHBondContact O-N 3.14Å; G111-D113 VanDerWaalsContact O-N 3.09Å; G111-G114 PolarHBondContact O-N 2.86Å; G111-Q115 VanDerWaalsContact C-OE1 3.26Å; G111-E122 CarbonylContact C-O 3.56Å; G111-E122 VanDerWaalsContact CA-O 3.23Å; G111-E122 WeakPolarHBondContact CA-O 3.46Å; G111-E123 PolarHBondContact N-O 3.45Å | ||
| 112 | S | 94.2 | Very high | 94.3 | Very high | 54 Ų | 54 | 34 Ų | 34 | 38% | 0.378 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.4 | -176.4 | 56.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 113 | D | 95.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 34 Ų | 34 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 11 | 179.6 | -66.3 | -102.4 | 0 | 0 | 0 | 111.7 | G111 Q115 W147 G162 Q163 S177 | G111-D113 PolarHBondContact O-N 3.14Å; G111-D113 VanDerWaalsContact O-N 3.09Å; D113-Q115 VanDerWaalsContact C-N 3.3Å; D113-Q115 PolarHBondContact O-N 3.14Å; D113-W147 HydrophobicContact CB-CB 4.48Å; D113-G162 CarbonylContact O-C 3.58Å; D113-G162 WeakPolarHBondContact O-CA 3.14Å; D113-Q163 HydrophobicContact CB-CB 3.96Å; D113-Q163 PolarHBondContact O-N 3.1Å; D113-Q163 PolarHBondContact OD1-NE2 3.48Å; D113-S177 VanDerWaalsContact O-CB 3.31Å; D113-S177 WeakPolarHBondContact O-CB 3.34Å |
| 114 | G | 95.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 78.6 | 6.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G111 L116 G117 | G111-G114 PolarHBondContact O-N 2.86Å; G114-L116 PolarHBondContact O-N 3.07Å; G114-G117 PolarHBondContact O-N 3.21Å |
| 115 | Q | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -11.3 | -174.8 | 64.8 | -92.7 | 58.4 | 0 | 0 | 115.1 | H95 L110 G111 D113 W147 S149 W161 | H95-Q115 HydrophobicContact CB-CG 4.31Å; L110-Q115 WeakPolarHBondContact O-CG 3.41Å; L110-Q115 PolarHBondContact O-NE2 3.01Å; G111-Q115 VanDerWaalsContact C-OE1 3.26Å; D113-Q115 VanDerWaalsContact C-N 3.3Å; D113-Q115 PolarHBondContact O-N 3.14Å; Q115-W147 WeakPolarHBondContact CB-O 3.35Å; Q115-S149 PolarHBondContact O-OG 3.06Å; Q115-W161 PolarHBondContact O-NE1 3.36Å |
| 116 | L | 96.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -19.1 | 174.5 | -58.3 | -178.1 | 0 | 0 | 0 | 113.2 | H95 S107 W108 L110 G114 L118 I125 I131 | H95-L116 HydrophobicContact CB-CD2 3.86Å; S107-L116 WeakPolarHBondContact CB-O 3.27Å; S107-L116 PolarHBondContact OG-O 3.47Å; W108-L116 WeakPolarHBondContact O-CD2 3.44Å; L110-L116 WeakPolarHBondContact O-CD2 3.33Å; L110-L116 WeakPolarHBondContact O-CG 3.26Å; G114-L116 PolarHBondContact O-N 3.07Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 HydrophobicContact CB-CD1 4.11Å; L116-L118 HydrophobicContact CB-CG 4.03Å; L116-L118 HydrophobicContact CD1-CD1 4.42Å; L116-L118 PolarHBondContact O-N 3.19Å; L116-I125 HydrophobicContact CD1-CB 3.78Å; L116-I125 HydrophobicContact CD1-CG1 3.34Å; L116-I131 VanDerWaalsContact O-CD1 3.32Å; L116-I131 WeakPolarHBondContact O-CD1 3.34Å; L116-I131 WeakPolarHBondContact O-CG1 3.48Å |
| 117 | G | 96 | Very high | 93.7 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | 74.5 | 15.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G114 N119 I131 W161 S179 | G114-G117 PolarHBondContact O-N 3.21Å; G117-N119 VanDerWaalsContact C-N 3.31Å; G117-N119 PolarHBondContact O-N 2.94Å; G117-I131 WeakPolarHBondContact O-CG2 3.49Å; G117-W161 VanDerWaalsContact CA-CD1 3.42Å; G117-W161 VanDerWaalsContact N-CD1 3.33Å; G117-S179 CarbonylContact C-O 3.05Å; G117-S179 WeakPolarHBondContact CA-O 3.49Å | ||
| 118 | L | 94.6 | Very high | 93.6 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -89.1 | 17.2 | -170.5 | -60.1 | 176.9 | 0 | 0 | 0 | 114.5 | L116 N120 I125 R129 I131 S179 | L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 HydrophobicContact CB-CD1 4.11Å; L116-L118 HydrophobicContact CB-CG 4.03Å; L116-L118 HydrophobicContact CD1-CD1 4.42Å; L116-L118 PolarHBondContact O-N 3.19Å; L118-N120 PolarHBondContact O-N 3.1Å; L118-I125 HydrophobicContact CD1-CD1 4.34Å; L118-I125 HydrophobicContact CD1-CG1 3.88Å; L118-R129 HydrophobicContact CD1-CB 4Å; L118-R129 HydrophobicContact CD2-CB 4.01Å; L118-I131 HydrophobicContact CD2-CG1 4.22Å; L118-S179 PolarHBondContact N-O 3.48Å |
| 119 | N | 89.9 | Confident | 93.6 | Very high | 123 Ų | 123 | 47.2 Ų | 47.2 | 66% | 0.658 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 58.8 | 28.3 | -177.4 | -163.9 | 27.1 | 0 | 0 | 0 | 114 | G117 S179 T180 | G117-N119 VanDerWaalsContact C-N 3.31Å; G117-N119 PolarHBondContact O-N 2.94Å; N119-S179 PolarHBondContact N-O 3.26Å; N119-T180 HydrophobicContact CB-CG2 3.66Å; N119-T180 WeakPolarHBondContact OD1-CG2 3.41Å |
| 120 | N | 87.4 | Confident | 93.6 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -149.1 | 169.3 | 174.7 | 63.1 | 21.6 | 0 | 0 | 0 | 109.7 | L118 E122 S179 | L118-N120 PolarHBondContact O-N 3.1Å; N120-E122 HydrophobicContact CB-CG 4.45Å; N120-E122 PolarHBondContact ND2-OE1 3.22Å; N120-S179 VanDerWaalsContact O-CB 3.28Å; N120-S179 WeakPolarHBondContact O-CB 3.32Å |
| 121 | F | 89.4 | Confident | 93.6 | Very high | 110 Ų | 110 | 48.4 Ų | 48.4 | 48% | 0.482 | 24% | 0.242 | S | C | . | . | trans | -113.7 | 43.5 | 173.2 | -65.2 | -85.2 | 0 | 0 | 0 | 109.7 | E123 | F121-E123 PolarHBondContact O-N 3.5Š| ||
| 122 | E | 87.3 | Confident | 93.6 | Very high | 83 Ų | 83 | 56.8 Ų | 56.8 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | trans | -59.6 | 135 | 173.6 | -79.9 | 178.6 | -156.4 | 0 | 0 | 109.5 | G111 N120 C124 I125 R129 | G111-E122 CarbonylContact C-O 3.56Å; G111-E122 VanDerWaalsContact CA-O 3.23Å; G111-E122 WeakPolarHBondContact CA-O 3.46Å; N120-E122 HydrophobicContact CB-CG 4.45Å; N120-E122 PolarHBondContact ND2-OE1 3.22Å; E122-C124 PolarHBondContact O-N 3.46Å; E122-I125 HydrophobicContact CB-CD1 4.19Å; E122-I125 WeakPolarHBondContact OE2-CD1 3.28Å; E122-R129 IonicContact OE1-NH1 3.98Å; E122-R129 IonicContact OE2-CZ 2.69Å; E122-R129 IonicContact OE2-NH1 2.66Å; E122-R129 PolarHBondContact OE2-NH1 3.07Å; E122-R129 IonicContact OE2-NH2 2.73Å | ||
| 123 | E | 88.1 | Confident | 93.6 | Very high | 141 Ų | 141 | 57.5 Ų | 57.5 | 66% | 0.659 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -59.3 | -47.8 | -173.4 | -174.6 | -179.3 | -175.4 | 0 | 0 | 111.8 | L110 G111 F121 | L110-E123 WeakPolarHBondContact CD1-O 3.5Å; G111-E123 PolarHBondContact N-O 3.45Å; F121-E123 PolarHBondContact O-N 3.5Å |
| 124 | C | 91.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 29% | 0.291 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 152.2 | 173.9 | 67.9 | 0 | 0 | 0 | 0 | 113.4 | L63 G109 E122 | L63-C124 WeakPolarHBondContact O-CB 2.9Å; G109-C124 CarbonylContact O-C 3.39Å; G109-C124 WeakPolarHBondContact O-CA 3.38Å; E122-C124 PolarHBondContact O-N 3.46Å |
| 125 | I | 94.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 117.3 | 176.5 | -61.6 | -59.1 | 0 | 0 | 0 | 108.2 | W108 G109 L116 L118 E122 V127 R129 | W108-I125 HydrophobicContact CB-CG2 4.16Å; W108-I125 WeakPolarHBondContact CB-O 3.05Å; G109-I125 PolarHBondContact N-O 2.85Å; G109-I125 PolarHBondContact O-N 3.16Å; L116-I125 HydrophobicContact CD1-CB 3.78Å; L116-I125 HydrophobicContact CD1-CG1 3.34Å; L118-I125 HydrophobicContact CD1-CD1 4.34Å; L118-I125 HydrophobicContact CD1-CG1 3.88Å; E122-I125 HydrophobicContact CB-CD1 4.19Å; E122-I125 WeakPolarHBondContact OE2-CD1 3.28Å; I125-V127 WeakPolarHBondContact CG2-O 2.98Å; I125-R129 HydrophobicContact CG2-CG 4.03Å |
| 126 | R | 93.3 | Very high | 92.9 | Very high | 107 Ų | 107 | 66.6 Ų | 66.6 | 40% | 0.404 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -16.2 | -176.7 | -67.8 | 177.8 | 172.6 | -103.1 | -9.2 | 114.6 | G67 | G67-R126 CarbonylContact C-O 3.6Å; G67-R126 WeakPolarHBondContact CA-O 3.33Å |
| 127 | V | 93.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 68 Ų | 68 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 131.5 | -176.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | A80 I125 R129 | A80-V127 HydrophobicContact CB-CG1 3.73Å; I125-V127 WeakPolarHBondContact CG2-O 2.98Å; V127-R129 PolarHBondContact O-N 2.83Å |
| 128 | P | 96.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 71.6 Ų | 71.6 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -45.8 | 125.9 | 176.4 | -27.8 | 32.2 | 0 | 0 | 0 | 113.4 | V78 A80 L81 F106 W108 | V78-P128 HydrophobicContact CG1-CG 3.57Å; A80-P128 HydrophobicContact CB-CG 4.13Å; L81-P128 HydrophobicContact CD1-CB 4.43Å; L81-P128 HydrophobicContact CD1-CG 4.18Å; L81-P128 HydrophobicContact CD2-CB 3.73Å; L81-P128 HydrophobicContact CD2-CG 4.22Å; L81-P128 HydrophobicContact CG-CB 4.04Å; L81-P128 HydrophobicContact CG-CG 3.95Å; F106-P128 HydrophobicContact CB-CB 4.37Å; W108-P128 HydrophobicContact CD2-CB 4.14Å; W108-P128 HydrophobicContact CD2-CG 3.73Å; W108-P128 HydrophobicContact CE3-CB 3.54Å; W108-P128 HydrophobicContact CE3-CG 3.59Å; W108-P128 HydrophobicContact CG-CG 4.26Å; W108-P128 HydrophobicContact CH2-CG 4.36Å; W108-P128 HydrophobicContact CZ2-CG 4.49Å; W108-P128 HydrophobicContact CZ3-CB 3.93Å; W108-P128 HydrophobicContact CZ3-CG 3.94Å |
| 129 | R | 95.9 | Very high | 92.6 | Very high | 112 Ų | 112 | 70.3 Ų | 70.3 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.3 | 175.6 | -71.7 | -176.8 | 179.5 | 173.3 | 5.9 | 110.6 | F106 S107 L118 E122 I125 V127 | F106-R129 CarbonylContact C-O 3.47Å; F106-R129 VanDerWaalsContact CA-O 3.26Å; F106-R129 WeakPolarHBondContact CA-O 3.11Å; S107-R129 PolarHBondContact N-O 2.94Å; S107-R129 PolarHBondContact O-N 3.38Å; L118-R129 HydrophobicContact CD1-CB 4Å; L118-R129 HydrophobicContact CD2-CB 4.01Å; E122-R129 IonicContact OE1-NH1 3.98Å; E122-R129 IonicContact OE2-CZ 2.69Å; E122-R129 IonicContact OE2-NH1 2.66Å; E122-R129 PolarHBondContact OE2-NH1 3.07Å; E122-R129 IonicContact OE2-NH2 2.73Å; I125-R129 HydrophobicContact CG2-CG 4.03Å; V127-R129 PolarHBondContact O-N 2.83Å |
| 130 | N | 96.5 | Very high | 92.9 | Very high | 45 Ų | 45 | 64.4 Ų | 64.4 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 132.6 | 174.5 | -176.4 | 8.8 | 0 | 0 | 0 | 110.9 | V105 F106 K132 | V105-N130 PolarHBondContact O-OD1 2.68Å; F106-N130 HydrophobicContact CD1-CB 4.01Å; F106-N130 HydrophobicContact CE1-CB 3.78Å; F106-N130 HydrophobicContact CZ-CB 4.34Å; N130-K132 PolarHBondContact O-N 2.75Å; N130-K132 VanDerWaalsContact O-N 3.09Å |
| 131 | I | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -76.7 | 90.3 | 172.8 | -57.3 | -179.6 | 0 | 0 | 0 | 109 | V105 L116 G117 L118 S133 L134 W161 P181 | V105-I131 HydrophobicContact CB-CD1 4.17Å; V105-I131 HydrophobicContact CG1-CD1 3.73Å; V105-I131 HydrophobicContact CG1-CG1 4.47Å; V105-I131 PolarHBondContact O-N 2.84Å; L116-I131 VanDerWaalsContact O-CD1 3.32Å; L116-I131 WeakPolarHBondContact O-CD1 3.34Å; L116-I131 WeakPolarHBondContact O-CG1 3.48Å; G117-I131 WeakPolarHBondContact O-CG2 3.49Å; L118-I131 HydrophobicContact CD2-CG1 4.22Å; I131-S133 WeakPolarHBondContact CG2-OG 3.41Å; I131-S133 PolarHBondContact O-N 3.2Å; I131-S133 VanDerWaalsContact O-N 3.15Å; I131-L134 HydrophobicContact CG2-CB 4.33Å; I131-L134 HydrophobicContact CG2-CD1 4.04Å; I131-L134 HydrophobicContact CG2-CG 4.07Å; I131-L134 PolarHBondContact O-N 3.2Å; I131-W161 HydrophobicContact CD1-CH2 4.5Å; I131-W161 HydrophobicContact CD1-CZ2 3.74Å; I131-P181 HydrophobicContact CG2-CG 3.75Å | ||
| 132 | K | 94.9 | Very high | 93.6 | Very high | 178 Ų | 178 | 59.2 Ų | 59.2 | 77% | 0.774 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -57 | -32.7 | -174.7 | -65.5 | -174.2 | -179.3 | -179.3 | 0 | 114.1 | N130 L134 S135 | N130-K132 PolarHBondContact O-N 2.75Å; N130-K132 VanDerWaalsContact O-N 3.09Å; K132-L134 PolarHBondContact O-N 3.41Å; K132-S135 WeakPolarHBondContact CA-OG 3.12Å; K132-S135 VanDerWaalsContact O-CB 3.31Å; K132-S135 WeakPolarHBondContact O-CB 3.49Å; K132-S135 PolarHBondContact O-N 2.9Å; K132-S135 VanDerWaalsContact O-N 3.08Å; K132-S135 PolarHBondContact O-OG 3.36Å |
| 133 | S | 94.7 | Very high | 94.1 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 49% | 0.49 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -67.6 | -13.9 | 179.1 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | I131 P181 | I131-S133 WeakPolarHBondContact CG2-OG 3.41Å; I131-S133 PolarHBondContact O-N 3.2Å; I131-S133 VanDerWaalsContact O-N 3.15Å; S133-P181 VanDerWaalsContact OG-CD 3.31Å; S133-P181 WeakPolarHBondContact OG-CD 3.21Å |
| 134 | L | 95.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -105.5 | 5.3 | 173.9 | -67.2 | 174.9 | 0 | 0 | 0 | 112.4 | V105 I131 K132 D136 V137 A151 F159 W161 P181 | V105-L134 HydrophobicContact CG2-CD1 4.37Å; I131-L134 HydrophobicContact CG2-CB 4.33Å; I131-L134 HydrophobicContact CG2-CD1 4.04Å; I131-L134 HydrophobicContact CG2-CG 4.07Å; I131-L134 PolarHBondContact O-N 3.2Å; K132-L134 PolarHBondContact O-N 3.41Å; L134-D136 VanDerWaalsContact C-N 3.26Å; L134-D136 PolarHBondContact O-N 2.89Å; L134-V137 HydrophobicContact CD2-CB 4.5Å; L134-V137 HydrophobicContact CD2-CG2 4.45Å; L134-V137 PolarHBondContact O-N 2.82Å; L134-V137 VanDerWaalsContact O-O 3.07Å; L134-A151 HydrophobicContact CD1-CB 4.46Å; L134-F159 HydrophobicContact CD2-CB 4.38Å; L134-F159 HydrophobicContact CD2-CD1 3.95Å; L134-F159 HydrophobicContact CD2-CD2 4.2Å; L134-F159 HydrophobicContact CD2-CE1 4.27Å; L134-F159 HydrophobicContact CD2-CG 3.91Å; L134-W161 HydrophobicContact CD1-CH2 4.01Å; L134-W161 HydrophobicContact CD1-CZ3 4.15Å; L134-P181 HydrophobicContact CD1-CB 4.05Å; L134-P181 HydrophobicContact CD1-CG 3.79Å; L134-P181 HydrophobicContact CD2-CB 3.8Å; L134-P181 HydrophobicContact CD2-CG 4.3Å; L134-P181 HydrophobicContact CG-CB 3.91Å; L134-P181 HydrophobicContact CG-CG 3.83Å |
| 135 | S | 89.8 | Confident | 94.8 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 32% | 0.315 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26.2 | -173.3 | -68 | 0 | 0 | 0 | 0 | 114.1 | K132 V137 | K132-S135 WeakPolarHBondContact CA-OG 3.12Å; K132-S135 VanDerWaalsContact O-CB 3.31Å; K132-S135 WeakPolarHBondContact O-CB 3.49Å; K132-S135 PolarHBondContact O-N 2.9Å; K132-S135 VanDerWaalsContact O-N 3.08Å; K132-S135 PolarHBondContact O-OG 3.36Å; S135-V137 VanDerWaalsContact C-N 3.33Å |
| 136 | D | 87.9 | Confident | 94.9 | Very high | 165 Ų | 165 | 48.7 Ų | 48.7 | 88% | 0.882 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.8 | 175.5 | -58 | -40.1 | 0 | 0 | 0 | 112.9 | L134 | L134-D136 VanDerWaalsContact C-N 3.26Å; L134-D136 PolarHBondContact O-N 2.89Å |
| 137 | V | 92.2 | Very high | 95.1 | Very high | 32 Ų | 32 | 47 Ų | 47 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -109.2 | 121.4 | -179.3 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | L134 S135 V139 S153 F159 | L134-V137 HydrophobicContact CD2-CB 4.5Å; L134-V137 HydrophobicContact CD2-CG2 4.45Å; L134-V137 PolarHBondContact O-N 2.82Å; L134-V137 VanDerWaalsContact O-O 3.07Å; S135-V137 VanDerWaalsContact C-N 3.33Å; V137-V139 HydrophobicContact CG1-CG2 4.32Å; V137-V139 PolarHBondContact O-N 3.01Å; V137-S153 VanDerWaalsContact CG1-CB 3.47Å; V137-F159 HydrophobicContact CG1-CE2 3.81Å; V137-F159 HydrophobicContact CG1-CZ 4.24Å; V137-F159 HydrophobicContact CG2-CE2 4.42Å; V137-F159 HydrophobicContact CG2-CZ 4.04Å |
| 138 | Q | 93.3 | Very high | 95.3 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | trans | -73 | 101.8 | 171 | -65.2 | -173 | 12.8 | 0 | 0 | 109.5 | S153 R154 | Q138-S153 CarbonylContact O-C 3.59Å; Q138-S153 VanDerWaalsContact O-CA 3.3Å; Q138-S153 WeakPolarHBondContact O-CA 3.17Å; Q138-R154 HydrophobicContact CB-CB 4.22Å; Q138-R154 HydrophobicContact CB-CG 4.15Å; Q138-R154 PolarHBondContact O-N 2.72Å | ||
| 139 | V | 96.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.7 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | L99 G103 V105 V137 Q141 V142 A151 | L99-V139 HydrophobicContact CD1-CB 3.75Å; L99-V139 HydrophobicContact CD1-CG1 3.85Å; L99-V139 HydrophobicContact CD2-CG1 4.29Å; G103-V139 WeakPolarHBondContact CA-O 3.35Å; G103-V139 VanDerWaalsContact O-CB 3.31Å; G103-V139 WeakPolarHBondContact O-CB 3.43Å; G103-V139 PolarHBondContact O-N 3.01Å; V105-V139 HydrophobicContact CG2-CB 3.91Å; V105-V139 HydrophobicContact CG2-CG1 3.88Å; V105-V139 HydrophobicContact CG2-CG2 3.78Å; V137-V139 HydrophobicContact CG1-CG2 4.32Å; V137-V139 PolarHBondContact O-N 3.01Å; V139-Q141 WeakPolarHBondContact CG1-O 3.44Å; V139-V142 HydrophobicContact CG1-CG1 4.06Å; V139-A151 HydrophobicContact CG1-CB 3.93Å; V139-A151 HydrophobicContact CG2-CB 4.4Å |
| 140 | A | 94.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -32.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L99 L152 R154 R395 | L99-A140 WeakPolarHBondContact CD2-O 3.19Å; A140-L152 PolarHBondContact N-O 3.22Å; A140-R154 HydrophobicContact CB-CG 3.82Å; A140-R395 WeakPolarHBondContact O-CA 3.47Å |
| 141 | Q | 95.9 | Very high | 95.6 | Very high | 35 Ų | 35 | 35.2 Ų | 35.2 | 16% | 0.164 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 147.2 | -178 | -162.2 | -165.8 | -9.6 | 0 | 0 | 111.1 | V139 A151 L152 L195 | V139-Q141 WeakPolarHBondContact CG1-O 3.44Å; Q141-A151 CarbonylContact O-C 2.93Å; Q141-A151 VanDerWaalsContact O-CA 3.28Å; Q141-A151 WeakPolarHBondContact O-CA 3.35Å; Q141-L152 HydrophobicContact CB-CB 4.06Å; Q141-L152 PolarHBondContact N-O 2.81Å; Q141-L152 PolarHBondContact O-N 2.71Å; Q141-L195 PolarHBondContact NE2-O 3.22Å |
| 142 | V | 97.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.6 | 168 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | L97 L99 V105 V139 L150 A151 | L97-V142 HydrophobicContact CB-CB 4.45Å; L97-V142 HydrophobicContact CB-CG2 4.26Å; L97-V142 HydrophobicContact CD1-CB 4.19Å; L99-V142 HydrophobicContact CB-CG1 4.45Å; L99-V142 HydrophobicContact CB-CG2 4.37Å; V105-V142 HydrophobicContact CG1-CG1 4.03Å; V105-V142 HydrophobicContact CG2-CG1 3.91Å; V139-V142 HydrophobicContact CG1-CG1 4.06Å; V142-L150 WeakPolarHBondContact CA-O 3.24Å; V142-A151 HydrophobicContact CG1-CB 4.42Å |
| 143 | A | 97.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 27 Ų | 27 | 7% | 0.066 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S90 L150 L195 A197 | S90-A143 WeakPolarHBondContact OG-CA 3.45Å; A143-L150 HydrophobicContact CB-CB 4.4Å; A143-L150 PolarHBondContact N-O 3.18Å; A143-L150 PolarHBondContact O-N 2.84Å; A143-L195 HydrophobicContact CB-CB 4.16Å; A143-A197 HydrophobicContact CB-CB 4.4Å |
| 144 | C | 97.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 25.8 Ų | 25.8 | 8% | 0.081 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.8 | -178.1 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | S90 L97 A197 | S90-C144 PolarHBondContact O-SG 3.49Å; S90-C144 WeakPolarHBondContact OG-CB 3.43Å; S90-C144 PolarHBondContact OG-N 2.86Å; S90-C144 PolarHBondContact OG-SG 3.21Å; L97-C144 WeakPolarHBondContact CD1-SG 3.23Å; L97-C144 VanDerWaalsContact CG-SG 3.54Å; C144-A197 VanDerWaalsContact C-CB 3.45Å |
| 145 | G | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | trans | -91.1 | -164.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G92 H95 H148 G198 | G92-G145 WeakPolarHBondContact CA-O 3.4Å; H95-G145 PolarHBondContact CE1-O 2.97Å; G145-H148 PolarHBondContact N-O 2.7Å; G145-G198 WeakPolarHBondContact CA-O 3.27Å | ||
| 146 | F | 96.5 | Very high | 95.7 | Very high | 28 Ų | 28 | 24 Ų | 24 | 12% | 0.123 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -65.1 | -46.9 | -178.9 | -73.4 | 0.4 | 0 | 0 | 0 | 112.3 | E93 G199 E251 | E93-F146 HydrophobicContact CB-CB 3.84Å; E93-F146 HydrophobicContact CB-CD1 4.2Å; E93-F146 HydrophobicContact CB-CG 4.05Å; E93-F146 WeakPolarHBondContact CB-O 3.31Å; E93-F146 PolarHBondContact N-O 3.11Å; F146-G199 WeakPolarHBondContact CB-O 3.22Å; F146-G199 PolarHBondContact N-O 3.19Å; F146-E251 HydrophobicContact CE2-CB 4.25Å; F146-E251 HydrophobicContact CE2-CG 3.53Å; F146-E251 HydrophobicContact CZ-CB 3.74Å; F146-E251 HydrophobicContact CZ-CG 3.55Å |
| 147 | W | 96.9 | Very high | 96.1 | Very high | 71 Ų | 71 | 20.5 Ų | 20.5 | 27% | 0.269 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -130.2 | 18.6 | -175.1 | -51.6 | -68.6 | 0 | 0 | 0 | 113 | E93 D113 Q115 Q163 | E93-W147 WeakPolarHBondContact OE2-CZ2 3.06Å; E93-W147 PolarHBondContact OE2-NE1 3.19Å; E93-W147 VanDerWaalsContact OE2-NE1 3.1Å; D113-W147 HydrophobicContact CB-CB 4.48Å; Q115-W147 WeakPolarHBondContact CB-O 3.35Å; W147-Q163 HydrophobicContact CB-CB 3.73Å; W147-Q163 WeakPolarHBondContact O-CB 3.13Å; W147-Q163 PolarHBondContact O-N 2.96Å |
| 148 | H | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 164.4 | 176.4 | 73.5 | -74.6 | 0 | 0 | 0 | 111.3 | G145 W161 Q168 L169 S202 | G145-H148 PolarHBondContact N-O 2.7Å; H148-W161 CarbonylContact C-O 3.58Å; H148-W161 WeakPolarHBondContact CA-O 3.3Å; H148-W161 WeakPolarHBondContact CB-O 3.31Å; H148-Q168 HydrophobicContact CB-CG 4.23Å; H148-L169 HydrophobicContact CB-CD2 3.77Å; H148-S202 PolarHBondContact NE2-OG 3.12Å |
| 149 | S | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.6 | -172.7 | -68.6 | 0 | 0 | 0 | 0 | 109.5 | H95 Q115 S160 W161 | H95-S149 PolarHBondContact NE2-OG 2.84Å; Q115-S149 PolarHBondContact O-OG 3.06Å; S149-S160 WeakPolarHBondContact O-CA 3.44Å; S149-W161 VanDerWaalsContact CB-CZ2 3.43Å; S149-W161 VanDerWaalsContact CB-NE1 3.34Å; S149-W161 PolarHBondContact N-O 3.25Å; S149-W161 PolarHBondContact O-N 3.49Å |
| 150 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147.6 | 178.7 | -53.1 | 174.5 | 0 | 0 | 0 | 109.8 | V142 A143 F159 S160 L195 A197 | V142-L150 WeakPolarHBondContact CA-O 3.24Å; A143-L150 HydrophobicContact CB-CB 4.4Å; A143-L150 PolarHBondContact N-O 3.18Å; A143-L150 PolarHBondContact O-N 2.84Å; L150-F159 CarbonylContact C-O 3.6Å; L150-F159 VanDerWaalsContact CA-O 3.25Å; L150-F159 WeakPolarHBondContact CA-O 3.44Å; L150-S160 VanDerWaalsContact CD2-CB 3.49Å; L150-L195 HydrophobicContact CB-CD1 3.95Å; L150-A197 HydrophobicContact CD1-CB 4.12Å |
| 151 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 140.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L134 V139 Q141 V142 I158 F159 W161 | L134-A151 HydrophobicContact CD1-CB 4.46Å; V139-A151 HydrophobicContact CG1-CB 3.93Å; V139-A151 HydrophobicContact CG2-CB 4.4Å; Q141-A151 CarbonylContact O-C 2.93Å; Q141-A151 VanDerWaalsContact O-CA 3.28Å; Q141-A151 WeakPolarHBondContact O-CA 3.35Å; V142-A151 HydrophobicContact CG1-CB 4.42Å; A151-I158 CarbonylContact O-C 3.39Å; A151-I158 WeakPolarHBondContact O-CA 3.27Å; A151-F159 HydrophobicContact CB-CB 4.45Å; A151-F159 PolarHBondContact N-O 3.24Å; A151-F159 PolarHBondContact O-N 3.09Å; A151-W161 HydrophobicContact CB-CH2 3.82Å; A151-W161 HydrophobicContact CB-CZ3 3.83Å |
| 152 | L | 97.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.1 | 170.5 | 179.3 | 60.6 | 0 | 0 | 0 | 108.2 | A140 Q141 I158 F192 L195 V397 | A140-L152 PolarHBondContact N-O 3.22Å; Q141-L152 HydrophobicContact CB-CB 4.06Å; Q141-L152 PolarHBondContact N-O 2.81Å; Q141-L152 PolarHBondContact O-N 2.71Å; L152-I158 HydrophobicContact CD1-CG1 3.87Å; L152-F192 HydrophobicContact CD1-CB 4.05Å; L152-F192 HydrophobicContact CD2-CB 4.14Å; L152-L195 HydrophobicContact CB-CD1 3.66Å; L152-L195 HydrophobicContact CB-CG 4.01Å; L152-V397 HydrophobicContact CD1-CG2 4.21Å; L152-V397 HydrophobicContact CD2-CG2 4.06Å; L152-V397 HydrophobicContact CG-CG2 4.24Å |
| 153 | S | 96 | Very high | 96.9 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 156.8 | 172.1 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | V137 Q138 G155 G156 Q157 | V137-S153 VanDerWaalsContact CG1-CB 3.47Å; Q138-S153 CarbonylContact O-C 3.59Å; Q138-S153 VanDerWaalsContact O-CA 3.3Å; Q138-S153 WeakPolarHBondContact O-CA 3.17Å; S153-G155 PolarHBondContact O-N 3.48Å; S153-G156 PolarHBondContact O-N 2.98Å; S153-G156 PolarHBondContact OG-N 2.99Å; S153-Q157 PolarHBondContact N-O 3.41Å; S153-Q157 WeakPolarHBondContact OG-CA 3.21Å; S153-Q157 WeakPolarHBondContact OG-CB 3.07Å; S153-Q157 PolarHBondContact OG-N 3.07Å; S153-Q157 PolarHBondContact OG-O 3.29Å |
| 154 | R | 93.9 | Very high | 96.8 | Very high | 46 Ų | 46 | 14.2 Ų | 14.2 | 17% | 0.174 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24 | 168.4 | -67.5 | -169.8 | 72.7 | -161.5 | 2.3 | 112.2 | Q138 A140 G156 V397 C398 L426 | Q138-R154 HydrophobicContact CB-CB 4.22Å; Q138-R154 HydrophobicContact CB-CG 4.15Å; Q138-R154 PolarHBondContact O-N 2.72Å; A140-R154 HydrophobicContact CB-CG 3.82Å; R154-G156 PolarHBondContact O-N 3.42Å; R154-V397 CarbonylContact O-C 3.4Å; R154-V397 WeakPolarHBondContact O-CA 3.27Å; R154-V397 WeakPolarHBondContact O-CG1 3.27Å; R154-C398 PolarHBondContact O-N 3.38Å; R154-L426 HydrophobicContact CB-CD2 3.97Å |
| 155 | G | 93.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 21 Ų | 21 | 8% | 0.082 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -0.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S153 Q157 S430 | S153-G155 PolarHBondContact O-N 3.48Å; G155-Q157 VanDerWaalsContact C-N 3.34Å; G155-Q157 PolarHBondContact O-N 3.14Å; G155-S430 WeakPolarHBondContact O-CB 3.26Å; G155-S430 PolarHBondContact O-OG 3.09Å |
| 156 | G | 93.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 81.3 | 3.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S153 R154 | S153-G156 PolarHBondContact O-N 2.98Å; S153-G156 PolarHBondContact OG-N 2.99Å; R154-G156 PolarHBondContact O-N 3.42Å |
| 157 | Q | 94.9 | Very high | 96.9 | Very high | 91 Ų | 91 | 23 Ų | 23 | 43% | 0.425 | 10% | 0.096 | S | C | . | . | trans | -76.4 | 137.5 | 170.9 | -58.6 | 175.5 | -52.9 | 0 | 0 | 110.8 | S153 G155 F159 | S153-Q157 PolarHBondContact N-O 3.41Å; S153-Q157 WeakPolarHBondContact OG-CA 3.21Å; S153-Q157 WeakPolarHBondContact OG-CB 3.07Å; S153-Q157 PolarHBondContact OG-N 3.07Å; S153-Q157 PolarHBondContact OG-O 3.29Å; G155-Q157 VanDerWaalsContact C-N 3.34Å; G155-Q157 PolarHBondContact O-N 3.14Å; Q157-F159 HydrophobicContact CB-CE2 3.85Å; Q157-F159 HydrophobicContact CB-CZ 4.28Å | ||
| 158 | I | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.7 | 175.3 | -61.8 | 169.2 | 0 | 0 | 0 | 109 | A151 L152 A183 V184 L187 F192 L195 A204 | A151-I158 CarbonylContact O-C 3.39Å; A151-I158 WeakPolarHBondContact O-CA 3.27Å; L152-I158 HydrophobicContact CD1-CG1 3.87Å; I158-A183 CarbonylContact O-C 3.54Å; I158-A183 WeakPolarHBondContact O-CA 3.49Å; I158-V184 HydrophobicContact CB-CB 4.42Å; I158-V184 HydrophobicContact CB-CG2 4.49Å; I158-V184 HydrophobicContact CG2-CB 4.48Å; I158-V184 HydrophobicContact CG2-CG2 4.06Å; I158-V184 PolarHBondContact O-N 2.96Å; I158-L187 HydrophobicContact CD1-CD1 3.71Å; I158-F192 HydrophobicContact CD1-CD1 4.26Å; I158-F192 HydrophobicContact CD1-CD2 3.64Å; I158-F192 HydrophobicContact CD1-CE1 4.21Å; I158-F192 HydrophobicContact CD1-CE2 3.59Å; I158-F192 HydrophobicContact CD1-CG 3.99Å; I158-F192 HydrophobicContact CD1-CZ 3.9Å; I158-F192 HydrophobicContact CG1-CD2 4.16Å; I158-F192 HydrophobicContact CG1-CE2 4.37Å; I158-L195 HydrophobicContact CD1-CD2 3.71Å; I158-L195 HydrophobicContact CG1-CD2 3.98Å; I158-L195 HydrophobicContact CG2-CD1 4.19Å; I158-L195 HydrophobicContact CG2-CD2 4.24Å; I158-A204 HydrophobicContact CD1-CB 3.83Å |
| 159 | F | 98.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 19.6 Ų | 19.6 | 10% | 0.101 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.4 | 173.9 | -62.8 | -94.9 | 0 | 0 | 0 | 110.2 | L134 V137 L150 A151 Q157 W161 P181 Q182 A183 | L134-F159 HydrophobicContact CD2-CB 4.38Å; L134-F159 HydrophobicContact CD2-CD1 3.95Å; L134-F159 HydrophobicContact CD2-CD2 4.2Å; L134-F159 HydrophobicContact CD2-CE1 4.27Å; L134-F159 HydrophobicContact CD2-CG 3.91Å; V137-F159 HydrophobicContact CG1-CE2 3.81Å; V137-F159 HydrophobicContact CG1-CZ 4.24Å; V137-F159 HydrophobicContact CG2-CE2 4.42Å; V137-F159 HydrophobicContact CG2-CZ 4.04Å; L150-F159 CarbonylContact C-O 3.6Å; L150-F159 VanDerWaalsContact CA-O 3.25Å; L150-F159 WeakPolarHBondContact CA-O 3.44Å; A151-F159 HydrophobicContact CB-CB 4.45Å; A151-F159 PolarHBondContact N-O 3.24Å; A151-F159 PolarHBondContact O-N 3.09Å; Q157-F159 HydrophobicContact CB-CE2 3.85Å; Q157-F159 HydrophobicContact CB-CZ 4.28Å; F159-W161 HydrophobicContact CB-CE3 4.43Å; F159-W161 HydrophobicContact CB-CZ3 4.11Å; F159-P181 HydrophobicContact CB-CB 4.25Å; F159-P181 HydrophobicContact CD1-CB 4.43Å; F159-Q182 CarbonylContact C-O 3.15Å; F159-Q182 VanDerWaalsContact CA-O 3.26Å; F159-Q182 WeakPolarHBondContact CA-O 3.29Å; F159-A183 HydrophobicContact CD1-CB 4.13Å; F159-A183 HydrophobicContact CE1-CB 3.92Å |
| 160 | S | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.5 | 177.7 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | S149 L150 L169 Q182 | S149-S160 WeakPolarHBondContact O-CA 3.44Å; L150-S160 VanDerWaalsContact CD2-CB 3.49Å; S160-L169 WeakPolarHBondContact CB-O 3.47Å; S160-L169 PolarHBondContact OG-O 3.46Å; S160-Q182 PolarHBondContact N-O 2.97Å; S160-Q182 PolarHBondContact O-N 3.15Å |
| 161 | W | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 166 | 175.9 | 62.1 | 97.5 | 0 | 0 | 0 | 111.4 | L97 Q115 G117 I131 L134 H148 S149 A151 F159 L169 P181 | L97-W161 HydrophobicContact CD1-CZ2 4.09Å; Q115-W161 PolarHBondContact O-NE1 3.36Å; G117-W161 VanDerWaalsContact CA-CD1 3.42Å; G117-W161 VanDerWaalsContact N-CD1 3.33Å; I131-W161 HydrophobicContact CD1-CH2 4.5Å; I131-W161 HydrophobicContact CD1-CZ2 3.74Å; L134-W161 HydrophobicContact CD1-CH2 4.01Å; L134-W161 HydrophobicContact CD1-CZ3 4.15Å; H148-W161 CarbonylContact C-O 3.58Å; H148-W161 WeakPolarHBondContact CA-O 3.3Å; H148-W161 WeakPolarHBondContact CB-O 3.31Å; S149-W161 VanDerWaalsContact CB-CZ2 3.43Å; S149-W161 VanDerWaalsContact CB-NE1 3.34Å; S149-W161 PolarHBondContact N-O 3.25Å; S149-W161 PolarHBondContact O-N 3.49Å; A151-W161 HydrophobicContact CB-CH2 3.82Å; A151-W161 HydrophobicContact CB-CZ3 3.83Å; F159-W161 HydrophobicContact CB-CE3 4.43Å; F159-W161 HydrophobicContact CB-CZ3 4.11Å; W161-L169 WeakPolarHBondContact O-CD2 3.42Å; W161-P181 HydrophobicContact CD2-CB 4.12Å; W161-P181 HydrophobicContact CD2-CG 3.74Å; W161-P181 HydrophobicContact CE3-CB 3.59Å; W161-P181 HydrophobicContact CE3-CG 3.67Å; W161-P181 HydrophobicContact CG-CG 4.2Å; W161-P181 HydrophobicContact CZ3-CB 4.03Å; W161-P181 HydrophobicContact CZ3-CG 4.1Å |
| 162 | G | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108.3 | -148.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D113 S177 V178 | D113-G162 CarbonylContact O-C 3.58Å; D113-G162 WeakPolarHBondContact O-CA 3.14Å; G162-S177 CarbonylContact O-C 3.5Å; G162-S177 VanDerWaalsContact O-CA 3.3Å; G162-S177 WeakPolarHBondContact O-CA 3.47Å; G162-V178 WeakPolarHBondContact CA-O 3.43Å; G162-V178 PolarHBondContact N-O 3.35Å; G162-V178 PolarHBondContact O-N 3.22Å |
| 163 | Q | 97.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.028 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 141.5 | -179.6 | -168.5 | -178.3 | 90.2 | 0 | 0 | 112.1 | D113 W147 R165 Q168 | D113-Q163 HydrophobicContact CB-CB 3.96Å; D113-Q163 PolarHBondContact O-N 3.1Å; D113-Q163 PolarHBondContact OD1-NE2 3.48Å; W147-Q163 HydrophobicContact CB-CB 3.73Å; W147-Q163 WeakPolarHBondContact O-CB 3.13Å; W147-Q163 PolarHBondContact O-N 2.96Å; Q163-R165 HydrophobicContact CG-CB 4.38Å; Q163-R165 HydrophobicContact CG-CG 3.82Å; Q163-Q168 WeakPolarHBondContact O-CG 3.4Å; Q163-Q168 PolarHBondContact O-NE2 3.1Å |
| 164 | N | 97.1 | Very high | 96 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 25.8 | 179.1 | -159.8 | 30.1 | 0 | 0 | 0 | 114.7 | Y166 G167 Q168 L169 L173 T174 G175 Q176 | N164-Y166 PolarHBondContact O-N 3.07Å; N164-G167 PolarHBondContact O-N 3.32Å; N164-G167 WeakPolarHBondContact OD1-CA 3.44Å; N164-Q168 VanDerWaalsContact C-OE1 3.23Å; N164-Q168 PolarHBondContact OD1-N 3.1Å; N164-L169 HydrophobicContact CB-CB 4.5Å; N164-L169 HydrophobicContact CB-CD1 3.67Å; N164-L169 HydrophobicContact CB-CG 3.78Å; N164-L169 WeakPolarHBondContact OD1-CB 3.22Å; N164-L169 WeakPolarHBondContact OD1-CG 2.94Å; N164-L169 PolarHBondContact OD1-N 3.25Å; N164-L173 PolarHBondContact ND2-O 3.22Å; N164-T174 CarbonylContact O-C 3.59Å; N164-T174 WeakPolarHBondContact O-CA 3.42Å; N164-G175 PolarHBondContact O-N 3.29Å; N164-Q176 VanDerWaalsContact CB-O 3.22Å; N164-Q176 WeakPolarHBondContact CB-O 3.35Å |
| 165 | R | 96.9 | Very high | 95.8 | Very high | 153 Ų | 153 | 31.8 Ų | 31.8 | 58% | 0.577 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -34 | -176 | -68.3 | -179.3 | -169.4 | -170.6 | 6.8 | 113.4 | Q163 | Q163-R165 HydrophobicContact CG-CB 4.38Å; Q163-R165 HydrophobicContact CG-CG 3.82Å |
| 166 | Y | 97.3 | Very high | 95.6 | Very high | 73 Ų | 73 | 39.5 Ų | 39.5 | 29% | 0.286 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 9.2 | -177.5 | -53.1 | -72.8 | 0 | 0 | 0 | 112.7 | N164 A200 G215 R216 D229 | N164-Y166 PolarHBondContact O-N 3.07Å; Y166-A200 HydrophobicContact CD2-CB 3.77Å; Y166-A200 HydrophobicContact CE2-CB 4.2Å; Y166-G215 CarbonylContact O-C 3.5Å; Y166-G215 VanDerWaalsContact O-C 3.31Å; Y166-G215 WeakPolarHBondContact O-CA 3.33Å; Y166-R216 HydrophobicContact CD1-CB 4.42Å; Y166-R216 HydrophobicContact CD1-CG 4.16Å; Y166-R216 HydrophobicContact CD2-CB 4.26Å; Y166-R216 HydrophobicContact CD2-CG 4.49Å; Y166-R216 HydrophobicContact CG-CB 3.91Å; Y166-R216 HydrophobicContact CG-CG 4.12Å; Y166-D229 WeakPolarHBondContact CD1-OD2 3.29Å |
| 167 | G | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 80.3 | 15.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N164 L169 G170 | N164-G167 PolarHBondContact O-N 3.32Å; N164-G167 WeakPolarHBondContact OD1-CA 3.44Å; G167-L169 PolarHBondContact O-N 3.14Å; G167-G170 PolarHBondContact O-N 3.07Å |
| 168 | Q | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -10.7 | -175.2 | 64.2 | -99.6 | 56.4 | 0 | 0 | 115 | H148 Q163 N164 A200 S202 W214 | H148-Q168 HydrophobicContact CB-CG 4.23Å; Q163-Q168 WeakPolarHBondContact O-CG 3.4Å; Q163-Q168 PolarHBondContact O-NE2 3.1Å; N164-Q168 VanDerWaalsContact C-OE1 3.23Å; N164-Q168 PolarHBondContact OD1-N 3.1Å; Q168-A200 WeakPolarHBondContact CB-O 3.45Å; Q168-S202 PolarHBondContact O-OG 3.09Å; Q168-W214 VanDerWaalsContact O-CD1 3.28Å; Q168-W214 PolarHBondContact O-NE1 2.84Å |
| 169 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -18.9 | 172.5 | -56.2 | -170.7 | 0 | 0 | 0 | 113.1 | H148 S160 W161 N164 G167 L171 V178 | H148-L169 HydrophobicContact CB-CD2 3.77Å; S160-L169 WeakPolarHBondContact CB-O 3.47Å; S160-L169 PolarHBondContact OG-O 3.46Å; W161-L169 WeakPolarHBondContact O-CD2 3.42Å; N164-L169 HydrophobicContact CB-CB 4.5Å; N164-L169 HydrophobicContact CB-CD1 3.67Å; N164-L169 HydrophobicContact CB-CG 3.78Å; N164-L169 WeakPolarHBondContact OD1-CB 3.22Å; N164-L169 WeakPolarHBondContact OD1-CG 2.94Å; N164-L169 PolarHBondContact OD1-N 3.25Å; G167-L169 PolarHBondContact O-N 3.14Å; L169-L171 HydrophobicContact CB-CD1 3.83Å; L169-L171 HydrophobicContact CB-CG 3.83Å; L169-L171 HydrophobicContact CD1-CD1 3.91Å; L169-L171 PolarHBondContact O-N 3.47Å; L169-V178 HydrophobicContact CD1-CB 3.74Å; L169-V178 HydrophobicContact CD1-CG2 3.65Å |
| 170 | G | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | 74.2 | 13 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G167 G172 C231 P233 | G167-G170 PolarHBondContact O-N 3.07Å; G170-G172 VanDerWaalsContact C-N 3.25Å; G170-G172 PolarHBondContact O-N 3.19Å; G170-C231 CarbonylContact C-O 3.43Å; G170-C231 VanDerWaalsContact CA-O 3.26Å; G170-C231 WeakPolarHBondContact CA-O 3.37Å; G170-P233 WeakPolarHBondContact O-CD 3.37Å | ||
| 171 | L | 96.1 | Very high | 95.6 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -83.2 | 6 | -174.4 | -58.4 | 173.2 | 0 | 0 | 0 | 113.6 | L169 L173 V178 Q182 V184 | L169-L171 HydrophobicContact CB-CD1 3.83Å; L169-L171 HydrophobicContact CB-CG 3.83Å; L169-L171 HydrophobicContact CD1-CD1 3.91Å; L169-L171 PolarHBondContact O-N 3.47Å; L171-L173 PolarHBondContact O-N 3.19Å; L171-V178 HydrophobicContact CD1-CG2 4.11Å; L171-Q182 HydrophobicContact CD1-CB 4.05Å; L171-Q182 HydrophobicContact CD2-CB 3.9Å; L171-V184 HydrophobicContact CD2-CG2 4.29Å |
| 172 | G | 94.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 77.2 | 3.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G170 C231 F232 | G170-G172 VanDerWaalsContact C-N 3.25Å; G170-G172 PolarHBondContact O-N 3.19Å; G172-C231 WeakPolarHBondContact CA-O 3.46Å; G172-C231 PolarHBondContact N-O 3.21Å; G172-F232 VanDerWaalsContact CA-CE2 3.46Å |
| 173 | L | 91.3 | Very high | 95.4 | Very high | 118 Ų | 118 | 44.7 Ų | 44.7 | 62% | 0.618 | 24% | 0.242 | S | C | * | . | trans | -117.5 | 155.8 | -180 | -58.7 | 172.2 | 0 | 0 | 0 | 109.8 | N164 L171 | N164-L173 PolarHBondContact ND2-O 3.22Å; L171-L173 PolarHBondContact O-N 3.19Å | ||
| 174 | T | 91 | Very high | 95.4 | Very high | 94 Ų | 94 | 44.7 Ų | 44.7 | 58% | 0.577 | 24% | 0.242 | S | C | * | . | trans | -127 | 155.3 | 168.5 | 57.7 | 0 | 0 | 0 | 0 | 110 | N164 C231 | N164-T174 CarbonylContact O-C 3.59Å; N164-T174 WeakPolarHBondContact O-CA 3.42Å; T174-C231 HydrophobicContact CG2-CB 3.67Å | ||
| 175 | G | 89.8 | Confident | 95.2 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 103.7 | -79 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N164 S177 | N164-G175 PolarHBondContact O-N 3.29Å; G175-S177 PolarHBondContact O-N 2.87Å |
| 176 | Q | 90.4 | Very high | 95 | Very high | 169 Ų | 169 | 44.4 Ų | 44.4 | 79% | 0.79 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 130.5 | -171.1 | -71.3 | -172.2 | -8.9 | 0 | 0 | 112.8 | N164 | N164-Q176 VanDerWaalsContact CB-O 3.22Å; N164-Q176 WeakPolarHBondContact CB-O 3.35Å |
| 177 | S | 95.5 | Very high | 94.8 | Very high | 35 Ų | 35 | 41.2 Ų | 41.2 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 148.7 | 170.5 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | D113 G162 G175 | D113-S177 VanDerWaalsContact O-CB 3.31Å; D113-S177 WeakPolarHBondContact O-CB 3.34Å; G162-S177 CarbonylContact O-C 3.5Å; G162-S177 VanDerWaalsContact O-CA 3.3Å; G162-S177 WeakPolarHBondContact O-CA 3.47Å; G175-S177 PolarHBondContact O-N 2.87Å |
| 178 | V | 96.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 116.4 | -175.6 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | G162 L169 L171 T180 Q182 | G162-V178 WeakPolarHBondContact CA-O 3.43Å; G162-V178 PolarHBondContact N-O 3.35Å; G162-V178 PolarHBondContact O-N 3.22Å; L169-V178 HydrophobicContact CD1-CB 3.74Å; L169-V178 HydrophobicContact CD1-CG2 3.65Å; L171-V178 HydrophobicContact CD1-CG2 4.11Å; V178-T180 WeakPolarHBondContact CG1-O 3.43Å; V178-Q182 HydrophobicContact CG1-CG 3.88Å |
| 179 | S | 95.2 | Very high | 94.3 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -0.2 | -177.1 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | G117 L118 N119 N120 | G117-S179 CarbonylContact C-O 3.05Å; G117-S179 WeakPolarHBondContact CA-O 3.49Å; L118-S179 PolarHBondContact N-O 3.48Å; N119-S179 PolarHBondContact N-O 3.26Å; N120-S179 VanDerWaalsContact O-CB 3.28Å; N120-S179 WeakPolarHBondContact O-CB 3.32Å |
| 180 | T | 95.9 | Very high | 94.1 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 24% | 0.239 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130 | 177.7 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | N119 V178 Q182 | N119-T180 HydrophobicContact CB-CG2 3.66Å; N119-T180 WeakPolarHBondContact OD1-CG2 3.41Å; V178-T180 WeakPolarHBondContact CG1-O 3.43Å; T180-Q182 WeakPolarHBondContact O-CG 3.45Å; T180-Q182 PolarHBondContact O-N 2.86Å; T180-Q182 VanDerWaalsContact O-N 3.17Å |
| 181 | P | 97.5 | Very high | 94 | Very high | 18 Ų | 18 | 45.9 Ų | 45.9 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -44.8 | 120.5 | 172.1 | -28.6 | 33.5 | 0 | 0 | 0 | 112.9 | I131 S133 L134 F159 W161 | I131-P181 HydrophobicContact CG2-CG 3.75Å; S133-P181 VanDerWaalsContact OG-CD 3.31Å; S133-P181 WeakPolarHBondContact OG-CD 3.21Å; L134-P181 HydrophobicContact CD1-CB 4.05Å; L134-P181 HydrophobicContact CD1-CG 3.79Å; L134-P181 HydrophobicContact CD2-CB 3.8Å; L134-P181 HydrophobicContact CD2-CG 4.3Å; L134-P181 HydrophobicContact CG-CB 3.91Å; L134-P181 HydrophobicContact CG-CG 3.83Å; F159-P181 HydrophobicContact CB-CB 4.25Å; F159-P181 HydrophobicContact CD1-CB 4.43Å; W161-P181 HydrophobicContact CD2-CB 4.12Å; W161-P181 HydrophobicContact CD2-CG 3.74Å; W161-P181 HydrophobicContact CE3-CB 3.59Å; W161-P181 HydrophobicContact CE3-CG 3.67Å; W161-P181 HydrophobicContact CG-CG 4.2Å; W161-P181 HydrophobicContact CZ3-CB 4.03Å; W161-P181 HydrophobicContact CZ3-CG 4.1Å |
| 182 | Q | 96.8 | Very high | 93.9 | Very high | 80 Ų | 80 | 44.3 Ų | 44.3 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.3 | 175.6 | -69.8 | -170.4 | 17.1 | 0 | 0 | 110.8 | F159 S160 L171 V178 T180 | F159-Q182 CarbonylContact C-O 3.15Å; F159-Q182 VanDerWaalsContact CA-O 3.26Å; F159-Q182 WeakPolarHBondContact CA-O 3.29Å; S160-Q182 PolarHBondContact N-O 2.97Å; S160-Q182 PolarHBondContact O-N 3.15Å; L171-Q182 HydrophobicContact CD1-CB 4.05Å; L171-Q182 HydrophobicContact CD2-CB 3.9Å; V178-Q182 HydrophobicContact CG1-CG 3.88Å; T180-Q182 WeakPolarHBondContact O-CG 3.45Å; T180-Q182 PolarHBondContact O-N 2.86Å; T180-Q182 VanDerWaalsContact O-N 3.17Å |
| 183 | A | 95.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 20% | 0.198 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 132.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I158 F159 Q185 | I158-A183 CarbonylContact O-C 3.54Å; I158-A183 WeakPolarHBondContact O-CA 3.49Å; F159-A183 HydrophobicContact CD1-CB 4.13Å; F159-A183 HydrophobicContact CE1-CB 3.92Å; A183-Q185 PolarHBondContact O-N 2.98Å |
| 184 | V | 96.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | trans | -80.4 | 85.2 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | I158 L171 S186 L187 P233 | I158-V184 HydrophobicContact CB-CB 4.42Å; I158-V184 HydrophobicContact CB-CG2 4.49Å; I158-V184 HydrophobicContact CG2-CB 4.48Å; I158-V184 HydrophobicContact CG2-CG2 4.06Å; I158-V184 PolarHBondContact O-N 2.96Å; L171-V184 HydrophobicContact CD2-CG2 4.29Å; V184-S186 WeakPolarHBondContact CG1-OG 3.34Å; V184-S186 PolarHBondContact O-N 3.05Å; V184-S186 VanDerWaalsContact O-N 3.16Å; V184-L187 HydrophobicContact CG1-CD1 4.11Å; V184-L187 HydrophobicContact CG1-CG 4.2Å; V184-L187 PolarHBondContact O-N 3.02Å; V184-P233 HydrophobicContact CG1-CG 3.74Å | ||
| 185 | Q | 93.1 | Very high | 94.4 | Very high | 112 Ų | 112 | 35.7 Ų | 35.7 | 52% | 0.523 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -62.3 | -25.2 | -172.1 | -56.3 | -60.7 | -6.2 | 0 | 0 | 114 | A183 L187 Q188 | A183-Q185 PolarHBondContact O-N 2.98Å; Q185-L187 PolarHBondContact O-N 3.32Å; Q185-L187 VanDerWaalsContact O-N 3.16Å; Q185-Q188 WeakPolarHBondContact O-CG 3.29Å; Q185-Q188 PolarHBondContact O-N 3.12Å |
| 186 | S | 92.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -69.6 | -4.4 | 178.8 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | V184 P233 P497 | V184-S186 WeakPolarHBondContact CG1-OG 3.34Å; V184-S186 PolarHBondContact O-N 3.05Å; V184-S186 VanDerWaalsContact O-N 3.16Å; S186-P233 WeakPolarHBondContact OG-CD 3.43Å; S186-P497 WeakPolarHBondContact O-CB 3.46Å; S186-P497 WeakPolarHBondContact O-CG 3.32Å |
| 187 | L | 93.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -118.2 | 14.2 | 178.3 | -68.6 | 178.9 | 0 | 0 | 0 | 113.3 | I158 V184 Q185 I190 F192 A204 F212 W214 P233 | I158-L187 HydrophobicContact CD1-CD1 3.71Å; V184-L187 HydrophobicContact CG1-CD1 4.11Å; V184-L187 HydrophobicContact CG1-CG 4.2Å; V184-L187 PolarHBondContact O-N 3.02Å; Q185-L187 PolarHBondContact O-N 3.32Å; Q185-L187 VanDerWaalsContact O-N 3.16Å; L187-I190 HydrophobicContact CD2-CD1 4.11Å; L187-F192 HydrophobicContact CB-CE2 3.92Å; L187-F192 HydrophobicContact CB-CZ 3.78Å; L187-F192 HydrophobicContact CD1-CZ 3.95Å; L187-F192 HydrophobicContact CD2-CZ 4.03Å; L187-F192 HydrophobicContact CG-CZ 4.13Å; L187-A204 HydrophobicContact CD1-CB 4.47Å; L187-F212 HydrophobicContact CD2-CB 4.41Å; L187-F212 HydrophobicContact CD2-CD1 3.82Å; L187-F212 HydrophobicContact CD2-CE1 4.22Å; L187-F212 HydrophobicContact CD2-CG 4.01Å; L187-W214 HydrophobicContact CD1-CH2 4.07Å; L187-W214 HydrophobicContact CD1-CZ3 4.01Å; L187-P233 HydrophobicContact CD1-CB 3.76Å; L187-P233 HydrophobicContact CD1-CG 3.65Å; L187-P233 HydrophobicContact CD2-CB 3.56Å; L187-P233 HydrophobicContact CD2-CG 4.16Å; L187-P233 HydrophobicContact CG-CB 3.73Å; L187-P233 HydrophobicContact CG-CG 3.73Å |
| 188 | Q | 90.3 | Very high | 95.1 | Very high | 77 Ų | 77 | 25.5 Ų | 25.5 | 36% | 0.36 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 149.5 | 178.4 | -77 | -172.3 | -13.8 | 0 | 0 | 112.7 | Q185 I190 P497 | Q185-Q188 WeakPolarHBondContact O-CG 3.29Å; Q185-Q188 PolarHBondContact O-N 3.12Å; Q188-I190 PolarHBondContact O-N 3.45Å; Q188-I190 VanDerWaalsContact O-N 3.15Å; Q188-P497 VanDerWaalsContact O-CG 3.31Å; Q188-P497 WeakPolarHBondContact O-CG 3.48Å |
| 189 | A | 92.5 | Very high | 95.1 | Very high | 21 Ų | 21 | 24.7 Ų | 24.7 | 17% | 0.174 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 1.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A431 C432 N435 A501 | A189-A431 HydrophobicContact CB-CB 3.48Å; A189-A431 VanDerWaalsContact CB-CB 3.48Å; A189-C432 VanDerWaalsContact C-SG 3.56Å; A189-C432 WeakPolarHBondContact CA-SG 3.36Å; A189-C432 PolarHBondContact N-SG 3.35Å; A189-C432 VanDerWaalsContact N-SG 3.37Å; A189-N435 PolarHBondContact O-ND2 3.33Å; A189-A501 HydrophobicContact CB-CB 3.76Å |
| 190 | I | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -89.2 | 129.7 | 175.5 | -60.2 | 172.9 | 0 | 0 | 0 | 109.8 | L187 Q188 F192 T206 F212 C432 P497 D498 A501 | L187-I190 HydrophobicContact CD2-CD1 4.11Å; Q188-I190 PolarHBondContact O-N 3.45Å; Q188-I190 VanDerWaalsContact O-N 3.15Å; I190-F192 HydrophobicContact CB-CE1 4.43Å; I190-F192 HydrophobicContact CB-CE2 3.73Å; I190-F192 HydrophobicContact CB-CZ 3.66Å; I190-F192 HydrophobicContact CD1-CZ 4.33Å; I190-F192 HydrophobicContact CG2-CD1 4.43Å; I190-F192 HydrophobicContact CG2-CE1 3.83Å; I190-F192 HydrophobicContact CG2-CE2 3.97Å; I190-F192 HydrophobicContact CG2-CZ 3.55Å; I190-F192 WeakPolarHBondContact O-CD2 3.49Å; I190-F192 WeakPolarHBondContact O-CE2 3.26Å; I190-F192 PolarHBondContact O-N 2.91Å; I190-T206 HydrophobicContact CG2-CG2 3.32Å; I190-F212 HydrophobicContact CD1-CE1 4.36Å; I190-F212 HydrophobicContact CD1-CE2 4.23Å; I190-F212 HydrophobicContact CD1-CZ 3.84Å; I190-F212 HydrophobicContact CG2-CE2 4.49Å; I190-C432 PolarHBondContact O-SG 3.01Å; I190-P497 HydrophobicContact CD1-CB 4.3Å; I190-P497 HydrophobicContact CD1-CG 3.84Å; I190-P497 HydrophobicContact CG1-CG 4.18Å; I190-D498 HydrophobicContact CD1-CB 3.7Å; I190-D498 HydrophobicContact CG1-CB 4.25Å; I190-A501 HydrophobicContact CG1-CB 4.49Å | ||
| 191 | P | 94.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -79.6 | 110.2 | 178.4 | 30.3 | -33 | 0 | 0 | 0 | 111.8 | T206 L207 N435 | P191-T206 CarbonylContact O-C 3.53Å; P191-T206 VanDerWaalsContact O-CA 3.23Å; P191-T206 WeakPolarHBondContact O-CA 3.48Å; P191-T206 WeakPolarHBondContact O-CB 3.16Å; P191-L207 HydrophobicContact CB-CD1 3.89Å; P191-L207 HydrophobicContact CB-CG 4.24Å; P191-L207 PolarHBondContact O-N 2.82Å; P191-N435 HydrophobicContact CG-CB 4.15Å | ||
| 192 | F | 95.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.9 | -178.1 | -66.5 | -73.5 | 0 | 0 | 0 | 114.1 | L152 I158 L187 I190 A204 L205 T206 F212 V397 | L152-F192 HydrophobicContact CD1-CB 4.05Å; L152-F192 HydrophobicContact CD2-CB 4.14Å; I158-F192 HydrophobicContact CD1-CD1 4.26Å; I158-F192 HydrophobicContact CD1-CD2 3.64Å; I158-F192 HydrophobicContact CD1-CE1 4.21Å; I158-F192 HydrophobicContact CD1-CE2 3.59Å; I158-F192 HydrophobicContact CD1-CG 3.99Å; I158-F192 HydrophobicContact CD1-CZ 3.9Å; I158-F192 HydrophobicContact CG1-CD2 4.16Å; I158-F192 HydrophobicContact CG1-CE2 4.37Å; L187-F192 HydrophobicContact CB-CE2 3.92Å; L187-F192 HydrophobicContact CB-CZ 3.78Å; L187-F192 HydrophobicContact CD1-CZ 3.95Å; L187-F192 HydrophobicContact CD2-CZ 4.03Å; L187-F192 HydrophobicContact CG-CZ 4.13Å; I190-F192 HydrophobicContact CB-CE1 4.43Å; I190-F192 HydrophobicContact CB-CE2 3.73Å; I190-F192 HydrophobicContact CB-CZ 3.66Å; I190-F192 HydrophobicContact CD1-CZ 4.33Å; I190-F192 HydrophobicContact CG2-CD1 4.43Å; I190-F192 HydrophobicContact CG2-CE1 3.83Å; I190-F192 HydrophobicContact CG2-CE2 3.97Å; I190-F192 HydrophobicContact CG2-CZ 3.55Å; I190-F192 WeakPolarHBondContact O-CD2 3.49Å; I190-F192 WeakPolarHBondContact O-CE2 3.26Å; I190-F192 PolarHBondContact O-N 2.91Å; F192-A204 HydrophobicContact CD1-CB 3.63Å; F192-A204 HydrophobicContact CE1-CB 3.54Å; F192-A204 HydrophobicContact CZ-CB 4.37Å; F192-L205 CarbonylContact C-O 3.52Å; F192-L205 WeakPolarHBondContact CA-O 3.29Å; F192-T206 HydrophobicContact CD1-CG2 4.16Å; F192-T206 HydrophobicContact CE1-CG2 3.95Å; F192-F212 HydrophobicContact CE1-CD2 4.19Å; F192-V397 VanDerWaalsContact O-CG2 3.24Å; F192-V397 WeakPolarHBondContact O-CG2 3.37Å |
| 193 | A | 93.4 | Very high | 95.5 | Very high | 26 Ų | 26 | 17.7 Ų | 17.7 | 22% | 0.215 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L205 L207 | A193-L205 HydrophobicContact CB-CG 4.34Å; A193-L205 PolarHBondContact N-O 3.41Å; A193-L207 HydrophobicContact CB-CD2 3.83Å |
| 194 | Q | 95.1 | Very high | 95.6 | Very high | 21 Ų | 21 | 16.5 Ų | 16.5 | 10% | 0.098 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 141.9 | -170.7 | -169.4 | -165.6 | 2.7 | 0 | 0 | 112 | A204 L205 Y246 V247 | Q194-A204 WeakPolarHBondContact O-CA 3.3Å; Q194-L205 HydrophobicContact CB-CB 4.16Å; Q194-L205 HydrophobicContact CB-CD2 4.29Å; Q194-L205 PolarHBondContact N-O 3.34Å; Q194-L205 PolarHBondContact O-N 3.44Å; Q194-Y246 VanDerWaalsContact OE1-CD2 3.25Å; Q194-V247 PolarHBondContact NE2-O 3.44Å |
| 195 | L | 97.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 144.3 | 160 | -60.8 | -177.4 | 0 | 0 | 0 | 111.6 | Q141 A143 L150 L152 I158 F203 A204 | Q141-L195 PolarHBondContact NE2-O 3.22Å; A143-L195 HydrophobicContact CB-CB 4.16Å; L150-L195 HydrophobicContact CB-CD1 3.95Å; L152-L195 HydrophobicContact CB-CD1 3.66Å; L152-L195 HydrophobicContact CB-CG 4.01Å; I158-L195 HydrophobicContact CD1-CD2 3.71Å; I158-L195 HydrophobicContact CG1-CD2 3.98Å; I158-L195 HydrophobicContact CG2-CD1 4.19Å; I158-L195 HydrophobicContact CG2-CD2 4.24Å; L195-F203 WeakPolarHBondContact CA-O 3.4Å; L195-A204 HydrophobicContact CD2-CB 3.73Å |
| 196 | A | 97.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 11.1 Ų | 11.1 | 7% | 0.074 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.5 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | F203 V247 | A196-F203 HydrophobicContact CB-CB 4.3Å; A196-F203 PolarHBondContact N-O 2.62Å; A196-F203 PolarHBondContact O-N 3.4Å; A196-V247 HydrophobicContact CB-CB 4.28Å; A196-V247 HydrophobicContact CB-CG1 4.1Å |
| 197 | A | 97.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 11 Ų | 11 | 14% | 0.14 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A143 C144 L150 | A143-A197 HydrophobicContact CB-CB 4.4Å; C144-A197 VanDerWaalsContact C-CB 3.45Å; L150-A197 HydrophobicContact CD1-CB 4.12Å |
| 198 | G | 96.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 10.9 Ų | 10.9 | 4% | 0.041 | 7% | 0.067 | C | C | . | . | trans | -98.5 | -160.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G145 A200 H201 C249 G250 | G145-G198 WeakPolarHBondContact CA-O 3.27Å; G198-A200 PolarHBondContact O-N 2.88Å; G198-H201 PolarHBondContact N-O 3.13Å; G198-C249 VanDerWaalsContact CA-CB 3.44Å; G198-C249 VanDerWaalsContact N-CB 3.35Å; G198-G250 CarbonylContact C-O 3.17Å; G198-G250 WeakPolarHBondContact CA-O 3.46Å | ||
| 199 | G | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -55 | -57.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | F146 G250 E251 | F146-G199 WeakPolarHBondContact CB-O 3.22Å; F146-G199 PolarHBondContact N-O 3.19Å; G199-G250 PolarHBondContact N-O 2.89Å; G199-G250 VanDerWaalsContact N-O 3.13Å; G199-E251 WeakPolarHBondContact CA-O 3.49Å; G199-E251 PolarHBondContact N-O 3.03Å; G199-E251 VanDerWaalsContact N-O 3.09Å |
| 200 | A | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 6.4 Ų | 6.4 | 3% | 0.025 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -136.1 | 31.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y166 Q168 G198 R216 | Y166-A200 HydrophobicContact CD2-CB 3.77Å; Y166-A200 HydrophobicContact CE2-CB 4.2Å; Q168-A200 WeakPolarHBondContact CB-O 3.45Å; G198-A200 PolarHBondContact O-N 2.88Å; A200-R216 HydrophobicContact CB-CB 3.96Å; A200-R216 VanDerWaalsContact O-CB 3.29Å; A200-R216 WeakPolarHBondContact O-CB 3.46Å; A200-R216 PolarHBondContact O-N 3.36Å |
| 201 | H | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 163.4 | 178.3 | 67.7 | -87.7 | 0 | 0 | 0 | 110.3 | G198 F203 W214 L222 T254 | G198-H201 PolarHBondContact N-O 3.13Å; H201-F203 AromaticContact CD2-CD2 3.72Å; H201-F203 AromaticContact CD2-CE2 3.47Å; H201-F203 VanDerWaalsContact CD2-CE2 3.47Å; H201-F203 WeakPolarHBondContact CD2-CE2 3.37Å; H201-F203 AromaticContact NE2-CE2 3.93Å; H201-W214 CarbonylContact C-O 3.51Å; H201-W214 VanDerWaalsContact CA-O 3.3Å; H201-W214 WeakPolarHBondContact CA-O 3.24Å; H201-W214 WeakPolarHBondContact CB-O 3.44Å; H201-L222 HydrophobicContact CB-CD2 3.95Å; H201-T254 PolarHBondContact NE2-OG1 3.49Å |
| 202 | S | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148.4 | -170 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | H148 Q168 G213 W214 | H148-S202 PolarHBondContact NE2-OG 3.12Å; Q168-S202 PolarHBondContact O-OG 3.09Å; S202-G213 WeakPolarHBondContact O-CA 3.37Å; S202-W214 VanDerWaalsContact CB-NE1 3.34Å; S202-W214 PolarHBondContact N-O 3.45Å; S202-W214 PolarHBondContact O-N 2.91Å |
| 203 | F | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 0% | 0.004 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.9 | 178.6 | -81.9 | -85.4 | 0 | 0 | 0 | 111.9 | L195 A196 H201 V211 F212 L222 L236 V247 C249 T254 F266 | L195-F203 WeakPolarHBondContact CA-O 3.4Å; A196-F203 HydrophobicContact CB-CB 4.3Å; A196-F203 PolarHBondContact N-O 2.62Å; A196-F203 PolarHBondContact O-N 3.4Å; H201-F203 AromaticContact CD2-CD2 3.72Å; H201-F203 AromaticContact CD2-CE2 3.47Å; H201-F203 VanDerWaalsContact CD2-CE2 3.47Å; H201-F203 WeakPolarHBondContact CD2-CE2 3.37Å; H201-F203 AromaticContact NE2-CE2 3.93Å; F203-V211 HydrophobicContact CD1-CG1 3.45Å; F203-V211 VanDerWaalsContact CD1-CG1 3.45Å; F203-V211 HydrophobicContact CE1-CG1 3.76Å; F203-F212 CarbonylContact C-O 3.54Å; F203-F212 WeakPolarHBondContact CA-O 3.19Å; F203-F212 WeakPolarHBondContact CD1-O 3.32Å; F203-L222 HydrophobicContact CE2-CD2 4.26Å; F203-L222 HydrophobicContact CZ-CD2 4.21Å; F203-L236 HydrophobicContact CE1-CD1 3.81Å; F203-L236 HydrophobicContact CE1-CD2 3.81Å; F203-L236 HydrophobicContact CE1-CG 4.47Å; F203-L236 HydrophobicContact CZ-CD2 4.41Å; F203-V247 HydrophobicContact CB-CG1 4.04Å; F203-V247 HydrophobicContact CD2-CG1 4.5Å; F203-V247 HydrophobicContact CG-CG1 4.14Å; F203-C249 VanDerWaalsContact CD2-SG 3.52Å; F203-T254 HydrophobicContact CD2-CG2 4.2Å; F203-T254 HydrophobicContact CE2-CG2 3.74Å; F203-T254 VanDerWaalsContact CE2-OG1 3.31Å; F203-T254 WeakPolarHBondContact CE2-OG1 3.35Å; F203-T254 HydrophobicContact CZ-CG2 3.98Å; F203-F266 HydrophobicContact CE1-CZ 4.5Å; F203-F266 AromaticContact CZ-CE2 3.91Å; F203-F266 HydrophobicContact CZ-CE2 3.91Å; F203-F266 HydrophobicContact CZ-CZ 4.15Å |
| 204 | A | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I158 L187 F192 Q194 L195 F212 W214 | I158-A204 HydrophobicContact CD1-CB 3.83Å; L187-A204 HydrophobicContact CD1-CB 4.47Å; F192-A204 HydrophobicContact CD1-CB 3.63Å; F192-A204 HydrophobicContact CE1-CB 3.54Å; F192-A204 HydrophobicContact CZ-CB 4.37Å; Q194-A204 WeakPolarHBondContact O-CA 3.3Å; L195-A204 HydrophobicContact CD2-CB 3.73Å; A204-F212 PolarHBondContact N-O 3.46Å; A204-F212 PolarHBondContact O-N 3.04Å; A204-W214 HydrophobicContact CB-CH2 3.9Å; A204-W214 HydrophobicContact CB-CZ3 3.93Å |
| 205 | L | 97.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 4.5 Ų | 4.5 | 1% | 0.01 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.3 | 178.2 | 172.5 | 64.1 | 0 | 0 | 0 | 109.3 | F192 A193 Q194 A210 V211 V244 I245 V247 | F192-L205 CarbonylContact C-O 3.52Å; F192-L205 WeakPolarHBondContact CA-O 3.29Å; A193-L205 HydrophobicContact CB-CG 4.34Å; A193-L205 PolarHBondContact N-O 3.41Å; Q194-L205 HydrophobicContact CB-CB 4.16Å; Q194-L205 HydrophobicContact CB-CD2 4.29Å; Q194-L205 PolarHBondContact N-O 3.34Å; Q194-L205 PolarHBondContact O-N 3.44Å; L205-A210 WeakPolarHBondContact CA-O 3.23Å; L205-V211 HydrophobicContact CD1-CG2 3.88Å; L205-V244 HydrophobicContact CD1-CB 4.02Å; L205-V244 HydrophobicContact CD1-CG1 3.61Å; L205-V244 HydrophobicContact CD2-CG1 4.33Å; L205-I245 WeakPolarHBondContact CD2-O 3.41Å; L205-V247 HydrophobicContact CB-CG2 4.3Å |
| 206 | T | 95.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 6.7 Ų | 6.7 | 1% | 0.012 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 159.2 | 175 | 75.2 | 0 | 0 | 0 | 0 | 111.7 | I190 P191 F192 S208 G209 A210 F212 E500 | I190-T206 HydrophobicContact CG2-CG2 3.32Å; P191-T206 CarbonylContact O-C 3.53Å; P191-T206 VanDerWaalsContact O-CA 3.23Å; P191-T206 WeakPolarHBondContact O-CA 3.48Å; P191-T206 WeakPolarHBondContact O-CB 3.16Å; F192-T206 HydrophobicContact CD1-CG2 4.16Å; F192-T206 HydrophobicContact CE1-CG2 3.95Å; T206-S208 PolarHBondContact O-N 2.73Å; T206-S208 VanDerWaalsContact O-N 3.12Å; T206-S208 PolarHBondContact OG1-N 3.45Å; T206-G209 PolarHBondContact O-N 3.38Å; T206-G209 PolarHBondContact OG1-N 2.83Å; T206-A210 HydrophobicContact CG2-CB 3.91Å; T206-A210 PolarHBondContact N-O 3.03Å; T206-A210 WeakPolarHBondContact OG1-CB 3.3Å; T206-A210 PolarHBondContact OG1-N 3.14Å; T206-F212 HydrophobicContact CG2-CD2 4.1Å; T206-F212 HydrophobicContact CG2-CE2 3.65Å; T206-E500 WeakPolarHBondContact CB-OE2 3.46Å; T206-E500 PolarHBondContact OG1-OE1 2.75Å; T206-E500 PolarHBondContact OG1-OE2 3.13Å |
| 207 | L | 93.2 | Very high | 96.9 | Very high | 36 Ų | 36 | 6.3 Ų | 6.3 | 19% | 0.188 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.4 | 170.7 | -68.4 | 178.2 | 0 | 0 | 0 | 111.9 | P191 A193 T399 L439 H446 | P191-L207 HydrophobicContact CB-CD1 3.89Å; P191-L207 HydrophobicContact CB-CG 4.24Å; P191-L207 PolarHBondContact O-N 2.82Å; A193-L207 HydrophobicContact CB-CD2 3.83Å; L207-T399 HydrophobicContact CD1-CG2 4.36Å; L207-L439 HydrophobicContact CB-CD1 3.69Å; L207-L439 HydrophobicContact CD1-CD1 4Å; L207-H446 PolarHBondContact O-CE1 3.12Å; L207-H446 PolarHBondContact O-ND1 3.45Å |
| 208 | S | 93.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 3% | 0.028 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 5.8 | 179.4 | -35.2 | 0 | 0 | 0 | 0 | 114.3 | T206 H446 F447 E500 R503 | T206-S208 PolarHBondContact O-N 2.73Å; T206-S208 VanDerWaalsContact O-N 3.12Å; T206-S208 PolarHBondContact OG1-N 3.45Å; S208-H446 WeakPolarHBondContact CB-O 3.41Å; S208-F447 VanDerWaalsContact C-CD1 3.49Å; S208-F447 WeakPolarHBondContact O-CA 3.47Å; S208-F447 VanDerWaalsContact O-CD1 3.23Å; S208-F447 WeakPolarHBondContact O-CD1 3.48Å; S208-E500 WeakPolarHBondContact CB-OE1 3.44Å; S208-E500 WeakPolarHBondContact CB-OE2 3.43Å; S208-E500 VanDerWaalsContact OG-CD 3.22Å; S208-E500 PolarHBondContact OG-OE2 3.23Å; S208-R503 PolarHBondContact OG-NH1 2.94Å; S208-R503 PolarHBondContact OG-NH2 3.28Å |
| 209 | G | 93.6 | Very high | 97 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | S | Bend | trans | 80.6 | 11.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T206 V244 | T206-G209 PolarHBondContact O-N 3.38Å; T206-G209 PolarHBondContact OG1-N 2.83Å; G209-V244 VanDerWaalsContact CA-O 3.25Å; G209-V244 WeakPolarHBondContact CA-O 3.4Å |
| 210 | A | 95.1 | Very high | 97 | Very high | 2 Ų | 2 | 14 Ų | 14 | 2% | 0.017 | 6% | 0.063 | C | C | . | . | trans | -76 | 138.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L205 T206 F212 L235 E500 | L205-A210 WeakPolarHBondContact CA-O 3.23Å; T206-A210 HydrophobicContact CG2-CB 3.91Å; T206-A210 PolarHBondContact N-O 3.03Å; T206-A210 WeakPolarHBondContact OG1-CB 3.3Å; T206-A210 PolarHBondContact OG1-N 3.14Å; A210-F212 HydrophobicContact CB-CE2 4.12Å; A210-L235 HydrophobicContact CB-CD1 3.99Å; A210-E500 VanDerWaalsContact CB-OE1 3.27Å; A210-E500 WeakPolarHBondContact CB-OE1 3.34Å | ||
| 211 | V | 96.9 | Very high | 97 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125 | -176.3 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | F203 L205 L236 V244 V247 | F203-V211 HydrophobicContact CD1-CG1 3.45Å; F203-V211 VanDerWaalsContact CD1-CG1 3.45Å; F203-V211 HydrophobicContact CE1-CG1 3.76Å; L205-V211 HydrophobicContact CD1-CG2 3.88Å; V211-L236 HydrophobicContact CB-CB 4.36Å; V211-L236 HydrophobicContact CG1-CD1 4.43Å; V211-L236 HydrophobicContact CG1-CD2 4.08Å; V211-L236 PolarHBondContact O-N 2.94Å; V211-V244 HydrophobicContact CG2-CB 4.11Å; V211-V244 HydrophobicContact CG2-CG1 3.86Å; V211-V244 HydrophobicContact CG2-CG2 4.13Å; V211-V247 HydrophobicContact CG1-CG2 4.32Å; V211-V247 HydrophobicContact CG2-CG2 4.32Å |
| 212 | F | 97.7 | Very high | 97 | Very high | 7 Ų | 7 | 13.8 Ų | 13.8 | 3% | 0.031 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.1 | 174.9 | -66.2 | -96.6 | 0 | 0 | 0 | 109.3 | L187 I190 F192 F203 A204 T206 A210 W214 P233 T234 L235 D498 | L187-F212 HydrophobicContact CD2-CB 4.41Å; L187-F212 HydrophobicContact CD2-CD1 3.82Å; L187-F212 HydrophobicContact CD2-CE1 4.22Å; L187-F212 HydrophobicContact CD2-CG 4.01Å; I190-F212 HydrophobicContact CD1-CE1 4.36Å; I190-F212 HydrophobicContact CD1-CE2 4.23Å; I190-F212 HydrophobicContact CD1-CZ 3.84Å; I190-F212 HydrophobicContact CG2-CE2 4.49Å; F192-F212 HydrophobicContact CE1-CD2 4.19Å; F203-F212 CarbonylContact C-O 3.54Å; F203-F212 WeakPolarHBondContact CA-O 3.19Å; F203-F212 WeakPolarHBondContact CD1-O 3.32Å; A204-F212 PolarHBondContact N-O 3.46Å; A204-F212 PolarHBondContact O-N 3.04Å; T206-F212 HydrophobicContact CG2-CD2 4.1Å; T206-F212 HydrophobicContact CG2-CE2 3.65Å; A210-F212 HydrophobicContact CB-CE2 4.12Å; F212-W214 HydrophobicContact CB-CZ3 4.26Å; F212-W214 WeakPolarHBondContact O-CZ3 3.32Å; F212-P233 HydrophobicContact CB-CB 4.39Å; F212-T234 CarbonylContact C-O 3.16Å; F212-T234 WeakPolarHBondContact CA-O 3.34Å; F212-L235 HydrophobicContact CD1-CB 4.13Å; F212-L235 HydrophobicContact CE1-CB 3.83Å; F212-L235 HydrophobicContact CE1-CD1 4.11Å; F212-L235 HydrophobicContact CE2-CD1 4.13Å; F212-L235 HydrophobicContact CZ-CB 4.42Å; F212-L235 HydrophobicContact CZ-CD1 3.85Å; F212-D498 HydrophobicContact CE1-CB 4.48Å; F212-D498 HydrophobicContact CZ-CB 3.87Å |
| 213 | G | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S202 T234 | S202-G213 WeakPolarHBondContact O-CA 3.37Å; G213-T234 PolarHBondContact N-O 3.17Å; G213-T234 PolarHBondContact O-N 3.15Å |
| 214 | W | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 166.6 | 174.1 | 62.6 | 95.2 | 0 | 0 | 0 | 112.6 | Q168 L187 H201 S202 A204 F212 R230 P233 | Q168-W214 VanDerWaalsContact O-CD1 3.28Å; Q168-W214 PolarHBondContact O-NE1 2.84Å; L187-W214 HydrophobicContact CD1-CH2 4.07Å; L187-W214 HydrophobicContact CD1-CZ3 4.01Å; H201-W214 CarbonylContact C-O 3.51Å; H201-W214 VanDerWaalsContact CA-O 3.3Å; H201-W214 WeakPolarHBondContact CA-O 3.24Å; H201-W214 WeakPolarHBondContact CB-O 3.44Å; S202-W214 VanDerWaalsContact CB-NE1 3.34Å; S202-W214 PolarHBondContact N-O 3.45Å; S202-W214 PolarHBondContact O-N 2.91Å; A204-W214 HydrophobicContact CB-CH2 3.9Å; A204-W214 HydrophobicContact CB-CZ3 3.93Å; F212-W214 HydrophobicContact CB-CZ3 4.26Å; F212-W214 WeakPolarHBondContact O-CZ3 3.32Å; W214-R230 HydrophobicContact CB-CB 4.47Å; W214-P233 HydrophobicContact CD2-CB 4.22Å; W214-P233 HydrophobicContact CD2-CG 3.87Å; W214-P233 HydrophobicContact CE3-CB 3.65Å; W214-P233 HydrophobicContact CE3-CG 3.76Å; W214-P233 HydrophobicContact CG-CG 4.33Å; W214-P233 HydrophobicContact CZ3-CB 4.09Å; W214-P233 HydrophobicContact CZ3-CG 4.17Å |
| 215 | G | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.7 | -147.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y166 D229 R230 | Y166-G215 CarbonylContact O-C 3.5Å; Y166-G215 VanDerWaalsContact O-C 3.31Å; Y166-G215 WeakPolarHBondContact O-CA 3.33Å; G215-D229 WeakPolarHBondContact O-CA 3.27Å; G215-R230 PolarHBondContact N-O 3.48Å; G215-R230 PolarHBondContact O-N 3.39Å |
| 216 | R | 98.2 | Very high | 96.6 | Very high | 50 Ų | 50 | 21.5 Ų | 21.5 | 19% | 0.189 | 10% | 0.104 | C | C | . | . | trans | -66.2 | 135.6 | -176 | -168.8 | 175.3 | 179.9 | -167.4 | -6.6 | 111.8 | Y166 A200 Q221 D229 D252 | Y166-R216 HydrophobicContact CD1-CB 4.42Å; Y166-R216 HydrophobicContact CD1-CG 4.16Å; Y166-R216 HydrophobicContact CD2-CB 4.26Å; Y166-R216 HydrophobicContact CD2-CG 4.49Å; Y166-R216 HydrophobicContact CG-CB 3.91Å; Y166-R216 HydrophobicContact CG-CG 4.12Å; A200-R216 HydrophobicContact CB-CB 3.96Å; A200-R216 VanDerWaalsContact O-CB 3.29Å; A200-R216 WeakPolarHBondContact O-CB 3.46Å; A200-R216 PolarHBondContact O-N 3.36Å; R216-Q221 WeakPolarHBondContact O-CG 3.26Å; R216-Q221 PolarHBondContact O-NE2 3.18Å; R216-D229 VanDerWaalsContact CA-OD1 3.3Å; R216-D229 WeakPolarHBondContact CA-OD1 3.4Å; R216-D252 IonicContact NH1-OD1 3.87Å | ||
| 217 | N | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -134.9 | 15.8 | -179.5 | -162.4 | 30.2 | 0 | 0 | 0 | 114.3 | F219 G220 Q221 L222 D226 T227 N228 D229 | N217-F219 PolarHBondContact O-N 2.99Å; N217-G220 PolarHBondContact O-N 2.75Å; N217-G220 WeakPolarHBondContact OD1-CA 3.44Å; N217-Q221 VanDerWaalsContact CA-OE1 3.22Å; N217-Q221 PolarHBondContact O-OE1 3.35Å; N217-Q221 PolarHBondContact OD1-N 3.06Å; N217-L222 HydrophobicContact CB-CB 4.3Å; N217-L222 HydrophobicContact CB-CD1 3.74Å; N217-L222 HydrophobicContact CB-CG 3.77Å; N217-L222 WeakPolarHBondContact OD1-CB 3.48Å; N217-L222 PolarHBondContact OD1-N 3.3Å; N217-D226 PolarHBondContact ND2-O 3.14Å; N217-D226 PolarHBondContact ND2-OD1 3.42Å; N217-T227 CarbonylContact C-O 3.59Å; N217-T227 CarbonylContact O-C 3.56Å; N217-T227 WeakPolarHBondContact O-CA 3.28Å; N217-N228 WeakPolarHBondContact CB-O 3.27Å; N217-N228 PolarHBondContact ND2-N 3.37Å; N217-N228 PolarHBondContact ND2-O 3.36Å; N217-D229 PolarHBondContact N-OD1 2.87Å | ||
| 218 | K | 97.6 | Very high | 96.9 | Very high | 132 Ų | 132 | 27.8 Ų | 27.8 | 57% | 0.574 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -31 | -176.1 | -174.6 | 173.5 | -178.4 | 176 | 0 | 115 | ||
| 219 | F | 97.8 | Very high | 97.1 | Very high | 52 Ų | 52 | 31.1 Ų | 31.1 | 23% | 0.228 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 8 | -179.7 | -57.5 | -68 | 0 | 0 | 0 | 113.2 | N217 D252 G267 A268 H281 | N217-F219 PolarHBondContact O-N 2.99Å; F219-D252 HydrophobicContact CD2-CB 3.84Å; F219-D252 HydrophobicContact CE2-CB 4.29Å; F219-G267 CarbonylContact O-C 3.22Å; F219-G267 VanDerWaalsContact O-C 3.26Å; F219-G267 VanDerWaalsContact O-CA 3.3Å; F219-G267 WeakPolarHBondContact O-CA 3.39Å; F219-A268 HydrophobicContact CB-CB 4.03Å; F219-A268 HydrophobicContact CD2-CB 4.22Å; F219-A268 HydrophobicContact CG-CB 4.12Å; F219-H281 AromaticContact CD1-CE1 3.55Å; F219-H281 AromaticContact CD1-ND1 3.87Å; F219-H281 AromaticContact CD1-NE2 3.68Å; F219-H281 AromaticContact CE1-CE1 3.98Å; F219-H281 AromaticContact CE1-NE2 3.98Å |
| 220 | G | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 83.6 | 16.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N217 L222 G223 | N217-G220 PolarHBondContact O-N 2.75Å; N217-G220 WeakPolarHBondContact OD1-CA 3.44Å; G220-L222 PolarHBondContact O-N 3.33Å; G220-L222 VanDerWaalsContact O-N 3.09Å; G220-G223 PolarHBondContact O-N 3.27Å |
| 221 | Q | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.1 | -176.9 | 61 | -100.5 | 64.4 | 0 | 0 | 114.5 | R216 N217 D252 T254 F266 | R216-Q221 WeakPolarHBondContact O-CG 3.26Å; R216-Q221 PolarHBondContact O-NE2 3.18Å; N217-Q221 VanDerWaalsContact CA-OE1 3.22Å; N217-Q221 PolarHBondContact O-OE1 3.35Å; N217-Q221 PolarHBondContact OD1-N 3.06Å; Q221-D252 WeakPolarHBondContact CB-O 3.21Å; Q221-D252 PolarHBondContact NE2-OD1 3.16Å; Q221-D252 VanDerWaalsContact NE2-OD1 3.16Å; Q221-T254 PolarHBondContact O-OG1 3.29Å; Q221-F266 WeakPolarHBondContact O-CD2 3.41Å; Q221-F266 WeakPolarHBondContact O-CE2 3.23Å |
| 222 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -14.9 | 170.4 | -58.7 | -172.4 | 0 | 0 | 0 | 113.2 | H201 F203 N217 G220 V224 R230 L236 | H201-L222 HydrophobicContact CB-CD2 3.95Å; F203-L222 HydrophobicContact CE2-CD2 4.26Å; F203-L222 HydrophobicContact CZ-CD2 4.21Å; N217-L222 HydrophobicContact CB-CB 4.3Å; N217-L222 HydrophobicContact CB-CD1 3.74Å; N217-L222 HydrophobicContact CB-CG 3.77Å; N217-L222 WeakPolarHBondContact OD1-CB 3.48Å; N217-L222 PolarHBondContact OD1-N 3.3Å; G220-L222 PolarHBondContact O-N 3.33Å; G220-L222 VanDerWaalsContact O-N 3.09Å; L222-V224 VanDerWaalsContact C-N 3.25Å; L222-V224 HydrophobicContact CB-CG1 4.29Å; L222-V224 HydrophobicContact CB-CG2 4.07Å; L222-V224 PolarHBondContact O-N 3.14Å; L222-R230 HydrophobicContact CD1-CB 3.84Å; L222-R230 HydrophobicContact CD1-CG 3.58Å; L222-L236 VanDerWaalsContact O-CD1 3.3Å; L222-L236 WeakPolarHBondContact O-CD1 3.18Å; L222-L236 WeakPolarHBondContact O-CD2 3.44Å; L222-L236 WeakPolarHBondContact O-CG 3.47Å |
| 223 | G | 96.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | 67.1 | 22.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G220 F266 I283 P285 | G220-G223 PolarHBondContact O-N 3.27Å; G223-F266 VanDerWaalsContact CA-CD2 3.43Å; G223-I283 CarbonylContact C-O 3.31Å; G223-I283 VanDerWaalsContact C-O 3.3Å; G223-I283 VanDerWaalsContact CA-O 3.3Å; G223-I283 WeakPolarHBondContact CA-O 3.36Å; G223-P285 WeakPolarHBondContact O-CD 3.43Å | ||
| 224 | V | 95.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 16% | 0.164 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -97.5 | 22.6 | -174.1 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | L222 D226 T234 L236 | L222-V224 VanDerWaalsContact C-N 3.25Å; L222-V224 HydrophobicContact CB-CG1 4.29Å; L222-V224 HydrophobicContact CB-CG2 4.07Å; L222-V224 PolarHBondContact O-N 3.14Å; V224-D226 VanDerWaalsContact C-N 3.26Å; V224-D226 PolarHBondContact O-N 3.26Å; V224-T234 HydrophobicContact CG1-CG2 4.04Å; V224-L236 HydrophobicContact CG1-CD1 3.97Å; V224-L236 HydrophobicContact CG1-CG 4.19Å |
| 225 | N | 95.3 | Very high | 97 | Very high | 103 Ų | 103 | 46 Ų | 46 | 55% | 0.551 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 62.2 | 26.2 | 179.5 | -163.3 | 39.3 | 0 | 0 | 0 | 115 | I283 N284 | N225-I283 PolarHBondContact N-O 2.77Å; N225-N284 VanDerWaalsContact CA-OD1 3.24Å; N225-N284 WeakPolarHBondContact CA-OD1 3.33Å; N225-N284 WeakPolarHBondContact CB-OD1 3.19Å; N225-N284 PolarHBondContact N-OD1 3.31Å; N225-N284 PolarHBondContact OD1-ND2 3.41Å; N225-N284 PolarHBondContact OD1-OD1 3.08Å |
| 226 | D | 96.2 | Very high | 96.9 | Very high | 34 Ų | 34 | 46 Ų | 46 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -154.6 | -176.7 | 172 | 66.7 | 52.1 | 0 | 0 | 0 | 110.2 | N217 V224 N228 R230 | N217-D226 PolarHBondContact ND2-O 3.14Å; N217-D226 PolarHBondContact ND2-OD1 3.42Å; V224-D226 VanDerWaalsContact C-N 3.26Å; V224-D226 PolarHBondContact O-N 3.26Å; D226-N228 PolarHBondContact OD1-N 2.83Å; D226-R230 IonicContact OD1-NH2 3.95Å; D226-R230 IonicContact OD2-CZ 2.59Å; D226-R230 IonicContact OD2-NH2 3.91Å; D226-R230 PolarHBondContact OD2-NH2 3.44Å |
| 227 | T | 97.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | trans | -118 | 18.5 | 178.3 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | N217 I283 | N217-T227 CarbonylContact C-O 3.59Å; N217-T227 CarbonylContact O-C 3.56Å; N217-T227 WeakPolarHBondContact O-CA 3.28Å; T227-I283 HydrophobicContact CG2-CG2 3.87Å | ||
| 228 | N | 97.6 | Very high | 96.3 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | trans | -89 | 131.3 | -176.7 | -64.6 | -51.5 | 0 | 0 | 0 | 111.3 | N217 D226 | N217-N228 WeakPolarHBondContact CB-O 3.27Å; N217-N228 PolarHBondContact ND2-N 3.37Å; N217-N228 PolarHBondContact ND2-O 3.36Å; D226-N228 PolarHBondContact OD1-N 2.83Å | ||
| 229 | D | 97.7 | Very high | 96.1 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 40% | 0.396 | 25% | 0.25 | S | S | . | . | trans | -61 | 146.8 | 174.3 | -61.3 | -19.8 | 0 | 0 | 0 | 110.8 | Y166 G215 R216 N217 | Y166-D229 WeakPolarHBondContact CD1-OD2 3.29Å; G215-D229 WeakPolarHBondContact O-CA 3.27Å; R216-D229 VanDerWaalsContact CA-OD1 3.3Å; R216-D229 WeakPolarHBondContact CA-OD1 3.4Å; N217-D229 PolarHBondContact N-OD1 2.87Å | ||
| 230 | R | 97.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 116.5 | -176.4 | -59.1 | -61.4 | -177.6 | 166.3 | 2.6 | 110.4 | W214 G215 L222 D226 F232 | W214-R230 HydrophobicContact CB-CB 4.47Å; G215-R230 PolarHBondContact N-O 3.48Å; G215-R230 PolarHBondContact O-N 3.39Å; L222-R230 HydrophobicContact CD1-CB 3.84Å; L222-R230 HydrophobicContact CD1-CG 3.58Å; D226-R230 IonicContact OD1-NH2 3.95Å; D226-R230 IonicContact OD2-CZ 2.59Å; D226-R230 IonicContact OD2-NH2 3.91Å; D226-R230 PolarHBondContact OD2-NH2 3.44Å; R230-F232 VanDerWaalsContact C-N 3.34Å |
| 231 | C | 96.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -5 | 173.6 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | G170 G172 T174 | G170-C231 CarbonylContact C-O 3.43Å; G170-C231 VanDerWaalsContact CA-O 3.26Å; G170-C231 WeakPolarHBondContact CA-O 3.37Å; G172-C231 WeakPolarHBondContact CA-O 3.46Å; G172-C231 PolarHBondContact N-O 3.21Å; T174-C231 HydrophobicContact CG2-CB 3.67Å |
| 232 | F | 96.4 | Very high | 94.6 | Very high | 112 Ų | 112 | 55.8 Ų | 55.8 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 140.9 | 171.5 | -71.4 | -81.9 | 0 | 0 | 0 | 110.1 | G172 R230 T234 | G172-F232 VanDerWaalsContact CA-CE2 3.46Å; R230-F232 VanDerWaalsContact C-N 3.34Å; F232-T234 PolarHBondContact O-N 3.48Å; F232-T234 VanDerWaalsContact O-N 3.16Å; F232-T234 PolarHBondContact O-OG1 3.05Å |
| 233 | P | 97 | Very high | 94.3 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.7 | 120.2 | 166.8 | -29.5 | 37.9 | 0 | 0 | 0 | 111.5 | G170 V184 S186 L187 F212 W214 | G170-P233 WeakPolarHBondContact O-CD 3.37Å; V184-P233 HydrophobicContact CG1-CG 3.74Å; S186-P233 WeakPolarHBondContact OG-CD 3.43Å; L187-P233 HydrophobicContact CD1-CB 3.76Å; L187-P233 HydrophobicContact CD1-CG 3.65Å; L187-P233 HydrophobicContact CD2-CB 3.56Å; L187-P233 HydrophobicContact CD2-CG 4.16Å; L187-P233 HydrophobicContact CG-CB 3.73Å; L187-P233 HydrophobicContact CG-CG 3.73Å; F212-P233 HydrophobicContact CB-CB 4.39Å; W214-P233 HydrophobicContact CD2-CB 4.22Å; W214-P233 HydrophobicContact CD2-CG 3.87Å; W214-P233 HydrophobicContact CE3-CB 3.65Å; W214-P233 HydrophobicContact CE3-CG 3.76Å; W214-P233 HydrophobicContact CG-CG 4.33Å; W214-P233 HydrophobicContact CZ3-CB 4.09Å; W214-P233 HydrophobicContact CZ3-CG 4.17Å |
| 234 | T | 95.9 | Very high | 94.3 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.8 | -176.8 | -59 | 0 | 0 | 0 | 0 | 109.4 | F212 G213 V224 F232 L236 | F212-T234 CarbonylContact C-O 3.16Å; F212-T234 WeakPolarHBondContact CA-O 3.34Å; G213-T234 PolarHBondContact N-O 3.17Å; G213-T234 PolarHBondContact O-N 3.15Å; V224-T234 HydrophobicContact CG1-CG2 4.04Å; F232-T234 PolarHBondContact O-N 3.48Å; F232-T234 VanDerWaalsContact O-N 3.16Å; F232-T234 PolarHBondContact O-OG1 3.05Å; T234-L236 PolarHBondContact O-N 3.24Å |
| 235 | L | 94.7 | Very high | 94.2 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.4 | 177.7 | 175.3 | 72 | 0 | 0 | 0 | 111.6 | A210 F212 K237 | A210-L235 HydrophobicContact CB-CD1 3.99Å; F212-L235 HydrophobicContact CD1-CB 4.13Å; F212-L235 HydrophobicContact CE1-CB 3.83Å; F212-L235 HydrophobicContact CE1-CD1 4.11Å; F212-L235 HydrophobicContact CE2-CD1 4.13Å; F212-L235 HydrophobicContact CZ-CB 4.42Å; F212-L235 HydrophobicContact CZ-CD1 3.85Å; L235-K237 HydrophobicContact CD2-CG 4.09Å; L235-K237 HydrophobicContact CG-CG 4.35Å; L235-K237 PolarHBondContact O-N 3.06Å; L235-K237 VanDerWaalsContact O-N 3.09Å |
| 236 | L | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | trans | -78.7 | 87.6 | 170.2 | -81.8 | 67.4 | 0 | 0 | 0 | 110 | F203 V211 L222 V224 T234 S238 L239 F266 | F203-L236 HydrophobicContact CE1-CD1 3.81Å; F203-L236 HydrophobicContact CE1-CD2 3.81Å; F203-L236 HydrophobicContact CE1-CG 4.47Å; F203-L236 HydrophobicContact CZ-CD2 4.41Å; V211-L236 HydrophobicContact CB-CB 4.36Å; V211-L236 HydrophobicContact CG1-CD1 4.43Å; V211-L236 HydrophobicContact CG1-CD2 4.08Å; V211-L236 PolarHBondContact O-N 2.94Å; L222-L236 VanDerWaalsContact O-CD1 3.3Å; L222-L236 WeakPolarHBondContact O-CD1 3.18Å; L222-L236 WeakPolarHBondContact O-CD2 3.44Å; L222-L236 WeakPolarHBondContact O-CG 3.47Å; V224-L236 HydrophobicContact CG1-CD1 3.97Å; V224-L236 HydrophobicContact CG1-CG 4.19Å; T234-L236 PolarHBondContact O-N 3.24Å; L236-S238 PolarHBondContact O-N 3.3Å; L236-L239 HydrophobicContact CD2-CD1 4.02Å; L236-L239 PolarHBondContact O-N 2.73Å; L236-F266 HydrophobicContact CD2-CE2 4.08Å; L236-F266 HydrophobicContact CD2-CZ 3.7Å | ||
| 237 | K | 92.2 | Very high | 94.4 | Very high | 170 Ų | 170 | 58.9 Ų | 58.9 | 74% | 0.739 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -59 | -31.5 | -177.2 | -64.1 | 179.2 | -178.1 | 176.6 | 0 | 113.6 | L235 L239 R240 | L235-K237 HydrophobicContact CD2-CG 4.09Å; L235-K237 HydrophobicContact CG-CG 4.35Å; L235-K237 PolarHBondContact O-N 3.06Å; L235-K237 VanDerWaalsContact O-N 3.09Å; K237-L239 PolarHBondContact O-N 2.9Å; K237-R240 PolarHBondContact O-N 2.9Å |
| 238 | S | 92.2 | Very high | 94.4 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 42% | 0.42 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -63.7 | -24.2 | -179.1 | 49.4 | 0 | 0 | 0 | 0 | 114 | L236 P285 | L236-S238 PolarHBondContact O-N 3.3Å; S238-P285 WeakPolarHBondContact OG-CD 3.43Å |
| 239 | L | 93 | Very high | 94.4 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -101.9 | -4 | -179.3 | -68.8 | 175.3 | 0 | 0 | 0 | 114 | L236 K237 S241 Q242 V244 V256 F264 F266 P285 | L236-L239 HydrophobicContact CD2-CD1 4.02Å; L236-L239 PolarHBondContact O-N 2.73Å; K237-L239 PolarHBondContact O-N 2.9Å; L239-S241 PolarHBondContact O-N 3.34Å; L239-S241 VanDerWaalsContact O-N 3.14Å; L239-Q242 HydrophobicContact CD2-CB 4.31Å; L239-Q242 HydrophobicContact CD2-CG 4.03Å; L239-Q242 WeakPolarHBondContact O-CB 3.35Å; L239-Q242 PolarHBondContact O-N 3.26Å; L239-V244 HydrophobicContact CB-CG2 4.12Å; L239-V256 HydrophobicContact CD1-CB 4.36Å; L239-V256 HydrophobicContact CD1-CG1 4.19Å; L239-V256 HydrophobicContact CD1-CG2 4Å; L239-F264 HydrophobicContact CD2-CB 4.37Å; L239-F264 HydrophobicContact CD2-CD1 4.17Å; L239-F264 HydrophobicContact CD2-CD2 4.44Å; L239-F264 HydrophobicContact CD2-CG 4.09Å; L239-F266 HydrophobicContact CD1-CE1 4.26Å; L239-P285 HydrophobicContact CD1-CB 4.11Å; L239-P285 HydrophobicContact CD1-CG 3.85Å; L239-P285 HydrophobicContact CD2-CB 3.76Å; L239-P285 HydrophobicContact CD2-CG 4.2Å; L239-P285 HydrophobicContact CG-CB 3.97Å; L239-P285 HydrophobicContact CG-CG 3.83Å |
| 240 | R | 86.1 | Confident | 94.4 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 18% | 0.177 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.8 | -171.7 | -166.4 | 170.4 | -169.5 | 113.5 | 7.7 | 113.5 | K237 T449 D498 | K237-R240 PolarHBondContact O-N 2.9Å; R240-T449 PolarHBondContact NE-O 3.11Å; R240-D498 IonicContact CZ-OD1 2.97Å; R240-D498 IonicContact CZ-OD2 3.95Å; R240-D498 IonicContact NH1-OD1 3.79Å; R240-D498 IonicContact NH1-OD2 3.88Å; R240-D498 PolarHBondContact NH1-OD2 2.8Å; R240-D498 IonicContact NH2-OD1 2.74Å; R240-D498 PolarHBondContact NH2-OD1 3.31Å; R240-D498 IonicContact NH2-OD2 2.98Å; R240-D498 PolarHBondContact NH2-OD2 2.85Å |
| 241 | S | 83.4 | Confident | 94.3 | Very high | 93 Ų | 93 | 46.1 Ų | 46.1 | 65% | 0.65 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 4.1 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | L239 | L239-S241 PolarHBondContact O-N 3.34Å; L239-S241 VanDerWaalsContact O-N 3.14Å |
| 242 | Q | 91.4 | Very high | 94.4 | Very high | 68 Ų | 68 | 45.4 Ų | 45.4 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -95.2 | 4.8 | -170.7 | -59.3 | -58.8 | -53.4 | 0 | 0 | 113.8 | L239 V244 T258 F264 | L239-Q242 HydrophobicContact CD2-CB 4.31Å; L239-Q242 HydrophobicContact CD2-CG 4.03Å; L239-Q242 WeakPolarHBondContact O-CB 3.35Å; L239-Q242 PolarHBondContact O-N 3.26Å; Q242-V244 HydrophobicContact CB-CG2 4.42Å; Q242-V244 PolarHBondContact O-N 2.95Å; Q242-T258 HydrophobicContact CB-CG2 4.04Å; Q242-T258 WeakPolarHBondContact O-CB 3.22Å; Q242-T258 WeakPolarHBondContact O-CG2 3.37Å; Q242-F264 HydrophobicContact CG-CZ 4.26Å |
| 243 | R | 93.2 | Very high | 94.5 | Very high | 54 Ų | 54 | 40 Ų | 40 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | trans | 51.4 | 53.4 | 179.8 | -55.3 | -176 | 152.8 | 165.2 | -9.1 | 112.4 | T258 K259 D445 F447 | R243-T258 CarbonylContact O-C 3.57Å; R243-T258 WeakPolarHBondContact O-CA 3.44Å; R243-K259 HydrophobicContact CB-CB 4.11Å; R243-K259 PolarHBondContact O-N 2.95Å; R243-D445 IonicContact CZ-OD1 3.69Å; R243-D445 IonicContact CZ-OD2 3.56Å; R243-D445 IonicContact NE-OD1 2.63Å; R243-D445 IonicContact NE-OD2 3.1Å; R243-D445 VanDerWaalsContact NH2-CG 3.33Å; R243-D445 IonicContact NH2-OD1 3.92Å; R243-D445 PolarHBondContact NH2-OD1 3.45Å; R243-D445 IonicContact NH2-OD2 3.79Å; R243-D445 PolarHBondContact NH2-OD2 3.09Å; R243-F447 HydrophobicContact CB-CB 4.25Å; R243-F447 HydrophobicContact CB-CD1 4.05Å; R243-F447 HydrophobicContact CB-CG 4.12Å; R243-F447 HydrophobicContact CG-CB 3.75Å; R243-F447 HydrophobicContact CG-CD1 4.49Å; R243-F447 HydrophobicContact CG-CG 4.12Å | ||
| 244 | V | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 135.7 | -178.3 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | L205 G209 V211 L239 Q242 V247 V256 F447 | L205-V244 HydrophobicContact CD1-CB 4.02Å; L205-V244 HydrophobicContact CD1-CG1 3.61Å; L205-V244 HydrophobicContact CD2-CG1 4.33Å; G209-V244 VanDerWaalsContact CA-O 3.25Å; G209-V244 WeakPolarHBondContact CA-O 3.4Å; V211-V244 HydrophobicContact CG2-CB 4.11Å; V211-V244 HydrophobicContact CG2-CG1 3.86Å; V211-V244 HydrophobicContact CG2-CG2 4.13Å; L239-V244 HydrophobicContact CB-CG2 4.12Å; Q242-V244 HydrophobicContact CB-CG2 4.42Å; Q242-V244 PolarHBondContact O-N 2.95Å; V244-V247 HydrophobicContact CG1-CG2 4.34Å; V244-V256 HydrophobicContact CB-CG1 4.05Å; V244-V256 HydrophobicContact CG1-CG1 3.24Å; V244-V256 HydrophobicContact CG2-CG1 3.6Å; V244-F447 WeakPolarHBondContact O-CE1 3.42Å |
| 245 | I | 94.6 | Very high | 94.7 | Very high | 77 Ų | 77 | 37.3 Ų | 37.3 | 40% | 0.395 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | -16.2 | 179.3 | 61.7 | 165.3 | 0 | 0 | 0 | 113.8 | L205 L257 K259 F447 | L205-I245 WeakPolarHBondContact CD2-O 3.41Å; I245-L257 HydrophobicContact CD1-CD2 4.25Å; I245-L257 HydrophobicContact CD1-CG 4.37Å; I245-L257 HydrophobicContact CG1-CD2 4.45Å; I245-L257 HydrophobicContact CG1-CG 4.24Å; I245-L257 WeakPolarHBondContact CG1-O 3.46Å; I245-L257 PolarHBondContact N-O 3.08Å; I245-K259 HydrophobicContact CG2-CB 3.8Å; I245-K259 HydrophobicContact CG2-CG 4.38Å; I245-F447 HydrophobicContact CG2-CE1 4.34Å; I245-F447 HydrophobicContact CG2-CZ 4.15Å |
| 246 | Y | 96.3 | Very high | 94.9 | Very high | 96 Ų | 96 | 35.6 Ų | 35.6 | 38% | 0.376 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 143.2 | -179.4 | -167.6 | -98.9 | 0 | 0 | 0 | 112.4 | Q194 L257 I299 | Q194-Y246 VanDerWaalsContact OE1-CD2 3.25Å; Y246-L257 PolarHBondContact N-O 3.38Å; Y246-L257 PolarHBondContact O-N 2.9Å; Y246-I299 HydrophobicContact CD1-CD1 4.18Å; Y246-I299 HydrophobicContact CD1-CG1 3.68Å; Y246-I299 HydrophobicContact CE1-CG1 4.12Å; Y246-I299 WeakPolarHBondContact CE1-O 3.42Å |
| 247 | V | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.3 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | Q194 A196 F203 L205 V211 V244 T254 V256 | Q194-V247 PolarHBondContact NE2-O 3.44Å; A196-V247 HydrophobicContact CB-CB 4.28Å; A196-V247 HydrophobicContact CB-CG1 4.1Å; F203-V247 HydrophobicContact CB-CG1 4.04Å; F203-V247 HydrophobicContact CD2-CG1 4.5Å; F203-V247 HydrophobicContact CG-CG1 4.14Å; L205-V247 HydrophobicContact CB-CG2 4.3Å; V211-V247 HydrophobicContact CG1-CG2 4.32Å; V211-V247 HydrophobicContact CG2-CG2 4.32Å; V244-V247 HydrophobicContact CG1-CG2 4.34Å; V247-T254 HydrophobicContact CG1-CG2 3.89Å; V247-V256 HydrophobicContact CG1-CG2 4.44Å; V247-V256 HydrophobicContact CG2-CG2 4.32Å |
| 248 | S | 97.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 8% | 0.077 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129.9 | 175.6 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | A255 C301 | S248-A255 PolarHBondContact N-O 3.38Å; S248-A255 PolarHBondContact O-N 2.98Å; S248-C301 PolarHBondContact O-SG 3.07Å; S248-C301 WeakPolarHBondContact OG-CB 3.39Å; S248-C301 PolarHBondContact OG-N 3.45Å; S248-C301 PolarHBondContact OG-SG 3.06Å |
| 249 | C | 97.6 | Very high | 95 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 11% | 0.108 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.2 | -174.8 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | G198 F203 C301 | G198-C249 VanDerWaalsContact CA-CB 3.44Å; G198-C249 VanDerWaalsContact N-CB 3.35Å; F203-C249 VanDerWaalsContact CD2-SG 3.52Å; C249-C301 VanDerWaalsContact C-CB 3.44Å; C249-C301 WeakPolarHBondContact O-CB 3.37Å |
| 250 | G | 97.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | trans | -96.8 | -159.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G198 G199 H253 G302 | G198-G250 CarbonylContact C-O 3.17Å; G198-G250 WeakPolarHBondContact CA-O 3.46Å; G199-G250 PolarHBondContact N-O 2.89Å; G199-G250 VanDerWaalsContact N-O 3.13Å; G250-H253 PolarHBondContact N-O 3.42Å; G250-G302 WeakPolarHBondContact CA-O 3.5Å | ||
| 251 | E | 96.7 | Very high | 95.1 | Very high | 27 Ų | 27 | 35 Ų | 35 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -62.5 | -56.4 | 178.2 | 179 | 169.8 | -164.7 | 0 | 0 | 111 | F146 G199 R303 | F146-E251 HydrophobicContact CE2-CB 4.25Å; F146-E251 HydrophobicContact CE2-CG 3.53Å; F146-E251 HydrophobicContact CZ-CB 3.74Å; F146-E251 HydrophobicContact CZ-CG 3.55Å; G199-E251 WeakPolarHBondContact CA-O 3.49Å; G199-E251 PolarHBondContact N-O 3.03Å; G199-E251 VanDerWaalsContact N-O 3.09Å; E251-R303 HydrophobicContact CB-CG 3.98Å; E251-R303 WeakPolarHBondContact CB-O 3.43Å; E251-R303 PolarHBondContact N-O 3.27Å; E251-R303 IonicContact OE1-NE 3.9Å; E251-R303 IonicContact OE1-NH2 3.79Å; E251-R303 WeakPolarHBondContact OE2-CG 3.49Å; E251-R303 IonicContact OE2-CZ 3.38Å; E251-R303 VanDerWaalsContact OE2-CZ 3.25Å; E251-R303 IonicContact OE2-NE 2.65Å; E251-R303 PolarHBondContact OE2-NE 2.91Å; E251-R303 IonicContact OE2-NH2 3Å; E251-R303 PolarHBondContact OE2-NH2 3.21Å; E251-R303 VanDerWaalsContact OE2-NH2 3.09Å |
| 252 | D | 98 | Very high | 95.7 | Very high | 18 Ų | 18 | 31 Ų | 31 | 10% | 0.096 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -131.8 | 20 | -173.8 | -76.6 | -50.1 | 0 | 0 | 0 | 112 | R216 F219 Q221 A268 | R216-D252 IonicContact NH1-OD1 3.87Å; F219-D252 HydrophobicContact CD2-CB 3.84Å; F219-D252 HydrophobicContact CE2-CB 4.29Å; Q221-D252 WeakPolarHBondContact CB-O 3.21Å; Q221-D252 PolarHBondContact NE2-OD1 3.16Å; Q221-D252 VanDerWaalsContact NE2-OD1 3.16Å; D252-A268 HydrophobicContact CB-CB 3.71Å; D252-A268 VanDerWaalsContact O-CB 3.29Å; D252-A268 WeakPolarHBondContact O-CB 3.48Å; D252-A268 PolarHBondContact O-N 3.1Å |
| 253 | H | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160.9 | 176.3 | 76 | -73.7 | 0 | 0 | 0 | 111.9 | G250 F266 Q273 L274 T306 | G250-H253 PolarHBondContact N-O 3.42Å; H253-F266 WeakPolarHBondContact CA-O 3.2Å; H253-F266 WeakPolarHBondContact CB-O 3.27Å; H253-Q273 HydrophobicContact CB-CG 4.2Å; H253-L274 HydrophobicContact CB-CD2 3.86Å; H253-T306 PolarHBondContact NE2-OG1 3.39Å |
| 254 | T | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 139.3 | -178.4 | -54.8 | 0 | 0 | 0 | 0 | 109.5 | H201 F203 Q221 V247 V256 T265 F266 | H201-T254 PolarHBondContact NE2-OG1 3.49Å; F203-T254 HydrophobicContact CD2-CG2 4.2Å; F203-T254 HydrophobicContact CE2-CG2 3.74Å; F203-T254 VanDerWaalsContact CE2-OG1 3.31Å; F203-T254 WeakPolarHBondContact CE2-OG1 3.35Å; F203-T254 HydrophobicContact CZ-CG2 3.98Å; Q221-T254 PolarHBondContact O-OG1 3.29Å; V247-T254 HydrophobicContact CG1-CG2 3.89Å; T254-V256 HydrophobicContact CG2-CG2 4.26Å; T254-T265 WeakPolarHBondContact O-CA 3.33Å; T254-F266 HydrophobicContact CG2-CE1 4.14Å; T254-F266 HydrophobicContact CG2-CE2 3.95Å; T254-F266 HydrophobicContact CG2-CZ 3.55Å; T254-F266 PolarHBondContact N-O 3.25Å; T254-F266 PolarHBondContact O-N 3.24Å |
| 255 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 141.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S248 F264 T265 I299 C301 T306 | S248-A255 PolarHBondContact N-O 3.38Å; S248-A255 PolarHBondContact O-N 2.98Å; A255-F264 CarbonylContact C-O 3.14Å; A255-F264 WeakPolarHBondContact CA-O 3.25Å; A255-T265 HydrophobicContact CB-CG2 3.87Å; A255-I299 HydrophobicContact CB-CD1 3.89Å; A255-C301 VanDerWaalsContact CB-SG 3.55Å; A255-T306 HydrophobicContact CB-CG2 4.24Å |
| 256 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.3 | -176.1 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | L239 V244 V247 T254 V263 F264 F266 | L239-V256 HydrophobicContact CD1-CB 4.36Å; L239-V256 HydrophobicContact CD1-CG1 4.19Å; L239-V256 HydrophobicContact CD1-CG2 4Å; V244-V256 HydrophobicContact CB-CG1 4.05Å; V244-V256 HydrophobicContact CG1-CG1 3.24Å; V244-V256 HydrophobicContact CG2-CG1 3.6Å; V247-V256 HydrophobicContact CG1-CG2 4.44Å; V247-V256 HydrophobicContact CG2-CG2 4.32Å; T254-V256 HydrophobicContact CG2-CG2 4.26Å; V256-V263 WeakPolarHBondContact O-CA 3.36Å; V256-F264 HydrophobicContact CB-CB 4.41Å; V256-F264 PolarHBondContact N-O 2.82Å; V256-F264 PolarHBondContact O-N 3.01Å; V256-F266 HydrophobicContact CG2-CE1 3.72Å; V256-F266 HydrophobicContact CG2-CZ 4.1Å |
| 257 | L | 96.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132 | 178.7 | 179.2 | 66.9 | 0 | 0 | 0 | 110.6 | I245 Y246 G262 V263 V296 T297 I299 | I245-L257 HydrophobicContact CD1-CD2 4.25Å; I245-L257 HydrophobicContact CD1-CG 4.37Å; I245-L257 HydrophobicContact CG1-CD2 4.45Å; I245-L257 HydrophobicContact CG1-CG 4.24Å; I245-L257 WeakPolarHBondContact CG1-O 3.46Å; I245-L257 PolarHBondContact N-O 3.08Å; Y246-L257 PolarHBondContact N-O 3.38Å; Y246-L257 PolarHBondContact O-N 2.9Å; L257-G262 WeakPolarHBondContact CA-O 3.48Å; L257-V263 HydrophobicContact CD1-CG2 4.06Å; L257-V296 HydrophobicContact CD1-CB 4.04Å; L257-V296 HydrophobicContact CD1-CG1 3.95Å; L257-T297 WeakPolarHBondContact CD2-O 3.37Å; L257-I299 HydrophobicContact CB-CD1 3.79Å; L257-I299 HydrophobicContact CB-CG1 4.05Å |
| 258 | T | 95.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 160.4 | 175.7 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | Q242 R243 E260 G261 G262 F264 | Q242-T258 HydrophobicContact CB-CG2 4.04Å; Q242-T258 WeakPolarHBondContact O-CB 3.22Å; Q242-T258 WeakPolarHBondContact O-CG2 3.37Å; R243-T258 CarbonylContact O-C 3.57Å; R243-T258 WeakPolarHBondContact O-CA 3.44Å; T258-E260 PolarHBondContact O-N 2.93Å; T258-G261 PolarHBondContact O-N 3.22Å; T258-G262 PolarHBondContact N-O 3.42Å; T258-G262 WeakPolarHBondContact OG1-CA 3.33Å; T258-G262 PolarHBondContact OG1-N 2.89Å; T258-G262 PolarHBondContact OG1-O 2.87Å; T258-F264 HydrophobicContact CG2-CD2 3.91Å; T258-F264 HydrophobicContact CG2-CE2 3.64Å |
| 259 | K | 90.9 | Very high | 96.6 | Very high | 119 Ų | 119 | 17.8 Ų | 17.8 | 52% | 0.517 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.4 | 175.8 | -169.6 | 174.4 | 177.9 | -179.8 | 0 | 113.2 | R243 I245 G261 F447 | R243-K259 HydrophobicContact CB-CB 4.11Å; R243-K259 PolarHBondContact O-N 2.95Å; I245-K259 HydrophobicContact CG2-CB 3.8Å; I245-K259 HydrophobicContact CG2-CG 4.38Å; K259-G261 PolarHBondContact O-N 2.96Å; K259-F447 HydrophobicContact CD-CE2 4.08Å |
| 260 | E | 89.8 | Confident | 96.6 | Very high | 135 Ų | 135 | 19 Ų | 19 | 63% | 0.631 | 11% | 0.105 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3 | 178.1 | -63.5 | 174.2 | -174.1 | 0 | 0 | 113.2 | T258 | T258-E260 PolarHBondContact O-N 2.93Š|
| 261 | G | 92.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 78.7 | 16.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | T258 K259 V296 | T258-G261 PolarHBondContact O-N 3.22Å; K259-G261 PolarHBondContact O-N 2.96Å; G261-V296 WeakPolarHBondContact CA-O 3.42Å; G261-V296 WeakPolarHBondContact O-CB 3.41Å; G261-V296 PolarHBondContact O-N 3.33Å |
| 262 | G | 95 | Very high | 96.6 | Very high | 8 Ų | 8 | 22 Ų | 22 | 8% | 0.082 | 12% | 0.115 | C | C | . | . | trans | -77.1 | 133.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L257 T258 | L257-G262 WeakPolarHBondContact CA-O 3.48Å; T258-G262 PolarHBondContact N-O 3.42Å; T258-G262 WeakPolarHBondContact OG1-CA 3.33Å; T258-G262 PolarHBondContact OG1-N 2.89Å; T258-G262 PolarHBondContact OG1-O 2.87Å | ||
| 263 | V | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126 | 175.9 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | V256 L257 T265 K287 V288 L291 V296 I299 | V256-V263 WeakPolarHBondContact O-CA 3.36Å; L257-V263 HydrophobicContact CD1-CG2 4.06Å; V263-T265 HydrophobicContact CG1-CG2 4.29Å; V263-K287 WeakPolarHBondContact O-CA 3.12Å; V263-V288 HydrophobicContact CB-CG2 4.44Å; V263-V288 HydrophobicContact CG1-CG2 4.09Å; V263-V288 PolarHBondContact O-N 3.23Å; V263-L291 HydrophobicContact CB-CD1 4.17Å; V263-L291 HydrophobicContact CG1-CD1 4.5Å; V263-L291 HydrophobicContact CG2-CD1 4.1Å; V263-V296 HydrophobicContact CG2-CB 3.81Å; V263-V296 HydrophobicContact CG2-CG1 3.71Å; V263-V296 HydrophobicContact CG2-CG2 3.84Å; V263-I299 HydrophobicContact CG1-CG2 4.25Å; V263-I299 HydrophobicContact CG2-CG2 3.9Å |
| 264 | F | 97.9 | Very high | 96.6 | Very high | 20 Ų | 20 | 21.5 Ų | 21.5 | 9% | 0.088 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.8 | 173.1 | -67.3 | -103.1 | 0 | 0 | 0 | 109.8 | L239 Q242 A255 V256 T258 P285 R286 K287 | L239-F264 HydrophobicContact CD2-CB 4.37Å; L239-F264 HydrophobicContact CD2-CD1 4.17Å; L239-F264 HydrophobicContact CD2-CD2 4.44Å; L239-F264 HydrophobicContact CD2-CG 4.09Å; Q242-F264 HydrophobicContact CG-CZ 4.26Å; A255-F264 CarbonylContact C-O 3.14Å; A255-F264 WeakPolarHBondContact CA-O 3.25Å; V256-F264 HydrophobicContact CB-CB 4.41Å; V256-F264 PolarHBondContact N-O 2.82Å; V256-F264 PolarHBondContact O-N 3.01Å; T258-F264 HydrophobicContact CG2-CD2 3.91Å; T258-F264 HydrophobicContact CG2-CE2 3.64Å; F264-P285 HydrophobicContact CB-CB 4.26Å; F264-P285 HydrophobicContact CD1-CB 4.3Å; F264-R286 CarbonylContact C-O 3.54Å; F264-R286 VanDerWaalsContact CA-O 3.31Å; F264-R286 WeakPolarHBondContact CA-O 3.13Å; F264-K287 HydrophobicContact CD1-CB 3.99Å; F264-K287 HydrophobicContact CE1-CB 3.74Å; F264-K287 HydrophobicContact CE1-CD 4.38Å; F264-K287 HydrophobicContact CE1-CG 4.31Å; F264-K287 HydrophobicContact CE2-CD 4.29Å; F264-K287 HydrophobicContact CE2-CG 4.4Å; F264-K287 HydrophobicContact CZ-CB 4.11Å; F264-K287 HydrophobicContact CZ-CD 3.91Å; F264-K287 HydrophobicContact CZ-CG 4.18Å |
| 265 | T | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.2 | 179.6 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | T254 A255 V263 L274 H276 R286 V288 | T254-T265 WeakPolarHBondContact O-CA 3.33Å; A255-T265 HydrophobicContact CB-CG2 3.87Å; V263-T265 HydrophobicContact CG1-CG2 4.29Å; T265-L274 PolarHBondContact OG1-O 3.4Å; T265-H276 PolarHBondContact OG1-CE1 3.49Å; T265-H276 PolarHBondContact OG1-NE2 2.89Å; T265-R286 PolarHBondContact N-O 3.42Å; T265-R286 PolarHBondContact O-N 3.49Å; T265-R286 VanDerWaalsContact O-N 3.08Å; T265-V288 HydrophobicContact CG2-CG2 3.93Å; T265-V288 WeakPolarHBondContact OG1-CG2 3.25Å |
| 266 | F | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 164.2 | 179.2 | 49.7 | -82.3 | 0 | 0 | 0 | 111.7 | F203 Q221 G223 L236 L239 H253 T254 V256 E282 P285 | F203-F266 HydrophobicContact CE1-CZ 4.5Å; F203-F266 AromaticContact CZ-CE2 3.91Å; F203-F266 HydrophobicContact CZ-CE2 3.91Å; F203-F266 HydrophobicContact CZ-CZ 4.15Å; Q221-F266 WeakPolarHBondContact O-CD2 3.41Å; Q221-F266 WeakPolarHBondContact O-CE2 3.23Å; G223-F266 VanDerWaalsContact CA-CD2 3.43Å; L236-F266 HydrophobicContact CD2-CE2 4.08Å; L236-F266 HydrophobicContact CD2-CZ 3.7Å; L239-F266 HydrophobicContact CD1-CE1 4.26Å; H253-F266 WeakPolarHBondContact CA-O 3.2Å; H253-F266 WeakPolarHBondContact CB-O 3.27Å; T254-F266 HydrophobicContact CG2-CE1 4.14Å; T254-F266 HydrophobicContact CG2-CE2 3.95Å; T254-F266 HydrophobicContact CG2-CZ 3.55Å; T254-F266 PolarHBondContact N-O 3.25Å; T254-F266 PolarHBondContact O-N 3.24Å; V256-F266 HydrophobicContact CG2-CE1 3.72Å; V256-F266 HydrophobicContact CG2-CZ 4.1Å; F266-E282 HydrophobicContact CB-CB 4.43Å; F266-E282 WeakPolarHBondContact CB-O 2.99Å; F266-P285 HydrophobicContact CD1-CB 3.66Å; F266-P285 HydrophobicContact CD1-CG 3.7Å; F266-P285 HydrophobicContact CE1-CB 3.96Å; F266-P285 HydrophobicContact CE1-CG 3.78Å; F266-P285 HydrophobicContact CG-CB 4.43Å; F266-P285 HydrophobicContact CG-CG 4.19Å; F266-P285 HydrophobicContact CZ-CG 4.34Å |
| 267 | G | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.4 | -141.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F219 G269 H281 E282 | F219-G267 CarbonylContact O-C 3.22Å; F219-G267 VanDerWaalsContact O-C 3.26Å; F219-G267 VanDerWaalsContact O-CA 3.3Å; F219-G267 WeakPolarHBondContact O-CA 3.39Å; G267-G269 PolarHBondContact O-N 3.37Å; G267-H281 VanDerWaalsContact O-CA 3.31Å; G267-H281 WeakPolarHBondContact O-CA 3.38Å; G267-E282 PolarHBondContact N-O 2.95Å; G267-E282 PolarHBondContact O-N 3.48Å |
| 268 | A | 98.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | trans | -67.5 | 127 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F219 D252 Q273 L274 H281 | F219-A268 HydrophobicContact CB-CB 4.03Å; F219-A268 HydrophobicContact CD2-CB 4.22Å; F219-A268 HydrophobicContact CG-CB 4.12Å; D252-A268 HydrophobicContact CB-CB 3.71Å; D252-A268 VanDerWaalsContact O-CB 3.29Å; D252-A268 WeakPolarHBondContact O-CB 3.48Å; D252-A268 PolarHBondContact O-N 3.1Å; A268-Q273 WeakPolarHBondContact O-CG 3.48Å; A268-Q273 PolarHBondContact O-NE2 2.86Å; A268-Q273 VanDerWaalsContact O-NE2 3.1Å; A268-Q273 PolarHBondContact O-OE1 3.37Å; A268-L274 WeakPolarHBondContact O-CD2 3.28Å; A268-H281 WeakPolarHBondContact CA-ND1 3.25Å | ||
| 269 | G | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -117.8 | 6.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G267 Y271 G272 Q273 T279 N280 H281 | G267-G269 PolarHBondContact O-N 3.37Å; G269-Y271 PolarHBondContact O-N 3.38Å; G269-G272 PolarHBondContact O-N 3.36Å; G269-Q273 PolarHBondContact O-OE1 2.84Å; G269-T279 CarbonylContact C-O 3.34Å; G269-T279 CarbonylContact O-C 3.52Å; G269-T279 WeakPolarHBondContact O-CA 3.47Å; G269-N280 WeakPolarHBondContact CA-O 3.34Å; G269-H281 PolarHBondContact N-ND1 2.94Å | ||
| 270 | G | 97.4 | Very high | 96.7 | Very high | 41 Ų | 41 | 30.5 Ų | 30.5 | 42% | 0.423 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 271 | Y | 96.9 | Very high | 97.1 | Very high | 96 Ų | 96 | 28.7 Ų | 28.7 | 38% | 0.376 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 1.6 | 176.9 | -61.1 | -75.8 | 0 | 0 | 0 | 113.5 | G269 Q304 G320 L321 | G269-Y271 PolarHBondContact O-N 3.38Å; Y271-Q304 HydrophobicContact CD2-CB 4.11Å; Y271-Q304 HydrophobicContact CD2-CG 4.09Å; Y271-Q304 HydrophobicContact CE2-CG 4.34Å; Y271-G320 CarbonylContact O-C 3.13Å; Y271-G320 WeakPolarHBondContact O-CA 3.48Å; Y271-L321 HydrophobicContact CD1-CD1 3.73Å; Y271-L321 HydrophobicContact CE1-CD1 4.01Å; Y271-L321 HydrophobicContact CG-CB 4.28Å; Y271-L321 HydrophobicContact CG-CD1 4.27Å |
| 272 | G | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 88.8 | 11.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G269 L274 G275 | G269-G272 PolarHBondContact O-N 3.36Å; G272-L274 PolarHBondContact O-N 3.39Å; G272-G275 PolarHBondContact O-N 3.27Å |
| 273 | Q | 97.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -7.3 | -173.8 | 65.1 | -96.5 | 58 | 0 | 0 | 114.9 | H253 A268 G269 Q304 T306 F319 | H253-Q273 HydrophobicContact CB-CG 4.2Å; A268-Q273 WeakPolarHBondContact O-CG 3.48Å; A268-Q273 PolarHBondContact O-NE2 2.86Å; A268-Q273 VanDerWaalsContact O-NE2 3.1Å; A268-Q273 PolarHBondContact O-OE1 3.37Å; G269-Q273 PolarHBondContact O-OE1 2.84Å; Q273-Q304 WeakPolarHBondContact CB-O 3.46Å; Q273-T306 PolarHBondContact O-OG1 3.4Å; Q273-F319 WeakPolarHBondContact O-CD2 2.92Å; Q273-F319 WeakPolarHBondContact O-CE2 3.45Å |
| 274 | L | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -14.2 | 173.4 | -50.2 | -179 | 0 | 0 | 0 | 112.7 | H253 T265 A268 G272 H276 E282 | H253-L274 HydrophobicContact CB-CD2 3.86Å; T265-L274 PolarHBondContact OG1-O 3.4Å; A268-L274 WeakPolarHBondContact O-CD2 3.28Å; G272-L274 PolarHBondContact O-N 3.39Å; L274-H276 VanDerWaalsContact C-N 3.27Å; L274-H276 VanDerWaalsContact CB-CD2 3.49Å; L274-H276 WeakPolarHBondContact CB-CD2 3.13Å; L274-H276 PolarHBondContact O-CE1 2.76Å; L274-H276 PolarHBondContact O-N 2.76Å; L274-E282 HydrophobicContact CD1-CB 3.84Å; L274-E282 HydrophobicContact CD1-CG 3.53Å |
| 275 | G | 97.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | trans | 71.2 | 16.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G272 N277 F319 K336 P338 | G272-G275 PolarHBondContact O-N 3.27Å; G275-N277 VanDerWaalsContact C-N 3.28Å; G275-N277 PolarHBondContact O-N 3.25Å; G275-F319 VanDerWaalsContact N-CD2 3.26Å; G275-K336 CarbonylContact C-O 3.26Å; G275-K336 WeakPolarHBondContact CA-O 3.46Å; G275-P338 WeakPolarHBondContact O-CD 3.49Å | ||
| 276 | H | 96.9 | Very high | 97.3 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -90.2 | 19.8 | -178.2 | -58.2 | -44.6 | 0 | 0 | 0 | 114.2 | T265 L274 S278 E282 R286 K336 | T265-H276 PolarHBondContact OG1-CE1 3.49Å; T265-H276 PolarHBondContact OG1-NE2 2.89Å; L274-H276 VanDerWaalsContact C-N 3.27Å; L274-H276 VanDerWaalsContact CB-CD2 3.49Å; L274-H276 WeakPolarHBondContact CB-CD2 3.13Å; L274-H276 PolarHBondContact O-CE1 2.76Å; L274-H276 PolarHBondContact O-N 2.76Å; H276-S278 PolarHBondContact O-N 2.88Å; H276-S278 VanDerWaalsContact O-N 3.14Å; H276-E282 IonicContact CD2-OE1 2.86Å; H276-R286 PolarHBondContact CE1-O 3.14Å; H276-R286 VanDerWaalsContact CE1-O 3.25Å; H276-K336 PolarHBondContact N-O 3.19Å |
| 277 | N | 96.4 | Very high | 97.2 | Very high | 103 Ų | 103 | 42.7 Ų | 42.7 | 55% | 0.551 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 51.6 | 33.9 | -171.5 | -165.7 | 24.9 | 0 | 0 | 0 | 112.7 | G275 K336 | G275-N277 VanDerWaalsContact C-N 3.28Å; G275-N277 PolarHBondContact O-N 3.25Å; N277-K336 VanDerWaalsContact CA-O 3.28Å; N277-K336 WeakPolarHBondContact CA-O 3.24Å; N277-K336 PolarHBondContact N-O 3.41Å |
| 278 | S | 96.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -145.6 | 163.1 | -176.2 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | H276 N280 | H276-S278 PolarHBondContact O-N 2.88Å; H276-S278 VanDerWaalsContact O-N 3.14Å; S278-N280 VanDerWaalsContact OG-CG 3.3Å; S278-N280 PolarHBondContact OG-N 3.27Å; S278-N280 VanDerWaalsContact OG-N 3.17Å; S278-N280 PolarHBondContact OG-ND2 3.01Å |
| 279 | T | 96.8 | Very high | 96.9 | Very high | 59 Ų | 59 | 48.6 Ų | 48.6 | 36% | 0.362 | 25% | 0.247 | S | C | . | . | trans | -108.4 | 9.9 | 172.2 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | G269 K336 | G269-T279 CarbonylContact C-O 3.34Å; G269-T279 CarbonylContact O-C 3.52Å; G269-T279 WeakPolarHBondContact O-CA 3.47Å; T279-K336 HydrophobicContact CG2-CD 3.91Å; T279-K336 HydrophobicContact CG2-CG 4.22Å | ||
| 280 | N | 97.4 | Very high | 96.7 | Very high | 104 Ų | 104 | 53 Ų | 53 | 56% | 0.556 | 27% | 0.268 | S | S | * | . | trans | -72.7 | 149.9 | -179.4 | -65.9 | -14.3 | 0 | 0 | 0 | 111.6 | G269 S278 | G269-N280 WeakPolarHBondContact CA-O 3.34Å; S278-N280 VanDerWaalsContact OG-CG 3.3Å; S278-N280 PolarHBondContact OG-N 3.27Å; S278-N280 VanDerWaalsContact OG-N 3.17Å; S278-N280 PolarHBondContact OG-ND2 3.01Å | ||
| 281 | H | 97.9 | Very high | 96.4 | Very high | 96 Ų | 96 | 51.2 Ų | 51.2 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | trans | -73 | 143.9 | 165.3 | -54.8 | -56 | 0 | 0 | 0 | 109.9 | F219 G267 A268 G269 | F219-H281 AromaticContact CD1-CE1 3.55Å; F219-H281 AromaticContact CD1-ND1 3.87Å; F219-H281 AromaticContact CD1-NE2 3.68Å; F219-H281 AromaticContact CE1-CE1 3.98Å; F219-H281 AromaticContact CE1-NE2 3.98Å; G267-H281 VanDerWaalsContact O-CA 3.31Å; G267-H281 WeakPolarHBondContact O-CA 3.38Å; A268-H281 WeakPolarHBondContact CA-ND1 3.25Å; G269-H281 PolarHBondContact N-ND1 2.94Å | ||
| 282 | E | 98.1 | Very high | 95.8 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 112 | 179 | -64 | -71 | 177.8 | 0 | 0 | 108.8 | F266 G267 L274 H276 N284 R286 | F266-E282 HydrophobicContact CB-CB 4.43Å; F266-E282 WeakPolarHBondContact CB-O 2.99Å; G267-E282 PolarHBondContact N-O 2.95Å; G267-E282 PolarHBondContact O-N 3.48Å; L274-E282 HydrophobicContact CD1-CB 3.84Å; L274-E282 HydrophobicContact CD1-CG 3.53Å; H276-E282 IonicContact CD2-OE1 2.86Å; E282-N284 VanDerWaalsContact C-N 3.29Å; E282-R286 WeakPolarHBondContact OE1-CD 3.49Å; E282-R286 IonicContact OE1-CZ 3.24Å; E282-R286 IonicContact OE1-NH1 2.78Å; E282-R286 PolarHBondContact OE1-NH1 3.05Å |
| 283 | I | 96.9 | Very high | 94.9 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -8.7 | -179.9 | 63.7 | 172.8 | 0 | 0 | 0 | 113.6 | G223 N225 T227 | G223-I283 CarbonylContact C-O 3.31Å; G223-I283 VanDerWaalsContact C-O 3.3Å; G223-I283 VanDerWaalsContact CA-O 3.3Å; G223-I283 WeakPolarHBondContact CA-O 3.36Å; N225-I283 PolarHBondContact N-O 2.77Å; T227-I283 HydrophobicContact CG2-CG2 3.87Å |
| 284 | N | 96.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.3 | 176 | -71.8 | -52.3 | 0 | 0 | 0 | 109.7 | N225 E282 R286 | N225-N284 VanDerWaalsContact CA-OD1 3.24Å; N225-N284 WeakPolarHBondContact CA-OD1 3.33Å; N225-N284 WeakPolarHBondContact CB-OD1 3.19Å; N225-N284 PolarHBondContact N-OD1 3.31Å; N225-N284 PolarHBondContact OD1-ND2 3.41Å; N225-N284 PolarHBondContact OD1-OD1 3.08Å; E282-N284 VanDerWaalsContact C-N 3.29Å; N284-R286 PolarHBondContact O-N 3.22Å; N284-R286 VanDerWaalsContact O-N 3.13Å |
| 285 | P | 97.4 | Very high | 93.8 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 118.7 | 172.4 | -24.9 | 35.4 | 0 | 0 | 0 | 111.2 | G223 S238 L239 F264 F266 | G223-P285 WeakPolarHBondContact O-CD 3.43Å; S238-P285 WeakPolarHBondContact OG-CD 3.43Å; L239-P285 HydrophobicContact CD1-CB 4.11Å; L239-P285 HydrophobicContact CD1-CG 3.85Å; L239-P285 HydrophobicContact CD2-CB 3.76Å; L239-P285 HydrophobicContact CD2-CG 4.2Å; L239-P285 HydrophobicContact CG-CB 3.97Å; L239-P285 HydrophobicContact CG-CG 3.83Å; F264-P285 HydrophobicContact CB-CB 4.26Å; F264-P285 HydrophobicContact CD1-CB 4.3Å; F266-P285 HydrophobicContact CD1-CB 3.66Å; F266-P285 HydrophobicContact CD1-CG 3.7Å; F266-P285 HydrophobicContact CE1-CB 3.96Å; F266-P285 HydrophobicContact CE1-CG 3.78Å; F266-P285 HydrophobicContact CG-CB 4.43Å; F266-P285 HydrophobicContact CG-CG 4.19Å; F266-P285 HydrophobicContact CZ-CG 4.34Å |
| 286 | R | 96.8 | Very high | 93.6 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.8 | 178.6 | -179.7 | 176.9 | 175.7 | -172.4 | -1 | 109.8 | F264 T265 H276 E282 N284 | F264-R286 CarbonylContact C-O 3.54Å; F264-R286 VanDerWaalsContact CA-O 3.31Å; F264-R286 WeakPolarHBondContact CA-O 3.13Å; T265-R286 PolarHBondContact N-O 3.42Å; T265-R286 PolarHBondContact O-N 3.49Å; T265-R286 VanDerWaalsContact O-N 3.08Å; H276-R286 PolarHBondContact CE1-O 3.14Å; H276-R286 VanDerWaalsContact CE1-O 3.25Å; E282-R286 WeakPolarHBondContact OE1-CD 3.49Å; E282-R286 IonicContact OE1-CZ 3.24Å; E282-R286 IonicContact OE1-NH1 2.78Å; E282-R286 PolarHBondContact OE1-NH1 3.05Å; N284-R286 PolarHBondContact O-N 3.22Å; N284-R286 VanDerWaalsContact O-N 3.13Å |
| 287 | K | 96.2 | Very high | 93.4 | Very high | 61 Ų | 61 | 62 Ų | 62 | 27% | 0.265 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 135.1 | 178.8 | -166.3 | 163.9 | 178.2 | 174.5 | 0 | 110.4 | V263 F264 F289 M292 | V263-K287 WeakPolarHBondContact O-CA 3.12Å; F264-K287 HydrophobicContact CD1-CB 3.99Å; F264-K287 HydrophobicContact CE1-CB 3.74Å; F264-K287 HydrophobicContact CE1-CD 4.38Å; F264-K287 HydrophobicContact CE1-CG 4.31Å; F264-K287 HydrophobicContact CE2-CD 4.29Å; F264-K287 HydrophobicContact CE2-CG 4.4Å; F264-K287 HydrophobicContact CZ-CB 4.11Å; F264-K287 HydrophobicContact CZ-CD 3.91Å; F264-K287 HydrophobicContact CZ-CG 4.18Å; K287-F289 PolarHBondContact O-N 3.42Å; K287-F289 VanDerWaalsContact O-N 3.14Å; K287-M292 HydrophobicContact CD-CE 3.66Å; K287-M292 HydrophobicContact CG-CE 4.46Å |
| 288 | V | 97 | Very high | 93.3 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | trans | -80.8 | 91.6 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | V263 T265 E290 L291 P338 | V263-V288 HydrophobicContact CB-CG2 4.44Å; V263-V288 HydrophobicContact CG1-CG2 4.09Å; V263-V288 PolarHBondContact O-N 3.23Å; T265-V288 HydrophobicContact CG2-CG2 3.93Å; T265-V288 WeakPolarHBondContact OG1-CG2 3.25Å; V288-E290 VanDerWaalsContact C-N 3.27Å; V288-E290 PolarHBondContact O-N 3.38Å; V288-L291 HydrophobicContact CB-CD1 4.16Å; V288-L291 HydrophobicContact CG1-CB 4.47Å; V288-L291 HydrophobicContact CG1-CD1 3.85Å; V288-L291 HydrophobicContact CG1-CG 3.99Å; V288-L291 PolarHBondContact O-N 3.44Å; V288-L291 VanDerWaalsContact O-N 3.16Å; V288-P338 HydrophobicContact CG1-CG 3.7Å | ||
| 289 | F | 93.3 | Very high | 93.4 | Very high | 131 Ų | 131 | 57 Ų | 57 | 58% | 0.575 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -59.5 | -32.8 | -174.4 | -78.3 | -75.2 | 0 | 0 | 0 | 114.2 | K287 L291 M292 | K287-F289 PolarHBondContact O-N 3.42Å; K287-F289 VanDerWaalsContact O-N 3.14Å; F289-L291 PolarHBondContact O-N 3.29Å; F289-M292 HydrophobicContact CD1-CE 3.82Å; F289-M292 HydrophobicContact CD1-CG 4.34Å; F289-M292 HydrophobicContact CD1-SD 3.46Å; F289-M292 WeakPolarHBondContact CD1-SD 3.32Å; F289-M292 HydrophobicContact CE1-CE 3.69Å; F289-M292 HydrophobicContact CE1-SD 3.9Å; F289-M292 WeakPolarHBondContact O-CB 3.42Å; F289-M292 PolarHBondContact O-N 3.44Å |
| 290 | E | 91.9 | Very high | 93.4 | Very high | 91 Ų | 91 | 54.7 Ų | 54.7 | 43% | 0.425 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -68.8 | -14.6 | -179.3 | -66 | -175.6 | -171 | 0 | 0 | 113.8 | V288 S337 P338 | V288-E290 VanDerWaalsContact C-N 3.27Å; V288-E290 PolarHBondContact O-N 3.38Å; E290-S337 WeakPolarHBondContact OE1-CB 3.34Å; E290-S337 WeakPolarHBondContact OE2-CB 3.34Å; E290-P338 HydrophobicContact CB-CG 4.16Å; E290-P338 VanDerWaalsContact OE2-CD 3.26Å; E290-P338 WeakPolarHBondContact OE2-CD 3.38Å |
| 291 | L | 92.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -92 | -2 | 171.3 | -64.9 | 171.1 | 0 | 0 | 0 | 112.3 | V263 V288 F289 N294 V296 A308 Y317 F319 P338 | V263-L291 HydrophobicContact CB-CD1 4.17Å; V263-L291 HydrophobicContact CG1-CD1 4.5Å; V263-L291 HydrophobicContact CG2-CD1 4.1Å; V288-L291 HydrophobicContact CB-CD1 4.16Å; V288-L291 HydrophobicContact CG1-CB 4.47Å; V288-L291 HydrophobicContact CG1-CD1 3.85Å; V288-L291 HydrophobicContact CG1-CG 3.99Å; V288-L291 PolarHBondContact O-N 3.44Å; V288-L291 VanDerWaalsContact O-N 3.16Å; F289-L291 PolarHBondContact O-N 3.29Å; L291-N294 PolarHBondContact O-N 3.25Å; L291-V296 HydrophobicContact CB-CG2 4.19Å; L291-V296 HydrophobicContact CD1-CG2 4.38Å; L291-A308 HydrophobicContact CD1-CB 3.97Å; L291-Y317 HydrophobicContact CD2-CD1 4.34Å; L291-Y317 HydrophobicContact CD2-CD2 3.91Å; L291-Y317 HydrophobicContact CD2-CE2 4.44Å; L291-Y317 HydrophobicContact CD2-CG 3.86Å; L291-F319 HydrophobicContact CD1-CE1 4.4Å; L291-P338 HydrophobicContact CD1-CG 4.23Å; L291-P338 HydrophobicContact CD2-CB 3.89Å; L291-P338 HydrophobicContact CD2-CG 4.16Å; L291-P338 HydrophobicContact CG-CB 4.19Å; L291-P338 HydrophobicContact CG-CG 3.88Å |
| 292 | M | 82.8 | Confident | 93.3 | Very high | 94 Ų | 94 | 45.6 Ų | 45.6 | 46% | 0.463 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 150.7 | 175.7 | -78 | -168 | 156.5 | 0 | 0 | 112.2 | K287 F289 N294 | K287-M292 HydrophobicContact CD-CE 3.66Å; K287-M292 HydrophobicContact CG-CE 4.46Å; F289-M292 HydrophobicContact CD1-CE 3.82Å; F289-M292 HydrophobicContact CD1-CG 4.34Å; F289-M292 HydrophobicContact CD1-SD 3.46Å; F289-M292 WeakPolarHBondContact CD1-SD 3.32Å; F289-M292 HydrophobicContact CE1-CE 3.69Å; F289-M292 HydrophobicContact CE1-SD 3.9Å; F289-M292 WeakPolarHBondContact O-CB 3.42Å; F289-M292 PolarHBondContact O-N 3.44Å; M292-N294 PolarHBondContact O-N 3.43Å |
| 293 | G | 79.9 | Confident | 93.3 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 93% | 0.928 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -10.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 294 | N | 83.1 | Confident | 93.3 | Very high | 48 Ų | 48 | 44.5 Ų | 44.5 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -111.4 | 131.6 | 172.5 | -72.4 | -64.9 | 0 | 0 | 0 | 109.6 | L291 M292 V296 T310 | L291-N294 PolarHBondContact O-N 3.25Å; M292-N294 PolarHBondContact O-N 3.43Å; N294-V296 PolarHBondContact O-N 3.04Å; N294-V296 VanDerWaalsContact O-N 3.16Å; N294-T310 HydrophobicContact CB-CG2 3.61Å |
| 295 | T | 89.4 | Confident | 93.3 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | trans | -79.5 | 98.6 | 171.9 | -53.5 | 0 | 0 | 0 | 0 | 109.2 | T297 | T295-T297 HydrophobicContact CG2-CG2 4.48Š| ||
| 296 | V | 93.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | trans | -70.9 | 137.1 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | L257 G261 V263 L291 N294 Q298 I299 A308 F309 | L257-V296 HydrophobicContact CD1-CB 4.04Å; L257-V296 HydrophobicContact CD1-CG1 3.95Å; G261-V296 WeakPolarHBondContact CA-O 3.42Å; G261-V296 WeakPolarHBondContact O-CB 3.41Å; G261-V296 PolarHBondContact O-N 3.33Å; V263-V296 HydrophobicContact CG2-CB 3.81Å; V263-V296 HydrophobicContact CG2-CG1 3.71Å; V263-V296 HydrophobicContact CG2-CG2 3.84Å; L291-V296 HydrophobicContact CB-CG2 4.19Å; L291-V296 HydrophobicContact CD1-CG2 4.38Å; N294-V296 PolarHBondContact O-N 3.04Å; N294-V296 VanDerWaalsContact O-N 3.16Å; V296-Q298 WeakPolarHBondContact CG1-O 3.35Å; V296-I299 HydrophobicContact CG1-CG2 3.98Å; V296-A308 HydrophobicContact CG1-CB 4.04Å; V296-F309 WeakPolarHBondContact CA-O 3.36Å | ||
| 297 | T | 91.9 | Very high | 93.4 | Very high | 34 Ų | 34 | 36.2 Ų | 36.2 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | trans | -121.9 | -17.2 | 179.8 | 60.8 | 0 | 0 | 0 | 0 | 114 | L257 T295 F309 P311 | L257-T297 WeakPolarHBondContact CD2-O 3.37Å; T295-T297 HydrophobicContact CG2-CG2 4.48Å; T297-F309 PolarHBondContact N-O 3.25Å; T297-P311 HydrophobicContact CG2-CG 3.55Å; T297-P311 VanDerWaalsContact OG1-CD 3.24Å; T297-P311 WeakPolarHBondContact OG1-CD 3.27Å; T297-P311 WeakPolarHBondContact OG1-CG 3.34Å | ||
| 298 | Q | 94.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 33.3 Ų | 33.3 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 142 | 176.2 | -49.6 | -177.4 | 16.6 | 0 | 0 | 110.1 | V296 A308 F309 K363 R364 I365 L388 | V296-Q298 WeakPolarHBondContact CG1-O 3.35Å; Q298-A308 CarbonylContact O-C 3.54Å; Q298-A308 WeakPolarHBondContact O-CA 3.44Å; Q298-F309 HydrophobicContact CB-CB 4.12Å; Q298-F309 HydrophobicContact CG-CD1 4.24Å; Q298-F309 PolarHBondContact O-N 3.01Å; Q298-K363 PolarHBondContact NE2-O 3.26Å; Q298-R364 VanDerWaalsContact OE1-CA 3.23Å; Q298-I365 HydrophobicContact CB-CD1 3.95Å; Q298-I365 HydrophobicContact CB-CG1 3.86Å; Q298-L388 HydrophobicContact CG-CD1 3.92Å; Q298-L388 HydrophobicContact CG-CD2 4.09Å |
| 299 | I | 97.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.9 | 170.2 | 57.9 | 169.7 | 0 | 0 | 0 | 109 | Y246 A255 L257 V263 V296 L307 A308 | Y246-I299 HydrophobicContact CD1-CD1 4.18Å; Y246-I299 HydrophobicContact CD1-CG1 3.68Å; Y246-I299 HydrophobicContact CE1-CG1 4.12Å; Y246-I299 WeakPolarHBondContact CE1-O 3.42Å; A255-I299 HydrophobicContact CB-CD1 3.89Å; L257-I299 HydrophobicContact CB-CD1 3.79Å; L257-I299 HydrophobicContact CB-CG1 4.05Å; V263-I299 HydrophobicContact CG1-CG2 4.25Å; V263-I299 HydrophobicContact CG2-CG2 3.9Å; V296-I299 HydrophobicContact CG1-CG2 3.98Å; I299-L307 VanDerWaalsContact CA-O 3.28Å; I299-L307 WeakPolarHBondContact CA-O 3Å; I299-A308 HydrophobicContact CG2-CB 4.32Å |
| 300 | S | 97.3 | Very high | 93.3 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 132.4 | 173.7 | -167.1 | 0 | 0 | 0 | 0 | 110.2 | L307 A367 | S300-L307 PolarHBondContact N-O 3.49Å; S300-L307 PolarHBondContact O-N 3.44Å; S300-A367 PolarHBondContact OG-N 3.28Å |
| 301 | C | 97.8 | Very high | 93 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.6 | -177.7 | -66.1 | 0 | 0 | 0 | 0 | 109.2 | S248 C249 A255 | S248-C301 PolarHBondContact O-SG 3.07Å; S248-C301 WeakPolarHBondContact OG-CB 3.39Å; S248-C301 PolarHBondContact OG-N 3.45Å; S248-C301 PolarHBondContact OG-SG 3.06Å; C249-C301 VanDerWaalsContact C-CB 3.44Å; C249-C301 WeakPolarHBondContact O-CB 3.37Å; A255-C301 VanDerWaalsContact CB-SG 3.55Å |
| 302 | G | 96.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -88.1 | -162.2 | 162 | 0 | 0 | 0 | 0 | 0 | 111 | G250 Q304 H305 | G250-G302 WeakPolarHBondContact CA-O 3.5Å; G302-Q304 PolarHBondContact O-N 3.22Å; G302-H305 VanDerWaalsContact CA-CE1 3.49Å; G302-H305 WeakPolarHBondContact CA-CE1 3.49Å; G302-H305 PolarHBondContact N-O 3.43Å | ||
| 303 | R | 96.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 24.7 Ų | 24.7 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -57.7 | -54.4 | -179.5 | -174.3 | -171.9 | 170 | -126.8 | -14.9 | 111.5 | E251 G369 | E251-R303 HydrophobicContact CB-CG 3.98Å; E251-R303 WeakPolarHBondContact CB-O 3.43Å; E251-R303 PolarHBondContact N-O 3.27Å; E251-R303 IonicContact OE1-NE 3.9Å; E251-R303 IonicContact OE1-NH2 3.79Å; E251-R303 WeakPolarHBondContact OE2-CG 3.49Å; E251-R303 IonicContact OE2-CZ 3.38Å; E251-R303 VanDerWaalsContact OE2-CZ 3.25Å; E251-R303 IonicContact OE2-NE 2.65Å; E251-R303 PolarHBondContact OE2-NE 2.91Å; E251-R303 IonicContact OE2-NH2 3Å; E251-R303 PolarHBondContact OE2-NH2 3.21Å; E251-R303 VanDerWaalsContact OE2-NH2 3.09Å; R303-G369 WeakPolarHBondContact CB-O 3.5Å; R303-G369 PolarHBondContact N-O 3.36Å |
| 304 | Q | 97.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 20.4 Ų | 20.4 | 10% | 0.098 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -138.5 | 30.2 | -176 | -73.6 | 173.5 | -12.3 | 0 | 0 | 111.8 | Y271 Q273 G302 L321 | Y271-Q304 HydrophobicContact CD2-CB 4.11Å; Y271-Q304 HydrophobicContact CD2-CG 4.09Å; Y271-Q304 HydrophobicContact CE2-CG 4.34Å; Q273-Q304 WeakPolarHBondContact CB-O 3.46Å; G302-Q304 PolarHBondContact O-N 3.22Å; Q304-L321 HydrophobicContact CB-CB 3.87Å; Q304-L321 HydrophobicContact CB-CD2 4.16Å; Q304-L321 WeakPolarHBondContact O-CB 3.39Å; Q304-L321 PolarHBondContact O-N 3.1Å |
| 305 | H | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 162.3 | 175.2 | 69.9 | -73.3 | 0 | 0 | 0 | 111.1 | G302 F319 Q326 L327 S372 | G302-H305 VanDerWaalsContact CA-CE1 3.49Å; G302-H305 WeakPolarHBondContact CA-CE1 3.49Å; G302-H305 PolarHBondContact N-O 3.43Å; H305-F319 CarbonylContact C-O 3.55Å; H305-F319 VanDerWaalsContact CA-O 3.25Å; H305-F319 WeakPolarHBondContact CA-O 3.43Å; H305-F319 WeakPolarHBondContact CB-O 3.49Å; H305-Q326 HydrophobicContact CB-CG 4.26Å; H305-L327 HydrophobicContact CB-CD2 3.86Å; H305-S372 PolarHBondContact NE2-OG 3.21Å |
| 306 | T | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.9 | -179.5 | -55.2 | 0 | 0 | 0 | 0 | 109.1 | H253 A255 Q273 S318 F319 | H253-T306 PolarHBondContact NE2-OG1 3.39Å; A255-T306 HydrophobicContact CB-CG2 4.24Å; Q273-T306 PolarHBondContact O-OG1 3.4Å; T306-S318 WeakPolarHBondContact O-CA 3.41Å; T306-F319 HydrophobicContact CG2-CE1 4.18Å; T306-F319 HydrophobicContact CG2-CE2 3.91Å; T306-F319 HydrophobicContact CG2-CZ 3.54Å; T306-F319 PolarHBondContact N-O 2.86Å; T306-F319 PolarHBondContact O-N 3.41Å |
| 307 | L | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143.9 | 171.3 | -57.3 | -178.1 | 0 | 0 | 0 | 109.7 | W4 I299 S300 Y317 S318 I365 A367 | W4-L307 HydrophobicContact CZ2-CD1 4.18Å; I299-L307 VanDerWaalsContact CA-O 3.28Å; I299-L307 WeakPolarHBondContact CA-O 3Å; S300-L307 PolarHBondContact N-O 3.49Å; S300-L307 PolarHBondContact O-N 3.44Å; L307-Y317 CarbonylContact C-O 3.17Å; L307-Y317 VanDerWaalsContact CA-O 3.27Å; L307-Y317 WeakPolarHBondContact CA-O 3.36Å; L307-S318 VanDerWaalsContact CD2-CB 3.43Å; L307-I365 HydrophobicContact CB-CD1 3.89Å; L307-A367 HydrophobicContact CD1-CB 3.96Å; L307-A367 HydrophobicContact CG-CB 4.26Å |
| 308 | A | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L291 V296 Q298 I299 I316 Y317 | L291-A308 HydrophobicContact CD1-CB 3.97Å; V296-A308 HydrophobicContact CG1-CB 4.04Å; Q298-A308 CarbonylContact O-C 3.54Å; Q298-A308 WeakPolarHBondContact O-CA 3.44Å; I299-A308 HydrophobicContact CG2-CB 4.32Å; A308-I316 CarbonylContact O-C 3.2Å; A308-I316 WeakPolarHBondContact O-CA 3.5Å; A308-Y317 PolarHBondContact N-O 3.05Å; A308-Y317 PolarHBondContact O-N 3.1Å |
| 309 | F | 94.5 | Very high | 93.9 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 4% | 0.044 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.6 | -179.8 | 174.9 | -120.1 | 0 | 0 | 0 | 112.2 | V296 T297 Q298 P311 K315 I316 V362 I365 | V296-F309 WeakPolarHBondContact CA-O 3.36Å; T297-F309 PolarHBondContact N-O 3.25Å; Q298-F309 HydrophobicContact CB-CB 4.12Å; Q298-F309 HydrophobicContact CG-CD1 4.24Å; Q298-F309 PolarHBondContact O-N 3.01Å; F309-P311 HydrophobicContact CD1-CG 4.07Å; F309-P311 HydrophobicContact CE1-CB 4.03Å; F309-P311 HydrophobicContact CE1-CG 3.63Å; F309-P311 HydrophobicContact CZ-CB 4.17Å; F309-P311 HydrophobicContact CZ-CG 4.22Å; F309-K315 WeakPolarHBondContact CD2-O 3.27Å; F309-I316 HydrophobicContact CD2-CG1 3.85Å; F309-V362 HydrophobicContact CD1-CG1 4.4Å; F309-V362 HydrophobicContact CD2-CB 4.17Å; F309-V362 HydrophobicContact CD2-CG1 4.1Å; F309-V362 HydrophobicContact CE1-CB 4.23Å; F309-V362 HydrophobicContact CE1-CG1 4.31Å; F309-V362 HydrophobicContact CE2-CB 3.6Å; F309-V362 HydrophobicContact CE2-CG1 4.03Å; F309-V362 HydrophobicContact CE2-CG2 3.98Å; F309-V362 HydrophobicContact CG-CG1 4.3Å; F309-V362 HydrophobicContact CZ-CB 3.64Å; F309-V362 HydrophobicContact CZ-CG1 4.14Å; F309-V362 HydrophobicContact CZ-CG2 4.45Å; F309-I365 HydrophobicContact CB-CD1 4.03Å; F309-I365 HydrophobicContact CB-CG2 4.21Å |
| 310 | T | 91.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 104.2 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | N294 A312 C313 G314 K315 | N294-T310 HydrophobicContact CB-CG2 3.61Å; T310-A312 VanDerWaalsContact C-N 3.32Å; T310-A312 HydrophobicContact CG2-CB 4.36Å; T310-A312 PolarHBondContact O-N 2.95Å; T310-C313 WeakPolarHBondContact CG2-SG 3.49Å; T310-C313 PolarHBondContact O-N 3.26Å; T310-G314 PolarHBondContact O-N 3.02Å; T310-K315 PolarHBondContact N-O 3.04Å; T310-K315 PolarHBondContact O-N 2.88Å |
| 311 | P | 85.9 | Confident | 94 | Very high | 25 Ų | 25 | 17.8 Ų | 17.8 | 16% | 0.162 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -33.7 | -176.8 | -20.9 | 30.5 | 0 | 0 | 0 | 114 | T297 F309 C313 G314 S348 | T297-P311 HydrophobicContact CG2-CG 3.55Å; T297-P311 VanDerWaalsContact OG1-CD 3.24Å; T297-P311 WeakPolarHBondContact OG1-CD 3.27Å; T297-P311 WeakPolarHBondContact OG1-CG 3.34Å; F309-P311 HydrophobicContact CD1-CG 4.07Å; F309-P311 HydrophobicContact CE1-CB 4.03Å; F309-P311 HydrophobicContact CE1-CG 3.63Å; F309-P311 HydrophobicContact CZ-CB 4.17Å; F309-P311 HydrophobicContact CZ-CG 4.22Å; P311-C313 VanDerWaalsContact C-N 3.26Å; P311-C313 PolarHBondContact O-N 3.38Å; P311-G314 PolarHBondContact O-N 3.21Å; P311-S348 WeakPolarHBondContact CB-OG 3.27Å; P311-S348 WeakPolarHBondContact O-CB 3.33Å; P311-S348 PolarHBondContact O-N 3.46Å; P311-S348 PolarHBondContact O-OG 2.98Å |
| 312 | A | 82.9 | Confident | 93.9 | Very high | 71 Ų | 71 | 17.5 Ų | 17.5 | 59% | 0.587 | 10% | 0.096 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T310 | T310-A312 VanDerWaalsContact C-N 3.32Å; T310-A312 HydrophobicContact CG2-CB 4.36Å; T310-A312 PolarHBondContact O-N 2.95Å |
| 313 | C | 83.1 | Confident | 93.8 | Very high | 36 Ų | 36 | 18.9 Ų | 18.9 | 24% | 0.243 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 1.5 | 176.4 | 62.3 | 0 | 0 | 0 | 0 | 113.3 | T310 P311 K315 | T310-C313 WeakPolarHBondContact CG2-SG 3.49Å; T310-C313 PolarHBondContact O-N 3.26Å; P311-C313 VanDerWaalsContact C-N 3.26Å; P311-C313 PolarHBondContact O-N 3.38Å; C313-K315 HydrophobicContact CB-CD 4.42Å; C313-K315 HydrophobicContact CB-CG 4.39Å; C313-K315 PolarHBondContact O-N 3.26Å; C313-K315 VanDerWaalsContact O-N 3.11Å |
| 314 | G | 84.3 | Confident | 93.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | T310 P311 W345 A346 | T310-G314 PolarHBondContact O-N 3.02Å; P311-G314 PolarHBondContact O-N 3.21Å; G314-W345 WeakPolarHBondContact O-CB 3.26Å; G314-A346 WeakPolarHBondContact CA-O 3.32Å |
| 315 | K | 89.8 | Confident | 93.6 | Very high | 97 Ų | 97 | 17.3 Ų | 17.3 | 42% | 0.422 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 137.4 | -169.8 | -67.2 | 175.1 | -175.4 | 171.7 | 0 | 112 | F309 T310 C313 Y317 | F309-K315 WeakPolarHBondContact CD2-O 3.27Å; T310-K315 PolarHBondContact N-O 3.04Å; T310-K315 PolarHBondContact O-N 2.88Å; C313-K315 HydrophobicContact CB-CD 4.42Å; C313-K315 HydrophobicContact CB-CG 4.39Å; C313-K315 PolarHBondContact O-N 3.26Å; C313-K315 VanDerWaalsContact O-N 3.11Å; K315-Y317 HydrophobicContact CB-CD2 4.35Å; K315-Y317 HydrophobicContact CB-CE2 3.73Å |
| 316 | I | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.8 | 161.4 | -53.8 | 172.2 | 0 | 0 | 0 | 107.5 | A308 F309 P340 V341 W345 V362 I365 A374 | A308-I316 CarbonylContact O-C 3.2Å; A308-I316 WeakPolarHBondContact O-CA 3.5Å; F309-I316 HydrophobicContact CD2-CG1 3.85Å; I316-P340 WeakPolarHBondContact O-CA 3.44Å; I316-V341 HydrophobicContact CB-CB 4.11Å; I316-V341 HydrophobicContact CB-CG2 3.93Å; I316-V341 HydrophobicContact CG2-CB 4.35Å; I316-V341 HydrophobicContact CG2-CG2 3.64Å; I316-V341 WeakPolarHBondContact O-CG2 3.33Å; I316-V341 PolarHBondContact O-N 2.74Å; I316-W345 HydrophobicContact CD1-CD2 4.41Å; I316-W345 HydrophobicContact CD1-CE3 4.3Å; I316-W345 HydrophobicContact CD1-CH2 3.81Å; I316-W345 HydrophobicContact CD1-CZ2 3.92Å; I316-W345 HydrophobicContact CD1-CZ3 3.99Å; I316-V362 HydrophobicContact CD1-CG1 4.16Å; I316-V362 HydrophobicContact CD1-CG2 3.89Å; I316-V362 HydrophobicContact CG1-CG1 4.49Å; I316-V362 HydrophobicContact CG1-CG2 4.19Å; I316-I365 HydrophobicContact CD1-CG2 3.88Å; I316-I365 HydrophobicContact CG1-CG2 4.18Å; I316-I365 HydrophobicContact CG2-CG2 4.41Å; I316-A374 HydrophobicContact CD1-CB 3.87Å |
| 317 | Y | 96 | Very high | 93.4 | Very high | 32 Ų | 32 | 17.3 Ų | 17.3 | 13% | 0.125 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 142.2 | 172.5 | -65.4 | -91.7 | 0 | 0 | 0 | 110 | L291 L307 A308 K315 P338 S339 | L291-Y317 HydrophobicContact CD2-CD1 4.34Å; L291-Y317 HydrophobicContact CD2-CD2 3.91Å; L291-Y317 HydrophobicContact CD2-CE2 4.44Å; L291-Y317 HydrophobicContact CD2-CG 3.86Å; L307-Y317 CarbonylContact C-O 3.17Å; L307-Y317 VanDerWaalsContact CA-O 3.27Å; L307-Y317 WeakPolarHBondContact CA-O 3.36Å; A308-Y317 PolarHBondContact N-O 3.05Å; A308-Y317 PolarHBondContact O-N 3.1Å; K315-Y317 HydrophobicContact CB-CD2 4.35Å; K315-Y317 HydrophobicContact CB-CE2 3.73Å; Y317-P338 HydrophobicContact CD1-CB 4.09Å; Y317-P338 HydrophobicContact CG-CB 4.41Å; Y317-S339 CarbonylContact C-O 3.58Å; Y317-S339 WeakPolarHBondContact CA-O 3.24Å |
| 318 | S | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.8 | 177.9 | 65 | 0 | 0 | 0 | 0 | 111.1 | T306 L307 L327 S339 | T306-S318 WeakPolarHBondContact O-CA 3.41Å; L307-S318 VanDerWaalsContact CD2-CB 3.43Å; S318-L327 WeakPolarHBondContact CB-O 3.32Å; S318-L327 PolarHBondContact OG-O 2.86Å; S318-S339 PolarHBondContact N-O 3.28Å; S318-S339 PolarHBondContact O-N 3.28Å; S318-S339 PolarHBondContact O-OG 2.98Å; S318-S339 PolarHBondContact OG-O 3.48Å |
| 319 | F | 98 | Very high | 93 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 153.1 | 178.1 | 48.7 | -82.8 | 0 | 0 | 0 | 111.3 | Q273 G275 L291 H305 T306 P338 | Q273-F319 WeakPolarHBondContact O-CD2 2.92Å; Q273-F319 WeakPolarHBondContact O-CE2 3.45Å; G275-F319 VanDerWaalsContact N-CD2 3.26Å; L291-F319 HydrophobicContact CD1-CE1 4.4Å; H305-F319 CarbonylContact C-O 3.55Å; H305-F319 VanDerWaalsContact CA-O 3.25Å; H305-F319 WeakPolarHBondContact CA-O 3.43Å; H305-F319 WeakPolarHBondContact CB-O 3.49Å; T306-F319 HydrophobicContact CG2-CE1 4.18Å; T306-F319 HydrophobicContact CG2-CE2 3.91Å; T306-F319 HydrophobicContact CG2-CZ 3.54Å; T306-F319 PolarHBondContact N-O 2.86Å; T306-F319 PolarHBondContact O-N 3.41Å; F319-P338 HydrophobicContact CD1-CB 3.96Å; F319-P338 HydrophobicContact CD1-CG 3.78Å; F319-P338 HydrophobicContact CE1-CB 4.33Å; F319-P338 HydrophobicContact CE1-CG 3.91Å; F319-P338 HydrophobicContact CG-CG 4.38Å |
| 320 | G | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.9 | -147.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y271 G322 N334 R335 | Y271-G320 CarbonylContact O-C 3.13Å; Y271-G320 WeakPolarHBondContact O-CA 3.48Å; G320-G322 PolarHBondContact O-N 2.88Å; G320-N334 CarbonylContact O-C 3.54Å; G320-N334 VanDerWaalsContact O-CA 3.26Å; G320-N334 WeakPolarHBondContact O-CA 3.33Å; G320-R335 PolarHBondContact N-O 2.89Å; G320-R335 PolarHBondContact O-N 3.1Å |
| 321 | L | 97.6 | Very high | 92.8 | Very high | 21 Ų | 21 | 27 Ų | 27 | 11% | 0.11 | 15% | 0.15 | C | C | . | . | trans | -61.7 | 129.3 | 178.5 | -178.5 | 64 | 0 | 0 | 0 | 110.4 | Y271 Q304 Q326 L327 N334 | Y271-L321 HydrophobicContact CD1-CD1 3.73Å; Y271-L321 HydrophobicContact CE1-CD1 4.01Å; Y271-L321 HydrophobicContact CG-CB 4.28Å; Y271-L321 HydrophobicContact CG-CD1 4.27Å; Q304-L321 HydrophobicContact CB-CB 3.87Å; Q304-L321 HydrophobicContact CB-CD2 4.16Å; Q304-L321 WeakPolarHBondContact O-CB 3.39Å; Q304-L321 PolarHBondContact O-N 3.1Å; L321-Q326 WeakPolarHBondContact O-CG 3.43Å; L321-Q326 PolarHBondContact O-NE2 3.38Å; L321-Q326 PolarHBondContact O-OE1 3.3Å; L321-L327 WeakPolarHBondContact O-CD2 3.44Å; L321-L327 WeakPolarHBondContact O-CG 3.48Å; L321-N334 WeakPolarHBondContact CA-OD1 3.33Å; L321-N334 WeakPolarHBondContact CD1-OD1 3.25Å | ||
| 322 | G | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -115.1 | -5.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | G320 N324 G325 Q326 T332 N334 | G320-G322 PolarHBondContact O-N 2.88Å; G322-N324 PolarHBondContact O-N 2.84Å; G322-G325 PolarHBondContact O-N 2.59Å; G322-Q326 PolarHBondContact O-OE1 3.26Å; G322-T332 CarbonylContact C-O 3.54Å; G322-T332 CarbonylContact O-C 3.41Å; G322-T332 WeakPolarHBondContact O-CA 3.45Å; G322-N334 PolarHBondContact N-OD1 3.34Å | ||
| 323 | G | 95.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 32% | 0.32 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T332 | G323-T332 WeakPolarHBondContact CA-O 3.09Å; G323-T332 PolarHBondContact N-O 2.86Å |
| 324 | N | 94.9 | Very high | 94.4 | Very high | 41 Ų | 41 | 30.6 Ų | 30.6 | 22% | 0.219 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 16.8 | 179.2 | -68.6 | -28.8 | 0 | 0 | 0 | 112.5 | G5 N6 I21 G322 Q326 D370 | G5-N324 CarbonylContact C-O 3.09Å; G5-N324 WeakPolarHBondContact CA-O 3.04Å; N6-N324 HydrophobicContact CB-CB 3.97Å; N6-N324 PolarHBondContact N-O 3.24Å; I21-N324 VanDerWaalsContact CG2-C 3.47Å; I21-N324 WeakPolarHBondContact CG2-O 3.41Å; G322-N324 PolarHBondContact O-N 2.84Å; N324-Q326 VanDerWaalsContact C-OE1 3.31Å; N324-Q326 PolarHBondContact O-N 3.42Å; N324-D370 HydrophobicContact CB-CB 4.06Å; N324-D370 PolarHBondContact ND2-OD2 2.84Å |
| 325 | G | 94.4 | Very high | 95 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 74.9 | 3.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | G322 L327 G328 | G322-G325 PolarHBondContact O-N 2.59Å; G325-L327 PolarHBondContact O-N 2.79Å; G325-G328 PolarHBondContact O-N 3.18Å |
| 326 | Q | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -13.8 | -172 | 63.7 | -95 | 69.8 | 0 | 0 | 114.9 | W4 H305 L321 G322 N324 D370 S372 | W4-Q326 PolarHBondContact NE1-O 3.47Å; H305-Q326 HydrophobicContact CB-CG 4.26Å; L321-Q326 WeakPolarHBondContact O-CG 3.43Å; L321-Q326 PolarHBondContact O-NE2 3.38Å; L321-Q326 PolarHBondContact O-OE1 3.3Å; G322-Q326 PolarHBondContact O-OE1 3.26Å; N324-Q326 VanDerWaalsContact C-OE1 3.31Å; N324-Q326 PolarHBondContact O-N 3.42Å; Q326-D370 WeakPolarHBondContact CB-O 3.33Å; Q326-D370 PolarHBondContact NE2-OD1 3.47Å; Q326-S372 PolarHBondContact O-OG 3.08Å |
| 327 | L | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -20.4 | 175.2 | -57.5 | -176.5 | 0 | 0 | 0 | 113 | H305 S318 L321 G325 T329 R335 | H305-L327 HydrophobicContact CB-CD2 3.86Å; S318-L327 WeakPolarHBondContact CB-O 3.32Å; S318-L327 PolarHBondContact OG-O 2.86Å; L321-L327 WeakPolarHBondContact O-CD2 3.44Å; L321-L327 WeakPolarHBondContact O-CG 3.48Å; G325-L327 PolarHBondContact O-N 2.79Å; L327-T329 VanDerWaalsContact C-N 3.28Å; L327-T329 HydrophobicContact CB-CG2 4.07Å; L327-T329 PolarHBondContact O-N 3.34Å; L327-R335 HydrophobicContact CD1-CB 3.83Å; L327-R335 HydrophobicContact CD1-CG 3.58Å |
| 328 | G | 94.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | 66.4 | 25.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | W4 V23 G325 K342 | W4-G328 VanDerWaalsContact CD1-CA 3.42Å; W4-G328 VanDerWaalsContact CD1-N 3.32Å; V23-G328 CarbonylContact O-C 2.92Å; V23-G328 WeakPolarHBondContact O-CA 3.38Å; G325-G328 PolarHBondContact O-N 3.18Å; G328-K342 PolarHBondContact O-N 3.24Å | ||
| 329 | T | 92.7 | Very high | 95.2 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -99 | 14.4 | -174.9 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | V23 L327 A331 S339 | V23-T329 PolarHBondContact O-N 3.2Å; L327-T329 VanDerWaalsContact C-N 3.28Å; L327-T329 HydrophobicContact CB-CG2 4.07Å; L327-T329 PolarHBondContact O-N 3.34Å; T329-A331 PolarHBondContact O-N 2.89Å; T329-S339 WeakPolarHBondContact CG2-OG 3.18Å |
| 330 | R | 90.5 | Very high | 95.1 | Very high | 167 Ų | 167 | 39.3 Ų | 39.3 | 63% | 0.63 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 61.1 | 20.1 | -170.4 | -59.4 | 177.3 | 173.4 | 173.2 | -0.2 | 114.8 | V23 E24 K342 | V23-R330 WeakPolarHBondContact O-CA 3.15Å; V23-R330 PolarHBondContact O-N 2.8Å; E24-R330 HydrophobicContact CB-CG 4.07Å; E24-R330 WeakPolarHBondContact OE2-CG 3.33Å; E24-R330 IonicContact OE2-CZ 2.69Å; E24-R330 IonicContact OE2-NE 2.79Å; E24-R330 PolarHBondContact OE2-NE 3.47Å; E24-R330 IonicContact OE2-NH2 3.82Å; E24-R330 PolarHBondContact OE2-NH2 2.81Å; R330-K342 HydrophobicContact CG-CB 4.4Å; R330-K342 HydrophobicContact CG-CG 4.1Å |
| 331 | A | 90.9 | Very high | 94.9 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -143.8 | 154.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | T329 | T329-A331 PolarHBondContact O-N 2.89Š|
| 332 | T | 94.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 43.4 Ų | 43.4 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | trans | -99.9 | 9.6 | 176.5 | 52.5 | 0 | 0 | 0 | 0 | 113 | I21 V23 G322 G323 | I21-T332 HydrophobicContact CG2-CG2 4.44Å; V23-T332 HydrophobicContact CG1-CG2 3.78Å; G322-T332 CarbonylContact C-O 3.54Å; G322-T332 CarbonylContact O-C 3.41Å; G322-T332 WeakPolarHBondContact O-CA 3.45Å; G323-T332 WeakPolarHBondContact CA-O 3.09Å; G323-T332 PolarHBondContact N-O 2.86Å | ||
| 333 | C | 94.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -81.7 | 146 | 179.3 | 61.8 | 0 | 0 | 0 | 0 | 112 | ||
| 334 | N | 96.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 47 Ų | 47 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | trans | -65.5 | 147.5 | 173.4 | -59.6 | -18.7 | 0 | 0 | 0 | 110.7 | G320 L321 G322 | G320-N334 CarbonylContact O-C 3.54Å; G320-N334 VanDerWaalsContact O-CA 3.26Å; G320-N334 WeakPolarHBondContact O-CA 3.33Å; L321-N334 WeakPolarHBondContact CA-OD1 3.33Å; L321-N334 WeakPolarHBondContact CD1-OD1 3.25Å; G322-N334 PolarHBondContact N-OD1 3.34Å | ||
| 335 | R | 97.1 | Very high | 92.5 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.6 | 177.9 | -66.2 | -68.8 | -175.3 | 176.8 | -0.9 | 109.5 | G320 L327 S337 S339 | G320-R335 PolarHBondContact N-O 2.89Å; G320-R335 PolarHBondContact O-N 3.1Å; L327-R335 HydrophobicContact CD1-CB 3.83Å; L327-R335 HydrophobicContact CD1-CG 3.58Å; R335-S337 VanDerWaalsContact C-N 3.29Å; R335-S339 WeakPolarHBondContact CG-OG 3.31Å |
| 336 | K | 96.3 | Very high | 91.7 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 42% | 0.422 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -12.6 | 178.9 | -55.8 | -179.9 | -173.7 | -174.5 | 0 | 113.1 | G275 H276 N277 T279 | G275-K336 CarbonylContact C-O 3.26Å; G275-K336 WeakPolarHBondContact CA-O 3.46Å; H276-K336 PolarHBondContact N-O 3.19Å; N277-K336 VanDerWaalsContact CA-O 3.28Å; N277-K336 WeakPolarHBondContact CA-O 3.24Å; N277-K336 PolarHBondContact N-O 3.41Å; T279-K336 HydrophobicContact CG2-CD 3.91Å; T279-K336 HydrophobicContact CG2-CG 4.22Å |
| 337 | S | 95.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.3 | -174.8 | 28.4 | 0 | 0 | 0 | 0 | 109.8 | E290 R335 S339 | E290-S337 WeakPolarHBondContact OE1-CB 3.34Å; E290-S337 WeakPolarHBondContact OE2-CB 3.34Å; R335-S337 VanDerWaalsContact C-N 3.29Å; S337-S339 PolarHBondContact O-N 2.99Å; S337-S339 VanDerWaalsContact O-N 3.15Å |
| 338 | P | 96.4 | Very high | 88.9 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 10% | 0.104 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -45.8 | 117.4 | 171.2 | -30.5 | 32.8 | 0 | 0 | 0 | 113.3 | G275 V288 E290 L291 Y317 F319 | G275-P338 WeakPolarHBondContact O-CD 3.49Å; V288-P338 HydrophobicContact CG1-CG 3.7Å; E290-P338 HydrophobicContact CB-CG 4.16Å; E290-P338 VanDerWaalsContact OE2-CD 3.26Å; E290-P338 WeakPolarHBondContact OE2-CD 3.38Å; L291-P338 HydrophobicContact CD1-CG 4.23Å; L291-P338 HydrophobicContact CD2-CB 3.89Å; L291-P338 HydrophobicContact CD2-CG 4.16Å; L291-P338 HydrophobicContact CG-CB 4.19Å; L291-P338 HydrophobicContact CG-CG 3.88Å; Y317-P338 HydrophobicContact CD1-CB 4.09Å; Y317-P338 HydrophobicContact CG-CB 4.41Å; F319-P338 HydrophobicContact CD1-CB 3.96Å; F319-P338 HydrophobicContact CD1-CG 3.78Å; F319-P338 HydrophobicContact CE1-CB 4.33Å; F319-P338 HydrophobicContact CE1-CG 3.91Å; F319-P338 HydrophobicContact CG-CG 4.38Å |
| 339 | S | 94.8 | Very high | 87.1 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.4 | -179.2 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | Y317 S318 T329 R335 S337 V341 | Y317-S339 CarbonylContact C-O 3.58Å; Y317-S339 WeakPolarHBondContact CA-O 3.24Å; S318-S339 PolarHBondContact N-O 3.28Å; S318-S339 PolarHBondContact O-N 3.28Å; S318-S339 PolarHBondContact O-OG 2.98Å; S318-S339 PolarHBondContact OG-O 3.48Å; T329-S339 WeakPolarHBondContact CG2-OG 3.18Å; R335-S339 WeakPolarHBondContact CG-OG 3.31Å; S337-S339 PolarHBondContact O-N 2.99Å; S337-S339 VanDerWaalsContact O-N 3.15Å; S339-V341 PolarHBondContact O-N 2.94Å |
| 340 | P | 94.1 | Very high | 85.2 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 126.6 | -176.2 | 26.7 | -33.5 | 0 | 0 | 0 | 111.2 | I316 | I316-P340 WeakPolarHBondContact O-CA 3.44Å |
| 341 | V | 94.4 | Very high | 83.2 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 132.4 | 170.5 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | W4 P25 I316 S339 W345 | W4-V341 HydrophobicContact CZ2-CG1 4.03Å; W4-V341 HydrophobicContact CZ2-CG2 4.47Å; P25-V341 HydrophobicContact CG-CG1 3.64Å; I316-V341 HydrophobicContact CB-CB 4.11Å; I316-V341 HydrophobicContact CB-CG2 3.93Å; I316-V341 HydrophobicContact CG2-CB 4.35Å; I316-V341 HydrophobicContact CG2-CG2 3.64Å; I316-V341 WeakPolarHBondContact O-CG2 3.33Å; I316-V341 PolarHBondContact O-N 2.74Å; S339-V341 PolarHBondContact O-N 2.94Å; V341-W345 HydrophobicContact CB-CZ2 4.42Å; V341-W345 HydrophobicContact CG1-CZ2 3.91Å; V341-W345 PolarHBondContact O-NE1 3.22Å |
| 342 | K | 88.6 | Confident | 81 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 131.9 | 179.7 | -65.9 | -61.9 | -176.1 | -179.7 | 0 | 110.3 | P25 G328 R330 | P25-K342 WeakPolarHBondContact CD-O 3.16Å; P25-K342 WeakPolarHBondContact CG-O 3.43Å; G328-K342 PolarHBondContact O-N 3.24Å; R330-K342 HydrophobicContact CG-CB 4.4Å; R330-K342 HydrophobicContact CG-CG 4.1Å |
| 343 | G | 82.4 | Confident | 78.8 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 170.9 | 164.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | W345 | G343-W345 PolarHBondContact O-N 3.48Š|
| 344 | P | 78.9 | Confident | 76.5 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | trans | -81.8 | 59.8 | -179.6 | 35.7 | -36.2 | 0 | 0 | 0 | 110.7 | Q358 C360 | P344-Q358 WeakPolarHBondContact CB-O 3.46Å; P344-C360 HydrophobicContact CG-CB 4.43Å; P344-C360 WeakPolarHBondContact O-CB 3.37Å; P344-C360 PolarHBondContact O-N 3.05Å | ||
| 345 | W | 84.3 | Confident | 74 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 130.9 | -173.8 | -41.4 | 115.4 | 0 | 0 | 0 | 112.4 | L2 P25 G314 I316 V341 G343 C360 V362 A374 | L2-W345 HydrophobicContact CD1-CH2 3.57Å; L2-W345 HydrophobicContact CD1-CZ3 3.48Å; L2-W345 VanDerWaalsContact CD1-CZ3 3.48Å; P25-W345 HydrophobicContact CB-CH2 4.28Å; P25-W345 HydrophobicContact CB-CZ2 4.4Å; P25-W345 HydrophobicContact CG-CH2 4.16Å; P25-W345 HydrophobicContact CG-CZ2 3.85Å; G314-W345 WeakPolarHBondContact O-CB 3.26Å; I316-W345 HydrophobicContact CD1-CD2 4.41Å; I316-W345 HydrophobicContact CD1-CE3 4.3Å; I316-W345 HydrophobicContact CD1-CH2 3.81Å; I316-W345 HydrophobicContact CD1-CZ2 3.92Å; I316-W345 HydrophobicContact CD1-CZ3 3.99Å; V341-W345 HydrophobicContact CB-CZ2 4.42Å; V341-W345 HydrophobicContact CG1-CZ2 3.91Å; V341-W345 PolarHBondContact O-NE1 3.22Å; G343-W345 PolarHBondContact O-N 3.48Å; W345-C360 HydrophobicContact CE3-CB 4.46Å; W345-V362 HydrophobicContact CD2-CG2 4.3Å; W345-V362 HydrophobicContact CE3-CG2 3.48Å; W345-V362 VanDerWaalsContact CE3-CG2 3.48Å; W345-V362 HydrophobicContact CZ3-CG2 3.84Å; W345-A374 HydrophobicContact CH2-CB 4.06Å; W345-A374 HydrophobicContact CZ3-CB 4.13Å |
| 346 | A | 76.4 | Confident | 71.9 | Confident | 12 Ų | 12 | 78.6 Ų | 78.6 | 10% | 0.099 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 144.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G314 C360 W361 | G314-A346 WeakPolarHBondContact CA-O 3.32Å; A346-C360 PolarHBondContact N-O 3.44Å; A346-W361 HydrophobicContact CB-CD2 3.72Å; A346-W361 HydrophobicContact CB-CE3 4.09Å; A346-W361 HydrophobicContact CB-CG 4.09Å; A346-W361 HydrophobicContact CB-CZ2 4.13Å; A346-W361 HydrophobicContact CB-CZ3 4.43Å |
| 347 | A | 74.2 | Confident | 69.6 | Low | 29 Ų | 29 | 83.3 Ų | 83.3 | 24% | 0.24 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -96 | 142.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C349 W361 | A347-C349 PolarHBondContact O-N 3.28Å; A347-W361 VanDerWaalsContact C-CH2 3.42Å; A347-W361 WeakPolarHBondContact O-CH2 3.48Å; A347-W361 WeakPolarHBondContact O-CZ3 3.23Å |
| 348 | S | 59.9 | Low | 67.8 | Low | 44 Ų | 44 | 89.2 Ų | 89.2 | 31% | 0.308 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -52.8 | -22.8 | -175.8 | -54.4 | 0 | 0 | 0 | 0 | 116.3 | P311 | P311-S348 WeakPolarHBondContact CB-OG 3.27Å; P311-S348 WeakPolarHBondContact O-CB 3.33Å; P311-S348 PolarHBondContact O-N 3.46Å; P311-S348 PolarHBondContact O-OG 2.98Å |
| 349 | C | 55.8 | Low | 66.5 | Low | 110 Ų | 110 | 90 Ų | 90 | 74% | 0.743 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -130.5 | 100.2 | 169.5 | -63.2 | 0 | 0 | 0 | 0 | 108.5 | A347 | A347-C349 PolarHBondContact O-N 3.28Š|
| 350 | P | 53.2 | Low | 65.6 | Low | 92 Ų | 92 | 90 Ų | 90 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | trans | -71.9 | 136.5 | 177.7 | 26.5 | -30.3 | 0 | 0 | 0 | 111 | ||||
| 351 | S | 47.4 | Very low | 65.1 | Low | 92 Ų | 92 | 88.8 Ų | 88.8 | 64% | 0.643 | 49% | 0.485 | S | S | * | . | trans | -72.1 | 145.3 | 155.9 | 48.1 | 0 | 0 | 0 | 0 | 109.1 | E353 | S351-E353 PolarHBondContact O-N 3.49Š| ||
| 352 | E | 46.4 | Very low | 64.6 | Low | 204 Ų | 204 | 89.1 Ų | 89.1 | 95% | 0.953 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -59.6 | 12.8 | -165.4 | -66.2 | -174.1 | 152.9 | 0 | 0 | 118 | ||
| 353 | E | 46.2 | Very low | 64.4 | Low | 181 Ų | 181 | 86.9 Ų | 86.9 | 85% | 0.846 | 48% | 0.477 | S | S | * | . | trans | -133.5 | 49.8 | -172.9 | -67.1 | -171.7 | 158.2 | 0 | 0 | 114.6 | S351 | S351-E353 PolarHBondContact O-N 3.49Š| ||
| 354 | N | 46.8 | Very low | 64.7 | Low | 108 Ų | 108 | 88.8 Ų | 88.8 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -123.1 | 132 | 169.6 | -81 | -31.6 | 0 | 0 | 0 | 111.9 | L356 | N354-L356 PolarHBondContact O-N 3.41Š|
| 355 | D | 45.5 | Very low | 65.4 | Low | 153 Ų | 153 | 86 Ų | 86 | 82% | 0.818 | 45% | 0.454 | S | S | * | . | trans | -50.8 | 104.5 | 172.3 | -80.2 | -34.4 | 0 | 0 | 0 | 110.6 | E357 S359 | D355-E357 PolarHBondContact O-N 3.38Å; D355-S359 PolarHBondContact O-OG 2.99Å | ||
| 356 | L | 51.5 | Low | 65.9 | Low | 156 Ų | 156 | 85.2 Ų | 85.2 | 82% | 0.817 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19 | -173.8 | -80 | 132.7 | 0 | 0 | 0 | 113.4 | N354 Q358 | N354-L356 PolarHBondContact O-N 3.41Å; L356-Q358 PolarHBondContact O-N 3.49Å |
| 357 | E | 49.8 | Very low | 66.9 | Low | 196 Ų | 196 | 85.3 Ų | 85.3 | 92% | 0.916 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -11.7 | -171 | -72.8 | -170.6 | 156.5 | 0 | 0 | 115.5 | D355 | D355-E357 PolarHBondContact O-N 3.38Š|
| 358 | Q | 56.8 | Low | 67.6 | Low | 158 Ų | 158 | 84.3 Ų | 84.3 | 74% | 0.738 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -126.8 | 5.4 | -179.1 | -71.8 | -175.1 | 1.3 | 0 | 0 | 115.4 | P344 L356 | P344-Q358 WeakPolarHBondContact CB-O 3.46Å; L356-Q358 PolarHBondContact O-N 3.49Å |
| 359 | S | 68.1 | Low | 69.1 | Low | 33 Ų | 33 | 82.7 Ų | 82.7 | 23% | 0.231 | 43% | 0.434 | C | S | . | . | trans | -78.3 | 127 | -173.8 | -74.4 | 0 | 0 | 0 | 0 | 112.9 | D355 | D355-S359 PolarHBondContact O-OG 2.99Š| ||
| 360 | C | 77.8 | Confident | 71.1 | Confident | 12 Ų | 12 | 78.2 Ų | 78.2 | 8% | 0.081 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -107.8 | 118.5 | -178.1 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | P344 W345 A346 Y376 | P344-C360 HydrophobicContact CG-CB 4.43Å; P344-C360 WeakPolarHBondContact O-CB 3.37Å; P344-C360 PolarHBondContact O-N 3.05Å; W345-C360 HydrophobicContact CE3-CB 4.46Å; A346-C360 PolarHBondContact N-O 3.44Å; C360-Y376 HydrophobicContact CB-CD2 3.7Å; C360-Y376 HydrophobicContact CB-CE2 4.39Å; C360-Y376 HydrophobicContact CB-CG 4.02Å; C360-Y376 WeakPolarHBondContact SG-CD2 3.46Å; C360-Y376 WeakPolarHBondContact SG-CE2 3.49Å |
| 361 | W | 81.8 | Confident | 73 | Confident | 35 Ų | 35 | 73.9 Ų | 73.9 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 110.3 | 177.9 | -69.6 | 95 | 0 | 0 | 0 | 111.5 | A346 A347 K363 Y376 C377 T380 M385 | A346-W361 HydrophobicContact CB-CD2 3.72Å; A346-W361 HydrophobicContact CB-CE3 4.09Å; A346-W361 HydrophobicContact CB-CG 4.09Å; A346-W361 HydrophobicContact CB-CZ2 4.13Å; A346-W361 HydrophobicContact CB-CZ3 4.43Å; A347-W361 VanDerWaalsContact C-CH2 3.42Å; A347-W361 WeakPolarHBondContact O-CH2 3.48Å; A347-W361 WeakPolarHBondContact O-CZ3 3.23Å; W361-K363 PolarHBondContact O-N 2.87Å; W361-Y376 CarbonylContact O-C 3.03Å; W361-Y376 WeakPolarHBondContact O-CA 3.43Å; W361-Y376 WeakPolarHBondContact O-CB 3.21Å; W361-C377 WeakPolarHBondContact CB-O 3.29Å; W361-C377 PolarHBondContact N-O 3.01Å; W361-C377 PolarHBondContact O-N 3.05Å; W361-T380 HydrophobicContact CZ2-CG2 3.96Å; W361-M385 HydrophobicContact CE3-CE 3.77Å; W361-M385 HydrophobicContact CE3-SD 4.05Å; W361-M385 HydrophobicContact CH2-CE 4.26Å; W361-M385 HydrophobicContact CZ3-CE 3.5Å; W361-M385 HydrophobicContact CZ3-SD 4.39Å |
| 362 | V | 85.6 | Confident | 75.4 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 119.6 | -176.6 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | F309 I316 W345 I365 | F309-V362 HydrophobicContact CD1-CG1 4.4Å; F309-V362 HydrophobicContact CD2-CB 4.17Å; F309-V362 HydrophobicContact CD2-CG1 4.1Å; F309-V362 HydrophobicContact CE1-CB 4.23Å; F309-V362 HydrophobicContact CE1-CG1 4.31Å; F309-V362 HydrophobicContact CE2-CB 3.6Å; F309-V362 HydrophobicContact CE2-CG1 4.03Å; F309-V362 HydrophobicContact CE2-CG2 3.98Å; F309-V362 HydrophobicContact CG-CG1 4.3Å; F309-V362 HydrophobicContact CZ-CB 3.64Å; F309-V362 HydrophobicContact CZ-CG1 4.14Å; F309-V362 HydrophobicContact CZ-CG2 4.45Å; I316-V362 HydrophobicContact CD1-CG1 4.16Å; I316-V362 HydrophobicContact CD1-CG2 3.89Å; I316-V362 HydrophobicContact CG1-CG1 4.49Å; I316-V362 HydrophobicContact CG1-CG2 4.19Å; W345-V362 HydrophobicContact CD2-CG2 4.3Å; W345-V362 HydrophobicContact CE3-CG2 3.48Å; W345-V362 VanDerWaalsContact CE3-CG2 3.48Å; W345-V362 HydrophobicContact CZ3-CG2 3.84Å; V362-I365 HydrophobicContact CG1-CG2 3.91Å |
| 363 | K | 83.4 | Confident | 77.7 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -50 | 176 | -172.8 | 168.6 | -177.1 | 152.2 | 0 | 111.4 | Q298 W361 H375 D384 I387 | Q298-K363 PolarHBondContact NE2-O 3.26Å; W361-K363 PolarHBondContact O-N 2.87Å; K363-H375 HydrophobicContact CB-CB 4.4Å; K363-H375 PolarHBondContact N-O 3.5Å; K363-D384 IonicContact NZ-OD1 2.79Å; K363-D384 PolarHBondContact NZ-OD1 3.41Å; K363-I387 VanDerWaalsContact NZ-CD1 3.27Å |
| 364 | R | 88.6 | Confident | 79.9 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 144.8 | 179.9 | -73.5 | -172 | 179.7 | 157.2 | -0.7 | 112.9 | S37 Q298 Y366 A374 H375 | S37-R364 PolarHBondContact O-NH1 2.94Å; Q298-R364 VanDerWaalsContact OE1-CA 3.23Å; R364-Y366 HydrophobicContact CB-CE2 3.62Å; R364-Y366 WeakPolarHBondContact CD-OH 3.36Å; R364-A374 WeakPolarHBondContact O-CA 3.46Å; R364-H375 HydrophobicContact CB-CB 4.35Å; R364-H375 PolarHBondContact N-O 2.69Å; R364-H375 PolarHBondContact O-N 3.27Å |
| 365 | I | 94.4 | Very high | 81.9 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 143.8 | 170.8 | 63.1 | 173.2 | 0 | 0 | 0 | 111.2 | Q298 L307 F309 I316 V362 F373 | Q298-I365 HydrophobicContact CB-CD1 3.95Å; Q298-I365 HydrophobicContact CB-CG1 3.86Å; L307-I365 HydrophobicContact CB-CD1 3.89Å; F309-I365 HydrophobicContact CB-CD1 4.03Å; F309-I365 HydrophobicContact CB-CG2 4.21Å; I316-I365 HydrophobicContact CD1-CG2 3.88Å; I316-I365 HydrophobicContact CG1-CG2 4.18Å; I316-I365 HydrophobicContact CG2-CG2 4.41Å; V362-I365 HydrophobicContact CG1-CG2 3.91Å; I365-F373 WeakPolarHBondContact CA-O 3.39Å |
| 366 | Y | 95.4 | Very high | 83.7 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.9 | 175.8 | -53.9 | -93.8 | 0 | 0 | 0 | 110.4 | M1 S37 D38 V39 R364 S372 F373 | M1-Y366 HydrophobicContact CE-CD2 4.3Å; M1-Y366 HydrophobicContact CE-CE2 4.23Å; S37-Y366 PolarHBondContact O-OH 3.46Å; D38-Y366 WeakPolarHBondContact OD1-CE1 3.19Å; V39-Y366 HydrophobicContact CB-CD1 3.82Å; V39-Y366 HydrophobicContact CB-CD2 4.09Å; V39-Y366 HydrophobicContact CB-CE1 4.08Å; V39-Y366 HydrophobicContact CB-CE2 4.35Å; V39-Y366 HydrophobicContact CB-CG 3.82Å; V39-Y366 HydrophobicContact CG2-CD1 4.43Å; V39-Y366 HydrophobicContact CG2-CD2 3.94Å; V39-Y366 HydrophobicContact CG2-CE1 4.41Å; V39-Y366 HydrophobicContact CG2-CE2 3.92Å; V39-Y366 HydrophobicContact CG2-CG 4.2Å; R364-Y366 HydrophobicContact CB-CE2 3.62Å; R364-Y366 WeakPolarHBondContact CD-OH 3.36Å; Y366-S372 CarbonylContact O-C 3.25Å; Y366-S372 WeakPolarHBondContact O-CA 3.35Å; Y366-F373 HydrophobicContact CD2-CB 4.43Å; Y366-F373 PolarHBondContact N-O 3.14Å; Y366-F373 PolarHBondContact O-N 3.44Å |
| 367 | A | 95.6 | Very high | 84.8 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S300 L307 Q371 | S300-A367 PolarHBondContact OG-N 3.28Å; L307-A367 HydrophobicContact CD1-CB 3.96Å; L307-A367 HydrophobicContact CG-CB 4.26Å; A367-Q371 WeakPolarHBondContact CA-O 3.39Å |
| 368 | G | 89.1 | Confident | 85.4 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 8% | 0.082 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.9 | 151.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | C41 D370 Q371 | C41-G368 VanDerWaalsContact CB-CA 3.41Å; G368-D370 PolarHBondContact O-N 3.3Å; G368-Q371 PolarHBondContact N-O 3.07Å; G368-Q371 VanDerWaalsContact N-O 3.17Å; G368-Q371 VanDerWaalsContact O-CG 3.26Å; G368-Q371 WeakPolarHBondContact O-CG 3.48Å; G368-Q371 PolarHBondContact O-N 2.95Å; G368-Q371 PolarHBondContact O-NE2 3.48Å; G368-Q371 VanDerWaalsContact O-O 3.12Å; G368-Q371 PolarHBondContact O-OE1 3.11Å; G368-Q371 VanDerWaalsContact O-OE1 3.04Å |
| 369 | G | 93.1 | Very high | 85.5 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -130.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R303 | R303-G369 WeakPolarHBondContact CB-O 3.5Å; R303-G369 PolarHBondContact N-O 3.36Å |
| 370 | D | 95.8 | Very high | 84.7 | Confident | 17 Ų | 17 | 31 Ų | 31 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 29.9 | 175 | -64 | -37.3 | 0 | 0 | 0 | 111.5 | G5 N6 N324 Q326 G368 | G5-D370 WeakPolarHBondContact CA-O 3.44Å; N6-D370 HydrophobicContact CB-CB 3.88Å; N6-D370 PolarHBondContact N-O 3.22Å; N324-D370 HydrophobicContact CB-CB 4.06Å; N324-D370 PolarHBondContact ND2-OD2 2.84Å; Q326-D370 WeakPolarHBondContact CB-O 3.33Å; Q326-D370 PolarHBondContact NE2-OD1 3.47Å; G368-D370 PolarHBondContact O-N 3.3Å |
| 371 | Q | 94.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 151.9 | 177.4 | 63.6 | -86.3 | 13.2 | 0 | 0 | 112.2 | Q11 L12 G42 H45 T46 A367 G368 F373 | Q11-Q371 HydrophobicContact CG-CG 4.45Å; L12-Q371 HydrophobicContact CD2-CB 3.52Å; G42-Q371 PolarHBondContact O-NE2 3.42Å; H45-Q371 PolarHBondContact O-NE2 2.96Å; T46-Q371 PolarHBondContact OG1-NE2 3.43Å; A367-Q371 WeakPolarHBondContact CA-O 3.39Å; G368-Q371 PolarHBondContact N-O 3.07Å; G368-Q371 VanDerWaalsContact N-O 3.17Å; G368-Q371 VanDerWaalsContact O-CG 3.26Å; G368-Q371 WeakPolarHBondContact O-CG 3.48Å; G368-Q371 PolarHBondContact O-N 2.95Å; G368-Q371 PolarHBondContact O-NE2 3.48Å; G368-Q371 VanDerWaalsContact O-O 3.12Å; G368-Q371 PolarHBondContact O-OE1 3.11Å; G368-Q371 VanDerWaalsContact O-OE1 3.04Å; Q371-F373 HydrophobicContact CB-CE2 4.05Å; Q371-F373 HydrophobicContact CB-CZ 4.31Å; Q371-F373 HydrophobicContact CG-CE2 3.54Å; Q371-F373 HydrophobicContact CG-CZ 4Å |
| 372 | S | 96.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.5 | -175.7 | -65 | 0 | 0 | 0 | 0 | 110.1 | C3 W4 H305 Q326 Y366 | C3-S372 WeakPolarHBondContact CA-O 2.91Å; W4-S372 VanDerWaalsContact CZ2-CB 3.47Å; W4-S372 PolarHBondContact N-O 3.13Å; W4-S372 PolarHBondContact O-N 3.35Å; H305-S372 PolarHBondContact NE2-OG 3.21Å; Q326-S372 PolarHBondContact O-OG 3.08Å; Y366-S372 CarbonylContact O-C 3.25Å; Y366-S372 WeakPolarHBondContact O-CA 3.35Å |
| 373 | F | 95.3 | Very high | 79.3 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149.2 | -177.8 | -54.9 | -95.1 | 0 | 0 | 0 | 111.5 | M1 L2 C3 L12 V39 C41 T46 F48 I365 Y366 Q371 | M1-F373 HydrophobicContact CE-CB 4.34Å; M1-F373 HydrophobicContact CG-CD1 4.43Å; M1-F373 HydrophobicContact SD-CB 4.46Å; M1-F373 HydrophobicContact SD-CD1 4.45Å; L2-F373 CarbonylContact O-C 3.58Å; L2-F373 VanDerWaalsContact O-CA 3.29Å; L2-F373 WeakPolarHBondContact O-CA 3.31Å; C3-F373 HydrophobicContact CB-CD1 3.43Å; C3-F373 VanDerWaalsContact CB-CD1 3.43Å; C3-F373 HydrophobicContact CB-CE1 3.5Å; C3-F373 VanDerWaalsContact CB-CE1 3.5Å; C3-F373 HydrophobicContact CB-CG 4.44Å; L12-F373 HydrophobicContact CD2-CE1 4.49Å; L12-F373 HydrophobicContact CD2-CZ 4.23Å; V39-F373 HydrophobicContact CG1-CD2 4.35Å; V39-F373 HydrophobicContact CG1-CE2 4.5Å; C41-F373 VanDerWaalsContact SG-CE2 3.57Å; T46-F373 HydrophobicContact CG2-CE2 3.96Å; T46-F373 HydrophobicContact CG2-CZ 3.78Å; F48-F373 HydrophobicContact CE1-CD1 4.24Å; F48-F373 AromaticContact CE1-CE1 3.93Å; F48-F373 HydrophobicContact CE1-CE1 3.93Å; F48-F373 HydrophobicContact CE1-CZ 4.43Å; F48-F373 AromaticContact CZ-CE1 3.92Å; F48-F373 HydrophobicContact CZ-CE1 3.92Å; F48-F373 HydrophobicContact CZ-CZ 4.24Å; I365-F373 WeakPolarHBondContact CA-O 3.39Å; Y366-F373 HydrophobicContact CD2-CB 4.43Å; Y366-F373 PolarHBondContact N-O 3.14Å; Y366-F373 PolarHBondContact O-N 3.44Å; Q371-F373 HydrophobicContact CB-CE2 4.05Å; Q371-F373 HydrophobicContact CB-CZ 4.31Å; Q371-F373 HydrophobicContact CG-CE2 3.54Å; Q371-F373 HydrophobicContact CG-CZ 4Å |
| 374 | A | 92.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 121.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L2 W4 I316 W345 R364 | L2-A374 HydrophobicContact CB-CB 4.46Å; L2-A374 PolarHBondContact N-O 3.07Å; L2-A374 PolarHBondContact O-N 3.17Å; W4-A374 HydrophobicContact CH2-CB 3.95Å; W4-A374 HydrophobicContact CZ3-CB 3.87Å; I316-A374 HydrophobicContact CD1-CB 3.87Å; W345-A374 HydrophobicContact CH2-CB 4.06Å; W345-A374 HydrophobicContact CZ3-CB 4.13Å; R364-A374 WeakPolarHBondContact O-CA 3.46Å |
| 375 | H | 87.9 | Confident | 75.1 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 129.3 | 165.1 | -167.8 | -174.4 | 0 | 0 | 0 | 108.2 | M1 V36 K363 R364 | M1-H375 VanDerWaalsContact CE-CA 3.45Å; M1-H375 HydrophobicContact CE-CB 3.44Å; M1-H375 VanDerWaalsContact CE-CB 3.44Å; M1-H375 VanDerWaalsContact CE-N 3.34Å; V36-H375 PolarHBondContact O-CE1 3.31Å; V36-H375 PolarHBondContact O-ND1 2.73Å; V36-H375 VanDerWaalsContact O-ND1 3.14Å; K363-H375 HydrophobicContact CB-CB 4.4Å; K363-H375 PolarHBondContact N-O 3.5Å; R364-H375 HydrophobicContact CB-CB 4.35Å; R364-H375 PolarHBondContact N-O 2.69Å; R364-H375 PolarHBondContact O-N 3.27Å |
| 376 | Y | 83 | Confident | 72.4 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 11% | 0.106 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.2 | 178.8 | 76.4 | -84 | 0 | 0 | 0 | 112 | L2 C360 W361 | L2-Y376 HydrophobicContact CD1-CD1 3.92Å; L2-Y376 HydrophobicContact CD1-CE1 4.2Å; L2-Y376 HydrophobicContact CD2-CE1 4.14Å; L2-Y376 HydrophobicContact CG-CD1 3.69Å; L2-Y376 HydrophobicContact CG-CE1 3.65Å; C360-Y376 HydrophobicContact CB-CD2 3.7Å; C360-Y376 HydrophobicContact CB-CE2 4.39Å; C360-Y376 HydrophobicContact CB-CG 4.02Å; C360-Y376 WeakPolarHBondContact SG-CD2 3.46Å; C360-Y376 WeakPolarHBondContact SG-CE2 3.49Å; W361-Y376 CarbonylContact O-C 3.03Å; W361-Y376 WeakPolarHBondContact O-CA 3.43Å; W361-Y376 WeakPolarHBondContact O-CB 3.21Å |
| 377 | C | 74.6 | Confident | 69.7 | Low | 35 Ų | 35 | 57.5 Ų | 57.5 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 154.4 | 170.4 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | W361 | W361-C377 WeakPolarHBondContact CB-O 3.29Å; W361-C377 PolarHBondContact N-O 3.01Å; W361-C377 PolarHBondContact O-N 3.05Å |
| 378 | S | 63.7 | Low | 67.3 | Low | 85 Ų | 85 | 61.5 Ų | 61.5 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -110.8 | -6.6 | 180 | -64.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 379 | T | 59.2 | Low | 64.9 | Low | 101 Ų | 101 | 66.4 Ų | 66.4 | 62% | 0.62 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -115.4 | 133.2 | 179 | 44.3 | 0 | 0 | 0 | 0 | 110.8 | E381 | T379-E381 VanDerWaalsContact C-N 3.32Å; T379-E381 PolarHBondContact O-N 2.88Å; T379-E381 VanDerWaalsContact O-N 3.07Å |
| 380 | T | 49.6 | Very low | 62.4 | Low | 108 Ų | 108 | 71.8 Ų | 71.8 | 66% | 0.663 | 40% | 0.395 | S | S | * | . | trans | -78 | 77.4 | 172.9 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | W361 | W361-T380 HydrophobicContact CZ2-CG2 3.96Š| ||
| 381 | E | 47.4 | Very low | 60.4 | Low | 113 Ų | 113 | 72.7 Ų | 72.7 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | trans | -93.4 | 116.3 | 162 | -74 | -168.5 | -178 | 0 | 0 | 108.8 | T379 Q383 D384 | T379-E381 VanDerWaalsContact C-N 3.32Å; T379-E381 PolarHBondContact O-N 2.88Å; T379-E381 VanDerWaalsContact O-N 3.07Å; E381-Q383 PolarHBondContact O-N 3.07Å; E381-Q383 VanDerWaalsContact O-N 3.08Å; E381-D384 PolarHBondContact O-N 3.47Å; E381-D384 VanDerWaalsContact O-N 3.12Å | ||
| 382 | P | 42.5 | Very low | 58.9 | Low | 115 Ų | 115 | 75.7 Ų | 75.7 | 75% | 0.747 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.8 | -175.3 | 20.5 | -29.3 | 0 | 0 | 0 | 113.9 | D384 | P382-D384 VanDerWaalsContact C-N 3.35Š|
| 383 | Q | 42.9 | Very low | 57.5 | Low | 172 Ų | 172 | 80.2 Ų | 80.2 | 80% | 0.804 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -19.9 | 176.1 | -69.9 | -178.7 | -7.7 | 0 | 0 | 113.6 | E381 | E381-Q383 PolarHBondContact O-N 3.07Å; E381-Q383 VanDerWaalsContact O-N 3.08Å |
| 384 | D | 41 | Very low | 56.4 | Low | 67 Ų | 67 | 84.8 Ų | 84.8 | 36% | 0.358 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -93.1 | -8.7 | -174.1 | -104.8 | -47.9 | 0 | 0 | 0 | 114.3 | K363 E381 P382 I387 | K363-D384 IonicContact NZ-OD1 2.79Å; K363-D384 PolarHBondContact NZ-OD1 3.41Å; E381-D384 PolarHBondContact O-N 3.47Å; E381-D384 VanDerWaalsContact O-N 3.12Å; P382-D384 VanDerWaalsContact C-N 3.35Å; D384-I387 VanDerWaalsContact O-CD1 3.31Å; D384-I387 WeakPolarHBondContact O-CD1 3.43Å |
| 385 | M | 43.4 | Very low | 55.8 | Low | 97 Ų | 97 | 88.2 Ų | 88.2 | 48% | 0.478 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -87.5 | -10 | -174.6 | -74.2 | -84 | -84.1 | 0 | 0 | 113.9 | W361 I387 | W361-M385 HydrophobicContact CE3-CE 3.77Å; W361-M385 HydrophobicContact CE3-SD 4.05Å; W361-M385 HydrophobicContact CH2-CE 4.26Å; W361-M385 HydrophobicContact CZ3-CE 3.5Å; W361-M385 HydrophobicContact CZ3-SD 4.39Å; M385-I387 PolarHBondContact O-N 3Å |
| 386 | E | 37.9 | Very low | 55.8 | Low | 153 Ų | 153 | 91.7 Ų | 91.7 | 72% | 0.715 | 49% | 0.494 | S | S | * | . | trans | -87.8 | 21.1 | -175.9 | -79.7 | -168.5 | 152.2 | 0 | 0 | 115.4 | L388 | E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.42Å | ||
| 387 | I | 37.9 | Very low | 56.1 | Low | 60 Ų | 60 | 90.8 Ų | 90.8 | 31% | 0.308 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 37.2 | -164.7 | -60.4 | 167 | 0 | 0 | 0 | 114.3 | K363 D384 M385 | K363-I387 VanDerWaalsContact NZ-CD1 3.27Å; D384-I387 VanDerWaalsContact O-CD1 3.31Å; D384-I387 WeakPolarHBondContact O-CD1 3.43Å; M385-I387 PolarHBondContact O-N 3Å |
| 388 | L | 44.8 | Very low | 57 | Low | 97 Ų | 97 | 89.4 Ų | 89.4 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -5.7 | 172.7 | -90.8 | 157.4 | 0 | 0 | 0 | 115.4 | Q298 E386 | Q298-L388 HydrophobicContact CG-CD1 3.92Å; Q298-L388 HydrophobicContact CG-CD2 4.09Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.42Å |
| 389 | T | 39.8 | Very low | 58.3 | Low | 111 Ų | 111 | 87.2 Ų | 87.2 | 68% | 0.681 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | -25.5 | -173 | 32.5 | 0 | 0 | 0 | 0 | 114.9 | P391 | T389-P391 VanDerWaalsContact O-CD 3.31Å; T389-P391 WeakPolarHBondContact O-CD 3.37Å |
| 390 | V | 39.1 | Very low | 59.9 | Low | 123 Ų | 123 | 82.5 Ų | 82.5 | 75% | 0.745 | 44% | 0.436 | S | S | * | . | trans | -106.7 | 97.5 | 174.7 | -166.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 391 | P | 53.7 | Low | 61.8 | Low | 37 Ų | 37 | 79.9 Ų | 79.9 | 24% | 0.24 | 42% | 0.418 | C | S | . | . | trans | -60.4 | 163.3 | 166.7 | 38.3 | -46.4 | 0 | 0 | 0 | 109.4 | T389 P393 R396 | T389-P391 VanDerWaalsContact O-CD 3.31Å; T389-P391 WeakPolarHBondContact O-CD 3.37Å; P391-P393 WeakPolarHBondContact O-CD 3.33Å; P391-R396 HydrophobicContact CB-CG 4.03Å; P391-R396 VanDerWaalsContact CD-NH2 3.31Å; P391-R396 HydrophobicContact CG-CG 4.1Å | ||
| 392 | D | 64.2 | Low | 63.9 | Low | 62 Ų | 62 | 77 Ų | 77 | 33% | 0.332 | 40% | 0.404 | S | S | . | . | trans | -61.3 | 123.3 | 158 | -178.8 | -7.6 | 0 | 0 | 0 | 109.5 | Q394 R395 | D392-Q394 PolarHBondContact O-N 3.07Å; D392-Q394 VanDerWaalsContact O-N 3.11Å; D392-Q394 WeakPolarHBondContact OD1-CB 3.31Å; D392-Q394 PolarHBondContact OD1-N 3.02Å; D392-R395 HydrophobicContact CB-CB 4.24Å; D392-R395 HydrophobicContact CB-CG 3.98Å; D392-R395 PolarHBondContact O-N 3.31Å | ||
| 393 | P | 66.7 | Low | 66.1 | Low | 95 Ų | 95 | 78.4 Ų | 78.4 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -54.7 | -25.4 | 175.4 | -24.6 | 33.8 | 0 | 0 | 0 | 113.6 | P391 R395 | P391-P393 WeakPolarHBondContact O-CD 3.33Å; P393-R395 VanDerWaalsContact C-N 3.28Å; P393-R395 PolarHBondContact O-N 2.8Å |
| 394 | Q | 72.1 | Confident | 68.2 | Low | 97 Ų | 97 | 71.4 Ų | 71.4 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -73.8 | -20.2 | 177.1 | -59.3 | -174.7 | -3.8 | 0 | 0 | 112.7 | L87 D392 | L87-Q394 HydrophobicContact CD1-CB 4.45Å; D392-Q394 PolarHBondContact O-N 3.07Å; D392-Q394 VanDerWaalsContact O-N 3.11Å; D392-Q394 WeakPolarHBondContact OD1-CB 3.31Å; D392-Q394 PolarHBondContact OD1-N 3.02Å |
| 395 | R | 81.1 | Confident | 70.6 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 28% | 0.275 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -96.6 | 13.3 | -177.8 | -65.2 | -178.8 | 66 | 165.9 | 2.1 | 114 | D38 L87 A140 D392 P393 | D38-R395 IonicContact OD2-CZ 2.84Å; D38-R395 IonicContact OD2-NH1 3.61Å; D38-R395 IonicContact OD2-NH2 2.77Å; D38-R395 PolarHBondContact OD2-NH2 2.63Å; D38-R395 VanDerWaalsContact OD2-NH2 3.1Å; L87-R395 PolarHBondContact O-NH1 3.29Å; L87-R395 VanDerWaalsContact O-NH1 3.09Å; A140-R395 WeakPolarHBondContact O-CA 3.47Å; D392-R395 HydrophobicContact CB-CB 4.24Å; D392-R395 HydrophobicContact CB-CG 3.98Å; D392-R395 PolarHBondContact O-N 3.31Å; P393-R395 VanDerWaalsContact C-N 3.28Å; P393-R395 PolarHBondContact O-N 2.8Å |
| 396 | R | 87.1 | Confident | 72.7 | Confident | 98 Ų | 98 | 68 Ų | 68 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -129.4 | 167.7 | 177.7 | -67.9 | -159.3 | 176.3 | 159.5 | 5 | 112.4 | P391 C398 | P391-R396 HydrophobicContact CB-CG 4.03Å; P391-R396 VanDerWaalsContact CD-NH2 3.31Å; P391-R396 HydrophobicContact CG-CG 4.1Å; R396-C398 PolarHBondContact O-N 2.94Å |
| 397 | V | 90.2 | Very high | 75.2 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | trans | -57 | 134.6 | 166.8 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | L152 R154 F192 T399 | L152-V397 HydrophobicContact CD1-CG2 4.21Å; L152-V397 HydrophobicContact CD2-CG2 4.06Å; L152-V397 HydrophobicContact CG-CG2 4.24Å; R154-V397 CarbonylContact O-C 3.4Å; R154-V397 WeakPolarHBondContact O-CA 3.27Å; R154-V397 WeakPolarHBondContact O-CG1 3.27Å; F192-V397 VanDerWaalsContact O-CG2 3.24Å; F192-V397 WeakPolarHBondContact O-CG2 3.37Å; V397-T399 PolarHBondContact O-N 2.74Å | ||
| 398 | C | 92.1 | Very high | 77.6 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | trans | -67.5 | 128.3 | 179.2 | -162.3 | 0 | 0 | 0 | 0 | 109.1 | R154 R396 L426 V427 C433 | R154-C398 PolarHBondContact O-N 3.38Å; R396-C398 PolarHBondContact O-N 2.94Å; C398-L426 HydrophobicContact CB-CD2 4.08Å; C398-V427 HydrophobicContact CB-CG2 4.35Å; C398-V427 VanDerWaalsContact SG-CG2 3.59Å; C398-C433 VanDerWaalsContact O-CA 3.23Å; C398-C433 WeakPolarHBondContact O-CA 3.4Å; C398-C433 WeakPolarHBondContact O-CB 3.18Å; C398-C433 PolarHBondContact O-SG 2.56Å | ||
| 399 | T | 91.9 | Very high | 79.6 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | trans | -123.3 | 141 | 175.7 | 53.7 | 0 | 0 | 0 | 0 | 108.9 | L207 V397 N401 I404 G436 | L207-T399 HydrophobicContact CD1-CG2 4.36Å; V397-T399 PolarHBondContact O-N 2.74Å; T399-N401 PolarHBondContact O-N 3.48Å; T399-I404 WeakPolarHBondContact O-CD1 3.34Å; T399-G436 WeakPolarHBondContact CG2-O 3.31Å | ||
| 400 | L | 92.9 | Very high | 81.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | trans | -70.9 | 123.1 | 173.1 | -171.2 | 71.4 | 0 | 0 | 0 | 108.6 | I405 W408 V427 F428 S437 F438 L465 | L400-I405 HydrophobicContact CD1-CD1 3.99Å; L400-I405 HydrophobicContact CD1-CG1 3.65Å; L400-I405 HydrophobicContact CD2-CD1 4.07Å; L400-I405 HydrophobicContact CG-CD1 3.93Å; L400-I405 HydrophobicContact CG-CG1 4.12Å; L400-W408 HydrophobicContact CD1-CH2 3.79Å; L400-W408 HydrophobicContact CD1-CZ3 3.55Å; L400-V427 HydrophobicContact CB-CG1 4.13Å; L400-V427 HydrophobicContact CD1-CG1 4.43Å; L400-F428 HydrophobicContact CD2-CZ 4.09Å; L400-S437 WeakPolarHBondContact CB-OG 3.27Å; L400-S437 PolarHBondContact N-OG 3.08Å; L400-S437 WeakPolarHBondContact O-CB 3.28Å; L400-F438 HydrophobicContact CD2-CE1 4.14Å; L400-F438 HydrophobicContact CD2-CZ 4.03Å; L400-L465 HydrophobicContact CD2-CD2 4.45Å | ||
| 401 | N | 90.3 | Very high | 83.5 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | trans | -137.6 | 173.8 | 175.8 | 67.7 | 16.5 | 0 | 0 | 0 | 109.8 | T399 E403 I404 I405 | T399-N401 PolarHBondContact O-N 3.48Å; N401-E403 VanDerWaalsContact C-N 3.31Å; N401-E403 PolarHBondContact O-N 3.25Å; N401-E403 PolarHBondContact OD1-N 2.92Å; N401-I404 PolarHBondContact O-N 3.45Å; N401-I404 WeakPolarHBondContact OD1-CB 3.43Å; N401-I404 VanDerWaalsContact OD1-CG1 3.27Å; N401-I404 WeakPolarHBondContact OD1-CG1 3.35Å; N401-I404 PolarHBondContact OD1-N 2.94Å; N401-I405 WeakPolarHBondContact O-CG1 3.4Å; N401-I405 PolarHBondContact O-N 2.96Å | ||
| 402 | E | 89.7 | Confident | 84 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 24% | 0.243 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.7 | -41.4 | -179.3 | -175.5 | 56.2 | -137 | 0 | 0 | 112.7 | I404 I405 Q406 L464 R467 | E402-I404 PolarHBondContact O-N 3.18Å; E402-I405 PolarHBondContact O-N 3.12Å; E402-Q406 WeakPolarHBondContact O-CG 3.34Å; E402-Q406 PolarHBondContact O-N 3.24Å; E402-Q406 WeakPolarHBondContact OE1-CG 3.44Å; E402-Q406 PolarHBondContact OE1-NE2 2.78Å; E402-L464 HydrophobicContact CB-CD2 4.34Å; E402-L464 WeakPolarHBondContact OE2-CD2 3.46Å; E402-R467 IonicContact OE1-CZ 2.72Å; E402-R467 IonicContact OE1-NE 3.9Å; E402-R467 IonicContact OE1-NH1 3.01Å; E402-R467 PolarHBondContact OE1-NH1 2.96Å; E402-R467 IonicContact OE2-CZ 3.48Å; E402-R467 IonicContact OE2-NE 3.01Å; E402-R467 IonicContact OE2-NH1 3.32Å; E402-R467 PolarHBondContact OE2-NH1 3.39Å |
| 403 | E | 88.6 | Confident | 83.9 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 68% | 0.678 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | -177.3 | -61.8 | 175.2 | 178.2 | 0 | 0 | 112.4 | N401 Q406 K407 | N401-E403 VanDerWaalsContact C-N 3.31Å; N401-E403 PolarHBondContact O-N 3.25Å; N401-E403 PolarHBondContact OD1-N 2.92Å; E403-Q406 PolarHBondContact O-N 2.82Å; E403-K407 WeakPolarHBondContact O-CB 3.48Å; E403-K407 PolarHBondContact O-N 3.21Å |
| 404 | I | 88.1 | Confident | 84.1 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 178.1 | -70 | 166 | 0 | 0 | 0 | 110.4 | T399 N401 E402 K407 W408 | T399-I404 WeakPolarHBondContact O-CD1 3.34Å; N401-I404 PolarHBondContact O-N 3.45Å; N401-I404 WeakPolarHBondContact OD1-CB 3.43Å; N401-I404 VanDerWaalsContact OD1-CG1 3.27Å; N401-I404 WeakPolarHBondContact OD1-CG1 3.35Å; N401-I404 PolarHBondContact OD1-N 2.94Å; E402-I404 PolarHBondContact O-N 3.18Å; I404-K407 WeakPolarHBondContact O-CB 3.44Å; I404-K407 PolarHBondContact O-N 3.5Å; I404-W408 HydrophobicContact CG2-CD2 3.89Å; I404-W408 HydrophobicContact CG2-CE3 4.26Å; I404-W408 HydrophobicContact CG2-CH2 3.68Å; I404-W408 HydrophobicContact CG2-CZ2 3.22Å; I404-W408 HydrophobicContact CG2-CZ3 4.16Å; I404-W408 PolarHBondContact O-N 3.04Å |
| 405 | I | 90.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 177.4 | -64.2 | 176.3 | 0 | 0 | 0 | 110.4 | L400 N401 E402 K407 W408 L409 L464 R467 L468 | L400-I405 HydrophobicContact CD1-CD1 3.99Å; L400-I405 HydrophobicContact CD1-CG1 3.65Å; L400-I405 HydrophobicContact CD2-CD1 4.07Å; L400-I405 HydrophobicContact CG-CD1 3.93Å; L400-I405 HydrophobicContact CG-CG1 4.12Å; N401-I405 WeakPolarHBondContact O-CG1 3.4Å; N401-I405 PolarHBondContact O-N 2.96Å; E402-I405 PolarHBondContact O-N 3.12Å; I405-K407 VanDerWaalsContact C-N 3.33Å; I405-K407 PolarHBondContact O-N 3.24Å; I405-W408 PolarHBondContact O-N 3.22Å; I405-W408 VanDerWaalsContact O-N 3.07Å; I405-L409 HydrophobicContact CG2-CD1 3.71Å; I405-L409 HydrophobicContact CG2-CG 4.13Å; I405-L409 WeakPolarHBondContact O-CG 3.24Å; I405-L409 PolarHBondContact O-N 3.48Å; I405-L464 HydrophobicContact CD1-CB 3.76Å; I405-L464 HydrophobicContact CD1-CD2 3.81Å; I405-L464 HydrophobicContact CD1-CG 4.3Å; I405-L464 WeakPolarHBondContact CD1-O 3.3Å; I405-R467 HydrophobicContact CG2-CB 4.5Å; I405-R467 HydrophobicContact CG2-CG 3.93Å; I405-L468 HydrophobicContact CG2-CD1 4.45Å |
| 406 | Q | 89.3 | Confident | 84.2 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 176.2 | -73 | -179.8 | 6.8 | 0 | 0 | 112.1 | E402 E403 W408 L409 N410 | E402-Q406 WeakPolarHBondContact O-CG 3.34Å; E402-Q406 PolarHBondContact O-N 3.24Å; E402-Q406 WeakPolarHBondContact OE1-CG 3.44Å; E402-Q406 PolarHBondContact OE1-NE2 2.78Å; E403-Q406 PolarHBondContact O-N 2.82Å; Q406-W408 VanDerWaalsContact C-N 3.25Å; Q406-W408 PolarHBondContact O-N 3.37Å; Q406-L409 PolarHBondContact O-N 3.28Å; Q406-N410 VanDerWaalsContact O-CB 3.3Å; Q406-N410 WeakPolarHBondContact O-CB 3.33Å; Q406-N410 PolarHBondContact O-N 2.85Å; Q406-N410 PolarHBondContact O-ND2 3.46Å |
| 407 | K | 89.1 | Confident | 84.1 | Confident | 110 Ų | 110 | 63.6 Ų | 63.6 | 48% | 0.478 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57 | -39.8 | 172.9 | 177.1 | -166.7 | 172.7 | -159 | 0 | 111.6 | E403 I404 I405 E423 | E403-K407 WeakPolarHBondContact O-CB 3.48Å; E403-K407 PolarHBondContact O-N 3.21Å; I404-K407 WeakPolarHBondContact O-CB 3.44Å; I404-K407 PolarHBondContact O-N 3.5Å; I405-K407 VanDerWaalsContact C-N 3.33Å; I405-K407 PolarHBondContact O-N 3.24Å; K407-E423 IonicContact NZ-OE1 2.73Å; K407-E423 PolarHBondContact NZ-OE1 3.16Å; K407-E423 IonicContact NZ-OE2 3.54Å; K407-E423 PolarHBondContact NZ-OE2 3.49Å |
| 408 | W | 88.8 | Confident | 83.9 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.3 | -41.3 | 178.3 | -61.9 | -13.6 | 0 | 0 | 0 | 113 | L400 I404 I405 Q406 M420 E423 I424 V427 F428 L468 I476 | L400-W408 HydrophobicContact CD1-CH2 3.79Å; L400-W408 HydrophobicContact CD1-CZ3 3.55Å; I404-W408 HydrophobicContact CG2-CD2 3.89Å; I404-W408 HydrophobicContact CG2-CE3 4.26Å; I404-W408 HydrophobicContact CG2-CH2 3.68Å; I404-W408 HydrophobicContact CG2-CZ2 3.22Å; I404-W408 HydrophobicContact CG2-CZ3 4.16Å; I404-W408 PolarHBondContact O-N 3.04Å; I405-W408 PolarHBondContact O-N 3.22Å; I405-W408 VanDerWaalsContact O-N 3.07Å; Q406-W408 VanDerWaalsContact C-N 3.25Å; Q406-W408 PolarHBondContact O-N 3.37Å; W408-M420 HydrophobicContact CB-CE 4.28Å; W408-M420 HydrophobicContact CB-SD 4.08Å; W408-M420 HydrophobicContact CG-CE 4.29Å; W408-M420 HydrophobicContact CG-CG 4.22Å; W408-M420 HydrophobicContact CG-SD 4.17Å; W408-E423 HydrophobicContact CZ2-CB 4.38Å; W408-E423 HydrophobicContact CZ2-CG 4.04Å; W408-E423 PolarHBondContact NE1-OE2 2.87Å; W408-I424 HydrophobicContact CD2-CD1 4.44Å; W408-I424 HydrophobicContact CD2-CG1 3.97Å; W408-I424 HydrophobicContact CE3-CG1 4.07Å; W408-I424 HydrophobicContact CH2-CG1 3.88Å; W408-I424 HydrophobicContact CZ2-CG1 3.77Å; W408-I424 HydrophobicContact CZ3-CG1 4.04Å; W408-V427 HydrophobicContact CH2-CG2 4.35Å; W408-F428 HydrophobicContact CH2-CE2 4.35Å; W408-F428 HydrophobicContact CZ3-CE2 4.18Å; W408-L468 HydrophobicContact CE3-CD1 3.51Å; W408-L468 HydrophobicContact CZ3-CD1 3.82Å; W408-L468 HydrophobicContact CZ3-CD2 4.27Å; W408-I476 HydrophobicContact CB-CD1 4.32Å |
| 409 | L | 86.3 | Confident | 83.6 | Confident | 28 Ų | 28 | 73.9 Ų | 73.9 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74 | -32.3 | -178.3 | -66.5 | 176 | 0 | 0 | 0 | 113.5 | I405 Q406 N411 R467 H473 I476 | I405-L409 HydrophobicContact CG2-CD1 3.71Å; I405-L409 HydrophobicContact CG2-CG 4.13Å; I405-L409 WeakPolarHBondContact O-CG 3.24Å; I405-L409 PolarHBondContact O-N 3.48Å; Q406-L409 PolarHBondContact O-N 3.28Å; L409-N411 PolarHBondContact O-N 3.06Å; L409-N411 VanDerWaalsContact O-N 3.11Å; L409-R467 HydrophobicContact CD1-CG 3.91Å; L409-H473 PolarHBondContact O-CE1 3.4Å; L409-I476 HydrophobicContact CD2-CD1 4.43Å |
| 410 | N | 85.4 | Confident | 83.3 | Confident | 135 Ų | 135 | 72.5 Ų | 72.5 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -8.7 | 179.6 | -74.3 | -18.7 | 0 | 0 | 0 | 113.8 | Q406 | Q406-N410 VanDerWaalsContact O-CB 3.3Å; Q406-N410 WeakPolarHBondContact O-CB 3.33Å; Q406-N410 PolarHBondContact O-N 2.85Å; Q406-N410 PolarHBondContact O-ND2 3.46Å |
| 411 | N | 75.7 | Confident | 83.1 | Confident | 71 Ų | 71 | 73.5 Ų | 73.5 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -80.8 | 144.3 | 177.7 | -91.3 | -9.1 | 0 | 0 | 0 | 112.6 | L409 M420 | L409-N411 PolarHBondContact O-N 3.06Å; L409-N411 VanDerWaalsContact O-N 3.11Å; N411-M420 HydrophobicContact CB-CE 4.26Å; N411-M420 WeakPolarHBondContact ND2-CE 3.35Å |
| 412 | S | 64 | Low | 83.1 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | trans | -55.3 | 146.8 | -179.5 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | G414 | S412-G414 PolarHBondContact O-N 2.93Š| ||
| 413 | P | 63.3 | Low | 83.1 | Confident | 109 Ų | 109 | 73.7 Ų | 73.7 | 71% | 0.708 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -66.3 | 11.4 | -176.2 | 26.7 | -35.2 | 0 | 0 | 0 | 115.3 | K475 | P413-K475 PolarHBondContact O-NZ 3.47Š|
| 414 | G | 69.5 | Low | 83.3 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 37% | 0.371 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -68.9 | -156.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S412 K475 | S412-G414 PolarHBondContact O-N 2.93Å; G414-K475 WeakPolarHBondContact O-CD 3.26Å; G414-K475 PolarHBondContact O-NZ 3.41Å |
| 415 | R | 74.6 | Confident | 83.5 | Confident | 230 Ų | 230 | 67.7 Ų | 67.7 | 87% | 0.868 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -70.1 | 133.2 | 176.9 | -173.9 | 177.2 | -180 | 175.1 | 0.3 | 109.2 | P417 | R415-P417 WeakPolarHBondContact O-CD 3.3Š|
| 416 | L | 80.2 | Confident | 83.6 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 127.4 | 175 | -83.8 | 160.8 | 0 | 0 | 0 | 109.9 | M420 K475 I476 | L416-M420 HydrophobicContact CD2-CG 4.05Å; L416-M420 HydrophobicContact CD2-SD 3.45Å; L416-M420 WeakPolarHBondContact CD2-SD 2.85Å; L416-K475 HydrophobicContact CD1-CB 3.64Å; L416-K475 HydrophobicContact CG-CB 4.25Å; L416-I476 HydrophobicContact CD1-CG1 4.28Å; L416-I476 HydrophobicContact CD2-CG1 3.92Å |
| 417 | P | 86.2 | Confident | 83.9 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 39% | 0.39 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 143.3 | 170.3 | -24.2 | 34.4 | 0 | 0 | 0 | 110.8 | R415 D419 M420 S421 | R415-P417 WeakPolarHBondContact O-CD 3.3Å; P417-D419 VanDerWaalsContact C-N 3.27Å; P417-D419 PolarHBondContact O-N 3.32Å; P417-M420 HydrophobicContact CB-CB 4.37Å; P417-M420 PolarHBondContact O-N 3.27Å; P417-M420 VanDerWaalsContact O-N 3.13Å; P417-S421 PolarHBondContact O-N 3.07Å |
| 418 | V | 86.1 | Confident | 84.2 | Confident | 99 Ų | 99 | 59.7 Ų | 59.7 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.8 | -41.3 | -177.7 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | M420 S421 N422 | V418-M420 VanDerWaalsContact C-N 3.29Å; V418-M420 PolarHBondContact O-N 2.92Å; V418-S421 WeakPolarHBondContact O-CB 3.36Å; V418-S421 PolarHBondContact O-N 3.44Å; V418-N422 VanDerWaalsContact O-CG 3.22Å; V418-N422 PolarHBondContact O-N 3.01Å; V418-N422 PolarHBondContact O-ND2 3.45Å |
| 419 | D | 84.6 | Confident | 84.4 | Confident | 131 Ų | 131 | 61.5 Ų | 61.5 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 179.5 | -57.9 | -36 | 0 | 0 | 0 | 112.4 | P417 E423 | P417-D419 VanDerWaalsContact C-N 3.27Å; P417-D419 PolarHBondContact O-N 3.32Å; D419-E423 WeakPolarHBondContact O-CB 3.26Å; D419-E423 PolarHBondContact O-N 3.08Å |
| 420 | M | 86.3 | Confident | 84.8 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.4 | -41.5 | 175.9 | -179.9 | 174.9 | -66.6 | 0 | 0 | 111.6 | W408 N411 L416 P417 V418 N422 E423 I424 | W408-M420 HydrophobicContact CB-CE 4.28Å; W408-M420 HydrophobicContact CB-SD 4.08Å; W408-M420 HydrophobicContact CG-CE 4.29Å; W408-M420 HydrophobicContact CG-CG 4.22Å; W408-M420 HydrophobicContact CG-SD 4.17Å; N411-M420 HydrophobicContact CB-CE 4.26Å; N411-M420 WeakPolarHBondContact ND2-CE 3.35Å; L416-M420 HydrophobicContact CD2-CG 4.05Å; L416-M420 HydrophobicContact CD2-SD 3.45Å; L416-M420 WeakPolarHBondContact CD2-SD 2.85Å; P417-M420 HydrophobicContact CB-CB 4.37Å; P417-M420 PolarHBondContact O-N 3.27Å; P417-M420 VanDerWaalsContact O-N 3.13Å; V418-M420 VanDerWaalsContact C-N 3.29Å; V418-M420 PolarHBondContact O-N 2.92Å; M420-N422 VanDerWaalsContact C-N 3.28Å; M420-N422 PolarHBondContact O-N 2.72Å; M420-E423 PolarHBondContact O-N 3.38Å; M420-I424 HydrophobicContact CG-CD1 3.94Å; M420-I424 HydrophobicContact CG-CG1 4.44Å; M420-I424 WeakPolarHBondContact O-CG1 3.46Å; M420-I424 PolarHBondContact O-N 3.44Å |
| 421 | S | 89.3 | Confident | 85.3 | Confident | 23 Ų | 23 | 55 Ų | 55 | 16% | 0.161 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -46 | 174 | -167.4 | 0 | 0 | 0 | 0 | 110.7 | P417 V418 E423 I424 D425 Q479 | P417-S421 PolarHBondContact O-N 3.07Å; V418-S421 WeakPolarHBondContact O-CB 3.36Å; V418-S421 PolarHBondContact O-N 3.44Å; S421-E423 VanDerWaalsContact C-N 3.33Å; S421-E423 PolarHBondContact O-N 3.33Å; S421-I424 PolarHBondContact O-N 3.39Å; S421-D425 WeakPolarHBondContact O-CB 3.31Å; S421-D425 VanDerWaalsContact O-CG 3.28Å; S421-D425 PolarHBondContact O-N 3.45Å; S421-Q479 PolarHBondContact OG-NE2 2.66Å |
| 422 | N | 89.6 | Confident | 86.2 | Confident | 80 Ų | 80 | 51.9 Ų | 51.9 | 43% | 0.428 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 177.9 | -66.4 | -20 | 0 | 0 | 0 | 112.3 | V418 M420 L426 | V418-N422 VanDerWaalsContact O-CG 3.22Å; V418-N422 PolarHBondContact O-N 3.01Å; V418-N422 PolarHBondContact O-ND2 3.45Å; M420-N422 VanDerWaalsContact C-N 3.28Å; M420-N422 PolarHBondContact O-N 2.72Å; N422-L426 VanDerWaalsContact O-CB 3.28Å; N422-L426 WeakPolarHBondContact O-CB 3.41Å; N422-L426 PolarHBondContact O-N 3.03Å |
| 423 | E | 89.9 | Confident | 87.7 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.8 | -41.7 | 176.4 | -162.5 | 176.7 | -143.8 | 0 | 0 | 111.6 | K407 W408 D419 M420 S421 L426 V427 | K407-E423 IonicContact NZ-OE1 2.73Å; K407-E423 PolarHBondContact NZ-OE1 3.16Å; K407-E423 IonicContact NZ-OE2 3.54Å; K407-E423 PolarHBondContact NZ-OE2 3.49Å; W408-E423 HydrophobicContact CZ2-CB 4.38Å; W408-E423 HydrophobicContact CZ2-CG 4.04Å; W408-E423 PolarHBondContact NE1-OE2 2.87Å; D419-E423 WeakPolarHBondContact O-CB 3.26Å; D419-E423 PolarHBondContact O-N 3.08Å; M420-E423 PolarHBondContact O-N 3.38Å; S421-E423 VanDerWaalsContact C-N 3.33Å; S421-E423 PolarHBondContact O-N 3.33Å; E423-L426 PolarHBondContact O-N 3.11Å; E423-V427 WeakPolarHBondContact O-CG2 3.37Å; E423-V427 PolarHBondContact O-N 3.49Å |
| 424 | I | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -48.9 | 173.3 | -67.7 | 166.4 | 0 | 0 | 0 | 109.9 | W408 M420 S421 L426 V427 F428 I476 Q479 V480 | W408-I424 HydrophobicContact CD2-CD1 4.44Å; W408-I424 HydrophobicContact CD2-CG1 3.97Å; W408-I424 HydrophobicContact CE3-CG1 4.07Å; W408-I424 HydrophobicContact CH2-CG1 3.88Å; W408-I424 HydrophobicContact CZ2-CG1 3.77Å; W408-I424 HydrophobicContact CZ3-CG1 4.04Å; M420-I424 HydrophobicContact CG-CD1 3.94Å; M420-I424 HydrophobicContact CG-CG1 4.44Å; M420-I424 WeakPolarHBondContact O-CG1 3.46Å; M420-I424 PolarHBondContact O-N 3.44Å; S421-I424 PolarHBondContact O-N 3.39Å; I424-L426 VanDerWaalsContact C-N 3.32Å; I424-L426 PolarHBondContact O-N 3.05Å; I424-V427 PolarHBondContact O-N 3.43Å; I424-F428 HydrophobicContact CG2-CD2 3.95Å; I424-F428 WeakPolarHBondContact O-CD2 2.96Å; I424-F428 PolarHBondContact O-N 3.3Å; I424-I476 HydrophobicContact CD1-CG1 4.48Å; I424-I476 HydrophobicContact CD1-CG2 4.22Å; I424-Q479 HydrophobicContact CB-CG 4.46Å; I424-Q479 HydrophobicContact CG2-CB 4.29Å; I424-Q479 HydrophobicContact CG2-CG 3.94Å; I424-V480 HydrophobicContact CG2-CG2 3.77Å |
| 425 | D | 93.2 | Very high | 90.4 | Very high | 46 Ų | 46 | 40.6 Ų | 40.6 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 178.5 | -75.8 | -35.1 | 0 | 0 | 0 | 111.1 | S421 V427 F428 S429 Q479 S483 | S421-D425 WeakPolarHBondContact O-CB 3.31Å; S421-D425 VanDerWaalsContact O-CG 3.28Å; S421-D425 PolarHBondContact O-N 3.45Å; D425-V427 VanDerWaalsContact C-N 3.33Å; D425-V427 PolarHBondContact O-N 2.98Å; D425-F428 PolarHBondContact O-N 3.49Å; D425-S429 WeakPolarHBondContact O-CA 3.23Å; D425-S429 WeakPolarHBondContact O-CB 3.45Å; D425-S429 PolarHBondContact O-N 3.25Å; D425-S429 PolarHBondContact O-OG 2.9Å; D425-Q479 PolarHBondContact OD1-NE2 2.91Å; D425-Q479 PolarHBondContact OD2-NE2 3.03Å; D425-S483 PolarHBondContact OD1-OG 3.03Å |
| 426 | L | 92.7 | Very high | 91.4 | Very high | 30 Ų | 30 | 30 Ų | 30 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.2 | -44.9 | 177.3 | 178.8 | 67.3 | 0 | 0 | 0 | 112.6 | R154 C398 N422 E423 I424 S430 | R154-L426 HydrophobicContact CB-CD2 3.97Å; C398-L426 HydrophobicContact CB-CD2 4.08Å; N422-L426 VanDerWaalsContact O-CB 3.28Å; N422-L426 WeakPolarHBondContact O-CB 3.41Å; N422-L426 PolarHBondContact O-N 3.03Å; E423-L426 PolarHBondContact O-N 3.11Å; I424-L426 VanDerWaalsContact C-N 3.32Å; I424-L426 PolarHBondContact O-N 3.05Å; L426-S430 WeakPolarHBondContact O-CB 3.48Å |
| 427 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.7 | -48.4 | -178.6 | 172.8 | 0 | 0 | 0 | 0 | 111 | C398 L400 W408 E423 I424 D425 S430 C433 L434 | C398-V427 HydrophobicContact CB-CG2 4.35Å; C398-V427 VanDerWaalsContact SG-CG2 3.59Å; L400-V427 HydrophobicContact CB-CG1 4.13Å; L400-V427 HydrophobicContact CD1-CG1 4.43Å; W408-V427 HydrophobicContact CH2-CG2 4.35Å; E423-V427 WeakPolarHBondContact O-CG2 3.37Å; E423-V427 PolarHBondContact O-N 3.49Å; I424-V427 PolarHBondContact O-N 3.43Å; D425-V427 VanDerWaalsContact C-N 3.33Å; D425-V427 PolarHBondContact O-N 2.98Å; V427-S430 PolarHBondContact O-N 3.05Å; V427-C433 HydrophobicContact CG1-CB 4.49Å; V427-L434 HydrophobicContact CG1-CD2 4.09Å |
| 428 | F | 95 | Very high | 92.4 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -88 | -12.6 | -172 | -72.8 | -80.8 | 0 | 0 | 0 | 114.4 | L400 W408 I424 D425 S430 L434 L465 L468 V480 L484 L488 | L400-F428 HydrophobicContact CD2-CZ 4.09Å; W408-F428 HydrophobicContact CH2-CE2 4.35Å; W408-F428 HydrophobicContact CZ3-CE2 4.18Å; I424-F428 HydrophobicContact CG2-CD2 3.95Å; I424-F428 WeakPolarHBondContact O-CD2 2.96Å; I424-F428 PolarHBondContact O-N 3.3Å; D425-F428 PolarHBondContact O-N 3.49Å; F428-S430 VanDerWaalsContact C-N 3.35Å; F428-L434 HydrophobicContact CD1-CD1 4.28Å; F428-L434 HydrophobicContact CD1-CD2 4.16Å; F428-L434 HydrophobicContact CE1-CD2 3.97Å; F428-L465 HydrophobicContact CE1-CD2 4.08Å; F428-L465 HydrophobicContact CZ-CD2 4.4Å; F428-L468 HydrophobicContact CE1-CD2 4.28Å; F428-L468 HydrophobicContact CE2-CD2 3.47Å; F428-L468 VanDerWaalsContact CE2-CD2 3.47Å; F428-L468 HydrophobicContact CZ-CD2 3.2Å; F428-V480 HydrophobicContact CD1-CG1 3.59Å; F428-V480 HydrophobicContact CD2-CG1 4.19Å; F428-V480 HydrophobicContact CD2-CG2 3.85Å; F428-V480 HydrophobicContact CE1-CG1 3.71Å; F428-V480 HydrophobicContact CE2-CG1 4.31Å; F428-V480 HydrophobicContact CE2-CG2 3.81Å; F428-V480 HydrophobicContact CG-CB 4.49Å; F428-V480 HydrophobicContact CG-CG1 3.84Å; F428-V480 HydrophobicContact CG-CG2 4.31Å; F428-V480 HydrophobicContact CZ-CG1 4.09Å; F428-V480 HydrophobicContact CZ-CG2 4.23Å; F428-L484 HydrophobicContact CD1-CD2 4.18Å; F428-L484 HydrophobicContact CD1-CG 4.49Å; F428-L488 WeakPolarHBondContact O-CB 3.3Å |
| 429 | S | 93.9 | Very high | 92.8 | Very high | 41 Ų | 41 | 22.5 Ų | 22.5 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.9 | 168.5 | 78.2 | 0 | 0 | 0 | 0 | 113 | D425 | D425-S429 WeakPolarHBondContact O-CA 3.23Å; D425-S429 WeakPolarHBondContact O-CB 3.45Å; D425-S429 PolarHBondContact O-N 3.25Å; D425-S429 PolarHBondContact O-OG 2.9Å |
| 430 | S | 94.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 16.5 Ų | 16.5 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | trans | -115.7 | 118.2 | -173.8 | 173.8 | 0 | 0 | 0 | 0 | 113.2 | G155 L426 V427 F428 C432 C433 L434 | G155-S430 WeakPolarHBondContact O-CB 3.26Å; G155-S430 PolarHBondContact O-OG 3.09Å; L426-S430 WeakPolarHBondContact O-CB 3.48Å; V427-S430 PolarHBondContact O-N 3.05Å; F428-S430 VanDerWaalsContact C-N 3.35Å; S430-C432 PolarHBondContact O-N 3.42Å; S430-C432 PolarHBondContact OG-N 3.27Å; S430-C433 WeakPolarHBondContact CB-SG 3.3Å; S430-C433 PolarHBondContact O-N 3.23Å; S430-C433 PolarHBondContact OG-N 2.78Å; S430-C433 PolarHBondContact OG-SG 2.88Å; S430-L434 PolarHBondContact O-N 2.95Å | ||
| 431 | A | 94.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 10% | 0.099 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62 | -33 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A189 N435 L488 L504 | A189-A431 HydrophobicContact CB-CB 3.48Å; A189-A431 VanDerWaalsContact CB-CB 3.48Å; A431-N435 VanDerWaalsContact O-CB 3.23Å; A431-N435 WeakPolarHBondContact O-CB 3.44Å; A431-N435 VanDerWaalsContact O-CG 3.27Å; A431-N435 PolarHBondContact O-N 2.97Å; A431-N435 PolarHBondContact O-ND2 2.98Å; A431-L488 HydrophobicContact CB-CD1 3.79Å; A431-L504 HydrophobicContact CB-CD2 3.94Å |
| 432 | C | 94.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | A189 I190 S430 G436 | A189-C432 VanDerWaalsContact C-SG 3.56Å; A189-C432 WeakPolarHBondContact CA-SG 3.36Å; A189-C432 PolarHBondContact N-SG 3.35Å; A189-C432 VanDerWaalsContact N-SG 3.37Å; I190-C432 PolarHBondContact O-SG 3.01Å; S430-C432 PolarHBondContact O-N 3.42Å; S430-C432 PolarHBondContact OG-N 3.27Å; C432-G436 PolarHBondContact O-N 3.43Å; C432-G436 VanDerWaalsContact O-N 3.11Å |
| 433 | C | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.7 | -52.3 | 179.7 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | C398 V427 S430 G436 S437 | C398-C433 VanDerWaalsContact O-CA 3.23Å; C398-C433 WeakPolarHBondContact O-CA 3.4Å; C398-C433 WeakPolarHBondContact O-CB 3.18Å; C398-C433 PolarHBondContact O-SG 2.56Å; V427-C433 HydrophobicContact CG1-CB 4.49Å; S430-C433 WeakPolarHBondContact CB-SG 3.3Å; S430-C433 PolarHBondContact O-N 3.23Å; S430-C433 PolarHBondContact OG-N 2.78Å; S430-C433 PolarHBondContact OG-SG 2.88Å; C433-G436 PolarHBondContact O-N 3.37Å; C433-G436 VanDerWaalsContact O-N 3.16Å; C433-S437 PolarHBondContact O-N 3.25Å; C433-S437 VanDerWaalsContact O-N 3.13Å; C433-S437 PolarHBondContact O-OG 3.42Å |
| 434 | L | 95.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 180 | -66 | 176.4 | 0 | 0 | 0 | 112.6 | V427 F428 S430 G436 S437 F438 L488 L504 L508 | V427-L434 HydrophobicContact CG1-CD2 4.09Å; F428-L434 HydrophobicContact CD1-CD1 4.28Å; F428-L434 HydrophobicContact CD1-CD2 4.16Å; F428-L434 HydrophobicContact CE1-CD2 3.97Å; S430-L434 PolarHBondContact O-N 2.95Å; L434-G436 PolarHBondContact O-N 3.38Å; L434-S437 WeakPolarHBondContact O-CB 3.21Å; L434-S437 PolarHBondContact O-N 3.13Å; L434-F438 HydrophobicContact CD2-CE2 4.37Å; L434-F438 HydrophobicContact CD2-CZ 4.46Å; L434-L488 HydrophobicContact CD1-CD2 3.67Å; L434-L504 HydrophobicContact CB-CD1 3.53Å; L434-L504 HydrophobicContact CD1-CD1 3.67Å; L434-L504 HydrophobicContact CG-CD1 4.26Å; L434-L508 HydrophobicContact CD1-CD2 3.84Å |
| 435 | N | 95.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -23.5 | 175.5 | -78.2 | -23.7 | 0 | 0 | 0 | 113.7 | A189 P191 A431 L439 A501 R503 L504 | A189-N435 PolarHBondContact O-ND2 3.33Å; P191-N435 HydrophobicContact CG-CB 4.15Å; A431-N435 VanDerWaalsContact O-CB 3.23Å; A431-N435 WeakPolarHBondContact O-CB 3.44Å; A431-N435 VanDerWaalsContact O-CG 3.27Å; A431-N435 PolarHBondContact O-N 2.97Å; A431-N435 PolarHBondContact O-ND2 2.98Å; N435-L439 WeakPolarHBondContact O-CD2 3.38Å; N435-A501 PolarHBondContact ND2-O 3.07Å; N435-R503 VanDerWaalsContact OD1-CB 3.31Å; N435-R503 WeakPolarHBondContact OD1-CB 3.41Å; N435-L504 WeakPolarHBondContact OD1-CA 3.28Å; N435-L504 VanDerWaalsContact OD1-CB 3.29Å; N435-L504 WeakPolarHBondContact OD1-CB 3.38Å; N435-L504 PolarHBondContact OD1-N 3.04Å |
| 436 | G | 94.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 8% | 0.082 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -90.5 | -9.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | T399 C432 C433 L434 | T399-G436 WeakPolarHBondContact CG2-O 3.31Å; C432-G436 PolarHBondContact O-N 3.43Å; C432-G436 VanDerWaalsContact O-N 3.11Å; C433-G436 PolarHBondContact O-N 3.37Å; C433-G436 VanDerWaalsContact O-N 3.16Å; L434-G436 PolarHBondContact O-N 3.38Å |
| 437 | S | 94.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -81.9 | -37.7 | -171.5 | -60 | 0 | 0 | 0 | 0 | 113.6 | L400 C433 L434 | L400-S437 WeakPolarHBondContact CB-OG 3.27Å; L400-S437 PolarHBondContact N-OG 3.08Å; L400-S437 WeakPolarHBondContact O-CB 3.28Å; C433-S437 PolarHBondContact O-N 3.25Å; C433-S437 VanDerWaalsContact O-N 3.13Å; C433-S437 PolarHBondContact O-OG 3.42Å; L434-S437 WeakPolarHBondContact O-CB 3.21Å; L434-S437 PolarHBondContact O-N 3.13Å |
| 438 | F | 94.4 | Very high | 91 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.022 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -111 | 37.8 | -167.5 | -46.1 | -57.7 | 0 | 0 | 0 | 112.4 | L400 L434 V456 D457 A461 L464 L465 | L400-F438 HydrophobicContact CD2-CE1 4.14Å; L400-F438 HydrophobicContact CD2-CZ 4.03Å; L434-F438 HydrophobicContact CD2-CE2 4.37Å; L434-F438 HydrophobicContact CD2-CZ 4.46Å; F438-V456 HydrophobicContact CB-CG1 4.1Å; F438-V456 CarbonylContact O-C 3.53Å; F438-V456 VanDerWaalsContact O-CA 3.31Å; F438-V456 WeakPolarHBondContact O-CA 3.46Å; F438-D457 PolarHBondContact O-N 2.93Å; F438-A461 HydrophobicContact CB-CB 3.93Å; F438-A461 VanDerWaalsContact CD1-CA 3.47Å; F438-A461 HydrophobicContact CD1-CB 3.9Å; F438-A461 HydrophobicContact CD2-CB 3.9Å; F438-A461 HydrophobicContact CE1-CB 4.38Å; F438-A461 HydrophobicContact CE2-CB 4.38Å; F438-A461 HydrophobicContact CG-CB 3.63Å; F438-L464 HydrophobicContact CD1-CD1 4.16Å; F438-L464 HydrophobicContact CE1-CB 4.2Å; F438-L464 HydrophobicContact CE1-CD1 4Å; F438-L465 HydrophobicContact CZ-CD1 4.3Å; F438-L465 HydrophobicContact CZ-CD2 4.25Å; F438-L465 HydrophobicContact CZ-CG 4.1Å |
| 439 | L | 93.6 | Very high | 90.8 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 11% | 0.105 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 128.3 | -175.5 | -63.2 | -177.8 | 0 | 0 | 0 | 111.5 | L207 N435 T441 H446 R503 | L207-L439 HydrophobicContact CB-CD1 3.69Å; L207-L439 HydrophobicContact CD1-CD1 4Å; N435-L439 WeakPolarHBondContact O-CD2 3.38Å; L439-T441 PolarHBondContact O-N 3.16Å; L439-H446 HydrophobicContact CB-CB 3.84Å; L439-H446 HydrophobicContact CD2-CB 4.18Å; L439-H446 HydrophobicContact CG-CB 4.41Å; L439-R503 VanDerWaalsContact CD2-NH1 3.31Å |
| 440 | S | 90.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | trans | -64.7 | 130.8 | 177 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | S442 H446 Y453 G455 | S440-S442 PolarHBondContact OG-N 3.28Å; S440-S442 PolarHBondContact OG-O 3.04Å; S440-S442 VanDerWaalsContact OG-O 3.13Å; S440-S442 PolarHBondContact OG-OG 3.18Å; S440-H446 WeakPolarHBondContact O-CB 3.49Å; S440-H446 PolarHBondContact O-CD2 3.49Å; S440-H446 VanDerWaalsContact O-CD2 3.29Å; S440-H446 PolarHBondContact O-N 3.41Å; S440-Y453 WeakPolarHBondContact CB-OH 3.46Å; S440-Y453 PolarHBondContact OG-OH 3.18Å; S440-G455 PolarHBondContact N-O 3.31Å | ||
| 441 | T | 87.1 | Confident | 90.6 | Very high | 115 Ų | 115 | 33 Ų | 33 | 71% | 0.706 | 20% | 0.2 | S | C | * | . | trans | -102.1 | -15.7 | 173.8 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | L439 | L439-T441 PolarHBondContact O-N 3.16Š| ||
| 442 | S | 83.6 | Confident | 90.4 | Very high | 70 Ų | 70 | 40 Ų | 40 | 49% | 0.49 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -84 | 153.9 | 176.2 | 50.2 | 0 | 0 | 0 | 0 | 112 | S440 P444 D445 | S440-S442 PolarHBondContact OG-N 3.28Å; S440-S442 PolarHBondContact OG-O 3.04Å; S440-S442 VanDerWaalsContact OG-O 3.13Å; S440-S442 PolarHBondContact OG-OG 3.18Å; S442-P444 CarbonylContact O-C 3.6Å; S442-D445 VanDerWaalsContact O-CA 3.25Å; S442-D445 WeakPolarHBondContact O-CA 3.31Å; S442-D445 PolarHBondContact O-N 3.44Å; S442-D445 VanDerWaalsContact O-N 3.17Å |
| 443 | H | 75.7 | Confident | 90.2 | Very high | 155 Ų | 155 | 42.3 Ų | 42.3 | 72% | 0.718 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -71.6 | 133.7 | -179.2 | -76 | 73.7 | 0 | 0 | 0 | 112.5 | ||
| 444 | P | 77.3 | Confident | 90.1 | Very high | 67 Ų | 67 | 43 Ų | 43 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | S | Bend | cis | -66.8 | 132.3 | -9.4 | 27.2 | -32.5 | 0 | 0 | 0 | 111.4 | S442 Y453 | S442-P444 CarbonylContact O-C 3.6Å; P444-Y453 HydrophobicContact CB-CD1 4.31Å; P444-Y453 HydrophobicContact CB-CE1 4.08Å; P444-Y453 HydrophobicContact CB-CE2 4.5Å; P444-Y453 HydrophobicContact CG-CD1 4.34Å; P444-Y453 HydrophobicContact CG-CD2 3.86Å; P444-Y453 HydrophobicContact CG-CE1 4.07Å; P444-Y453 HydrophobicContact CG-CE2 3.62Å; P444-Y453 HydrophobicContact CG-CG 4.25Å; P444-Y453 VanDerWaalsContact O-CE1 3.31Å; P444-Y453 WeakPolarHBondContact O-CE1 3.48Å; P444-Y453 PolarHBondContact O-OH 3.38Å |
| 445 | D | 87.9 | Confident | 90 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -82.5 | 171.1 | -175.7 | 64.7 | -8.8 | 0 | 0 | 0 | 112.3 | R243 S442 F447 S448 Y453 | R243-D445 IonicContact CZ-OD1 3.69Å; R243-D445 IonicContact CZ-OD2 3.56Å; R243-D445 IonicContact NE-OD1 2.63Å; R243-D445 IonicContact NE-OD2 3.1Å; R243-D445 VanDerWaalsContact NH2-CG 3.33Å; R243-D445 IonicContact NH2-OD1 3.92Å; R243-D445 PolarHBondContact NH2-OD1 3.45Å; R243-D445 IonicContact NH2-OD2 3.79Å; R243-D445 PolarHBondContact NH2-OD2 3.09Å; S442-D445 VanDerWaalsContact O-CA 3.25Å; S442-D445 WeakPolarHBondContact O-CA 3.31Å; S442-D445 PolarHBondContact O-N 3.44Å; S442-D445 VanDerWaalsContact O-N 3.17Å; D445-F447 PolarHBondContact O-N 3Å; D445-S448 WeakPolarHBondContact O-CB 3.47Å; D445-S448 PolarHBondContact O-N 2.97Å; D445-S448 PolarHBondContact OD1-OG 3.18Å; D445-Y453 WeakPolarHBondContact O-CE1 3.47Å |
| 446 | H | 91.4 | Very high | 89.9 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 13% | 0.13 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -57.1 | -22.5 | -178.6 | 68.7 | 67.8 | 0 | 0 | 0 | 113.9 | L207 S208 L439 S440 S448 T449 | L207-H446 PolarHBondContact O-CE1 3.12Å; L207-H446 PolarHBondContact O-ND1 3.45Å; S208-H446 WeakPolarHBondContact CB-O 3.41Å; L439-H446 HydrophobicContact CB-CB 3.84Å; L439-H446 HydrophobicContact CD2-CB 4.18Å; L439-H446 HydrophobicContact CG-CB 4.41Å; S440-H446 WeakPolarHBondContact O-CB 3.49Å; S440-H446 PolarHBondContact O-CD2 3.49Å; S440-H446 VanDerWaalsContact O-CD2 3.29Å; S440-H446 PolarHBondContact O-N 3.41Å; H446-S448 PolarHBondContact O-N 3.22Å; H446-T449 WeakPolarHBondContact O-CB 3.42Å; H446-T449 PolarHBondContact O-N 2.72Å; H446-T449 PolarHBondContact O-OG1 3.11Å |
| 447 | F | 91.4 | Very high | 89.9 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -68.1 | -14.6 | 174.4 | -68.4 | -82.9 | 0 | 0 | 0 | 113.7 | S208 R243 V244 I245 K259 D445 T449 | S208-F447 VanDerWaalsContact C-CD1 3.49Å; S208-F447 WeakPolarHBondContact O-CA 3.47Å; S208-F447 VanDerWaalsContact O-CD1 3.23Å; S208-F447 WeakPolarHBondContact O-CD1 3.48Å; R243-F447 HydrophobicContact CB-CB 4.25Å; R243-F447 HydrophobicContact CB-CD1 4.05Å; R243-F447 HydrophobicContact CB-CG 4.12Å; R243-F447 HydrophobicContact CG-CB 3.75Å; R243-F447 HydrophobicContact CG-CD1 4.49Å; R243-F447 HydrophobicContact CG-CG 4.12Å; V244-F447 WeakPolarHBondContact O-CE1 3.42Å; I245-F447 HydrophobicContact CG2-CE1 4.34Å; I245-F447 HydrophobicContact CG2-CZ 4.15Å; K259-F447 HydrophobicContact CD-CE2 4.08Å; D445-F447 PolarHBondContact O-N 3Å; F447-T449 VanDerWaalsContact C-N 3.26Å; F447-T449 PolarHBondContact O-N 3.01Å |
| 448 | S | 89.5 | Confident | 89.8 | Confident | 49 Ų | 49 | 45 Ų | 45 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -89.3 | 15.7 | 178 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | D445 H446 S450 | D445-S448 WeakPolarHBondContact O-CB 3.47Å; D445-S448 PolarHBondContact O-N 2.97Å; D445-S448 PolarHBondContact OD1-OG 3.18Å; H446-S448 PolarHBondContact O-N 3.22Å; S448-S450 PolarHBondContact O-N 2.91Å |
| 449 | T | 91.8 | Very high | 89.7 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | trans | -62.6 | 123.3 | -175.2 | -64 | 0 | 0 | 0 | 0 | 112.7 | R240 H446 F447 Y453 S454 I499 E500 R503 | R240-T449 PolarHBondContact NE-O 3.11Å; H446-T449 WeakPolarHBondContact O-CB 3.42Å; H446-T449 PolarHBondContact O-N 2.72Å; H446-T449 PolarHBondContact O-OG1 3.11Å; F447-T449 VanDerWaalsContact C-N 3.26Å; F447-T449 PolarHBondContact O-N 3.01Å; T449-Y453 WeakPolarHBondContact CA-O 3.4Å; T449-S454 PolarHBondContact OG1-O 3.48Å; T449-I499 HydrophobicContact CG2-CD1 4.01Å; T449-I499 HydrophobicContact CG2-CG1 4.36Å; T449-E500 HydrophobicContact CG2-CG 4.09Å; T449-R503 PolarHBondContact OG1-NH2 3.49Å | ||
| 450 | S | 92.3 | Very high | 89.6 | Confident | 43 Ų | 43 | 51.7 Ų | 51.7 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -151.5 | 178.9 | -172.2 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | S448 K452 Y453 W545 | S448-S450 PolarHBondContact O-N 2.91Å; S450-K452 PolarHBondContact O-N 3.33Å; S450-K452 PolarHBondContact OG-N 2.93Å; S450-Y453 PolarHBondContact N-O 3.2Å; S450-Y453 CarbonylContact O-C 3.58Å; S450-Y453 PolarHBondContact O-N 3.29Å; S450-Y453 PolarHBondContact OG-N 2.99Å; S450-W545 WeakPolarHBondContact O-CZ2 3.28Å; S450-W545 PolarHBondContact O-NE1 3.43Å |
| 451 | S | 91.6 | Very high | 89.8 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -63.8 | -8.6 | 174.8 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | N544 | S451-N544 WeakPolarHBondContact O-CB 3.47Å; S451-N544 PolarHBondContact O-ND2 3.01Å |
| 452 | K | 90 | Very high | 90.1 | Very high | 160 Ų | 160 | 48.7 Ų | 48.7 | 70% | 0.696 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -109 | -27.7 | 176.6 | -62.6 | -174.2 | 179.5 | -175.3 | 0 | 113.1 | S450 | S450-K452 PolarHBondContact O-N 3.33Å; S450-K452 PolarHBondContact OG-N 2.93Å |
| 453 | Y | 91 | Very high | 90.6 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | trans | -127.6 | 122.7 | -175.1 | -176.6 | -109.1 | 0 | 0 | 0 | 110.9 | S440 P444 D445 T449 S450 | S440-Y453 WeakPolarHBondContact CB-OH 3.46Å; S440-Y453 PolarHBondContact OG-OH 3.18Å; P444-Y453 HydrophobicContact CB-CD1 4.31Å; P444-Y453 HydrophobicContact CB-CE1 4.08Å; P444-Y453 HydrophobicContact CB-CE2 4.5Å; P444-Y453 HydrophobicContact CG-CD1 4.34Å; P444-Y453 HydrophobicContact CG-CD2 3.86Å; P444-Y453 HydrophobicContact CG-CE1 4.07Å; P444-Y453 HydrophobicContact CG-CE2 3.62Å; P444-Y453 HydrophobicContact CG-CG 4.25Å; P444-Y453 VanDerWaalsContact O-CE1 3.31Å; P444-Y453 WeakPolarHBondContact O-CE1 3.48Å; P444-Y453 PolarHBondContact O-OH 3.38Å; D445-Y453 WeakPolarHBondContact O-CE1 3.47Å; T449-Y453 WeakPolarHBondContact CA-O 3.4Å; S450-Y453 PolarHBondContact N-O 3.2Å; S450-Y453 CarbonylContact O-C 3.58Å; S450-Y453 PolarHBondContact O-N 3.29Å; S450-Y453 PolarHBondContact OG-N 2.99Å | ||
| 454 | S | 93.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | trans | -77.1 | -26.5 | -174.6 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | T449 V456 R503 | T449-S454 PolarHBondContact OG1-O 3.48Å; S454-V456 PolarHBondContact O-N 2.9Å; S454-V456 PolarHBondContact OG-N 3.35Å; S454-R503 PolarHBondContact O-NE 2.95Å | ||
| 455 | G | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | 74.3 | 11 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S440 | S440-G455 PolarHBondContact N-O 3.31Š| ||
| 456 | V | 94.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -100.6 | 135.4 | -178.7 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | F438 S454 M458 R503 | F438-V456 HydrophobicContact CB-CG1 4.1Å; F438-V456 CarbonylContact O-C 3.53Å; F438-V456 VanDerWaalsContact O-CA 3.31Å; F438-V456 WeakPolarHBondContact O-CA 3.46Å; S454-V456 PolarHBondContact O-N 2.9Å; S454-V456 PolarHBondContact OG-N 3.35Å; V456-M458 HydrophobicContact CG1-SD 3.89Å; V456-R503 HydrophobicContact CG2-CB 3.54Å; V456-R503 HydrophobicContact CG2-CG 3.43Å; V456-R503 VanDerWaalsContact CG2-CG 3.43Å |
| 457 | D | 93.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 20% | 0.198 | 23% | 0.229 | C | C | . | . | trans | -88.2 | 101.1 | 166.4 | -174.3 | -22.8 | 0 | 0 | 0 | 109.7 | F438 N459 M460 A461 | F438-D457 PolarHBondContact O-N 2.93Å; D457-N459 VanDerWaalsContact C-N 3.33Å; D457-N459 PolarHBondContact O-N 3.02Å; D457-N459 WeakPolarHBondContact OD1-CB 3.3Å; D457-N459 PolarHBondContact OD1-N 3.07Å; D457-M460 HydrophobicContact CB-CB 3.84Å; D457-M460 VanDerWaalsContact CG-CB 3.47Å; D457-M460 PolarHBondContact O-N 3.04Å; D457-M460 PolarHBondContact OD1-N 3.17Å; D457-A461 WeakPolarHBondContact O-CB 3.39Å; D457-A461 PolarHBondContact O-N 2.99Å | ||
| 458 | M | 92.7 | Very high | 92.2 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.9 | -32.9 | -178.4 | -67.7 | -58.2 | -61 | 0 | 0 | 112.8 | V456 R462 L506 E510 F549 F553 | V456-M458 HydrophobicContact CG1-SD 3.89Å; M458-R462 WeakPolarHBondContact O-CB 3.4Å; M458-R462 PolarHBondContact O-N 3.44Å; M458-L506 HydrophobicContact CE-CB 4.35Å; M458-L506 WeakPolarHBondContact CE-O 3.29Å; M458-L506 HydrophobicContact SD-CB 3.87Å; M458-E510 HydrophobicContact CE-CG 3.72Å; M458-F549 HydrophobicContact CE-CE2 4.23Å; M458-F549 HydrophobicContact CE-CZ 3.84Å; M458-F549 HydrophobicContact SD-CZ 4.18Å; M458-F553 HydrophobicContact CB-CE1 4.17Å; M458-F553 HydrophobicContact CB-CE2 4.28Å; M458-F553 HydrophobicContact CB-CZ 4.04Å |
| 459 | N | 92.8 | Very high | 92.1 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.2 | -44.8 | 177.4 | -76.2 | -58.4 | 0 | 0 | 0 | 110.4 | D457 R462 L463 F553 | D457-N459 VanDerWaalsContact C-N 3.33Å; D457-N459 PolarHBondContact O-N 3.02Å; D457-N459 WeakPolarHBondContact OD1-CB 3.3Å; D457-N459 PolarHBondContact OD1-N 3.07Å; N459-R462 PolarHBondContact O-N 3.23Å; N459-L463 VanDerWaalsContact O-CB 3.29Å; N459-L463 WeakPolarHBondContact O-CB 3.35Å; N459-L463 PolarHBondContact O-N 3.22Å; N459-F553 WeakPolarHBondContact OD1-CZ 3.36Å |
| 460 | M | 92.4 | Very high | 91.5 | Very high | 70 Ų | 70 | 46.4 Ų | 46.4 | 35% | 0.345 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63 | -45.6 | 175.4 | -175 | -179.5 | -63.6 | 0 | 0 | 111.7 | D457 R462 L463 L464 | D457-M460 HydrophobicContact CB-CB 3.84Å; D457-M460 VanDerWaalsContact CG-CB 3.47Å; D457-M460 PolarHBondContact O-N 3.04Å; D457-M460 PolarHBondContact OD1-N 3.17Å; M460-R462 VanDerWaalsContact C-N 3.34Å; M460-R462 PolarHBondContact O-N 3.15Å; M460-L463 PolarHBondContact O-N 3.01Å; M460-L464 HydrophobicContact CG-CD1 3.87Å; M460-L464 HydrophobicContact CG-CG 4.28Å; M460-L464 WeakPolarHBondContact O-CB 3.44Å; M460-L464 WeakPolarHBondContact O-CG 3.4Å; M460-L464 PolarHBondContact O-N 2.95Å |
| 461 | A | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.6 | -51.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F438 D457 L465 | F438-A461 HydrophobicContact CB-CB 3.93Å; F438-A461 VanDerWaalsContact CD1-CA 3.47Å; F438-A461 HydrophobicContact CD1-CB 3.9Å; F438-A461 HydrophobicContact CD2-CB 3.9Å; F438-A461 HydrophobicContact CE1-CB 4.38Å; F438-A461 HydrophobicContact CE2-CB 4.38Å; F438-A461 HydrophobicContact CG-CB 3.63Å; D457-A461 WeakPolarHBondContact O-CB 3.39Å; D457-A461 PolarHBondContact O-N 2.99Å; A461-L465 WeakPolarHBondContact O-CB 3.42Å; A461-L465 WeakPolarHBondContact O-CD1 3.27Å; A461-L465 WeakPolarHBondContact O-CG 3.23Å; A461-L465 PolarHBondContact O-N 3.34Å |
| 462 | R | 92.9 | Very high | 90 | Very high | 57 Ų | 57 | 56.5 Ų | 56.5 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 177.6 | -174.8 | -177.1 | 178.8 | 80.3 | 8.7 | 112.1 | M458 N459 M460 L464 L465 H466 E510 R556 | M458-R462 WeakPolarHBondContact O-CB 3.4Å; M458-R462 PolarHBondContact O-N 3.44Å; N459-R462 PolarHBondContact O-N 3.23Å; M460-R462 VanDerWaalsContact C-N 3.34Å; M460-R462 PolarHBondContact O-N 3.15Å; R462-L464 PolarHBondContact O-N 2.95Å; R462-L465 PolarHBondContact O-N 3.43Å; R462-H466 VanDerWaalsContact CZ-NE2 3.25Å; R462-H466 PolarHBondContact NH2-CE1 3.01Å; R462-H466 PolarHBondContact NH2-NE2 3.35Å; R462-H466 VanDerWaalsContact NH2-NE2 3.18Å; R462-H466 VanDerWaalsContact O-CB 3.28Å; R462-H466 WeakPolarHBondContact O-CB 3.48Å; R462-H466 PolarHBondContact O-CD2 3.48Å; R462-H466 VanDerWaalsContact O-CD2 3.26Å; R462-H466 PolarHBondContact O-N 3.46Å; R462-E510 HydrophobicContact CB-CB 4.18Å; R462-E510 HydrophobicContact CB-CG 4.45Å; R462-E510 WeakPolarHBondContact CD-OE2 3.33Å; R462-E510 HydrophobicContact CG-CB 4.5Å; R462-E510 IonicContact CZ-OE2 3.94Å; R462-E510 IonicContact NH1-OE2 3.22Å; R462-E510 PolarHBondContact NH1-OE2 3.44Å; R462-R556 VanDerWaalsContact NH2-CZ 3.3Å |
| 463 | L | 93.8 | Very high | 89.6 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.9 | -46.4 | -175.9 | -176.4 | 149.9 | 0 | 0 | 0 | 111.7 | N459 M460 R467 | N459-L463 VanDerWaalsContact O-CB 3.29Å; N459-L463 WeakPolarHBondContact O-CB 3.35Å; N459-L463 PolarHBondContact O-N 3.22Å; M460-L463 PolarHBondContact O-N 3.01Å; L463-R467 VanDerWaalsContact O-CB 3.27Å; L463-R467 WeakPolarHBondContact O-CB 3.19Å; L463-R467 PolarHBondContact O-N 2.89Å |
| 464 | L | 93.5 | Very high | 89.4 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.5 | -44.5 | 179.9 | -67 | 179.4 | 0 | 0 | 0 | 111.8 | E402 I405 F438 M460 R462 R467 L468 | E402-L464 HydrophobicContact CB-CD2 4.34Å; E402-L464 WeakPolarHBondContact OE2-CD2 3.46Å; I405-L464 HydrophobicContact CD1-CB 3.76Å; I405-L464 HydrophobicContact CD1-CD2 3.81Å; I405-L464 HydrophobicContact CD1-CG 4.3Å; I405-L464 WeakPolarHBondContact CD1-O 3.3Å; F438-L464 HydrophobicContact CD1-CD1 4.16Å; F438-L464 HydrophobicContact CE1-CB 4.2Å; F438-L464 HydrophobicContact CE1-CD1 4Å; M460-L464 HydrophobicContact CG-CD1 3.87Å; M460-L464 HydrophobicContact CG-CG 4.28Å; M460-L464 WeakPolarHBondContact O-CB 3.44Å; M460-L464 WeakPolarHBondContact O-CG 3.4Å; M460-L464 PolarHBondContact O-N 2.95Å; R462-L464 PolarHBondContact O-N 2.95Å; L464-R467 PolarHBondContact O-N 3.03Å; L464-L468 PolarHBondContact O-N 3.1Å |
| 465 | L | 94 | Very high | 89.1 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 179 | -68.9 | 168.7 | 0 | 0 | 0 | 112.3 | L400 F428 F438 A461 R462 L468 V469 S507 | L400-L465 HydrophobicContact CD2-CD2 4.45Å; F428-L465 HydrophobicContact CE1-CD2 4.08Å; F428-L465 HydrophobicContact CZ-CD2 4.4Å; F438-L465 HydrophobicContact CZ-CD1 4.3Å; F438-L465 HydrophobicContact CZ-CD2 4.25Å; F438-L465 HydrophobicContact CZ-CG 4.1Å; A461-L465 WeakPolarHBondContact O-CB 3.42Å; A461-L465 WeakPolarHBondContact O-CD1 3.27Å; A461-L465 WeakPolarHBondContact O-CG 3.23Å; A461-L465 PolarHBondContact O-N 3.34Å; R462-L465 PolarHBondContact O-N 3.43Å; L465-L468 PolarHBondContact O-N 3.09Å; L465-V469 WeakPolarHBondContact O-CG2 3.36Å; L465-V469 PolarHBondContact O-N 3.03Å; L465-S507 WeakPolarHBondContact CD1-O 3.43Å |
| 466 | H | 92.4 | Very high | 89 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 33% | 0.329 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 173.7 | -88.3 | -101.3 | 0 | 0 | 0 | 112.9 | R462 L468 E510 P512 | R462-H466 VanDerWaalsContact CZ-NE2 3.25Å; R462-H466 PolarHBondContact NH2-CE1 3.01Å; R462-H466 PolarHBondContact NH2-NE2 3.35Å; R462-H466 VanDerWaalsContact NH2-NE2 3.18Å; R462-H466 VanDerWaalsContact O-CB 3.28Å; R462-H466 WeakPolarHBondContact O-CB 3.48Å; R462-H466 PolarHBondContact O-CD2 3.48Å; R462-H466 VanDerWaalsContact O-CD2 3.26Å; R462-H466 PolarHBondContact O-N 3.46Å; H466-L468 VanDerWaalsContact C-N 3.27Å; H466-L468 PolarHBondContact O-N 2.92Å; H466-E510 PolarHBondContact CD2-O 3.32Å; H466-P512 HydrophobicContact CB-CG 4.33Å |
| 467 | R | 90.8 | Very high | 88.8 | Confident | 88 Ų | 88 | 55.3 Ų | 55.3 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 175.4 | -175.4 | 169.4 | -62.8 | -174.1 | 5.9 | 111.8 | E402 I405 L409 L463 L464 Q470 | E402-R467 IonicContact OE1-CZ 2.72Å; E402-R467 IonicContact OE1-NE 3.9Å; E402-R467 IonicContact OE1-NH1 3.01Å; E402-R467 PolarHBondContact OE1-NH1 2.96Å; E402-R467 IonicContact OE2-CZ 3.48Å; E402-R467 IonicContact OE2-NE 3.01Å; E402-R467 IonicContact OE2-NH1 3.32Å; E402-R467 PolarHBondContact OE2-NH1 3.39Å; I405-R467 HydrophobicContact CG2-CB 4.5Å; I405-R467 HydrophobicContact CG2-CG 3.93Å; L409-R467 HydrophobicContact CD1-CG 3.91Å; L463-R467 VanDerWaalsContact O-CB 3.27Å; L463-R467 WeakPolarHBondContact O-CB 3.19Å; L463-R467 PolarHBondContact O-N 2.89Å; L464-R467 PolarHBondContact O-N 3.03Å; R467-Q470 VanDerWaalsContact O-CD 3.27Å; R467-Q470 VanDerWaalsContact O-CG 3.32Å; R467-Q470 WeakPolarHBondContact O-CG 3.23Å; R467-Q470 PolarHBondContact O-NE2 2.97Å |
| 468 | L | 88.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.1 | -42.7 | 178 | -174.4 | 66.8 | 0 | 0 | 0 | 112.7 | I405 W408 F428 L464 L465 H466 Q470 I476 V480 | I405-L468 HydrophobicContact CG2-CD1 4.45Å; W408-L468 HydrophobicContact CE3-CD1 3.51Å; W408-L468 HydrophobicContact CZ3-CD1 3.82Å; W408-L468 HydrophobicContact CZ3-CD2 4.27Å; F428-L468 HydrophobicContact CE1-CD2 4.28Å; F428-L468 HydrophobicContact CE2-CD2 3.47Å; F428-L468 VanDerWaalsContact CE2-CD2 3.47Å; F428-L468 HydrophobicContact CZ-CD2 3.2Å; L464-L468 PolarHBondContact O-N 3.1Å; L465-L468 PolarHBondContact O-N 3.09Å; H466-L468 VanDerWaalsContact C-N 3.27Å; H466-L468 PolarHBondContact O-N 2.92Å; L468-Q470 PolarHBondContact O-N 3.19Å; L468-I476 HydrophobicContact CD1-CG2 3.56Å; L468-I476 HydrophobicContact CG-CG2 4.04Å; L468-V480 HydrophobicContact CD2-CG2 3.86Å; L468-V480 HydrophobicContact CG-CG2 4.48Å |
| 469 | V | 86.3 | Confident | 88.6 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 16% | 0.158 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -93.1 | 75.7 | -175.1 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | L465 P512 L513 | L465-V469 WeakPolarHBondContact O-CG2 3.36Å; L465-V469 PolarHBondContact O-N 3.03Å; V469-P512 HydrophobicContact CB-CB 4.18Å; V469-P512 HydrophobicContact CB-CG 3.98Å; V469-P512 HydrophobicContact CG1-CB 3.91Å; V469-P512 HydrophobicContact CG1-CG 4.28Å; V469-L513 HydrophobicContact CG1-CD2 3.74Å; V469-L513 HydrophobicContact CG1-CG 4Å; V469-L513 HydrophobicContact CG2-CD1 4.28Å; V469-L513 HydrophobicContact CG2-CD2 4.42Å; V469-L513 HydrophobicContact CG2-CG 3.97Å |
| 470 | Q | 79.8 | Confident | 88.7 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | trans | -106.2 | 154.1 | 178.5 | -70.5 | -179.5 | -5.9 | 0 | 0 | 112.2 | R467 L468 D472 H473 | R467-Q470 VanDerWaalsContact O-CD 3.27Å; R467-Q470 VanDerWaalsContact O-CG 3.32Å; R467-Q470 WeakPolarHBondContact O-CG 3.23Å; R467-Q470 PolarHBondContact O-NE2 2.97Å; L468-Q470 PolarHBondContact O-N 3.19Å; Q470-D472 VanDerWaalsContact C-N 3.26Å; Q470-D472 PolarHBondContact O-N 3.5Å; Q470-H473 PolarHBondContact O-N 3.15Å | ||
| 471 | Q | 74.4 | Confident | 88.8 | Confident | 187 Ų | 187 | 54.1 Ų | 54.1 | 87% | 0.874 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -28 | 176.7 | -68.6 | -171.4 | -6.9 | 0 | 0 | 112.6 | H473 | Q471-H473 VanDerWaalsContact C-N 3.27Å; Q471-H473 PolarHBondContact O-N 3.29Å |
| 472 | D | 76.8 | Confident | 88.8 | Confident | 127 Ų | 127 | 55.4 Ų | 55.4 | 68% | 0.679 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -19.4 | -178.2 | -60.3 | -38.5 | 0 | 0 | 0 | 113.2 | Q470 P474 | Q470-D472 VanDerWaalsContact C-N 3.26Å; Q470-D472 PolarHBondContact O-N 3.5Å; D472-P474 VanDerWaalsContact C-CD 3.49Å; D472-P474 WeakPolarHBondContact O-CD 3.47Å |
| 473 | H | 83.1 | Confident | 88.9 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -127.1 | 61.8 | -177.5 | -62.1 | -84.6 | 0 | 0 | 0 | 112.6 | L409 Q470 Q471 K475 I476 S477 | L409-H473 PolarHBondContact O-CE1 3.4Å; Q470-H473 PolarHBondContact O-N 3.15Å; Q471-H473 VanDerWaalsContact C-N 3.27Å; Q471-H473 PolarHBondContact O-N 3.29Å; H473-K475 PolarHBondContact O-N 3.13Å; H473-K475 VanDerWaalsContact O-N 3.11Å; H473-I476 HydrophobicContact CB-CB 4.5Å; H473-I476 HydrophobicContact CB-CD1 4.02Å; H473-I476 HydrophobicContact CB-CG1 4.37Å; H473-I476 PolarHBondContact O-N 2.98Å; H473-I476 VanDerWaalsContact O-N 3.12Å; H473-S477 PolarHBondContact O-N 3.26Å | ||
| 474 | P | 85.7 | Confident | 89 | Confident | 69 Ų | 69 | 48.8 Ų | 48.8 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -26.7 | -171.8 | 26.1 | -35 | 0 | 0 | 0 | 113.4 | D472 S477 Q478 | D472-P474 VanDerWaalsContact C-CD 3.49Å; D472-P474 WeakPolarHBondContact O-CD 3.47Å; P474-S477 PolarHBondContact O-N 3.38Å; P474-Q478 WeakPolarHBondContact O-CB 3.49Å; P474-Q478 VanDerWaalsContact O-CG 3.24Å; P474-Q478 WeakPolarHBondContact O-CG 3.5Å; P474-Q478 PolarHBondContact O-N 3.04Å |
| 475 | K | 87.5 | Confident | 89.1 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 39% | 0.387 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 178.8 | -63.6 | 178.5 | -173.9 | 160.7 | 0 | 112.6 | P413 G414 L416 H473 Q479 | P413-K475 PolarHBondContact O-NZ 3.47Å; G414-K475 WeakPolarHBondContact O-CD 3.26Å; G414-K475 PolarHBondContact O-NZ 3.41Å; L416-K475 HydrophobicContact CD1-CB 3.64Å; L416-K475 HydrophobicContact CG-CB 4.25Å; H473-K475 PolarHBondContact O-N 3.13Å; H473-K475 VanDerWaalsContact O-N 3.11Å; K475-Q479 WeakPolarHBondContact O-CB 3.28Å; K475-Q479 PolarHBondContact O-N 3.45Å |
| 476 | I | 89.4 | Confident | 89.1 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.6 | -49.6 | 176.2 | -64.8 | 176.7 | 0 | 0 | 0 | 108.5 | W408 L409 L416 I424 L468 H473 Q478 Q479 V480 | W408-I476 HydrophobicContact CB-CD1 4.32Å; L409-I476 HydrophobicContact CD2-CD1 4.43Å; L416-I476 HydrophobicContact CD1-CG1 4.28Å; L416-I476 HydrophobicContact CD2-CG1 3.92Å; I424-I476 HydrophobicContact CD1-CG1 4.48Å; I424-I476 HydrophobicContact CD1-CG2 4.22Å; L468-I476 HydrophobicContact CD1-CG2 3.56Å; L468-I476 HydrophobicContact CG-CG2 4.04Å; H473-I476 HydrophobicContact CB-CB 4.5Å; H473-I476 HydrophobicContact CB-CD1 4.02Å; H473-I476 HydrophobicContact CB-CG1 4.37Å; H473-I476 PolarHBondContact O-N 2.98Å; H473-I476 VanDerWaalsContact O-N 3.12Å; I476-Q478 VanDerWaalsContact C-N 3.3Å; I476-Q478 PolarHBondContact O-N 2.99Å; I476-Q479 PolarHBondContact O-N 3.31Å; I476-Q479 VanDerWaalsContact O-N 3.13Å; I476-V480 HydrophobicContact CG2-CG2 4.32Å; I476-V480 VanDerWaalsContact O-CG2 3.29Å; I476-V480 WeakPolarHBondContact O-CG2 3.48Å; I476-V480 PolarHBondContact O-N 2.81Å |
| 477 | S | 90.6 | Very high | 89.1 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | H473 P474 A481 | H473-S477 PolarHBondContact O-N 3.26Å; P474-S477 PolarHBondContact O-N 3.38Å; S477-A481 WeakPolarHBondContact O-CB 3.42Å; S477-A481 PolarHBondContact O-N 3.42Å |
| 478 | Q | 91.1 | Very high | 89.3 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 175.7 | -76.6 | 172.9 | 0.6 | 0 | 0 | 112.6 | P474 I476 A481 A482 | P474-Q478 WeakPolarHBondContact O-CB 3.49Å; P474-Q478 VanDerWaalsContact O-CG 3.24Å; P474-Q478 WeakPolarHBondContact O-CG 3.5Å; P474-Q478 PolarHBondContact O-N 3.04Å; I476-Q478 VanDerWaalsContact C-N 3.3Å; I476-Q478 PolarHBondContact O-N 2.99Å; Q478-A481 PolarHBondContact O-N 3.45Å; Q478-A482 WeakPolarHBondContact O-CB 3.44Å; Q478-A482 PolarHBondContact O-N 3.34Å |
| 479 | Q | 92 | Very high | 89.6 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 177.3 | -168.6 | 65.5 | 25.9 | 0 | 0 | 110.5 | S421 I424 D425 K475 I476 A481 A482 S483 | S421-Q479 PolarHBondContact OG-NE2 2.66Å; I424-Q479 HydrophobicContact CB-CG 4.46Å; I424-Q479 HydrophobicContact CG2-CB 4.29Å; I424-Q479 HydrophobicContact CG2-CG 3.94Å; D425-Q479 PolarHBondContact OD1-NE2 2.91Å; D425-Q479 PolarHBondContact OD2-NE2 3.03Å; K475-Q479 WeakPolarHBondContact O-CB 3.28Å; K475-Q479 PolarHBondContact O-N 3.45Å; I476-Q479 PolarHBondContact O-N 3.31Å; I476-Q479 VanDerWaalsContact O-N 3.13Å; Q479-A481 VanDerWaalsContact C-N 3.34Å; Q479-A481 PolarHBondContact O-N 3.3Å; Q479-A482 WeakPolarHBondContact O-CB 3.29Å; Q479-A482 PolarHBondContact O-N 3.46Å; Q479-A482 VanDerWaalsContact O-N 3.12Å; Q479-S483 PolarHBondContact O-N 3.44Å; Q479-S483 PolarHBondContact O-OG 3.29Å |
| 480 | V | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.7 | -47.6 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | I424 F428 L468 I476 A482 S483 L484 L513 | I424-V480 HydrophobicContact CG2-CG2 3.77Å; F428-V480 HydrophobicContact CD1-CG1 3.59Å; F428-V480 HydrophobicContact CD2-CG1 4.19Å; F428-V480 HydrophobicContact CD2-CG2 3.85Å; F428-V480 HydrophobicContact CE1-CG1 3.71Å; F428-V480 HydrophobicContact CE2-CG1 4.31Å; F428-V480 HydrophobicContact CE2-CG2 3.81Å; F428-V480 HydrophobicContact CG-CB 4.49Å; F428-V480 HydrophobicContact CG-CG1 3.84Å; F428-V480 HydrophobicContact CG-CG2 4.31Å; F428-V480 HydrophobicContact CZ-CG1 4.09Å; F428-V480 HydrophobicContact CZ-CG2 4.23Å; L468-V480 HydrophobicContact CD2-CG2 3.86Å; L468-V480 HydrophobicContact CG-CG2 4.48Å; I476-V480 HydrophobicContact CG2-CG2 4.32Å; I476-V480 VanDerWaalsContact O-CG2 3.29Å; I476-V480 WeakPolarHBondContact O-CG2 3.48Å; I476-V480 PolarHBondContact O-N 2.81Å; V480-A482 VanDerWaalsContact C-N 3.33Å; V480-A482 PolarHBondContact O-N 2.96Å; V480-S483 PolarHBondContact O-N 3.26Å; V480-L484 HydrophobicContact CG1-CD1 4.05Å; V480-L484 HydrophobicContact CG1-CG 4.38Å; V480-L484 VanDerWaalsContact O-CG 3.27Å; V480-L484 WeakPolarHBondContact O-CG 3.49Å; V480-L484 PolarHBondContact O-N 3.42Å; V480-L513 HydrophobicContact CB-CD1 4.15Å; V480-L513 HydrophobicContact CG1-CD1 3.58Å |
| 481 | A | 94.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | S477 Q478 Q479 L484 E485 L513 I523 | S477-A481 WeakPolarHBondContact O-CB 3.42Å; S477-A481 PolarHBondContact O-N 3.42Å; Q478-A481 PolarHBondContact O-N 3.45Å; Q479-A481 VanDerWaalsContact C-N 3.34Å; Q479-A481 PolarHBondContact O-N 3.3Å; A481-L484 PolarHBondContact O-N 2.88Å; A481-E485 WeakPolarHBondContact O-CB 3.41Å; A481-E485 PolarHBondContact O-N 3.25Å; A481-L513 HydrophobicContact CB-CD1 4.16Å; A481-L513 HydrophobicContact CB-CD2 4.33Å; A481-I523 HydrophobicContact CB-CD1 3.94Å |
| 482 | A | 94.7 | Very high | 91.3 | Very high | 28 Ų | 28 | 53.5 Ų | 53.5 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q478 Q479 V480 K486 | Q478-A482 WeakPolarHBondContact O-CB 3.44Å; Q478-A482 PolarHBondContact O-N 3.34Å; Q479-A482 WeakPolarHBondContact O-CB 3.29Å; Q479-A482 PolarHBondContact O-N 3.46Å; Q479-A482 VanDerWaalsContact O-N 3.12Å; V480-A482 VanDerWaalsContact C-N 3.33Å; V480-A482 PolarHBondContact O-N 2.96Å; A482-K486 WeakPolarHBondContact O-CB 3.34Å; A482-K486 WeakPolarHBondContact O-CG 3.25Å; A482-K486 PolarHBondContact O-N 3.04Å |
| 483 | S | 95.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.8 | -37 | 0 | 0 | 0 | 0 | 111.2 | D425 Q479 V480 E487 L488 | D425-S483 PolarHBondContact OD1-OG 3.03Å; Q479-S483 PolarHBondContact O-N 3.44Å; Q479-S483 PolarHBondContact O-OG 3.29Å; V480-S483 PolarHBondContact O-N 3.26Å; S483-E487 WeakPolarHBondContact O-CB 3.39Å; S483-E487 PolarHBondContact O-N 3.38Å; S483-E487 VanDerWaalsContact O-N 3.08Å; S483-L488 PolarHBondContact O-N 3.06Å |
| 484 | L | 95.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -64.3 | -47.4 | 176.7 | -69.8 | 177.3 | 0 | 0 | 0 | 112.2 | F428 V480 A481 L488 I489 L508 L513 I523 | F428-L484 HydrophobicContact CD1-CD2 4.18Å; F428-L484 HydrophobicContact CD1-CG 4.49Å; V480-L484 HydrophobicContact CG1-CD1 4.05Å; V480-L484 HydrophobicContact CG1-CG 4.38Å; V480-L484 VanDerWaalsContact O-CG 3.27Å; V480-L484 WeakPolarHBondContact O-CG 3.49Å; V480-L484 PolarHBondContact O-N 3.42Å; A481-L484 PolarHBondContact O-N 2.88Å; L484-L488 HydrophobicContact CD2-CB 4.29Å; L484-L488 HydrophobicContact CD2-CD2 3.42Å; L484-L488 VanDerWaalsContact CD2-CD2 3.42Å; L484-L488 HydrophobicContact CD2-CG 4.46Å; L484-L488 PolarHBondContact O-N 2.9Å; L484-I489 HydrophobicContact CB-CD1 4.48Å; L484-I489 WeakPolarHBondContact O-CG1 3.49Å; L484-I489 PolarHBondContact O-N 2.92Å; L484-L508 HydrophobicContact CD2-CD2 3.98Å; L484-L513 HydrophobicContact CD1-CD1 3.95Å; L484-I523 HydrophobicContact CB-CD1 4.47Å |
| 485 | E | 94.9 | Very high | 92.5 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -65.7 | -49 | -178 | 179.9 | -175.1 | 165.2 | 0 | 0 | 112.2 | A481 P490 I523 | A481-E485 WeakPolarHBondContact O-CB 3.41Å; A481-E485 PolarHBondContact O-N 3.25Å; E485-P490 VanDerWaalsContact O-CD 3.3Å; E485-P490 WeakPolarHBondContact O-CD 3.42Å; E485-P490 VanDerWaalsContact O-CG 3.22Å; E485-P490 WeakPolarHBondContact O-CG 3.32Å; E485-I523 HydrophobicContact CB-CG1 4.35Å |
| 486 | K | 93.8 | Very high | 92.7 | Very high | 146 Ų | 146 | 46.4 Ų | 46.4 | 64% | 0.635 | 25% | 0.249 | S | C | * | . | I | π-helix | trans | -85.3 | -35.3 | -170.6 | -65.8 | 178.8 | -178.9 | 174.8 | 0 | 113.4 | A482 | A482-K486 WeakPolarHBondContact O-CB 3.34Å; A482-K486 WeakPolarHBondContact O-CG 3.25Å; A482-K486 PolarHBondContact O-N 3.04Å |
| 487 | E | 92.9 | Very high | 92.6 | Very high | 83 Ų | 83 | 49 Ų | 49 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -113.7 | -49.2 | -168.1 | -61 | -63.6 | 147.6 | 0 | 0 | 113.2 | S483 K491 | S483-E487 WeakPolarHBondContact O-CB 3.39Å; S483-E487 PolarHBondContact O-N 3.38Å; S483-E487 VanDerWaalsContact O-N 3.08Å; E487-K491 WeakPolarHBondContact O-CD 3.27Å; E487-K491 WeakPolarHBondContact O-CE 3.44Å; E487-K491 WeakPolarHBondContact O-CG 3.4Å; E487-K491 WeakPolarHBondContact OE2-CE 3.31Å; E487-K491 IonicContact OE2-NZ 3.4Å; E487-K491 PolarHBondContact OE2-NZ 2.96Å |
| 488 | L | 94.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -79.5 | -60.3 | -169.7 | -174.5 | 65.9 | 0 | 0 | 0 | 113.4 | F428 A431 L434 S483 L484 K491 L492 L504 L508 | F428-L488 WeakPolarHBondContact O-CB 3.3Å; A431-L488 HydrophobicContact CB-CD1 3.79Å; L434-L488 HydrophobicContact CD1-CD2 3.67Å; S483-L488 PolarHBondContact O-N 3.06Å; L484-L488 HydrophobicContact CD2-CB 4.29Å; L484-L488 HydrophobicContact CD2-CD2 3.42Å; L484-L488 VanDerWaalsContact CD2-CD2 3.42Å; L484-L488 HydrophobicContact CD2-CG 4.46Å; L484-L488 PolarHBondContact O-N 2.9Å; L488-K491 PolarHBondContact O-N 3.23Å; L488-K491 VanDerWaalsContact O-N 3.1Å; L488-L492 PolarHBondContact O-N 2.94Å; L488-L504 HydrophobicContact CD1-CD2 4.19Å; L488-L504 HydrophobicContact CD2-CD1 4.38Å; L488-L504 HydrophobicContact CD2-CD2 4.14Å; L488-L504 HydrophobicContact CG-CD2 4.31Å; L488-L508 HydrophobicContact CD2-CD1 3.95Å; L488-L508 HydrophobicContact CD2-CD2 4.24Å |
| 489 | I | 95.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -59.9 | -44.4 | -172.4 | -66.6 | 170.7 | 0 | 0 | 0 | 111.8 | L484 K491 L492 I523 P526 F527 C530 | L484-I489 HydrophobicContact CB-CD1 4.48Å; L484-I489 WeakPolarHBondContact O-CG1 3.49Å; L484-I489 PolarHBondContact O-N 2.92Å; I489-K491 PolarHBondContact O-N 3.17Å; I489-L492 WeakPolarHBondContact O-CG 3.47Å; I489-L492 PolarHBondContact O-N 3.43Å; I489-I523 HydrophobicContact CD1-CB 4.23Å; I489-I523 HydrophobicContact CD1-CG2 3.65Å; I489-P526 HydrophobicContact CG2-CB 3.87Å; I489-F527 HydrophobicContact CD1-CB 4.4Å; I489-C530 PolarHBondContact O-SG 2.86Å |
| 490 | P | 93.5 | Very high | 92.8 | Very high | 90 Ų | 90 | 42 Ų | 42 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -63.7 | -22.4 | 178.3 | -23.7 | 35.6 | 0 | 0 | 0 | 114.4 | E485 | E485-P490 VanDerWaalsContact O-CD 3.3Å; E485-P490 WeakPolarHBondContact O-CD 3.42Å; E485-P490 VanDerWaalsContact O-CG 3.22Å; E485-P490 WeakPolarHBondContact O-CG 3.32Å |
| 491 | K | 90.9 | Very high | 92.9 | Very high | 119 Ų | 119 | 42.2 Ų | 42.2 | 52% | 0.517 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -91.7 | -0.7 | -178.8 | -66.8 | 179.8 | -164.4 | 168.5 | 0 | 113.5 | E487 L488 I489 S493 | E487-K491 WeakPolarHBondContact O-CD 3.27Å; E487-K491 WeakPolarHBondContact O-CE 3.44Å; E487-K491 WeakPolarHBondContact O-CG 3.4Å; E487-K491 WeakPolarHBondContact OE2-CE 3.31Å; E487-K491 IonicContact OE2-NZ 3.4Å; E487-K491 PolarHBondContact OE2-NZ 2.96Å; L488-K491 PolarHBondContact O-N 3.23Å; L488-K491 VanDerWaalsContact O-N 3.1Å; I489-K491 PolarHBondContact O-N 3.17Å; K491-S493 PolarHBondContact O-N 2.97Å |
| 492 | L | 91.6 | Very high | 92.9 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 13% | 0.131 | 23% | 0.231 | C | C | . | . | trans | -69.1 | 122 | 178.3 | -61.9 | -177.2 | 0 | 0 | 0 | 111.3 | L488 I489 L504 Y505 F527 C530 | L488-L492 PolarHBondContact O-N 2.94Å; I489-L492 WeakPolarHBondContact O-CG 3.47Å; I489-L492 PolarHBondContact O-N 3.43Å; L492-L504 HydrophobicContact CD1-CD2 4.42Å; L492-L504 HydrophobicContact CD2-CD2 3.47Å; L492-L504 VanDerWaalsContact CD2-CD2 3.47Å; L492-Y505 HydrophobicContact CD1-CE1 4.16Å; L492-F527 HydrophobicContact CD1-CD2 4.45Å; L492-C530 HydrophobicContact CB-CB 4.18Å; L492-C530 HydrophobicContact CD1-CB 4.15Å | ||
| 493 | S | 88.5 | Confident | 93 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | trans | -78.4 | 140.7 | -177.5 | 178 | 0 | 0 | 0 | 0 | 112.3 | K491 S495 Y505 | K491-S493 PolarHBondContact O-N 2.97Å; S493-S495 PolarHBondContact O-N 3.34Å; S493-S495 PolarHBondContact OG-N 2.82Å; S493-S495 VanDerWaalsContact OG-N 3.07Å; S493-S495 PolarHBondContact OG-O 3.41Å; S493-Y505 PolarHBondContact O-OH 3.11Å | ||
| 494 | S | 91.6 | Very high | 92.9 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -69.6 | -14.6 | 169.6 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | S533 K535 | S494-S533 WeakPolarHBondContact CB-O 3.28Å; S494-K535 PolarHBondContact O-N 2.86Å |
| 495 | S | 91.1 | Very high | 92.9 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 38% | 0.378 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -137.9 | 72.7 | -178.9 | -170.3 | 0 | 0 | 0 | 0 | 110 | S493 | S493-S495 PolarHBondContact O-N 3.34Å; S493-S495 PolarHBondContact OG-N 2.82Å; S493-S495 VanDerWaalsContact OG-N 3.07Å; S493-S495 PolarHBondContact OG-O 3.41Å |
| 496 | P | 90.4 | Very high | 92.9 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 13% | 0.13 | 20% | 0.203 | C | C | . | . | trans | -58.5 | 148 | 179.8 | -23.5 | 35.3 | 0 | 0 | 0 | 112.2 | A501 L502 L534 | P496-A501 HydrophobicContact CB-CB 3.78Å; P496-L502 HydrophobicContact CG-CD2 3.86Å; P496-L534 HydrophobicContact CG-CD2 4.23Å | ||
| 497 | P | 86.9 | Confident | 92.9 | Very high | 59 Ų | 59 | 30 Ų | 30 | 38% | 0.383 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -73.9 | -26.5 | -171.5 | 26.8 | -33.8 | 0 | 0 | 0 | 114.7 | S186 Q188 I190 | S186-P497 WeakPolarHBondContact O-CB 3.46Å; S186-P497 WeakPolarHBondContact O-CG 3.32Å; Q188-P497 VanDerWaalsContact O-CG 3.31Å; Q188-P497 WeakPolarHBondContact O-CG 3.48Å; I190-P497 HydrophobicContact CD1-CB 4.3Å; I190-P497 HydrophobicContact CD1-CG 3.84Å; I190-P497 HydrophobicContact CG1-CG 4.18Å |
| 498 | D | 92.3 | Very high | 93 | Very high | 18 Ų | 18 | 26.2 Ų | 26.2 | 10% | 0.096 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -145.3 | 161.9 | 175 | -172.1 | -97 | 0 | 0 | 0 | 110.2 | I190 F212 R240 E500 A501 | I190-D498 HydrophobicContact CD1-CB 3.7Å; I190-D498 HydrophobicContact CG1-CB 4.25Å; F212-D498 HydrophobicContact CE1-CB 4.48Å; F212-D498 HydrophobicContact CZ-CB 3.87Å; R240-D498 IonicContact CZ-OD1 2.97Å; R240-D498 IonicContact CZ-OD2 3.95Å; R240-D498 IonicContact NH1-OD1 3.79Å; R240-D498 IonicContact NH1-OD2 3.88Å; R240-D498 PolarHBondContact NH1-OD2 2.8Å; R240-D498 IonicContact NH2-OD1 2.74Å; R240-D498 PolarHBondContact NH2-OD1 3.31Å; R240-D498 IonicContact NH2-OD2 2.98Å; R240-D498 PolarHBondContact NH2-OD2 2.85Å; D498-E500 PolarHBondContact O-N 3.4Å; D498-E500 WeakPolarHBondContact OD1-CG 3.23Å; D498-E500 PolarHBondContact OD1-N 2.63Å; D498-A501 WeakPolarHBondContact O-CB 3.27Å; D498-A501 PolarHBondContact O-N 3.44Å |
| 499 | I | 93 | Very high | 93 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -59.8 | -30.4 | 175 | 60.3 | 168.9 | 0 | 0 | 0 | 112.3 | T449 A501 L502 V541 W545 | T449-I499 HydrophobicContact CG2-CD1 4.01Å; T449-I499 HydrophobicContact CG2-CG1 4.36Å; I499-A501 PolarHBondContact O-N 3.42Å; I499-A501 VanDerWaalsContact O-N 3.13Å; I499-L502 VanDerWaalsContact O-CB 3.29Å; I499-L502 WeakPolarHBondContact O-CB 3.39Å; I499-L502 PolarHBondContact O-N 2.97Å; I499-V541 HydrophobicContact CB-CG1 4.36Å; I499-V541 HydrophobicContact CG2-CG1 4Å; I499-V541 HydrophobicContact CG2-CG2 4.1Å; I499-W545 HydrophobicContact CB-CH2 4.29Å; I499-W545 HydrophobicContact CB-CZ2 4.25Å; I499-W545 VanDerWaalsContact O-CH2 3.22Å; I499-W545 WeakPolarHBondContact O-CH2 3.41Å |
| 500 | E | 94.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -58.7 | -28.5 | 177.7 | -71.8 | -169.5 | -133.7 | 0 | 0 | 112.8 | T206 S208 A210 T449 D498 L502 R503 | T206-E500 WeakPolarHBondContact CB-OE2 3.46Å; T206-E500 PolarHBondContact OG1-OE1 2.75Å; T206-E500 PolarHBondContact OG1-OE2 3.13Å; S208-E500 WeakPolarHBondContact CB-OE1 3.44Å; S208-E500 WeakPolarHBondContact CB-OE2 3.43Å; S208-E500 VanDerWaalsContact OG-CD 3.22Å; S208-E500 PolarHBondContact OG-OE2 3.23Å; A210-E500 VanDerWaalsContact CB-OE1 3.27Å; A210-E500 WeakPolarHBondContact CB-OE1 3.34Å; T449-E500 HydrophobicContact CG2-CG 4.09Å; D498-E500 PolarHBondContact O-N 3.4Å; D498-E500 WeakPolarHBondContact OD1-CG 3.23Å; D498-E500 PolarHBondContact OD1-N 2.63Å; E500-L502 PolarHBondContact O-N 3.48Å; E500-R503 WeakPolarHBondContact O-CD 3.13Å; E500-R503 WeakPolarHBondContact O-CG 3.48Å; E500-R503 IonicContact OE2-CZ 3.91Å; E500-R503 IonicContact OE2-NH1 3.49Å; E500-R503 PolarHBondContact OE2-NH1 3.43Å; E500-R503 IonicContact OE2-NH2 3.87Å |
| 501 | A | 94.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -69 | -20.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A189 I190 N435 P496 D498 I499 R503 | A189-A501 HydrophobicContact CB-CB 3.76Å; I190-A501 HydrophobicContact CG1-CB 4.49Å; N435-A501 PolarHBondContact ND2-O 3.07Å; P496-A501 HydrophobicContact CB-CB 3.78Å; D498-A501 WeakPolarHBondContact O-CB 3.27Å; D498-A501 PolarHBondContact O-N 3.44Å; I499-A501 PolarHBondContact O-N 3.42Å; I499-A501 VanDerWaalsContact O-N 3.13Å; A501-R503 VanDerWaalsContact C-N 3.31Å; A501-R503 PolarHBondContact O-N 3.21Å |
| 502 | L | 95.7 | Very high | 93 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -77.2 | -14.3 | -177.6 | -67.6 | 172.4 | 0 | 0 | 0 | 113.9 | P496 I499 E500 L504 Y505 L534 P538 V541 W545 | P496-L502 HydrophobicContact CG-CD2 3.86Å; I499-L502 VanDerWaalsContact O-CB 3.29Å; I499-L502 WeakPolarHBondContact O-CB 3.39Å; I499-L502 PolarHBondContact O-N 2.97Å; E500-L502 PolarHBondContact O-N 3.48Å; L502-L504 PolarHBondContact O-N 3.2Å; L502-Y505 HydrophobicContact CD2-CD2 3.99Å; L502-Y505 HydrophobicContact CD2-CE2 3.94Å; L502-Y505 WeakPolarHBondContact O-CB 3.41Å; L502-Y505 WeakPolarHBondContact O-CD2 3.4Å; L502-Y505 PolarHBondContact O-N 2.86Å; L502-Y505 VanDerWaalsContact O-N 3.07Å; L502-L534 HydrophobicContact CD2-CD1 4.45Å; L502-P538 HydrophobicContact CD1-CB 4.09Å; L502-P538 HydrophobicContact CD2-CB 3.99Å; L502-V541 HydrophobicContact CD1-CB 3.96Å; L502-V541 HydrophobicContact CD1-CG1 3.92Å; L502-W545 HydrophobicContact CB-CE3 4.37Å; L502-W545 HydrophobicContact CB-CH2 3.94Å; L502-W545 HydrophobicContact CB-CZ3 3.45Å; L502-W545 VanDerWaalsContact CB-CZ3 3.45Å |
| 503 | R | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -58.4 | -31.3 | -177.7 | -69.6 | 175.7 | 174.2 | 155.4 | -4.8 | 113.2 | S208 N435 L439 T449 S454 V456 E500 A501 Y505 L506 S507 W545 | S208-R503 PolarHBondContact OG-NH1 2.94Å; S208-R503 PolarHBondContact OG-NH2 3.28Å; N435-R503 VanDerWaalsContact OD1-CB 3.31Å; N435-R503 WeakPolarHBondContact OD1-CB 3.41Å; L439-R503 VanDerWaalsContact CD2-NH1 3.31Å; T449-R503 PolarHBondContact OG1-NH2 3.49Å; S454-R503 PolarHBondContact O-NE 2.95Å; V456-R503 HydrophobicContact CG2-CB 3.54Å; V456-R503 HydrophobicContact CG2-CG 3.43Å; V456-R503 VanDerWaalsContact CG2-CG 3.43Å; E500-R503 WeakPolarHBondContact O-CD 3.13Å; E500-R503 WeakPolarHBondContact O-CG 3.48Å; E500-R503 IonicContact OE2-CZ 3.91Å; E500-R503 IonicContact OE2-NH1 3.49Å; E500-R503 PolarHBondContact OE2-NH1 3.43Å; E500-R503 IonicContact OE2-NH2 3.87Å; A501-R503 VanDerWaalsContact C-N 3.31Å; A501-R503 PolarHBondContact O-N 3.21Å; R503-Y505 PolarHBondContact O-N 3.27Å; R503-L506 WeakPolarHBondContact O-CB 3.49Å; R503-L506 PolarHBondContact O-N 3.31Å; R503-S507 PolarHBondContact O-N 3.45Å; R503-S507 VanDerWaalsContact O-N 3.14Å; R503-S507 PolarHBondContact O-OG 3.27Å; R503-W545 HydrophobicContact CG-CH2 4.39Å; R503-W545 HydrophobicContact CG-CZ3 4.44Å |
| 504 | L | 94.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.9 | -34.2 | 179 | -169.5 | 73.4 | 0 | 0 | 0 | 111.7 | A431 L434 N435 L488 L492 L502 L506 S507 L508 | A431-L504 HydrophobicContact CB-CD2 3.94Å; L434-L504 HydrophobicContact CB-CD1 3.53Å; L434-L504 HydrophobicContact CD1-CD1 3.67Å; L434-L504 HydrophobicContact CG-CD1 4.26Å; N435-L504 WeakPolarHBondContact OD1-CA 3.28Å; N435-L504 VanDerWaalsContact OD1-CB 3.29Å; N435-L504 WeakPolarHBondContact OD1-CB 3.38Å; N435-L504 PolarHBondContact OD1-N 3.04Å; L488-L504 HydrophobicContact CD1-CD2 4.19Å; L488-L504 HydrophobicContact CD2-CD1 4.38Å; L488-L504 HydrophobicContact CD2-CD2 4.14Å; L488-L504 HydrophobicContact CG-CD2 4.31Å; L492-L504 HydrophobicContact CD1-CD2 4.42Å; L492-L504 HydrophobicContact CD2-CD2 3.47Å; L492-L504 VanDerWaalsContact CD2-CD2 3.47Å; L502-L504 PolarHBondContact O-N 3.2Å; L504-L506 PolarHBondContact O-N 3.31Å; L504-S507 PolarHBondContact O-N 3.2Å; L504-L508 HydrophobicContact CD1-CD1 3.81Å; L504-L508 HydrophobicContact CD1-CD2 4.03Å; L504-L508 HydrophobicContact CD1-CG 3.59Å; L504-L508 HydrophobicContact CD2-CD1 3.78Å; L504-L508 HydrophobicContact CD2-CG 4.47Å; L504-L508 HydrophobicContact CG-CD1 3.48Å; L504-L508 VanDerWaalsContact CG-CD1 3.48Å; L504-L508 HydrophobicContact CG-CG 3.67Å; L504-L508 WeakPolarHBondContact O-CB 3.45Å; L504-L508 WeakPolarHBondContact O-CG 3.4Å; L504-L508 PolarHBondContact O-N 3.42Å |
| 505 | Y | 95 | Very high | 93.5 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 2% | 0.02 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.9 | -15.4 | 178.6 | -62.8 | -88.7 | 0 | 0 | 0 | 113.2 | L492 S493 L502 R503 F527 C530 V531 L534 L542 | L492-Y505 HydrophobicContact CD1-CE1 4.16Å; S493-Y505 PolarHBondContact O-OH 3.11Å; L502-Y505 HydrophobicContact CD2-CD2 3.99Å; L502-Y505 HydrophobicContact CD2-CE2 3.94Å; L502-Y505 WeakPolarHBondContact O-CB 3.41Å; L502-Y505 WeakPolarHBondContact O-CD2 3.4Å; L502-Y505 PolarHBondContact O-N 2.86Å; L502-Y505 VanDerWaalsContact O-N 3.07Å; R503-Y505 PolarHBondContact O-N 3.27Å; Y505-F527 AromaticContact CD1-CE2 3.91Å; Y505-F527 HydrophobicContact CD1-CE2 3.91Å; Y505-F527 AromaticContact CD1-CZ 3.99Å; Y505-F527 HydrophobicContact CD1-CZ 3.99Å; Y505-C530 HydrophobicContact CE1-CB 4.14Å; Y505-V531 HydrophobicContact CD1-CG2 3.57Å; Y505-V531 HydrophobicContact CE1-CG2 4.09Å; Y505-L534 HydrophobicContact CE1-CD1 4.37Å; Y505-L542 HydrophobicContact CG-CD2 4.32Å |
| 506 | L | 95.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -88.3 | -48.7 | 171.4 | -54.7 | -178.2 | 0 | 0 | 0 | 110.6 | M458 R503 L504 P509 L542 W545 F549 | M458-L506 HydrophobicContact CE-CB 4.35Å; M458-L506 WeakPolarHBondContact CE-O 3.29Å; M458-L506 HydrophobicContact SD-CB 3.87Å; R503-L506 WeakPolarHBondContact O-CB 3.49Å; R503-L506 PolarHBondContact O-N 3.31Å; L504-L506 PolarHBondContact O-N 3.31Å; L506-P509 WeakPolarHBondContact O-CD 3.26Å; L506-L542 HydrophobicContact CD2-CD1 3.51Å; L506-L542 HydrophobicContact CG-CD1 4.15Å; L506-W545 HydrophobicContact CD1-CB 4.17Å; L506-W545 HydrophobicContact CD1-CD2 4.33Å; L506-W545 HydrophobicContact CD1-CE3 3.7Å; L506-W545 HydrophobicContact CD1-CZ3 4.32Å; L506-W545 HydrophobicContact CD2-CB 4.35Å; L506-W545 HydrophobicContact CD2-CE3 4.49Å; L506-W545 HydrophobicContact CG-CE3 4.21Å; L506-F549 HydrophobicContact CB-CZ 4.16Å; L506-F549 HydrophobicContact CD1-CE1 4.29Å; L506-F549 HydrophobicContact CD2-CE1 3.94Å; L506-F549 HydrophobicContact CD2-CZ 3.7Å; L506-F549 HydrophobicContact CG-CZ 4.34Å |
| 507 | S | 94.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -79.6 | -34.6 | -169.2 | 49.8 | 0 | 0 | 0 | 0 | 114.7 | L465 R503 L504 E510 | L465-S507 WeakPolarHBondContact CD1-O 3.43Å; R503-S507 PolarHBondContact O-N 3.45Å; R503-S507 VanDerWaalsContact O-N 3.14Å; R503-S507 PolarHBondContact O-OG 3.27Å; L504-S507 PolarHBondContact O-N 3.2Å; S507-E510 WeakPolarHBondContact O-CB 3.4Å; S507-E510 PolarHBondContact O-N 2.93Å |
| 508 | L | 94.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -61.1 | -46 | -177.1 | -80.6 | -178.2 | 0 | 0 | 0 | 114.2 | L434 L484 L488 L504 E510 S511 F514 F527 | L434-L508 HydrophobicContact CD1-CD2 3.84Å; L484-L508 HydrophobicContact CD2-CD2 3.98Å; L488-L508 HydrophobicContact CD2-CD1 3.95Å; L488-L508 HydrophobicContact CD2-CD2 4.24Å; L504-L508 HydrophobicContact CD1-CD1 3.81Å; L504-L508 HydrophobicContact CD1-CD2 4.03Å; L504-L508 HydrophobicContact CD1-CG 3.59Å; L504-L508 HydrophobicContact CD2-CD1 3.78Å; L504-L508 HydrophobicContact CD2-CG 4.47Å; L504-L508 HydrophobicContact CG-CD1 3.48Å; L504-L508 VanDerWaalsContact CG-CD1 3.48Å; L504-L508 HydrophobicContact CG-CG 3.67Å; L504-L508 WeakPolarHBondContact O-CB 3.45Å; L504-L508 WeakPolarHBondContact O-CG 3.4Å; L504-L508 PolarHBondContact O-N 3.42Å; L508-E510 PolarHBondContact O-N 2.65Å; L508-S511 VanDerWaalsContact O-CB 3.31Å; L508-S511 WeakPolarHBondContact O-CB 3.4Å; L508-S511 PolarHBondContact O-N 3.41Å; L508-F514 HydrophobicContact CB-CE2 4.07Å; L508-F514 HydrophobicContact CB-CZ 3.91Å; L508-F514 VanDerWaalsContact O-CD2 3.28Å; L508-F514 WeakPolarHBondContact O-CD2 3.44Å; L508-F514 WeakPolarHBondContact O-CE2 3.41Å; L508-F527 HydrophobicContact CB-CE2 4.09Å; L508-F527 HydrophobicContact CD1-CD2 4.18Å; L508-F527 HydrophobicContact CD1-CE2 4.06Å |
| 509 | P | 94.5 | Very high | 93.9 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -60.4 | -17.1 | -180 | -26.3 | 36.5 | 0 | 0 | 0 | 114.9 | L506 S511 F527 L557 | L506-P509 WeakPolarHBondContact O-CD 3.26Å; P509-S511 PolarHBondContact O-N 2.83Å; P509-F527 HydrophobicContact CG-CD1 4.4Å; P509-F527 HydrophobicContact CG-CE1 3.52Å; P509-F527 HydrophobicContact CG-CE2 4.5Å; P509-F527 HydrophobicContact CG-CZ 3.56Å; P509-L557 HydrophobicContact CB-CD1 3.81Å; P509-L557 HydrophobicContact CG-CD1 4.19Å |
| 510 | E | 93.4 | Very high | 94 | Very high | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -74.8 | -8.3 | 174.4 | -66.6 | -60.2 | 137 | 0 | 0 | 113.2 | M458 R462 H466 S507 L508 | M458-E510 HydrophobicContact CE-CG 3.72Å; R462-E510 HydrophobicContact CB-CB 4.18Å; R462-E510 HydrophobicContact CB-CG 4.45Å; R462-E510 WeakPolarHBondContact CD-OE2 3.33Å; R462-E510 HydrophobicContact CG-CB 4.5Å; R462-E510 IonicContact CZ-OE2 3.94Å; R462-E510 IonicContact NH1-OE2 3.22Å; R462-E510 PolarHBondContact NH1-OE2 3.44Å; H466-E510 PolarHBondContact CD2-O 3.32Å; S507-E510 WeakPolarHBondContact O-CB 3.4Å; S507-E510 PolarHBondContact O-N 2.93Å; L508-E510 PolarHBondContact O-N 2.65Å |
| 511 | S | 94.1 | Very high | 94 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -72.6 | 132.6 | 174.3 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | L508 P509 L513 F514 | L508-S511 VanDerWaalsContact O-CB 3.31Å; L508-S511 WeakPolarHBondContact O-CB 3.4Å; L508-S511 PolarHBondContact O-N 3.41Å; P509-S511 PolarHBondContact O-N 2.83Å; S511-L513 PolarHBondContact O-N 3.44Å; S511-L513 PolarHBondContact OG-N 3.13Å; S511-F514 PolarHBondContact O-N 2.91Å |
| 512 | P | 93.8 | Very high | 93.9 | Very high | 29 Ų | 29 | 29.1 Ų | 29.1 | 19% | 0.188 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -56.5 | -21.7 | 176.6 | -25.3 | 33.7 | 0 | 0 | 0 | 114.6 | H466 V469 F514 S515 D516 | H466-P512 HydrophobicContact CB-CG 4.33Å; V469-P512 HydrophobicContact CB-CB 4.18Å; V469-P512 HydrophobicContact CB-CG 3.98Å; V469-P512 HydrophobicContact CG1-CB 3.91Å; V469-P512 HydrophobicContact CG1-CG 4.28Å; P512-F514 PolarHBondContact O-N 3.02Å; P512-S515 PolarHBondContact O-N 3.04Å; P512-S515 VanDerWaalsContact O-N 3.15Å; P512-D516 PolarHBondContact O-N 3.07Å |
| 513 | L | 93.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -59.6 | -28.4 | 176.6 | -64.9 | 176.3 | 0 | 0 | 0 | 112.8 | V469 V480 A481 L484 S511 N519 | V469-L513 HydrophobicContact CG1-CD2 3.74Å; V469-L513 HydrophobicContact CG1-CG 4Å; V469-L513 HydrophobicContact CG2-CD1 4.28Å; V469-L513 HydrophobicContact CG2-CD2 4.42Å; V469-L513 HydrophobicContact CG2-CG 3.97Å; V480-L513 HydrophobicContact CB-CD1 4.15Å; V480-L513 HydrophobicContact CG1-CD1 3.58Å; A481-L513 HydrophobicContact CB-CD1 4.16Å; A481-L513 HydrophobicContact CB-CD2 4.33Å; L484-L513 HydrophobicContact CD1-CD1 3.95Å; S511-L513 PolarHBondContact O-N 3.44Å; S511-L513 PolarHBondContact OG-N 3.13Å; L513-N519 VanDerWaalsContact O-CB 3.32Å; L513-N519 WeakPolarHBondContact O-CB 3.12Å; L513-N519 PolarHBondContact O-ND2 2.99Å; L513-N519 VanDerWaalsContact O-ND2 3.17Å |
| 514 | F | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -72.4 | -31.8 | 179 | -80.3 | -105.4 | 0 | 0 | 0 | 112.2 | L508 S511 P512 Y520 I523 T524 F527 L560 | L508-F514 HydrophobicContact CB-CE2 4.07Å; L508-F514 HydrophobicContact CB-CZ 3.91Å; L508-F514 VanDerWaalsContact O-CD2 3.28Å; L508-F514 WeakPolarHBondContact O-CD2 3.44Å; L508-F514 WeakPolarHBondContact O-CE2 3.41Å; S511-F514 PolarHBondContact O-N 2.91Å; P512-F514 PolarHBondContact O-N 3.02Å; F514-Y520 WeakPolarHBondContact O-CD1 3.41Å; F514-Y520 WeakPolarHBondContact O-CE1 3.44Å; F514-I523 HydrophobicContact CD1-CG2 4.44Å; F514-I523 HydrophobicContact CD2-CG2 4.3Å; F514-I523 HydrophobicContact CE1-CG2 4.08Å; F514-I523 HydrophobicContact CE2-CG2 3.91Å; F514-I523 HydrophobicContact CZ-CG2 3.79Å; F514-T524 WeakPolarHBondContact CA-OG1 3.48Å; F514-T524 HydrophobicContact CD1-CG2 4.09Å; F514-T524 PolarHBondContact O-OG1 3.48Å; F514-F527 HydrophobicContact CE1-CB 3.74Å; F514-F527 AromaticContact CE1-CD1 3.91Å; F514-F527 HydrophobicContact CE1-CD1 3.91Å; F514-F527 HydrophobicContact CE1-CD2 4.21Å; F514-F527 AromaticContact CE1-CG 3.68Å; F514-F527 HydrophobicContact CE1-CG 3.68Å; F514-F527 HydrophobicContact CZ-CB 4.29Å; F514-F527 HydrophobicContact CZ-CD2 4.23Å; F514-F527 HydrophobicContact CZ-CG 4.15Å; F514-L560 HydrophobicContact CB-CD1 4.35Å; F514-L560 HydrophobicContact CB-CD2 3.96Å; F514-L560 HydrophobicContact CD1-CD2 4.48Å; F514-L560 VanDerWaalsContact O-CD1 3.26Å; F514-L560 WeakPolarHBondContact O-CD1 3.5Å |
| 515 | S | 92.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 29 Ų | 29 | 51% | 0.51 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -14.7 | -179.8 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | P512 Y520 | P512-S515 PolarHBondContact O-N 3.04Å; P512-S515 VanDerWaalsContact O-N 3.15Å; S515-Y520 WeakPolarHBondContact O-CE1 3.49Å; S515-Y520 PolarHBondContact O-OH 2.83Å; S515-Y520 VanDerWaalsContact O-OH 3.1Å |
| 516 | D | 91.8 | Very high | 94.2 | Very high | 80 Ų | 80 | 30.4 Ų | 30.4 | 43% | 0.428 | 17% | 0.168 | S | C | . | . | trans | -75 | 124.9 | 177.2 | -169.6 | -6.3 | 0 | 0 | 0 | 111.8 | P512 S518 N519 Y520 | P512-D516 PolarHBondContact O-N 3.07Å; D516-S518 PolarHBondContact O-N 3.12Å; D516-S518 PolarHBondContact OD1-N 2.87Å; D516-S518 PolarHBondContact OD1-OG 3.08Å; D516-S518 PolarHBondContact OD2-OG 2.95Å; D516-N519 PolarHBondContact O-N 3.33Å; D516-Y520 WeakPolarHBondContact O-CD1 3.47Å; D516-Y520 WeakPolarHBondContact O-CE1 3.46Å | ||
| 517 | R | 92.2 | Very high | 94.3 | Very high | 154 Ų | 154 | 30.2 Ų | 30.2 | 58% | 0.581 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -59.8 | -30.1 | -177.5 | -65.5 | -176.3 | -179.6 | -172.9 | -0.2 | 112.7 | N519 Y520 F567 | R517-N519 PolarHBondContact O-N 3.09Å; R517-Y520 HydrophobicContact CB-CE2 4.45Å; R517-Y520 HydrophobicContact CG-CE2 4Å; R517-Y520 PolarHBondContact O-N 3.18Å; R517-F567 HydrophobicContact CB-CE2 4.49Å |
| 518 | S | 90.9 | Very high | 94.5 | Very high | 80 Ų | 80 | 30.1 Ų | 30.1 | 56% | 0.559 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -65.1 | -25.8 | 177.4 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | D516 | D516-S518 PolarHBondContact O-N 3.12Å; D516-S518 PolarHBondContact OD1-N 2.87Å; D516-S518 PolarHBondContact OD1-OG 3.08Å; D516-S518 PolarHBondContact OD2-OG 2.95Å |
| 519 | N | 93.9 | Very high | 94.6 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -101.1 | -1.6 | -172.9 | -60.1 | -24.5 | 0 | 0 | 0 | 112.9 | L513 D516 R517 I521 T522 I523 T524 | L513-N519 VanDerWaalsContact O-CB 3.32Å; L513-N519 WeakPolarHBondContact O-CB 3.12Å; L513-N519 PolarHBondContact O-ND2 2.99Å; L513-N519 VanDerWaalsContact O-ND2 3.17Å; D516-N519 PolarHBondContact O-N 3.33Å; R517-N519 PolarHBondContact O-N 3.09Å; N519-I521 VanDerWaalsContact C-N 3.3Å; N519-I521 PolarHBondContact O-N 3.18Å; N519-T522 PolarHBondContact O-N 3.33Å; N519-T522 PolarHBondContact O-OG1 3.32Å; N519-I523 HydrophobicContact CB-CB 4.32Å; N519-I523 HydrophobicContact CB-CD1 4.15Å; N519-I523 HydrophobicContact CB-CG1 4.38Å; N519-I523 WeakPolarHBondContact O-CB 2.99Å; N519-I523 PolarHBondContact O-N 3.18Å; N519-T524 PolarHBondContact O-N 3.11Å |
| 520 | Y | 95.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -58.2 | -44.4 | -178.5 | -74.6 | 0.9 | 0 | 0 | 0 | 112 | F514 S515 D516 R517 T524 I525 V564 F567 | F514-Y520 WeakPolarHBondContact O-CD1 3.41Å; F514-Y520 WeakPolarHBondContact O-CE1 3.44Å; S515-Y520 WeakPolarHBondContact O-CE1 3.49Å; S515-Y520 PolarHBondContact O-OH 2.83Å; S515-Y520 VanDerWaalsContact O-OH 3.1Å; D516-Y520 WeakPolarHBondContact O-CD1 3.47Å; D516-Y520 WeakPolarHBondContact O-CE1 3.46Å; R517-Y520 HydrophobicContact CB-CE2 4.45Å; R517-Y520 HydrophobicContact CG-CE2 4Å; R517-Y520 PolarHBondContact O-N 3.18Å; Y520-T524 PolarHBondContact O-N 2.72Å; Y520-I525 WeakPolarHBondContact O-CB 3.38Å; Y520-I525 WeakPolarHBondContact O-CD1 3.35Å; Y520-I525 VanDerWaalsContact O-CG1 3.23Å; Y520-I525 WeakPolarHBondContact O-CG1 3.27Å; Y520-I525 PolarHBondContact O-N 2.99Å; Y520-V564 HydrophobicContact CD1-CG2 4.05Å; Y520-V564 HydrophobicContact CD2-CB 4.4Å; Y520-V564 HydrophobicContact CD2-CG2 3.88Å; Y520-V564 HydrophobicContact CE1-CG2 4.19Å; Y520-V564 HydrophobicContact CE2-CG2 4.03Å; Y520-V564 HydrophobicContact CG-CG2 3.91Å; Y520-F567 HydrophobicContact CD2-CB 3.79Å; Y520-F567 AromaticContact CD2-CD1 3.7Å; Y520-F567 HydrophobicContact CD2-CD1 3.7Å; Y520-F567 HydrophobicContact CD2-CD2 4.32Å; Y520-F567 HydrophobicContact CD2-CE1 4.35Å; Y520-F567 AromaticContact CD2-CG 3.67Å; Y520-F567 HydrophobicContact CD2-CG 3.67Å; Y520-F567 HydrophobicContact CE2-CB 3.86Å; Y520-F567 HydrophobicContact CE2-CG 4.14Å |
| 521 | I | 93.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 36% | 0.359 | 19% | 0.189 | S | C | . | . | I | π-helix | trans | -74 | -35.2 | -177.8 | -65.8 | 170.5 | 0 | 0 | 0 | 112 | N519 P526 F567 M571 F587 | N519-I521 VanDerWaalsContact C-N 3.3Å; N519-I521 PolarHBondContact O-N 3.18Å; I521-P526 VanDerWaalsContact O-CD 3.25Å; I521-P526 WeakPolarHBondContact O-CD 3.39Å; I521-P526 VanDerWaalsContact O-CG 3.32Å; I521-P526 WeakPolarHBondContact O-CG 3.41Å; I521-F567 HydrophobicContact CD1-CE1 4.25Å; I521-F567 HydrophobicContact CG1-CE1 4.27Å; I521-M571 HydrophobicContact CD1-SD 4.42Å; I521-F587 HydrophobicContact CG2-CE2 3.78Å; I521-F587 HydrophobicContact CG2-CZ 4.29Å |
| 522 | T | 93.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 36 Ų | 36 | 26% | 0.264 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -93.1 | -29.2 | -172 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | N519 P526 | N519-T522 PolarHBondContact O-N 3.33Å; N519-T522 PolarHBondContact O-OG1 3.32Å; T522-P526 WeakPolarHBondContact O-CG 3.39Å |
| 523 | I | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -122.6 | -60.8 | -173.2 | -61.2 | -178.3 | 0 | 0 | 0 | 111 | A481 L484 E485 I489 F514 N519 P526 F527 | A481-I523 HydrophobicContact CB-CD1 3.94Å; L484-I523 HydrophobicContact CB-CD1 4.47Å; E485-I523 HydrophobicContact CB-CG1 4.35Å; I489-I523 HydrophobicContact CD1-CB 4.23Å; I489-I523 HydrophobicContact CD1-CG2 3.65Å; F514-I523 HydrophobicContact CD1-CG2 4.44Å; F514-I523 HydrophobicContact CD2-CG2 4.3Å; F514-I523 HydrophobicContact CE1-CG2 4.08Å; F514-I523 HydrophobicContact CE2-CG2 3.91Å; F514-I523 HydrophobicContact CZ-CG2 3.79Å; N519-I523 HydrophobicContact CB-CB 4.32Å; N519-I523 HydrophobicContact CB-CD1 4.15Å; N519-I523 HydrophobicContact CB-CG1 4.38Å; N519-I523 WeakPolarHBondContact O-CB 2.99Å; N519-I523 PolarHBondContact O-N 3.18Å; I523-P526 WeakPolarHBondContact O-CD 3.47Å; I523-F527 VanDerWaalsContact O-CB 3.31Å; I523-F527 WeakPolarHBondContact O-CB 3.31Å; I523-F527 PolarHBondContact O-N 2.94Å |
| 524 | T | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -66.4 | -45.2 | -167.5 | -49.7 | 0 | 0 | 0 | 0 | 113.3 | F514 N519 Y520 A528 L560 Y561 V564 | F514-T524 WeakPolarHBondContact CA-OG1 3.48Å; F514-T524 HydrophobicContact CD1-CG2 4.09Å; F514-T524 PolarHBondContact O-OG1 3.48Å; N519-T524 PolarHBondContact O-N 3.11Å; Y520-T524 PolarHBondContact O-N 2.72Å; T524-A528 PolarHBondContact O-N 2.7Å; T524-A528 VanDerWaalsContact O-N 3.16Å; T524-L560 HydrophobicContact CG2-CD1 4.2Å; T524-L560 HydrophobicContact CG2-CD2 4.3Å; T524-L560 HydrophobicContact CG2-CG 4.26Å; T524-Y561 HydrophobicContact CG2-CE1 3.84Å; T524-Y561 PolarHBondContact O-OH 3.13Å; T524-V564 HydrophobicContact CG2-CG2 3.68Å |
| 525 | I | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.8 | -45.9 | 178.1 | -64.1 | 161 | 0 | 0 | 0 | 111.3 | Y520 F527 A528 K529 V564 L568 F587 | Y520-I525 WeakPolarHBondContact O-CB 3.38Å; Y520-I525 WeakPolarHBondContact O-CD1 3.35Å; Y520-I525 VanDerWaalsContact O-CG1 3.23Å; Y520-I525 WeakPolarHBondContact O-CG1 3.27Å; Y520-I525 PolarHBondContact O-N 2.99Å; I525-F527 VanDerWaalsContact C-N 3.28Å; I525-F527 PolarHBondContact O-N 3.15Å; I525-A528 WeakPolarHBondContact O-CB 3.18Å; I525-A528 PolarHBondContact O-N 2.91Å; I525-A528 VanDerWaalsContact O-N 3.11Å; I525-K529 PolarHBondContact O-N 3.47Å; I525-V564 HydrophobicContact CD1-CG1 3.86Å; I525-V564 HydrophobicContact CG1-CG1 3.57Å; I525-L568 HydrophobicContact CD1-CD1 4.06Å; I525-L568 HydrophobicContact CD1-CD2 4.11Å; I525-L568 HydrophobicContact CD1-CG 4.37Å; I525-F587 HydrophobicContact CD1-CB 4.17Å; I525-F587 HydrophobicContact CD1-CD2 4.3Å; I525-F587 HydrophobicContact CD1-CG 4.3Å; I525-F587 HydrophobicContact CG2-CB 3.92Å; I525-F587 HydrophobicContact CG2-CD1 3.55Å; I525-F587 HydrophobicContact CG2-CE1 4.18Å; I525-F587 HydrophobicContact CG2-CG 3.78Å |
| 526 | P | 96.8 | Very high | 95.3 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.5 | -38.7 | 172.8 | -32 | 40.8 | 0 | 0 | 0 | 113.7 | I489 I521 T522 I523 K529 C530 | I489-P526 HydrophobicContact CG2-CB 3.87Å; I521-P526 VanDerWaalsContact O-CD 3.25Å; I521-P526 WeakPolarHBondContact O-CD 3.39Å; I521-P526 VanDerWaalsContact O-CG 3.32Å; I521-P526 WeakPolarHBondContact O-CG 3.41Å; T522-P526 WeakPolarHBondContact O-CG 3.39Å; I523-P526 WeakPolarHBondContact O-CD 3.47Å; P526-K529 VanDerWaalsContact O-CB 3.31Å; P526-K529 WeakPolarHBondContact O-CB 3.46Å; P526-K529 PolarHBondContact O-N 2.88Å; P526-C530 PolarHBondContact O-N 3.17Å; P526-C530 PolarHBondContact O-SG 2.78Å; P526-C530 VanDerWaalsContact O-SG 3.33Å |
| 527 | F | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 172.7 | 174.2 | -90.6 | 0 | 0 | 0 | 112.3 | I489 L492 Y505 L508 P509 F514 I523 I525 K529 C530 V531 Y561 F594 | I489-F527 HydrophobicContact CD1-CB 4.4Å; L492-F527 HydrophobicContact CD1-CD2 4.45Å; Y505-F527 AromaticContact CD1-CE2 3.91Å; Y505-F527 HydrophobicContact CD1-CE2 3.91Å; Y505-F527 AromaticContact CD1-CZ 3.99Å; Y505-F527 HydrophobicContact CD1-CZ 3.99Å; L508-F527 HydrophobicContact CB-CE2 4.09Å; L508-F527 HydrophobicContact CD1-CD2 4.18Å; L508-F527 HydrophobicContact CD1-CE2 4.06Å; P509-F527 HydrophobicContact CG-CD1 4.4Å; P509-F527 HydrophobicContact CG-CE1 3.52Å; P509-F527 HydrophobicContact CG-CE2 4.5Å; P509-F527 HydrophobicContact CG-CZ 3.56Å; F514-F527 HydrophobicContact CE1-CB 3.74Å; F514-F527 AromaticContact CE1-CD1 3.91Å; F514-F527 HydrophobicContact CE1-CD1 3.91Å; F514-F527 HydrophobicContact CE1-CD2 4.21Å; F514-F527 AromaticContact CE1-CG 3.68Å; F514-F527 HydrophobicContact CE1-CG 3.68Å; F514-F527 HydrophobicContact CZ-CB 4.29Å; F514-F527 HydrophobicContact CZ-CD2 4.23Å; F514-F527 HydrophobicContact CZ-CG 4.15Å; I523-F527 VanDerWaalsContact O-CB 3.31Å; I523-F527 WeakPolarHBondContact O-CB 3.31Å; I523-F527 PolarHBondContact O-N 2.94Å; I525-F527 VanDerWaalsContact C-N 3.28Å; I525-F527 PolarHBondContact O-N 3.15Å; F527-K529 PolarHBondContact O-N 3.48Å; F527-C530 VanDerWaalsContact O-CB 3.32Å; F527-C530 WeakPolarHBondContact O-CB 3.34Å; F527-C530 PolarHBondContact O-N 3.43Å; F527-V531 HydrophobicContact CD1-CG2 4.38Å; F527-V531 HydrophobicContact CE1-CG2 3.89Å; F527-V531 HydrophobicContact CZ-CG2 4.14Å; F527-V531 PolarHBondContact O-N 3.44Å; F527-V531 VanDerWaalsContact O-N 3.09Å; F527-Y561 WeakPolarHBondContact CD1-OH 3.47Å; F527-F594 HydrophobicContact CE1-CE1 4.41Å |
| 528 | A | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T524 I525 C530 V531 V532 Y561 T590 F594 | T524-A528 PolarHBondContact O-N 2.7Å; T524-A528 VanDerWaalsContact O-N 3.16Å; I525-A528 WeakPolarHBondContact O-CB 3.18Å; I525-A528 PolarHBondContact O-N 2.91Å; I525-A528 VanDerWaalsContact O-N 3.11Å; A528-C530 VanDerWaalsContact C-N 3.32Å; A528-C530 PolarHBondContact O-N 3.35Å; A528-V531 PolarHBondContact O-N 3.47Å; A528-V532 WeakPolarHBondContact O-CB 3.43Å; A528-V532 VanDerWaalsContact O-CG2 3.29Å; A528-V532 WeakPolarHBondContact O-CG2 3.46Å; A528-V532 PolarHBondContact O-N 2.74Å; A528-Y561 HydrophobicContact CB-CD1 4.42Å; A528-Y561 HydrophobicContact CB-CE1 3.52Å; A528-T590 HydrophobicContact CB-CG2 4Å; A528-F594 HydrophobicContact CB-CB 4.14Å; A528-F594 HydrophobicContact CB-CD1 3.63Å; A528-F594 HydrophobicContact CB-CE1 4.42Å; A528-F594 HydrophobicContact CB-CG 4.22Å |
| 529 | K | 96.5 | Very high | 95.8 | Very high | 119 Ų | 119 | 40 Ų | 40 | 52% | 0.517 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61 | -41 | 173.9 | -169.7 | 177.6 | 177.4 | 178 | 0 | 111.7 | I525 P526 F527 V532 S533 T590 | I525-K529 PolarHBondContact O-N 3.47Å; P526-K529 VanDerWaalsContact O-CB 3.31Å; P526-K529 WeakPolarHBondContact O-CB 3.46Å; P526-K529 PolarHBondContact O-N 2.88Å; F527-K529 PolarHBondContact O-N 3.48Å; K529-V532 PolarHBondContact O-N 3.21Å; K529-S533 VanDerWaalsContact O-CB 3.29Å; K529-S533 WeakPolarHBondContact O-CB 3.4Å; K529-S533 PolarHBondContact O-N 3.17Å; K529-S533 PolarHBondContact O-OG 2.89Å; K529-T590 HydrophobicContact CB-CG2 3.86Å |
| 530 | C | 96.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.1 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | I489 L492 Y505 P526 F527 A528 S533 L534 | I489-C530 PolarHBondContact O-SG 2.86Å; L492-C530 HydrophobicContact CB-CB 4.18Å; L492-C530 HydrophobicContact CD1-CB 4.15Å; Y505-C530 HydrophobicContact CE1-CB 4.14Å; P526-C530 PolarHBondContact O-N 3.17Å; P526-C530 PolarHBondContact O-SG 2.78Å; P526-C530 VanDerWaalsContact O-SG 3.33Å; F527-C530 VanDerWaalsContact O-CB 3.32Å; F527-C530 WeakPolarHBondContact O-CB 3.34Å; F527-C530 PolarHBondContact O-N 3.43Å; A528-C530 VanDerWaalsContact C-N 3.32Å; A528-C530 PolarHBondContact O-N 3.35Å; C530-S533 PolarHBondContact O-N 3.06Å; C530-S533 PolarHBondContact O-OG 3.31Å; C530-L534 PolarHBondContact O-N 3.28Å |
| 531 | V | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -49.9 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | Y505 F527 A528 S533 L534 L539 L542 W546 F594 | Y505-V531 HydrophobicContact CD1-CG2 3.57Å; Y505-V531 HydrophobicContact CE1-CG2 4.09Å; F527-V531 HydrophobicContact CD1-CG2 4.38Å; F527-V531 HydrophobicContact CE1-CG2 3.89Å; F527-V531 HydrophobicContact CZ-CG2 4.14Å; F527-V531 PolarHBondContact O-N 3.44Å; F527-V531 VanDerWaalsContact O-N 3.09Å; A528-V531 PolarHBondContact O-N 3.47Å; V531-S533 PolarHBondContact O-N 2.97Å; V531-L534 VanDerWaalsContact O-CB 3.28Å; V531-L534 WeakPolarHBondContact O-CB 3.25Å; V531-L534 WeakPolarHBondContact O-CG 2.98Å; V531-L534 PolarHBondContact O-N 2.7Å; V531-L539 HydrophobicContact CG1-CD1 4.42Å; V531-L542 HydrophobicContact CG1-CD2 4.39Å; V531-W546 HydrophobicContact CG1-CH2 3.77Å; V531-F594 HydrophobicContact CB-CD2 4.47Å; V531-F594 HydrophobicContact CB-CE2 4.35Å; V531-F594 HydrophobicContact CG1-CD2 3.85Å; V531-F594 HydrophobicContact CG1-CE2 3.65Å; V531-F594 HydrophobicContact CG1-CZ 4.23Å; V531-F594 HydrophobicContact CG2-CE2 4.48Å; V531-F594 HydrophobicContact CG2-CZ 4.25Å |
| 532 | V | 96.4 | Very high | 96 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -24.9 | -178 | 172 | 0 | 0 | 0 | 0 | 112 | A528 K529 R593 F594 I597 | A528-V532 WeakPolarHBondContact O-CB 3.43Å; A528-V532 VanDerWaalsContact O-CG2 3.29Å; A528-V532 WeakPolarHBondContact O-CG2 3.46Å; A528-V532 PolarHBondContact O-N 2.74Å; K529-V532 PolarHBondContact O-N 3.21Å; V532-R593 HydrophobicContact CG1-CB 4.16Å; V532-R593 HydrophobicContact CG2-CB 4.08Å; V532-F594 HydrophobicContact CG2-CB 4.02Å; V532-I597 HydrophobicContact CG2-CD1 4.06Å |
| 533 | S | 95.9 | Very high | 96.2 | Very high | 63 Ų | 63 | 41.2 Ų | 41.2 | 44% | 0.441 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.7 | 176.1 | 69.1 | 0 | 0 | 0 | 0 | 114.6 | S494 K529 C530 V531 | S494-S533 WeakPolarHBondContact CB-O 3.28Å; K529-S533 VanDerWaalsContact O-CB 3.29Å; K529-S533 WeakPolarHBondContact O-CB 3.4Å; K529-S533 PolarHBondContact O-N 3.17Å; K529-S533 PolarHBondContact O-OG 2.89Å; C530-S533 PolarHBondContact O-N 3.06Å; C530-S533 PolarHBondContact O-OG 3.31Å; V531-S533 PolarHBondContact O-N 2.97Å |
| 534 | L | 96.1 | Very high | 96.2 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -61.3 | 140.9 | 175.3 | -71.5 | 173 | 0 | 0 | 0 | 111.3 | P496 L502 Y505 C530 V531 P538 L539 L542 | P496-L534 HydrophobicContact CG-CD2 4.23Å; L502-L534 HydrophobicContact CD2-CD1 4.45Å; Y505-L534 HydrophobicContact CE1-CD1 4.37Å; C530-L534 PolarHBondContact O-N 3.28Å; V531-L534 VanDerWaalsContact O-CB 3.28Å; V531-L534 WeakPolarHBondContact O-CB 3.25Å; V531-L534 WeakPolarHBondContact O-CG 2.98Å; V531-L534 PolarHBondContact O-N 2.7Å; L534-P538 HydrophobicContact CD2-CB 4.38Å; L534-L539 HydrophobicContact CB-CB 4.3Å; L534-L542 HydrophobicContact CD1-CD2 3.87Å |
| 535 | K | 95.9 | Very high | 96.1 | Very high | 122 Ų | 122 | 43 Ų | 43 | 53% | 0.53 | 23% | 0.229 | S | C | . | . | trans | -64.6 | 161.1 | 170.1 | -67.2 | -176.2 | -177.7 | 172.4 | 0 | 111.2 | S494 A537 P538 L539 | S494-K535 PolarHBondContact O-N 2.86Å; K535-A537 VanDerWaalsContact C-N 3.34Å; K535-A537 PolarHBondContact O-N 3.3Å; K535-P538 VanDerWaalsContact O-CD 3.29Å; K535-P538 WeakPolarHBondContact O-CD 3.41Å; K535-L539 WeakPolarHBondContact O-CB 3.19Å; K535-L539 PolarHBondContact O-N 3.45Å; K535-L539 VanDerWaalsContact O-N 3.08Å | ||
| 536 | E | 94.7 | Very high | 96 | Very high | 175 Ų | 175 | 43 Ų | 43 | 82% | 0.818 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -55.7 | -41.8 | -175 | -65 | -174.9 | 170.6 | 0 | 0 | 114.3 | L539 K540 | E536-L539 PolarHBondContact O-N 3.47Å; E536-K540 VanDerWaalsContact O-CB 3.29Å; E536-K540 WeakPolarHBondContact O-CB 2.93Å; E536-K540 PolarHBondContact O-N 3.29Å |
| 537 | A | 94.8 | Very high | 95.9 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 59% | 0.587 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.4 | -52.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | K535 L539 K540 V541 | K535-A537 VanDerWaalsContact C-N 3.34Å; K535-A537 PolarHBondContact O-N 3.3Å; A537-L539 VanDerWaalsContact C-N 3.35Å; A537-L539 PolarHBondContact O-N 3.32Å; A537-K540 PolarHBondContact O-N 3.26Å; A537-V541 PolarHBondContact O-N 2.94Å |
| 538 | P | 95.5 | Very high | 95.6 | Very high | 20 Ų | 20 | 48 Ų | 48 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.5 | -42 | 171.2 | -24.2 | 30.6 | 0 | 0 | 0 | 113.6 | L502 L534 K535 K540 V541 L542 | L502-P538 HydrophobicContact CD1-CB 4.09Å; L502-P538 HydrophobicContact CD2-CB 3.99Å; L534-P538 HydrophobicContact CD2-CB 4.38Å; K535-P538 VanDerWaalsContact O-CD 3.29Å; K535-P538 WeakPolarHBondContact O-CD 3.41Å; P538-K540 VanDerWaalsContact C-N 3.3Å; P538-K540 PolarHBondContact O-N 2.69Å; P538-V541 PolarHBondContact O-N 3.24Å; P538-V541 VanDerWaalsContact O-N 3.17Å; P538-L542 PolarHBondContact O-N 3.13Å |
| 539 | L | 95.8 | Very high | 95.3 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 179.3 | -173.3 | 64.1 | 0 | 0 | 0 | 112 | V531 L534 K535 E536 A537 L542 G543 I597 | V531-L539 HydrophobicContact CG1-CD1 4.42Å; L534-L539 HydrophobicContact CB-CB 4.3Å; K535-L539 WeakPolarHBondContact O-CB 3.19Å; K535-L539 PolarHBondContact O-N 3.45Å; K535-L539 VanDerWaalsContact O-N 3.08Å; E536-L539 PolarHBondContact O-N 3.47Å; A537-L539 VanDerWaalsContact C-N 3.35Å; A537-L539 PolarHBondContact O-N 3.32Å; L539-L542 PolarHBondContact O-N 3.47Å; L539-G543 PolarHBondContact O-N 3.14Å; L539-I597 HydrophobicContact CD1-CD1 4.26Å; L539-I597 HydrophobicContact CD1-CG2 4.1Å; L539-I597 HydrophobicContact CD2-CD1 4.38Å |
| 540 | K | 95.4 | Very high | 95 | Very high | 138 Ų | 138 | 48.7 Ų | 48.7 | 60% | 0.6 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.3 | -40.4 | 174.4 | -174.9 | 177.4 | -177.9 | 176.9 | 0 | 112.1 | E536 A537 P538 N544 | E536-K540 VanDerWaalsContact O-CB 3.29Å; E536-K540 WeakPolarHBondContact O-CB 2.93Å; E536-K540 PolarHBondContact O-N 3.29Å; A537-K540 PolarHBondContact O-N 3.26Å; P538-K540 VanDerWaalsContact C-N 3.3Å; P538-K540 PolarHBondContact O-N 2.69Å; K540-N544 PolarHBondContact O-N 2.86Å; K540-N544 PolarHBondContact O-ND2 2.73Å; K540-N544 PolarHBondContact O-OD1 3.4Å |
| 541 | V | 96.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | I499 L502 A537 P538 G543 N544 W545 | I499-V541 HydrophobicContact CB-CG1 4.36Å; I499-V541 HydrophobicContact CG2-CG1 4Å; I499-V541 HydrophobicContact CG2-CG2 4.1Å; L502-V541 HydrophobicContact CD1-CB 3.96Å; L502-V541 HydrophobicContact CD1-CG1 3.92Å; A537-V541 PolarHBondContact O-N 2.94Å; P538-V541 PolarHBondContact O-N 3.24Å; P538-V541 VanDerWaalsContact O-N 3.17Å; V541-G543 VanDerWaalsContact C-N 3.34Å; V541-G543 PolarHBondContact O-N 3.44Å; V541-N544 WeakPolarHBondContact O-CB 3.33Å; V541-N544 PolarHBondContact O-N 3.2Å; V541-N544 VanDerWaalsContact O-N 3.15Å; V541-W545 HydrophobicContact CG1-CD2 4.04Å; V541-W545 HydrophobicContact CG1-CE3 4.44Å; V541-W545 HydrophobicContact CG1-CH2 4.19Å; V541-W545 HydrophobicContact CG1-CZ2 3.68Å; V541-W545 PolarHBondContact O-N 3.37Å |
| 542 | L | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 178.9 | -169.6 | 62.1 | 0 | 0 | 0 | 111.8 | Y505 L506 V531 L534 P538 L539 N544 W545 W546 | Y505-L542 HydrophobicContact CG-CD2 4.32Å; L506-L542 HydrophobicContact CD2-CD1 3.51Å; L506-L542 HydrophobicContact CG-CD1 4.15Å; V531-L542 HydrophobicContact CG1-CD2 4.39Å; L534-L542 HydrophobicContact CD1-CD2 3.87Å; P538-L542 PolarHBondContact O-N 3.13Å; L539-L542 PolarHBondContact O-N 3.47Å; L542-N544 VanDerWaalsContact C-N 3.34Å; L542-N544 PolarHBondContact O-N 3.43Å; L542-W545 HydrophobicContact CD1-CE3 4.23Å; L542-W545 PolarHBondContact O-N 2.93Å; L542-W545 VanDerWaalsContact O-N 3.13Å; L542-W546 HydrophobicContact CB-CZ3 4.39Å; L542-W546 HydrophobicContact CD1-CH2 4.4Å; L542-W546 HydrophobicContact CD1-CZ2 4Å; L542-W546 HydrophobicContact CD2-CH2 3.17Å; L542-W546 HydrophobicContact CD2-CZ2 3.48Å; L542-W546 VanDerWaalsContact CD2-CZ2 3.48Å; L542-W546 HydrophobicContact CD2-CZ3 3.79Å; L542-W546 HydrophobicContact CG-CD2 4.06Å; L542-W546 HydrophobicContact CG-CE3 3.99Å; L542-W546 HydrophobicContact CG-CH2 3.44Å; L542-W546 VanDerWaalsContact CG-CH2 3.44Å; L542-W546 HydrophobicContact CG-CZ2 3.53Å; L542-W546 HydrophobicContact CG-CZ3 3.68Å; L542-W546 PolarHBondContact O-N 3.02Å |
| 543 | G | 96 | Very high | 94.4 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L539 V541 S547 V601 | L539-G543 PolarHBondContact O-N 3.14Å; V541-G543 VanDerWaalsContact C-N 3.34Å; V541-G543 PolarHBondContact O-N 3.44Å; G543-S547 PolarHBondContact O-N 3.34Å; G543-V601 WeakPolarHBondContact O-CG1 3.4Å |
| 544 | N | 95.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 172.5 | -66.1 | -16.8 | 0 | 0 | 0 | 111.6 | S451 K540 V541 L542 S547 | S451-N544 WeakPolarHBondContact O-CB 3.47Å; S451-N544 PolarHBondContact O-ND2 3.01Å; K540-N544 PolarHBondContact O-N 2.86Å; K540-N544 PolarHBondContact O-ND2 2.73Å; K540-N544 PolarHBondContact O-OD1 3.4Å; V541-N544 WeakPolarHBondContact O-CB 3.33Å; V541-N544 PolarHBondContact O-N 3.2Å; V541-N544 VanDerWaalsContact O-N 3.15Å; L542-N544 VanDerWaalsContact C-N 3.34Å; L542-N544 PolarHBondContact O-N 3.43Å; N544-S547 VanDerWaalsContact C-OG 3.31Å; N544-S547 WeakPolarHBondContact CA-OG 3.2Å; N544-S547 PolarHBondContact O-N 3.1Å; N544-S547 PolarHBondContact O-OG 3.3Å |
| 545 | W | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71 | -38.9 | 176.9 | -64.3 | -19.8 | 0 | 0 | 0 | 112.6 | S450 I499 L502 R503 L506 V541 L542 S547 T548 F549 | S450-W545 WeakPolarHBondContact O-CZ2 3.28Å; S450-W545 PolarHBondContact O-NE1 3.43Å; I499-W545 HydrophobicContact CB-CH2 4.29Å; I499-W545 HydrophobicContact CB-CZ2 4.25Å; I499-W545 VanDerWaalsContact O-CH2 3.22Å; I499-W545 WeakPolarHBondContact O-CH2 3.41Å; L502-W545 HydrophobicContact CB-CE3 4.37Å; L502-W545 HydrophobicContact CB-CH2 3.94Å; L502-W545 HydrophobicContact CB-CZ3 3.45Å; L502-W545 VanDerWaalsContact CB-CZ3 3.45Å; R503-W545 HydrophobicContact CG-CH2 4.39Å; R503-W545 HydrophobicContact CG-CZ3 4.44Å; L506-W545 HydrophobicContact CD1-CB 4.17Å; L506-W545 HydrophobicContact CD1-CD2 4.33Å; L506-W545 HydrophobicContact CD1-CE3 3.7Å; L506-W545 HydrophobicContact CD1-CZ3 4.32Å; L506-W545 HydrophobicContact CD2-CB 4.35Å; L506-W545 HydrophobicContact CD2-CE3 4.49Å; L506-W545 HydrophobicContact CG-CE3 4.21Å; V541-W545 HydrophobicContact CG1-CD2 4.04Å; V541-W545 HydrophobicContact CG1-CE3 4.44Å; V541-W545 HydrophobicContact CG1-CH2 4.19Å; V541-W545 HydrophobicContact CG1-CZ2 3.68Å; V541-W545 PolarHBondContact O-N 3.37Å; L542-W545 HydrophobicContact CD1-CE3 4.23Å; L542-W545 PolarHBondContact O-N 2.93Å; L542-W545 VanDerWaalsContact O-N 3.13Å; W545-S547 VanDerWaalsContact C-N 3.26Å; W545-S547 PolarHBondContact O-N 3.06Å; W545-T548 PolarHBondContact O-N 3.31Å; W545-T548 VanDerWaalsContact O-N 3.15Å; W545-T548 PolarHBondContact O-OG1 2.92Å; W545-F549 WeakPolarHBondContact O-CD1 3.39Å |
| 546 | W | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -32.2 | 171.4 | -71.8 | -38.2 | 0 | 0 | 0 | 112.3 | V531 L542 T548 F549 F554 F594 I597 L598 V601 | V531-W546 HydrophobicContact CG1-CH2 3.77Å; L542-W546 HydrophobicContact CB-CZ3 4.39Å; L542-W546 HydrophobicContact CD1-CH2 4.4Å; L542-W546 HydrophobicContact CD1-CZ2 4Å; L542-W546 HydrophobicContact CD2-CH2 3.17Å; L542-W546 HydrophobicContact CD2-CZ2 3.48Å; L542-W546 VanDerWaalsContact CD2-CZ2 3.48Å; L542-W546 HydrophobicContact CD2-CZ3 3.79Å; L542-W546 HydrophobicContact CG-CD2 4.06Å; L542-W546 HydrophobicContact CG-CE3 3.99Å; L542-W546 HydrophobicContact CG-CH2 3.44Å; L542-W546 VanDerWaalsContact CG-CH2 3.44Å; L542-W546 HydrophobicContact CG-CZ2 3.53Å; L542-W546 HydrophobicContact CG-CZ3 3.68Å; L542-W546 PolarHBondContact O-N 3.02Å; W546-T548 PolarHBondContact O-N 3.32Å; W546-F549 AromaticContact CD1-CE2 3.66Å; W546-F549 AromaticContact CD1-CZ 3.67Å; W546-F549 WeakPolarHBondContact O-CB 3.18Å; W546-F549 PolarHBondContact O-N 3.14Å; W546-F549 VanDerWaalsContact O-N 3.13Å; W546-F554 HydrophobicContact CB-CD2 4.4Å; W546-F554 HydrophobicContact CB-CE2 4.17Å; W546-F594 AromaticContact CH2-CE2 3.59Å; W546-F594 HydrophobicContact CH2-CE2 3.59Å; W546-F594 HydrophobicContact CH2-CZ 4.1Å; W546-F594 HydrophobicContact CZ2-CE2 4.02Å; W546-F594 HydrophobicContact CZ2-CZ 4.08Å; W546-F594 HydrophobicContact CZ3-CE2 4.27Å; W546-I597 HydrophobicContact CZ3-CG2 3.8Å; W546-L598 HydrophobicContact CD2-CD2 4.16Å; W546-L598 HydrophobicContact CE3-CD2 4.14Å; W546-L598 HydrophobicContact CZ3-CD2 4.37Å; W546-V601 HydrophobicContact CB-CG1 3.86Å; W546-V601 HydrophobicContact CE3-CG2 4.31Å |
| 547 | S | 94.5 | Very high | 94.4 | Very high | 41 Ų | 41 | 45.7 Ų | 45.7 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -19.6 | 174.3 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | G543 N544 W545 S605 | G543-S547 PolarHBondContact O-N 3.34Å; N544-S547 VanDerWaalsContact C-OG 3.31Å; N544-S547 WeakPolarHBondContact CA-OG 3.2Å; N544-S547 PolarHBondContact O-N 3.1Å; N544-S547 PolarHBondContact O-OG 3.3Å; W545-S547 VanDerWaalsContact C-N 3.26Å; W545-S547 PolarHBondContact O-N 3.06Å; S547-S605 WeakPolarHBondContact CB-OG 3.39Å |
| 548 | T | 90.8 | Very high | 94.5 | Very high | 97 Ų | 97 | 42.3 Ų | 42.3 | 60% | 0.595 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 5.8 | 177.9 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | W545 W546 | W545-T548 PolarHBondContact O-N 3.31Å; W545-T548 VanDerWaalsContact O-N 3.15Å; W545-T548 PolarHBondContact O-OG1 2.92Å; W546-T548 PolarHBondContact O-N 3.32Å |
| 549 | F | 89.4 | Confident | 94.6 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -67.3 | 148.1 | 178 | -86.2 | 20.8 | 0 | 0 | 0 | 111.6 | M458 L506 W545 W546 F553 F554 | M458-F549 HydrophobicContact CE-CE2 4.23Å; M458-F549 HydrophobicContact CE-CZ 3.84Å; M458-F549 HydrophobicContact SD-CZ 4.18Å; L506-F549 HydrophobicContact CB-CZ 4.16Å; L506-F549 HydrophobicContact CD1-CE1 4.29Å; L506-F549 HydrophobicContact CD2-CE1 3.94Å; L506-F549 HydrophobicContact CD2-CZ 3.7Å; L506-F549 HydrophobicContact CG-CZ 4.34Å; W545-F549 WeakPolarHBondContact O-CD1 3.39Å; W546-F549 AromaticContact CD1-CE2 3.66Å; W546-F549 AromaticContact CD1-CZ 3.67Å; W546-F549 WeakPolarHBondContact O-CB 3.18Å; W546-F549 PolarHBondContact O-N 3.14Å; W546-F549 VanDerWaalsContact O-N 3.13Å; F549-F553 HydrophobicContact CD2-CB 3.78Å; F549-F553 HydrophobicContact CE2-CB 4.22Å; F549-F553 HydrophobicContact CG-CB 4.43Å; F549-F554 HydrophobicContact CB-CB 4.11Å; F549-F554 HydrophobicContact CD2-CB 4.45Å |
| 550 | E | 90.3 | Very high | 94.6 | Very high | 110 Ų | 110 | 41.9 Ų | 41.9 | 51% | 0.514 | 22% | 0.217 | S | C | . | . | trans | -64.5 | 145.2 | 163.4 | -56.5 | 178.8 | 172 | 0 | 0 | 109.4 | L552 F553 F554 | E550-L552 PolarHBondContact O-N 2.67Å; E550-F553 HydrophobicContact CB-CD2 4.01Å; E550-F553 HydrophobicContact CG-CD2 4.44Å; E550-F553 PolarHBondContact O-N 3.23Å; E550-F553 VanDerWaalsContact O-N 3.07Å; E550-F554 PolarHBondContact O-N 3.47Å | ||
| 551 | P | 93.3 | Very high | 94.7 | Very high | 76 Ų | 76 | 35.3 Ų | 35.3 | 49% | 0.494 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -51.6 | -34.6 | -177 | -29.8 | 35.6 | 0 | 0 | 0 | 114 | Q555 I609 | P551-Q555 WeakPolarHBondContact O-CB 3.49Å; P551-Q555 PolarHBondContact O-N 3.41Å; P551-I609 HydrophobicContact CB-CG2 4.27Å |
| 552 | L | 92.7 | Very high | 94.7 | Very high | 94 Ų | 94 | 36 Ų | 36 | 49% | 0.492 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 178.8 | -172.7 | 83 | 0 | 0 | 0 | 113 | E550 R556 | E550-L552 PolarHBondContact O-N 2.67Å; L552-R556 WeakPolarHBondContact O-CG 3.22Å; L552-R556 PolarHBondContact O-N 2.84Å; L552-R556 VanDerWaalsContact O-N 3.07Å |
| 553 | F | 92.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -42.4 | -179 | -69.8 | -70.5 | 0 | 0 | 0 | 111 | M458 N459 F549 E550 R556 L557 | M458-F553 HydrophobicContact CB-CE1 4.17Å; M458-F553 HydrophobicContact CB-CE2 4.28Å; M458-F553 HydrophobicContact CB-CZ 4.04Å; N459-F553 WeakPolarHBondContact OD1-CZ 3.36Å; F549-F553 HydrophobicContact CD2-CB 3.78Å; F549-F553 HydrophobicContact CE2-CB 4.22Å; F549-F553 HydrophobicContact CG-CB 4.43Å; E550-F553 HydrophobicContact CB-CD2 4.01Å; E550-F553 HydrophobicContact CG-CD2 4.44Å; E550-F553 PolarHBondContact O-N 3.23Å; E550-F553 VanDerWaalsContact O-N 3.07Å; F553-R556 PolarHBondContact O-N 2.71Å; F553-L557 PolarHBondContact O-N 2.92Å |
| 554 | F | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 178.6 | -167.3 | -93.7 | 0 | 0 | 0 | 111.5 | W546 F549 E550 R556 L557 V558 L598 V601 N602 I608 I609 F614 | W546-F554 HydrophobicContact CB-CD2 4.4Å; W546-F554 HydrophobicContact CB-CE2 4.17Å; F549-F554 HydrophobicContact CB-CB 4.11Å; F549-F554 HydrophobicContact CD2-CB 4.45Å; E550-F554 PolarHBondContact O-N 3.47Å; F554-R556 PolarHBondContact O-N 2.97Å; F554-L557 PolarHBondContact O-N 2.91Å; F554-V558 HydrophobicContact CD1-CG2 4.21Å; F554-V558 HydrophobicContact CE1-CG2 3.92Å; F554-V558 WeakPolarHBondContact O-CG2 3.3Å; F554-V558 PolarHBondContact O-N 2.82Å; F554-V558 VanDerWaalsContact O-N 3.11Å; F554-L598 HydrophobicContact CE2-CD2 4.24Å; F554-L598 HydrophobicContact CZ-CB 4.15Å; F554-L598 WeakPolarHBondContact CZ-O 3.15Å; F554-V601 HydrophobicContact CE2-CG1 4.13Å; F554-N602 HydrophobicContact CE1-CB 3.93Å; F554-N602 HydrophobicContact CZ-CB 4.03Å; F554-I608 HydrophobicContact CB-CG2 3.97Å; F554-I608 HydrophobicContact CD1-CB 4.23Å; F554-I608 HydrophobicContact CD1-CD1 4.35Å; F554-I608 HydrophobicContact CD1-CG2 4.23Å; F554-I608 HydrophobicContact CD2-CD1 3.85Å; F554-I608 HydrophobicContact CE1-CD1 4.31Å; F554-I608 HydrophobicContact CE2-CD1 3.81Å; F554-I608 HydrophobicContact CG-CB 4.43Å; F554-I608 HydrophobicContact CG-CD1 4.13Å; F554-I608 HydrophobicContact CG-CG2 4.05Å; F554-I608 HydrophobicContact CZ-CD1 4.04Å; F554-I609 HydrophobicContact CD1-CD1 3.89Å; F554-I609 HydrophobicContact CD1-CG1 3.94Å; F554-I609 HydrophobicContact CD1-CG2 4Å; F554-I609 HydrophobicContact CE1-CD1 4.07Å; F554-I609 HydrophobicContact CE1-CG1 4.06Å; F554-F614 HydrophobicContact CE1-CZ 4.03Å |
| 555 | Q | 95.8 | Very high | 94.8 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.3 | -166.8 | -176.4 | -38.7 | 0 | 0 | 111.9 | P551 L557 V558 D559 I609 | P551-Q555 WeakPolarHBondContact O-CB 3.49Å; P551-Q555 PolarHBondContact O-N 3.41Å; Q555-L557 VanDerWaalsContact C-N 3.3Å; Q555-L557 PolarHBondContact O-N 3.37Å; Q555-V558 PolarHBondContact O-N 3.46Å; Q555-V558 VanDerWaalsContact O-N 3.11Å; Q555-D559 WeakPolarHBondContact CG-OD2 3.43Å; Q555-D559 PolarHBondContact NE2-OD2 3.44Å; Q555-D559 WeakPolarHBondContact O-CB 3.34Å; Q555-D559 PolarHBondContact O-N 3.34Å; Q555-I609 HydrophobicContact CB-CG2 4.05Å; Q555-I609 HydrophobicContact CG-CD1 4.47Å |
| 556 | R | 94.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 38.4 Ų | 38.4 | 35% | 0.347 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.4 | -41.1 | 177.5 | -80.5 | 175.7 | 169.1 | 156.2 | 1 | 112.9 | R462 L552 F553 F554 V558 D559 L560 | R462-R556 VanDerWaalsContact NH2-CZ 3.3Å; L552-R556 WeakPolarHBondContact O-CG 3.22Å; L552-R556 PolarHBondContact O-N 2.84Å; L552-R556 VanDerWaalsContact O-N 3.07Å; F553-R556 PolarHBondContact O-N 2.71Å; F554-R556 PolarHBondContact O-N 2.97Å; R556-V558 VanDerWaalsContact C-N 3.35Å; R556-D559 PolarHBondContact O-N 2.78Å; R556-L560 VanDerWaalsContact O-CB 3.29Å; R556-L560 WeakPolarHBondContact O-CB 3.49Å; R556-L560 PolarHBondContact O-N 3.1Å |
| 557 | L | 96.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 176.9 | -176.5 | 61.5 | 0 | 0 | 0 | 111.4 | P509 F553 F554 Q555 L560 Y561 F594 L598 | P509-L557 HydrophobicContact CB-CD1 3.81Å; P509-L557 HydrophobicContact CG-CD1 4.19Å; F553-L557 PolarHBondContact O-N 2.92Å; F554-L557 PolarHBondContact O-N 2.91Å; Q555-L557 VanDerWaalsContact C-N 3.3Å; Q555-L557 PolarHBondContact O-N 3.37Å; L557-L560 HydrophobicContact CD1-CD2 4.45Å; L557-Y561 HydrophobicContact CD1-CD2 4.05Å; L557-Y561 HydrophobicContact CD1-CE2 3.83Å; L557-Y561 WeakPolarHBondContact O-CD2 3.33Å; L557-Y561 PolarHBondContact O-N 2.95Å; L557-F594 HydrophobicContact CD1-CE1 4.41Å; L557-F594 HydrophobicContact CD1-CZ 4.4Å; L557-F594 HydrophobicContact CD2-CZ 4.33Å; L557-L598 HydrophobicContact CD2-CD1 4.1Å; L557-L598 HydrophobicContact CD2-CD2 3.7Å; L557-L598 HydrophobicContact CG-CD1 3.86Å; L557-L598 HydrophobicContact CG-CD2 4.4Å |
| 558 | V | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -47.9 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | F554 Q555 R556 L560 Y561 K562 L595 L598 I609 F614 | F554-V558 HydrophobicContact CD1-CG2 4.21Å; F554-V558 HydrophobicContact CE1-CG2 3.92Å; F554-V558 WeakPolarHBondContact O-CG2 3.3Å; F554-V558 PolarHBondContact O-N 2.82Å; F554-V558 VanDerWaalsContact O-N 3.11Å; Q555-V558 PolarHBondContact O-N 3.46Å; Q555-V558 VanDerWaalsContact O-N 3.11Å; R556-V558 VanDerWaalsContact C-N 3.35Å; V558-L560 PolarHBondContact O-N 3.31Å; V558-Y561 PolarHBondContact O-N 2.9Å; V558-K562 HydrophobicContact CG1-CD 3.81Å; V558-K562 HydrophobicContact CG1-CG 4.42Å; V558-K562 WeakPolarHBondContact O-CG 3.35Å; V558-K562 PolarHBondContact O-N 2.72Å; V558-L595 HydrophobicContact CG1-CD2 4.33Å; V558-L598 HydrophobicContact CG2-CB 4.31Å; V558-L598 HydrophobicContact CG2-CD1 4.08Å; V558-I609 HydrophobicContact CB-CD1 4.27Å; V558-I609 HydrophobicContact CG1-CD1 4.37Å; V558-I609 HydrophobicContact CG2-CD1 4Å; V558-F614 HydrophobicContact CG1-CD1 3.84Å; V558-F614 HydrophobicContact CG1-CE1 3.87Å; V558-F614 HydrophobicContact CG1-CG 4.29Å; V558-F614 HydrophobicContact CG1-CZ 4.32Å; V558-F614 HydrophobicContact CG2-CE1 3.76Å; V558-F614 HydrophobicContact CG2-CZ 3.78Å |
| 559 | D | 96.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 33.8 Ų | 33.8 | 25% | 0.246 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 179 | -73.2 | -27.9 | 0 | 0 | 0 | 111.7 | Q555 R556 Y561 K562 D563 | Q555-D559 WeakPolarHBondContact CG-OD2 3.43Å; Q555-D559 PolarHBondContact NE2-OD2 3.44Å; Q555-D559 WeakPolarHBondContact O-CB 3.34Å; Q555-D559 PolarHBondContact O-N 3.34Å; R556-D559 PolarHBondContact O-N 2.78Å; D559-Y561 VanDerWaalsContact C-N 3.34Å; D559-Y561 PolarHBondContact O-N 3.32Å; D559-K562 WeakPolarHBondContact O-CB 3.42Å; D559-K562 PolarHBondContact O-N 3.13Å; D559-K562 IonicContact OD1-NZ 3.67Å; D559-K562 PolarHBondContact OD1-NZ 3.01Å; D559-D563 PolarHBondContact O-N 3.39Å |
| 560 | L | 97 | Very high | 94.9 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54 | -48.1 | 174.2 | 171.3 | 64.3 | 0 | 0 | 0 | 112.1 | F514 T524 R556 L557 V558 D563 V564 | F514-L560 HydrophobicContact CB-CD1 4.35Å; F514-L560 HydrophobicContact CB-CD2 3.96Å; F514-L560 HydrophobicContact CD1-CD2 4.48Å; F514-L560 VanDerWaalsContact O-CD1 3.26Å; F514-L560 WeakPolarHBondContact O-CD1 3.5Å; T524-L560 HydrophobicContact CG2-CD1 4.2Å; T524-L560 HydrophobicContact CG2-CD2 4.3Å; T524-L560 HydrophobicContact CG2-CG 4.26Å; R556-L560 VanDerWaalsContact O-CB 3.29Å; R556-L560 WeakPolarHBondContact O-CB 3.49Å; R556-L560 PolarHBondContact O-N 3.1Å; L557-L560 HydrophobicContact CD1-CD2 4.45Å; V558-L560 PolarHBondContact O-N 3.31Å; L560-D563 PolarHBondContact O-N 3.45Å; L560-V564 VanDerWaalsContact O-CG2 3.32Å; L560-V564 WeakPolarHBondContact O-CG2 3.2Å; L560-V564 PolarHBondContact O-N 2.93Å; L560-V564 VanDerWaalsContact O-N 3.1Å |
| 561 | Y | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -80.1 | -22 | -178.3 | -79.7 | -77.7 | 0 | 0 | 0 | 113.6 | T524 F527 A528 L557 V558 D559 V564 V565 F594 | T524-Y561 HydrophobicContact CG2-CE1 3.84Å; T524-Y561 PolarHBondContact O-OH 3.13Å; F527-Y561 WeakPolarHBondContact CD1-OH 3.47Å; A528-Y561 HydrophobicContact CB-CD1 4.42Å; A528-Y561 HydrophobicContact CB-CE1 3.52Å; L557-Y561 HydrophobicContact CD1-CD2 4.05Å; L557-Y561 HydrophobicContact CD1-CE2 3.83Å; L557-Y561 WeakPolarHBondContact O-CD2 3.33Å; L557-Y561 PolarHBondContact O-N 2.95Å; V558-Y561 PolarHBondContact O-N 2.9Å; D559-Y561 VanDerWaalsContact C-N 3.34Å; D559-Y561 PolarHBondContact O-N 3.32Å; Y561-V564 HydrophobicContact CD1-CB 4.46Å; Y561-V564 HydrophobicContact CD1-CG2 4.45Å; Y561-V565 WeakPolarHBondContact O-CG2 3.46Å; Y561-V565 PolarHBondContact O-N 2.95Å; Y561-V565 VanDerWaalsContact O-N 3.09Å; Y561-F594 AromaticContact CD1-CD1 3.96Å; Y561-F594 HydrophobicContact CD1-CD1 3.96Å; Y561-F594 AromaticContact CD2-CD1 3.67Å; Y561-F594 HydrophobicContact CD2-CD1 3.67Å; Y561-F594 AromaticContact CD2-CE1 3.68Å; Y561-F594 HydrophobicContact CD2-CE1 3.68Å; Y561-F594 AromaticContact CE1-CD1 3.73Å; Y561-F594 HydrophobicContact CE1-CD1 3.73Å; Y561-F594 HydrophobicContact CE1-CE1 4.24Å; Y561-F594 AromaticContact CE2-CD1 3.42Å; Y561-F594 HydrophobicContact CE2-CD1 3.42Å; Y561-F594 VanDerWaalsContact CE2-CD1 3.42Å; Y561-F594 AromaticContact CE2-CE1 3.14Å; Y561-F594 HydrophobicContact CE2-CE1 3.14Å; Y561-F594 HydrophobicContact CE2-CZ 4.29Å; Y561-F594 AromaticContact CG-CD1 3.94Å; Y561-F594 HydrophobicContact CG-CD1 3.94Å; Y561-F594 HydrophobicContact CG-CE1 4.41Å; Y561-F594 AromaticContact CZ-CD1 3.43Å; Y561-F594 VanDerWaalsContact CZ-CD1 3.43Å; Y561-F594 AromaticContact CZ-CE1 3.45Å; Y561-F594 VanDerWaalsContact CZ-CE1 3.45Å |
| 562 | K | 96.9 | Very high | 94.5 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 14% | 0.139 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | 165.2 | -72.9 | 164 | 52.2 | -168.6 | 0 | 110.7 | V558 D559 V564 V565 V566 L595 K613 Y615 I616 | V558-K562 HydrophobicContact CG1-CD 3.81Å; V558-K562 HydrophobicContact CG1-CG 4.42Å; V558-K562 WeakPolarHBondContact O-CG 3.35Å; V558-K562 PolarHBondContact O-N 2.72Å; D559-K562 WeakPolarHBondContact O-CB 3.42Å; D559-K562 PolarHBondContact O-N 3.13Å; D559-K562 IonicContact OD1-NZ 3.67Å; D559-K562 PolarHBondContact OD1-NZ 3.01Å; K562-V564 VanDerWaalsContact C-N 3.31Å; K562-V564 PolarHBondContact O-N 3.12Å; K562-V565 PolarHBondContact O-N 2.97Å; K562-V565 VanDerWaalsContact O-N 3.1Å; K562-V566 WeakPolarHBondContact O-CG2 3.16Å; K562-V566 PolarHBondContact O-N 3.48Å; K562-L595 HydrophobicContact CG-CD1 4.5Å; K562-L595 HydrophobicContact CG-CD2 4.43Å; K562-K613 WeakPolarHBondContact CD-O 3.29Å; K562-K613 PolarHBondContact NZ-O 3.41Å; K562-Y615 WeakPolarHBondContact CE-O 3.44Å; K562-I616 HydrophobicContact CB-CG1 4.29Å; K562-I616 HydrophobicContact CG-CD1 4.34Å; K562-I616 HydrophobicContact CG-CG1 3.98Å |
| 563 | D | 96.6 | Very high | 94.1 | Very high | 87 Ų | 87 | 36.9 Ų | 36.9 | 47% | 0.465 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.5 | -39.9 | 177.4 | -72.5 | -18.5 | 0 | 0 | 0 | 112 | D559 L560 V566 F567 | D559-D563 PolarHBondContact O-N 3.39Å; L560-D563 PolarHBondContact O-N 3.45Å; D563-V566 PolarHBondContact O-N 2.91Å; D563-F567 WeakPolarHBondContact O-CB 3.24Å; D563-F567 PolarHBondContact O-N 3.18Å |
| 564 | V | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 173.7 | 172 | 0 | 0 | 0 | 0 | 111.5 | Y520 T524 I525 L560 Y561 K562 F567 L568 | Y520-V564 HydrophobicContact CD1-CG2 4.05Å; Y520-V564 HydrophobicContact CD2-CB 4.4Å; Y520-V564 HydrophobicContact CD2-CG2 3.88Å; Y520-V564 HydrophobicContact CE1-CG2 4.19Å; Y520-V564 HydrophobicContact CE2-CG2 4.03Å; Y520-V564 HydrophobicContact CG-CG2 3.91Å; T524-V564 HydrophobicContact CG2-CG2 3.68Å; I525-V564 HydrophobicContact CD1-CG1 3.86Å; I525-V564 HydrophobicContact CG1-CG1 3.57Å; L560-V564 VanDerWaalsContact O-CG2 3.32Å; L560-V564 WeakPolarHBondContact O-CG2 3.2Å; L560-V564 PolarHBondContact O-N 2.93Å; L560-V564 VanDerWaalsContact O-N 3.1Å; Y561-V564 HydrophobicContact CD1-CB 4.46Å; Y561-V564 HydrophobicContact CD1-CG2 4.45Å; K562-V564 VanDerWaalsContact C-N 3.31Å; K562-V564 PolarHBondContact O-N 3.12Å; V564-F567 PolarHBondContact O-N 2.95Å; V564-L568 HydrophobicContact CG1-CD1 4.22Å; V564-L568 WeakPolarHBondContact O-CG 3.48Å; V564-L568 PolarHBondContact O-N 2.93Å |
| 565 | V | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | Y561 K562 F567 L568 L569 L588 L592 L595 I616 | Y561-V565 WeakPolarHBondContact O-CG2 3.46Å; Y561-V565 PolarHBondContact O-N 2.95Å; Y561-V565 VanDerWaalsContact O-N 3.09Å; K562-V565 PolarHBondContact O-N 2.97Å; K562-V565 VanDerWaalsContact O-N 3.1Å; V565-F567 VanDerWaalsContact C-N 3.33Å; V565-F567 PolarHBondContact O-N 2.98Å; V565-L568 PolarHBondContact O-N 2.84Å; V565-L569 HydrophobicContact CG1-CD1 3.81Å; V565-L569 HydrophobicContact CG1-CG 4.29Å; V565-L569 VanDerWaalsContact O-CG 3.24Å; V565-L569 WeakPolarHBondContact O-CG 3.11Å; V565-L569 PolarHBondContact O-N 3.36Å; V565-L588 HydrophobicContact CG1-CD1 4.15Å; V565-L592 HydrophobicContact CG1-CD2 4.3Å; V565-L592 HydrophobicContact CG2-CD2 4.06Å; V565-L592 HydrophobicContact CG2-CG 4.26Å; V565-L595 HydrophobicContact CG2-CD1 4Å; V565-I616 HydrophobicContact CB-CD1 4.09Å; V565-I616 HydrophobicContact CG1-CD1 3.76Å |
| 566 | V | 95.4 | Very high | 92.6 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | K562 D563 L568 L569 Q570 I616 E618 L622 | K562-V566 WeakPolarHBondContact O-CG2 3.16Å; K562-V566 PolarHBondContact O-N 3.48Å; D563-V566 PolarHBondContact O-N 2.91Å; V566-L568 PolarHBondContact O-N 3.32Å; V566-L569 PolarHBondContact O-N 3.33Å; V566-Q570 HydrophobicContact CG1-CG 4.4Å; V566-Q570 WeakPolarHBondContact O-CG 3.39Å; V566-Q570 PolarHBondContact O-N 2.81Å; V566-I616 HydrophobicContact CG2-CG2 3.47Å; V566-I616 VanDerWaalsContact CG2-CG2 3.47Å; V566-E618 HydrophobicContact CG2-CB 4.49Å; V566-L622 HydrophobicContact CG1-CD1 4.11Å |
| 567 | F | 94.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 176 | 169.6 | -98 | 0 | 0 | 0 | 112.3 | R517 Y520 I521 D563 V564 V565 L569 Q570 M571 | R517-F567 HydrophobicContact CB-CE2 4.49Å; Y520-F567 HydrophobicContact CD2-CB 3.79Å; Y520-F567 AromaticContact CD2-CD1 3.7Å; Y520-F567 HydrophobicContact CD2-CD1 3.7Å; Y520-F567 HydrophobicContact CD2-CD2 4.32Å; Y520-F567 HydrophobicContact CD2-CE1 4.35Å; Y520-F567 AromaticContact CD2-CG 3.67Å; Y520-F567 HydrophobicContact CD2-CG 3.67Å; Y520-F567 HydrophobicContact CE2-CB 3.86Å; Y520-F567 HydrophobicContact CE2-CG 4.14Å; I521-F567 HydrophobicContact CD1-CE1 4.25Å; I521-F567 HydrophobicContact CG1-CE1 4.27Å; D563-F567 WeakPolarHBondContact O-CB 3.24Å; D563-F567 PolarHBondContact O-N 3.18Å; V564-F567 PolarHBondContact O-N 2.95Å; V565-F567 VanDerWaalsContact C-N 3.33Å; V565-F567 PolarHBondContact O-N 2.98Å; F567-L569 VanDerWaalsContact C-N 3.33Å; F567-L569 PolarHBondContact O-N 2.84Å; F567-Q570 PolarHBondContact O-N 3.22Å; F567-M571 HydrophobicContact CD1-SD 4.27Å; F567-M571 HydrophobicContact CE1-CG 4.38Å; F567-M571 HydrophobicContact CE1-SD 3.48Å; F567-M571 WeakPolarHBondContact CE1-SD 3.44Å; F567-M571 HydrophobicContact CE2-SD 4.32Å; F567-M571 HydrophobicContact CZ-CG 4.25Å; F567-M571 HydrophobicContact CZ-SD 3.52Å; F567-M571 VanDerWaalsContact CZ-SD 3.52Å; F567-M571 WeakPolarHBondContact O-CG 3.24Å; F567-M571 PolarHBondContact O-N 3.49Å |
| 568 | L | 92.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.4 | -71.4 | 173.2 | 0 | 0 | 0 | 111.4 | I525 V564 V565 V566 M571 H572 F584 F587 L588 | I525-L568 HydrophobicContact CD1-CD1 4.06Å; I525-L568 HydrophobicContact CD1-CD2 4.11Å; I525-L568 HydrophobicContact CD1-CG 4.37Å; V564-L568 HydrophobicContact CG1-CD1 4.22Å; V564-L568 WeakPolarHBondContact O-CG 3.48Å; V564-L568 PolarHBondContact O-N 2.93Å; V565-L568 PolarHBondContact O-N 2.84Å; V566-L568 PolarHBondContact O-N 3.32Å; L568-M571 WeakPolarHBondContact O-CB 3.33Å; L568-M571 PolarHBondContact O-N 2.8Å; L568-H572 PolarHBondContact O-N 3.01Å; L568-F584 HydrophobicContact CB-CE2 3.71Å; L568-F584 HydrophobicContact CB-CZ 4.16Å; L568-F584 HydrophobicContact CD2-CD2 4.1Å; L568-F584 HydrophobicContact CD2-CE2 3.9Å; L568-F584 HydrophobicContact CG-CE2 4.38Å; L568-F584 WeakPolarHBondContact O-CE2 3.22Å; L568-F584 VanDerWaalsContact O-CZ 3.25Å; L568-F584 WeakPolarHBondContact O-CZ 3.45Å; L568-F587 HydrophobicContact CD1-CB 4.15Å; L568-F587 HydrophobicContact CD2-CB 4.31Å; L568-L588 HydrophobicContact CB-CD1 4.43Å; L568-L588 HydrophobicContact CD1-CB 4.41Å; L568-L588 HydrophobicContact CD1-CD1 4.4Å |
| 569 | L | 92.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.1 | -35.9 | 179 | -65.6 | 175.5 | 0 | 0 | 0 | 112.9 | V565 V566 F567 M571 H572 K573 L588 L619 L622 I623 | V565-L569 HydrophobicContact CG1-CD1 3.81Å; V565-L569 HydrophobicContact CG1-CG 4.29Å; V565-L569 VanDerWaalsContact O-CG 3.24Å; V565-L569 WeakPolarHBondContact O-CG 3.11Å; V565-L569 PolarHBondContact O-N 3.36Å; V566-L569 PolarHBondContact O-N 3.33Å; F567-L569 VanDerWaalsContact C-N 3.33Å; F567-L569 PolarHBondContact O-N 2.84Å; L569-M571 VanDerWaalsContact C-N 3.34Å; L569-H572 WeakPolarHBondContact O-CB 3.28Å; L569-H572 PolarHBondContact O-N 2.88Å; L569-K573 PolarHBondContact O-N 2.92Å; L569-L588 HydrophobicContact CD2-CD1 4.2Å; L569-L588 HydrophobicContact CD2-CD2 4.1Å; L569-L619 HydrophobicContact CD1-CD2 3.49Å; L569-L619 VanDerWaalsContact CD1-CD2 3.49Å; L569-L622 HydrophobicContact CB-CB 4.25Å; L569-L622 HydrophobicContact CB-CD1 3.97Å; L569-I623 HydrophobicContact CD1-CD1 3.66Å; L569-I623 HydrophobicContact CD1-CG1 4.35Å; L569-I623 HydrophobicContact CD2-CD1 3.43Å; L569-I623 VanDerWaalsContact CD2-CD1 3.43Å; L569-I623 HydrophobicContact CD2-CG1 4.08Å; L569-I623 HydrophobicContact CG-CD1 4.06Å |
| 570 | Q | 92.1 | Very high | 90 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 170.8 | -74.3 | 174.4 | -1.2 | 0 | 0 | 111.2 | V566 F567 H572 K573 M574 L622 | V566-Q570 HydrophobicContact CG1-CG 4.4Å; V566-Q570 WeakPolarHBondContact O-CG 3.39Å; V566-Q570 PolarHBondContact O-N 2.81Å; F567-Q570 PolarHBondContact O-N 3.22Å; Q570-H572 VanDerWaalsContact C-N 3.31Å; Q570-H572 PolarHBondContact O-N 3.45Å; Q570-K573 PolarHBondContact O-N 3.47Å; Q570-M574 WeakPolarHBondContact O-CG 3.37Å; Q570-M574 PolarHBondContact O-N 2.82Å; Q570-M574 VanDerWaalsContact O-N 3.14Å; Q570-L622 HydrophobicContact CG-CD1 4.24Å; Q570-L622 HydrophobicContact CG-CD2 3.77Å |
| 571 | M | 88.4 | Confident | 89.4 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 35% | 0.345 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 173.5 | -70 | -172.1 | 70.4 | 0 | 0 | 112.1 | I521 F567 L568 L569 K573 M574 G575 | I521-M571 HydrophobicContact CD1-SD 4.42Å; F567-M571 HydrophobicContact CD1-SD 4.27Å; F567-M571 HydrophobicContact CE1-CG 4.38Å; F567-M571 HydrophobicContact CE1-SD 3.48Å; F567-M571 WeakPolarHBondContact CE1-SD 3.44Å; F567-M571 HydrophobicContact CE2-SD 4.32Å; F567-M571 HydrophobicContact CZ-CG 4.25Å; F567-M571 HydrophobicContact CZ-SD 3.52Å; F567-M571 VanDerWaalsContact CZ-SD 3.52Å; F567-M571 WeakPolarHBondContact O-CG 3.24Å; F567-M571 PolarHBondContact O-N 3.49Å; L568-M571 WeakPolarHBondContact O-CB 3.33Å; L568-M571 PolarHBondContact O-N 2.8Å; L569-M571 VanDerWaalsContact C-N 3.34Å; M571-K573 VanDerWaalsContact C-N 3.33Å; M571-K573 PolarHBondContact O-N 3.3Å; M571-M574 PolarHBondContact O-N 2.87Å; M571-G575 PolarHBondContact O-N 3.22Å |
| 572 | H | 86.7 | Confident | 88.7 | Confident | 89 Ų | 89 | 71 Ų | 71 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 176.2 | -171 | 62 | 0 | 0 | 0 | 112.3 | L568 L569 Q570 M574 G575 I576 F584 | L568-H572 PolarHBondContact O-N 3.01Å; L569-H572 WeakPolarHBondContact O-CB 3.28Å; L569-H572 PolarHBondContact O-N 2.88Å; Q570-H572 VanDerWaalsContact C-N 3.31Å; Q570-H572 PolarHBondContact O-N 3.45Å; H572-M574 VanDerWaalsContact C-N 3.29Å; H572-M574 PolarHBondContact O-N 3.45Å; H572-G575 PolarHBondContact O-N 3.07Å; H572-G575 VanDerWaalsContact O-N 3.08Å; H572-I576 HydrophobicContact CB-CD1 4.09Å; H572-F584 HydrophobicContact CB-CE1 4.12Å; H572-F584 HydrophobicContact CB-CE2 4.48Å; H572-F584 HydrophobicContact CB-CZ 3.72Å; H572-F584 AromaticContact ND1-CE1 3.93Å |
| 573 | K | 86.1 | Confident | 88.2 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.2 | -31.2 | 178 | -170.6 | 173.3 | -178.3 | 174.9 | 0 | 113 | L569 Q570 M571 G575 A621 L622 | L569-K573 PolarHBondContact O-N 2.92Å; Q570-K573 PolarHBondContact O-N 3.47Å; M571-K573 VanDerWaalsContact C-N 3.33Å; M571-K573 PolarHBondContact O-N 3.3Å; K573-G575 VanDerWaalsContact C-N 3.26Å; K573-G575 PolarHBondContact O-N 2.81Å; K573-A621 PolarHBondContact NZ-O 3.1Å; K573-L622 HydrophobicContact CD-CD2 4.13Å |
| 574 | M | 85.7 | Confident | 87.9 | Confident | 175 Ų | 175 | 70.8 Ų | 70.8 | 86% | 0.862 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -77.6 | -9.8 | 175.4 | -62.9 | -169.5 | 92.1 | 0 | 0 | 113.7 | Q570 M571 H572 | Q570-M574 WeakPolarHBondContact O-CG 3.37Å; Q570-M574 PolarHBondContact O-N 2.82Å; Q570-M574 VanDerWaalsContact O-N 3.14Å; M571-M574 PolarHBondContact O-N 2.87Å; H572-M574 VanDerWaalsContact C-N 3.29Å; H572-M574 PolarHBondContact O-N 3.45Å |
| 575 | G | 82.4 | Confident | 87.4 | Confident | 55 Ų | 55 | 72 Ų | 72 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | trans | 94.3 | 122.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M571 H572 K573 | M571-G575 PolarHBondContact O-N 3.22Å; H572-G575 PolarHBondContact O-N 3.07Å; H572-G575 VanDerWaalsContact O-N 3.08Å; K573-G575 VanDerWaalsContact C-N 3.26Å; K573-G575 PolarHBondContact O-N 2.81Å | ||
| 576 | I | 82.5 | Confident | 87.2 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 16% | 0.159 | 40% | 0.396 | C | S | . | . | trans | -106 | 132.8 | -178.7 | -59 | 175.4 | 0 | 0 | 0 | 109.5 | H572 E580 F584 | H572-I576 HydrophobicContact CB-CD1 4.09Å; I576-E580 HydrophobicContact CG2-CB 4.06Å; I576-F584 HydrophobicContact CD1-CB 3.98Å; I576-F584 HydrophobicContact CD1-CD1 3.52Å; I576-F584 HydrophobicContact CD1-CD2 3.28Å; I576-F584 HydrophobicContact CD1-CE1 3.76Å; I576-F584 HydrophobicContact CD1-CE2 3.51Å; I576-F584 HydrophobicContact CD1-CG 3.27Å; I576-F584 HydrophobicContact CD1-CZ 3.76Å; I576-F584 HydrophobicContact CG2-CB 4.46Å | ||
| 577 | P | 85.7 | Confident | 87.1 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | trans | -56.2 | 140.1 | 174.3 | -24.8 | 34.2 | 0 | 0 | 0 | 112.1 | A579 E580 Q581 | P577-A579 PolarHBondContact O-N 3.03Å; P577-E580 PolarHBondContact O-N 3.16Å; P577-Q581 PolarHBondContact O-N 3.4Å | ||
| 578 | P | 80.4 | Confident | 87.1 | Confident | 114 Ų | 114 | 74.9 Ų | 74.9 | 74% | 0.74 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.2 | -178.6 | -25.8 | 33.1 | 0 | 0 | 0 | 114.2 | E580 | P578-E580 VanDerWaalsContact C-N 3.33Š|
| 579 | A | 81.5 | Confident | 87.1 | Confident | 91 Ų | 91 | 76.6 Ų | 76.6 | 75% | 0.752 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -32.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P577 | P577-A579 PolarHBondContact O-N 3.03Š|
| 580 | E | 83.6 | Confident | 87.3 | Confident | 106 Ų | 106 | 76.9 Ų | 76.9 | 50% | 0.495 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -9.7 | -175.6 | -67.6 | 178.8 | -166.8 | 0 | 0 | 112.8 | I576 P577 P578 R582 I583 F584 | I576-E580 HydrophobicContact CG2-CB 4.06Å; P577-E580 PolarHBondContact O-N 3.16Å; P578-E580 VanDerWaalsContact C-N 3.33Å; E580-R582 VanDerWaalsContact C-N 3.26Å; E580-R582 PolarHBondContact O-N 3.43Å; E580-I583 PolarHBondContact O-N 3.36Å; E580-F584 PolarHBondContact O-N 3.44Å |
| 581 | Q | 82.8 | Confident | 87.5 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 42% | 0.421 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.2 | -34.8 | -173.7 | -164.6 | 159.3 | 9.9 | 0 | 0 | 113.3 | P577 T585 | P577-Q581 PolarHBondContact O-N 3.4Å; Q581-T585 PolarHBondContact O-N 3.3Å; Q581-T585 PolarHBondContact O-OG1 3.17Å |
| 582 | R | 84.2 | Confident | 87.9 | Confident | 221 Ų | 221 | 70 Ų | 70 | 83% | 0.834 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 175.2 | -69.5 | -177.4 | 179.5 | 176.9 | 0 | 112.7 | E580 C586 | E580-R582 VanDerWaalsContact C-N 3.26Å; E580-R582 PolarHBondContact O-N 3.43Å; R582-C586 PolarHBondContact O-N 3.33Å; R582-C586 VanDerWaalsContact O-N 3.1Å |
| 583 | I | 86 | Confident | 88.4 | Confident | 92 Ų | 92 | 70.6 Ų | 70.6 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 179.5 | -62.5 | 174.5 | 0 | 0 | 0 | 108.7 | E580 T585 C586 F587 | E580-I583 PolarHBondContact O-N 3.36Å; I583-T585 PolarHBondContact O-N 2.91Å; I583-C586 WeakPolarHBondContact O-CB 3.47Å; I583-C586 PolarHBondContact O-N 3.35Å; I583-C586 VanDerWaalsContact O-N 3.14Å; I583-F587 HydrophobicContact CG2-CD1 4.39Å; I583-F587 HydrophobicContact CG2-CD2 4.01Å; I583-F587 HydrophobicContact CG2-CE1 3.9Å; I583-F587 HydrophobicContact CG2-CE2 3.45Å; I583-F587 VanDerWaalsContact CG2-CE2 3.45Å; I583-F587 HydrophobicContact CG2-CG 4.45Å; I583-F587 HydrophobicContact CG2-CZ 3.4Å; I583-F587 VanDerWaalsContact CG2-CZ 3.4Å; I583-F587 WeakPolarHBondContact O-CG 3.3Å; I583-F587 PolarHBondContact O-N 2.98Å |
| 584 | F | 88.9 | Confident | 88.9 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.1 | -51.2 | 174.4 | 177.2 | -98.4 | 0 | 0 | 0 | 112.7 | L568 H572 I576 E580 C586 F587 L588 | L568-F584 HydrophobicContact CB-CE2 3.71Å; L568-F584 HydrophobicContact CB-CZ 4.16Å; L568-F584 HydrophobicContact CD2-CD2 4.1Å; L568-F584 HydrophobicContact CD2-CE2 3.9Å; L568-F584 HydrophobicContact CG-CE2 4.38Å; L568-F584 WeakPolarHBondContact O-CE2 3.22Å; L568-F584 VanDerWaalsContact O-CZ 3.25Å; L568-F584 WeakPolarHBondContact O-CZ 3.45Å; H572-F584 HydrophobicContact CB-CE1 4.12Å; H572-F584 HydrophobicContact CB-CE2 4.48Å; H572-F584 HydrophobicContact CB-CZ 3.72Å; H572-F584 AromaticContact ND1-CE1 3.93Å; I576-F584 HydrophobicContact CD1-CB 3.98Å; I576-F584 HydrophobicContact CD1-CD1 3.52Å; I576-F584 HydrophobicContact CD1-CD2 3.28Å; I576-F584 HydrophobicContact CD1-CE1 3.76Å; I576-F584 HydrophobicContact CD1-CE2 3.51Å; I576-F584 HydrophobicContact CD1-CG 3.27Å; I576-F584 HydrophobicContact CD1-CZ 3.76Å; I576-F584 HydrophobicContact CG2-CB 4.46Å; E580-F584 PolarHBondContact O-N 3.44Å; F584-C586 VanDerWaalsContact C-N 3.25Å; F584-C586 PolarHBondContact O-N 3.42Å; F584-F587 PolarHBondContact O-N 3.14Å; F584-F587 VanDerWaalsContact O-N 3.1Å; F584-L588 HydrophobicContact CE1-CD2 4.21Å; F584-L588 HydrophobicContact CZ-CD2 4.41Å; F584-L588 PolarHBondContact O-N 3.41Å |
| 585 | T | 88 | Confident | 89.5 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 16% | 0.16 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56 | -42.8 | 176.8 | -63 | 0 | 0 | 0 | 0 | 111.1 | Q581 I583 L588 D589 G644 V646 | Q581-T585 PolarHBondContact O-N 3.3Å; Q581-T585 PolarHBondContact O-OG1 3.17Å; I583-T585 PolarHBondContact O-N 2.91Å; T585-L588 PolarHBondContact O-N 3Å; T585-D589 WeakPolarHBondContact O-CB 3.38Å; T585-D589 PolarHBondContact O-N 3.4Å; T585-G644 WeakPolarHBondContact CG2-O 3.41Å; T585-G644 PolarHBondContact OG1-O 3.41Å; T585-G644 VanDerWaalsContact OG1-O 3.1Å; T585-V646 HydrophobicContact CG2-CG2 3.63Å |
| 586 | C | 90.8 | Very high | 90.2 | Very high | 55 Ų | 55 | 55.5 Ų | 55.5 | 37% | 0.372 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | R582 I583 F584 T590 | R582-C586 PolarHBondContact O-N 3.33Å; R582-C586 VanDerWaalsContact O-N 3.1Å; I583-C586 WeakPolarHBondContact O-CB 3.47Å; I583-C586 PolarHBondContact O-N 3.35Å; I583-C586 VanDerWaalsContact O-N 3.14Å; F584-C586 VanDerWaalsContact C-N 3.25Å; F584-C586 PolarHBondContact O-N 3.42Å; C586-T590 VanDerWaalsContact O-CB 3.28Å; C586-T590 WeakPolarHBondContact O-CB 3.4Å; C586-T590 PolarHBondContact O-N 2.94Å; C586-T590 PolarHBondContact O-OG1 3.45Å |
| 587 | F | 94.1 | Very high | 90.9 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 19% | 0.193 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 177.7 | -71.1 | -8.9 | 0 | 0 | 0 | 112.7 | I521 I525 L568 I583 F584 T590 S591 | I521-F587 HydrophobicContact CG2-CE2 3.78Å; I521-F587 HydrophobicContact CG2-CZ 4.29Å; I525-F587 HydrophobicContact CD1-CB 4.17Å; I525-F587 HydrophobicContact CD1-CD2 4.3Å; I525-F587 HydrophobicContact CD1-CG 4.3Å; I525-F587 HydrophobicContact CG2-CB 3.92Å; I525-F587 HydrophobicContact CG2-CD1 3.55Å; I525-F587 HydrophobicContact CG2-CE1 4.18Å; I525-F587 HydrophobicContact CG2-CG 3.78Å; L568-F587 HydrophobicContact CD1-CB 4.15Å; L568-F587 HydrophobicContact CD2-CB 4.31Å; I583-F587 HydrophobicContact CG2-CD1 4.39Å; I583-F587 HydrophobicContact CG2-CD2 4.01Å; I583-F587 HydrophobicContact CG2-CE1 3.9Å; I583-F587 HydrophobicContact CG2-CE2 3.45Å; I583-F587 VanDerWaalsContact CG2-CE2 3.45Å; I583-F587 HydrophobicContact CG2-CG 4.45Å; I583-F587 HydrophobicContact CG2-CZ 3.4Å; I583-F587 VanDerWaalsContact CG2-CZ 3.4Å; I583-F587 WeakPolarHBondContact O-CG 3.3Å; I583-F587 PolarHBondContact O-N 2.98Å; F584-F587 PolarHBondContact O-N 3.14Å; F584-F587 VanDerWaalsContact O-N 3.1Å; F587-T590 PolarHBondContact O-N 3.24Å; F587-S591 WeakPolarHBondContact O-CB 3.41Å; F587-S591 PolarHBondContact O-N 3.41Å; F587-S591 PolarHBondContact O-OG 3.06Å |
| 588 | L | 93.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -47 | 176 | -175.1 | 61.4 | 0 | 0 | 0 | 111.3 | V565 L568 L569 F584 T585 T590 S591 L592 V646 | V565-L588 HydrophobicContact CG1-CD1 4.15Å; L568-L588 HydrophobicContact CB-CD1 4.43Å; L568-L588 HydrophobicContact CD1-CB 4.41Å; L568-L588 HydrophobicContact CD1-CD1 4.4Å; L569-L588 HydrophobicContact CD2-CD1 4.2Å; L569-L588 HydrophobicContact CD2-CD2 4.1Å; F584-L588 HydrophobicContact CE1-CD2 4.21Å; F584-L588 HydrophobicContact CZ-CD2 4.41Å; F584-L588 PolarHBondContact O-N 3.41Å; T585-L588 PolarHBondContact O-N 3Å; L588-T590 VanDerWaalsContact C-N 3.34Å; L588-T590 PolarHBondContact O-N 3.38Å; L588-S591 PolarHBondContact O-N 3.05Å; L588-L592 HydrophobicContact CD1-CD1 4.06Å; L588-L592 HydrophobicContact CD1-CG 4.42Å; L588-L592 HydrophobicContact CG-CD1 3.99Å; L588-L592 WeakPolarHBondContact O-CB 3.45Å; L588-L592 WeakPolarHBondContact O-CG 3.19Å; L588-L592 PolarHBondContact O-N 3.48Å; L588-V646 HydrophobicContact CD2-CB 4.34Å; L588-V646 HydrophobicContact CD2-CG1 4.42Å; L588-V646 HydrophobicContact CG-CG1 4.39Å |
| 589 | D | 93.5 | Very high | 92.1 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 175.2 | -174.9 | 72.6 | 0 | 0 | 0 | 111.3 | T585 S591 L592 R593 V646 K650 Y651 | T585-D589 WeakPolarHBondContact O-CB 3.38Å; T585-D589 PolarHBondContact O-N 3.4Å; D589-S591 PolarHBondContact O-N 3.3Å; D589-L592 PolarHBondContact O-N 2.86Å; D589-R593 VanDerWaalsContact O-CB 3.3Å; D589-R593 WeakPolarHBondContact O-CB 3.37Å; D589-R593 VanDerWaalsContact O-CG 3.22Å; D589-R593 WeakPolarHBondContact O-CG 3.46Å; D589-R593 PolarHBondContact O-N 3.14Å; D589-R593 WeakPolarHBondContact OD2-CD 3.28Å; D589-V646 HydrophobicContact CB-CG2 3.63Å; D589-K650 IonicContact OD1-NZ 2.88Å; D589-Y651 PolarHBondContact OD1-OH 3.03Å |
| 590 | T | 95.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | -179.5 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | A528 K529 C586 F587 L588 R593 F594 | A528-T590 HydrophobicContact CB-CG2 4Å; K529-T590 HydrophobicContact CB-CG2 3.86Å; C586-T590 VanDerWaalsContact O-CB 3.28Å; C586-T590 WeakPolarHBondContact O-CB 3.4Å; C586-T590 PolarHBondContact O-N 2.94Å; C586-T590 PolarHBondContact O-OG1 3.45Å; F587-T590 PolarHBondContact O-N 3.24Å; L588-T590 VanDerWaalsContact C-N 3.34Å; L588-T590 PolarHBondContact O-N 3.38Å; T590-R593 PolarHBondContact O-N 3.35Å; T590-F594 PolarHBondContact O-N 3.07Å |
| 591 | S | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | -178.9 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | F587 L588 D589 F594 L595 | F587-S591 WeakPolarHBondContact O-CB 3.41Å; F587-S591 PolarHBondContact O-N 3.41Å; F587-S591 PolarHBondContact O-OG 3.06Å; L588-S591 PolarHBondContact O-N 3.05Å; D589-S591 PolarHBondContact O-N 3.3Å; S591-F594 PolarHBondContact O-N 3.29Å; S591-L595 PolarHBondContact O-N 2.92Å |
| 592 | L | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 176.7 | -71.3 | 168 | 0 | 0 | 0 | 112.6 | V565 L588 D589 F594 L595 E596 V646 L648 Y651 V654 | V565-L592 HydrophobicContact CG1-CD2 4.3Å; V565-L592 HydrophobicContact CG2-CD2 4.06Å; V565-L592 HydrophobicContact CG2-CG 4.26Å; L588-L592 HydrophobicContact CD1-CD1 4.06Å; L588-L592 HydrophobicContact CD1-CG 4.42Å; L588-L592 HydrophobicContact CG-CD1 3.99Å; L588-L592 WeakPolarHBondContact O-CB 3.45Å; L588-L592 WeakPolarHBondContact O-CG 3.19Å; L588-L592 PolarHBondContact O-N 3.48Å; D589-L592 PolarHBondContact O-N 2.86Å; L592-F594 VanDerWaalsContact C-N 3.31Å; L592-F594 PolarHBondContact O-N 2.77Å; L592-L595 PolarHBondContact O-N 3.33Å; L592-E596 WeakPolarHBondContact O-CB 3.12Å; L592-E596 PolarHBondContact O-N 3.46Å; L592-V646 HydrophobicContact CD1-CG1 3.81Å; L592-L648 HydrophobicContact CD1-CD2 4.08Å; L592-L648 HydrophobicContact CD1-CG 4.4Å; L592-L648 HydrophobicContact CD2-CD2 4.13Å; L592-Y651 HydrophobicContact CB-CD1 4.14Å; L592-Y651 HydrophobicContact CB-CD2 3.83Å; L592-Y651 HydrophobicContact CB-CE1 4.01Å; L592-Y651 HydrophobicContact CB-CE2 3.7Å; L592-Y651 HydrophobicContact CB-CG 4.06Å; L592-Y651 HydrophobicContact CD1-CD2 3.82Å; L592-Y651 HydrophobicContact CD1-CE2 3.92Å; L592-Y651 HydrophobicContact CD2-CD2 4.42Å; L592-Y651 HydrophobicContact CD2-CG 4.48Å; L592-Y651 HydrophobicContact CG-CD2 4.25Å; L592-Y651 HydrophobicContact CG-CE2 4.4Å; L592-V654 HydrophobicContact CD2-CG1 4.12Å |
| 593 | R | 96.8 | Very high | 94.1 | Very high | 101 Ų | 101 | 33.6 Ų | 33.6 | 38% | 0.381 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.5 | -35.3 | 173.5 | -75.5 | -177.3 | 68.9 | -164.7 | -3.6 | 112.2 | V532 D589 T590 E596 I597 Y651 | V532-R593 HydrophobicContact CG1-CB 4.16Å; V532-R593 HydrophobicContact CG2-CB 4.08Å; D589-R593 VanDerWaalsContact O-CB 3.3Å; D589-R593 WeakPolarHBondContact O-CB 3.37Å; D589-R593 VanDerWaalsContact O-CG 3.22Å; D589-R593 WeakPolarHBondContact O-CG 3.46Å; D589-R593 PolarHBondContact O-N 3.14Å; D589-R593 WeakPolarHBondContact OD2-CD 3.28Å; T590-R593 PolarHBondContact O-N 3.35Å; R593-E596 WeakPolarHBondContact O-CB 3.49Å; R593-E596 PolarHBondContact O-N 2.97Å; R593-I597 WeakPolarHBondContact O-CG1 3.32Å; R593-I597 PolarHBondContact O-N 2.9Å; R593-I597 VanDerWaalsContact O-N 3.08Å; R593-Y651 HydrophobicContact CG-CE1 4.31Å; R593-Y651 VanDerWaalsContact CG-OH 3.25Å; R593-Y651 WeakPolarHBondContact CG-OH 3.37Å |
| 594 | F | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.1 | -44 | 174.9 | -171.8 | -159.4 | 0 | 0 | 0 | 111.3 | F527 A528 V531 V532 W546 L557 Y561 T590 S591 L592 E596 I597 L598 | F527-F594 HydrophobicContact CE1-CE1 4.41Å; A528-F594 HydrophobicContact CB-CB 4.14Å; A528-F594 HydrophobicContact CB-CD1 3.63Å; A528-F594 HydrophobicContact CB-CE1 4.42Å; A528-F594 HydrophobicContact CB-CG 4.22Å; V531-F594 HydrophobicContact CB-CD2 4.47Å; V531-F594 HydrophobicContact CB-CE2 4.35Å; V531-F594 HydrophobicContact CG1-CD2 3.85Å; V531-F594 HydrophobicContact CG1-CE2 3.65Å; V531-F594 HydrophobicContact CG1-CZ 4.23Å; V531-F594 HydrophobicContact CG2-CE2 4.48Å; V531-F594 HydrophobicContact CG2-CZ 4.25Å; V532-F594 HydrophobicContact CG2-CB 4.02Å; W546-F594 AromaticContact CH2-CE2 3.59Å; W546-F594 HydrophobicContact CH2-CE2 3.59Å; W546-F594 HydrophobicContact CH2-CZ 4.1Å; W546-F594 HydrophobicContact CZ2-CE2 4.02Å; W546-F594 HydrophobicContact CZ2-CZ 4.08Å; W546-F594 HydrophobicContact CZ3-CE2 4.27Å; L557-F594 HydrophobicContact CD1-CE1 4.41Å; L557-F594 HydrophobicContact CD1-CZ 4.4Å; L557-F594 HydrophobicContact CD2-CZ 4.33Å; Y561-F594 AromaticContact CD1-CD1 3.96Å; Y561-F594 HydrophobicContact CD1-CD1 3.96Å; Y561-F594 AromaticContact CD2-CD1 3.67Å; Y561-F594 HydrophobicContact CD2-CD1 3.67Å; Y561-F594 AromaticContact CD2-CE1 3.68Å; Y561-F594 HydrophobicContact CD2-CE1 3.68Å; Y561-F594 AromaticContact CE1-CD1 3.73Å; Y561-F594 HydrophobicContact CE1-CD1 3.73Å; Y561-F594 HydrophobicContact CE1-CE1 4.24Å; Y561-F594 AromaticContact CE2-CD1 3.42Å; Y561-F594 HydrophobicContact CE2-CD1 3.42Å; Y561-F594 VanDerWaalsContact CE2-CD1 3.42Å; Y561-F594 AromaticContact CE2-CE1 3.14Å; Y561-F594 HydrophobicContact CE2-CE1 3.14Å; Y561-F594 HydrophobicContact CE2-CZ 4.29Å; Y561-F594 AromaticContact CG-CD1 3.94Å; Y561-F594 HydrophobicContact CG-CD1 3.94Å; Y561-F594 HydrophobicContact CG-CE1 4.41Å; Y561-F594 AromaticContact CZ-CD1 3.43Å; Y561-F594 VanDerWaalsContact CZ-CD1 3.43Å; Y561-F594 AromaticContact CZ-CE1 3.45Å; Y561-F594 VanDerWaalsContact CZ-CE1 3.45Å; T590-F594 PolarHBondContact O-N 3.07Å; S591-F594 PolarHBondContact O-N 3.29Å; L592-F594 VanDerWaalsContact C-N 3.31Å; L592-F594 PolarHBondContact O-N 2.77Å; F594-E596 PolarHBondContact O-N 2.78Å; F594-I597 HydrophobicContact CD2-CB 4.41Å; F594-I597 WeakPolarHBondContact O-CB 3.44Å; F594-I597 PolarHBondContact O-N 2.9Å; F594-L598 HydrophobicContact CD2-CG 4.26Å; F594-L598 HydrophobicContact CE2-CD1 4.31Å; F594-L598 HydrophobicContact CE2-CD2 3.95Å; F594-L598 HydrophobicContact CE2-CG 3.98Å; F594-L598 HydrophobicContact CZ-CD1 4.48Å; F594-L598 HydrophobicContact CZ-CD2 4.43Å; F594-L598 PolarHBondContact O-N 2.79Å |
| 595 | L | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.4 | -37.5 | 171.2 | -74.8 | 172.3 | 0 | 0 | 0 | 112.3 | V558 K562 V565 S591 L592 I597 L598 H599 F653 | V558-L595 HydrophobicContact CG1-CD2 4.33Å; K562-L595 HydrophobicContact CG-CD1 4.5Å; K562-L595 HydrophobicContact CG-CD2 4.43Å; V565-L595 HydrophobicContact CG2-CD1 4Å; S591-L595 PolarHBondContact O-N 2.92Å; L592-L595 PolarHBondContact O-N 3.33Å; L595-I597 PolarHBondContact O-N 3.21Å; L595-L598 PolarHBondContact O-N 3.42Å; L595-H599 VanDerWaalsContact O-CB 3.27Å; L595-H599 WeakPolarHBondContact O-CB 3.31Å; L595-H599 PolarHBondContact O-N 2.8Å; L595-F653 HydrophobicContact CB-CE2 3.81Å; L595-F653 HydrophobicContact CB-CZ 3.9Å |
| 596 | E | 96.9 | Very high | 93.7 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 175 | -171 | -165.9 | 177.1 | 0 | 0 | 112.1 | L592 R593 F594 H599 K600 Y651 F653 | L592-E596 WeakPolarHBondContact O-CB 3.12Å; L592-E596 PolarHBondContact O-N 3.46Å; R593-E596 WeakPolarHBondContact O-CB 3.49Å; R593-E596 PolarHBondContact O-N 2.97Å; F594-E596 PolarHBondContact O-N 2.78Å; E596-H599 PolarHBondContact O-N 3.47Å; E596-K600 WeakPolarHBondContact O-CG 3.29Å; E596-K600 PolarHBondContact O-N 3.13Å; E596-K600 VanDerWaalsContact OE1-CE 3.3Å; E596-K600 WeakPolarHBondContact OE1-CE 3.22Å; E596-K600 IonicContact OE1-NZ 3.5Å; E596-K600 PolarHBondContact OE1-NZ 3.49Å; E596-Y651 HydrophobicContact CB-CD1 4.09Å; E596-Y651 HydrophobicContact CB-CE1 4.09Å; E596-Y651 HydrophobicContact CG-CD1 4.41Å; E596-Y651 HydrophobicContact CG-CE1 4.47Å; E596-F653 HydrophobicContact CB-CE1 3.97Å; E596-F653 HydrophobicContact CB-CZ 4.13Å; E596-F653 HydrophobicContact CG-CE1 4.2Å |
| 597 | I | 97.1 | Very high | 93.3 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -48.4 | 174.9 | -69.6 | 165.4 | 0 | 0 | 0 | 110.1 | V532 L539 W546 R593 F594 L595 H599 K600 V601 | V532-I597 HydrophobicContact CG2-CD1 4.06Å; L539-I597 HydrophobicContact CD1-CD1 4.26Å; L539-I597 HydrophobicContact CD1-CG2 4.1Å; L539-I597 HydrophobicContact CD2-CD1 4.38Å; W546-I597 HydrophobicContact CZ3-CG2 3.8Å; R593-I597 WeakPolarHBondContact O-CG1 3.32Å; R593-I597 PolarHBondContact O-N 2.9Å; R593-I597 VanDerWaalsContact O-N 3.08Å; F594-I597 HydrophobicContact CD2-CB 4.41Å; F594-I597 WeakPolarHBondContact O-CB 3.44Å; F594-I597 PolarHBondContact O-N 2.9Å; L595-I597 PolarHBondContact O-N 3.21Å; I597-H599 VanDerWaalsContact C-N 3.32Å; I597-H599 PolarHBondContact O-N 3.31Å; I597-K600 PolarHBondContact O-N 3.06Å; I597-V601 WeakPolarHBondContact O-CG2 3.44Å; I597-V601 PolarHBondContact O-N 2.83Å |
| 598 | L | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 177.3 | -62.7 | 175.8 | 0 | 0 | 0 | 110.7 | W546 F554 L557 V558 F594 L595 K600 V601 N602 F614 | W546-L598 HydrophobicContact CD2-CD2 4.16Å; W546-L598 HydrophobicContact CE3-CD2 4.14Å; W546-L598 HydrophobicContact CZ3-CD2 4.37Å; F554-L598 HydrophobicContact CE2-CD2 4.24Å; F554-L598 HydrophobicContact CZ-CB 4.15Å; F554-L598 WeakPolarHBondContact CZ-O 3.15Å; L557-L598 HydrophobicContact CD2-CD1 4.1Å; L557-L598 HydrophobicContact CD2-CD2 3.7Å; L557-L598 HydrophobicContact CG-CD1 3.86Å; L557-L598 HydrophobicContact CG-CD2 4.4Å; V558-L598 HydrophobicContact CG2-CB 4.31Å; V558-L598 HydrophobicContact CG2-CD1 4.08Å; F594-L598 HydrophobicContact CD2-CG 4.26Å; F594-L598 HydrophobicContact CE2-CD1 4.31Å; F594-L598 HydrophobicContact CE2-CD2 3.95Å; F594-L598 HydrophobicContact CE2-CG 3.98Å; F594-L598 HydrophobicContact CZ-CD1 4.48Å; F594-L598 HydrophobicContact CZ-CD2 4.43Å; F594-L598 PolarHBondContact O-N 2.79Å; L595-L598 PolarHBondContact O-N 3.42Å; L598-K600 PolarHBondContact O-N 3.48Å; L598-V601 WeakPolarHBondContact O-CB 3.3Å; L598-V601 PolarHBondContact O-N 3.33Å; L598-V601 VanDerWaalsContact O-N 3.13Å; L598-N602 PolarHBondContact O-N 3.34Å; L598-F614 HydrophobicContact CB-CE1 4.41Å |
| 599 | H | 95.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 6% | 0.06 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.5 | -47.9 | 177 | -177 | 53.9 | 0 | 0 | 0 | 112.1 | L595 E596 I597 V601 N602 E603 Y611 F614 F653 | L595-H599 VanDerWaalsContact O-CB 3.27Å; L595-H599 WeakPolarHBondContact O-CB 3.31Å; L595-H599 PolarHBondContact O-N 2.8Å; E596-H599 PolarHBondContact O-N 3.47Å; I597-H599 VanDerWaalsContact C-N 3.32Å; I597-H599 PolarHBondContact O-N 3.31Å; H599-V601 VanDerWaalsContact C-N 3.29Å; H599-V601 PolarHBondContact O-N 3.08Å; H599-N602 WeakPolarHBondContact O-CB 3.42Å; H599-N602 PolarHBondContact O-N 2.97Å; H599-N602 VanDerWaalsContact O-N 3.12Å; H599-E603 IonicContact CD2-OE2 3.5Å; H599-E603 IonicContact CE1-OE1 3.71Å; H599-E603 IonicContact NE2-OE1 2.76Å; H599-E603 IonicContact NE2-OE2 3.6Å; H599-E603 PolarHBondContact O-N 2.96Å; H599-Y611 AromaticContact CE1-CD2 3.67Å; H599-Y611 AromaticContact CE1-CE2 3.23Å; H599-Y611 WeakPolarHBondContact CE1-CE2 3.25Å; H599-Y611 AromaticContact NE2-CE2 3.75Å; H599-F614 HydrophobicContact CB-CD1 4.23Å; H599-F614 HydrophobicContact CB-CE1 3.85Å; H599-F614 HydrophobicContact CB-CZ 4.32Å; H599-F653 HydrophobicContact CB-CD1 4.2Å; H599-F653 HydrophobicContact CB-CD2 4.28Å; H599-F653 HydrophobicContact CB-CE1 4.3Å; H599-F653 HydrophobicContact CB-CE2 4.39Å; H599-F653 HydrophobicContact CB-CG 4.2Å; H599-F653 HydrophobicContact CB-CZ 4.41Å; H599-F653 AromaticContact CD2-CD1 3.61Å; H599-F653 AromaticContact CD2-CG 3.79Å; H599-F653 AromaticContact CG-CD1 3.87Å; H599-F653 AromaticContact CG-CG 3.74Å |
| 600 | K | 94.7 | Very high | 92.9 | Very high | 114 Ų | 114 | 43.8 Ų | 43.8 | 50% | 0.496 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 175.9 | -74.5 | 173.1 | -176.6 | 166.7 | 0 | 112.7 | E596 I597 L598 K604 | E596-K600 WeakPolarHBondContact O-CG 3.29Å; E596-K600 PolarHBondContact O-N 3.13Å; E596-K600 VanDerWaalsContact OE1-CE 3.3Å; E596-K600 WeakPolarHBondContact OE1-CE 3.22Å; E596-K600 IonicContact OE1-NZ 3.5Å; E596-K600 PolarHBondContact OE1-NZ 3.49Å; I597-K600 PolarHBondContact O-N 3.06Å; L598-K600 PolarHBondContact O-N 3.48Å; K600-K604 VanDerWaalsContact O-CB 3.28Å; K600-K604 WeakPolarHBondContact O-CB 3.1Å; K600-K604 PolarHBondContact O-N 3.33Å |
| 601 | V | 95.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 9% | 0.085 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | G543 W546 F554 I597 L598 H599 K604 S605 I608 | G543-V601 WeakPolarHBondContact O-CG1 3.4Å; W546-V601 HydrophobicContact CB-CG1 3.86Å; W546-V601 HydrophobicContact CE3-CG2 4.31Å; F554-V601 HydrophobicContact CE2-CG1 4.13Å; I597-V601 WeakPolarHBondContact O-CG2 3.44Å; I597-V601 PolarHBondContact O-N 2.83Å; L598-V601 WeakPolarHBondContact O-CB 3.3Å; L598-V601 PolarHBondContact O-N 3.33Å; L598-V601 VanDerWaalsContact O-N 3.13Å; H599-V601 VanDerWaalsContact C-N 3.29Å; H599-V601 PolarHBondContact O-N 3.08Å; V601-K604 PolarHBondContact O-N 3.48Å; V601-S605 WeakPolarHBondContact O-CB 3.46Å; V601-S605 PolarHBondContact O-N 3.42Å; V601-S605 VanDerWaalsContact O-N 3.17Å; V601-S605 PolarHBondContact O-OG 3.12Å; V601-I608 HydrophobicContact CG1-CD1 4.2Å |
| 602 | N | 94.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 177.3 | -167.2 | 59.2 | 0 | 0 | 0 | 111.7 | F554 L598 H599 S605 S607 I608 I609 F614 | F554-N602 HydrophobicContact CE1-CB 3.93Å; F554-N602 HydrophobicContact CZ-CB 4.03Å; L598-N602 PolarHBondContact O-N 3.34Å; H599-N602 WeakPolarHBondContact O-CB 3.42Å; H599-N602 PolarHBondContact O-N 2.97Å; H599-N602 VanDerWaalsContact O-N 3.12Å; N602-S605 PolarHBondContact O-N 3.15Å; N602-S607 WeakPolarHBondContact O-CA 3.44Å; N602-S607 PolarHBondContact O-N 2.88Å; N602-I608 WeakPolarHBondContact OD1-CA 3.29Å; N602-I608 VanDerWaalsContact OD1-CB 3.31Å; N602-I608 WeakPolarHBondContact OD1-CB 3.33Å; N602-I608 PolarHBondContact OD1-N 3.13Å; N602-I609 PolarHBondContact ND2-O 3.05Å; N602-I609 PolarHBondContact OD1-N 3.36Å; N602-I609 PolarHBondContact OD1-O 3.42Å; N602-F614 HydrophobicContact CB-CE2 4.05Å; N602-F614 HydrophobicContact CB-CZ 4Å |
| 603 | E | 89.5 | Confident | 91.9 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 179 | -71.6 | -168.6 | 127.3 | 0 | 0 | 112.1 | H599 S605 G606 R817 | H599-E603 IonicContact CD2-OE2 3.5Å; H599-E603 IonicContact CE1-OE1 3.71Å; H599-E603 IonicContact NE2-OE1 2.76Å; H599-E603 IonicContact NE2-OE2 3.6Å; H599-E603 PolarHBondContact O-N 2.96Å; E603-S605 PolarHBondContact O-N 2.81Å; E603-G606 PolarHBondContact O-N 3.2Å; E603-R817 IonicContact OE1-NH1 3.72Å |
| 604 | K | 88.8 | Confident | 91.8 | Very high | 149 Ų | 149 | 46.5 Ų | 46.5 | 65% | 0.648 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.6 | -25.9 | 179.7 | -173.5 | -177.4 | 172.3 | -159.1 | 0 | 112.9 | K600 V601 | K600-K604 VanDerWaalsContact O-CB 3.28Å; K600-K604 WeakPolarHBondContact O-CB 3.1Å; K600-K604 PolarHBondContact O-N 3.33Å; V601-K604 PolarHBondContact O-N 3.48Å |
| 605 | S | 85.9 | Confident | 91.6 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 6.6 | -174.6 | -45.8 | 0 | 0 | 0 | 0 | 113.4 | S547 V601 N602 E603 | S547-S605 WeakPolarHBondContact CB-OG 3.39Å; V601-S605 WeakPolarHBondContact O-CB 3.46Å; V601-S605 PolarHBondContact O-N 3.42Å; V601-S605 VanDerWaalsContact O-N 3.17Å; V601-S605 PolarHBondContact O-OG 3.12Å; N602-S605 PolarHBondContact O-N 3.15Å; E603-S605 PolarHBondContact O-N 2.81Å |
| 606 | G | 78.4 | Confident | 91.4 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 66% | 0.66 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 29.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | E603 | E603-G606 PolarHBondContact O-N 3.2Š|
| 607 | S | 82.9 | Confident | 91 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | trans | 70.1 | 82.2 | -178.9 | -49.5 | 0 | 0 | 0 | 0 | 114.5 | N602 I609 | N602-S607 WeakPolarHBondContact O-CA 3.44Å; N602-S607 PolarHBondContact O-N 2.88Å; S607-I609 PolarHBondContact O-N 3.13Å | ||
| 608 | I | 90.2 | Very high | 90.6 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.138 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -56.7 | -42.7 | 169.9 | -49.4 | 168.5 | 0 | 0 | 0 | 110.2 | F554 V601 N602 | F554-I608 HydrophobicContact CB-CG2 3.97Å; F554-I608 HydrophobicContact CD1-CB 4.23Å; F554-I608 HydrophobicContact CD1-CD1 4.35Å; F554-I608 HydrophobicContact CD1-CG2 4.23Å; F554-I608 HydrophobicContact CD2-CD1 3.85Å; F554-I608 HydrophobicContact CE1-CD1 4.31Å; F554-I608 HydrophobicContact CE2-CD1 3.81Å; F554-I608 HydrophobicContact CG-CB 4.43Å; F554-I608 HydrophobicContact CG-CD1 4.13Å; F554-I608 HydrophobicContact CG-CG2 4.05Å; F554-I608 HydrophobicContact CZ-CD1 4.04Å; V601-I608 HydrophobicContact CG1-CD1 4.2Å; N602-I608 WeakPolarHBondContact OD1-CA 3.29Å; N602-I608 VanDerWaalsContact OD1-CB 3.31Å; N602-I608 WeakPolarHBondContact OD1-CB 3.33Å; N602-I608 PolarHBondContact OD1-N 3.13Å |
| 609 | I | 93.6 | Very high | 90.2 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.051 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -125.4 | 156.1 | 171 | 66.3 | 174.5 | 0 | 0 | 0 | 109.5 | P551 F554 Q555 V558 N602 S607 K613 F614 | P551-I609 HydrophobicContact CB-CG2 4.27Å; F554-I609 HydrophobicContact CD1-CD1 3.89Å; F554-I609 HydrophobicContact CD1-CG1 3.94Å; F554-I609 HydrophobicContact CD1-CG2 4Å; F554-I609 HydrophobicContact CE1-CD1 4.07Å; F554-I609 HydrophobicContact CE1-CG1 4.06Å; Q555-I609 HydrophobicContact CB-CG2 4.05Å; Q555-I609 HydrophobicContact CG-CD1 4.47Å; V558-I609 HydrophobicContact CB-CD1 4.27Å; V558-I609 HydrophobicContact CG1-CD1 4.37Å; V558-I609 HydrophobicContact CG2-CD1 4Å; N602-I609 PolarHBondContact ND2-O 3.05Å; N602-I609 PolarHBondContact OD1-N 3.36Å; N602-I609 PolarHBondContact OD1-O 3.42Å; S607-I609 PolarHBondContact O-N 3.13Å; I609-K613 HydrophobicContact CD1-CB 3.9Å; I609-K613 HydrophobicContact CG1-CB 4.44Å; I609-F614 HydrophobicContact CD1-CD2 4.23Å; I609-F614 HydrophobicContact CD1-CE2 3.66Å; I609-F614 HydrophobicContact CD1-CZ 4.15Å; I609-F614 HydrophobicContact CG1-CD2 4.45Å; I609-F614 HydrophobicContact CG1-CE2 3.74Å; I609-F614 HydrophobicContact CG1-CZ 4.47Å |
| 610 | Q | 88.8 | Confident | 89.6 | Confident | 129 Ų | 129 | 58.2 Ų | 58.2 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | trans | -62.5 | 147 | 176.9 | -63.7 | -179.3 | -37.4 | 0 | 0 | 111.3 | D612 K613 | Q610-D612 VanDerWaalsContact C-N 3.27Å; Q610-D612 WeakPolarHBondContact CB-OD1 3.4Å; Q610-D612 PolarHBondContact O-N 2.95Å; Q610-K613 HydrophobicContact CB-CG 4.36Å; Q610-K613 WeakPolarHBondContact O-CB 3.38Å; Q610-K613 PolarHBondContact O-N 3.27Å; Q610-K613 VanDerWaalsContact O-N 3.14Å | ||
| 611 | Y | 87 | Confident | 89.2 | Confident | 38 Ų | 38 | 56 Ų | 56 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -61.3 | -34.4 | -175.1 | -173.9 | -89.6 | 0 | 0 | 0 | 113 | H599 K613 F614 Y615 F653 Q923 | H599-Y611 AromaticContact CE1-CD2 3.67Å; H599-Y611 AromaticContact CE1-CE2 3.23Å; H599-Y611 WeakPolarHBondContact CE1-CE2 3.25Å; H599-Y611 AromaticContact NE2-CE2 3.75Å; Y611-K613 PolarHBondContact O-N 3.13Å; Y611-F614 WeakPolarHBondContact O-CB 3.3Å; Y611-F614 PolarHBondContact O-N 3.17Å; Y611-F614 VanDerWaalsContact O-N 3.08Å; Y611-Y615 AromaticContact CD1-CE1 3.76Å; Y611-Y615 HydrophobicContact CD1-CE1 3.76Å; Y611-Y615 AromaticContact CD1-CZ 3.86Å; Y611-Y615 AromaticContact CE1-CE1 3.58Å; Y611-Y615 HydrophobicContact CE1-CE1 3.58Å; Y611-F653 HydrophobicContact CE2-CB 4.22Å; Y611-F653 VanDerWaalsContact OH-CA 3.24Å; Y611-F653 WeakPolarHBondContact OH-CA 3.36Å; Y611-F653 WeakPolarHBondContact OH-CB 3.23Å; Y611-Q923 HydrophobicContact CD1-CG 3.9Å; Y611-Q923 HydrophobicContact CD2-CG 4.17Å; Y611-Q923 HydrophobicContact CE1-CG 3.33Å; Y611-Q923 VanDerWaalsContact CE2-CD 3.41Å; Y611-Q923 HydrophobicContact CE2-CG 3.66Å; Y611-Q923 HydrophobicContact CG-CG 4.29Å; Y611-Q923 VanDerWaalsContact CZ-CD 3.48Å; Y611-Q923 WeakPolarHBondContact OH-CG 3.5Å; Y611-Q923 PolarHBondContact OH-NE2 2.83Å |
| 612 | D | 87.7 | Confident | 88.8 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 31% | 0.31 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -60.4 | -24.5 | 178 | 68.1 | -49.5 | 0 | 0 | 0 | 113.2 | Q610 F614 Y615 | Q610-D612 VanDerWaalsContact C-N 3.27Å; Q610-D612 WeakPolarHBondContact CB-OD1 3.4Å; Q610-D612 PolarHBondContact O-N 2.95Å; D612-F614 PolarHBondContact O-N 3.4Å; D612-Y615 VanDerWaalsContact CA-CE2 3.43Å; D612-Y615 HydrophobicContact CB-CD2 3.83Å; D612-Y615 HydrophobicContact CB-CE2 3.64Å; D612-Y615 WeakPolarHBondContact O-CB 3.34Å; D612-Y615 VanDerWaalsContact O-CD2 3.31Å; D612-Y615 WeakPolarHBondContact O-CD2 3.39Å; D612-Y615 PolarHBondContact O-N 3.49Å; D612-Y615 VanDerWaalsContact O-N 3.07Å |
| 613 | K | 92.9 | Very high | 88.5 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 30% | 0.296 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -66.8 | -17.4 | 177.2 | -56.6 | -52.3 | 176 | -143.8 | 0 | 113.3 | K562 I609 Q610 Y611 | K562-K613 WeakPolarHBondContact CD-O 3.29Å; K562-K613 PolarHBondContact NZ-O 3.41Å; I609-K613 HydrophobicContact CD1-CB 3.9Å; I609-K613 HydrophobicContact CG1-CB 4.44Å; Q610-K613 HydrophobicContact CB-CG 4.36Å; Q610-K613 WeakPolarHBondContact O-CB 3.38Å; Q610-K613 PolarHBondContact O-N 3.27Å; Q610-K613 VanDerWaalsContact O-N 3.14Å; Y611-K613 PolarHBondContact O-N 3.13Å |
| 614 | F | 94.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -82.7 | -11.7 | 174 | -75.9 | -92.7 | 0 | 0 | 0 | 113.8 | F554 V558 L598 H599 N602 I609 Y611 D612 F653 | F554-F614 HydrophobicContact CE1-CZ 4.03Å; V558-F614 HydrophobicContact CG1-CD1 3.84Å; V558-F614 HydrophobicContact CG1-CE1 3.87Å; V558-F614 HydrophobicContact CG1-CG 4.29Å; V558-F614 HydrophobicContact CG1-CZ 4.32Å; V558-F614 HydrophobicContact CG2-CE1 3.76Å; V558-F614 HydrophobicContact CG2-CZ 3.78Å; L598-F614 HydrophobicContact CB-CE1 4.41Å; H599-F614 HydrophobicContact CB-CD1 4.23Å; H599-F614 HydrophobicContact CB-CE1 3.85Å; H599-F614 HydrophobicContact CB-CZ 4.32Å; N602-F614 HydrophobicContact CB-CE2 4.05Å; N602-F614 HydrophobicContact CB-CZ 4Å; I609-F614 HydrophobicContact CD1-CD2 4.23Å; I609-F614 HydrophobicContact CD1-CE2 3.66Å; I609-F614 HydrophobicContact CD1-CZ 4.15Å; I609-F614 HydrophobicContact CG1-CD2 4.45Å; I609-F614 HydrophobicContact CG1-CE2 3.74Å; I609-F614 HydrophobicContact CG1-CZ 4.47Å; Y611-F614 WeakPolarHBondContact O-CB 3.3Å; Y611-F614 PolarHBondContact O-N 3.17Å; Y611-F614 VanDerWaalsContact O-N 3.08Å; D612-F614 PolarHBondContact O-N 3.4Å; F614-F653 CarbonylContact C-O 3.53Å; F614-F653 HydrophobicContact CB-CD2 4.08Å; F614-F653 AromaticContact CD1-CD2 3.94Å; F614-F653 HydrophobicContact CD1-CD2 3.94Å; F614-F653 HydrophobicContact CD1-CE2 4.24Å; F614-F653 HydrophobicContact CG-CD2 4.36Å |
| 615 | Y | 93.8 | Very high | 88.3 | Confident | 28 Ų | 28 | 52 Ų | 52 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | trans | -66.6 | 141.7 | 179.3 | -59.7 | -27.4 | 0 | 0 | 0 | 112.3 | K562 Y611 D612 F655 D656 E926 | K562-Y615 WeakPolarHBondContact CE-O 3.44Å; Y611-Y615 AromaticContact CD1-CE1 3.76Å; Y611-Y615 HydrophobicContact CD1-CE1 3.76Å; Y611-Y615 AromaticContact CD1-CZ 3.86Å; Y611-Y615 AromaticContact CE1-CE1 3.58Å; Y611-Y615 HydrophobicContact CE1-CE1 3.58Å; D612-Y615 VanDerWaalsContact CA-CE2 3.43Å; D612-Y615 HydrophobicContact CB-CD2 3.83Å; D612-Y615 HydrophobicContact CB-CE2 3.64Å; D612-Y615 WeakPolarHBondContact O-CB 3.34Å; D612-Y615 VanDerWaalsContact O-CD2 3.31Å; D612-Y615 WeakPolarHBondContact O-CD2 3.39Å; D612-Y615 PolarHBondContact O-N 3.49Å; D612-Y615 VanDerWaalsContact O-N 3.07Å; Y615-F655 WeakPolarHBondContact CD1-O 3.36Å; Y615-F655 WeakPolarHBondContact CE1-O 3.31Å; Y615-D656 HydrophobicContact CD1-CB 4.49Å; Y615-D656 HydrophobicContact CD2-CB 3.94Å; Y615-D656 HydrophobicContact CE2-CB 4.49Å; Y615-D656 HydrophobicContact CG-CB 3.95Å; Y615-E926 PolarHBondContact OH-OE1 2.66Å | ||
| 616 | I | 93.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | trans | -111.7 | 97.4 | 170.7 | -56.3 | 176.6 | 0 | 0 | 0 | 107.3 | K562 V565 V566 E618 L619 V654 | K562-I616 HydrophobicContact CB-CG1 4.29Å; K562-I616 HydrophobicContact CG-CD1 4.34Å; K562-I616 HydrophobicContact CG-CG1 3.98Å; V565-I616 HydrophobicContact CB-CD1 4.09Å; V565-I616 HydrophobicContact CG1-CD1 3.76Å; V566-I616 HydrophobicContact CG2-CG2 3.47Å; V566-I616 VanDerWaalsContact CG2-CG2 3.47Å; I616-E618 PolarHBondContact O-N 3.22Å; I616-L619 HydrophobicContact CB-CD1 3.89Å; I616-L619 HydrophobicContact CB-CD2 4.45Å; I616-L619 HydrophobicContact CB-CG 3.77Å; I616-L619 HydrophobicContact CG2-CD1 4.46Å; I616-L619 HydrophobicContact CG2-CD2 4.2Å; I616-L619 HydrophobicContact CG2-CG 3.79Å; I616-L619 WeakPolarHBondContact O-CB 3.42Å; I616-L619 VanDerWaalsContact O-CG 3.26Å; I616-L619 WeakPolarHBondContact O-CG 3.43Å; I616-L619 PolarHBondContact O-N 3.17Å; I616-V654 HydrophobicContact CD1-CB 4.08Å; I616-V654 HydrophobicContact CD1-CG1 4.23Å; I616-V654 HydrophobicContact CG1-CB 4.27Å; I616-V654 PolarHBondContact N-O 2.92Å | ||
| 617 | H | 88.7 | Confident | 88.7 | Confident | 120 Ų | 120 | 58.2 Ų | 58.2 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -22.6 | -173.9 | -64.2 | -58.1 | 0 | 0 | 0 | 113.1 | L619 D656 | H617-L619 PolarHBondContact O-N 3.17Å; H617-D656 IonicContact ND1-OD2 2.57Å; H617-D656 PolarHBondContact ND1-OD2 3.43Å; H617-D656 VanDerWaalsContact ND1-OD2 3.14Å |
| 618 | E | 89.4 | Confident | 88.9 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.3 | 179.4 | -59.3 | 87.5 | 162 | 0 | 0 | 113.6 | V566 I616 D620 A621 L622 | V566-E618 HydrophobicContact CG2-CB 4.49Å; I616-E618 PolarHBondContact O-N 3.22Å; E618-D620 PolarHBondContact O-N 3.27Å; E618-A621 PolarHBondContact O-N 3.33Å; E618-A621 VanDerWaalsContact O-N 3.16Å; E618-L622 HydrophobicContact CB-CD1 3.87Å; E618-L622 HydrophobicContact CB-CG 4.42Å; E618-L622 VanDerWaalsContact O-CG 3.27Å; E618-L622 WeakPolarHBondContact O-CG 3.33Å; E618-L622 PolarHBondContact O-N 3Å |
| 619 | L | 88.4 | Confident | 88.8 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.7 | -44.5 | -174.6 | -74.9 | 174.4 | 0 | 0 | 0 | 113.2 | L569 I616 H617 A621 L622 I623 L648 V654 F655 | L569-L619 HydrophobicContact CD1-CD2 3.49Å; L569-L619 VanDerWaalsContact CD1-CD2 3.49Å; I616-L619 HydrophobicContact CB-CD1 3.89Å; I616-L619 HydrophobicContact CB-CD2 4.45Å; I616-L619 HydrophobicContact CB-CG 3.77Å; I616-L619 HydrophobicContact CG2-CD1 4.46Å; I616-L619 HydrophobicContact CG2-CD2 4.2Å; I616-L619 HydrophobicContact CG2-CG 3.79Å; I616-L619 WeakPolarHBondContact O-CB 3.42Å; I616-L619 VanDerWaalsContact O-CG 3.26Å; I616-L619 WeakPolarHBondContact O-CG 3.43Å; I616-L619 PolarHBondContact O-N 3.17Å; H617-L619 PolarHBondContact O-N 3.17Å; L619-A621 PolarHBondContact O-N 3.36Å; L619-L622 PolarHBondContact O-N 2.89Å; L619-I623 HydrophobicContact CD2-CD1 4.15Å; L619-I623 PolarHBondContact O-N 2.75Å; L619-L648 HydrophobicContact CD2-CD2 4.07Å; L619-V654 HydrophobicContact CD1-CB 4.26Å; L619-V654 HydrophobicContact CD1-CG2 3.79Å; L619-V654 WeakPolarHBondContact CD1-O 3.06Å; L619-F655 HydrophobicContact CD1-CD1 3.93Å; L619-F655 HydrophobicContact CD1-CE1 4.23Å |
| 620 | D | 82.9 | Confident | 88.4 | Confident | 91 Ų | 91 | 55.7 Ų | 55.7 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -30.8 | -178.8 | -169 | 52.7 | 0 | 0 | 0 | 112.3 | E618 I625 | E618-D620 PolarHBondContact O-N 3.27Å; D620-I625 HydrophobicContact CB-CD1 3.93Å |
| 621 | A | 86.5 | Confident | 88.3 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 55% | 0.554 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -83 | -21 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K573 E618 L619 | K573-A621 PolarHBondContact NZ-O 3.1Å; E618-A621 PolarHBondContact O-N 3.33Å; E618-A621 VanDerWaalsContact O-N 3.16Å; L619-A621 PolarHBondContact O-N 3.36Å |
| 622 | L | 87.3 | Confident | 88.3 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -101.9 | -27.4 | -171.7 | -66.7 | 175.5 | 0 | 0 | 0 | 113.4 | V566 L569 Q570 K573 E618 L619 | V566-L622 HydrophobicContact CG1-CD1 4.11Å; L569-L622 HydrophobicContact CB-CB 4.25Å; L569-L622 HydrophobicContact CB-CD1 3.97Å; Q570-L622 HydrophobicContact CG-CD1 4.24Å; Q570-L622 HydrophobicContact CG-CD2 3.77Å; K573-L622 HydrophobicContact CD-CD2 4.13Å; E618-L622 HydrophobicContact CB-CD1 3.87Å; E618-L622 HydrophobicContact CB-CG 4.42Å; E618-L622 VanDerWaalsContact O-CG 3.27Å; E618-L622 WeakPolarHBondContact O-CG 3.33Å; E618-L622 PolarHBondContact O-N 3Å; L619-L622 PolarHBondContact O-N 2.89Å |
| 623 | I | 86.6 | Confident | 88.1 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 19% | 0.185 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -138.1 | 144.9 | -172.6 | -53.4 | 175.7 | 0 | 0 | 0 | 110.2 | L569 L619 I625 L648 | L569-I623 HydrophobicContact CD1-CD1 3.66Å; L569-I623 HydrophobicContact CD1-CG1 4.35Å; L569-I623 HydrophobicContact CD2-CD1 3.43Å; L569-I623 VanDerWaalsContact CD2-CD1 3.43Å; L569-I623 HydrophobicContact CD2-CG1 4.08Å; L569-I623 HydrophobicContact CG-CD1 4.06Å; L619-I623 HydrophobicContact CD2-CD1 4.15Å; L619-I623 PolarHBondContact O-N 2.75Å; I623-I625 PolarHBondContact O-N 2.73Å; I623-L648 HydrophobicContact CD1-CD1 3.08Å; I623-L648 HydrophobicContact CD1-CG 4.46Å |
| 624 | D | 86.6 | Confident | 87.6 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | trans | -74 | 92.7 | 164.3 | -173.5 | -15.8 | 0 | 0 | 0 | 110.3 | R626 N627 D628 | D624-R626 PolarHBondContact O-N 2.97Å; D624-R626 WeakPolarHBondContact OD1-CB 3.43Å; D624-R626 PolarHBondContact OD1-N 2.95Å; D624-N627 HydrophobicContact CB-CB 4.01Å; D624-N627 PolarHBondContact O-N 3.19Å; D624-N627 PolarHBondContact OD1-N 3.35Å; D624-N627 VanDerWaalsContact OD1-N 3.1Å; D624-D628 PolarHBondContact O-N 2.96Å | ||
| 625 | I | 87.6 | Confident | 86.8 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.7 | -34.8 | 179.7 | -63.3 | 172.3 | 0 | 0 | 0 | 111.3 | D620 I623 D628 Y629 F655 A659 L663 | D620-I625 HydrophobicContact CB-CD1 3.93Å; I623-I625 PolarHBondContact O-N 2.73Å; I625-D628 PolarHBondContact O-N 3.15Å; I625-Y629 PolarHBondContact O-N 3.47Å; I625-Y629 VanDerWaalsContact O-N 3.15Å; I625-F655 HydrophobicContact CG2-CE1 4.29Å; I625-A659 HydrophobicContact CD1-CB 3.72Å; I625-L663 HydrophobicContact CG2-CD1 4.4Å; I625-L663 HydrophobicContact CG2-CD2 3.38Å; I625-L663 HydrophobicContact CG2-CG 3.68Å |
| 626 | R | 86.8 | Confident | 85.8 | Confident | 148 Ų | 148 | 57.3 Ų | 57.3 | 56% | 0.558 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.2 | -43.2 | -178.9 | -53.1 | -172.5 | -177.3 | 176.5 | -1.4 | 110.6 | D624 Y629 V630 T666 | D624-R626 PolarHBondContact O-N 2.97Å; D624-R626 WeakPolarHBondContact OD1-CB 3.43Å; D624-R626 PolarHBondContact OD1-N 2.95Å; R626-Y629 WeakPolarHBondContact O-CB 3.17Å; R626-Y629 PolarHBondContact O-N 3.11Å; R626-V630 WeakPolarHBondContact O-CG2 3.26Å; R626-V630 PolarHBondContact O-N 3.25Å; R626-V630 VanDerWaalsContact O-N 3.13Å; R626-T666 HydrophobicContact CB-CG2 4.05Å; R626-T666 WeakPolarHBondContact CG-OG1 3.47Å |
| 627 | N | 86.9 | Confident | 84.7 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70 | -35.5 | 177.7 | -171.8 | 54 | 0 | 0 | 0 | 112.7 | D624 Y629 V630 T631 | D624-N627 HydrophobicContact CB-CB 4.01Å; D624-N627 PolarHBondContact O-N 3.19Å; D624-N627 PolarHBondContact OD1-N 3.35Å; D624-N627 VanDerWaalsContact OD1-N 3.1Å; N627-Y629 VanDerWaalsContact C-N 3.3Å; N627-Y629 PolarHBondContact O-N 3.36Å; N627-V630 PolarHBondContact O-N 2.87Å; N627-T631 WeakPolarHBondContact O-CB 3.49Å; N627-T631 PolarHBondContact O-N 3.01Å; N627-T631 PolarHBondContact O-OG1 3.23Å |
| 628 | D | 86.9 | Confident | 83.9 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 173.1 | -172 | 70.7 | 0 | 0 | 0 | 111.2 | D624 I625 T631 W632 T647 L648 C649 | D624-D628 PolarHBondContact O-N 2.96Å; I625-D628 PolarHBondContact O-N 3.15Å; D628-T631 PolarHBondContact O-N 2.83Å; D628-W632 WeakPolarHBondContact O-CB 3.4Å; D628-W632 PolarHBondContact O-N 2.95Å; D628-T647 VanDerWaalsContact OD1-CA 3.27Å; D628-T647 WeakPolarHBondContact OD1-CA 3.42Å; D628-L648 PolarHBondContact OD1-N 2.98Å; D628-L648 PolarHBondContact OD2-N 3.47Å; D628-C649 PolarHBondContact OD2-N 2.71Å; D628-C649 PolarHBondContact OD2-SG 2.98Å |
| 629 | Y | 87.7 | Confident | 82.6 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 176.9 | -173.6 | -112.5 | 0 | 0 | 0 | 113.5 | I625 R626 N627 T631 W632 I633 L663 T666 D667 V918 L921 | I625-Y629 PolarHBondContact O-N 3.47Å; I625-Y629 VanDerWaalsContact O-N 3.15Å; R626-Y629 WeakPolarHBondContact O-CB 3.17Å; R626-Y629 PolarHBondContact O-N 3.11Å; N627-Y629 VanDerWaalsContact C-N 3.3Å; N627-Y629 PolarHBondContact O-N 3.36Å; Y629-T631 VanDerWaalsContact C-N 3.28Å; Y629-T631 PolarHBondContact O-N 2.89Å; Y629-W632 HydrophobicContact CD2-CE3 4.04Å; Y629-W632 HydrophobicContact CD2-CZ3 4.44Å; Y629-W632 AromaticContact CE2-CE3 3.86Å; Y629-W632 HydrophobicContact CE2-CE3 3.86Å; Y629-W632 AromaticContact CE2-CZ3 3.84Å; Y629-W632 HydrophobicContact CE2-CZ3 3.84Å; Y629-W632 WeakPolarHBondContact O-CB 3.4Å; Y629-W632 PolarHBondContact O-N 3.37Å; Y629-W632 VanDerWaalsContact O-N 3.14Å; Y629-I633 HydrophobicContact CD1-CD1 3.82Å; Y629-I633 HydrophobicContact CE1-CD1 3.14Å; Y629-I633 HydrophobicContact CE1-CG1 4.18Å; Y629-I633 HydrophobicContact CE2-CD1 4.07Å; Y629-I633 HydrophobicContact CE2-CG1 4.29Å; Y629-I633 HydrophobicContact CG-CD1 4.5Å; Y629-I633 PolarHBondContact O-N 3.09Å; Y629-I633 WeakPolarHBondContact OH-CD1 3.43Å; Y629-L663 VanDerWaalsContact CB-CD2 3.49Å; Y629-L663 HydrophobicContact CD2-CD2 3.84Å; Y629-L663 HydrophobicContact CG-CD2 3.81Å; Y629-T666 HydrophobicContact CD1-CG2 4.18Å; Y629-D667 HydrophobicContact CE1-CB 3.6Å; Y629-D667 WeakPolarHBondContact OH-CB 3.5Å; Y629-D667 VanDerWaalsContact OH-CG 3.26Å; Y629-D667 PolarHBondContact OH-OD1 3.41Å; Y629-D667 VanDerWaalsContact OH-OD1 3.06Å; Y629-V918 HydrophobicContact CE2-CB 4.45Å; Y629-V918 HydrophobicContact CE2-CG2 4.09Å; Y629-V918 VanDerWaalsContact OH-CB 3.31Å; Y629-V918 WeakPolarHBondContact OH-CB 3.48Å; Y629-L921 HydrophobicContact CE2-CD1 4.19Å |
| 630 | V | 85.8 | Confident | 80.6 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 24% | 0.242 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | R626 N627 W632 I633 Q634 I670 | R626-V630 WeakPolarHBondContact O-CG2 3.26Å; R626-V630 PolarHBondContact O-N 3.25Å; R626-V630 VanDerWaalsContact O-N 3.13Å; N627-V630 PolarHBondContact O-N 2.87Å; V630-W632 VanDerWaalsContact C-N 3.31Å; V630-W632 PolarHBondContact O-N 2.9Å; V630-I633 PolarHBondContact O-N 3.48Å; V630-Q634 HydrophobicContact CG1-CG 4.33Å; V630-Q634 WeakPolarHBondContact O-CB 3.31Å; V630-Q634 VanDerWaalsContact O-CG 3.26Å; V630-Q634 WeakPolarHBondContact O-CG 3.35Å; V630-Q634 PolarHBondContact O-N 3.47Å; V630-I670 HydrophobicContact CG2-CD1 3.72Å |
| 631 | T | 85.9 | Confident | 78.9 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 22% | 0.221 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 177.5 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | N627 D628 Y629 R635 T647 | N627-T631 WeakPolarHBondContact O-CB 3.49Å; N627-T631 PolarHBondContact O-N 3.01Å; N627-T631 PolarHBondContact O-OG1 3.23Å; D628-T631 PolarHBondContact O-N 2.83Å; Y629-T631 VanDerWaalsContact C-N 3.28Å; Y629-T631 PolarHBondContact O-N 2.89Å; T631-R635 WeakPolarHBondContact O-CG 3.47Å; T631-R635 PolarHBondContact O-N 2.96Å; T631-T647 HydrophobicContact CG2-CG2 4.09Å |
| 632 | W | 87 | Confident | 77.1 | Confident | 26 Ų | 26 | 81.3 Ų | 81.3 | 10% | 0.098 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 177.7 | 179.5 | 74 | 0 | 0 | 0 | 112.6 | D628 Y629 V630 Q636 T647 C649 R917 L921 | D628-W632 WeakPolarHBondContact O-CB 3.4Å; D628-W632 PolarHBondContact O-N 2.95Å; Y629-W632 HydrophobicContact CD2-CE3 4.04Å; Y629-W632 HydrophobicContact CD2-CZ3 4.44Å; Y629-W632 AromaticContact CE2-CE3 3.86Å; Y629-W632 HydrophobicContact CE2-CE3 3.86Å; Y629-W632 AromaticContact CE2-CZ3 3.84Å; Y629-W632 HydrophobicContact CE2-CZ3 3.84Å; Y629-W632 WeakPolarHBondContact O-CB 3.4Å; Y629-W632 PolarHBondContact O-N 3.37Å; Y629-W632 VanDerWaalsContact O-N 3.14Å; V630-W632 VanDerWaalsContact C-N 3.31Å; V630-W632 PolarHBondContact O-N 2.9Å; W632-Q636 PolarHBondContact O-N 3.28Å; W632-T647 HydrophobicContact CB-CG2 4.08Å; W632-C649 HydrophobicContact CB-CB 3.9Å; W632-C649 HydrophobicContact CD2-CB 3.78Å; W632-C649 HydrophobicContact CE3-CB 4.17Å; W632-C649 HydrophobicContact CG-CB 3.65Å; W632-R917 HydrophobicContact CH2-CB 3.76Å; W632-R917 HydrophobicContact CZ3-CB 4.16Å; W632-L921 HydrophobicContact CH2-CD2 4.18Å |
| 633 | I | 83.8 | Confident | 75.3 | Confident | 30 Ų | 30 | 88.7 Ų | 88.7 | 15% | 0.154 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63 | -48.4 | 176.5 | -69.6 | 168.1 | 0 | 0 | 0 | 111.2 | Y629 V630 R635 Q636 M637 | Y629-I633 HydrophobicContact CD1-CD1 3.82Å; Y629-I633 HydrophobicContact CE1-CD1 3.14Å; Y629-I633 HydrophobicContact CE1-CG1 4.18Å; Y629-I633 HydrophobicContact CE2-CD1 4.07Å; Y629-I633 HydrophobicContact CE2-CG1 4.29Å; Y629-I633 HydrophobicContact CG-CD1 4.5Å; Y629-I633 PolarHBondContact O-N 3.09Å; Y629-I633 WeakPolarHBondContact OH-CD1 3.43Å; V630-I633 PolarHBondContact O-N 3.48Å; I633-R635 PolarHBondContact O-N 2.9Å; I633-Q636 PolarHBondContact O-N 3.45Å; I633-M637 HydrophobicContact CG2-CE 3.74Å; I633-M637 HydrophobicContact CG2-CG 4.25Å; I633-M637 HydrophobicContact CG2-SD 3.96Å; I633-M637 PolarHBondContact O-N 3.43Å |
| 634 | Q | 82 | Confident | 73.9 | Confident | 112 Ų | 112 | 89.2 Ų | 89.2 | 52% | 0.523 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.4 | -38.9 | -175.8 | -78.4 | 178.6 | -2.7 | 0 | 0 | 111.9 | V630 M637 Y638 | V630-Q634 HydrophobicContact CG1-CG 4.33Å; V630-Q634 WeakPolarHBondContact O-CB 3.31Å; V630-Q634 VanDerWaalsContact O-CG 3.26Å; V630-Q634 WeakPolarHBondContact O-CG 3.35Å; V630-Q634 PolarHBondContact O-N 3.47Å; Q634-M637 PolarHBondContact O-N 3.09Å; Q634-Y638 PolarHBondContact O-N 2.86Å |
| 635 | R | 77.9 | Confident | 73 | Confident | 70 Ų | 70 | 88.7 Ų | 88.7 | 26% | 0.264 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.3 | -34.3 | 176.9 | -78.5 | 175.2 | 162 | 178.8 | -6.8 | 114 | T631 I633 M637 Y638 R642 V645 | T631-R635 WeakPolarHBondContact O-CG 3.47Å; T631-R635 PolarHBondContact O-N 2.96Å; I633-R635 PolarHBondContact O-N 2.9Å; R635-M637 VanDerWaalsContact C-N 3.34Å; R635-Y638 CarbonylContact O-C 3.47Å; R635-Y638 VanDerWaalsContact O-C 3.25Å; R635-R642 PolarHBondContact NH2-O 3.35Å; R635-V645 PolarHBondContact NH1-O 3.06Å; R635-V645 VanDerWaalsContact NH2-CB 3.29Å; R635-V645 PolarHBondContact NH2-O 2.64Å |
| 636 | Q | 73.8 | Confident | 72.6 | Confident | 82 Ų | 82 | 89.5 Ų | 89.5 | 38% | 0.383 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -75.5 | -28.4 | 177.2 | -65.4 | -160.9 | -16.2 | 0 | 0 | 112.1 | W632 I633 R917 | W632-Q636 PolarHBondContact O-N 3.28Å; I633-Q636 PolarHBondContact O-N 3.45Å; Q636-R917 VanDerWaalsContact CD-NH1 3.3Å; Q636-R917 VanDerWaalsContact OE1-CZ 3.3Å |
| 637 | M | 70.9 | Confident | 72.5 | Confident | 111 Ų | 111 | 83 Ų | 83 | 55% | 0.547 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -76.2 | -35 | 171.2 | -69.6 | -176 | 174.7 | 0 | 0 | 112.6 | I633 Q634 R635 | I633-M637 HydrophobicContact CG2-CE 3.74Å; I633-M637 HydrophobicContact CG2-CG 4.25Å; I633-M637 HydrophobicContact CG2-SD 3.96Å; I633-M637 PolarHBondContact O-N 3.43Å; Q634-M637 PolarHBondContact O-N 3.09Å; R635-M637 VanDerWaalsContact C-N 3.34Å |
| 638 | Y | 70.3 | Confident | 72.6 | Confident | 175 Ų | 175 | 78.8 Ų | 78.8 | 69% | 0.686 | 41% | 0.407 | S | S | * | . | trans | -128.7 | 86.6 | -179.4 | -59.3 | -78.3 | 0 | 0 | 0 | 111.6 | Q634 R635 M640 | Q634-Y638 PolarHBondContact O-N 2.86Å; R635-Y638 CarbonylContact O-C 3.47Å; R635-Y638 VanDerWaalsContact O-C 3.25Å; Y638-M640 PolarHBondContact O-N 2.88Å | ||
| 639 | P | 62.8 | Low | 72.6 | Confident | 114 Ų | 114 | 78 Ų | 78 | 74% | 0.74 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -7 | -179.1 | -19.9 | 31.3 | 0 | 0 | 0 | 115 | G641 | P639-G641 PolarHBondContact O-N 3.26Š|
| 640 | M | 47.5 | Very low | 72.7 | Confident | 199 Ų | 199 | 83 Ų | 83 | 98% | 0.98 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 27.1 | -172.2 | -78.6 | -94.5 | 158.8 | 0 | 0 | 114.1 | Y638 | Y638-M640 PolarHBondContact O-N 2.88Š|
| 641 | G | 47 | Very low | 73 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 50% | 0.495 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -130.6 | 124.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P639 | P639-G641 PolarHBondContact O-N 3.26Š|
| 642 | R | 47.8 | Very low | 73.2 | Confident | 234 Ų | 234 | 80.9 Ų | 80.9 | 88% | 0.883 | 41% | 0.413 | S | S | * | . | trans | 15.1 | 98.6 | 173 | -68.4 | -171.9 | -179.5 | -178.6 | 1.7 | 117.2 | R635 G644 | R635-R642 PolarHBondContact NH2-O 3.35Å; R642-G644 PolarHBondContact O-N 2.85Å | ||
| 643 | D | 49.2 | Very low | 73.5 | Confident | 179 Ų | 179 | 80 Ų | 80 | 96% | 0.957 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -54.3 | 115.2 | 157.8 | -77.5 | -37.1 | 0 | 0 | 0 | 110.1 | ||
| 644 | G | 57.7 | Low | 74 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | trans | 154.2 | 4.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | T585 R642 | T585-G644 WeakPolarHBondContact CG2-O 3.41Å; T585-G644 PolarHBondContact OG1-O 3.41Å; T585-G644 VanDerWaalsContact OG1-O 3.1Å; R642-G644 PolarHBondContact O-N 2.85Å | ||
| 645 | V | 68.6 | Low | 74.4 | Confident | 90 Ų | 90 | 73.3 Ų | 73.3 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | trans | -115.9 | 133.2 | 172.1 | -169.8 | 0 | 0 | 0 | 0 | 108.3 | R635 | R635-V645 PolarHBondContact NH1-O 3.06Å; R635-V645 VanDerWaalsContact NH2-CB 3.29Å; R635-V645 PolarHBondContact NH2-O 2.64Å | ||
| 646 | V | 78.6 | Confident | 74.9 | Confident | 23 Ų | 23 | 71 Ų | 71 | 14% | 0.139 | 37% | 0.371 | C | S | . | . | trans | -86.7 | 128.5 | 173.5 | 171.8 | 0 | 0 | 0 | 0 | 107.8 | T585 L588 D589 L592 Y651 | T585-V646 HydrophobicContact CG2-CG2 3.63Å; L588-V646 HydrophobicContact CD2-CB 4.34Å; L588-V646 HydrophobicContact CD2-CG1 4.42Å; L588-V646 HydrophobicContact CG-CG1 4.39Å; D589-V646 HydrophobicContact CB-CG2 3.63Å; L592-V646 HydrophobicContact CD1-CG1 3.81Å; V646-Y651 HydrophobicContact CG1-CE2 4.4Å | ||
| 647 | T | 85.6 | Confident | 75.2 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | trans | -102.2 | 124.8 | 173.3 | 52 | 0 | 0 | 0 | 0 | 109.2 | D628 T631 W632 C649 K650 | D628-T647 VanDerWaalsContact OD1-CA 3.27Å; D628-T647 WeakPolarHBondContact OD1-CA 3.42Å; T631-T647 HydrophobicContact CG2-CG2 4.09Å; W632-T647 HydrophobicContact CB-CG2 4.08Å; T647-C649 PolarHBondContact O-N 3.4Å; T647-K650 VanDerWaalsContact O-CB 3.29Å; T647-K650 WeakPolarHBondContact O-CB 3.05Å; T647-K650 PolarHBondContact O-N 2.85Å; T647-K650 VanDerWaalsContact O-N 3.17Å | ||
| 648 | L | 87.9 | Confident | 75.7 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -67.6 | -24.6 | -179.6 | -75.3 | 125.5 | 0 | 0 | 0 | 112.4 | L592 L619 I623 D628 K650 Y651 V654 F655 | L592-L648 HydrophobicContact CD1-CD2 4.08Å; L592-L648 HydrophobicContact CD1-CG 4.4Å; L592-L648 HydrophobicContact CD2-CD2 4.13Å; L619-L648 HydrophobicContact CD2-CD2 4.07Å; I623-L648 HydrophobicContact CD1-CD1 3.08Å; I623-L648 HydrophobicContact CD1-CG 4.46Å; D628-L648 PolarHBondContact OD1-N 2.98Å; D628-L648 PolarHBondContact OD2-N 3.47Å; L648-K650 PolarHBondContact O-N 2.86Å; L648-Y651 CarbonylContact O-C 3.6Å; L648-Y651 WeakPolarHBondContact O-CA 3.16Å; L648-Y651 PolarHBondContact O-N 3.26Å; L648-V654 HydrophobicContact CD2-CG2 4.04Å; L648-F655 HydrophobicContact CB-CE1 4.27Å; L648-F655 HydrophobicContact CB-CE2 4.18Å; L648-F655 HydrophobicContact CB-CZ 3.52Å; L648-F655 WeakPolarHBondContact O-CE2 3.39Å |
| 649 | C | 87.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -55.7 | -16.7 | 171.9 | -66 | 0 | 0 | 0 | 0 | 114 | D628 W632 T647 Y651 L921 | D628-C649 PolarHBondContact OD2-N 2.71Å; D628-C649 PolarHBondContact OD2-SG 2.98Å; W632-C649 HydrophobicContact CB-CB 3.9Å; W632-C649 HydrophobicContact CD2-CB 3.78Å; W632-C649 HydrophobicContact CE3-CB 4.17Å; W632-C649 HydrophobicContact CG-CB 3.65Å; T647-C649 PolarHBondContact O-N 3.4Å; C649-Y651 PolarHBondContact O-N 3.41Å; C649-L921 WeakPolarHBondContact O-CD2 3.49Å |
| 650 | K | 88.4 | Confident | 77.7 | Confident | 107 Ų | 107 | 54.2 Ų | 54.2 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -69.5 | -19.7 | 169.6 | -177 | -178.2 | 168.9 | -159.1 | 0 | 113.2 | D589 T647 L648 P652 | D589-K650 IonicContact OD1-NZ 2.88Å; T647-K650 VanDerWaalsContact O-CB 3.29Å; T647-K650 WeakPolarHBondContact O-CB 3.05Å; T647-K650 PolarHBondContact O-N 2.85Å; T647-K650 VanDerWaalsContact O-N 3.17Å; L648-K650 PolarHBondContact O-N 2.86Å; K650-P652 WeakPolarHBondContact O-CD 3.13Å |
| 651 | Y | 92.3 | Very high | 79.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | trans | -122.8 | 72.8 | -174.9 | -56.1 | -81.1 | 0 | 0 | 0 | 110.5 | D589 L592 R593 E596 V646 L648 C649 F653 V654 | D589-Y651 PolarHBondContact OD1-OH 3.03Å; L592-Y651 HydrophobicContact CB-CD1 4.14Å; L592-Y651 HydrophobicContact CB-CD2 3.83Å; L592-Y651 HydrophobicContact CB-CE1 4.01Å; L592-Y651 HydrophobicContact CB-CE2 3.7Å; L592-Y651 HydrophobicContact CB-CG 4.06Å; L592-Y651 HydrophobicContact CD1-CD2 3.82Å; L592-Y651 HydrophobicContact CD1-CE2 3.92Å; L592-Y651 HydrophobicContact CD2-CD2 4.42Å; L592-Y651 HydrophobicContact CD2-CG 4.48Å; L592-Y651 HydrophobicContact CG-CD2 4.25Å; L592-Y651 HydrophobicContact CG-CE2 4.4Å; R593-Y651 HydrophobicContact CG-CE1 4.31Å; R593-Y651 VanDerWaalsContact CG-OH 3.25Å; R593-Y651 WeakPolarHBondContact CG-OH 3.37Å; E596-Y651 HydrophobicContact CB-CD1 4.09Å; E596-Y651 HydrophobicContact CB-CE1 4.09Å; E596-Y651 HydrophobicContact CG-CD1 4.41Å; E596-Y651 HydrophobicContact CG-CE1 4.47Å; V646-Y651 HydrophobicContact CG1-CE2 4.4Å; L648-Y651 CarbonylContact O-C 3.6Å; L648-Y651 WeakPolarHBondContact O-CA 3.16Å; L648-Y651 PolarHBondContact O-N 3.26Å; C649-Y651 PolarHBondContact O-N 3.41Å; Y651-F653 HydrophobicContact CD1-CE1 4.01Å; Y651-F653 HydrophobicContact CD1-CZ 4.25Å; Y651-F653 HydrophobicContact CG-CE1 4.46Å; Y651-F653 PolarHBondContact O-N 3.04Å; Y651-V654 WeakPolarHBondContact O-CG2 3.49Å; Y651-V654 PolarHBondContact O-N 3.45Å | ||
| 652 | P | 91.2 | Very high | 81.2 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -64.7 | -21.5 | -167.5 | -20.2 | 32.7 | 0 | 0 | 0 | 114.6 | K650 V654 F655 K660 L921 | K650-P652 WeakPolarHBondContact O-CD 3.13Å; P652-V654 PolarHBondContact O-N 3.38Å; P652-F655 PolarHBondContact O-N 3.2Å; P652-K660 WeakPolarHBondContact O-CE 3.31Å; P652-K660 PolarHBondContact O-NZ 2.9Å; P652-L921 HydrophobicContact CB-CB 4Å; P652-L921 HydrophobicContact CB-CD2 4.04Å; P652-L921 WeakPolarHBondContact CB-O 3.47Å; P652-L921 HydrophobicContact CG-CB 4.39Å; P652-L921 HydrophobicContact CG-CD2 3.55Å |
| 653 | F | 92.4 | Very high | 83.2 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -69.8 | -14.8 | -178 | 65.4 | -96.5 | 0 | 0 | 0 | 114.5 | L595 E596 H599 Y611 F614 Y651 | L595-F653 HydrophobicContact CB-CE2 3.81Å; L595-F653 HydrophobicContact CB-CZ 3.9Å; E596-F653 HydrophobicContact CB-CE1 3.97Å; E596-F653 HydrophobicContact CB-CZ 4.13Å; E596-F653 HydrophobicContact CG-CE1 4.2Å; H599-F653 HydrophobicContact CB-CD1 4.2Å; H599-F653 HydrophobicContact CB-CD2 4.28Å; H599-F653 HydrophobicContact CB-CE1 4.3Å; H599-F653 HydrophobicContact CB-CE2 4.39Å; H599-F653 HydrophobicContact CB-CG 4.2Å; H599-F653 HydrophobicContact CB-CZ 4.41Å; H599-F653 AromaticContact CD2-CD1 3.61Å; H599-F653 AromaticContact CD2-CG 3.79Å; H599-F653 AromaticContact CG-CD1 3.87Å; H599-F653 AromaticContact CG-CG 3.74Å; Y611-F653 HydrophobicContact CE2-CB 4.22Å; Y611-F653 VanDerWaalsContact OH-CA 3.24Å; Y611-F653 WeakPolarHBondContact OH-CA 3.36Å; Y611-F653 WeakPolarHBondContact OH-CB 3.23Å; F614-F653 CarbonylContact C-O 3.53Å; F614-F653 HydrophobicContact CB-CD2 4.08Å; F614-F653 AromaticContact CD1-CD2 3.94Å; F614-F653 HydrophobicContact CD1-CD2 3.94Å; F614-F653 HydrophobicContact CD1-CE2 4.24Å; F614-F653 HydrophobicContact CG-CD2 4.36Å; Y651-F653 HydrophobicContact CD1-CE1 4.01Å; Y651-F653 HydrophobicContact CD1-CZ 4.25Å; Y651-F653 HydrophobicContact CG-CE1 4.46Å; Y651-F653 PolarHBondContact O-N 3.04Å |
| 654 | V | 93.8 | Very high | 85 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -83.2 | -18.4 | 176.9 | -54.7 | 0 | 0 | 0 | 0 | 113 | L592 I616 L619 L648 Y651 P652 | L592-V654 HydrophobicContact CD2-CG1 4.12Å; I616-V654 HydrophobicContact CD1-CB 4.08Å; I616-V654 HydrophobicContact CD1-CG1 4.23Å; I616-V654 HydrophobicContact CG1-CB 4.27Å; I616-V654 PolarHBondContact N-O 2.92Å; L619-V654 HydrophobicContact CD1-CB 4.26Å; L619-V654 HydrophobicContact CD1-CG2 3.79Å; L619-V654 WeakPolarHBondContact CD1-O 3.06Å; L648-V654 HydrophobicContact CD2-CG2 4.04Å; Y651-V654 WeakPolarHBondContact O-CG2 3.49Å; Y651-V654 PolarHBondContact O-N 3.45Å; P652-V654 PolarHBondContact O-N 3.38Å |
| 655 | F | 91.8 | Very high | 86.4 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -84.6 | 133 | -179.5 | -62.2 | -75.7 | 0 | 0 | 0 | 110.7 | Y615 L619 I625 L648 P652 A659 K660 L663 | Y615-F655 WeakPolarHBondContact CD1-O 3.36Å; Y615-F655 WeakPolarHBondContact CE1-O 3.31Å; L619-F655 HydrophobicContact CD1-CD1 3.93Å; L619-F655 HydrophobicContact CD1-CE1 4.23Å; I625-F655 HydrophobicContact CG2-CE1 4.29Å; L648-F655 HydrophobicContact CB-CE1 4.27Å; L648-F655 HydrophobicContact CB-CE2 4.18Å; L648-F655 HydrophobicContact CB-CZ 3.52Å; L648-F655 WeakPolarHBondContact O-CE2 3.39Å; P652-F655 PolarHBondContact O-N 3.2Å; F655-A659 HydrophobicContact CB-CB 3.98Å; F655-A659 HydrophobicContact CD1-CB 3.82Å; F655-A659 HydrophobicContact CG-CB 4.34Å; F655-K660 HydrophobicContact CB-CD 4.4Å; F655-K660 HydrophobicContact CB-CG 3.72Å; F655-K660 VanDerWaalsContact O-CE 3.25Å; F655-K660 WeakPolarHBondContact O-CE 3.23Å; F655-L663 HydrophobicContact CD2-CD1 4.36Å; F655-L663 HydrophobicContact CE2-CD1 4.38Å; F655-L663 HydrophobicContact CG-CD1 4.44Å; F655-L663 HydrophobicContact CZ-CD1 4.45Å |
| 656 | D | 87.7 | Confident | 87.2 | Confident | 23 Ų | 23 | 20.7 Ų | 20.7 | 12% | 0.123 | 11% | 0.11 | C | C | . | . | trans | -73.8 | 173.8 | 167.7 | 64.5 | 21 | 0 | 0 | 0 | 112 | Y615 H617 Q658 A659 K660 | Y615-D656 HydrophobicContact CD1-CB 4.49Å; Y615-D656 HydrophobicContact CD2-CB 3.94Å; Y615-D656 HydrophobicContact CE2-CB 4.49Å; Y615-D656 HydrophobicContact CG-CB 3.95Å; H617-D656 IonicContact ND1-OD2 2.57Å; H617-D656 PolarHBondContact ND1-OD2 3.43Å; H617-D656 VanDerWaalsContact ND1-OD2 3.14Å; D656-Q658 PolarHBondContact O-N 3.17Å; D656-Q658 PolarHBondContact OD1-N 2.93Å; D656-A659 PolarHBondContact O-N 2.92Å; D656-A659 VanDerWaalsContact OD1-CB 3.29Å; D656-A659 WeakPolarHBondContact OD1-CB 3.47Å; D656-A659 PolarHBondContact OD1-N 3.01Å; D656-K660 WeakPolarHBondContact O-CG 3.5Å; D656-K660 PolarHBondContact O-N 3.35Å | ||
| 657 | A | 81.3 | Confident | 87.7 | Confident | 28 Ų | 28 | 20.1 Ų | 20.1 | 23% | 0.231 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59 | -34.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T661 I989 | A657-T661 WeakPolarHBondContact O-CB 3.41Å; A657-T661 PolarHBondContact O-N 3.3Å; A657-T661 PolarHBondContact O-OG1 3.14Å; A657-I989 HydrophobicContact CB-CD1 3.82Å; A657-I989 HydrophobicContact CB-CG1 4.01Å |
| 658 | Q | 81.3 | Confident | 87.7 | Confident | 97 Ų | 97 | 19.5 Ų | 19.5 | 45% | 0.453 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -69.1 | -48.9 | 179.2 | 176.7 | 175.1 | -20.3 | 0 | 0 | 111 | D656 K660 T661 A662 L990 | D656-Q658 PolarHBondContact O-N 3.17Å; D656-Q658 PolarHBondContact OD1-N 2.93Å; Q658-K660 VanDerWaalsContact C-N 3.35Å; Q658-K660 PolarHBondContact O-N 3.02Å; Q658-T661 WeakPolarHBondContact O-CB 3.29Å; Q658-T661 PolarHBondContact O-N 3.44Å; Q658-A662 PolarHBondContact O-N 3.19Å; Q658-L990 HydrophobicContact CB-CD2 4.49Å; Q658-L990 HydrophobicContact CG-CD2 3.86Å |
| 659 | A | 86.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I625 F655 D656 T661 A662 L663 | I625-A659 HydrophobicContact CD1-CB 3.72Å; F655-A659 HydrophobicContact CB-CB 3.98Å; F655-A659 HydrophobicContact CD1-CB 3.82Å; F655-A659 HydrophobicContact CG-CB 4.34Å; D656-A659 PolarHBondContact O-N 2.92Å; D656-A659 VanDerWaalsContact OD1-CB 3.29Å; D656-A659 WeakPolarHBondContact OD1-CB 3.47Å; D656-A659 PolarHBondContact OD1-N 3.01Å; A659-T661 VanDerWaalsContact C-N 3.32Å; A659-T661 PolarHBondContact O-N 3.42Å; A659-A662 WeakPolarHBondContact O-CB 3.28Å; A659-A662 PolarHBondContact O-N 3.47Å; A659-A662 VanDerWaalsContact O-N 3.15Å; A659-L663 WeakPolarHBondContact O-CG 3.31Å; A659-L663 PolarHBondContact O-N 3.33Å |
| 660 | K | 88.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.1 | -37.4 | 177.2 | -69.6 | 177.4 | 178.4 | 172.1 | 0 | 112.7 | P652 F655 D656 Q658 A662 L663 L664 L921 F922 E926 | P652-K660 WeakPolarHBondContact O-CE 3.31Å; P652-K660 PolarHBondContact O-NZ 2.9Å; F655-K660 HydrophobicContact CB-CD 4.4Å; F655-K660 HydrophobicContact CB-CG 3.72Å; F655-K660 VanDerWaalsContact O-CE 3.25Å; F655-K660 WeakPolarHBondContact O-CE 3.23Å; D656-K660 WeakPolarHBondContact O-CG 3.5Å; D656-K660 PolarHBondContact O-N 3.35Å; Q658-K660 VanDerWaalsContact C-N 3.35Å; Q658-K660 PolarHBondContact O-N 3.02Å; K660-A662 VanDerWaalsContact C-N 3.33Å; K660-A662 PolarHBondContact O-N 2.97Å; K660-L663 WeakPolarHBondContact O-CB 3.31Å; K660-L663 PolarHBondContact O-N 3.1Å; K660-L664 PolarHBondContact O-N 2.84Å; K660-L921 WeakPolarHBondContact CE-O 3.44Å; K660-L921 PolarHBondContact NZ-O 2.94Å; K660-F922 HydrophobicContact CB-CD1 4.11Å; K660-F922 HydrophobicContact CB-CE1 3.55Å; K660-F922 HydrophobicContact CB-CE2 4.33Å; K660-F922 HydrophobicContact CB-CZ 3.69Å; K660-F922 HydrophobicContact CD-CD1 4.29Å; K660-F922 VanDerWaalsContact O-CZ 3.23Å; K660-F922 WeakPolarHBondContact O-CZ 3.24Å; K660-E926 VanDerWaalsContact CD-OE2 3.27Å; K660-E926 WeakPolarHBondContact CD-OE2 3.34Å; K660-E926 IonicContact NZ-OE1 2.71Å; K660-E926 PolarHBondContact NZ-OE1 2.77Å; K660-E926 IonicContact NZ-OE2 3.38Å; K660-E926 PolarHBondContact NZ-OE2 2.68Å |
| 661 | T | 82.9 | Confident | 87.3 | Confident | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 174 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | A657 Q658 A659 L663 L664 Q665 I989 L990 | A657-T661 WeakPolarHBondContact O-CB 3.41Å; A657-T661 PolarHBondContact O-N 3.3Å; A657-T661 PolarHBondContact O-OG1 3.14Å; Q658-T661 WeakPolarHBondContact O-CB 3.29Å; Q658-T661 PolarHBondContact O-N 3.44Å; A659-T661 VanDerWaalsContact C-N 3.32Å; A659-T661 PolarHBondContact O-N 3.42Å; T661-L663 VanDerWaalsContact C-N 3.34Å; T661-L663 PolarHBondContact O-N 3.47Å; T661-L664 PolarHBondContact O-N 3.02Å; T661-Q665 WeakPolarHBondContact O-CB 3.46Å; T661-Q665 WeakPolarHBondContact O-CG 3.38Å; T661-Q665 PolarHBondContact O-N 2.93Å; T661-I989 HydrophobicContact CG2-CG2 3.82Å; T661-I989 WeakPolarHBondContact OG1-CG2 3.38Å; T661-L990 HydrophobicContact CG2-CD1 4.5Å; T661-L990 HydrophobicContact CG2-CD2 4.13Å; T661-L990 HydrophobicContact CG2-CG 4.24Å |
| 662 | A | 85.3 | Confident | 87 | Confident | 14 Ų | 14 | 23.9 Ų | 23.9 | 12% | 0.116 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -35.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q658 A659 K660 Q665 T666 | Q658-A662 PolarHBondContact O-N 3.19Å; A659-A662 WeakPolarHBondContact O-CB 3.28Å; A659-A662 PolarHBondContact O-N 3.47Å; A659-A662 VanDerWaalsContact O-N 3.15Å; K660-A662 VanDerWaalsContact C-N 3.33Å; K660-A662 PolarHBondContact O-N 2.97Å; A662-Q665 PolarHBondContact O-N 3.1Å; A662-T666 WeakPolarHBondContact O-CB 3.29Å; A662-T666 PolarHBondContact O-N 2.99Å; A662-T666 PolarHBondContact O-OG1 3.48Å |
| 663 | L | 88.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 173.6 | -68 | 173.8 | 0 | 0 | 0 | 111.4 | I625 Y629 F655 A659 K660 T661 T666 D667 L921 | I625-L663 HydrophobicContact CG2-CD1 4.4Å; I625-L663 HydrophobicContact CG2-CD2 3.38Å; I625-L663 HydrophobicContact CG2-CG 3.68Å; Y629-L663 VanDerWaalsContact CB-CD2 3.49Å; Y629-L663 HydrophobicContact CD2-CD2 3.84Å; Y629-L663 HydrophobicContact CG-CD2 3.81Å; F655-L663 HydrophobicContact CD2-CD1 4.36Å; F655-L663 HydrophobicContact CE2-CD1 4.38Å; F655-L663 HydrophobicContact CG-CD1 4.44Å; F655-L663 HydrophobicContact CZ-CD1 4.45Å; A659-L663 WeakPolarHBondContact O-CG 3.31Å; A659-L663 PolarHBondContact O-N 3.33Å; K660-L663 WeakPolarHBondContact O-CB 3.31Å; K660-L663 PolarHBondContact O-N 3.1Å; T661-L663 VanDerWaalsContact C-N 3.34Å; T661-L663 PolarHBondContact O-N 3.47Å; L663-T666 WeakPolarHBondContact O-CB 3.22Å; L663-T666 PolarHBondContact O-N 3.18Å; L663-D667 PolarHBondContact O-N 2.94Å; L663-L921 HydrophobicContact CD1-CD1 4.03Å |
| 664 | L | 87.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 177 | -176 | 68.3 | 0 | 0 | 0 | 112.4 | K660 T661 T666 D667 A668 I796 V918 F922 M930 | K660-L664 PolarHBondContact O-N 2.84Å; T661-L664 PolarHBondContact O-N 3.02Å; L664-T666 PolarHBondContact O-N 3.35Å; L664-D667 PolarHBondContact O-N 2.69Å; L664-A668 WeakPolarHBondContact O-CB 3.44Å; L664-A668 PolarHBondContact O-N 2.96Å; L664-I796 HydrophobicContact CD2-CG2 3.53Å; L664-V918 HydrophobicContact CB-CG2 4.36Å; L664-V918 HydrophobicContact CD1-CB 4.41Å; L664-V918 HydrophobicContact CD1-CG1 3.49Å; L664-V918 VanDerWaalsContact CD1-CG1 3.49Å; L664-V918 HydrophobicContact CD1-CG2 4.05Å; L664-F922 HydrophobicContact CB-CE2 4.31Å; L664-F922 HydrophobicContact CB-CZ 3.99Å; L664-F922 HydrophobicContact CD2-CZ 4.41Å; L664-M930 HydrophobicContact CD2-CE 3.67Å; L664-M930 HydrophobicContact CD2-SD 3.13Å; L664-M930 WeakPolarHBondContact CD2-SD 3.18Å |
| 665 | Q | 86 | Confident | 85.8 | Confident | 50 Ų | 50 | 31.9 Ų | 31.9 | 23% | 0.234 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.9 | -43.3 | 173.5 | -79.4 | 174 | -3.5 | 0 | 0 | 111.8 | T661 A662 A668 V669 F799 | T661-Q665 WeakPolarHBondContact O-CB 3.46Å; T661-Q665 WeakPolarHBondContact O-CG 3.38Å; T661-Q665 PolarHBondContact O-N 2.93Å; A662-Q665 PolarHBondContact O-N 3.1Å; Q665-A668 PolarHBondContact O-N 3.42Å; Q665-V669 VanDerWaalsContact O-CG2 3.3Å; Q665-V669 WeakPolarHBondContact O-CG2 3.29Å; Q665-V669 PolarHBondContact O-N 3.21Å; Q665-F799 HydrophobicContact CB-CE1 3.98Å; Q665-F799 HydrophobicContact CB-CZ 3.89Å; Q665-F799 HydrophobicContact CG-CD1 3.63Å; Q665-F799 HydrophobicContact CG-CD2 4.44Å; Q665-F799 HydrophobicContact CG-CE1 3.18Å; Q665-F799 HydrophobicContact CG-CE2 4.05Å; Q665-F799 HydrophobicContact CG-CG 4.27Å; Q665-F799 HydrophobicContact CG-CZ 3.44Å; Q665-F799 VanDerWaalsContact CG-CZ 3.44Å |
| 666 | T | 86.6 | Confident | 85.5 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -45.8 | 178.5 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | R626 Y629 A662 L663 L664 A668 V669 I670 | R626-T666 HydrophobicContact CB-CG2 4.05Å; R626-T666 WeakPolarHBondContact CG-OG1 3.47Å; Y629-T666 HydrophobicContact CD1-CG2 4.18Å; A662-T666 WeakPolarHBondContact O-CB 3.29Å; A662-T666 PolarHBondContact O-N 2.99Å; A662-T666 PolarHBondContact O-OG1 3.48Å; L663-T666 WeakPolarHBondContact O-CB 3.22Å; L663-T666 PolarHBondContact O-N 3.18Å; L664-T666 PolarHBondContact O-N 3.35Å; T666-A668 PolarHBondContact O-N 3.4Å; T666-V669 PolarHBondContact O-N 3.22Å; T666-I670 HydrophobicContact CG2-CD1 3.81Å; T666-I670 WeakPolarHBondContact O-CB 3.37Å; T666-I670 WeakPolarHBondContact O-CD1 3.39Å; T666-I670 VanDerWaalsContact O-CG1 3.23Å; T666-I670 WeakPolarHBondContact O-CG1 3.5Å; T666-I670 PolarHBondContact O-N 3.02Å |
| 667 | D | 87.9 | Confident | 85.3 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.8 | -172.1 | 57.9 | 0 | 0 | 0 | 112 | Y629 L663 L664 V669 I670 Q671 V918 | Y629-D667 HydrophobicContact CE1-CB 3.6Å; Y629-D667 WeakPolarHBondContact OH-CB 3.5Å; Y629-D667 VanDerWaalsContact OH-CG 3.26Å; Y629-D667 PolarHBondContact OH-OD1 3.41Å; Y629-D667 VanDerWaalsContact OH-OD1 3.06Å; L663-D667 PolarHBondContact O-N 2.94Å; L664-D667 PolarHBondContact O-N 2.69Å; D667-V669 PolarHBondContact O-N 3.36Å; D667-I670 PolarHBondContact O-N 3.09Å; D667-Q671 VanDerWaalsContact O-CB 3.31Å; D667-Q671 WeakPolarHBondContact O-CB 3.48Å; D667-Q671 WeakPolarHBondContact O-CG 3.48Å; D667-Q671 PolarHBondContact O-N 2.92Å; D667-V918 HydrophobicContact CB-CB 4.27Å; D667-V918 HydrophobicContact CB-CG1 4.35Å; D667-V918 HydrophobicContact CB-CG2 4.11Å |
| 668 | A | 85.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L664 Q665 T666 I670 Q671 M672 Y797 F799 | L664-A668 WeakPolarHBondContact O-CB 3.44Å; L664-A668 PolarHBondContact O-N 2.96Å; Q665-A668 PolarHBondContact O-N 3.42Å; T666-A668 PolarHBondContact O-N 3.4Å; A668-I670 PolarHBondContact O-N 3.32Å; A668-Q671 PolarHBondContact O-N 2.68Å; A668-M672 WeakPolarHBondContact O-CB 3.43Å; A668-M672 WeakPolarHBondContact O-CG 3.44Å; A668-M672 PolarHBondContact O-N 3.22Å; A668-Y797 VanDerWaalsContact CA-CE2 3.47Å; A668-Y797 HydrophobicContact CB-CD1 4.45Å; A668-Y797 HydrophobicContact CB-CD2 3.67Å; A668-Y797 HydrophobicContact CB-CE1 4.3Å; A668-Y797 HydrophobicContact CB-CE2 3.5Å; A668-Y797 VanDerWaalsContact CB-CE2 3.5Å; A668-Y797 HydrophobicContact CB-CG 4.15Å; A668-Y797 PolarHBondContact O-OH 3.44Å; A668-F799 HydrophobicContact CB-CZ 3.93Å |
| 669 | V | 86.2 | Confident | 85.5 | Confident | 89 Ų | 89 | 34 Ų | 34 | 54% | 0.539 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | Q665 T666 D667 M672 Q673 | Q665-V669 VanDerWaalsContact O-CG2 3.3Å; Q665-V669 WeakPolarHBondContact O-CG2 3.29Å; Q665-V669 PolarHBondContact O-N 3.21Å; T666-V669 PolarHBondContact O-N 3.22Å; D667-V669 PolarHBondContact O-N 3.36Å; V669-M672 PolarHBondContact O-N 2.93Å; V669-Q673 WeakPolarHBondContact O-CB 3.32Å; V669-Q673 PolarHBondContact O-N 3.06Å |
| 670 | I | 84.3 | Confident | 85.3 | Confident | 51 Ų | 51 | 39.1 Ų | 39.1 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61 | -49.8 | 178.9 | -71.6 | 166.3 | 0 | 0 | 0 | 110.5 | V630 T666 D667 A668 Q673 M674 | V630-I670 HydrophobicContact CG2-CD1 3.72Å; T666-I670 HydrophobicContact CG2-CD1 3.81Å; T666-I670 WeakPolarHBondContact O-CB 3.37Å; T666-I670 WeakPolarHBondContact O-CD1 3.39Å; T666-I670 VanDerWaalsContact O-CG1 3.23Å; T666-I670 WeakPolarHBondContact O-CG1 3.5Å; T666-I670 PolarHBondContact O-N 3.02Å; D667-I670 PolarHBondContact O-N 3.09Å; A668-I670 PolarHBondContact O-N 3.32Å; I670-Q673 PolarHBondContact O-N 3.11Å; I670-M674 HydrophobicContact CG2-CG 4.49Å; I670-M674 HydrophobicContact CG2-SD 3.97Å; I670-M674 VanDerWaalsContact O-CG 3.27Å; I670-M674 WeakPolarHBondContact O-CG 3.47Å; I670-M674 PolarHBondContact O-N 3.34Å |
| 671 | Q | 85 | Confident | 85.1 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -37.8 | -178.7 | -69.4 | -75.3 | -36.9 | 0 | 0 | 111.9 | D667 A668 M674 A675 Y797 | D667-Q671 VanDerWaalsContact O-CB 3.31Å; D667-Q671 WeakPolarHBondContact O-CB 3.48Å; D667-Q671 WeakPolarHBondContact O-CG 3.48Å; D667-Q671 PolarHBondContact O-N 2.92Å; A668-Q671 PolarHBondContact O-N 2.68Å; Q671-M674 PolarHBondContact O-N 3.45Å; Q671-A675 WeakPolarHBondContact O-CB 3.18Å; Q671-A675 PolarHBondContact O-N 2.83Å; Q671-Y797 WeakPolarHBondContact CB-OH 3.26Å |
| 672 | M | 85.8 | Confident | 85 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 171.5 | -75.8 | -179.2 | -170.1 | 0 | 0 | 111.6 | A668 V669 M674 A675 V676 K725 Y797 | A668-M672 WeakPolarHBondContact O-CB 3.43Å; A668-M672 WeakPolarHBondContact O-CG 3.44Å; A668-M672 PolarHBondContact O-N 3.22Å; V669-M672 PolarHBondContact O-N 2.93Å; M672-M674 VanDerWaalsContact C-N 3.35Å; M672-M674 PolarHBondContact O-N 3.45Å; M672-A675 PolarHBondContact O-N 2.86Å; M672-V676 WeakPolarHBondContact O-CG2 3.37Å; M672-V676 PolarHBondContact O-N 3.19Å; M672-K725 VanDerWaalsContact CA-O 3.25Å; M672-K725 WeakPolarHBondContact CA-O 2.81Å; M672-K725 VanDerWaalsContact CG-O 3.25Å; M672-K725 WeakPolarHBondContact CG-O 3.46Å; M672-Y797 HydrophobicContact CE-CD1 3.26Å; M672-Y797 HydrophobicContact CE-CE1 3.42Å; M672-Y797 VanDerWaalsContact CE-CE1 3.42Å; M672-Y797 HydrophobicContact CE-CG 4.24Å; M672-Y797 WeakPolarHBondContact CE-O 3.43Å; M672-Y797 HydrophobicContact CG-CD1 4.45Å; M672-Y797 HydrophobicContact CG-CE1 3.64Å; M672-Y797 HydrophobicContact SD-CE1 4.39Å |
| 673 | Q | 85.4 | Confident | 84.9 | Confident | 104 Ų | 104 | 48.3 Ų | 48.3 | 49% | 0.486 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 178.5 | -172.4 | 61.9 | 40.2 | 0 | 0 | 111.1 | V669 I670 A675 V676 D677 | V669-Q673 WeakPolarHBondContact O-CB 3.32Å; V669-Q673 PolarHBondContact O-N 3.06Å; I670-Q673 PolarHBondContact O-N 3.11Å; Q673-A675 VanDerWaalsContact C-N 3.31Å; Q673-A675 PolarHBondContact O-N 3.2Å; Q673-V676 PolarHBondContact O-N 3.06Å; Q673-D677 PolarHBondContact NE2-OD1 2.98Å; Q673-D677 WeakPolarHBondContact O-CB 3.3Å; Q673-D677 VanDerWaalsContact O-CG 3.22Å; Q673-D677 PolarHBondContact O-N 3.33Å |
| 674 | M | 83.9 | Confident | 84.6 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 48% | 0.478 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 175.8 | -71.3 | 177.6 | 71.2 | 0 | 0 | 112.4 | I670 Q671 M672 Q678 | I670-M674 HydrophobicContact CG2-CG 4.49Å; I670-M674 HydrophobicContact CG2-SD 3.97Å; I670-M674 VanDerWaalsContact O-CG 3.27Å; I670-M674 WeakPolarHBondContact O-CG 3.47Å; I670-M674 PolarHBondContact O-N 3.34Å; Q671-M674 PolarHBondContact O-N 3.45Å; M672-M674 VanDerWaalsContact C-N 3.35Å; M672-M674 PolarHBondContact O-N 3.45Å; M674-Q678 VanDerWaalsContact O-CB 3.28Å; M674-Q678 WeakPolarHBondContact O-CB 3.17Å; M674-Q678 PolarHBondContact O-N 3.21Å |
| 675 | A | 84.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q671 M672 Q673 A679 K725 K726 | Q671-A675 WeakPolarHBondContact O-CB 3.18Å; Q671-A675 PolarHBondContact O-N 2.83Å; M672-A675 PolarHBondContact O-N 2.86Å; Q673-A675 VanDerWaalsContact C-N 3.31Å; Q673-A675 PolarHBondContact O-N 3.2Å; A675-A679 WeakPolarHBondContact O-CB 3.38Å; A675-A679 PolarHBondContact O-N 3.05Å; A675-K725 HydrophobicContact CB-CB 4.14Å; A675-K726 HydrophobicContact CB-CG 4.01Å |
| 676 | V | 84.4 | Confident | 83.9 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 174 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | M672 Q673 Q678 A679 Q680 P697 P727 | M672-V676 WeakPolarHBondContact O-CG2 3.37Å; M672-V676 PolarHBondContact O-N 3.19Å; Q673-V676 PolarHBondContact O-N 3.06Å; V676-Q678 VanDerWaalsContact C-N 3.31Å; V676-Q678 PolarHBondContact O-N 3.42Å; V676-A679 PolarHBondContact O-N 3.13Å; V676-A679 VanDerWaalsContact O-N 3.17Å; V676-Q680 HydrophobicContact CG1-CG 4.37Å; V676-Q680 WeakPolarHBondContact O-CB 3.42Å; V676-Q680 WeakPolarHBondContact O-CG 3.04Å; V676-Q680 PolarHBondContact O-N 2.87Å; V676-P697 HydrophobicContact CG1-CB 4.46Å; V676-P727 HydrophobicContact CG2-CG 3.96Å |
| 677 | D | 83.7 | Confident | 83.5 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 35% | 0.353 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 179.3 | -67.5 | -13.9 | 0 | 0 | 0 | 110.9 | Q673 Q680 L681 | Q673-D677 PolarHBondContact NE2-OD1 2.98Å; Q673-D677 WeakPolarHBondContact O-CB 3.3Å; Q673-D677 VanDerWaalsContact O-CG 3.22Å; Q673-D677 PolarHBondContact O-N 3.33Å; D677-Q680 PolarHBondContact O-N 3.34Å; D677-L681 WeakPolarHBondContact O-CB 3.28Å; D677-L681 WeakPolarHBondContact O-CG 3.45Å; D677-L681 PolarHBondContact O-N 2.8Å |
| 678 | Q | 84.1 | Confident | 83.1 | Confident | 105 Ų | 105 | 67.7 Ų | 67.7 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 174.7 | -172.7 | 176.9 | 10.6 | 0 | 0 | 112.1 | M674 V676 L681 Q682 | M674-Q678 VanDerWaalsContact O-CB 3.28Å; M674-Q678 WeakPolarHBondContact O-CB 3.17Å; M674-Q678 PolarHBondContact O-N 3.21Å; V676-Q678 VanDerWaalsContact C-N 3.31Å; V676-Q678 PolarHBondContact O-N 3.42Å; Q678-L681 PolarHBondContact O-N 3.17Å; Q678-Q682 WeakPolarHBondContact O-CB 3.48Å; Q678-Q682 PolarHBondContact O-N 2.65Å |
| 679 | A | 82.8 | Confident | 82.4 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A675 V676 Q682 N683 | A675-A679 WeakPolarHBondContact O-CB 3.38Å; A675-A679 PolarHBondContact O-N 3.05Å; V676-A679 PolarHBondContact O-N 3.13Å; V676-A679 VanDerWaalsContact O-N 3.17Å; A679-Q682 PolarHBondContact O-N 2.94Å; A679-N683 WeakPolarHBondContact O-CB 3.37Å; A679-N683 PolarHBondContact O-N 3.29Å; A679-N683 PolarHBondContact O-ND2 3.38Å |
| 680 | Q | 83.8 | Confident | 81.2 | Confident | 110 Ų | 110 | 74.8 Ų | 74.8 | 51% | 0.514 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 175.1 | -73.3 | -177.6 | 0.9 | 0 | 0 | 112 | V676 D677 Q682 N683 F684 | V676-Q680 HydrophobicContact CG1-CG 4.37Å; V676-Q680 WeakPolarHBondContact O-CB 3.42Å; V676-Q680 WeakPolarHBondContact O-CG 3.04Å; V676-Q680 PolarHBondContact O-N 2.87Å; D677-Q680 PolarHBondContact O-N 3.34Å; Q680-Q682 VanDerWaalsContact C-N 3.35Å; Q680-N683 PolarHBondContact O-N 3.22Å; Q680-F684 WeakPolarHBondContact O-CB 3.39Å; Q680-F684 PolarHBondContact O-N 3.16Å |
| 681 | L | 82.9 | Confident | 80.3 | Confident | 116 Ų | 116 | 77.2 Ų | 77.2 | 61% | 0.607 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 174.2 | -77.6 | 166.6 | 0 | 0 | 0 | 111.9 | D677 Q678 F684 S685 | D677-L681 WeakPolarHBondContact O-CB 3.28Å; D677-L681 WeakPolarHBondContact O-CG 3.45Å; D677-L681 PolarHBondContact O-N 2.8Å; Q678-L681 PolarHBondContact O-N 3.17Å; L681-F684 PolarHBondContact O-N 3.03Å; L681-S685 WeakPolarHBondContact O-CB 3.24Å; L681-S685 PolarHBondContact O-N 3.07Å; L681-S685 PolarHBondContact O-OG 3.08Å |
| 682 | Q | 81.5 | Confident | 79.5 | Confident | 63 Ų | 63 | 77.7 Ų | 77.7 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 175 | -175 | 176.2 | -14.6 | 0 | 0 | 111.4 | Q678 A679 Q680 S685 S686 V692 E693 V695 | Q678-Q682 WeakPolarHBondContact O-CB 3.48Å; Q678-Q682 PolarHBondContact O-N 2.65Å; A679-Q682 PolarHBondContact O-N 2.94Å; Q680-Q682 VanDerWaalsContact C-N 3.35Å; Q682-S685 CarbonylContact O-C 3.52Å; Q682-S685 WeakPolarHBondContact O-CB 3.31Å; Q682-S685 PolarHBondContact O-N 2.69Å; Q682-S686 PolarHBondContact O-N 3.29Å; Q682-V692 HydrophobicContact CG-CG1 3.69Å; Q682-E693 PolarHBondContact NE2-O 3.3Å; Q682-E693 VanDerWaalsContact NE2-O 3.08Å; Q682-V695 HydrophobicContact CG-CG2 4.41Å; Q682-V695 VanDerWaalsContact NE2-CG2 3.25Å |
| 683 | N | 83.4 | Confident | 78.7 | Confident | 35 Ų | 35 | 83.6 Ų | 83.6 | 19% | 0.187 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.6 | -74.3 | -18.2 | 0 | 0 | 0 | 111.7 | A679 Q680 S685 S686 M687 S694 V695 | A679-N683 WeakPolarHBondContact O-CB 3.37Å; A679-N683 PolarHBondContact O-N 3.29Å; A679-N683 PolarHBondContact O-ND2 3.38Å; Q680-N683 PolarHBondContact O-N 3.22Å; N683-S685 VanDerWaalsContact C-N 3.3Å; N683-S685 PolarHBondContact O-N 3.19Å; N683-S686 WeakPolarHBondContact CA-OG 3.47Å; N683-S686 PolarHBondContact O-N 2.78Å; N683-S686 PolarHBondContact O-OG 2.91Å; N683-M687 PolarHBondContact O-N 3.08Å; N683-S694 VanDerWaalsContact OD1-CA 3.3Å; N683-S694 WeakPolarHBondContact OD1-CA 3.35Å; N683-V695 PolarHBondContact ND2-O 3.41Å; N683-V695 PolarHBondContact OD1-N 2.99Å; N683-V695 PolarHBondContact OD1-O 3.03Å; N683-V695 VanDerWaalsContact OD1-O 3.13Å |
| 684 | F | 81.6 | Confident | 78 | Confident | 125 Ų | 125 | 83 Ų | 83 | 55% | 0.548 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 173.4 | -172.6 | -97.2 | 0 | 0 | 0 | 110.4 | Q680 L681 S686 M687 F688 | Q680-F684 WeakPolarHBondContact O-CB 3.39Å; Q680-F684 PolarHBondContact O-N 3.16Å; L681-F684 PolarHBondContact O-N 3.03Å; F684-S686 PolarHBondContact O-N 3.04Å; F684-M687 WeakPolarHBondContact O-CB 3.49Å; F684-M687 PolarHBondContact O-N 3.33Å; F684-F688 HydrophobicContact CD1-CD2 4.29Å; F684-F688 AromaticContact CD1-CE2 3.95Å; F684-F688 HydrophobicContact CD1-CE2 3.95Å; F684-F688 HydrophobicContact CD2-CE2 4.19Å; F684-F688 HydrophobicContact CE1-CD2 4.12Å; F684-F688 AromaticContact CE1-CE2 3.53Å; F684-F688 HydrophobicContact CE1-CE2 3.53Å; F684-F688 HydrophobicContact CE1-CZ 4.42Å; F684-F688 AromaticContact CE2-CE2 3.8Å; F684-F688 HydrophobicContact CE2-CE2 3.8Å; F684-F688 HydrophobicContact CE2-CZ 4.33Å; F684-F688 HydrophobicContact CG-CE2 4.26Å; F684-F688 HydrophobicContact CZ-CD2 4.46Å; F684-F688 AromaticContact CZ-CE2 3.46Å; F684-F688 HydrophobicContact CZ-CE2 3.46Å; F684-F688 VanDerWaalsContact CZ-CE2 3.46Å; F684-F688 AromaticContact CZ-CZ 4Å; F684-F688 HydrophobicContact CZ-CZ 4Å; F684-F688 WeakPolarHBondContact O-CD2 3.2Å |
| 685 | S | 79.4 | Confident | 77.8 | Confident | 49 Ų | 49 | 80 Ų | 80 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | L681 Q682 N683 M687 F688 L689 | L681-S685 WeakPolarHBondContact O-CB 3.24Å; L681-S685 PolarHBondContact O-N 3.07Å; L681-S685 PolarHBondContact O-OG 3.08Å; Q682-S685 CarbonylContact O-C 3.52Å; Q682-S685 WeakPolarHBondContact O-CB 3.31Å; Q682-S685 PolarHBondContact O-N 2.69Å; N683-S685 VanDerWaalsContact C-N 3.3Å; N683-S685 PolarHBondContact O-N 3.19Å; S685-M687 PolarHBondContact O-N 3.07Å; S685-F688 PolarHBondContact O-N 2.9Å; S685-L689 PolarHBondContact O-N 3.12Å |
| 686 | S | 80.2 | Confident | 77.5 | Confident | 26 Ų | 26 | 83.6 Ų | 83.6 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.6 | -26.6 | 176.7 | 72.2 | 0 | 0 | 0 | 0 | 113.5 | Q682 N683 F684 F688 V692 | Q682-S686 PolarHBondContact O-N 3.29Å; N683-S686 WeakPolarHBondContact CA-OG 3.47Å; N683-S686 PolarHBondContact O-N 2.78Å; N683-S686 PolarHBondContact O-OG 2.91Å; F684-S686 PolarHBondContact O-N 3.04Å; S686-F688 VanDerWaalsContact C-N 3.26Å; S686-F688 PolarHBondContact O-N 3.32Å; S686-V692 WeakPolarHBondContact CB-O 3.21Å |
| 687 | M | 78.1 | Confident | 77.4 | Confident | 149 Ų | 149 | 84.8 Ų | 84.8 | 73% | 0.734 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.2 | -25.4 | 173.6 | -66.7 | -175.7 | -173.5 | 0 | 0 | 112.7 | N683 F684 S685 | N683-M687 PolarHBondContact O-N 3.08Å; F684-M687 WeakPolarHBondContact O-CB 3.49Å; F684-M687 PolarHBondContact O-N 3.33Å; S685-M687 PolarHBondContact O-N 3.07Å |
| 688 | F | 78.3 | Confident | 77.3 | Confident | 141 Ų | 141 | 83.7 Ų | 83.7 | 62% | 0.618 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -108.1 | -17.8 | -177.3 | -59.3 | -77.2 | 0 | 0 | 0 | 113.8 | F684 S685 S686 | F684-F688 HydrophobicContact CD1-CD2 4.29Å; F684-F688 AromaticContact CD1-CE2 3.95Å; F684-F688 HydrophobicContact CD1-CE2 3.95Å; F684-F688 HydrophobicContact CD2-CE2 4.19Å; F684-F688 HydrophobicContact CE1-CD2 4.12Å; F684-F688 AromaticContact CE1-CE2 3.53Å; F684-F688 HydrophobicContact CE1-CE2 3.53Å; F684-F688 HydrophobicContact CE1-CZ 4.42Å; F684-F688 AromaticContact CE2-CE2 3.8Å; F684-F688 HydrophobicContact CE2-CE2 3.8Å; F684-F688 HydrophobicContact CE2-CZ 4.33Å; F684-F688 HydrophobicContact CG-CE2 4.26Å; F684-F688 HydrophobicContact CZ-CD2 4.46Å; F684-F688 AromaticContact CZ-CE2 3.46Å; F684-F688 HydrophobicContact CZ-CE2 3.46Å; F684-F688 VanDerWaalsContact CZ-CE2 3.46Å; F684-F688 AromaticContact CZ-CZ 4Å; F684-F688 HydrophobicContact CZ-CZ 4Å; F684-F688 WeakPolarHBondContact O-CD2 3.2Å; S685-F688 PolarHBondContact O-N 2.9Å; S686-F688 VanDerWaalsContact C-N 3.26Å; S686-F688 PolarHBondContact O-N 3.32Å |
| 689 | L | 71.1 | Confident | 77.4 | Confident | 101 Ų | 101 | 79 Ų | 79 | 53% | 0.529 | 44% | 0.439 | S | S | . | . | trans | -128.7 | 109.3 | -177.7 | -70.2 | 169.7 | 0 | 0 | 0 | 111 | S685 A691 V692 | S685-L689 PolarHBondContact O-N 3.12Å; L689-A691 PolarHBondContact O-N 3.49Å; L689-V692 HydrophobicContact CB-CG2 4.13Å; L689-V692 PolarHBondContact O-N 2.8Å; L689-V692 VanDerWaalsContact O-N 3.13Å | ||
| 690 | P | 60.9 | Low | 77.6 | Confident | 137 Ų | 137 | 81.2 Ų | 81.2 | 89% | 0.89 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.5 | -176.6 | -22.8 | 31.8 | 0 | 0 | 0 | 115.6 | V692 | P690-V692 VanDerWaalsContact C-N 3.34Š|
| 691 | A | 64.9 | Low | 77.7 | Confident | 101 Ų | 101 | 76 Ų | 76 | 84% | 0.835 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L689 | L689-A691 PolarHBondContact O-N 3.49Š|
| 692 | V | 68 | Low | 77.9 | Confident | 49 Ų | 49 | 74.9 Ų | 74.9 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -106.1 | 115.7 | -180 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | Q682 S686 L689 P690 | Q682-V692 HydrophobicContact CG-CG1 3.69Å; S686-V692 WeakPolarHBondContact CB-O 3.21Å; L689-V692 HydrophobicContact CB-CG2 4.13Å; L689-V692 PolarHBondContact O-N 2.8Å; L689-V692 VanDerWaalsContact O-N 3.13Å; P690-V692 VanDerWaalsContact C-N 3.34Å |
| 693 | E | 69.9 | Low | 78.3 | Confident | 153 Ų | 153 | 71.9 Ų | 71.9 | 72% | 0.715 | 41% | 0.405 | S | S | * | . | trans | -73.5 | 141 | 177.4 | -68 | 176.8 | 166.8 | 0 | 0 | 111.7 | Q682 | Q682-E693 PolarHBondContact NE2-O 3.3Å; Q682-E693 VanDerWaalsContact NE2-O 3.08Å | ||
| 694 | S | 70.4 | Confident | 78.5 | Confident | 92 Ų | 92 | 76.4 Ų | 76.4 | 64% | 0.643 | 42% | 0.419 | S | S | * | . | trans | -70.9 | 140.4 | 171.6 | 62.3 | 0 | 0 | 0 | 0 | 111 | N683 | N683-S694 VanDerWaalsContact OD1-CA 3.3Å; N683-S694 WeakPolarHBondContact OD1-CA 3.35Å | ||
| 695 | V | 79.8 | Confident | 78.6 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | trans | -125.3 | 144.8 | -176.7 | -162.3 | 0 | 0 | 0 | 0 | 110.4 | Q682 N683 | Q682-V695 HydrophobicContact CG-CG2 4.41Å; Q682-V695 VanDerWaalsContact NE2-CG2 3.25Å; N683-V695 PolarHBondContact ND2-O 3.41Å; N683-V695 PolarHBondContact OD1-N 2.99Å; N683-V695 PolarHBondContact OD1-O 3.03Å; N683-V695 VanDerWaalsContact OD1-O 3.13Å | ||
| 696 | N | 78.3 | Confident | 78.9 | Confident | 79 Ų | 79 | 82.6 Ų | 82.6 | 42% | 0.422 | 44% | 0.44 | S | S | . | . | trans | -69 | 137 | 176.3 | -158.9 | -50.3 | 0 | 0 | 0 | 111.2 | C698 I700 K726 | N696-C698 VanDerWaalsContact C-N 3.25Å; N696-C698 PolarHBondContact O-N 2.91Å; N696-C698 PolarHBondContact OD1-N 3.13Å; N696-C698 PolarHBondContact OD1-O 3.02Å; N696-I700 WeakPolarHBondContact ND2-CD1 3.38Å; N696-K726 WeakPolarHBondContact O-CD 3.15Å; N696-K726 WeakPolarHBondContact O-CE 3.32Å; N696-K726 PolarHBondContact O-NZ 3.42Å | ||
| 697 | P | 81.3 | Confident | 79.2 | Confident | 47 Ų | 47 | 84.6 Ų | 84.6 | 31% | 0.305 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -70.8 | -15.6 | 174.7 | 28.5 | -36.9 | 0 | 0 | 0 | 114.1 | V676 | V676-P697 HydrophobicContact CG1-CB 4.46Š|
| 698 | C | 82.5 | Confident | 79.7 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 28% | 0.284 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -112.8 | 152.6 | 175.4 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | N696 I700 P727 | N696-C698 VanDerWaalsContact C-N 3.25Å; N696-C698 PolarHBondContact O-N 2.91Å; N696-C698 PolarHBondContact OD1-N 3.13Å; N696-C698 PolarHBondContact OD1-O 3.02Å; C698-I700 HydrophobicContact CB-CG1 4.19Å; C698-I700 PolarHBondContact O-N 3.45Å; C698-P727 WeakPolarHBondContact CA-O 3.36Å; C698-P727 WeakPolarHBondContact CB-O 3.14Å |
| 699 | L | 85.9 | Confident | 80.1 | Confident | 8 Ų | 8 | 71.4 Ų | 71.4 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 106.7 | 164.6 | 178.6 | 63.7 | 0 | 0 | 0 | 108 | L716 D723 Y724 K726 P727 L728 K729 L794 | L699-L716 HydrophobicContact CD2-CD2 4.46Å; L699-D723 HydrophobicContact CD1-CB 4.48Å; L699-Y724 HydrophobicContact CD2-CD1 4.32Å; L699-K726 HydrophobicContact CB-CB 4.34Å; L699-P727 PolarHBondContact N-O 3.08Å; L699-L728 HydrophobicContact CD2-CD1 4.09Å; L699-L728 HydrophobicContact CG-CD1 4.18Å; L699-K729 PolarHBondContact O-N 2.8Å; L699-L794 HydrophobicContact CD2-CD1 4.38Å; L699-L794 HydrophobicContact CD2-CD2 4.17Å |
| 700 | I | 86.6 | Confident | 80.7 | Confident | 49 Ų | 49 | 68 Ų | 68 | 25% | 0.251 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.1 | -177.4 | -55.8 | -177.6 | 0 | 0 | 0 | 109.2 | N696 C698 I702 K729 I731 | N696-I700 WeakPolarHBondContact ND2-CD1 3.38Å; C698-I700 HydrophobicContact CB-CG1 4.19Å; C698-I700 PolarHBondContact O-N 3.45Å; I700-I702 HydrophobicContact CG2-CD1 4.39Å; I700-I702 HydrophobicContact CG2-CG1 3.84Å; I700-K729 WeakPolarHBondContact CA-O 3.49Å; I700-K729 HydrophobicContact CG1-CB 4.47Å; I700-I731 HydrophobicContact CG2-CD1 3.83Å; I700-I731 HydrophobicContact CG2-CG1 4.39Å |
| 701 | L | 87.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 111.9 | 170.7 | -61.3 | -176.9 | 0 | 0 | 0 | 109 | V703 V715 L716 L728 K729 V730 I731 F747 | L701-V703 HydrophobicContact CB-CG1 4.5Å; L701-V715 HydrophobicContact CD2-CB 4.03Å; L701-V715 HydrophobicContact CD2-CG1 3.62Å; L701-L716 HydrophobicContact CD2-CD2 4.09Å; L701-L716 HydrophobicContact CD2-CG 4.4Å; L701-L728 HydrophobicContact CD1-CD1 3.72Å; L701-L728 HydrophobicContact CG-CD1 3.83Å; L701-K729 PolarHBondContact N-O 3.5Å; L701-V730 HydrophobicContact CB-CG2 4.4Å; L701-V730 WeakPolarHBondContact O-CA 3.31Å; L701-I731 PolarHBondContact O-N 3.1Å; L701-F747 HydrophobicContact CD1-CE1 3.79Å; L701-F747 HydrophobicContact CD1-CE2 4.36Å; L701-F747 HydrophobicContact CD1-CZ 3.62Å |
| 702 | I | 86.8 | Confident | 83.2 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114.2 | 174 | -55.1 | 178.8 | 0 | 0 | 0 | 107 | I700 I731 V733 | I700-I702 HydrophobicContact CG2-CD1 4.39Å; I700-I702 HydrophobicContact CG2-CG1 3.84Å; I702-I731 WeakPolarHBondContact CA-O 3.5Å; I702-I731 HydrophobicContact CG1-CB 4.47Å; I702-V733 HydrophobicContact CG2-CG2 3.58Å |
| 703 | V | 89.4 | Confident | 84 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.1 | -170.1 | -66 | 0 | 0 | 0 | 0 | 112 | L701 I708 D711 T712 V730 I731 F732 V733 F747 | L701-V703 HydrophobicContact CB-CG1 4.5Å; V703-I708 HydrophobicContact CB-CG1 4.45Å; V703-D711 HydrophobicContact CB-CB 4.3Å; V703-D711 HydrophobicContact CG1-CB 4.05Å; V703-T712 WeakPolarHBondContact CG1-OG1 3.23Å; V703-V730 HydrophobicContact CG2-CG1 4.14Å; V703-I731 PolarHBondContact N-O 3.19Å; V703-F732 HydrophobicContact CG2-CD1 3.77Å; V703-F732 HydrophobicContact CG2-CE1 3.64Å; V703-F732 HydrophobicContact CG2-CZ 4.34Å; V703-F732 WeakPolarHBondContact O-CA 3.42Å; V703-V733 PolarHBondContact O-N 3.49Å; V703-V733 VanDerWaalsContact O-N 3.07Å; V703-F747 HydrophobicContact CG1-CE2 4.27Å; V703-F747 HydrophobicContact CG2-CD2 4.18Å; V703-F747 HydrophobicContact CG2-CE2 4.41Å |
| 704 | R | 88.1 | Confident | 84.8 | Confident | 130 Ų | 130 | 54.1 Ų | 54.1 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | trans | -95.1 | 140 | 169 | -66.1 | 169.5 | -70.7 | 177.1 | -2 | 109.8 | E706 N707 I708 D711 V733 | R704-E706 PolarHBondContact O-N 3.15Å; R704-N707 PolarHBondContact NH2-ND2 2.94Å; R704-N707 CarbonylContact O-C 3.42Å; R704-N707 PolarHBondContact O-N 3.04Å; R704-N707 VanDerWaalsContact O-N 3.1Å; R704-I708 WeakPolarHBondContact O-CA 3.29Å; R704-I708 PolarHBondContact O-N 3.44Å; R704-I708 VanDerWaalsContact O-N 3.09Å; R704-D711 WeakPolarHBondContact CB-OD2 3.4Å; R704-D711 WeakPolarHBondContact CG-OD2 3.45Å; R704-D711 IonicContact CZ-OD1 3.61Å; R704-D711 IonicContact CZ-OD2 3.98Å; R704-D711 PolarHBondContact N-OD2 3.18Å; R704-D711 IonicContact NE-OD1 3.27Å; R704-D711 IonicContact NE-OD2 2.69Å; R704-D711 PolarHBondContact NE-OD2 2.98Å; R704-D711 IonicContact NH2-OD1 3.62Å; R704-D711 PolarHBondContact NH2-OD1 2.58Å; R704-D711 IonicContact NH2-OD2 3.63Å; R704-V733 HydrophobicContact CG-CB 3.98Å; R704-V733 HydrophobicContact CG-CG2 3.89Å | ||
| 705 | R | 84.2 | Confident | 85.5 | Confident | 110 Ų | 110 | 51.6 Ų | 51.6 | 42% | 0.415 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -56.7 | -38.1 | 178.4 | -69.1 | -174.9 | 178.6 | -90.7 | -5.4 | 112.6 | N707 F732 E735 E746 | R705-N707 VanDerWaalsContact C-N 3.32Å; R705-N707 PolarHBondContact O-N 2.84Å; R705-F732 HydrophobicContact CG-CD1 3.82Å; R705-F732 HydrophobicContact CG-CE1 4.02Å; R705-E735 IonicContact CZ-OE1 3.99Å; R705-E735 IonicContact CZ-OE2 2.81Å; R705-E735 IonicContact NE-OE1 3.52Å; R705-E735 PolarHBondContact NE-OE1 3.26Å; R705-E735 IonicContact NE-OE2 3.18Å; R705-E735 IonicContact NH2-OE1 3.61Å; R705-E735 PolarHBondContact NH2-OE1 3.38Å; R705-E735 IonicContact NH2-OE2 2.78Å; R705-E735 PolarHBondContact NH2-OE2 2.91Å; R705-E746 IonicContact CZ-OE1 3.61Å; R705-E746 IonicContact NH1-OE1 3.23Å; R705-E746 PolarHBondContact NH1-OE1 3.31Å; R705-E746 IonicContact NH2-OE1 2.72Å; R705-E746 PolarHBondContact NH2-OE1 2.81Å |
| 706 | E | 84.8 | Confident | 85.8 | Confident | 194 Ų | 194 | 50.4 Ų | 50.4 | 91% | 0.907 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -75.2 | -16.9 | -178.8 | -59.4 | 173.7 | -164.8 | 0 | 0 | 113.9 | R704 | R704-E706 PolarHBondContact O-N 3.15Š|
| 707 | N | 86.9 | Confident | 86 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -139.5 | 42.7 | -176.4 | -168.3 | 44.9 | 0 | 0 | 0 | 112.1 | R704 R705 V709 G710 D711 | R704-N707 PolarHBondContact NH2-ND2 2.94Å; R704-N707 CarbonylContact O-C 3.42Å; R704-N707 PolarHBondContact O-N 3.04Å; R704-N707 VanDerWaalsContact O-N 3.1Å; R705-N707 VanDerWaalsContact C-N 3.32Å; R705-N707 PolarHBondContact O-N 2.84Å; N707-V709 VanDerWaalsContact C-N 3.33Å; N707-V709 PolarHBondContact O-N 2.74Å; N707-G710 PolarHBondContact O-N 3.27Å; N707-D711 PolarHBondContact ND2-OD1 2.92Å; N707-D711 WeakPolarHBondContact O-CB 3.39Å; N707-D711 PolarHBondContact O-N 3.44Å |
| 708 | I | 88.4 | Confident | 86.1 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | -171.4 | -164.4 | 176.5 | 0 | 0 | 0 | 112.1 | V703 R704 T712 F732 F747 L750 I751 E754 | V703-I708 HydrophobicContact CB-CG1 4.45Å; R704-I708 WeakPolarHBondContact O-CA 3.29Å; R704-I708 PolarHBondContact O-N 3.44Å; R704-I708 VanDerWaalsContact O-N 3.09Å; I708-T712 WeakPolarHBondContact O-CB 3.36Å; I708-T712 PolarHBondContact O-N 2.87Å; I708-T712 VanDerWaalsContact O-N 3.13Å; I708-T712 PolarHBondContact O-OG1 2.99Å; I708-F732 HydrophobicContact CD1-CE1 4.46Å; I708-F747 HydrophobicContact CD1-CD2 3.87Å; I708-F747 HydrophobicContact CD1-CE2 4.15Å; I708-F747 HydrophobicContact CG1-CD2 4.17Å; I708-F747 HydrophobicContact CG1-CE2 4.02Å; I708-L750 HydrophobicContact CD1-CB 3.66Å; I708-L750 HydrophobicContact CD1-CD1 4.43Å; I708-I751 HydrophobicContact CD1-CB 4.14Å; I708-I751 HydrophobicContact CG1-CD1 4.16Å; I708-I751 HydrophobicContact CG2-CD1 4.01Å; I708-E754 WeakPolarHBondContact CG2-OE2 3.38Å |
| 709 | V | 86 | Confident | 86.1 | Confident | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -51 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | N707 T712 M713 I751 E754 L755 L784 L787 | N707-V709 VanDerWaalsContact C-N 3.33Å; N707-V709 PolarHBondContact O-N 2.74Å; V709-T712 PolarHBondContact O-N 3Å; V709-M713 HydrophobicContact CG1-SD 4.35Å; V709-M713 WeakPolarHBondContact O-CB 3.25Å; V709-M713 WeakPolarHBondContact O-CG 3.27Å; V709-M713 PolarHBondContact O-N 3.26Å; V709-I751 HydrophobicContact CB-CD1 4.24Å; V709-I751 HydrophobicContact CG2-CD1 3.68Å; V709-E754 HydrophobicContact CG2-CB 4.28Å; V709-E754 HydrophobicContact CG2-CG 3.79Å; V709-L755 HydrophobicContact CG1-CD2 3.83Å; V709-L755 HydrophobicContact CG2-CD2 4Å; V709-L755 HydrophobicContact CG2-CG 4.28Å; V709-L784 HydrophobicContact CG1-CD2 4.34Å; V709-L787 HydrophobicContact CG1-CD2 4.37Å |
| 710 | G | 85.4 | Confident | 86 | Confident | 28 Ų | 28 | 64 Ų | 64 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N707 M713 E714 | N707-G710 PolarHBondContact O-N 3.27Å; G710-M713 PolarHBondContact O-N 2.72Å; G710-E714 PolarHBondContact O-N 2.92Å; G710-E714 VanDerWaalsContact O-N 3.08Å |
| 711 | D | 89.1 | Confident | 85.7 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 179.2 | -67.4 | -4.6 | 0 | 0 | 0 | 110.9 | V703 R704 N707 E714 V715 | V703-D711 HydrophobicContact CB-CB 4.3Å; V703-D711 HydrophobicContact CG1-CB 4.05Å; R704-D711 WeakPolarHBondContact CB-OD2 3.4Å; R704-D711 WeakPolarHBondContact CG-OD2 3.45Å; R704-D711 IonicContact CZ-OD1 3.61Å; R704-D711 IonicContact CZ-OD2 3.98Å; R704-D711 PolarHBondContact N-OD2 3.18Å; R704-D711 IonicContact NE-OD1 3.27Å; R704-D711 IonicContact NE-OD2 2.69Å; R704-D711 PolarHBondContact NE-OD2 2.98Å; R704-D711 IonicContact NH2-OD1 3.62Å; R704-D711 PolarHBondContact NH2-OD1 2.58Å; R704-D711 IonicContact NH2-OD2 3.63Å; N707-D711 PolarHBondContact ND2-OD1 2.92Å; N707-D711 WeakPolarHBondContact O-CB 3.39Å; N707-D711 PolarHBondContact O-N 3.44Å; D711-E714 PolarHBondContact O-N 3.23Å; D711-V715 WeakPolarHBondContact O-CG2 3.24Å; D711-V715 PolarHBondContact O-N 3.26Å |
| 712 | T | 88.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.7 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | V703 I708 V709 E714 V715 L716 F747 L787 I791 | V703-T712 WeakPolarHBondContact CG1-OG1 3.23Å; I708-T712 WeakPolarHBondContact O-CB 3.36Å; I708-T712 PolarHBondContact O-N 2.87Å; I708-T712 VanDerWaalsContact O-N 3.13Å; I708-T712 PolarHBondContact O-OG1 2.99Å; V709-T712 PolarHBondContact O-N 3Å; T712-E714 VanDerWaalsContact C-N 3.34Å; T712-E714 PolarHBondContact O-N 3.12Å; T712-V715 PolarHBondContact O-N 3.35Å; T712-L716 HydrophobicContact CG2-CD1 3.66Å; T712-L716 HydrophobicContact CG2-CG 4.28Å; T712-L716 WeakPolarHBondContact O-CG 3.07Å; T712-L716 PolarHBondContact O-N 2.89Å; T712-F747 HydrophobicContact CG2-CZ 3.97Å; T712-F747 WeakPolarHBondContact OG1-CE2 3.41Å; T712-L787 HydrophobicContact CG2-CD1 4.21Å; T712-I791 HydrophobicContact CG2-CD1 3.96Å |
| 713 | M | 85.1 | Confident | 85.2 | Confident | 29 Ų | 29 | 66 Ų | 66 | 14% | 0.143 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 176.6 | -84.1 | -173.3 | 52.3 | 0 | 0 | 112.7 | V709 G710 V715 L716 R717 L784 L787 | V709-M713 HydrophobicContact CG1-SD 4.35Å; V709-M713 WeakPolarHBondContact O-CB 3.25Å; V709-M713 WeakPolarHBondContact O-CG 3.27Å; V709-M713 PolarHBondContact O-N 3.26Å; G710-M713 PolarHBondContact O-N 2.72Å; M713-V715 VanDerWaalsContact C-N 3.31Å; M713-V715 PolarHBondContact O-N 2.66Å; M713-L716 PolarHBondContact O-N 3.01Å; M713-R717 VanDerWaalsContact CE-CZ 3.46Å; M713-R717 WeakPolarHBondContact O-CB 3.23Å; M713-R717 WeakPolarHBondContact O-CG 3.47Å; M713-R717 PolarHBondContact O-N 2.85Å; M713-L784 HydrophobicContact SD-CD2 4.09Å; M713-L784 HydrophobicContact SD-CG 4.06Å; M713-L787 HydrophobicContact CG-CD1 4.11Å; M713-L787 HydrophobicContact CG-CD2 3.39Å; M713-L787 HydrophobicContact CG-CG 4.25Å; M713-L787 HydrophobicContact SD-CD2 4.07Å |
| 714 | E | 86.4 | Confident | 85.1 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | -178.5 | -165.2 | -173.5 | 156.1 | 0 | 0 | 111.5 | G710 D711 T712 K718 | G710-E714 PolarHBondContact O-N 2.92Å; G710-E714 VanDerWaalsContact O-N 3.08Å; D711-E714 PolarHBondContact O-N 3.23Å; T712-E714 VanDerWaalsContact C-N 3.34Å; T712-E714 PolarHBondContact O-N 3.12Å; E714-K718 WeakPolarHBondContact O-CG 3.39Å; E714-K718 PolarHBondContact O-N 2.64Å; E714-K718 IonicContact OE1-NZ 3.19Å; E714-K718 PolarHBondContact OE1-NZ 3.12Å |
| 715 | V | 85.5 | Confident | 84.9 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.4 | -46.4 | 178.7 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | L701 D711 T712 M713 R717 K718 S719 | L701-V715 HydrophobicContact CD2-CB 4.03Å; L701-V715 HydrophobicContact CD2-CG1 3.62Å; D711-V715 WeakPolarHBondContact O-CG2 3.24Å; D711-V715 PolarHBondContact O-N 3.26Å; T712-V715 PolarHBondContact O-N 3.35Å; M713-V715 VanDerWaalsContact C-N 3.31Å; M713-V715 PolarHBondContact O-N 2.66Å; V715-R717 PolarHBondContact O-N 3.41Å; V715-K718 PolarHBondContact O-N 3.1Å; V715-S719 PolarHBondContact O-N 2.75Å; V715-S719 PolarHBondContact O-OG 3.23Å |
| 716 | L | 85.3 | Confident | 85.1 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.6 | -34.7 | -177.4 | -64.2 | 175 | 0 | 0 | 0 | 112 | L699 L701 T712 M713 K718 S719 Y724 L787 V790 I791 | L699-L716 HydrophobicContact CD2-CD2 4.46Å; L701-L716 HydrophobicContact CD2-CD2 4.09Å; L701-L716 HydrophobicContact CD2-CG 4.4Å; T712-L716 HydrophobicContact CG2-CD1 3.66Å; T712-L716 HydrophobicContact CG2-CG 4.28Å; T712-L716 WeakPolarHBondContact O-CG 3.07Å; T712-L716 PolarHBondContact O-N 2.89Å; M713-L716 PolarHBondContact O-N 3.01Å; L716-K718 VanDerWaalsContact C-N 3.26Å; L716-K718 PolarHBondContact O-N 3.34Å; L716-S719 WeakPolarHBondContact O-CB 3.34Å; L716-S719 PolarHBondContact O-N 3.04Å; L716-S719 VanDerWaalsContact O-N 3.11Å; L716-Y724 HydrophobicContact CB-CE1 4.44Å; L716-Y724 HydrophobicContact CD2-CD1 4.16Å; L716-Y724 HydrophobicContact CD2-CE1 3.64Å; L716-Y724 PolarHBondContact O-OH 2.74Å; L716-L787 HydrophobicContact CD1-CD1 3.37Å; L716-V790 HydrophobicContact CD1-CG1 4.1Å; L716-V790 HydrophobicContact CD2-CG1 4.37Å; L716-I791 HydrophobicContact CD1-CD1 4.14Å |
| 717 | R | 82.4 | Confident | 85.1 | Confident | 149 Ų | 149 | 50.7 Ų | 50.7 | 56% | 0.562 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61 | -33.3 | 173.2 | -81.9 | -179.8 | 170.8 | 167.1 | -1.5 | 113.1 | M713 V715 S719 D783 | M713-R717 VanDerWaalsContact CE-CZ 3.46Å; M713-R717 WeakPolarHBondContact O-CB 3.23Å; M713-R717 WeakPolarHBondContact O-CG 3.47Å; M713-R717 PolarHBondContact O-N 2.85Å; V715-R717 PolarHBondContact O-N 3.41Å; R717-S719 VanDerWaalsContact C-N 3.35Å; R717-D783 IonicContact CZ-OD2 3.61Å; R717-D783 IonicContact NE-OD2 3.21Å; R717-D783 PolarHBondContact NE-OD2 3.34Å; R717-D783 IonicContact NH2-OD2 2.93Å; R717-D783 PolarHBondContact NH2-OD2 3.04Å |
| 718 | K | 83 | Confident | 85.2 | Confident | 156 Ų | 156 | 47.9 Ų | 47.9 | 68% | 0.678 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -82.4 | -13.2 | 177.9 | -69.1 | 171.1 | -180 | 170.7 | 0 | 113 | E714 V715 L716 | E714-K718 WeakPolarHBondContact O-CG 3.39Å; E714-K718 PolarHBondContact O-N 2.64Å; E714-K718 IonicContact OE1-NZ 3.19Å; E714-K718 PolarHBondContact OE1-NZ 3.12Å; V715-K718 PolarHBondContact O-N 3.1Å; L716-K718 VanDerWaalsContact C-N 3.26Å; L716-K718 PolarHBondContact O-N 3.34Å |
| 719 | S | 83.9 | Confident | 85 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | trans | -84.5 | 141.5 | -175 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | V715 L716 R717 | V715-S719 PolarHBondContact O-N 2.75Å; V715-S719 PolarHBondContact O-OG 3.23Å; L716-S719 WeakPolarHBondContact O-CB 3.34Å; L716-S719 PolarHBondContact O-N 3.04Å; L716-S719 VanDerWaalsContact O-N 3.11Å; R717-S719 VanDerWaalsContact C-N 3.35Å | ||
| 720 | K | 82.9 | Confident | 85.1 | Confident | 134 Ų | 134 | 52 Ų | 52 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | trans | -83.8 | 159.3 | 174 | -61.9 | 175.7 | -177.9 | 170.6 | 0 | 110 | V722 D723 | K720-V722 PolarHBondContact O-N 3.11Å; K720-V722 VanDerWaalsContact O-N 3.08Å; K720-D723 WeakPolarHBondContact CB-OD2 3.44Å; K720-D723 PolarHBondContact N-OD2 3.06Å; K720-D723 VanDerWaalsContact O-CB 3.3Å; K720-D723 WeakPolarHBondContact O-CB 3.44Å; K720-D723 PolarHBondContact O-N 3.16Å | ||
| 721 | N | 80.1 | Confident | 85 | Confident | 98 Ų | 98 | 53.5 Ų | 53.5 | 52% | 0.524 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31 | -180 | -69.9 | -9.7 | 0 | 0 | 0 | 114 | D723 | N721-D723 VanDerWaalsContact C-N 3.29Š|
| 722 | V | 79.8 | Confident | 84.8 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 38% | 0.376 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -28.3 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | K720 Y724 K725 | K720-V722 PolarHBondContact O-N 3.11Å; K720-V722 VanDerWaalsContact O-N 3.08Å; V722-Y724 VanDerWaalsContact C-N 3.3Å; V722-Y724 PolarHBondContact O-N 3.21Å; V722-K725 PolarHBondContact O-N 3.02Å |
| 723 | D | 83.9 | Confident | 84.5 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -69.1 | -29.8 | -178.5 | -60.2 | -43.4 | 0 | 0 | 0 | 111.8 | L699 K720 N721 K725 K726 | L699-D723 HydrophobicContact CD1-CB 4.48Å; K720-D723 WeakPolarHBondContact CB-OD2 3.44Å; K720-D723 PolarHBondContact N-OD2 3.06Å; K720-D723 VanDerWaalsContact O-CB 3.3Å; K720-D723 WeakPolarHBondContact O-CB 3.44Å; K720-D723 PolarHBondContact O-N 3.16Å; N721-D723 VanDerWaalsContact C-N 3.29Å; D723-K725 PolarHBondContact O-N 3.13Å; D723-K726 HydrophobicContact CB-CD 4.42Å; D723-K726 WeakPolarHBondContact O-CB 3.16Å; D723-K726 PolarHBondContact O-N 3.13Å; D723-K726 VanDerWaalsContact OD1-CE 3.26Å; D723-K726 WeakPolarHBondContact OD1-CE 3.45Å; D723-K726 IonicContact OD1-NZ 3.57Å; D723-K726 PolarHBondContact OD1-NZ 2.6Å |
| 724 | Y | 86.1 | Confident | 84.2 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -63.7 | -20 | 176.2 | -60 | -44.8 | 0 | 0 | 0 | 114.4 | L699 L716 V722 V790 K912 V913 | L699-Y724 HydrophobicContact CD2-CD1 4.32Å; L716-Y724 HydrophobicContact CB-CE1 4.44Å; L716-Y724 HydrophobicContact CD2-CD1 4.16Å; L716-Y724 HydrophobicContact CD2-CE1 3.64Å; L716-Y724 PolarHBondContact O-OH 2.74Å; V722-Y724 VanDerWaalsContact C-N 3.3Å; V722-Y724 PolarHBondContact O-N 3.21Å; Y724-V790 HydrophobicContact CD1-CG1 4.19Å; Y724-V790 HydrophobicContact CE1-CG1 4.13Å; Y724-K912 HydrophobicContact CD2-CB 4.04Å; Y724-K912 HydrophobicContact CE2-CB 4.33Å; Y724-K912 HydrophobicContact CE2-CD 4.06Å; Y724-V913 HydrophobicContact CG-CG2 4.31Å |
| 725 | K | 85.4 | Confident | 83.8 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -90 | -4.1 | 177.7 | -63.9 | -173.7 | 170.1 | -168.3 | 0 | 112.8 | M672 A675 V722 D723 | M672-K725 VanDerWaalsContact CA-O 3.25Å; M672-K725 WeakPolarHBondContact CA-O 2.81Å; M672-K725 VanDerWaalsContact CG-O 3.25Å; M672-K725 WeakPolarHBondContact CG-O 3.46Å; A675-K725 HydrophobicContact CB-CB 4.14Å; V722-K725 PolarHBondContact O-N 3.02Å; D723-K725 PolarHBondContact O-N 3.13Å |
| 726 | K | 87.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -77 | 158.1 | 178.1 | -65.9 | 175.3 | 178.5 | 174.6 | 0 | 111 | A675 N696 L699 D723 L728 | A675-K726 HydrophobicContact CB-CG 4.01Å; N696-K726 WeakPolarHBondContact O-CD 3.15Å; N696-K726 WeakPolarHBondContact O-CE 3.32Å; N696-K726 PolarHBondContact O-NZ 3.42Å; L699-K726 HydrophobicContact CB-CB 4.34Å; D723-K726 HydrophobicContact CB-CD 4.42Å; D723-K726 WeakPolarHBondContact O-CB 3.16Å; D723-K726 PolarHBondContact O-N 3.13Å; D723-K726 VanDerWaalsContact OD1-CE 3.26Å; D723-K726 WeakPolarHBondContact OD1-CE 3.45Å; D723-K726 IonicContact OD1-NZ 3.57Å; D723-K726 PolarHBondContact OD1-NZ 2.6Å; K726-L728 PolarHBondContact O-N 2.89Å |
| 727 | P | 85.4 | Confident | 81.5 | Confident | 43 Ų | 43 | 67.7 Ų | 67.7 | 28% | 0.279 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 127.5 | 170.1 | -25.9 | 34.9 | 0 | 0 | 0 | 111.3 | V676 C698 L699 | V676-P727 HydrophobicContact CG2-CG 3.96Å; C698-P727 WeakPolarHBondContact CA-O 3.36Å; C698-P727 WeakPolarHBondContact CB-O 3.14Å; L699-P727 PolarHBondContact N-O 3.08Å |
| 728 | L | 88.1 | Confident | 80.5 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 134.6 | 179.1 | 179.2 | 65.3 | 0 | 0 | 0 | 110 | L699 L701 K726 V730 R744 F748 | L699-L728 HydrophobicContact CD2-CD1 4.09Å; L699-L728 HydrophobicContact CG-CD1 4.18Å; L701-L728 HydrophobicContact CD1-CD1 3.72Å; L701-L728 HydrophobicContact CG-CD1 3.83Å; K726-L728 PolarHBondContact O-N 2.89Å; L728-V730 HydrophobicContact CD1-CG2 4.39Å; L728-V730 HydrophobicContact CD2-CG2 4.3Å; L728-V730 HydrophobicContact CG-CG2 4.19Å; L728-R744 HydrophobicContact CD2-CG 4.37Å; L728-R744 HydrophobicContact CG-CG 4.49Å; L728-R744 WeakPolarHBondContact O-CD 3.05Å; L728-F748 HydrophobicContact CD2-CE2 3.87Å; L728-F748 HydrophobicContact CD2-CZ 3.6Å |
| 729 | K | 86.3 | Confident | 79.3 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 125.2 | 170.3 | -175.9 | 176 | -178.8 | 179 | 0 | 109.5 | L699 I700 L701 I731 D739 | L699-K729 PolarHBondContact O-N 2.8Å; I700-K729 WeakPolarHBondContact CA-O 3.49Å; I700-K729 HydrophobicContact CG1-CB 4.47Å; L701-K729 PolarHBondContact N-O 3.5Å; K729-I731 HydrophobicContact CG-CG1 4.47Å; K729-D739 WeakPolarHBondContact CA-OD2 3.32Å; K729-D739 HydrophobicContact CG-CB 4.46Å |
| 730 | V | 86.3 | Confident | 78.1 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.024 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 136.4 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | L701 V703 L728 D739 V743 R744 F747 | L701-V730 HydrophobicContact CB-CG2 4.4Å; L701-V730 WeakPolarHBondContact O-CA 3.31Å; V703-V730 HydrophobicContact CG2-CG1 4.14Å; L728-V730 HydrophobicContact CD1-CG2 4.39Å; L728-V730 HydrophobicContact CD2-CG2 4.3Å; L728-V730 HydrophobicContact CG-CG2 4.19Å; V730-D739 PolarHBondContact N-OD2 3.47Å; V730-D739 VanDerWaalsContact N-OD2 3.15Å; V730-V743 HydrophobicContact CB-CG1 4.18Å; V730-V743 HydrophobicContact CG1-CG1 4.24Å; V730-R744 HydrophobicContact CB-CG 4.45Å; V730-R744 HydrophobicContact CG2-CG 3.93Å; V730-F747 HydrophobicContact CB-CB 4.46Å; V730-F747 HydrophobicContact CG1-CB 3.89Å; V730-F747 HydrophobicContact CG1-CD2 4.03Å; V730-F747 HydrophobicContact CG1-CG 3.97Å; V730-F747 HydrophobicContact CG2-CB 4.18Å; V730-F747 HydrophobicContact CG2-CD1 4.02Å; V730-F747 HydrophobicContact CG2-CG 4.01Å |
| 731 | I | 84.8 | Confident | 77.2 | Confident | 59 Ų | 59 | 59 Ų | 59 | 30% | 0.303 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 117.1 | 179.7 | -54.9 | 177.3 | 0 | 0 | 0 | 108.6 | I700 L701 I702 V703 K729 | I700-I731 HydrophobicContact CG2-CD1 3.83Å; I700-I731 HydrophobicContact CG2-CG1 4.39Å; L701-I731 PolarHBondContact O-N 3.1Å; I702-I731 WeakPolarHBondContact CA-O 3.5Å; I702-I731 HydrophobicContact CG1-CB 4.47Å; V703-I731 PolarHBondContact N-O 3.19Å; K729-I731 HydrophobicContact CG-CG1 4.47Å |
| 732 | F | 84.7 | Confident | 76.7 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.3 | 168.5 | -74.7 | -71.5 | 0 | 0 | 0 | 110 | V703 R705 I708 G734 E735 V743 F747 L750 | V703-F732 HydrophobicContact CG2-CD1 3.77Å; V703-F732 HydrophobicContact CG2-CE1 3.64Å; V703-F732 HydrophobicContact CG2-CZ 4.34Å; V703-F732 WeakPolarHBondContact O-CA 3.42Å; R705-F732 HydrophobicContact CG-CD1 3.82Å; R705-F732 HydrophobicContact CG-CE1 4.02Å; I708-F732 HydrophobicContact CD1-CE1 4.46Å; F732-G734 PolarHBondContact O-N 3.43Å; F732-E735 HydrophobicContact CB-CB 4.22Å; F732-E735 HydrophobicContact CB-CG 4.18Å; F732-E735 PolarHBondContact O-N 3.22Å; F732-V743 HydrophobicContact CD2-CG1 3.93Å; F732-V743 HydrophobicContact CE2-CG1 4.02Å; F732-F747 HydrophobicContact CZ-CB 4.41Å; F732-L750 HydrophobicContact CZ-CD1 4.14Å |
| 733 | V | 82.8 | Confident | 76.7 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 53% | 0.527 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 121.6 | -177.9 | 179 | 0 | 0 | 0 | 0 | 109.9 | I702 V703 R704 | I702-V733 HydrophobicContact CG2-CG2 3.58Å; V703-V733 PolarHBondContact O-N 3.49Å; V703-V733 VanDerWaalsContact O-N 3.07Å; R704-V733 HydrophobicContact CG-CB 3.98Å; R704-V733 HydrophobicContact CG-CG2 3.89Å |
| 734 | G | 77.1 | Confident | 76.7 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 87% | 0.866 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | 4.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F732 | F732-G734 PolarHBondContact O-N 3.43Š|
| 735 | E | 79.3 | Confident | 76.4 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | trans | -115.8 | 123 | -179.4 | -65 | 177.5 | -157.8 | 0 | 0 | 111.7 | R705 F732 A737 | R705-E735 IonicContact CZ-OE1 3.99Å; R705-E735 IonicContact CZ-OE2 2.81Å; R705-E735 IonicContact NE-OE1 3.52Å; R705-E735 PolarHBondContact NE-OE1 3.26Å; R705-E735 IonicContact NE-OE2 3.18Å; R705-E735 IonicContact NH2-OE1 3.61Å; R705-E735 PolarHBondContact NH2-OE1 3.38Å; R705-E735 IonicContact NH2-OE2 2.78Å; R705-E735 PolarHBondContact NH2-OE2 2.91Å; F732-E735 HydrophobicContact CB-CB 4.22Å; F732-E735 HydrophobicContact CB-CG 4.18Å; F732-E735 PolarHBondContact O-N 3.22Å; E735-A737 VanDerWaalsContact C-N 3.31Å; E735-A737 PolarHBondContact O-N 3.11Å | ||
| 736 | D | 59.8 | Low | 76.2 | Confident | 185 Ų | 185 | 55.1 Ų | 55.1 | 99% | 0.989 | 34% | 0.336 | S | S | * | . | trans | -82.7 | 73.8 | 172.8 | -77.6 | -34.2 | 0 | 0 | 0 | 110.3 | ||||
| 737 | A | 63.4 | Low | 76.2 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | trans | -112 | 133 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E735 V743 | E735-A737 VanDerWaalsContact C-N 3.31Å; E735-A737 PolarHBondContact O-N 3.11Å; A737-V743 HydrophobicContact CB-CG2 3.9Å | ||
| 738 | V | 59.6 | Low | 76.3 | Confident | 137 Ų | 137 | 52.8 Ų | 52.8 | 83% | 0.83 | 32% | 0.321 | S | S | * | . | trans | -88.4 | 115.6 | 170.6 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | A740 | V738-A740 VanDerWaalsContact C-N 3.33Å; V738-A740 PolarHBondContact O-N 3.49Å | ||
| 739 | D | 59.2 | Low | 76 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.171 | 33% | 0.33 | C | S | . | . | trans | -68.7 | 85.8 | 179.9 | -174.2 | 1.7 | 0 | 0 | 0 | 111.7 | K729 V730 G741 R744 | K729-D739 WeakPolarHBondContact CA-OD2 3.32Å; K729-D739 HydrophobicContact CG-CB 4.46Å; V730-D739 PolarHBondContact N-OD2 3.47Å; V730-D739 VanDerWaalsContact N-OD2 3.15Å; D739-G741 VanDerWaalsContact C-N 3.31Å; D739-G741 PolarHBondContact OD1-N 3.19Å; D739-R744 IonicContact OD1-NE 2.77Å; D739-R744 PolarHBondContact OD1-NE 2.57Å; D739-R744 VanDerWaalsContact OD2-CG 3.32Å; D739-R744 WeakPolarHBondContact OD2-CG 3.36Å; D739-R744 IonicContact OD2-NE 3.51Å | ||
| 740 | A | 58 | Low | 75.9 | Confident | 88 Ų | 88 | 53.1 Ų | 53.1 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -92.1 | 16.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V738 | V738-A740 VanDerWaalsContact C-N 3.33Å; V738-A740 PolarHBondContact O-N 3.49Å |
| 741 | G | 63.6 | Low | 76 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 108 | -28.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D739 R744 K745 | D739-G741 VanDerWaalsContact C-N 3.31Å; D739-G741 PolarHBondContact OD1-N 3.19Å; G741-R744 PolarHBondContact O-N 2.82Å; G741-K745 PolarHBondContact O-N 3.19Å; G741-K745 VanDerWaalsContact O-N 3.07Å |
| 742 | G | 71 | Confident | 76 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R744 K745 E746 C1015 | G742-R744 PolarHBondContact O-N 3.43Å; G742-K745 PolarHBondContact O-N 3.3Å; G742-E746 PolarHBondContact O-N 3.44Å; G742-C1015 WeakPolarHBondContact CA-O 3.05Å |
| 743 | V | 79.6 | Confident | 76 | Confident | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 178.3 | -176 | 0 | 0 | 0 | 0 | 111.4 | V730 F732 A737 E746 F747 | V730-V743 HydrophobicContact CB-CG1 4.18Å; V730-V743 HydrophobicContact CG1-CG1 4.24Å; F732-V743 HydrophobicContact CD2-CG1 3.93Å; F732-V743 HydrophobicContact CE2-CG1 4.02Å; A737-V743 HydrophobicContact CB-CG2 3.9Å; V743-E746 PolarHBondContact O-N 2.95Å; V743-F747 WeakPolarHBondContact O-CB 3.34Å; V743-F747 PolarHBondContact O-N 3.27Å |
| 744 | R | 83.6 | Confident | 76.1 | Confident | 62 Ų | 62 | 56.3 Ų | 56.3 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 173.9 | -75.9 | 178.8 | -71.1 | 157.5 | 2 | 112.2 | L728 V730 D739 G741 G742 E746 F747 F748 N798 | L728-R744 HydrophobicContact CD2-CG 4.37Å; L728-R744 HydrophobicContact CG-CG 4.49Å; L728-R744 WeakPolarHBondContact O-CD 3.05Å; V730-R744 HydrophobicContact CB-CG 4.45Å; V730-R744 HydrophobicContact CG2-CG 3.93Å; D739-R744 IonicContact OD1-NE 2.77Å; D739-R744 PolarHBondContact OD1-NE 2.57Å; D739-R744 VanDerWaalsContact OD2-CG 3.32Å; D739-R744 WeakPolarHBondContact OD2-CG 3.36Å; D739-R744 IonicContact OD2-NE 3.51Å; G741-R744 PolarHBondContact O-N 2.82Å; G742-R744 PolarHBondContact O-N 3.43Å; R744-E746 VanDerWaalsContact C-N 3.32Å; R744-E746 PolarHBondContact O-N 2.98Å; R744-F747 WeakPolarHBondContact O-CB 3.3Å; R744-F747 PolarHBondContact O-N 3.46Å; R744-F748 WeakPolarHBondContact O-CD2 3.5Å; R744-F748 PolarHBondContact O-N 3.33Å; R744-N798 PolarHBondContact NH1-OD1 3.27Å |
| 745 | K | 78.8 | Confident | 76.4 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 177.8 | -171.9 | -174.9 | 178 | -155.8 | 0 | 110.8 | G741 G742 F748 L749 T800 T982 T1014 N1017 | G741-K745 PolarHBondContact O-N 3.19Å; G741-K745 VanDerWaalsContact O-N 3.07Å; G742-K745 PolarHBondContact O-N 3.3Å; K745-F748 PolarHBondContact O-N 3.4Å; K745-L749 HydrophobicContact CG-CD1 4.39Å; K745-L749 WeakPolarHBondContact O-CG 3.31Å; K745-L749 PolarHBondContact O-N 3.35Å; K745-L749 VanDerWaalsContact O-N 3.1Å; K745-T800 HydrophobicContact CB-CG2 4.48Å; K745-T800 HydrophobicContact CG-CG2 4.21Å; K745-T982 PolarHBondContact NZ-O 3Å; K745-T1014 PolarHBondContact NZ-O 2.94Å; K745-N1017 PolarHBondContact NZ-OD1 2.79Å |
| 746 | E | 81.6 | Confident | 76.6 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -47.7 | 176.3 | -167.6 | 176.6 | 167.2 | 0 | 0 | 112.2 | R705 G742 V743 R744 F748 L749 L750 C1015 | R705-E746 IonicContact CZ-OE1 3.61Å; R705-E746 IonicContact NH1-OE1 3.23Å; R705-E746 PolarHBondContact NH1-OE1 3.31Å; R705-E746 IonicContact NH2-OE1 2.72Å; R705-E746 PolarHBondContact NH2-OE1 2.81Å; G742-E746 PolarHBondContact O-N 3.44Å; V743-E746 PolarHBondContact O-N 2.95Å; R744-E746 VanDerWaalsContact C-N 3.32Å; R744-E746 PolarHBondContact O-N 2.98Å; E746-F748 PolarHBondContact O-N 3.48Å; E746-L749 PolarHBondContact O-N 3Å; E746-L750 HydrophobicContact CG-CD1 4.05Å; E746-L750 HydrophobicContact CG-CG 4.49Å; E746-L750 WeakPolarHBondContact O-CG 3.5Å; E746-L750 PolarHBondContact O-N 3.11Å; E746-C1015 VanDerWaalsContact CB-SG 3.57Å; E746-C1015 PolarHBondContact OE2-SG 3.36Å; E746-C1015 VanDerWaalsContact OE2-SG 3.36Å |
| 747 | F | 87.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.2 | -49.4 | 176.7 | 166.8 | -98.8 | 0 | 0 | 0 | 112.1 | L701 V703 I708 T712 V730 F732 V743 R744 L749 L750 I751 I791 | L701-F747 HydrophobicContact CD1-CE1 3.79Å; L701-F747 HydrophobicContact CD1-CE2 4.36Å; L701-F747 HydrophobicContact CD1-CZ 3.62Å; V703-F747 HydrophobicContact CG1-CE2 4.27Å; V703-F747 HydrophobicContact CG2-CD2 4.18Å; V703-F747 HydrophobicContact CG2-CE2 4.41Å; I708-F747 HydrophobicContact CD1-CD2 3.87Å; I708-F747 HydrophobicContact CD1-CE2 4.15Å; I708-F747 HydrophobicContact CG1-CD2 4.17Å; I708-F747 HydrophobicContact CG1-CE2 4.02Å; T712-F747 HydrophobicContact CG2-CZ 3.97Å; T712-F747 WeakPolarHBondContact OG1-CE2 3.41Å; V730-F747 HydrophobicContact CB-CB 4.46Å; V730-F747 HydrophobicContact CG1-CB 3.89Å; V730-F747 HydrophobicContact CG1-CD2 4.03Å; V730-F747 HydrophobicContact CG1-CG 3.97Å; V730-F747 HydrophobicContact CG2-CB 4.18Å; V730-F747 HydrophobicContact CG2-CD1 4.02Å; V730-F747 HydrophobicContact CG2-CG 4.01Å; F732-F747 HydrophobicContact CZ-CB 4.41Å; V743-F747 WeakPolarHBondContact O-CB 3.34Å; V743-F747 PolarHBondContact O-N 3.27Å; R744-F747 WeakPolarHBondContact O-CB 3.3Å; R744-F747 PolarHBondContact O-N 3.46Å; F747-L749 VanDerWaalsContact C-N 3.34Å; F747-L749 PolarHBondContact O-N 3.07Å; F747-L750 PolarHBondContact O-N 3.24Å; F747-I751 HydrophobicContact CE1-CG2 4.19Å; F747-I751 HydrophobicContact CE2-CB 4.36Å; F747-I751 HydrophobicContact CZ-CB 4.36Å; F747-I751 HydrophobicContact CZ-CG1 4.44Å; F747-I751 HydrophobicContact CZ-CG2 4.23Å; F747-I751 WeakPolarHBondContact O-CB 3.44Å; F747-I751 WeakPolarHBondContact O-CG2 3.38Å; F747-I751 PolarHBondContact O-N 3.42Å; F747-I791 HydrophobicContact CE1-CD1 4.28Å; F747-I791 HydrophobicContact CZ-CD1 4.23Å |
| 748 | F | 87.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -39 | 179.6 | -76.2 | -61.3 | 0 | 0 | 0 | 112.7 | L728 R744 K745 E746 I751 M752 I791 L794 A795 N798 T800 V802 | L728-F748 HydrophobicContact CD2-CE2 3.87Å; L728-F748 HydrophobicContact CD2-CZ 3.6Å; R744-F748 WeakPolarHBondContact O-CD2 3.5Å; R744-F748 PolarHBondContact O-N 3.33Å; K745-F748 PolarHBondContact O-N 3.4Å; E746-F748 PolarHBondContact O-N 3.48Å; F748-I751 WeakPolarHBondContact O-CG2 3.21Å; F748-M752 WeakPolarHBondContact O-CB 3.44Å; F748-M752 WeakPolarHBondContact O-CG 3.36Å; F748-M752 PolarHBondContact O-N 2.93Å; F748-M752 VanDerWaalsContact O-N 3.12Å; F748-I791 HydrophobicContact CD1-CG2 4Å; F748-I791 HydrophobicContact CE1-CG2 4.19Å; F748-L794 HydrophobicContact CE1-CB 3.95Å; F748-L794 HydrophobicContact CZ-CB 3.87Å; F748-A795 HydrophobicContact CD1-CB 3.97Å; F748-A795 HydrophobicContact CE1-CB 3.96Å; F748-A795 HydrophobicContact CG-CB 4.37Å; F748-A795 HydrophobicContact CZ-CB 4.35Å; F748-N798 HydrophobicContact CE2-CB 4.37Å; F748-T800 HydrophobicContact CB-CG2 4.07Å; F748-T800 HydrophobicContact CD2-CG2 3.8Å; F748-T800 HydrophobicContact CG-CG2 4.26Å; F748-V802 HydrophobicContact CB-CG1 3.99Å |
| 749 | L | 81.3 | Confident | 79.1 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 24% | 0.236 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 176.3 | -69.7 | 171.9 | 0 | 0 | 0 | 111.8 | K745 E746 F747 K753 | K745-L749 HydrophobicContact CG-CD1 4.39Å; K745-L749 WeakPolarHBondContact O-CG 3.31Å; K745-L749 PolarHBondContact O-N 3.35Å; K745-L749 VanDerWaalsContact O-N 3.1Å; E746-L749 PolarHBondContact O-N 3Å; F747-L749 VanDerWaalsContact C-N 3.34Å; F747-L749 PolarHBondContact O-N 3.07Å; L749-K753 VanDerWaalsContact O-CB 3.26Å; L749-K753 WeakPolarHBondContact O-CB 3.43Å; L749-K753 PolarHBondContact O-N 3.38Å; L749-K753 VanDerWaalsContact O-N 3.1Å |
| 750 | L | 85.3 | Confident | 79.9 | Confident | 67 Ų | 67 | 46.7 Ų | 46.7 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.9 | -49.9 | -179.8 | -69.6 | 174.2 | 0 | 0 | 0 | 112 | I708 F732 E746 F747 M752 K753 E754 | I708-L750 HydrophobicContact CD1-CB 3.66Å; I708-L750 HydrophobicContact CD1-CD1 4.43Å; F732-L750 HydrophobicContact CZ-CD1 4.14Å; E746-L750 HydrophobicContact CG-CD1 4.05Å; E746-L750 HydrophobicContact CG-CG 4.49Å; E746-L750 WeakPolarHBondContact O-CG 3.5Å; E746-L750 PolarHBondContact O-N 3.11Å; F747-L750 PolarHBondContact O-N 3.24Å; L750-M752 PolarHBondContact O-N 3.21Å; L750-K753 PolarHBondContact O-N 2.98Å; L750-E754 PolarHBondContact O-N 2.9Å |
| 751 | I | 87.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | -176.7 | -168.4 | 62.7 | 0 | 0 | 0 | 111.5 | I708 V709 F747 F748 E754 L755 I791 | I708-I751 HydrophobicContact CD1-CB 4.14Å; I708-I751 HydrophobicContact CG1-CD1 4.16Å; I708-I751 HydrophobicContact CG2-CD1 4.01Å; V709-I751 HydrophobicContact CB-CD1 4.24Å; V709-I751 HydrophobicContact CG2-CD1 3.68Å; F747-I751 HydrophobicContact CE1-CG2 4.19Å; F747-I751 HydrophobicContact CE2-CB 4.36Å; F747-I751 HydrophobicContact CZ-CB 4.36Å; F747-I751 HydrophobicContact CZ-CG1 4.44Å; F747-I751 HydrophobicContact CZ-CG2 4.23Å; F747-I751 WeakPolarHBondContact O-CB 3.44Å; F747-I751 WeakPolarHBondContact O-CG2 3.38Å; F747-I751 PolarHBondContact O-N 3.42Å; F748-I751 WeakPolarHBondContact O-CG2 3.21Å; I751-E754 PolarHBondContact O-N 3.13Å; I751-L755 HydrophobicContact CD1-CD1 4.07Å; I751-L755 HydrophobicContact CD1-CG 4.24Å; I751-L755 HydrophobicContact CG1-CD1 3.71Å; I751-L755 HydrophobicContact CG1-CG 4.27Å; I751-L755 VanDerWaalsContact O-CB 3.31Å; I751-L755 WeakPolarHBondContact O-CB 3.3Å; I751-L755 VanDerWaalsContact O-CG 3.22Å; I751-L755 WeakPolarHBondContact O-CG 3.28Å; I751-L755 PolarHBondContact O-N 3.17Å; I751-I791 HydrophobicContact CG2-CG2 3.9Å |
| 752 | M | 85.8 | Confident | 81.9 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.9 | -41.2 | 178.9 | -70.8 | -62.6 | -63 | 0 | 0 | 111.7 | F748 L750 E754 L755 L756 I791 V802 L804 | F748-M752 WeakPolarHBondContact O-CB 3.44Å; F748-M752 WeakPolarHBondContact O-CG 3.36Å; F748-M752 PolarHBondContact O-N 2.93Å; F748-M752 VanDerWaalsContact O-N 3.12Å; L750-M752 PolarHBondContact O-N 3.21Å; M752-E754 VanDerWaalsContact C-N 3.27Å; M752-E754 PolarHBondContact O-N 2.95Å; M752-L755 PolarHBondContact O-N 3.39Å; M752-L756 HydrophobicContact CE-CD1 4Å; M752-L756 HydrophobicContact CE-CG 4.38Å; M752-L756 WeakPolarHBondContact O-CB 3.37Å; M752-L756 VanDerWaalsContact O-CG 3.27Å; M752-L756 WeakPolarHBondContact O-CG 3.44Å; M752-L756 PolarHBondContact O-N 3.08Å; M752-I791 HydrophobicContact CG-CG2 4.27Å; M752-I791 HydrophobicContact SD-CG2 3.66Å; M752-V802 HydrophobicContact CG-CB 4.12Å; M752-V802 HydrophobicContact CG-CG1 3.95Å; M752-L804 HydrophobicContact CE-CD1 3.77Å; M752-L804 HydrophobicContact CE-CD2 3.79Å; M752-L804 HydrophobicContact CE-CG 3.56Å |
| 753 | K | 83.5 | Confident | 82.8 | Confident | 167 Ų | 167 | 43.5 Ų | 43.5 | 73% | 0.726 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.4 | -41.5 | 174.8 | -177.1 | 178.9 | 179.4 | -179.7 | 0 | 111.4 | L749 L750 D757 | L749-K753 VanDerWaalsContact O-CB 3.26Å; L749-K753 WeakPolarHBondContact O-CB 3.43Å; L749-K753 PolarHBondContact O-N 3.38Å; L749-K753 VanDerWaalsContact O-N 3.1Å; L750-K753 PolarHBondContact O-N 2.98Å; K753-D757 PolarHBondContact O-N 3.36Å |
| 754 | E | 85.3 | Confident | 83.2 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.8 | -45.3 | 179.1 | -172.4 | 149.6 | -150.7 | 0 | 0 | 112.3 | I708 V709 L750 I751 M752 L756 D757 K759 Y760 | I708-E754 WeakPolarHBondContact CG2-OE2 3.38Å; V709-E754 HydrophobicContact CG2-CB 4.28Å; V709-E754 HydrophobicContact CG2-CG 3.79Å; L750-E754 PolarHBondContact O-N 2.9Å; I751-E754 PolarHBondContact O-N 3.13Å; M752-E754 VanDerWaalsContact C-N 3.27Å; M752-E754 PolarHBondContact O-N 2.95Å; E754-L756 VanDerWaalsContact C-N 3.31Å; E754-L756 PolarHBondContact O-N 3.47Å; E754-D757 WeakPolarHBondContact O-CB 3.45Å; E754-D757 PolarHBondContact O-N 3.48Å; E754-K759 IonicContact OE1-NZ 3.9Å; E754-K759 PolarHBondContact OE1-NZ 3.37Å; E754-Y760 HydrophobicContact CG-CE2 3.91Å; E754-Y760 VanDerWaalsContact O-CD2 3.27Å; E754-Y760 WeakPolarHBondContact O-CD2 3.47Å; E754-Y760 WeakPolarHBondContact O-CE2 3.28Å |
| 755 | L | 84.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.1 | -27.4 | -179.1 | -73.4 | 172.3 | 0 | 0 | 0 | 114.2 | V709 I751 M752 L784 L787 I788 | V709-L755 HydrophobicContact CG1-CD2 3.83Å; V709-L755 HydrophobicContact CG2-CD2 4Å; V709-L755 HydrophobicContact CG2-CG 4.28Å; I751-L755 HydrophobicContact CD1-CD1 4.07Å; I751-L755 HydrophobicContact CD1-CG 4.24Å; I751-L755 HydrophobicContact CG1-CD1 3.71Å; I751-L755 HydrophobicContact CG1-CG 4.27Å; I751-L755 VanDerWaalsContact O-CB 3.31Å; I751-L755 WeakPolarHBondContact O-CB 3.3Å; I751-L755 VanDerWaalsContact O-CG 3.22Å; I751-L755 WeakPolarHBondContact O-CG 3.28Å; I751-L755 PolarHBondContact O-N 3.17Å; M752-L755 PolarHBondContact O-N 3.39Å; L755-L784 HydrophobicContact CD2-CD2 4.23Å; L755-L787 HydrophobicContact CD1-CD2 4.2Å; L755-L787 HydrophobicContact CD2-CD2 4.04Å; L755-I788 HydrophobicContact CB-CD1 4.35Å; L755-I788 HydrophobicContact CB-CG1 4.14Å; L755-I788 HydrophobicContact CD1-CG1 3.91Å; L755-I788 HydrophobicContact CD2-CG1 4.35Å; L755-I788 HydrophobicContact CG-CG1 4.36Å |
| 756 | L | 83.4 | Confident | 83.8 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0 | 177.3 | -60.6 | -178.2 | 0 | 0 | 0 | 112.9 | M752 E754 F763 I772 E803 L804 F806 | M752-L756 HydrophobicContact CE-CD1 4Å; M752-L756 HydrophobicContact CE-CG 4.38Å; M752-L756 WeakPolarHBondContact O-CB 3.37Å; M752-L756 VanDerWaalsContact O-CG 3.27Å; M752-L756 WeakPolarHBondContact O-CG 3.44Å; M752-L756 PolarHBondContact O-N 3.08Å; E754-L756 VanDerWaalsContact C-N 3.31Å; E754-L756 PolarHBondContact O-N 3.47Å; L756-F763 HydrophobicContact CD2-CD2 3.85Å; L756-F763 HydrophobicContact CD2-CE2 3.59Å; L756-F763 HydrophobicContact CD2-CZ 4.33Å; L756-I772 HydrophobicContact CB-CD1 4.49Å; L756-I772 HydrophobicContact CD1-CD1 4.15Å; L756-I772 HydrophobicContact CD2-CD1 3.81Å; L756-I772 HydrophobicContact CG-CD1 4.38Å; L756-E803 WeakPolarHBondContact CD1-O 3.44Å; L756-L804 HydrophobicContact CD1-CD2 4.32Å; L756-F806 HydrophobicContact CD2-CE2 4.34Å |
| 757 | D | 81.9 | Confident | 83.9 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | trans | -64.1 | 128.8 | 178.7 | -169.3 | -50.1 | 0 | 0 | 0 | 110.1 | K753 E754 K759 Y760 | K753-D757 PolarHBondContact O-N 3.36Å; E754-D757 WeakPolarHBondContact O-CB 3.45Å; E754-D757 PolarHBondContact O-N 3.48Å; D757-K759 HydrophobicContact CB-CD 4.09Å; D757-K759 HydrophobicContact CB-CG 3.9Å; D757-K759 PolarHBondContact O-N 3.05Å; D757-K759 VanDerWaalsContact OD1-CB 3.27Å; D757-K759 WeakPolarHBondContact OD1-CB 3.41Å; D757-K759 VanDerWaalsContact OD1-CG 3.27Å; D757-K759 WeakPolarHBondContact OD1-CG 3.45Å; D757-K759 PolarHBondContact OD1-N 3.27Å; D757-Y760 HydrophobicContact CB-CD2 4.4Å; D757-Y760 PolarHBondContact O-N 3.36Å; D757-Y760 VanDerWaalsContact O-N 3.14Å | ||
| 758 | P | 75.6 | Confident | 83.7 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 66% | 0.656 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -52.3 | -21.6 | 177.5 | -27.8 | 35.1 | 0 | 0 | 0 | 114.6 | Y760 G761 | P758-Y760 PolarHBondContact O-N 3.03Å; P758-Y760 VanDerWaalsContact O-N 3.14Å; P758-G761 PolarHBondContact O-N 3.47Å |
| 759 | K | 76.7 | Confident | 83.6 | Confident | 120 Ų | 120 | 63.8 Ų | 63.8 | 52% | 0.522 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -54.3 | -28.8 | 176.6 | 75.9 | -170.9 | -178.7 | 178.3 | 0 | 113.9 | E754 D757 | E754-K759 IonicContact OE1-NZ 3.9Å; E754-K759 PolarHBondContact OE1-NZ 3.37Å; D757-K759 HydrophobicContact CB-CD 4.09Å; D757-K759 HydrophobicContact CB-CG 3.9Å; D757-K759 PolarHBondContact O-N 3.05Å; D757-K759 VanDerWaalsContact OD1-CB 3.27Å; D757-K759 WeakPolarHBondContact OD1-CB 3.41Å; D757-K759 VanDerWaalsContact OD1-CG 3.27Å; D757-K759 WeakPolarHBondContact OD1-CG 3.45Å; D757-K759 PolarHBondContact OD1-N 3.27Å |
| 760 | Y | 76.2 | Confident | 83.8 | Confident | 50 Ų | 50 | 70.3 Ų | 70.3 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -84.5 | -12.6 | 179 | -70.5 | -76.2 | 0 | 0 | 0 | 113.5 | E754 D757 P758 M762 E780 | E754-Y760 HydrophobicContact CG-CE2 3.91Å; E754-Y760 VanDerWaalsContact O-CD2 3.27Å; E754-Y760 WeakPolarHBondContact O-CD2 3.47Å; E754-Y760 WeakPolarHBondContact O-CE2 3.28Å; D757-Y760 HydrophobicContact CB-CD2 4.4Å; D757-Y760 PolarHBondContact O-N 3.36Å; D757-Y760 VanDerWaalsContact O-N 3.14Å; P758-Y760 PolarHBondContact O-N 3.03Å; P758-Y760 VanDerWaalsContact O-N 3.14Å; Y760-M762 PolarHBondContact O-N 2.78Å; Y760-E780 WeakPolarHBondContact O-CG 2.94Å |
| 761 | G | 79.7 | Confident | 84 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | 60 | 20.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | P758 T778 | P758-G761 PolarHBondContact O-N 3.47Å; G761-T778 WeakPolarHBondContact O-CB 3.15Å; G761-T778 PolarHBondContact O-OG1 2.65Å | ||
| 762 | M | 85.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -80 | -32.8 | 178.6 | -66.2 | -178.8 | 70.6 | 0 | 0 | 112.3 | Y760 S775 E780 L784 F785 I788 | Y760-M762 PolarHBondContact O-N 2.78Å; M762-S775 PolarHBondContact O-N 3.27Å; M762-E780 HydrophobicContact CG-CB 4.17Å; M762-E780 HydrophobicContact CG-CG 4.05Å; M762-L784 HydrophobicContact CE-CB 3.55Å; M762-L784 HydrophobicContact SD-CB 3.94Å; M762-L784 HydrophobicContact SD-CD2 4.31Å; M762-F785 HydrophobicContact CB-CE1 4Å; M762-F785 HydrophobicContact CB-CZ 3.84Å; M762-F785 HydrophobicContact CE-CD1 3.65Å; M762-F785 HydrophobicContact CE-CD2 3.79Å; M762-F785 HydrophobicContact CE-CE1 3.64Å; M762-F785 HydrophobicContact CE-CE2 3.76Å; M762-F785 HydrophobicContact CE-CG 3.74Å; M762-F785 HydrophobicContact CE-CZ 3.7Å; M762-F785 HydrophobicContact CG-CE2 4.49Å; M762-F785 HydrophobicContact CG-CZ 4.06Å; M762-I788 HydrophobicContact CE-CD1 3.38Å; M762-I788 HydrophobicContact CE-CG1 4.45Å; M762-I788 HydrophobicContact SD-CD1 4Å |
| 763 | F | 89 | Confident | 84.5 | Confident | 20 Ų | 20 | 69 Ų | 69 | 9% | 0.088 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.7 | -177.3 | -52.7 | -72.2 | 0 | 0 | 0 | 111.2 | L756 I772 W773 F774 F785 I788 F806 | L756-F763 HydrophobicContact CD2-CD2 3.85Å; L756-F763 HydrophobicContact CD2-CE2 3.59Å; L756-F763 HydrophobicContact CD2-CZ 4.33Å; F763-I772 HydrophobicContact CB-CB 4.2Å; F763-I772 HydrophobicContact CG-CD1 4.45Å; F763-W773 CarbonylContact C-O 3.45Å; F763-W773 VanDerWaalsContact CA-O 3.23Å; F763-W773 WeakPolarHBondContact CA-O 3.48Å; F763-F774 HydrophobicContact CD1-CD1 4.35Å; F763-F774 HydrophobicContact CD1-CG 4.48Å; F763-F774 AromaticContact CE1-CD1 3.76Å; F763-F774 HydrophobicContact CE1-CD1 3.76Å; F763-F774 AromaticContact CE1-CE1 3.86Å; F763-F774 HydrophobicContact CE1-CE1 3.86Å; F763-F774 HydrophobicContact CE1-CG 4.27Å; F763-F774 HydrophobicContact CE1-CZ 4.44Å; F763-F785 HydrophobicContact CE1-CD1 4.43Å; F763-F785 HydrophobicContact CE1-CE1 4.09Å; F763-F785 HydrophobicContact CZ-CD1 4.36Å; F763-F785 HydrophobicContact CZ-CE1 4.21Å; F763-I788 HydrophobicContact CE2-CD1 3.56Å; F763-I788 HydrophobicContact CZ-CD1 3.59Å; F763-F806 HydrophobicContact CD1-CE1 4.02Å; F763-F806 AromaticContact CD1-CZ 3.55Å; F763-F806 HydrophobicContact CD1-CZ 3.55Å; F763-F806 HydrophobicContact CE1-CE1 4.06Å; F763-F806 AromaticContact CE1-CZ 3.44Å; F763-F806 HydrophobicContact CE1-CZ 3.44Å; F763-F806 VanDerWaalsContact CE1-CZ 3.44Å; F763-F806 HydrophobicContact CG-CZ 4.25Å; F763-F806 HydrophobicContact CZ-CZ 4.02Å |
| 764 | R | 87.6 | Confident | 84.9 | Confident | 112 Ų | 112 | 61.3 Ų | 61.3 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132 | 171.6 | -179.4 | 176.4 | 179.6 | 171.6 | 2.8 | 109.2 | Y766 I772 W773 | R764-Y766 HydrophobicContact CB-CE2 4.14Å; R764-Y766 HydrophobicContact CG-CD2 4.47Å; R764-Y766 HydrophobicContact CG-CE2 3.99Å; R764-I772 VanDerWaalsContact O-CA 3.3Å; R764-I772 WeakPolarHBondContact O-CA 3.41Å; R764-W773 PolarHBondContact N-O 3.32Å; R764-W773 PolarHBondContact O-N 3.23Å |
| 765 | Y | 88.1 | Confident | 84.9 | Confident | 121 Ų | 121 | 59.8 Ų | 59.8 | 48% | 0.475 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 134.2 | 172.4 | -174.1 | -105.6 | 0 | 0 | 0 | 110.7 | E767 R770 I772 | Y765-E767 HydrophobicContact CD1-CG 4.18Å; Y765-E767 HydrophobicContact CE1-CG 4.19Å; Y765-R770 WeakPolarHBondContact OH-CB 3.48Å; Y765-I772 HydrophobicContact CD2-CG2 3.78Å |
| 766 | Y | 87.3 | Confident | 84.5 | Confident | 33 Ų | 33 | 62.1 Ų | 62.1 | 13% | 0.129 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 110.3 | 176.9 | -69.5 | -101.3 | 0 | 0 | 0 | 108.7 | R764 E768 S769 R770 L771 W773 L827 M828 | R764-Y766 HydrophobicContact CB-CE2 4.14Å; R764-Y766 HydrophobicContact CG-CD2 4.47Å; R764-Y766 HydrophobicContact CG-CE2 3.99Å; Y766-E768 PolarHBondContact O-N 3.12Å; Y766-S769 WeakPolarHBondContact CB-OG 3.47Å; Y766-R770 VanDerWaalsContact O-CA 3.24Å; Y766-R770 WeakPolarHBondContact O-CA 3.4Å; Y766-R770 PolarHBondContact O-N 3Å; Y766-L771 PolarHBondContact N-O 3.41Å; Y766-W773 HydrophobicContact CD2-CB 4.48Å; Y766-W773 HydrophobicContact CE2-CB 3.72Å; Y766-L827 HydrophobicContact CD2-CD1 3.76Å; Y766-L827 HydrophobicContact CD2-CG 4.49Å; Y766-L827 HydrophobicContact CE1-CG 4.5Å; Y766-L827 HydrophobicContact CE2-CD1 3.95Å; Y766-L827 HydrophobicContact CE2-CG 4.42Å; Y766-L827 HydrophobicContact CG-CD1 4.11Å; Y766-M828 HydrophobicContact CD1-CG 3.85Å; Y766-M828 HydrophobicContact CE1-CE 4.26Å; Y766-M828 HydrophobicContact CE1-CG 3.59Å; Y766-M828 HydrophobicContact CE1-SD 3.86Å |
| 767 | E | 84.1 | Confident | 84.2 | Confident | 167 Ų | 167 | 63.5 Ų | 63.5 | 78% | 0.78 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -38.2 | -171.2 | -63.9 | -172.8 | 169.7 | 0 | 0 | 113.4 | Y765 | Y765-E767 HydrophobicContact CD1-CG 4.18Å; Y765-E767 HydrophobicContact CE1-CG 4.19Å |
| 768 | E | 82.7 | Confident | 84 | Confident | 127 Ų | 127 | 62 Ų | 62 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -46.5 | -178.3 | -72.4 | 172.9 | -162.5 | 0 | 0 | 112.9 | Y766 | Y766-E768 PolarHBondContact O-N 3.12Š|
| 769 | S | 85.2 | Confident | 83.8 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -15.5 | -179 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | Y766 L771 E826 L827 | Y766-S769 WeakPolarHBondContact CB-OG 3.47Å; S769-L771 PolarHBondContact O-N 2.68Å; S769-E826 WeakPolarHBondContact CB-O 3.29Å; S769-L827 WeakPolarHBondContact CB-O 3.3Å; S769-L827 PolarHBondContact OG-O 3.27Å |
| 770 | R | 85.9 | Confident | 84 | Confident | 182 Ų | 182 | 63.7 Ų | 63.7 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 25.1 | -170.5 | -52.8 | 179.7 | -176.6 | 178.5 | 0.2 | 113.1 | Y765 Y766 | Y765-R770 WeakPolarHBondContact OH-CB 3.48Å; Y766-R770 VanDerWaalsContact O-CA 3.24Å; Y766-R770 WeakPolarHBondContact O-CA 3.4Å; Y766-R770 PolarHBondContact O-N 3Å |
| 771 | L | 89.2 | Confident | 83.9 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 161.3 | 179.8 | -63 | 175.1 | 0 | 0 | 0 | 111.1 | Y766 S769 N805 P807 E826 L827 | Y766-L771 PolarHBondContact N-O 3.41Å; S769-L771 PolarHBondContact O-N 2.68Å; L771-N805 CarbonylContact C-O 3.36Å; L771-N805 VanDerWaalsContact CA-O 3.26Å; L771-N805 WeakPolarHBondContact CA-O 3.31Å; L771-N805 WeakPolarHBondContact CB-O 3.47Å; L771-N805 VanDerWaalsContact CD2-O 3.29Å; L771-N805 WeakPolarHBondContact CD2-O 3.28Å; L771-P807 HydrophobicContact CD1-CB 4Å; L771-E826 HydrophobicContact CD1-CG 3.96Å; L771-L827 HydrophobicContact CB-CD1 4.19Å |
| 772 | I | 90.8 | Very high | 83.8 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.2 | 172.1 | 56.8 | 169.9 | 0 | 0 | 0 | 111 | L756 F763 R764 Y765 N805 F806 | L756-I772 HydrophobicContact CB-CD1 4.49Å; L756-I772 HydrophobicContact CD1-CD1 4.15Å; L756-I772 HydrophobicContact CD2-CD1 3.81Å; L756-I772 HydrophobicContact CG-CD1 4.38Å; F763-I772 HydrophobicContact CB-CB 4.2Å; F763-I772 HydrophobicContact CG-CD1 4.45Å; R764-I772 VanDerWaalsContact O-CA 3.3Å; R764-I772 WeakPolarHBondContact O-CA 3.41Å; Y765-I772 HydrophobicContact CD2-CG2 3.78Å; I772-N805 HydrophobicContact CG1-CB 4.48Å; I772-N805 WeakPolarHBondContact CG1-O 3.42Å; I772-N805 PolarHBondContact N-O 2.8Å; I772-F806 HydrophobicContact CD1-CD2 3.93Å; I772-F806 HydrophobicContact CD1-CE2 3.43Å; I772-F806 VanDerWaalsContact CD1-CE2 3.43Å; I772-F806 HydrophobicContact CD1-CZ 3.93Å; I772-F806 HydrophobicContact CG1-CD2 3.87Å; I772-F806 HydrophobicContact CG1-CE2 3.76Å; I772-F806 HydrophobicContact CG1-CG 4.3Å; I772-F806 HydrophobicContact CG1-CZ 4.1Å; I772-F806 WeakPolarHBondContact O-CD1 3.22Å |
| 773 | W | 92.8 | Very high | 83.5 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 1% | 0.011 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 159.7 | 172.3 | -166.5 | -115.5 | 0 | 0 | 0 | 111 | F763 R764 Y766 S775 F806 P807 A809 L810 K813 L827 V894 F895 V899 | F763-W773 CarbonylContact C-O 3.45Å; F763-W773 VanDerWaalsContact CA-O 3.23Å; F763-W773 WeakPolarHBondContact CA-O 3.48Å; R764-W773 PolarHBondContact N-O 3.32Å; R764-W773 PolarHBondContact O-N 3.23Å; Y766-W773 HydrophobicContact CD2-CB 4.48Å; Y766-W773 HydrophobicContact CE2-CB 3.72Å; W773-S775 PolarHBondContact O-N 3.45Å; W773-F806 AromaticContact CE3-CD1 3.84Å; W773-F806 HydrophobicContact CE3-CD1 3.84Å; W773-F806 HydrophobicContact CE3-CE1 4.29Å; W773-F806 HydrophobicContact CZ3-CD1 4.05Å; W773-P807 HydrophobicContact CE3-CG 3.64Å; W773-P807 HydrophobicContact CZ3-CG 3.79Å; W773-A809 HydrophobicContact CH2-CB 4.34Å; W773-A809 HydrophobicContact CZ3-CB 4.43Å; W773-L810 HydrophobicContact CZ3-CB 4.07Å; W773-L810 HydrophobicContact CZ3-CD1 4.49Å; W773-K813 HydrophobicContact CH2-CD 4.02Å; W773-K813 HydrophobicContact CZ2-CD 4.35Å; W773-L827 HydrophobicContact CB-CD1 4.01Å; W773-L827 HydrophobicContact CB-CD2 4.04Å; W773-L827 HydrophobicContact CD2-CD2 4.29Å; W773-L827 HydrophobicContact CG-CD2 3.91Å; W773-V894 PolarHBondContact NE1-O 2.88Å; W773-F895 HydrophobicContact CD2-CD1 4.48Å; W773-F895 AromaticContact CE2-CD1 3.83Å; W773-F895 AromaticContact CH2-CD1 3.87Å; W773-F895 HydrophobicContact CH2-CD1 3.87Å; W773-F895 HydrophobicContact CH2-CE1 4.45Å; W773-F895 HydrophobicContact CZ2-CB 4.41Å; W773-F895 AromaticContact CZ2-CD1 3.53Å; W773-F895 HydrophobicContact CZ2-CD1 3.53Å; W773-F895 HydrophobicContact CZ2-CE1 4.33Å; W773-F895 HydrophobicContact CZ2-CG 4.46Å; W773-F895 HydrophobicContact CZ3-CD1 4.46Å; W773-V899 HydrophobicContact CZ2-CG2 4.16Å |
| 774 | F | 91.3 | Very high | 83.3 | Confident | 5 Ų | 5 | 74.2 Ų | 74.2 | 2% | 0.022 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 130.6 | 179.2 | -62.3 | -94.9 | 0 | 0 | 0 | 111 | F763 F785 F806 L810 V899 L902 F903 F906 | F763-F774 HydrophobicContact CD1-CD1 4.35Å; F763-F774 HydrophobicContact CD1-CG 4.48Å; F763-F774 AromaticContact CE1-CD1 3.76Å; F763-F774 HydrophobicContact CE1-CD1 3.76Å; F763-F774 AromaticContact CE1-CE1 3.86Å; F763-F774 HydrophobicContact CE1-CE1 3.86Å; F763-F774 HydrophobicContact CE1-CG 4.27Å; F763-F774 HydrophobicContact CE1-CZ 4.44Å; F774-F785 AromaticContact CD1-CD1 3.85Å; F774-F785 HydrophobicContact CD1-CD1 3.85Å; F774-F785 AromaticContact CD1-CE1 3.78Å; F774-F785 HydrophobicContact CD1-CE1 3.78Å; F774-F785 AromaticContact CE1-CD1 3.87Å; F774-F785 HydrophobicContact CE1-CD1 3.87Å; F774-F785 HydrophobicContact CE1-CE1 4.25Å; F774-F806 HydrophobicContact CD2-CE1 4.23Å; F774-F806 AromaticContact CE2-CE1 3.93Å; F774-F806 HydrophobicContact CE2-CE1 3.93Å; F774-F806 HydrophobicContact CZ-CE1 4.37Å; F774-L810 HydrophobicContact CE2-CD1 3.8Å; F774-L810 HydrophobicContact CZ-CD1 4.06Å; F774-V899 HydrophobicContact CB-CB 3.86Å; F774-V899 HydrophobicContact CB-CG1 3.64Å; F774-V899 HydrophobicContact CG-CB 4.41Å; F774-L902 HydrophobicContact CB-CD1 4.4Å; F774-L902 HydrophobicContact CD1-CB 4.01Å; F774-F903 AromaticContact CE2-CD2 3.94Å; F774-F903 HydrophobicContact CE2-CD2 3.94Å; F774-F903 AromaticContact CZ-CD2 3.99Å; F774-F903 HydrophobicContact CZ-CD2 3.99Å; F774-F906 HydrophobicContact CE1-CB 4Å; F774-F906 HydrophobicContact CE1-CD2 4.5Å; F774-F906 HydrophobicContact CE1-CG 4.3Å; F774-F906 HydrophobicContact CZ-CB 4.06Å; F774-F906 HydrophobicContact CZ-CD1 4.33Å; F774-F906 HydrophobicContact CZ-CD2 4.34Å; F774-F906 HydrophobicContact CZ-CG 4.01Å |
| 775 | S | 86.3 | Confident | 83.4 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | trans | -81.7 | 115.2 | 171.5 | -176.8 | 0 | 0 | 0 | 0 | 109 | M762 W773 K777 L902 | M762-S775 PolarHBondContact O-N 3.27Å; W773-S775 PolarHBondContact O-N 3.45Å; S775-K777 PolarHBondContact O-N 3.33Å; S775-K777 PolarHBondContact OG-O 3.43Å; S775-L902 WeakPolarHBondContact O-CD1 3.05Å | ||
| 776 | H | 76.5 | Confident | 83.4 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -66.3 | -20.2 | 179 | 66.3 | -53.7 | 0 | 0 | 0 | 113.4 | E858 N860 A898 | H776-E858 IonicContact CD2-OE2 3.86Å; H776-E858 IonicContact CE1-OE1 2.6Å; H776-E858 PolarHBondContact CE1-OE1 2.98Å; H776-E858 IonicContact CE1-OE2 3.64Å; H776-E858 PolarHBondContact CE1-OE2 3.09Å; H776-E858 VanDerWaalsContact CE1-OE2 3.23Å; H776-E858 IonicContact ND1-OE1 3.43Å; H776-E858 VanDerWaalsContact NE2-CD 3.26Å; H776-E858 IonicContact NE2-OE1 2.66Å; H776-E858 PolarHBondContact NE2-OE1 3.2Å; H776-E858 IonicContact NE2-OE2 2.72Å; H776-E858 PolarHBondContact NE2-OE2 3.02Å; H776-N860 PolarHBondContact CE1-OD1 3Å; H776-N860 PolarHBondContact NE2-ND2 2.86Å; H776-A898 HydrophobicContact CB-CB 4.29Å; H776-A898 WeakPolarHBondContact CB-O 3.43Å |
| 777 | K | 75.9 | Confident | 83.4 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 27% | 0.265 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -112.4 | 89.8 | 171.6 | -67.1 | -172.8 | -177.7 | -178.8 | 0 | 110 | S775 N860 Y861 E865 | S775-K777 PolarHBondContact O-N 3.33Å; S775-K777 PolarHBondContact OG-O 3.43Å; K777-N860 HydrophobicContact CD-CB 3.95Å; K777-N860 WeakPolarHBondContact CE-ND2 3.42Å; K777-N860 PolarHBondContact NZ-ND2 2.89Å; K777-Y861 HydrophobicContact CB-CE2 4.45Å; K777-E865 IonicContact NZ-OE1 3.93Å; K777-E865 PolarHBondContact NZ-OE1 2.86Å; K777-E865 IonicContact NZ-OE2 3.9Å; K777-E865 PolarHBondContact NZ-OE2 2.9Å |
| 778 | T | 78.3 | Confident | 83.6 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | trans | -117.7 | 147.4 | 176.1 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | G761 E780 F785 L902 | G761-T778 WeakPolarHBondContact O-CB 3.15Å; G761-T778 PolarHBondContact O-OG1 2.65Å; T778-E780 PolarHBondContact OG1-N 3.28Å; T778-F785 HydrophobicContact CG2-CE2 3.96Å; T778-F785 HydrophobicContact CG2-CZ 4.05Å; T778-L902 HydrophobicContact CG2-CD1 4.44Å; T778-L902 HydrophobicContact CG2-CD2 3.82Å | ||
| 779 | F | 72 | Confident | 84 | Confident | 184 Ų | 184 | 49.3 Ų | 49.3 | 81% | 0.807 | 23% | 0.233 | S | C | * | . | trans | -95.7 | -1.1 | 175.8 | -62.3 | -76.9 | 0 | 0 | 0 | 112.6 | ||||
| 780 | E | 79.1 | Confident | 84.2 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 34% | 0.341 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -89.6 | 155.1 | -176.9 | -67.9 | -61.9 | 155 | 0 | 0 | 112.8 | Y760 M762 T778 L784 | Y760-E780 WeakPolarHBondContact O-CG 2.94Å; M762-E780 HydrophobicContact CG-CB 4.17Å; M762-E780 HydrophobicContact CG-CG 4.05Å; T778-E780 PolarHBondContact OG1-N 3.28Å; E780-L784 HydrophobicContact CB-CD1 4.23Å; E780-L784 WeakPolarHBondContact OE2-CD1 3.48Å |
| 781 | D | 75.1 | Confident | 84.4 | Confident | 105 Ų | 105 | 39.5 Ų | 39.5 | 56% | 0.561 | 19% | 0.193 | S | C | * | . | trans | -70 | 144.9 | 179.8 | -77.2 | -33.5 | 0 | 0 | 0 | 112.5 | D783 L784 | D781-D783 PolarHBondContact O-N 3.41Å; D781-L784 HydrophobicContact CB-CD1 4.45Å; D781-L784 PolarHBondContact O-N 3.3Å | ||
| 782 | F | 77.6 | Confident | 84.4 | Confident | 120 Ų | 120 | 38.5 Ų | 38.5 | 53% | 0.526 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -55.2 | -24.1 | 175 | -66.2 | -76.1 | 0 | 0 | 0 | 113.9 | L784 F785 N786 P901 L902 | F782-L784 VanDerWaalsContact C-N 3.3Å; F782-L784 PolarHBondContact O-N 2.99Å; F782-F785 PolarHBondContact O-N 3.44Å; F782-N786 PolarHBondContact O-N 2.76Å; F782-P901 HydrophobicContact CD1-CB 4.44Å; F782-P901 HydrophobicContact CE1-CB 3.7Å; F782-P901 HydrophobicContact CE1-CG 4.1Å; F782-P901 HydrophobicContact CZ-CB 4.35Å; F782-L902 HydrophobicContact CD1-CD2 4.07Å; F782-L902 HydrophobicContact CE1-CD2 3.75Å |
| 783 | D | 79.8 | Confident | 84.3 | Confident | 84 Ų | 84 | 37.6 Ų | 37.6 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.1 | -32.6 | 177.6 | -78.6 | -8.3 | 0 | 0 | 0 | 113 | R717 D781 N786 L787 | R717-D783 IonicContact CZ-OD2 3.61Å; R717-D783 IonicContact NE-OD2 3.21Å; R717-D783 PolarHBondContact NE-OD2 3.34Å; R717-D783 IonicContact NH2-OD2 2.93Å; R717-D783 PolarHBondContact NH2-OD2 3.04Å; D781-D783 PolarHBondContact O-N 3.41Å; D783-N786 WeakPolarHBondContact O-CB 3.33Å; D783-N786 PolarHBondContact O-N 3.43Å; D783-L787 PolarHBondContact O-N 3.2Å |
| 784 | L | 84.4 | Confident | 84.1 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.6 | -35.9 | 177.7 | -81.8 | 126.6 | 0 | 0 | 0 | 111.5 | V709 M713 L755 M762 E780 D781 F782 N786 L787 I788 | V709-L784 HydrophobicContact CG1-CD2 4.34Å; M713-L784 HydrophobicContact SD-CD2 4.09Å; M713-L784 HydrophobicContact SD-CG 4.06Å; L755-L784 HydrophobicContact CD2-CD2 4.23Å; M762-L784 HydrophobicContact CE-CB 3.55Å; M762-L784 HydrophobicContact SD-CB 3.94Å; M762-L784 HydrophobicContact SD-CD2 4.31Å; E780-L784 HydrophobicContact CB-CD1 4.23Å; E780-L784 WeakPolarHBondContact OE2-CD1 3.48Å; D781-L784 HydrophobicContact CB-CD1 4.45Å; D781-L784 PolarHBondContact O-N 3.3Å; F782-L784 VanDerWaalsContact C-N 3.3Å; F782-L784 PolarHBondContact O-N 2.99Å; L784-N786 VanDerWaalsContact C-N 3.32Å; L784-N786 PolarHBondContact O-N 3.07Å; L784-L787 WeakPolarHBondContact O-CB 3.48Å; L784-L787 PolarHBondContact O-N 2.86Å; L784-I788 WeakPolarHBondContact O-CG1 3.34Å; L784-I788 PolarHBondContact O-N 3.24Å |
| 785 | F | 88.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | 172.9 | -65.8 | -84 | 0 | 0 | 0 | 111.1 | M762 F763 F774 T778 F782 L787 I788 G789 L902 F906 | M762-F785 HydrophobicContact CB-CE1 4Å; M762-F785 HydrophobicContact CB-CZ 3.84Å; M762-F785 HydrophobicContact CE-CD1 3.65Å; M762-F785 HydrophobicContact CE-CD2 3.79Å; M762-F785 HydrophobicContact CE-CE1 3.64Å; M762-F785 HydrophobicContact CE-CE2 3.76Å; M762-F785 HydrophobicContact CE-CG 3.74Å; M762-F785 HydrophobicContact CE-CZ 3.7Å; M762-F785 HydrophobicContact CG-CE2 4.49Å; M762-F785 HydrophobicContact CG-CZ 4.06Å; F763-F785 HydrophobicContact CE1-CD1 4.43Å; F763-F785 HydrophobicContact CE1-CE1 4.09Å; F763-F785 HydrophobicContact CZ-CD1 4.36Å; F763-F785 HydrophobicContact CZ-CE1 4.21Å; F774-F785 AromaticContact CD1-CD1 3.85Å; F774-F785 HydrophobicContact CD1-CD1 3.85Å; F774-F785 AromaticContact CD1-CE1 3.78Å; F774-F785 HydrophobicContact CD1-CE1 3.78Å; F774-F785 AromaticContact CE1-CD1 3.87Å; F774-F785 HydrophobicContact CE1-CD1 3.87Å; F774-F785 HydrophobicContact CE1-CE1 4.25Å; T778-F785 HydrophobicContact CG2-CE2 3.96Å; T778-F785 HydrophobicContact CG2-CZ 4.05Å; F782-F785 PolarHBondContact O-N 3.44Å; F785-L787 VanDerWaalsContact C-N 3.34Å; F785-I788 PolarHBondContact O-N 3.15Å; F785-G789 PolarHBondContact O-N 3.07Å; F785-G789 VanDerWaalsContact O-N 3.07Å; F785-L902 HydrophobicContact CD1-CB 4.31Å; F785-L902 HydrophobicContact CD2-CD2 4.09Å; F785-L902 HydrophobicContact CE1-CB 4.25Å; F785-L902 HydrophobicContact CE2-CD2 3.65Å; F785-L902 HydrophobicContact CG-CB 4.49Å; F785-L902 HydrophobicContact CZ-CB 4.39Å; F785-L902 HydrophobicContact CZ-CD1 4.43Å; F785-L902 HydrophobicContact CZ-CD2 3.94Å; F785-L902 HydrophobicContact CZ-CG 4.48Å; F785-F906 VanDerWaalsContact O-CA 3.27Å; F785-F906 WeakPolarHBondContact O-CA 3.49Å |
| 786 | N | 88.5 | Confident | 83.9 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 15% | 0.15 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61 | -43.5 | 172.7 | -159.5 | -96.3 | 0 | 0 | 0 | 111.8 | F782 D783 L784 G789 V790 G905 G909 K912 | F782-N786 PolarHBondContact O-N 2.76Å; D783-N786 WeakPolarHBondContact O-CB 3.33Å; D783-N786 PolarHBondContact O-N 3.43Å; L784-N786 VanDerWaalsContact C-N 3.32Å; L784-N786 PolarHBondContact O-N 3.07Å; N786-G789 PolarHBondContact O-N 3.06Å; N786-V790 WeakPolarHBondContact O-CG2 3.38Å; N786-V790 PolarHBondContact O-N 3.03Å; N786-G905 VanDerWaalsContact CA-O 3.27Å; N786-G905 WeakPolarHBondContact CA-O 3.01Å; N786-G905 PolarHBondContact ND2-O 2.89Å; N786-G909 PolarHBondContact ND2-N 3.29Å; N786-G909 VanDerWaalsContact ND2-N 3.17Å; N786-G909 WeakPolarHBondContact O-CA 3.43Å; N786-K912 PolarHBondContact OD1-NZ 3.04Å |
| 787 | L | 87.3 | Confident | 84.2 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 5% | 0.047 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.2 | -51.9 | 176.2 | 176.8 | 72.6 | 0 | 0 | 0 | 111.5 | V709 T712 M713 L716 L755 D783 L784 F785 G789 V790 I791 | V709-L787 HydrophobicContact CG1-CD2 4.37Å; T712-L787 HydrophobicContact CG2-CD1 4.21Å; M713-L787 HydrophobicContact CG-CD1 4.11Å; M713-L787 HydrophobicContact CG-CD2 3.39Å; M713-L787 HydrophobicContact CG-CG 4.25Å; M713-L787 HydrophobicContact SD-CD2 4.07Å; L716-L787 HydrophobicContact CD1-CD1 3.37Å; L755-L787 HydrophobicContact CD1-CD2 4.2Å; L755-L787 HydrophobicContact CD2-CD2 4.04Å; D783-L787 PolarHBondContact O-N 3.2Å; L784-L787 WeakPolarHBondContact O-CB 3.48Å; L784-L787 PolarHBondContact O-N 2.86Å; F785-L787 VanDerWaalsContact C-N 3.34Å; L787-G789 PolarHBondContact O-N 2.75Å; L787-V790 WeakPolarHBondContact O-CB 3.48Å; L787-V790 PolarHBondContact O-N 3.47Å; L787-I791 HydrophobicContact CD1-CG1 4.28Å; L787-I791 HydrophobicContact CG-CG1 4.32Å; L787-I791 WeakPolarHBondContact O-CG1 3.39Å; L787-I791 PolarHBondContact O-N 2.92Å |
| 788 | I | 88.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 179.8 | -61 | 168.7 | 0 | 0 | 0 | 109.9 | L755 M762 F763 L784 F785 V790 I791 C792 F906 | L755-I788 HydrophobicContact CB-CD1 4.35Å; L755-I788 HydrophobicContact CB-CG1 4.14Å; L755-I788 HydrophobicContact CD1-CG1 3.91Å; L755-I788 HydrophobicContact CD2-CG1 4.35Å; L755-I788 HydrophobicContact CG-CG1 4.36Å; M762-I788 HydrophobicContact CE-CD1 3.38Å; M762-I788 HydrophobicContact CE-CG1 4.45Å; M762-I788 HydrophobicContact SD-CD1 4Å; F763-I788 HydrophobicContact CE2-CD1 3.56Å; F763-I788 HydrophobicContact CZ-CD1 3.59Å; L784-I788 WeakPolarHBondContact O-CG1 3.34Å; L784-I788 PolarHBondContact O-N 3.24Å; F785-I788 PolarHBondContact O-N 3.15Å; I788-V790 PolarHBondContact O-N 3.07Å; I788-I791 PolarHBondContact O-N 2.74Å; I788-C792 WeakPolarHBondContact O-CB 3.41Å; I788-C792 PolarHBondContact O-N 3Å; I788-C792 PolarHBondContact O-SG 3.46Å; I788-F906 HydrophobicContact CB-CD2 4.22Å; I788-F906 HydrophobicContact CB-CE2 4.33Å; I788-F906 HydrophobicContact CG2-CD2 4.05Å; I788-F906 HydrophobicContact CG2-CE2 3.69Å |
| 789 | G | 90 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.1 | -50.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F785 N786 L787 I791 C792 G793 F906 G909 F910 | F785-G789 PolarHBondContact O-N 3.07Å; F785-G789 VanDerWaalsContact O-N 3.07Å; N786-G789 PolarHBondContact O-N 3.06Å; L787-G789 PolarHBondContact O-N 2.75Å; G789-I791 PolarHBondContact O-N 3.32Å; G789-C792 PolarHBondContact O-N 2.87Å; G789-G793 PolarHBondContact O-N 3.33Å; G789-F906 WeakPolarHBondContact CA-O 3.43Å; G789-G909 VanDerWaalsContact C-C 3.43Å; G789-F910 VanDerWaalsContact C-N 3.32Å; G789-F910 WeakPolarHBondContact O-CA 3.37Å; G789-F910 PolarHBondContact O-N 3.23Å |
| 790 | V | 90.6 | Very high | 84.9 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L716 Y724 N786 L787 I788 G793 L794 G909 K912 V913 | L716-V790 HydrophobicContact CD1-CG1 4.1Å; L716-V790 HydrophobicContact CD2-CG1 4.37Å; Y724-V790 HydrophobicContact CD1-CG1 4.19Å; Y724-V790 HydrophobicContact CE1-CG1 4.13Å; N786-V790 WeakPolarHBondContact O-CG2 3.38Å; N786-V790 PolarHBondContact O-N 3.03Å; L787-V790 WeakPolarHBondContact O-CB 3.48Å; L787-V790 PolarHBondContact O-N 3.47Å; I788-V790 PolarHBondContact O-N 3.07Å; V790-G793 PolarHBondContact O-N 2.72Å; V790-L794 HydrophobicContact CG1-CD1 3.88Å; V790-L794 HydrophobicContact CG1-CG 4.3Å; V790-L794 WeakPolarHBondContact O-CB 3.05Å; V790-L794 WeakPolarHBondContact O-CG 3.42Å; V790-L794 PolarHBondContact O-N 3.37Å; V790-G909 WeakPolarHBondContact CG2-O 3.46Å; V790-K912 HydrophobicContact CG2-CD 4.41Å; V790-V913 HydrophobicContact CB-CG2 4.29Å; V790-V913 HydrophobicContact CG1-CG2 3.83Å; V790-V913 HydrophobicContact CG2-CG2 4.48Å |
| 791 | I | 89.6 | Confident | 85 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 179.1 | -64.8 | -63.8 | 0 | 0 | 0 | 111.2 | T712 L716 F747 F748 I751 M752 L787 I788 G789 G793 L794 A795 | T712-I791 HydrophobicContact CG2-CD1 3.96Å; L716-I791 HydrophobicContact CD1-CD1 4.14Å; F747-I791 HydrophobicContact CE1-CD1 4.28Å; F747-I791 HydrophobicContact CZ-CD1 4.23Å; F748-I791 HydrophobicContact CD1-CG2 4Å; F748-I791 HydrophobicContact CE1-CG2 4.19Å; I751-I791 HydrophobicContact CG2-CG2 3.9Å; M752-I791 HydrophobicContact CG-CG2 4.27Å; M752-I791 HydrophobicContact SD-CG2 3.66Å; L787-I791 HydrophobicContact CD1-CG1 4.28Å; L787-I791 HydrophobicContact CG-CG1 4.32Å; L787-I791 WeakPolarHBondContact O-CG1 3.39Å; L787-I791 PolarHBondContact O-N 2.92Å; I788-I791 PolarHBondContact O-N 2.74Å; G789-I791 PolarHBondContact O-N 3.32Å; I791-G793 VanDerWaalsContact C-N 3.3Å; I791-G793 PolarHBondContact O-N 2.88Å; I791-L794 PolarHBondContact O-N 3.24Å; I791-A795 WeakPolarHBondContact O-CB 3.47Å; I791-A795 PolarHBondContact O-N 3.36Å |
| 792 | C | 89.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.5 | -66.9 | 0 | 0 | 0 | 0 | 111.2 | I788 G789 A795 I796 L804 F910 | I788-C792 WeakPolarHBondContact O-CB 3.41Å; I788-C792 PolarHBondContact O-N 3Å; I788-C792 PolarHBondContact O-SG 3.46Å; G789-C792 PolarHBondContact O-N 2.87Å; C792-A795 PolarHBondContact O-N 3.15Å; C792-I796 WeakPolarHBondContact O-CG1 3.19Å; C792-I796 PolarHBondContact O-N 3.33Å; C792-L804 VanDerWaalsContact SG-CD1 3.55Å; C792-F910 HydrophobicContact CB-CD2 3.94Å; C792-F910 HydrophobicContact CB-CE2 4.24Å |
| 793 | G | 88.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G789 V790 I791 A795 I796 Y797 C914 | G789-G793 PolarHBondContact O-N 3.33Å; V790-G793 PolarHBondContact O-N 2.72Å; I791-G793 VanDerWaalsContact C-N 3.3Å; I791-G793 PolarHBondContact O-N 2.88Å; G793-A795 VanDerWaalsContact C-N 3.34Å; G793-A795 PolarHBondContact O-N 3.25Å; G793-I796 PolarHBondContact O-N 3.3Å; G793-Y797 VanDerWaalsContact O-CB 3.28Å; G793-Y797 WeakPolarHBondContact O-CB 3.46Å; G793-Y797 PolarHBondContact O-N 2.88Å; G793-C914 PolarHBondContact O-SG 3.03Å |
| 794 | L | 88.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.2 | -74.8 | 170.7 | 0 | 0 | 0 | 111.9 | L699 F748 V790 I791 Y797 N798 V913 | L699-L794 HydrophobicContact CD2-CD1 4.38Å; L699-L794 HydrophobicContact CD2-CD2 4.17Å; F748-L794 HydrophobicContact CE1-CB 3.95Å; F748-L794 HydrophobicContact CZ-CB 3.87Å; V790-L794 HydrophobicContact CG1-CD1 3.88Å; V790-L794 HydrophobicContact CG1-CG 4.3Å; V790-L794 WeakPolarHBondContact O-CB 3.05Å; V790-L794 WeakPolarHBondContact O-CG 3.42Å; V790-L794 PolarHBondContact O-N 3.37Å; I791-L794 PolarHBondContact O-N 3.24Å; L794-Y797 PolarHBondContact O-N 2.86Å; L794-N798 WeakPolarHBondContact O-CB 3.48Å; L794-N798 PolarHBondContact O-N 3.32Å; L794-N798 PolarHBondContact O-ND2 2.75Å; L794-V913 HydrophobicContact CD2-CG1 3.76Å; L794-V913 HydrophobicContact CD2-CG2 4.48Å; L794-V913 HydrophobicContact CG-CG1 4Å; L794-V913 HydrophobicContact CG-CG2 4.15Å |
| 795 | A | 87.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F748 I791 C792 G793 Y797 N798 F799 T800 V802 | F748-A795 HydrophobicContact CD1-CB 3.97Å; F748-A795 HydrophobicContact CE1-CB 3.96Å; F748-A795 HydrophobicContact CG-CB 4.37Å; F748-A795 HydrophobicContact CZ-CB 4.35Å; I791-A795 WeakPolarHBondContact O-CB 3.47Å; I791-A795 PolarHBondContact O-N 3.36Å; C792-A795 PolarHBondContact O-N 3.15Å; G793-A795 VanDerWaalsContact C-N 3.34Å; G793-A795 PolarHBondContact O-N 3.25Å; A795-Y797 PolarHBondContact O-N 2.86Å; A795-N798 CarbonylContact O-C 3.54Å; A795-N798 PolarHBondContact O-N 3.07Å; A795-F799 PolarHBondContact O-N 3.31Å; A795-F799 VanDerWaalsContact O-N 3.07Å; A795-T800 CarbonylContact C-O 3.58Å; A795-T800 PolarHBondContact O-N 3.18Å; A795-V802 HydrophobicContact CB-CG1 3.71Å; A795-V802 HydrophobicContact CB-CG2 4.25Å |
| 796 | I | 85.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 19.1 Ų | 19.1 | 4% | 0.036 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 175.9 | -66.1 | 167.2 | 0 | 0 | 0 | 111.1 | L664 C792 G793 N798 F799 F910 M930 I931 | L664-I796 HydrophobicContact CD2-CG2 3.53Å; C792-I796 WeakPolarHBondContact O-CG1 3.19Å; C792-I796 PolarHBondContact O-N 3.33Å; G793-I796 PolarHBondContact O-N 3.3Å; I796-N798 PolarHBondContact O-N 3Å; I796-F799 PolarHBondContact O-N 2.63Å; I796-F910 HydrophobicContact CD1-CE2 3.47Å; I796-F910 VanDerWaalsContact CD1-CE2 3.47Å; I796-F910 HydrophobicContact CD1-CZ 3.5Å; I796-M930 HydrophobicContact CB-CE 4.45Å; I796-M930 HydrophobicContact CD1-CE 4.06Å; I796-M930 HydrophobicContact CG1-CE 4.16Å; I796-M930 HydrophobicContact CG2-CE 3.45Å; I796-M930 VanDerWaalsContact CG2-CE 3.45Å; I796-M930 HydrophobicContact CG2-SD 4Å; I796-I931 HydrophobicContact CD1-CD1 3.53Å; I796-I931 HydrophobicContact CD1-CG1 3.39Å; I796-I931 HydrophobicContact CG1-CD1 4.25Å; I796-I931 HydrophobicContact CG1-CG1 3.53Å |
| 797 | Y | 84 | Confident | 85.6 | Confident | 5 Ų | 5 | 17.8 Ų | 17.8 | 2% | 0.02 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.8 | -23 | -175.7 | -152.8 | -113 | 0 | 0 | 0 | 113.3 | A668 Q671 M672 G793 L794 A795 V913 | A668-Y797 VanDerWaalsContact CA-CE2 3.47Å; A668-Y797 HydrophobicContact CB-CD1 4.45Å; A668-Y797 HydrophobicContact CB-CD2 3.67Å; A668-Y797 HydrophobicContact CB-CE1 4.3Å; A668-Y797 HydrophobicContact CB-CE2 3.5Å; A668-Y797 VanDerWaalsContact CB-CE2 3.5Å; A668-Y797 HydrophobicContact CB-CG 4.15Å; A668-Y797 PolarHBondContact O-OH 3.44Å; Q671-Y797 WeakPolarHBondContact CB-OH 3.26Å; M672-Y797 HydrophobicContact CE-CD1 3.26Å; M672-Y797 HydrophobicContact CE-CE1 3.42Å; M672-Y797 VanDerWaalsContact CE-CE1 3.42Å; M672-Y797 HydrophobicContact CE-CG 4.24Å; M672-Y797 WeakPolarHBondContact CE-O 3.43Å; M672-Y797 HydrophobicContact CG-CD1 4.45Å; M672-Y797 HydrophobicContact CG-CE1 3.64Å; M672-Y797 HydrophobicContact SD-CE1 4.39Å; G793-Y797 VanDerWaalsContact O-CB 3.28Å; G793-Y797 WeakPolarHBondContact O-CB 3.46Å; G793-Y797 PolarHBondContact O-N 2.88Å; L794-Y797 PolarHBondContact O-N 2.86Å; A795-Y797 PolarHBondContact O-N 2.86Å; Y797-V913 HydrophobicContact CG-CG1 4.41Å |
| 798 | N | 81.7 | Confident | 85.9 | Confident | 15 Ų | 15 | 19 Ų | 19 | 8% | 0.08 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 13.5 | 173.6 | -71.1 | -90.8 | 0 | 0 | 0 | 112.8 | R744 F748 L794 A795 I796 T800 | R744-N798 PolarHBondContact NH1-OD1 3.27Å; F748-N798 HydrophobicContact CE2-CB 4.37Å; L794-N798 WeakPolarHBondContact O-CB 3.48Å; L794-N798 PolarHBondContact O-N 3.32Å; L794-N798 PolarHBondContact O-ND2 2.75Å; A795-N798 CarbonylContact O-C 3.54Å; A795-N798 PolarHBondContact O-N 3.07Å; I796-N798 PolarHBondContact O-N 3Å; N798-T800 PolarHBondContact O-N 2.91Å; N798-T800 PolarHBondContact O-OG1 3.29Å |
| 799 | F | 80.1 | Confident | 86.1 | Confident | 96 Ų | 96 | 19 Ų | 19 | 42% | 0.421 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.5 | 177.7 | -42.9 | -62.8 | 0 | 0 | 0 | 114.2 | Q665 A668 A795 I796 | Q665-F799 HydrophobicContact CB-CE1 3.98Å; Q665-F799 HydrophobicContact CB-CZ 3.89Å; Q665-F799 HydrophobicContact CG-CD1 3.63Å; Q665-F799 HydrophobicContact CG-CD2 4.44Å; Q665-F799 HydrophobicContact CG-CE1 3.18Å; Q665-F799 HydrophobicContact CG-CE2 4.05Å; Q665-F799 HydrophobicContact CG-CG 4.27Å; Q665-F799 HydrophobicContact CG-CZ 3.44Å; Q665-F799 VanDerWaalsContact CG-CZ 3.44Å; A668-F799 HydrophobicContact CB-CZ 3.93Å; A795-F799 PolarHBondContact O-N 3.31Å; A795-F799 VanDerWaalsContact O-N 3.07Å; I796-F799 PolarHBondContact O-N 2.63Å |
| 800 | T | 79.3 | Confident | 86.3 | Confident | 20 Ų | 20 | 19.1 Ų | 19.1 | 12% | 0.123 | 9% | 0.094 | C | C | . | . | trans | -106.6 | 124.7 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | K745 F748 A795 N798 | K745-T800 HydrophobicContact CB-CG2 4.48Å; K745-T800 HydrophobicContact CG-CG2 4.21Å; F748-T800 HydrophobicContact CB-CG2 4.07Å; F748-T800 HydrophobicContact CD2-CG2 3.8Å; F748-T800 HydrophobicContact CG-CG2 4.26Å; A795-T800 CarbonylContact C-O 3.58Å; A795-T800 PolarHBondContact O-N 3.18Å; N798-T800 PolarHBondContact O-N 2.91Å; N798-T800 PolarHBondContact O-OG1 3.29Å | ||
| 801 | I | 79.4 | Confident | 86.4 | Confident | 38 Ų | 38 | 19.1 Ų | 19.1 | 20% | 0.195 | 9% | 0.094 | C | C | . | . | trans | -74.1 | 138.1 | 173.9 | -57.9 | 170 | 0 | 0 | 0 | 108.7 | I932 P988 | I801-I932 WeakPolarHBondContact CG2-O 2.97Å; I801-P988 HydrophobicContact CD1-CB 3.86Å; I801-P988 HydrophobicContact CD1-CG 3.73Å | ||
| 802 | V | 80.9 | Confident | 86.5 | Confident | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | trans | -126.7 | 150.4 | 176.7 | -71.2 | 0 | 0 | 0 | 0 | 110 | F748 M752 A795 L804 I931 | F748-V802 HydrophobicContact CB-CG1 3.99Å; M752-V802 HydrophobicContact CG-CB 4.12Å; M752-V802 HydrophobicContact CG-CG1 3.95Å; A795-V802 HydrophobicContact CB-CG1 3.71Å; A795-V802 HydrophobicContact CB-CG2 4.25Å; V802-L804 HydrophobicContact CG2-CD1 3.64Å; V802-L804 HydrophobicContact CG2-CG 4.4Å; V802-L804 PolarHBondContact O-N 2.87Å; V802-I931 HydrophobicContact CG2-CG2 3.84Å; V802-I931 PolarHBondContact N-O 2.9Å | ||
| 803 | E | 76.1 | Confident | 86.7 | Confident | 113 Ų | 113 | 21.4 Ų | 21.4 | 53% | 0.528 | 10% | 0.104 | S | C | . | . | trans | -79.3 | 111 | 174.7 | -165.9 | 179.6 | 168.1 | 0 | 0 | 109.6 | L756 N805 | L756-E803 WeakPolarHBondContact CD1-O 3.44Å; E803-N805 PolarHBondContact OE1-ND2 3.25Å; E803-N805 VanDerWaalsContact OE1-ND2 3.14Å | ||
| 804 | L | 82.8 | Confident | 86.8 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | trans | -135.1 | 92.1 | 179.5 | -94.6 | 157.3 | 0 | 0 | 0 | 109.2 | M752 L756 C792 V802 F806 I931 I932 | M752-L804 HydrophobicContact CE-CD1 3.77Å; M752-L804 HydrophobicContact CE-CD2 3.79Å; M752-L804 HydrophobicContact CE-CG 3.56Å; L756-L804 HydrophobicContact CD1-CD2 4.32Å; C792-L804 VanDerWaalsContact SG-CD1 3.55Å; V802-L804 HydrophobicContact CG2-CD1 3.64Å; V802-L804 HydrophobicContact CG2-CG 4.4Å; V802-L804 PolarHBondContact O-N 2.87Å; L804-F806 HydrophobicContact CB-CD2 4.45Å; L804-F806 HydrophobicContact CD2-CD2 3.45Å; L804-F806 VanDerWaalsContact CD2-CD2 3.45Å; L804-F806 HydrophobicContact CD2-CE2 3.47Å; L804-F806 VanDerWaalsContact CD2-CE2 3.47Å; L804-F806 PolarHBondContact O-N 2.84Å; L804-I931 HydrophobicContact CB-CG2 4.33Å; L804-I931 HydrophobicContact CD1-CG2 3.45Å; L804-I931 VanDerWaalsContact CD1-CG2 3.45Å; L804-I932 HydrophobicContact CB-CG2 3.75Å; L804-I932 VanDerWaalsContact O-CG2 3.32Å; L804-I932 WeakPolarHBondContact O-CG2 3.14Å | ||
| 805 | N | 84.9 | Confident | 86.9 | Confident | 58 Ų | 58 | 22.7 Ų | 22.7 | 31% | 0.31 | 11% | 0.11 | S | C | . | . | trans | -81.5 | 49.1 | -175.7 | -62.6 | -28.8 | 0 | 0 | 0 | 112.1 | L771 I772 E803 | L771-N805 CarbonylContact C-O 3.36Å; L771-N805 VanDerWaalsContact CA-O 3.26Å; L771-N805 WeakPolarHBondContact CA-O 3.31Å; L771-N805 WeakPolarHBondContact CB-O 3.47Å; L771-N805 VanDerWaalsContact CD2-O 3.29Å; L771-N805 WeakPolarHBondContact CD2-O 3.28Å; I772-N805 HydrophobicContact CG1-CB 4.48Å; I772-N805 WeakPolarHBondContact CG1-O 3.42Å; I772-N805 PolarHBondContact N-O 2.8Å; E803-N805 PolarHBondContact OE1-ND2 3.25Å; E803-N805 VanDerWaalsContact OE1-ND2 3.14Å | ||
| 806 | F | 90.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | trans | -94.8 | 150 | 176.4 | -80.1 | -97.3 | 0 | 0 | 0 | 111.9 | L756 F763 I772 W773 F774 L804 L810 Q928 | L756-F806 HydrophobicContact CD2-CE2 4.34Å; F763-F806 HydrophobicContact CD1-CE1 4.02Å; F763-F806 AromaticContact CD1-CZ 3.55Å; F763-F806 HydrophobicContact CD1-CZ 3.55Å; F763-F806 HydrophobicContact CE1-CE1 4.06Å; F763-F806 AromaticContact CE1-CZ 3.44Å; F763-F806 HydrophobicContact CE1-CZ 3.44Å; F763-F806 VanDerWaalsContact CE1-CZ 3.44Å; F763-F806 HydrophobicContact CG-CZ 4.25Å; F763-F806 HydrophobicContact CZ-CZ 4.02Å; I772-F806 HydrophobicContact CD1-CD2 3.93Å; I772-F806 HydrophobicContact CD1-CE2 3.43Å; I772-F806 VanDerWaalsContact CD1-CE2 3.43Å; I772-F806 HydrophobicContact CD1-CZ 3.93Å; I772-F806 HydrophobicContact CG1-CD2 3.87Å; I772-F806 HydrophobicContact CG1-CE2 3.76Å; I772-F806 HydrophobicContact CG1-CG 4.3Å; I772-F806 HydrophobicContact CG1-CZ 4.1Å; I772-F806 WeakPolarHBondContact O-CD1 3.22Å; W773-F806 AromaticContact CE3-CD1 3.84Å; W773-F806 HydrophobicContact CE3-CD1 3.84Å; W773-F806 HydrophobicContact CE3-CE1 4.29Å; W773-F806 HydrophobicContact CZ3-CD1 4.05Å; F774-F806 HydrophobicContact CD2-CE1 4.23Å; F774-F806 AromaticContact CE2-CE1 3.93Å; F774-F806 HydrophobicContact CE2-CE1 3.93Å; F774-F806 HydrophobicContact CZ-CE1 4.37Å; L804-F806 HydrophobicContact CB-CD2 4.45Å; L804-F806 HydrophobicContact CD2-CD2 3.45Å; L804-F806 VanDerWaalsContact CD2-CD2 3.45Å; L804-F806 HydrophobicContact CD2-CE2 3.47Å; L804-F806 VanDerWaalsContact CD2-CE2 3.47Å; L804-F806 PolarHBondContact O-N 2.84Å; F806-L810 HydrophobicContact CB-CB 4.02Å; F806-L810 HydrophobicContact CB-CD2 3.66Å; F806-L810 HydrophobicContact CB-CG 4.44Å; F806-L810 HydrophobicContact CD1-CB 4.35Å; F806-L810 HydrophobicContact CD1-CD1 4.31Å; F806-L810 HydrophobicContact CD1-CD2 3.92Å; F806-L810 HydrophobicContact CD1-CG 4.42Å; F806-L810 HydrophobicContact CD2-CD2 4.07Å; F806-L810 HydrophobicContact CG-CB 4.47Å; F806-L810 HydrophobicContact CG-CD2 3.63Å; F806-Q928 PolarHBondContact O-NE2 2.85Å | ||
| 807 | P | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -66.1 | 163.7 | 173.2 | 29.6 | -37.1 | 0 | 0 | 0 | 112.3 | L771 W773 A809 L810 E826 L827 F895 | L771-P807 HydrophobicContact CD1-CB 4Å; W773-P807 HydrophobicContact CE3-CG 3.64Å; W773-P807 HydrophobicContact CZ3-CG 3.79Å; P807-A809 HydrophobicContact CB-CB 4.45Å; P807-A809 HydrophobicContact CG-CB 4.23Å; P807-A809 PolarHBondContact O-N 2.76Å; P807-L810 PolarHBondContact O-N 2.96Å; P807-E826 HydrophobicContact CB-CG 4.42Å; P807-L827 HydrophobicContact CB-CB 4.41Å; P807-L827 HydrophobicContact CG-CB 4.44Å; P807-L827 HydrophobicContact CG-CD1 4.16Å; P807-F895 HydrophobicContact CG-CE1 4.49Å | ||
| 808 | L | 91.7 | Very high | 87.5 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55 | -27 | 176.1 | -170.3 | 64.3 | 0 | 0 | 0 | 112.9 | L810 Y811 K812 E826 P924 Q928 | L808-L810 PolarHBondContact O-N 3.33Å; L808-Y811 PolarHBondContact O-N 3.35Å; L808-Y811 VanDerWaalsContact O-N 3.16Å; L808-K812 PolarHBondContact O-N 3.03Å; L808-E826 WeakPolarHBondContact CB-OE2 3.48Å; L808-E826 PolarHBondContact N-OE1 3.08Å; L808-E826 PolarHBondContact N-OE2 3Å; L808-P924 HydrophobicContact CD1-CB 3.85Å; L808-P924 HydrophobicContact CG-CB 4.26Å; L808-Q928 HydrophobicContact CD1-CB 4.46Å |
| 809 | A | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -51.3 | -38 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | W773 P807 Y811 K812 K813 P819 D823 F895 | W773-A809 HydrophobicContact CH2-CB 4.34Å; W773-A809 HydrophobicContact CZ3-CB 4.43Å; P807-A809 HydrophobicContact CB-CB 4.45Å; P807-A809 HydrophobicContact CG-CB 4.23Å; P807-A809 PolarHBondContact O-N 2.76Å; A809-Y811 PolarHBondContact O-N 3.5Å; A809-K812 PolarHBondContact O-N 2.88Å; A809-K813 VanDerWaalsContact O-CG 3.3Å; A809-K813 WeakPolarHBondContact O-CG 3.38Å; A809-K813 PolarHBondContact O-N 2.95Å; A809-P819 HydrophobicContact CB-CB 4.3Å; A809-P819 HydrophobicContact CB-CG 4.34Å; A809-D823 HydrophobicContact CB-CB 4.03Å; A809-F895 HydrophobicContact CB-CD1 3.55Å; A809-F895 HydrophobicContact CB-CE1 3.36Å; A809-F895 HydrophobicContact CB-CE2 4.45Å; A809-F895 HydrophobicContact CB-CG 4.21Å; A809-F895 HydrophobicContact CB-CZ 3.86Å |
| 810 | L | 94.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.5 | -50.5 | 179.1 | -179.9 | 71.2 | 0 | 0 | 0 | 110.5 | W773 F774 F806 P807 L808 K813 L814 F903 F906 | W773-L810 HydrophobicContact CZ3-CB 4.07Å; W773-L810 HydrophobicContact CZ3-CD1 4.49Å; F774-L810 HydrophobicContact CE2-CD1 3.8Å; F774-L810 HydrophobicContact CZ-CD1 4.06Å; F806-L810 HydrophobicContact CB-CB 4.02Å; F806-L810 HydrophobicContact CB-CD2 3.66Å; F806-L810 HydrophobicContact CB-CG 4.44Å; F806-L810 HydrophobicContact CD1-CB 4.35Å; F806-L810 HydrophobicContact CD1-CD1 4.31Å; F806-L810 HydrophobicContact CD1-CD2 3.92Å; F806-L810 HydrophobicContact CD1-CG 4.42Å; F806-L810 HydrophobicContact CD2-CD2 4.07Å; F806-L810 HydrophobicContact CG-CB 4.47Å; F806-L810 HydrophobicContact CG-CD2 3.63Å; P807-L810 PolarHBondContact O-N 2.96Å; L808-L810 PolarHBondContact O-N 3.33Å; L810-K813 PolarHBondContact O-N 3.37Å; L810-K813 VanDerWaalsContact O-N 3.17Å; L810-L814 HydrophobicContact CG-CD1 4.43Å; L810-L814 WeakPolarHBondContact O-CG 3.38Å; L810-L814 PolarHBondContact O-N 3.01Å; L810-F903 HydrophobicContact CD1-CD2 4.33Å; L810-F903 HydrophobicContact CD1-CE2 3.96Å; L810-F906 HydrophobicContact CD1-CD1 4.34Å; L810-F906 HydrophobicContact CD1-CE1 3.92Å; L810-F906 HydrophobicContact CD1-CZ 4.42Å; L810-F906 HydrophobicContact CD2-CE1 4.36Å; L810-F906 HydrophobicContact CD2-CZ 4.23Å; L810-F906 HydrophobicContact CG-CE1 4.46Å |
| 811 | Y | 92.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.8 | -33.5 | -176.2 | -50.7 | -79 | 0 | 0 | 0 | 111.7 | L808 A809 L814 L815 P924 L927 Q928 I931 | L808-Y811 PolarHBondContact O-N 3.35Å; L808-Y811 VanDerWaalsContact O-N 3.16Å; A809-Y811 PolarHBondContact O-N 3.5Å; Y811-L814 HydrophobicContact CD1-CD1 4.44Å; Y811-L814 PolarHBondContact O-N 2.76Å; Y811-L815 WeakPolarHBondContact O-CG 3.35Å; Y811-L815 PolarHBondContact O-N 3.29Å; Y811-L815 VanDerWaalsContact O-N 3.12Å; Y811-P924 WeakPolarHBondContact CB-O 3.37Å; Y811-L927 HydrophobicContact CD1-CD2 4.32Å; Y811-L927 HydrophobicContact CD1-CG 3.99Å; Y811-Q928 HydrophobicContact CD1-CB 4.17Å; Y811-Q928 HydrophobicContact CD2-CB 3.57Å; Y811-Q928 HydrophobicContact CD2-CG 3.84Å; Y811-Q928 HydrophobicContact CE1-CB 4.18Å; Y811-Q928 HydrophobicContact CE1-CG 4.47Å; Y811-Q928 HydrophobicContact CE2-CB 3.59Å; Y811-Q928 HydrophobicContact CE2-CG 3.36Å; Y811-Q928 HydrophobicContact CG-CB 3.85Å; Y811-I931 HydrophobicContact CD1-CD1 3.86Å; Y811-I931 HydrophobicContact CE1-CB 4.26Å; Y811-I931 HydrophobicContact CE1-CD1 3.47Å; Y811-I931 VanDerWaalsContact CE1-CD1 3.47Å; Y811-I931 HydrophobicContact CE1-CG1 4.42Å |
| 812 | K | 92.4 | Very high | 89.8 | Confident | 34 Ų | 34 | 44.6 Ų | 44.6 | 15% | 0.148 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57 | -50.7 | 167.8 | -77.8 | 178.6 | 177.5 | 174.3 | 0 | 110.6 | L808 A809 L814 L815 K816 R817 T820 D823 P924 | L808-K812 PolarHBondContact O-N 3.03Å; A809-K812 PolarHBondContact O-N 2.88Å; K812-L814 PolarHBondContact O-N 2.95Å; K812-L815 CarbonylContact O-C 3.51Å; K812-L815 PolarHBondContact O-N 3.32Å; K812-K816 PolarHBondContact O-N 2.86Å; K812-K816 VanDerWaalsContact O-N 3.15Å; K812-R817 CarbonylContact C-O 3.57Å; K812-R817 HydrophobicContact CB-CB 4.11Å; K812-R817 HydrophobicContact CG-CB 4.39Å; K812-R817 WeakPolarHBondContact O-CA 3.43Å; K812-R817 PolarHBondContact O-N 2.88Å; K812-T820 PolarHBondContact NZ-OG1 3.4Å; K812-D823 WeakPolarHBondContact CD-OD1 3.36Å; K812-D823 WeakPolarHBondContact CD-OD2 3.25Å; K812-D823 VanDerWaalsContact CE-OD1 3.31Å; K812-D823 WeakPolarHBondContact CE-OD1 3.26Å; K812-D823 IonicContact NZ-OD1 2.89Å; K812-D823 PolarHBondContact NZ-OD1 3.43Å; K812-D823 IonicContact NZ-OD2 3.66Å; K812-D823 PolarHBondContact NZ-OD2 3.23Å; K812-P924 HydrophobicContact CB-CG 4.41Å; K812-P924 HydrophobicContact CG-CB 3.67Å; K812-P924 HydrophobicContact CG-CG 3.56Å |
| 813 | K | 93 | Very high | 90.3 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | -179.8 | -67 | 168.1 | 60 | 75.6 | 0 | 112.5 | W773 A809 L810 L815 K816 P819 F895 N896 F903 | W773-K813 HydrophobicContact CH2-CD 4.02Å; W773-K813 HydrophobicContact CZ2-CD 4.35Å; A809-K813 VanDerWaalsContact O-CG 3.3Å; A809-K813 WeakPolarHBondContact O-CG 3.38Å; A809-K813 PolarHBondContact O-N 2.95Å; L810-K813 PolarHBondContact O-N 3.37Å; L810-K813 VanDerWaalsContact O-N 3.17Å; K813-L815 PolarHBondContact O-N 3.43Å; K813-K816 PolarHBondContact O-N 3.45Å; K813-P819 HydrophobicContact CD-CG 4.21Å; K813-P819 HydrophobicContact CG-CG 3.84Å; K813-F895 VanDerWaalsContact CE-O 3.23Å; K813-F895 WeakPolarHBondContact CE-O 3.23Å; K813-F895 PolarHBondContact NZ-O 3.2Å; K813-N896 PolarHBondContact NZ-OD1 3.14Å; K813-F903 HydrophobicContact CB-CE1 3.9Å; K813-F903 HydrophobicContact CB-CE2 3.7Å; K813-F903 HydrophobicContact CB-CZ 3.28Å; K813-F903 HydrophobicContact CD-CD2 4.38Å; K813-F903 HydrophobicContact CD-CE2 4.19Å; K813-F903 HydrophobicContact CD-CZ 4.37Å; K813-F903 VanDerWaalsContact CE-CD1 3.5Å; K813-F903 VanDerWaalsContact CE-CE2 3.47Å; K813-F903 HydrophobicContact CG-CZ 4.38Å |
| 814 | L | 91.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -35.2 | 174.5 | -75.6 | 177.2 | 0 | 0 | 0 | 112.7 | L810 Y811 K812 K816 F906 Y907 F910 H911 L927 | L810-L814 HydrophobicContact CG-CD1 4.43Å; L810-L814 WeakPolarHBondContact O-CG 3.38Å; L810-L814 PolarHBondContact O-N 3.01Å; Y811-L814 HydrophobicContact CD1-CD1 4.44Å; Y811-L814 PolarHBondContact O-N 2.76Å; K812-L814 PolarHBondContact O-N 2.95Å; L814-K816 VanDerWaalsContact C-N 3.32Å; L814-F906 HydrophobicContact CD1-CE1 4.24Å; L814-F906 HydrophobicContact CD2-CD1 4.25Å; L814-F906 HydrophobicContact CD2-CE1 3.96Å; L814-F906 HydrophobicContact CG-CE1 4.42Å; L814-Y907 HydrophobicContact CD2-CD2 4.14Å; L814-F910 HydrophobicContact CD1-CD1 4.36Å; L814-F910 HydrophobicContact CD1-CD2 4.26Å; L814-F910 HydrophobicContact CD1-CE1 4.17Å; L814-F910 HydrophobicContact CD1-CE2 4.07Å; L814-F910 HydrophobicContact CD1-CG 4.39Å; L814-F910 HydrophobicContact CD1-CZ 4.03Å; L814-F910 HydrophobicContact CD2-CB 4.11Å; L814-F910 HydrophobicContact CD2-CD1 3.77Å; L814-F910 HydrophobicContact CD2-CD2 4.47Å; L814-F910 HydrophobicContact CD2-CE1 4.3Å; L814-F910 HydrophobicContact CD2-CG 3.86Å; L814-H911 PolarHBondContact O-NE2 3.34Å; L814-H911 VanDerWaalsContact O-NE2 3.09Å; L814-L927 HydrophobicContact CB-CD2 4.28Å; L814-L927 HydrophobicContact CD1-CD2 4.48Å |
| 815 | L | 90.5 | Very high | 91.6 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 12% | 0.12 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 14.3 | 175.6 | -62.5 | 176.6 | 0 | 0 | 0 | 113.4 | Y811 K812 K813 R817 L919 F922 P924 L927 | Y811-L815 WeakPolarHBondContact O-CG 3.35Å; Y811-L815 PolarHBondContact O-N 3.29Å; Y811-L815 VanDerWaalsContact O-N 3.12Å; K812-L815 CarbonylContact O-C 3.51Å; K812-L815 PolarHBondContact O-N 3.32Å; K813-L815 PolarHBondContact O-N 3.43Å; L815-R817 HydrophobicContact CB-CG 4.42Å; L815-R817 PolarHBondContact O-N 2.95Å; L815-L919 HydrophobicContact CD2-CB 4.15Å; L815-L919 VanDerWaalsContact CD2-O 3.3Å; L815-L919 WeakPolarHBondContact CD2-O 3.48Å; L815-F922 WeakPolarHBondContact CD1-O 3.17Å; L815-P924 HydrophobicContact CD1-CG 4.17Å; L815-L927 HydrophobicContact CD1-CB 4.34Å; L815-L927 HydrophobicContact CD1-CD2 3.96Å; L815-L927 HydrophobicContact CD2-CD2 3.92Å; L815-L927 HydrophobicContact CG-CD2 3.71Å |
| 816 | K | 90.2 | Very high | 92 | Very high | 159 Ų | 159 | 41.7 Ų | 41.7 | 69% | 0.691 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 26.6 | -179.5 | -54.6 | 175.2 | -178.2 | 170.9 | 0 | 114.4 | K812 K813 L814 Y907 | K812-K816 PolarHBondContact O-N 2.86Å; K812-K816 VanDerWaalsContact O-N 3.15Å; K813-K816 PolarHBondContact O-N 3.45Å; L814-K816 VanDerWaalsContact C-N 3.32Å; K816-Y907 WeakPolarHBondContact CE-OH 3.32Å |
| 817 | R | 89.4 | Confident | 92.2 | Very high | 87 Ų | 87 | 41.6 Ų | 41.6 | 33% | 0.328 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -93.8 | 148.4 | 172 | -58.6 | -163.7 | -176.2 | -169.4 | 10.5 | 110.8 | E603 K812 L815 Q923 | E603-R817 IonicContact OE1-NH1 3.72Å; K812-R817 CarbonylContact C-O 3.57Å; K812-R817 HydrophobicContact CB-CB 4.11Å; K812-R817 HydrophobicContact CG-CB 4.39Å; K812-R817 WeakPolarHBondContact O-CA 3.43Å; K812-R817 PolarHBondContact O-N 2.88Å; L815-R817 HydrophobicContact CB-CG 4.42Å; L815-R817 PolarHBondContact O-N 2.95Å; R817-Q923 VanDerWaalsContact CZ-OE1 3.28Å; R817-Q923 VanDerWaalsContact NH2-CD 3.33Å |
| 818 | K | 90.1 | Very high | 92.2 | Very high | 185 Ų | 185 | 43.7 Ų | 43.7 | 80% | 0.804 | 20% | 0.202 | S | C | * | . | P | Polyproline II helix | trans | -79.3 | 131.7 | -179.9 | -65.8 | -175 | 179 | -176.1 | 0 | 110.6 | ||
| 819 | P | 93.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 43 Ų | 43 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 156 | 164.3 | -22.8 | 35.6 | 0 | 0 | 0 | 111.7 | A809 K813 D823 V891 F895 | A809-P819 HydrophobicContact CB-CB 4.3Å; A809-P819 HydrophobicContact CB-CG 4.34Å; K813-P819 HydrophobicContact CD-CG 4.21Å; K813-P819 HydrophobicContact CG-CG 3.84Å; P819-D823 WeakPolarHBondContact CA-OD2 3.34Å; P819-D823 HydrophobicContact CB-CB 4.49Å; P819-V891 HydrophobicContact CB-CG1 4.44Å; P819-F895 HydrophobicContact CB-CB 4.03Å; P819-F895 HydrophobicContact CB-CD2 3.56Å; P819-F895 HydrophobicContact CB-CE2 4.17Å; P819-F895 HydrophobicContact CB-CG 3.87Å; P819-F895 HydrophobicContact CG-CB 3.79Å; P819-F895 HydrophobicContact CG-CD2 4.27Å; P819-F895 HydrophobicContact CG-CG 4.08Å |
| 820 | T | 91.6 | Very high | 92 | Very high | 62 Ų | 62 | 46.8 Ų | 46.8 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | trans | -131.6 | 171.5 | -172.7 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | K812 E822 D823 L824 | K812-T820 PolarHBondContact NZ-OG1 3.4Å; T820-E822 PolarHBondContact O-N 3.17Å; T820-D823 PolarHBondContact N-OD2 3.13Å; T820-D823 WeakPolarHBondContact O-CB 3.46Å; T820-D823 PolarHBondContact O-N 3.43Å; T820-D823 PolarHBondContact OG1-OD2 2.96Å; T820-L824 PolarHBondContact O-N 3.16Å | ||
| 821 | L | 91.6 | Very high | 91.9 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -33.8 | 176.4 | 179.9 | 60.9 | 0 | 0 | 0 | 112.7 | D823 L824 K825 L835 Q836 L839 V887 V891 | L821-D823 VanDerWaalsContact C-N 3.27Å; L821-D823 PolarHBondContact O-N 2.89Å; L821-L824 HydrophobicContact CD1-CB 4.49Å; L821-L824 HydrophobicContact CD1-CD2 4.31Å; L821-L824 WeakPolarHBondContact O-CB 3.46Å; L821-L824 PolarHBondContact O-N 2.93Å; L821-L824 VanDerWaalsContact O-N 3.09Å; L821-K825 PolarHBondContact O-N 2.99Å; L821-L835 HydrophobicContact CD1-CB 3.94Å; L821-L835 HydrophobicContact CD1-CD1 4.32Å; L821-Q836 HydrophobicContact CD2-CB 4.24Å; L821-Q836 VanDerWaalsContact CD2-OE1 3.28Å; L821-L839 HydrophobicContact CD2-CD1 3.84Å; L821-V887 HydrophobicContact CD1-CG1 4.02Å; L821-V887 HydrophobicContact CD2-CG1 4.17Å; L821-V887 HydrophobicContact CG-CG1 4.46Å; L821-V891 HydrophobicContact CD1-CG2 4.46Å |
| 822 | E | 90.4 | Very high | 91.9 | Very high | 112 Ų | 112 | 48.5 Ų | 48.5 | 52% | 0.523 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -35.5 | 174.9 | -65.3 | -54.5 | 126.5 | 0 | 0 | 112.5 | T820 L824 K825 E826 | T820-E822 PolarHBondContact O-N 3.17Å; E822-L824 VanDerWaalsContact C-N 3.3Å; E822-L824 PolarHBondContact O-N 3.39Å; E822-K825 PolarHBondContact O-N 3.38Å; E822-K825 IonicContact OE1-NZ 2.94Å; E822-K825 PolarHBondContact OE1-NZ 2.96Å; E822-K825 IonicContact OE2-NZ 3.57Å; E822-E826 PolarHBondContact O-N 3.34Å; E822-E826 VanDerWaalsContact O-N 3.11Å |
| 823 | D | 93.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.011 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.5 | -31.1 | 175.8 | -53 | -69.8 | 0 | 0 | 0 | 111.5 | A809 K812 P819 T820 L821 E826 L827 F895 | A809-D823 HydrophobicContact CB-CB 4.03Å; K812-D823 WeakPolarHBondContact CD-OD1 3.36Å; K812-D823 WeakPolarHBondContact CD-OD2 3.25Å; K812-D823 VanDerWaalsContact CE-OD1 3.31Å; K812-D823 WeakPolarHBondContact CE-OD1 3.26Å; K812-D823 IonicContact NZ-OD1 2.89Å; K812-D823 PolarHBondContact NZ-OD1 3.43Å; K812-D823 IonicContact NZ-OD2 3.66Å; K812-D823 PolarHBondContact NZ-OD2 3.23Å; P819-D823 WeakPolarHBondContact CA-OD2 3.34Å; P819-D823 HydrophobicContact CB-CB 4.49Å; T820-D823 PolarHBondContact N-OD2 3.13Å; T820-D823 WeakPolarHBondContact O-CB 3.46Å; T820-D823 PolarHBondContact O-N 3.43Å; T820-D823 PolarHBondContact OG1-OD2 2.96Å; L821-D823 VanDerWaalsContact C-N 3.27Å; L821-D823 PolarHBondContact O-N 2.89Å; D823-E826 WeakPolarHBondContact O-CB 3.34Å; D823-E826 PolarHBondContact O-N 3.05Å; D823-L827 PolarHBondContact O-N 3.26Å; D823-F895 HydrophobicContact CB-CE2 4.1Å; D823-F895 HydrophobicContact CB-CZ 4.09Å; D823-F895 WeakPolarHBondContact O-CZ 3.3Å |
| 824 | L | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.5 | -38 | 174 | -171.4 | 65.3 | 0 | 0 | 0 | 111.3 | T820 L821 E822 E826 L827 M828 V831 L835 Y890 V891 V894 F895 | T820-L824 PolarHBondContact O-N 3.16Å; L821-L824 HydrophobicContact CD1-CB 4.49Å; L821-L824 HydrophobicContact CD1-CD2 4.31Å; L821-L824 WeakPolarHBondContact O-CB 3.46Å; L821-L824 PolarHBondContact O-N 2.93Å; L821-L824 VanDerWaalsContact O-N 3.09Å; E822-L824 VanDerWaalsContact C-N 3.3Å; E822-L824 PolarHBondContact O-N 3.39Å; L824-E826 PolarHBondContact O-N 3.21Å; L824-L827 PolarHBondContact O-N 2.92Å; L824-M828 HydrophobicContact CD1-CB 4.49Å; L824-M828 HydrophobicContact CD1-SD 4.38Å; L824-M828 CarbonylContact O-C 3.27Å; L824-M828 WeakPolarHBondContact O-CA 3.3Å; L824-M828 PolarHBondContact O-N 3.38Å; L824-V831 HydrophobicContact CD2-CG1 4.43Å; L824-L835 HydrophobicContact CD2-CD1 3.65Å; L824-Y890 HydrophobicContact CD2-CD1 3.93Å; L824-Y890 HydrophobicContact CD2-CE1 4.2Å; L824-V891 HydrophobicContact CB-CG2 4.39Å; L824-V891 HydrophobicContact CD2-CG2 4.04Å; L824-V894 HydrophobicContact CD1-CB 4.38Å; L824-V894 HydrophobicContact CD1-CG1 4.08Å; L824-V894 HydrophobicContact CD1-CG2 4.33Å; L824-F895 HydrophobicContact CB-CE2 3.98Å; L824-F895 HydrophobicContact CB-CZ 4.42Å; L824-F895 HydrophobicContact CD1-CE2 4.13Å; L824-F895 HydrophobicContact CD1-CZ 4.28Å |
| 825 | K | 92.9 | Very high | 92 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 20% | 0.204 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -32 | 172.6 | -70.1 | 173.5 | -174.1 | 166.8 | 0 | 112.3 | L821 E822 P829 G832 | L821-K825 PolarHBondContact O-N 2.99Å; E822-K825 PolarHBondContact O-N 3.38Å; E822-K825 IonicContact OE1-NZ 2.94Å; E822-K825 PolarHBondContact OE1-NZ 2.96Å; E822-K825 IonicContact OE2-NZ 3.57Å; K825-P829 VanDerWaalsContact O-CA 3.24Å; K825-P829 WeakPolarHBondContact O-CA 3.21Å; K825-P829 WeakPolarHBondContact O-CG 3.49Å; K825-G832 WeakPolarHBondContact CE-O 3.49Å |
| 826 | E | 93.1 | Very high | 92.1 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 173.9 | -171 | -171.1 | 179.9 | 0 | 0 | 111.5 | S769 L771 P807 L808 E822 D823 L824 | S769-E826 WeakPolarHBondContact CB-O 3.29Å; L771-E826 HydrophobicContact CD1-CG 3.96Å; P807-E826 HydrophobicContact CB-CG 4.42Å; L808-E826 WeakPolarHBondContact CB-OE2 3.48Å; L808-E826 PolarHBondContact N-OE1 3.08Å; L808-E826 PolarHBondContact N-OE2 3Å; E822-E826 PolarHBondContact O-N 3.34Å; E822-E826 VanDerWaalsContact O-N 3.11Å; D823-E826 WeakPolarHBondContact O-CB 3.34Å; D823-E826 PolarHBondContact O-N 3.05Å; L824-E826 PolarHBondContact O-N 3.21Å |
| 827 | L | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -76.8 | -48.5 | -178.1 | -178.1 | 63.8 | 0 | 0 | 0 | 113.2 | Y766 S769 L771 W773 P807 D823 L824 V894 F895 | Y766-L827 HydrophobicContact CD2-CD1 3.76Å; Y766-L827 HydrophobicContact CD2-CG 4.49Å; Y766-L827 HydrophobicContact CE1-CG 4.5Å; Y766-L827 HydrophobicContact CE2-CD1 3.95Å; Y766-L827 HydrophobicContact CE2-CG 4.42Å; Y766-L827 HydrophobicContact CG-CD1 4.11Å; S769-L827 WeakPolarHBondContact CB-O 3.3Å; S769-L827 PolarHBondContact OG-O 3.27Å; L771-L827 HydrophobicContact CB-CD1 4.19Å; W773-L827 HydrophobicContact CB-CD1 4.01Å; W773-L827 HydrophobicContact CB-CD2 4.04Å; W773-L827 HydrophobicContact CD2-CD2 4.29Å; W773-L827 HydrophobicContact CG-CD2 3.91Å; P807-L827 HydrophobicContact CB-CB 4.41Å; P807-L827 HydrophobicContact CG-CB 4.44Å; P807-L827 HydrophobicContact CG-CD1 4.16Å; D823-L827 PolarHBondContact O-N 3.26Å; L824-L827 PolarHBondContact O-N 2.92Å; L827-V894 HydrophobicContact CD2-CG1 4.28Å; L827-F895 HydrophobicContact CB-CZ 4.34Å; L827-F895 HydrophobicContact CD2-CE1 3.78Å; L827-F895 HydrophobicContact CD2-CZ 4.19Å |
| 828 | M | 92.9 | Very high | 92.2 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | trans | -129.7 | 81.2 | -175.9 | -62.1 | -179.8 | 74.9 | 0 | 0 | 109.7 | Y766 L824 D830 V831 G832 | Y766-M828 HydrophobicContact CD1-CG 3.85Å; Y766-M828 HydrophobicContact CE1-CE 4.26Å; Y766-M828 HydrophobicContact CE1-CG 3.59Å; Y766-M828 HydrophobicContact CE1-SD 3.86Å; L824-M828 HydrophobicContact CD1-CB 4.49Å; L824-M828 HydrophobicContact CD1-SD 4.38Å; L824-M828 CarbonylContact O-C 3.27Å; L824-M828 WeakPolarHBondContact O-CA 3.3Å; L824-M828 PolarHBondContact O-N 3.38Å; M828-D830 VanDerWaalsContact C-N 3.33Å; M828-D830 PolarHBondContact O-N 3.03Å; M828-V831 HydrophobicContact CB-CB 4.16Å; M828-V831 HydrophobicContact CB-CG2 4.47Å; M828-V831 HydrophobicContact CE-CB 4.36Å; M828-V831 HydrophobicContact CE-CG2 3.67Å; M828-V831 PolarHBondContact O-N 2.62Å; M828-G832 PolarHBondContact O-N 2.99Å | ||
| 829 | P | 92.3 | Very high | 92.3 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 14% | 0.143 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.3 | -43.5 | -172.3 | -26.6 | 34.6 | 0 | 0 | 0 | 114 | K825 G832 R833 | K825-P829 VanDerWaalsContact O-CA 3.24Å; K825-P829 WeakPolarHBondContact O-CA 3.21Å; K825-P829 WeakPolarHBondContact O-CG 3.49Å; P829-G832 PolarHBondContact O-N 2.78Å; P829-R833 WeakPolarHBondContact O-CB 3.34Å; P829-R833 VanDerWaalsContact O-CG 3.29Å; P829-R833 WeakPolarHBondContact O-CG 3.37Å; P829-R833 PolarHBondContact O-N 3.36Å |
| 830 | D | 91.2 | Very high | 92.1 | Very high | 79 Ų | 79 | 48.6 Ų | 48.6 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.1 | -48.1 | -175.8 | -73.2 | -6.9 | 0 | 0 | 0 | 112 | M828 G832 R833 S834 | M828-D830 VanDerWaalsContact C-N 3.33Å; M828-D830 PolarHBondContact O-N 3.03Å; D830-G832 VanDerWaalsContact C-N 3.33Å; D830-G832 PolarHBondContact O-N 3.23Å; D830-R833 PolarHBondContact O-N 3.09Å; D830-R833 IonicContact OD1-NH1 2.79Å; D830-R833 PolarHBondContact OD1-NH1 2.86Å; D830-S834 PolarHBondContact O-N 2.8Å; D830-S834 PolarHBondContact O-OG 2.78Å |
| 831 | V | 91.4 | Very high | 92 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L824 M828 R833 S834 L835 Y890 | L824-V831 HydrophobicContact CD2-CG1 4.43Å; M828-V831 HydrophobicContact CB-CB 4.16Å; M828-V831 HydrophobicContact CB-CG2 4.47Å; M828-V831 HydrophobicContact CE-CB 4.36Å; M828-V831 HydrophobicContact CE-CG2 3.67Å; M828-V831 PolarHBondContact O-N 2.62Å; V831-R833 VanDerWaalsContact C-N 3.33Å; V831-R833 PolarHBondContact O-N 3.19Å; V831-S834 PolarHBondContact O-N 3.16Å; V831-L835 HydrophobicContact CG1-CD1 4.1Å; V831-L835 HydrophobicContact CG1-CG 4.4Å; V831-L835 WeakPolarHBondContact O-CG 3.41Å; V831-L835 PolarHBondContact O-N 3.19Å; V831-Y890 HydrophobicContact CG1-CE1 3.85Å; V831-Y890 HydrophobicContact CG1-CE2 4.5Å |
| 832 | G | 92.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K825 M828 P829 D830 Q836 | K825-G832 WeakPolarHBondContact CE-O 3.49Å; M828-G832 PolarHBondContact O-N 2.99Å; P829-G832 PolarHBondContact O-N 2.78Å; D830-G832 VanDerWaalsContact C-N 3.33Å; D830-G832 PolarHBondContact O-N 3.23Å; G832-Q836 PolarHBondContact O-N 2.92Å; G832-Q836 VanDerWaalsContact O-N 3.13Å |
| 833 | R | 92.8 | Very high | 91.5 | Very high | 146 Ų | 146 | 52.3 Ų | 52.3 | 55% | 0.551 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.5 | -44.7 | 174 | -73.2 | 179.3 | -150.1 | 145.7 | 8.7 | 111.6 | P829 D830 V831 L835 Q836 E837 | P829-R833 WeakPolarHBondContact O-CB 3.34Å; P829-R833 VanDerWaalsContact O-CG 3.29Å; P829-R833 WeakPolarHBondContact O-CG 3.37Å; P829-R833 PolarHBondContact O-N 3.36Å; D830-R833 PolarHBondContact O-N 3.09Å; D830-R833 IonicContact OD1-NH1 2.79Å; D830-R833 PolarHBondContact OD1-NH1 2.86Å; V831-R833 VanDerWaalsContact C-N 3.33Å; V831-R833 PolarHBondContact O-N 3.19Å; R833-L835 VanDerWaalsContact C-N 3.32Å; R833-L835 PolarHBondContact O-N 3.29Å; R833-Q836 WeakPolarHBondContact O-CA 3.3Å; R833-Q836 WeakPolarHBondContact O-CB 3.28Å; R833-Q836 PolarHBondContact O-N 2.84Å; R833-E837 WeakPolarHBondContact O-CG 3.33Å; R833-E837 PolarHBondContact O-N 3.27Å |
| 834 | S | 92.1 | Very high | 90.8 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | D830 V831 Q836 E837 L838 | D830-S834 PolarHBondContact O-N 2.8Å; D830-S834 PolarHBondContact O-OG 2.78Å; V831-S834 PolarHBondContact O-N 3.16Å; S834-Q836 VanDerWaalsContact C-N 3.34Å; S834-E837 PolarHBondContact O-N 3.19Å; S834-L838 PolarHBondContact O-N 3.47Å; S834-L838 VanDerWaalsContact O-N 3.1Å |
| 835 | L | 93.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.3 | -31.9 | 174.2 | -68.3 | 177.8 | 0 | 0 | 0 | 112.5 | L821 L824 V831 R833 L839 F886 V887 Y890 | L821-L835 HydrophobicContact CD1-CB 3.94Å; L821-L835 HydrophobicContact CD1-CD1 4.32Å; L824-L835 HydrophobicContact CD2-CD1 3.65Å; V831-L835 HydrophobicContact CG1-CD1 4.1Å; V831-L835 HydrophobicContact CG1-CG 4.4Å; V831-L835 WeakPolarHBondContact O-CG 3.41Å; V831-L835 PolarHBondContact O-N 3.19Å; R833-L835 VanDerWaalsContact C-N 3.32Å; R833-L835 PolarHBondContact O-N 3.29Å; L835-L839 WeakPolarHBondContact O-CG 3.22Å; L835-L839 PolarHBondContact O-N 3.1Å; L835-F886 HydrophobicContact CD2-CD1 4.26Å; L835-F886 HydrophobicContact CD2-CE1 3.73Å; L835-V887 HydrophobicContact CB-CG1 4.47Å; L835-V887 HydrophobicContact CB-CG2 4.2Å; L835-V887 HydrophobicContact CD2-CG2 4.25Å; L835-Y890 HydrophobicContact CD1-CD1 3.98Å; L835-Y890 HydrophobicContact CD1-CD2 4.28Å; L835-Y890 HydrophobicContact CD1-CE1 4.45Å; L835-Y890 HydrophobicContact CD1-CG 3.91Å |
| 836 | Q | 93.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 172 | -175 | 66.3 | 58.3 | 0 | 0 | 111.2 | L821 G832 R833 S834 L838 L839 D840 | L821-Q836 HydrophobicContact CD2-CB 4.24Å; L821-Q836 VanDerWaalsContact CD2-OE1 3.28Å; G832-Q836 PolarHBondContact O-N 2.92Å; G832-Q836 VanDerWaalsContact O-N 3.13Å; R833-Q836 WeakPolarHBondContact O-CA 3.3Å; R833-Q836 WeakPolarHBondContact O-CB 3.28Å; R833-Q836 PolarHBondContact O-N 2.84Å; S834-Q836 VanDerWaalsContact C-N 3.34Å; Q836-L838 VanDerWaalsContact C-N 3.27Å; Q836-L838 PolarHBondContact O-N 3.2Å; Q836-L839 WeakPolarHBondContact O-CB 3.21Å; Q836-L839 PolarHBondContact O-N 2.94Å; Q836-D840 WeakPolarHBondContact CG-OD2 3.45Å; Q836-D840 PolarHBondContact NE2-OD1 2.97Å; Q836-D840 PolarHBondContact NE2-OD2 3.14Å; Q836-D840 PolarHBondContact O-N 3.16Å |
| 837 | E | 91.3 | Very high | 89.7 | Confident | 122 Ų | 122 | 60.3 Ų | 60.3 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.8 | -38.5 | 175.8 | -72.4 | 171.6 | -179.3 | 0 | 0 | 111.7 | R833 S834 L839 D840 Y841 | R833-E837 WeakPolarHBondContact O-CG 3.33Å; R833-E837 PolarHBondContact O-N 3.27Å; S834-E837 PolarHBondContact O-N 3.19Å; E837-L839 VanDerWaalsContact C-N 3.32Å; E837-L839 PolarHBondContact O-N 3.35Å; E837-D840 PolarHBondContact O-N 3.49Å; E837-Y841 WeakPolarHBondContact O-CB 3.27Å; E837-Y841 PolarHBondContact O-N 3.33Å |
| 838 | L | 91.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | 173.1 | 178.2 | 66.4 | 0 | 0 | 0 | 112.9 | S834 Q836 I846 F850 L852 V878 R883 F886 V887 | S834-L838 PolarHBondContact O-N 3.47Å; S834-L838 VanDerWaalsContact O-N 3.1Å; Q836-L838 VanDerWaalsContact C-N 3.27Å; Q836-L838 PolarHBondContact O-N 3.2Å; L838-I846 HydrophobicContact CD1-CG2 3.89Å; L838-F850 HydrophobicContact CD1-CD1 4.18Å; L838-F850 HydrophobicContact CD1-CD2 3.9Å; L838-F850 HydrophobicContact CD1-CE1 4.34Å; L838-F850 HydrophobicContact CD1-CE2 4.07Å; L838-F850 HydrophobicContact CD1-CG 3.96Å; L838-F850 HydrophobicContact CD1-CZ 4.28Å; L838-L852 HydrophobicContact CD2-CD1 4.28Å; L838-V878 HydrophobicContact CD2-CG1 4.25Å; L838-R883 HydrophobicContact CG-CB 4.36Å; L838-R883 PolarHBondContact O-NH1 2.83Å; L838-R883 VanDerWaalsContact O-NH1 3.14Å; L838-F886 HydrophobicContact CD2-CD1 3.81Å; L838-F886 HydrophobicContact CD2-CE1 4.2Å; L838-V887 HydrophobicContact CD2-CG2 4.35Å |
| 839 | L | 90.6 | Very high | 89 | Confident | 25 Ų | 25 | 68 Ų | 68 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.3 | -36.5 | 177.1 | -65.9 | 178.7 | 0 | 0 | 0 | 112.2 | L821 L835 Q836 E837 R883 V887 | L821-L839 HydrophobicContact CD2-CD1 3.84Å; L835-L839 WeakPolarHBondContact O-CG 3.22Å; L835-L839 PolarHBondContact O-N 3.1Å; Q836-L839 WeakPolarHBondContact O-CB 3.21Å; Q836-L839 PolarHBondContact O-N 2.94Å; E837-L839 VanDerWaalsContact C-N 3.32Å; E837-L839 PolarHBondContact O-N 3.35Å; L839-R883 HydrophobicContact CD2-CG 4.21Å; L839-R883 PolarHBondContact O-NH1 2.79Å; L839-R883 VanDerWaalsContact O-NH1 3.11Å; L839-R883 PolarHBondContact O-NH2 2.78Å; L839-V887 HydrophobicContact CD1-CG1 4.27Å; L839-V887 HydrophobicContact CD1-CG2 4.27Å; L839-V887 HydrophobicContact CD2-CB 4.46Å; L839-V887 HydrophobicContact CD2-CG2 3.88Å; L839-V887 HydrophobicContact CG-CG2 3.98Å |
| 840 | D | 90.3 | Very high | 88.7 | Confident | 107 Ų | 107 | 70 Ų | 70 | 57% | 0.572 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -83.1 | -14.6 | -176.5 | -64.9 | -15.2 | 0 | 0 | 0 | 112.6 | Q836 E837 T842 | Q836-D840 WeakPolarHBondContact CG-OD2 3.45Å; Q836-D840 PolarHBondContact NE2-OD1 2.97Å; Q836-D840 PolarHBondContact NE2-OD2 3.14Å; Q836-D840 PolarHBondContact O-N 3.16Å; E837-D840 PolarHBondContact O-N 3.49Å; D840-T842 PolarHBondContact O-N 2.95Å |
| 841 | Y | 89.8 | Confident | 88.5 | Confident | 59 Ų | 59 | 71 Ų | 71 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | trans | -59.6 | 126.8 | 178.2 | -165.2 | -102 | 0 | 0 | 0 | 112.1 | E837 E843 D845 I846 T849 F850 R883 | E837-Y841 WeakPolarHBondContact O-CB 3.27Å; E837-Y841 PolarHBondContact O-N 3.33Å; Y841-E843 HydrophobicContact CD1-CB 4.27Å; Y841-E843 HydrophobicContact CE1-CB 3.53Å; Y841-E843 HydrophobicContact CE1-CG 4.26Å; Y841-D845 VanDerWaalsContact CE1-OD1 3.23Å; Y841-D845 WeakPolarHBondContact CE1-OD1 3.47Å; Y841-D845 PolarHBondContact OH-OD1 2.85Å; Y841-I846 HydrophobicContact CD1-CD1 4.17Å; Y841-I846 HydrophobicContact CD1-CG1 3.45Å; Y841-I846 VanDerWaalsContact CD1-CG1 3.45Å; Y841-I846 HydrophobicContact CE1-CG1 3.89Å; Y841-I846 HydrophobicContact CG-CG1 4.49Å; Y841-T849 PolarHBondContact OH-OG1 2.9Å; Y841-F850 AromaticContact CD1-CE2 3.98Å; Y841-F850 HydrophobicContact CD1-CE2 3.98Å; Y841-F850 AromaticContact CD2-CE2 3.95Å; Y841-F850 HydrophobicContact CD2-CE2 3.95Å; Y841-F850 HydrophobicContact CD2-CZ 4.05Å; Y841-F850 HydrophobicContact CE1-CE2 4.21Å; Y841-F850 HydrophobicContact CE2-CE2 4.25Å; Y841-F850 AromaticContact CG-CE2 3.81Å; Y841-F850 HydrophobicContact CG-CE2 3.81Å; Y841-F850 HydrophobicContact CG-CZ 4.18Å; Y841-R883 PolarHBondContact O-NH1 3Å | ||
| 842 | T | 84.6 | Confident | 88.6 | Confident | 105 Ų | 105 | 72 Ų | 72 | 64% | 0.644 | 37% | 0.374 | S | S | * | . | trans | -97.5 | -25.5 | -171.3 | 48.4 | 0 | 0 | 0 | 0 | 114.6 | D840 K880 | D840-T842 PolarHBondContact O-N 2.95Å; T842-K880 PolarHBondContact O-NZ 2.87Å | ||
| 843 | E | 85.4 | Confident | 88.6 | Confident | 111 Ų | 111 | 74 Ų | 74 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -72.9 | 158.8 | -175.4 | -51.1 | -58.1 | 137.1 | 0 | 0 | 112.2 | Y841 D845 | Y841-E843 HydrophobicContact CD1-CB 4.27Å; Y841-E843 HydrophobicContact CE1-CB 3.53Å; Y841-E843 HydrophobicContact CE1-CG 4.26Å; E843-D845 VanDerWaalsContact CB-OD1 3.29Å; E843-D845 WeakPolarHBondContact CB-OD1 3.44Å |
| 844 | D | 79.9 | Confident | 88.6 | Confident | 132 Ų | 132 | 67.3 Ų | 67.3 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -86 | -3.8 | -175.6 | -73.9 | -33 | 0 | 0 | 0 | 113.8 | I846 K880 | D844-I846 PolarHBondContact O-N 3.32Å; D844-K880 VanDerWaalsContact OD1-CD 3.26Å; D844-K880 WeakPolarHBondContact OD1-CD 3.47Å; D844-K880 IonicContact OD1-NZ 2.84Å; D844-K880 PolarHBondContact OD1-NZ 2.94Å |
| 845 | D | 86.2 | Confident | 88.7 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | trans | -95 | 30 | -174.9 | 65.9 | -14.3 | 0 | 0 | 0 | 114 | Y841 E843 E847 D848 T849 | Y841-D845 VanDerWaalsContact CE1-OD1 3.23Å; Y841-D845 WeakPolarHBondContact CE1-OD1 3.47Å; Y841-D845 PolarHBondContact OH-OD1 2.85Å; E843-D845 VanDerWaalsContact CB-OD1 3.29Å; E843-D845 WeakPolarHBondContact CB-OD1 3.44Å; D845-E847 VanDerWaalsContact C-N 3.29Å; D845-E847 PolarHBondContact O-N 2.8Å; D845-D848 PolarHBondContact O-N 3.45Å; D845-T849 VanDerWaalsContact CG-OG1 3.31Å; D845-T849 VanDerWaalsContact O-CB 3.28Å; D845-T849 WeakPolarHBondContact O-CB 3.31Å; D845-T849 PolarHBondContact O-N 2.82Å; D845-T849 PolarHBondContact O-OG1 2.87Å; D845-T849 PolarHBondContact OD1-OG1 3.32Å; D845-T849 PolarHBondContact OD2-OG1 2.96Å | ||
| 846 | I | 85.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.7 | -42.7 | -178 | -69.8 | 171 | 0 | 0 | 0 | 112.2 | L838 Y841 D844 T849 F850 K880 | L838-I846 HydrophobicContact CD1-CG2 3.89Å; Y841-I846 HydrophobicContact CD1-CD1 4.17Å; Y841-I846 HydrophobicContact CD1-CG1 3.45Å; Y841-I846 VanDerWaalsContact CD1-CG1 3.45Å; Y841-I846 HydrophobicContact CE1-CG1 3.89Å; Y841-I846 HydrophobicContact CG-CG1 4.49Å; D844-I846 PolarHBondContact O-N 3.32Å; I846-T849 PolarHBondContact O-N 2.86Å; I846-F850 HydrophobicContact CB-CD2 4.47Å; I846-F850 HydrophobicContact CG2-CD2 4.03Å; I846-F850 WeakPolarHBondContact O-CB 3.43Å; I846-F850 WeakPolarHBondContact O-CD2 3.47Å; I846-F850 PolarHBondContact O-N 3.14Å; I846-K880 HydrophobicContact CD1-CB 4.03Å; I846-K880 HydrophobicContact CD1-CG 4.33Å |
| 847 | E | 84.8 | Confident | 88.2 | Confident | 84 Ų | 84 | 68.1 Ų | 68.1 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | -176.8 | -171.9 | 169 | 176.1 | 0 | 0 | 111.6 | D845 C851 N877 | D845-E847 VanDerWaalsContact C-N 3.29Å; D845-E847 PolarHBondContact O-N 2.8Å; E847-C851 VanDerWaalsContact O-CA 3.24Å; E847-C851 WeakPolarHBondContact O-CA 3.33Å; E847-C851 PolarHBondContact O-N 3.21Å; E847-C851 PolarHBondContact O-SG 2.9Å; E847-C851 VanDerWaalsContact O-SG 3.41Å; E847-N877 HydrophobicContact CG-CB 4.04Å; E847-N877 VanDerWaalsContact OE1-CB 3.31Å; E847-N877 WeakPolarHBondContact OE1-CB 3.34Å; E847-N877 PolarHBondContact OE1-ND2 3.16Å |
| 848 | D | 85.4 | Confident | 87.6 | Confident | 135 Ų | 135 | 63.9 Ų | 63.9 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -76.8 | -31.8 | 178.4 | -64.7 | -41 | 0 | 0 | 0 | 112.6 | D845 C851 | D845-D848 PolarHBondContact O-N 3.45Å; D848-C851 PolarHBondContact O-SG 2.88Å |
| 849 | T | 85.3 | Confident | 86.8 | Confident | 70 Ų | 70 | 68.4 Ų | 68.4 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -78.7 | -48.4 | -176.8 | -60.4 | 0 | 0 | 0 | 0 | 112 | Y841 D845 I846 | Y841-T849 PolarHBondContact OH-OG1 2.9Å; D845-T849 VanDerWaalsContact CG-OG1 3.31Å; D845-T849 VanDerWaalsContact O-CB 3.28Å; D845-T849 WeakPolarHBondContact O-CB 3.31Å; D845-T849 PolarHBondContact O-N 2.82Å; D845-T849 PolarHBondContact O-OG1 2.87Å; D845-T849 PolarHBondContact OD1-OG1 3.32Å; D845-T849 PolarHBondContact OD2-OG1 2.96Å; I846-T849 PolarHBondContact O-N 2.86Å |
| 850 | F | 86.5 | Confident | 85.8 | Confident | 63 Ų | 63 | 68 Ų | 68 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -95.2 | -26.5 | -174.1 | -66.6 | -89.4 | 0 | 0 | 0 | 112.4 | L838 Y841 I846 L852 | L838-F850 HydrophobicContact CD1-CD1 4.18Å; L838-F850 HydrophobicContact CD1-CD2 3.9Å; L838-F850 HydrophobicContact CD1-CE1 4.34Å; L838-F850 HydrophobicContact CD1-CE2 4.07Å; L838-F850 HydrophobicContact CD1-CG 3.96Å; L838-F850 HydrophobicContact CD1-CZ 4.28Å; Y841-F850 AromaticContact CD1-CE2 3.98Å; Y841-F850 HydrophobicContact CD1-CE2 3.98Å; Y841-F850 AromaticContact CD2-CE2 3.95Å; Y841-F850 HydrophobicContact CD2-CE2 3.95Å; Y841-F850 HydrophobicContact CD2-CZ 4.05Å; Y841-F850 HydrophobicContact CE1-CE2 4.21Å; Y841-F850 HydrophobicContact CE2-CE2 4.25Å; Y841-F850 AromaticContact CG-CE2 3.81Å; Y841-F850 HydrophobicContact CG-CE2 3.81Å; Y841-F850 HydrophobicContact CG-CZ 4.18Å; I846-F850 HydrophobicContact CB-CD2 4.47Å; I846-F850 HydrophobicContact CG2-CD2 4.03Å; I846-F850 WeakPolarHBondContact O-CB 3.43Å; I846-F850 WeakPolarHBondContact O-CD2 3.47Å; I846-F850 PolarHBondContact O-N 3.14Å; F850-L852 HydrophobicContact CB-CD1 4.07Å; F850-L852 HydrophobicContact CB-CG 3.99Å; F850-L852 PolarHBondContact O-N 3.23Å; F850-L852 VanDerWaalsContact O-N 3.1Å |
| 851 | C | 87.8 | Confident | 84.8 | Confident | 100 Ų | 100 | 71.1 Ų | 71.1 | 68% | 0.676 | 37% | 0.372 | S | S | * | . | trans | 46.2 | 40.6 | -178.9 | -64.4 | 0 | 0 | 0 | 0 | 113.7 | E847 D848 | E847-C851 VanDerWaalsContact O-CA 3.24Å; E847-C851 WeakPolarHBondContact O-CA 3.33Å; E847-C851 PolarHBondContact O-N 3.21Å; E847-C851 PolarHBondContact O-SG 2.9Å; E847-C851 VanDerWaalsContact O-SG 3.41Å; D848-C851 PolarHBondContact O-SG 2.88Å | ||
| 852 | L | 91.5 | Very high | 83.7 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 32% | 0.319 | 40% | 0.395 | S | S | . | . | trans | -92.4 | 144.4 | 179.2 | -62.8 | 173.6 | 0 | 0 | 0 | 110.4 | L838 F850 V878 F886 | L838-L852 HydrophobicContact CD2-CD1 4.28Å; F850-L852 HydrophobicContact CB-CD1 4.07Å; F850-L852 HydrophobicContact CB-CG 3.99Å; F850-L852 PolarHBondContact O-N 3.23Å; F850-L852 VanDerWaalsContact O-N 3.1Å; L852-V878 HydrophobicContact CB-CB 4.03Å; L852-V878 HydrophobicContact CB-CG2 3.79Å; L852-V878 PolarHBondContact O-N 2.96Å; L852-F886 HydrophobicContact CD1-CE1 4.08Å; L852-F886 HydrophobicContact CD1-CZ 4.36Å | ||
| 853 | N | 92.3 | Very high | 83.2 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 21% | 0.214 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -117.4 | 178 | 163 | 61.8 | 11.8 | 0 | 0 | 0 | 109.4 | T855 E874 I876 F886 | N853-T855 PolarHBondContact O-N 3Å; N853-T855 WeakPolarHBondContact OD1-CB 3.26Å; N853-T855 PolarHBondContact OD1-N 3.11Å; N853-T855 PolarHBondContact OD1-OG1 2.9Å; N853-E874 PolarHBondContact ND2-O 3.11Å; N853-E874 VanDerWaalsContact ND2-O 3.13Å; N853-I876 CarbonylContact C-O 3.56Å; N853-I876 WeakPolarHBondContact CA-O 3.04Å; N853-I876 WeakPolarHBondContact CB-O 3.44Å; N853-F886 WeakPolarHBondContact O-CE2 3.31Å |
| 854 | F | 94.3 | Very high | 83 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -78.3 | 45.9 | -179.8 | -81.3 | -115.2 | 0 | 0 | 0 | 112.7 | L869 V870 G873 I876 V878 N882 E885 F886 A889 | F854-L869 PolarHBondContact O-N 3.01Å; F854-V870 HydrophobicContact CB-CG2 3.71Å; F854-V870 HydrophobicContact CD1-CB 4.39Å; F854-V870 HydrophobicContact CD1-CG1 3.86Å; F854-V870 HydrophobicContact CD1-CG2 3.63Å; F854-V870 HydrophobicContact CE1-CG1 4.35Å; F854-V870 HydrophobicContact CE1-CG2 4.49Å; F854-V870 HydrophobicContact CG-CG2 3.9Å; F854-G873 PolarHBondContact N-O 3.29Å; F854-I876 HydrophobicContact CD2-CB 3.96Å; F854-I876 HydrophobicContact CD2-CG2 3.56Å; F854-I876 WeakPolarHBondContact CD2-O 3.13Å; F854-I876 HydrophobicContact CE2-CG2 3.7Å; F854-I876 HydrophobicContact CG-CB 4.47Å; F854-I876 HydrophobicContact CG-CG2 4.36Å; F854-I876 PolarHBondContact N-O 2.78Å; F854-I876 VanDerWaalsContact N-O 3.12Å; F854-V878 HydrophobicContact CD2-CG2 4.02Å; F854-V878 HydrophobicContact CE2-CG2 3.98Å; F854-N882 HydrophobicContact CZ-CB 4.34Å; F854-E885 HydrophobicContact CE1-CB 4.35Å; F854-E885 HydrophobicContact CZ-CB 4.23Å; F854-F886 HydrophobicContact CD1-CD2 4.17Å; F854-F886 HydrophobicContact CD2-CD2 4.16Å; F854-F886 HydrophobicContact CE1-CB 3.98Å; F854-F886 HydrophobicContact CE1-CD2 4.42Å; F854-F886 HydrophobicContact CE2-CB 4.08Å; F854-F886 HydrophobicContact CE2-CD2 4.4Å; F854-F886 HydrophobicContact CG-CD2 4.05Å; F854-F886 HydrophobicContact CZ-CB 3.72Å; F854-A889 HydrophobicContact CD1-CB 4.49Å; F854-A889 HydrophobicContact CE1-CB 4.49Å |
| 855 | T | 92.8 | Very high | 83.2 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 157.3 | 174 | 75.5 | 0 | 0 | 0 | 0 | 111 | N853 V866 L867 E868 E874 | N853-T855 PolarHBondContact O-N 3Å; N853-T855 WeakPolarHBondContact OD1-CB 3.26Å; N853-T855 PolarHBondContact OD1-N 3.11Å; N853-T855 PolarHBondContact OD1-OG1 2.9Å; T855-V866 HydrophobicContact CG2-CG1 4.34Å; T855-L867 CarbonylContact C-O 3.51Å; T855-L867 VanDerWaalsContact CA-O 3.24Å; T855-L867 WeakPolarHBondContact CA-O 3.38Å; T855-E868 HydrophobicContact CG2-CG 4.23Å; T855-E874 HydrophobicContact CG2-CB 4.02Å |
| 856 | I | 90.4 | Very high | 83.3 | Confident | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.082 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.1 | 173.3 | 61.7 | 168.9 | 0 | 0 | 0 | 109.6 | V866 L867 L869 Y890 Y893 | I856-V866 CarbonylContact O-C 3.59Å; I856-V866 WeakPolarHBondContact O-CA 3.48Å; I856-L867 HydrophobicContact CG1-CB 4.04Å; I856-L867 PolarHBondContact N-O 2.92Å; I856-L867 PolarHBondContact O-N 3.12Å; I856-L869 HydrophobicContact CD1-CD2 4.01Å; I856-L869 HydrophobicContact CG1-CD2 4.11Å; I856-L869 HydrophobicContact CG2-CD1 3.85Å; I856-L869 HydrophobicContact CG2-CD2 3.83Å; I856-L869 HydrophobicContact CG2-CG 3.93Å; I856-Y890 HydrophobicContact CB-CE2 4.4Å; I856-Y890 HydrophobicContact CG2-CD2 3.63Å; I856-Y890 HydrophobicContact CG2-CE2 3.37Å; I856-Y893 HydrophobicContact CD1-CD1 3.45Å; I856-Y893 VanDerWaalsContact CD1-CD1 3.45Å; I856-Y893 HydrophobicContact CD1-CE1 3.35Å; I856-Y893 HydrophobicContact CD1-CG 4.23Å |
| 857 | T | 86.3 | Confident | 83.4 | Confident | 103 Ų | 103 | 69 Ų | 69 | 63% | 0.632 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 132.3 | 172.7 | 44.4 | 0 | 0 | 0 | 0 | 109.8 | T864 E865 V866 | T857-T864 HydrophobicContact CG2-CG2 4.25Å; T857-E865 WeakPolarHBondContact CA-O 3.32Å; T857-V866 HydrophobicContact CG2-CG2 4.07Å |
| 858 | E | 79.5 | Confident | 83.7 | Confident | 32 Ų | 32 | 69 Ų | 69 | 15% | 0.15 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.3 | 176.8 | -160.3 | 178 | -159.9 | 0 | 0 | 110.4 | H776 N860 T864 E865 L867 | H776-E858 IonicContact CD2-OE2 3.86Å; H776-E858 IonicContact CE1-OE1 2.6Å; H776-E858 PolarHBondContact CE1-OE1 2.98Å; H776-E858 IonicContact CE1-OE2 3.64Å; H776-E858 PolarHBondContact CE1-OE2 3.09Å; H776-E858 VanDerWaalsContact CE1-OE2 3.23Å; H776-E858 IonicContact ND1-OE1 3.43Å; H776-E858 VanDerWaalsContact NE2-CD 3.26Å; H776-E858 IonicContact NE2-OE1 2.66Å; H776-E858 PolarHBondContact NE2-OE1 3.2Å; H776-E858 IonicContact NE2-OE2 2.72Å; H776-E858 PolarHBondContact NE2-OE2 3.02Å; E858-N860 PolarHBondContact OE2-ND2 3.15Å; E858-T864 WeakPolarHBondContact O-CA 3.48Å; E858-E865 PolarHBondContact N-O 2.94Å; E858-E865 PolarHBondContact O-N 3.12Å; E858-L867 HydrophobicContact CB-CD1 4.37Å |
| 859 | D | 74.1 | Confident | 84 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 114.4 | 175.5 | -169.2 | -6.1 | 0 | 0 | 0 | 109.7 | G862 A863 | D859-G862 VanDerWaalsContact OD1-CA 3.27Å; D859-G862 WeakPolarHBondContact OD1-CA 3.38Å; D859-G862 PolarHBondContact OD1-N 2.86Å; D859-A863 PolarHBondContact OD1-N 3.21Å |
| 860 | N | 69.6 | Low | 84.2 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 10% | 0.096 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 109.9 | 180 | -73 | -55.8 | 0 | 0 | 0 | 109.4 | H776 K777 E858 G862 A863 | H776-N860 PolarHBondContact CE1-OD1 3Å; H776-N860 PolarHBondContact NE2-ND2 2.86Å; K777-N860 HydrophobicContact CD-CB 3.95Å; K777-N860 WeakPolarHBondContact CE-ND2 3.42Å; K777-N860 PolarHBondContact NZ-ND2 2.89Å; E858-N860 PolarHBondContact OE2-ND2 3.15Å; N860-G862 PolarHBondContact O-N 2.89Å; N860-A863 PolarHBondContact N-O 2.89Å; N860-A863 PolarHBondContact O-N 2.81Å; N860-A863 VanDerWaalsContact O-N 3.09Å |
| 861 | Y | 68.3 | Low | 84.4 | Confident | 172 Ų | 172 | 63.3 Ų | 63.3 | 68% | 0.675 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 33.3 | -180 | -54.6 | -81.9 | 0 | 0 | 0 | 113.9 | K777 | K777-Y861 HydrophobicContact CB-CE2 4.45Š|
| 862 | G | 67 | Low | 84.5 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 71% | 0.711 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 6.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D859 N860 | D859-G862 VanDerWaalsContact OD1-CA 3.27Å; D859-G862 WeakPolarHBondContact OD1-CA 3.38Å; D859-G862 PolarHBondContact OD1-N 2.86Å; N860-G862 PolarHBondContact O-N 2.89Å |
| 863 | A | 74.4 | Confident | 84.3 | Confident | 52 Ų | 52 | 61 Ų | 61 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | D859 N860 | D859-A863 PolarHBondContact OD1-N 3.21Å; N860-A863 PolarHBondContact N-O 2.89Å; N860-A863 PolarHBondContact O-N 2.81Å; N860-A863 VanDerWaalsContact O-N 3.09Å |
| 864 | T | 80.8 | Confident | 84.2 | Confident | 98 Ų | 98 | 65 Ų | 65 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 118.4 | 174.4 | -44.7 | 0 | 0 | 0 | 0 | 110 | T857 E858 | T857-T864 HydrophobicContact CG2-CG2 4.25Å; E858-T864 WeakPolarHBondContact O-CA 3.48Å |
| 865 | E | 85.7 | Confident | 84.1 | Confident | 77 Ų | 77 | 71 Ų | 71 | 36% | 0.36 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.4 | 173.1 | -73.6 | 175.9 | -170.9 | 0 | 0 | 110.1 | K777 T857 E858 | K777-E865 IonicContact NZ-OE1 3.93Å; K777-E865 PolarHBondContact NZ-OE1 2.86Å; K777-E865 IonicContact NZ-OE2 3.9Å; K777-E865 PolarHBondContact NZ-OE2 2.9Å; T857-E865 WeakPolarHBondContact CA-O 3.32Å; E858-E865 PolarHBondContact N-O 2.94Å; E858-E865 PolarHBondContact O-N 3.12Å |
| 866 | V | 86.9 | Confident | 84 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.2 | 172.5 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | T855 I856 T857 | T855-V866 HydrophobicContact CG2-CG1 4.34Å; I856-V866 CarbonylContact O-C 3.59Å; I856-V866 WeakPolarHBondContact O-CA 3.48Å; T857-V866 HydrophobicContact CG2-CG2 4.07Å |
| 867 | L | 88.4 | Confident | 84.1 | Confident | 42 Ų | 42 | 75.6 Ų | 75.6 | 22% | 0.22 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.8 | -175.1 | -60.1 | 172.7 | 0 | 0 | 0 | 110.2 | T855 I856 E858 Y893 | T855-L867 CarbonylContact C-O 3.51Å; T855-L867 VanDerWaalsContact CA-O 3.24Å; T855-L867 WeakPolarHBondContact CA-O 3.38Å; I856-L867 HydrophobicContact CG1-CB 4.04Å; I856-L867 PolarHBondContact N-O 2.92Å; I856-L867 PolarHBondContact O-N 3.12Å; E858-L867 HydrophobicContact CB-CD1 4.37Å; L867-Y893 WeakPolarHBondContact CD1-OH 3.39Å |
| 868 | E | 91.3 | Very high | 84.4 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 40% | 0.397 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127.2 | 176.5 | -57.2 | -162.3 | 128.2 | 0 | 0 | 111.5 | T855 V870 N872 G873 E874 | T855-E868 HydrophobicContact CG2-CG 4.23Å; E868-V870 WeakPolarHBondContact CB-O 3.5Å; E868-N872 WeakPolarHBondContact OE1-CA 3.47Å; E868-N872 PolarHBondContact OE2-N 3.05Å; E868-N872 VanDerWaalsContact OE2-N 3.13Å; E868-G873 PolarHBondContact OE1-N 2.84Å; E868-E874 WeakPolarHBondContact OE1-CB 3.15Å; E868-E874 PolarHBondContact OE1-N 3.18Å |
| 869 | L | 91.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -74.1 | -31.7 | 177.6 | -65.1 | 178.8 | 0 | 0 | 0 | 112.3 | F854 I856 F886 A889 Y890 Y893 K897 | F854-L869 PolarHBondContact O-N 3.01Å; I856-L869 HydrophobicContact CD1-CD2 4.01Å; I856-L869 HydrophobicContact CG1-CD2 4.11Å; I856-L869 HydrophobicContact CG2-CD1 3.85Å; I856-L869 HydrophobicContact CG2-CD2 3.83Å; I856-L869 HydrophobicContact CG2-CG 3.93Å; L869-F886 HydrophobicContact CD1-CD2 4.03Å; L869-F886 HydrophobicContact CD1-CE2 3.68Å; L869-F886 HydrophobicContact CD1-CZ 4.39Å; L869-A889 HydrophobicContact CB-CB 4.12Å; L869-A889 HydrophobicContact CD1-CB 4.45Å; L869-Y890 HydrophobicContact CD1-CD2 4.23Å; L869-Y893 HydrophobicContact CD2-CD1 4.29Å; L869-Y893 HydrophobicContact CD2-CD2 4.22Å; L869-Y893 HydrophobicContact CD2-CG 3.75Å; L869-K897 PolarHBondContact O-NZ 3.3Å |
| 870 | V | 90.3 | Very high | 85.5 | Confident | 39 Ų | 39 | 71.6 Ų | 71.6 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -135 | 159 | 177.8 | -58.2 | 0 | 0 | 0 | 0 | 109.5 | F854 E868 N872 G873 I876 A889 | F854-V870 HydrophobicContact CB-CG2 3.71Å; F854-V870 HydrophobicContact CD1-CB 4.39Å; F854-V870 HydrophobicContact CD1-CG1 3.86Å; F854-V870 HydrophobicContact CD1-CG2 3.63Å; F854-V870 HydrophobicContact CE1-CG1 4.35Å; F854-V870 HydrophobicContact CE1-CG2 4.49Å; F854-V870 HydrophobicContact CG-CG2 3.9Å; E868-V870 WeakPolarHBondContact CB-O 3.5Å; V870-N872 PolarHBondContact O-N 3.18Å; V870-G873 WeakPolarHBondContact O-CA 3.11Å; V870-G873 PolarHBondContact O-N 3.35Å; V870-I876 HydrophobicContact CG2-CD1 3.92Å; V870-A889 HydrophobicContact CG1-CB 4.14Å |
| 871 | P | 89.6 | Confident | 86.4 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 70% | 0.701 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 130 | 179.3 | -22.4 | 33.5 | 0 | 0 | 0 | 112.1 | G873 | P871-G873 PolarHBondContact O-N 2.86Š|
| 872 | N | 89.4 | Confident | 87.6 | Confident | 113 Ų | 113 | 68.3 Ų | 68.3 | 60% | 0.604 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 29.1 | -174.9 | -56.8 | -30.6 | 0 | 0 | 0 | 113.5 | E868 V870 E874 N875 | E868-N872 WeakPolarHBondContact OE1-CA 3.47Å; E868-N872 PolarHBondContact OE2-N 3.05Å; E868-N872 VanDerWaalsContact OE2-N 3.13Å; V870-N872 PolarHBondContact O-N 3.18Å; N872-E874 PolarHBondContact O-N 2.88Å; N872-N875 PolarHBondContact O-N 2.96Å; N872-N875 VanDerWaalsContact O-N 3.11Å |
| 873 | G | 88.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -60.2 | -26 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F854 E868 V870 P871 N875 I876 | F854-G873 PolarHBondContact N-O 3.29Å; E868-G873 PolarHBondContact OE1-N 2.84Å; V870-G873 WeakPolarHBondContact O-CA 3.11Å; V870-G873 PolarHBondContact O-N 3.35Å; P871-G873 PolarHBondContact O-N 2.86Å; G873-N875 PolarHBondContact O-N 2.9Å; G873-I876 PolarHBondContact O-N 2.81Å; G873-I876 VanDerWaalsContact O-N 3.16Å |
| 874 | E | 89.8 | Confident | 89.7 | Confident | 124 Ų | 124 | 69.4 Ų | 69.4 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -59.4 | -29.7 | 175.6 | -169.4 | 175.8 | -166.2 | 0 | 0 | 112.9 | N853 T855 E868 N872 | N853-E874 PolarHBondContact ND2-O 3.11Å; N853-E874 VanDerWaalsContact ND2-O 3.13Å; T855-E874 HydrophobicContact CG2-CB 4.02Å; E868-E874 WeakPolarHBondContact OE1-CB 3.15Å; E868-E874 PolarHBondContact OE1-N 3.18Å; N872-E874 PolarHBondContact O-N 2.88Å |
| 875 | N | 90.6 | Very high | 90.3 | Very high | 132 Ų | 132 | 70.7 Ų | 70.7 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -96.8 | 4.1 | -178.3 | -61.8 | -69.1 | 0 | 0 | 0 | 113.7 | N872 G873 | N872-N875 PolarHBondContact O-N 2.96Å; N872-N875 VanDerWaalsContact O-N 3.11Å; G873-N875 PolarHBondContact O-N 2.9Å |
| 876 | I | 92.2 | Very high | 90.7 | Very high | 60 Ų | 60 | 67.3 Ų | 67.3 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | trans | -111.2 | 105.2 | -178 | -56.1 | 172.8 | 0 | 0 | 0 | 108.2 | N853 F854 V870 G873 | N853-I876 CarbonylContact C-O 3.56Å; N853-I876 WeakPolarHBondContact CA-O 3.04Å; N853-I876 WeakPolarHBondContact CB-O 3.44Å; F854-I876 HydrophobicContact CD2-CB 3.96Å; F854-I876 HydrophobicContact CD2-CG2 3.56Å; F854-I876 WeakPolarHBondContact CD2-O 3.13Å; F854-I876 HydrophobicContact CE2-CG2 3.7Å; F854-I876 HydrophobicContact CG-CB 4.47Å; F854-I876 HydrophobicContact CG-CG2 4.36Å; F854-I876 PolarHBondContact N-O 2.78Å; F854-I876 VanDerWaalsContact N-O 3.12Å; V870-I876 HydrophobicContact CG2-CD1 3.92Å; G873-I876 PolarHBondContact O-N 2.81Å; G873-I876 VanDerWaalsContact O-N 3.16Å | ||
| 877 | N | 91.9 | Very high | 91.1 | Very high | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -76.2 | 145.7 | 175.3 | -65.9 | -18.6 | 0 | 0 | 0 | 111.5 | E847 N882 | E847-N877 HydrophobicContact CG-CB 4.04Å; E847-N877 VanDerWaalsContact OE1-CB 3.31Å; E847-N877 WeakPolarHBondContact OE1-CB 3.34Å; E847-N877 PolarHBondContact OE1-ND2 3.16Å; N877-N882 PolarHBondContact O-ND2 3.27Å |
| 878 | V | 91.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | trans | -83.6 | 125.8 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | L838 L852 F854 N882 R883 F886 | L838-V878 HydrophobicContact CD2-CG1 4.25Å; L852-V878 HydrophobicContact CB-CB 4.03Å; L852-V878 HydrophobicContact CB-CG2 3.79Å; L852-V878 PolarHBondContact O-N 2.96Å; F854-V878 HydrophobicContact CD2-CG2 4.02Å; F854-V878 HydrophobicContact CE2-CG2 3.98Å; V878-N882 WeakPolarHBondContact CA-OD1 3.34Å; V878-R883 HydrophobicContact CG1-CB 4.13Å; V878-F886 HydrophobicContact CG1-CB 4.15Å; V878-F886 HydrophobicContact CG1-CG 4.33Å; V878-F886 HydrophobicContact CG2-CB 3.97Å; V878-F886 HydrophobicContact CG2-CD1 4.26Å; V878-F886 HydrophobicContact CG2-CD2 3.56Å; V878-F886 HydrophobicContact CG2-CE2 4.09Å; V878-F886 HydrophobicContact CG2-CG 3.66Å | ||
| 879 | N | 89.7 | Confident | 91.5 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | trans | -139.4 | -179.5 | -178.6 | 64.6 | 52.4 | 0 | 0 | 0 | 110.8 | S881 N882 R883 | N879-S881 PolarHBondContact O-N 2.81Å; N879-S881 VanDerWaalsContact O-N 3.12Å; N879-S881 WeakPolarHBondContact OD1-CB 3.37Å; N879-S881 PolarHBondContact OD1-N 2.88Å; N879-S881 PolarHBondContact OD1-OG 2.88Å; N879-N882 PolarHBondContact N-OD1 2.87Å; N879-N882 PolarHBondContact O-N 2.86Å; N879-N882 PolarHBondContact O-OD1 2.92Å; N879-N882 VanDerWaalsContact O-OD1 3.1Å; N879-N882 PolarHBondContact OD1-N 3.28Å; N879-N882 PolarHBondContact OD1-OD1 2.9Å; N879-R883 WeakPolarHBondContact O-CB 3.42Å; N879-R883 PolarHBondContact O-N 2.9Å | ||
| 880 | K | 87.6 | Confident | 91.6 | Very high | 98 Ų | 98 | 63.5 Ų | 63.5 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -30.7 | -176.8 | -165.1 | 169.2 | -168.8 | 162.5 | 0 | 114.1 | T842 D844 I846 | T842-K880 PolarHBondContact O-NZ 2.87Å; D844-K880 VanDerWaalsContact OD1-CD 3.26Å; D844-K880 WeakPolarHBondContact OD1-CD 3.47Å; D844-K880 IonicContact OD1-NZ 2.84Å; D844-K880 PolarHBondContact OD1-NZ 2.94Å; I846-K880 HydrophobicContact CD1-CB 4.03Å; I846-K880 HydrophobicContact CD1-CG 4.33Å |
| 881 | S | 89.7 | Confident | 91.9 | Very high | 103 Ų | 103 | 62.1 Ų | 62.1 | 72% | 0.72 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -28.9 | -176.5 | 70.7 | 0 | 0 | 0 | 0 | 113.9 | N879 | N879-S881 PolarHBondContact O-N 2.81Å; N879-S881 VanDerWaalsContact O-N 3.12Å; N879-S881 WeakPolarHBondContact OD1-CB 3.37Å; N879-S881 PolarHBondContact OD1-N 2.88Å; N879-S881 PolarHBondContact OD1-OG 2.88Å |
| 882 | N | 92.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 60 Ų | 60 | 10% | 0.096 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -0.3 | -173.5 | 68.7 | 7.3 | 0 | 0 | 0 | 114.3 | F854 N877 V878 N879 Q884 E885 F886 | F854-N882 HydrophobicContact CZ-CB 4.34Å; N877-N882 PolarHBondContact O-ND2 3.27Å; V878-N882 WeakPolarHBondContact CA-OD1 3.34Å; N879-N882 PolarHBondContact N-OD1 2.87Å; N879-N882 PolarHBondContact O-N 2.86Å; N879-N882 PolarHBondContact O-OD1 2.92Å; N879-N882 VanDerWaalsContact O-OD1 3.1Å; N879-N882 PolarHBondContact OD1-N 3.28Å; N879-N882 PolarHBondContact OD1-OD1 2.9Å; N882-Q884 PolarHBondContact O-N 3.09Å; N882-E885 WeakPolarHBondContact O-CA 3.4Å; N882-E885 WeakPolarHBondContact O-CB 3.39Å; N882-E885 PolarHBondContact O-N 3.36Å; N882-F886 PolarHBondContact O-N 2.83Å |
| 883 | R | 91.8 | Very high | 92.2 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.9 | -36.3 | 178.7 | 64.9 | -179.2 | -175.8 | 176.3 | 0.7 | 114.7 | L838 L839 Y841 V878 N879 E885 F886 V887 | L838-R883 HydrophobicContact CG-CB 4.36Å; L838-R883 PolarHBondContact O-NH1 2.83Å; L838-R883 VanDerWaalsContact O-NH1 3.14Å; L839-R883 HydrophobicContact CD2-CG 4.21Å; L839-R883 PolarHBondContact O-NH1 2.79Å; L839-R883 VanDerWaalsContact O-NH1 3.11Å; L839-R883 PolarHBondContact O-NH2 2.78Å; Y841-R883 PolarHBondContact O-NH1 3Å; V878-R883 HydrophobicContact CG1-CB 4.13Å; N879-R883 WeakPolarHBondContact O-CB 3.42Å; N879-R883 PolarHBondContact O-N 2.9Å; R883-E885 VanDerWaalsContact C-N 3.34Å; R883-F886 PolarHBondContact O-N 3.44Å; R883-V887 WeakPolarHBondContact O-CG2 3.04Å; R883-V887 PolarHBondContact O-N 2.98Å; R883-V887 VanDerWaalsContact O-N 3.09Å |
| 884 | Q | 93.3 | Very high | 92.4 | Very high | 95 Ų | 95 | 56.6 Ų | 56.6 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 175.7 | -173.9 | 64.8 | 51.4 | 0 | 0 | 110.7 | N882 F886 V887 D888 | N882-Q884 PolarHBondContact O-N 3.09Å; Q884-F886 VanDerWaalsContact C-N 3.32Å; Q884-F886 PolarHBondContact O-N 2.85Å; Q884-V887 PolarHBondContact O-N 2.86Å; Q884-D888 PolarHBondContact NE2-OD1 2.82Å; Q884-D888 WeakPolarHBondContact O-CB 3.26Å; Q884-D888 PolarHBondContact O-N 3.13Å |
| 885 | E | 94.1 | Very high | 92.6 | Very high | 124 Ų | 124 | 50.7 Ų | 50.7 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.6 | -36.4 | 177.3 | -57.2 | -178.2 | -179.5 | 0 | 0 | 111.5 | F854 N882 R883 A889 | F854-E885 HydrophobicContact CE1-CB 4.35Å; F854-E885 HydrophobicContact CZ-CB 4.23Å; N882-E885 WeakPolarHBondContact O-CA 3.4Å; N882-E885 WeakPolarHBondContact O-CB 3.39Å; N882-E885 PolarHBondContact O-N 3.36Å; R883-E885 VanDerWaalsContact C-N 3.34Å; E885-A889 WeakPolarHBondContact O-CB 3.34Å; E885-A889 PolarHBondContact O-N 3.16Å |
| 886 | F | 94.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -50.4 | 173.8 | 176.3 | -102.4 | 0 | 0 | 0 | 111.6 | L835 L838 L852 N853 F854 L869 V878 N882 R883 Q884 D888 A889 Y890 | L835-F886 HydrophobicContact CD2-CD1 4.26Å; L835-F886 HydrophobicContact CD2-CE1 3.73Å; L838-F886 HydrophobicContact CD2-CD1 3.81Å; L838-F886 HydrophobicContact CD2-CE1 4.2Å; L852-F886 HydrophobicContact CD1-CE1 4.08Å; L852-F886 HydrophobicContact CD1-CZ 4.36Å; N853-F886 WeakPolarHBondContact O-CE2 3.31Å; F854-F886 HydrophobicContact CD1-CD2 4.17Å; F854-F886 HydrophobicContact CD2-CD2 4.16Å; F854-F886 HydrophobicContact CE1-CB 3.98Å; F854-F886 HydrophobicContact CE1-CD2 4.42Å; F854-F886 HydrophobicContact CE2-CB 4.08Å; F854-F886 HydrophobicContact CE2-CD2 4.4Å; F854-F886 HydrophobicContact CG-CD2 4.05Å; F854-F886 HydrophobicContact CZ-CB 3.72Å; L869-F886 HydrophobicContact CD1-CD2 4.03Å; L869-F886 HydrophobicContact CD1-CE2 3.68Å; L869-F886 HydrophobicContact CD1-CZ 4.39Å; V878-F886 HydrophobicContact CG1-CB 4.15Å; V878-F886 HydrophobicContact CG1-CG 4.33Å; V878-F886 HydrophobicContact CG2-CB 3.97Å; V878-F886 HydrophobicContact CG2-CD1 4.26Å; V878-F886 HydrophobicContact CG2-CD2 3.56Å; V878-F886 HydrophobicContact CG2-CE2 4.09Å; V878-F886 HydrophobicContact CG2-CG 3.66Å; N882-F886 PolarHBondContact O-N 2.83Å; R883-F886 PolarHBondContact O-N 3.44Å; Q884-F886 VanDerWaalsContact C-N 3.32Å; Q884-F886 PolarHBondContact O-N 2.85Å; F886-D888 PolarHBondContact O-N 3.08Å; F886-A889 PolarHBondContact O-N 3.18Å; F886-Y890 HydrophobicContact CZ-CD2 4.3Å; F886-Y890 WeakPolarHBondContact O-CB 3.29Å; F886-Y890 PolarHBondContact O-N 2.76Å |
| 887 | V | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | L821 L835 L838 L839 R883 Q884 A889 Y890 V891 | L821-V887 HydrophobicContact CD1-CG1 4.02Å; L821-V887 HydrophobicContact CD2-CG1 4.17Å; L821-V887 HydrophobicContact CG-CG1 4.46Å; L835-V887 HydrophobicContact CB-CG1 4.47Å; L835-V887 HydrophobicContact CB-CG2 4.2Å; L835-V887 HydrophobicContact CD2-CG2 4.25Å; L838-V887 HydrophobicContact CD2-CG2 4.35Å; L839-V887 HydrophobicContact CD1-CG1 4.27Å; L839-V887 HydrophobicContact CD1-CG2 4.27Å; L839-V887 HydrophobicContact CD2-CB 4.46Å; L839-V887 HydrophobicContact CD2-CG2 3.88Å; L839-V887 HydrophobicContact CG-CG2 3.98Å; R883-V887 WeakPolarHBondContact O-CG2 3.04Å; R883-V887 PolarHBondContact O-N 2.98Å; R883-V887 VanDerWaalsContact O-N 3.09Å; Q884-V887 PolarHBondContact O-N 2.86Å; V887-A889 VanDerWaalsContact C-N 3.31Å; V887-A889 PolarHBondContact O-N 3.26Å; V887-Y890 WeakPolarHBondContact O-CB 3.43Å; V887-Y890 PolarHBondContact O-N 2.91Å; V887-V891 HydrophobicContact CG1-CG2 4.43Å; V887-V891 WeakPolarHBondContact O-CG2 3.42Å; V887-V891 PolarHBondContact O-N 2.87Å |
| 888 | D | 93.8 | Very high | 92.5 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.6 | -39 | 178 | -70.6 | -9.7 | 0 | 0 | 0 | 111.6 | Q884 F886 N892 | Q884-D888 PolarHBondContact NE2-OD1 2.82Å; Q884-D888 WeakPolarHBondContact O-CB 3.26Å; Q884-D888 PolarHBondContact O-N 3.13Å; F886-D888 PolarHBondContact O-N 3.08Å; D888-N892 WeakPolarHBondContact O-CB 3.41Å; D888-N892 PolarHBondContact O-N 3.29Å |
| 889 | A | 93.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | F854 L869 V870 E885 F886 V887 N892 Y893 | F854-A889 HydrophobicContact CD1-CB 4.49Å; F854-A889 HydrophobicContact CE1-CB 4.49Å; L869-A889 HydrophobicContact CB-CB 4.12Å; L869-A889 HydrophobicContact CD1-CB 4.45Å; V870-A889 HydrophobicContact CG1-CB 4.14Å; E885-A889 WeakPolarHBondContact O-CB 3.34Å; E885-A889 PolarHBondContact O-N 3.16Å; F886-A889 PolarHBondContact O-N 3.18Å; V887-A889 VanDerWaalsContact C-N 3.31Å; V887-A889 PolarHBondContact O-N 3.26Å; A889-N892 PolarHBondContact O-N 2.86Å; A889-Y893 WeakPolarHBondContact O-CB 3.44Å; A889-Y893 PolarHBondContact O-N 3.14Å |
| 890 | Y | 94.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -52.7 | 175.8 | -162 | -64.6 | 0 | 0 | 0 | 111 | L824 V831 L835 I856 L869 F886 V887 N892 Y893 V894 | L824-Y890 HydrophobicContact CD2-CD1 3.93Å; L824-Y890 HydrophobicContact CD2-CE1 4.2Å; V831-Y890 HydrophobicContact CG1-CE1 3.85Å; V831-Y890 HydrophobicContact CG1-CE2 4.5Å; L835-Y890 HydrophobicContact CD1-CD1 3.98Å; L835-Y890 HydrophobicContact CD1-CD2 4.28Å; L835-Y890 HydrophobicContact CD1-CE1 4.45Å; L835-Y890 HydrophobicContact CD1-CG 3.91Å; I856-Y890 HydrophobicContact CB-CE2 4.4Å; I856-Y890 HydrophobicContact CG2-CD2 3.63Å; I856-Y890 HydrophobicContact CG2-CE2 3.37Å; L869-Y890 HydrophobicContact CD1-CD2 4.23Å; F886-Y890 HydrophobicContact CZ-CD2 4.3Å; F886-Y890 WeakPolarHBondContact O-CB 3.29Å; F886-Y890 PolarHBondContact O-N 2.76Å; V887-Y890 WeakPolarHBondContact O-CB 3.43Å; V887-Y890 PolarHBondContact O-N 2.91Å; Y890-N892 VanDerWaalsContact C-N 3.29Å; Y890-N892 PolarHBondContact O-N 2.99Å; Y890-Y893 WeakPolarHBondContact O-CB 3.38Å; Y890-Y893 PolarHBondContact O-N 3.25Å; Y890-Y893 VanDerWaalsContact O-N 3.09Å; Y890-V894 HydrophobicContact CD1-CG2 3.85Å; Y890-V894 HydrophobicContact CE1-CG2 3.66Å; Y890-V894 PolarHBondContact O-N 3.35Å |
| 891 | V | 94.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | P819 L821 L824 V887 Y893 F895 | P819-V891 HydrophobicContact CB-CG1 4.44Å; L821-V891 HydrophobicContact CD1-CG2 4.46Å; L824-V891 HydrophobicContact CB-CG2 4.39Å; L824-V891 HydrophobicContact CD2-CG2 4.04Å; V887-V891 HydrophobicContact CG1-CG2 4.43Å; V887-V891 WeakPolarHBondContact O-CG2 3.42Å; V887-V891 PolarHBondContact O-N 2.87Å; V891-Y893 VanDerWaalsContact C-N 3.33Å; V891-Y893 PolarHBondContact O-N 3.1Å; V891-F895 HydrophobicContact CG1-CD2 3.88Å; V891-F895 HydrophobicContact CG1-CE2 4.28Å; V891-F895 WeakPolarHBondContact O-CD2 3.38Å; V891-F895 PolarHBondContact O-N 3.06Å; V891-F895 VanDerWaalsContact O-N 3.14Å |
| 892 | N | 94.2 | Very high | 92.5 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 34% | 0.342 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.3 | -34.6 | 177.6 | -176.5 | 50.1 | 0 | 0 | 0 | 112.6 | D888 A889 Y890 N896 K897 | D888-N892 WeakPolarHBondContact O-CB 3.41Å; D888-N892 PolarHBondContact O-N 3.29Å; A889-N892 PolarHBondContact O-N 2.86Å; Y890-N892 VanDerWaalsContact C-N 3.29Å; Y890-N892 PolarHBondContact O-N 2.99Å; N892-N896 WeakPolarHBondContact O-CA 3.42Å; N892-N896 WeakPolarHBondContact O-CB 3.41Å; N892-N896 PolarHBondContact O-N 2.68Å; N892-N896 WeakPolarHBondContact OD1-CB 3.47Å; N892-N896 PolarHBondContact OD1-ND2 2.93Å; N892-K897 PolarHBondContact O-N 2.67Å |
| 893 | Y | 92.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -64.3 | -55.7 | 176.3 | 174.8 | -90.2 | 0 | 0 | 0 | 111.1 | I856 L867 L869 A889 Y890 V891 F895 K897 A898 | I856-Y893 HydrophobicContact CD1-CD1 3.45Å; I856-Y893 VanDerWaalsContact CD1-CD1 3.45Å; I856-Y893 HydrophobicContact CD1-CE1 3.35Å; I856-Y893 HydrophobicContact CD1-CG 4.23Å; L867-Y893 WeakPolarHBondContact CD1-OH 3.39Å; L869-Y893 HydrophobicContact CD2-CD1 4.29Å; L869-Y893 HydrophobicContact CD2-CD2 4.22Å; L869-Y893 HydrophobicContact CD2-CG 3.75Å; A889-Y893 WeakPolarHBondContact O-CB 3.44Å; A889-Y893 PolarHBondContact O-N 3.14Å; Y890-Y893 WeakPolarHBondContact O-CB 3.38Å; Y890-Y893 PolarHBondContact O-N 3.25Å; Y890-Y893 VanDerWaalsContact O-N 3.09Å; V891-Y893 VanDerWaalsContact C-N 3.33Å; V891-Y893 PolarHBondContact O-N 3.1Å; Y893-F895 PolarHBondContact O-N 3.35Å; Y893-K897 HydrophobicContact CD2-CB 4.02Å; Y893-K897 HydrophobicContact CD2-CD 4.37Å; Y893-K897 PolarHBondContact O-N 2.88Å; Y893-K897 VanDerWaalsContact O-N 3.15Å; Y893-A898 HydrophobicContact CD1-CB 4.33Å; Y893-A898 HydrophobicContact CE1-CB 3.81Å; Y893-A898 HydrophobicContact CE2-CB 4.3Å; Y893-A898 WeakPolarHBondContact O-CB 3.49Å; Y893-A898 PolarHBondContact O-N 3.41Å |
| 894 | V | 92.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -59.3 | -48.7 | -176.3 | 174 | 0 | 0 | 0 | 0 | 111.9 | W773 L824 L827 Y890 | W773-V894 PolarHBondContact NE1-O 2.88Å; L824-V894 HydrophobicContact CD1-CB 4.38Å; L824-V894 HydrophobicContact CD1-CG1 4.08Å; L824-V894 HydrophobicContact CD1-CG2 4.33Å; L827-V894 HydrophobicContact CD2-CG1 4.28Å; Y890-V894 HydrophobicContact CD1-CG2 3.85Å; Y890-V894 HydrophobicContact CE1-CG2 3.66Å; Y890-V894 PolarHBondContact O-N 3.35Å |
| 895 | F | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -89.6 | -21.2 | -173.7 | -67 | -61.5 | 0 | 0 | 0 | 114.2 | W773 P807 A809 K813 P819 D823 L824 L827 V891 Y893 V899 | W773-F895 HydrophobicContact CD2-CD1 4.48Å; W773-F895 AromaticContact CE2-CD1 3.83Å; W773-F895 AromaticContact CH2-CD1 3.87Å; W773-F895 HydrophobicContact CH2-CD1 3.87Å; W773-F895 HydrophobicContact CH2-CE1 4.45Å; W773-F895 HydrophobicContact CZ2-CB 4.41Å; W773-F895 AromaticContact CZ2-CD1 3.53Å; W773-F895 HydrophobicContact CZ2-CD1 3.53Å; W773-F895 HydrophobicContact CZ2-CE1 4.33Å; W773-F895 HydrophobicContact CZ2-CG 4.46Å; W773-F895 HydrophobicContact CZ3-CD1 4.46Å; P807-F895 HydrophobicContact CG-CE1 4.49Å; A809-F895 HydrophobicContact CB-CD1 3.55Å; A809-F895 HydrophobicContact CB-CE1 3.36Å; A809-F895 HydrophobicContact CB-CE2 4.45Å; A809-F895 HydrophobicContact CB-CG 4.21Å; A809-F895 HydrophobicContact CB-CZ 3.86Å; K813-F895 VanDerWaalsContact CE-O 3.23Å; K813-F895 WeakPolarHBondContact CE-O 3.23Å; K813-F895 PolarHBondContact NZ-O 3.2Å; P819-F895 HydrophobicContact CB-CB 4.03Å; P819-F895 HydrophobicContact CB-CD2 3.56Å; P819-F895 HydrophobicContact CB-CE2 4.17Å; P819-F895 HydrophobicContact CB-CG 3.87Å; P819-F895 HydrophobicContact CG-CB 3.79Å; P819-F895 HydrophobicContact CG-CD2 4.27Å; P819-F895 HydrophobicContact CG-CG 4.08Å; D823-F895 HydrophobicContact CB-CE2 4.1Å; D823-F895 HydrophobicContact CB-CZ 4.09Å; D823-F895 WeakPolarHBondContact O-CZ 3.3Å; L824-F895 HydrophobicContact CB-CE2 3.98Å; L824-F895 HydrophobicContact CB-CZ 4.42Å; L824-F895 HydrophobicContact CD1-CE2 4.13Å; L824-F895 HydrophobicContact CD1-CZ 4.28Å; L827-F895 HydrophobicContact CB-CZ 4.34Å; L827-F895 HydrophobicContact CD2-CE1 3.78Å; L827-F895 HydrophobicContact CD2-CZ 4.19Å; V891-F895 HydrophobicContact CG1-CD2 3.88Å; V891-F895 HydrophobicContact CG1-CE2 4.28Å; V891-F895 WeakPolarHBondContact O-CD2 3.38Å; V891-F895 PolarHBondContact O-N 3.06Å; V891-F895 VanDerWaalsContact O-N 3.14Å; Y893-F895 PolarHBondContact O-N 3.35Å; F895-V899 WeakPolarHBondContact O-CG2 3.06Å |
| 896 | N | 92.1 | Very high | 92.3 | Very high | 46 Ų | 46 | 33.7 Ų | 33.7 | 25% | 0.246 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -121.7 | -63.8 | -176.6 | -53.6 | -51.5 | 0 | 0 | 0 | 113.2 | K813 N892 V899 A900 | K813-N896 PolarHBondContact NZ-OD1 3.14Å; N892-N896 WeakPolarHBondContact O-CA 3.42Å; N892-N896 WeakPolarHBondContact O-CB 3.41Å; N892-N896 PolarHBondContact O-N 2.68Å; N892-N896 WeakPolarHBondContact OD1-CB 3.47Å; N892-N896 PolarHBondContact OD1-ND2 2.93Å; N896-V899 PolarHBondContact O-N 3.5Å; N896-A900 WeakPolarHBondContact O-CA 3.16Å; N896-A900 VanDerWaalsContact O-CB 3.3Å; N896-A900 WeakPolarHBondContact O-CB 3.31Å; N896-A900 PolarHBondContact O-N 3.17Å |
| 897 | K | 90.6 | Very high | 92.2 | Very high | 104 Ų | 104 | 35 Ų | 35 | 45% | 0.452 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -63.9 | -47.2 | -170.3 | -64.8 | -175.5 | 174.2 | -178.6 | 0 | 112.9 | L869 N892 Y893 V899 | L869-K897 PolarHBondContact O-NZ 3.3Å; N892-K897 PolarHBondContact O-N 2.67Å; Y893-K897 HydrophobicContact CD2-CB 4.02Å; Y893-K897 HydrophobicContact CD2-CD 4.37Å; Y893-K897 PolarHBondContact O-N 2.88Å; Y893-K897 VanDerWaalsContact O-N 3.15Å; K897-V899 PolarHBondContact O-N 2.98Å |
| 898 | A | 89.6 | Confident | 92 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 19% | 0.19 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -31.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H776 Y893 | H776-A898 HydrophobicContact CB-CB 4.29Å; H776-A898 WeakPolarHBondContact CB-O 3.43Å; Y893-A898 HydrophobicContact CD1-CB 4.33Å; Y893-A898 HydrophobicContact CE1-CB 3.81Å; Y893-A898 HydrophobicContact CE2-CB 4.3Å; Y893-A898 WeakPolarHBondContact O-CB 3.49Å; Y893-A898 PolarHBondContact O-N 3.41Å |
| 899 | V | 90.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 9 | -169.2 | -58 | 0 | 0 | 0 | 0 | 113.1 | W773 F774 F895 N896 K897 L902 F903 | W773-V899 HydrophobicContact CZ2-CG2 4.16Å; F774-V899 HydrophobicContact CB-CB 3.86Å; F774-V899 HydrophobicContact CB-CG1 3.64Å; F774-V899 HydrophobicContact CG-CB 4.41Å; F895-V899 WeakPolarHBondContact O-CG2 3.06Å; N896-V899 PolarHBondContact O-N 3.5Å; K897-V899 PolarHBondContact O-N 2.98Å; V899-L902 PolarHBondContact O-N 2.97Å; V899-F903 WeakPolarHBondContact O-CB 3.47Å; V899-F903 PolarHBondContact O-N 2.97Å |
| 900 | A | 89.3 | Confident | 91.7 | Very high | 49 Ų | 49 | 32.7 Ų | 32.7 | 41% | 0.405 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -49.9 | -55.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N896 L902 E904 | N896-A900 WeakPolarHBondContact O-CA 3.16Å; N896-A900 VanDerWaalsContact O-CB 3.3Å; N896-A900 WeakPolarHBondContact O-CB 3.31Å; N896-A900 PolarHBondContact O-N 3.17Å; A900-L902 VanDerWaalsContact C-N 3.33Å; A900-L902 PolarHBondContact O-N 2.85Å; A900-E904 WeakPolarHBondContact O-CB 3.33Å; A900-E904 PolarHBondContact O-N 3Å |
| 901 | P | 87.8 | Confident | 91.4 | Very high | 75 Ų | 75 | 33.4 Ų | 33.4 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70.3 | -31.2 | -176 | 29.8 | -36.1 | 0 | 0 | 0 | 112.6 | F782 G905 | F782-P901 HydrophobicContact CD1-CB 4.44Å; F782-P901 HydrophobicContact CE1-CB 3.7Å; F782-P901 HydrophobicContact CE1-CG 4.1Å; F782-P901 HydrophobicContact CZ-CB 4.35Å; P901-G905 PolarHBondContact O-N 2.94Å |
| 902 | L | 90.9 | Very high | 91.1 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.6 | -47.7 | 178.7 | -51.1 | 174.7 | 0 | 0 | 0 | 110.8 | F774 S775 T778 F782 F785 V899 A900 E904 G905 F906 | F774-L902 HydrophobicContact CB-CD1 4.4Å; F774-L902 HydrophobicContact CD1-CB 4.01Å; S775-L902 WeakPolarHBondContact O-CD1 3.05Å; T778-L902 HydrophobicContact CG2-CD1 4.44Å; T778-L902 HydrophobicContact CG2-CD2 3.82Å; F782-L902 HydrophobicContact CD1-CD2 4.07Å; F782-L902 HydrophobicContact CE1-CD2 3.75Å; F785-L902 HydrophobicContact CD1-CB 4.31Å; F785-L902 HydrophobicContact CD2-CD2 4.09Å; F785-L902 HydrophobicContact CE1-CB 4.25Å; F785-L902 HydrophobicContact CE2-CD2 3.65Å; F785-L902 HydrophobicContact CG-CB 4.49Å; F785-L902 HydrophobicContact CZ-CB 4.39Å; F785-L902 HydrophobicContact CZ-CD1 4.43Å; F785-L902 HydrophobicContact CZ-CD2 3.94Å; F785-L902 HydrophobicContact CZ-CG 4.48Å; V899-L902 PolarHBondContact O-N 2.97Å; A900-L902 VanDerWaalsContact C-N 3.33Å; A900-L902 PolarHBondContact O-N 2.85Å; L902-E904 VanDerWaalsContact C-N 3.32Å; L902-E904 PolarHBondContact O-N 2.93Å; L902-G905 PolarHBondContact O-N 3.43Å; L902-F906 PolarHBondContact O-N 2.81Å; L902-F906 VanDerWaalsContact O-N 3.13Å |
| 903 | F | 92.3 | Very high | 90.6 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 6% | 0.057 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 176.1 | 178.2 | -97 | 0 | 0 | 0 | 111.4 | F774 L810 K813 V899 G905 F906 Y907 | F774-F903 AromaticContact CE2-CD2 3.94Å; F774-F903 HydrophobicContact CE2-CD2 3.94Å; F774-F903 AromaticContact CZ-CD2 3.99Å; F774-F903 HydrophobicContact CZ-CD2 3.99Å; L810-F903 HydrophobicContact CD1-CD2 4.33Å; L810-F903 HydrophobicContact CD1-CE2 3.96Å; K813-F903 HydrophobicContact CB-CE1 3.9Å; K813-F903 HydrophobicContact CB-CE2 3.7Å; K813-F903 HydrophobicContact CB-CZ 3.28Å; K813-F903 HydrophobicContact CD-CD2 4.38Å; K813-F903 HydrophobicContact CD-CE2 4.19Å; K813-F903 HydrophobicContact CD-CZ 4.37Å; K813-F903 VanDerWaalsContact CE-CD1 3.5Å; K813-F903 VanDerWaalsContact CE-CE2 3.47Å; K813-F903 HydrophobicContact CG-CZ 4.38Å; V899-F903 WeakPolarHBondContact O-CB 3.47Å; V899-F903 PolarHBondContact O-N 2.97Å; F903-G905 VanDerWaalsContact C-N 3.31Å; F903-G905 PolarHBondContact O-N 2.73Å; F903-F906 PolarHBondContact O-N 3.45Å; F903-Y907 AromaticContact CE1-CD2 3.96Å; F903-Y907 HydrophobicContact CE1-CD2 3.96Å; F903-Y907 HydrophobicContact CE1-CG 4.18Å; F903-Y907 AromaticContact CZ-CD2 3.96Å; F903-Y907 HydrophobicContact CZ-CD2 3.96Å; F903-Y907 HydrophobicContact CZ-CG 4.43Å; F903-Y907 WeakPolarHBondContact O-CB 3.14Å; F903-Y907 PolarHBondContact O-N 2.87Å |
| 904 | E | 91.5 | Very high | 89.9 | Confident | 111 Ų | 111 | 31.7 Ų | 31.7 | 52% | 0.519 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66 | -36.5 | 179 | -160.3 | 64.3 | -173.4 | 0 | 0 | 111.9 | A900 L902 S908 | A900-E904 WeakPolarHBondContact O-CB 3.33Å; A900-E904 PolarHBondContact O-N 3Å; L902-E904 VanDerWaalsContact C-N 3.32Å; L902-E904 PolarHBondContact O-N 2.93Å; E904-S908 WeakPolarHBondContact O-CB 3.15Å; E904-S908 PolarHBondContact O-N 3.35Å |
| 905 | G | 90.7 | Very high | 88.9 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57 | -52.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N786 P901 L902 F903 G909 | N786-G905 VanDerWaalsContact CA-O 3.27Å; N786-G905 WeakPolarHBondContact CA-O 3.01Å; N786-G905 PolarHBondContact ND2-O 2.89Å; P901-G905 PolarHBondContact O-N 2.94Å; L902-G905 PolarHBondContact O-N 3.43Å; F903-G905 VanDerWaalsContact C-N 3.31Å; F903-G905 PolarHBondContact O-N 2.73Å; G905-G909 PolarHBondContact O-N 3.47Å |
| 906 | F | 92.3 | Very high | 88 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 176.6 | -179.8 | -86.4 | 0 | 0 | 0 | 112.9 | F774 F785 I788 G789 L810 L814 L902 F903 S908 G909 F910 | F774-F906 HydrophobicContact CE1-CB 4Å; F774-F906 HydrophobicContact CE1-CD2 4.5Å; F774-F906 HydrophobicContact CE1-CG 4.3Å; F774-F906 HydrophobicContact CZ-CB 4.06Å; F774-F906 HydrophobicContact CZ-CD1 4.33Å; F774-F906 HydrophobicContact CZ-CD2 4.34Å; F774-F906 HydrophobicContact CZ-CG 4.01Å; F785-F906 VanDerWaalsContact O-CA 3.27Å; F785-F906 WeakPolarHBondContact O-CA 3.49Å; I788-F906 HydrophobicContact CB-CD2 4.22Å; I788-F906 HydrophobicContact CB-CE2 4.33Å; I788-F906 HydrophobicContact CG2-CD2 4.05Å; I788-F906 HydrophobicContact CG2-CE2 3.69Å; G789-F906 WeakPolarHBondContact CA-O 3.43Å; L810-F906 HydrophobicContact CD1-CD1 4.34Å; L810-F906 HydrophobicContact CD1-CE1 3.92Å; L810-F906 HydrophobicContact CD1-CZ 4.42Å; L810-F906 HydrophobicContact CD2-CE1 4.36Å; L810-F906 HydrophobicContact CD2-CZ 4.23Å; L810-F906 HydrophobicContact CG-CE1 4.46Å; L814-F906 HydrophobicContact CD1-CE1 4.24Å; L814-F906 HydrophobicContact CD2-CD1 4.25Å; L814-F906 HydrophobicContact CD2-CE1 3.96Å; L814-F906 HydrophobicContact CG-CE1 4.42Å; L902-F906 PolarHBondContact O-N 2.81Å; L902-F906 VanDerWaalsContact O-N 3.13Å; F903-F906 PolarHBondContact O-N 3.45Å; F906-S908 PolarHBondContact O-N 2.79Å; F906-G909 PolarHBondContact O-N 2.83Å; F906-F910 WeakPolarHBondContact O-CB 3.38Å; F906-F910 PolarHBondContact O-N 3Å |
| 907 | Y | 92.3 | Very high | 87.4 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 14% | 0.141 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 179.7 | 175.5 | -86.6 | 0 | 0 | 0 | 111.3 | L814 K816 F903 G909 F910 H911 | L814-Y907 HydrophobicContact CD2-CD2 4.14Å; K816-Y907 WeakPolarHBondContact CE-OH 3.32Å; F903-Y907 AromaticContact CE1-CD2 3.96Å; F903-Y907 HydrophobicContact CE1-CD2 3.96Å; F903-Y907 HydrophobicContact CE1-CG 4.18Å; F903-Y907 AromaticContact CZ-CD2 3.96Å; F903-Y907 HydrophobicContact CZ-CD2 3.96Å; F903-Y907 HydrophobicContact CZ-CG 4.43Å; F903-Y907 WeakPolarHBondContact O-CB 3.14Å; F903-Y907 PolarHBondContact O-N 2.87Å; Y907-G909 VanDerWaalsContact C-N 3.34Å; Y907-G909 PolarHBondContact O-N 3.04Å; Y907-F910 PolarHBondContact O-N 2.67Å; Y907-H911 AromaticContact CD2-CD2 3.63Å; Y907-H911 AromaticContact CD2-NE2 3.82Å; Y907-H911 AromaticContact CE1-CD2 3.78Å; Y907-H911 AromaticContact CE2-CD2 3.33Å; Y907-H911 WeakPolarHBondContact CE2-CD2 3.5Å; Y907-H911 AromaticContact CE2-NE2 3.19Å; Y907-H911 WeakPolarHBondContact CE2-NE2 3.21Å; Y907-H911 AromaticContact CG-CD2 3.99Å; Y907-H911 AromaticContact CZ-CD2 3.37Å; Y907-H911 AromaticContact CZ-NE2 3.46Å; Y907-H911 WeakPolarHBondContact O-CB 3.3Å; Y907-H911 PolarHBondContact O-CD2 2.84Å; Y907-H911 PolarHBondContact O-N 2.9Å |
| 908 | S | 90.8 | Very high | 87.1 | Confident | 52 Ų | 52 | 34.1 Ų | 34.1 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | E904 F906 K912 | E904-S908 WeakPolarHBondContact O-CB 3.15Å; E904-S908 PolarHBondContact O-N 3.35Å; F906-S908 PolarHBondContact O-N 2.79Å; S908-K912 VanDerWaalsContact O-CG 3.28Å; S908-K912 WeakPolarHBondContact O-CG 3.43Å; S908-K912 PolarHBondContact O-N 2.91Å |
| 909 | G | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N786 G789 V790 G905 F906 Y907 K912 | N786-G909 PolarHBondContact ND2-N 3.29Å; N786-G909 VanDerWaalsContact ND2-N 3.17Å; N786-G909 WeakPolarHBondContact O-CA 3.43Å; G789-G909 VanDerWaalsContact C-C 3.43Å; V790-G909 WeakPolarHBondContact CG2-O 3.46Å; G905-G909 PolarHBondContact O-N 3.47Å; F906-G909 PolarHBondContact O-N 2.83Å; Y907-G909 VanDerWaalsContact C-N 3.34Å; Y907-G909 PolarHBondContact O-N 3.04Å; G909-K912 WeakPolarHBondContact O-CB 3.41Å; G909-K912 PolarHBondContact O-N 2.96Å |
| 910 | F | 90.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.6 | -49.9 | 179.7 | -175.5 | -89.7 | 0 | 0 | 0 | 112.4 | G789 C792 I796 L814 F906 Y907 K912 V913 C914 L919 I931 | G789-F910 VanDerWaalsContact C-N 3.32Å; G789-F910 WeakPolarHBondContact O-CA 3.37Å; G789-F910 PolarHBondContact O-N 3.23Å; C792-F910 HydrophobicContact CB-CD2 3.94Å; C792-F910 HydrophobicContact CB-CE2 4.24Å; I796-F910 HydrophobicContact CD1-CE2 3.47Å; I796-F910 VanDerWaalsContact CD1-CE2 3.47Å; I796-F910 HydrophobicContact CD1-CZ 3.5Å; L814-F910 HydrophobicContact CD1-CD1 4.36Å; L814-F910 HydrophobicContact CD1-CD2 4.26Å; L814-F910 HydrophobicContact CD1-CE1 4.17Å; L814-F910 HydrophobicContact CD1-CE2 4.07Å; L814-F910 HydrophobicContact CD1-CG 4.39Å; L814-F910 HydrophobicContact CD1-CZ 4.03Å; L814-F910 HydrophobicContact CD2-CB 4.11Å; L814-F910 HydrophobicContact CD2-CD1 3.77Å; L814-F910 HydrophobicContact CD2-CD2 4.47Å; L814-F910 HydrophobicContact CD2-CE1 4.3Å; L814-F910 HydrophobicContact CD2-CG 3.86Å; F906-F910 WeakPolarHBondContact O-CB 3.38Å; F906-F910 PolarHBondContact O-N 3Å; Y907-F910 PolarHBondContact O-N 2.67Å; F910-K912 VanDerWaalsContact C-N 3.27Å; F910-K912 PolarHBondContact O-N 2.82Å; F910-V913 PolarHBondContact O-N 3.16Å; F910-C914 HydrophobicContact CD1-CB 4.32Å; F910-C914 HydrophobicContact CE1-CB 3.85Å; F910-C914 HydrophobicContact CZ-CB 3.97Å; F910-C914 PolarHBondContact O-N 3.36Å; F910-L919 HydrophobicContact CE1-CD1 3.78Å; F910-I931 HydrophobicContact CE2-CD1 4.33Å |
| 911 | H | 89.3 | Confident | 86.6 | Confident | 51 Ų | 51 | 36.2 Ų | 36.2 | 24% | 0.236 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.9 | -12.2 | -177.7 | -82.2 | -86.4 | 0 | 0 | 0 | 114 | L814 Y907 V913 G915 | L814-H911 PolarHBondContact O-NE2 3.34Å; L814-H911 VanDerWaalsContact O-NE2 3.09Å; Y907-H911 AromaticContact CD2-CD2 3.63Å; Y907-H911 AromaticContact CD2-NE2 3.82Å; Y907-H911 AromaticContact CE1-CD2 3.78Å; Y907-H911 AromaticContact CE2-CD2 3.33Å; Y907-H911 WeakPolarHBondContact CE2-CD2 3.5Å; Y907-H911 AromaticContact CE2-NE2 3.19Å; Y907-H911 WeakPolarHBondContact CE2-NE2 3.21Å; Y907-H911 AromaticContact CG-CD2 3.99Å; Y907-H911 AromaticContact CZ-CD2 3.37Å; Y907-H911 AromaticContact CZ-NE2 3.46Å; Y907-H911 WeakPolarHBondContact O-CB 3.3Å; Y907-H911 PolarHBondContact O-CD2 2.84Å; Y907-H911 PolarHBondContact O-N 2.9Å; H911-V913 VanDerWaalsContact C-N 3.27Å; H911-G915 VanDerWaalsContact O-CA 3.26Å; H911-G915 WeakPolarHBondContact O-CA 3.37Å; H911-G915 PolarHBondContact O-N 3.22Å |
| 912 | K | 87.8 | Confident | 86.6 | Confident | 58 Ų | 58 | 32.8 Ų | 32.8 | 25% | 0.252 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.5 | -33.1 | 168.4 | -79.4 | 168.3 | -174.5 | 177.5 | 0 | 111.9 | Y724 N786 V790 S908 G909 F910 | Y724-K912 HydrophobicContact CD2-CB 4.04Å; Y724-K912 HydrophobicContact CE2-CB 4.33Å; Y724-K912 HydrophobicContact CE2-CD 4.06Å; N786-K912 PolarHBondContact OD1-NZ 3.04Å; V790-K912 HydrophobicContact CG2-CD 4.41Å; S908-K912 VanDerWaalsContact O-CG 3.28Å; S908-K912 WeakPolarHBondContact O-CG 3.43Å; S908-K912 PolarHBondContact O-N 2.91Å; G909-K912 WeakPolarHBondContact O-CB 3.41Å; G909-K912 PolarHBondContact O-N 2.96Å; F910-K912 VanDerWaalsContact C-N 3.27Å; F910-K912 PolarHBondContact O-N 2.82Å |
| 913 | V | 84.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -101.8 | -65.2 | -177.1 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | Y724 V790 L794 Y797 F910 H911 G915 | Y724-V913 HydrophobicContact CG-CG2 4.31Å; V790-V913 HydrophobicContact CB-CG2 4.29Å; V790-V913 HydrophobicContact CG1-CG2 3.83Å; V790-V913 HydrophobicContact CG2-CG2 4.48Å; L794-V913 HydrophobicContact CD2-CG1 3.76Å; L794-V913 HydrophobicContact CD2-CG2 4.48Å; L794-V913 HydrophobicContact CG-CG1 4Å; L794-V913 HydrophobicContact CG-CG2 4.15Å; Y797-V913 HydrophobicContact CG-CG1 4.41Å; F910-V913 PolarHBondContact O-N 3.16Å; H911-V913 VanDerWaalsContact C-N 3.27Å; V913-G915 PolarHBondContact O-N 2.82Å; V913-G915 VanDerWaalsContact O-N 3.13Å |
| 914 | C | 78.1 | Confident | 86.3 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.034 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -89.3 | 63 | 176.2 | -80.7 | 0 | 0 | 0 | 0 | 109.1 | G793 F910 L919 | G793-C914 PolarHBondContact O-SG 3.03Å; F910-C914 HydrophobicContact CD1-CB 4.32Å; F910-C914 HydrophobicContact CE1-CB 3.85Å; F910-C914 HydrophobicContact CZ-CB 3.97Å; F910-C914 PolarHBondContact O-N 3.36Å; C914-L919 HydrophobicContact CB-CD1 4.24Å; C914-L919 WeakPolarHBondContact O-CD1 3.49Å |
| 915 | G | 70.8 | Confident | 86.1 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | trans | -110.3 | 151.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H911 V913 | H911-G915 VanDerWaalsContact O-CA 3.26Å; H911-G915 WeakPolarHBondContact O-CA 3.37Å; H911-G915 PolarHBondContact O-N 3.22Å; V913-G915 PolarHBondContact O-N 2.82Å; V913-G915 VanDerWaalsContact O-N 3.13Å | ||
| 916 | G | 76.6 | Confident | 86 | Confident | 45 Ų | 45 | 30.6 Ų | 30.6 | 46% | 0.464 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 126.1 | -179.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V918 | G916-V918 VanDerWaalsContact C-N 3.25Å; G916-V918 PolarHBondContact O-N 3.25Å |
| 917 | R | 78 | Confident | 85.7 | Confident | 149 Ų | 149 | 30.5 Ų | 30.5 | 56% | 0.562 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -12.5 | -171.6 | -58 | -171.2 | -175.9 | -149.7 | -2.6 | 113.9 | W632 Q636 L919 D920 | W632-R917 HydrophobicContact CH2-CB 3.76Å; W632-R917 HydrophobicContact CZ3-CB 4.16Å; Q636-R917 VanDerWaalsContact CD-NH1 3.3Å; Q636-R917 VanDerWaalsContact OE1-CZ 3.3Å; R917-L919 VanDerWaalsContact C-N 3.31Å; R917-L919 PolarHBondContact O-N 2.91Å; R917-D920 WeakPolarHBondContact O-CB 3.18Å; R917-D920 PolarHBondContact O-N 3.35Å |
| 918 | V | 85.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -35.5 | 178.7 | 71.6 | 0 | 0 | 0 | 0 | 112 | Y629 L664 D667 G916 D920 L921 F922 | Y629-V918 HydrophobicContact CE2-CB 4.45Å; Y629-V918 HydrophobicContact CE2-CG2 4.09Å; Y629-V918 VanDerWaalsContact OH-CB 3.31Å; Y629-V918 WeakPolarHBondContact OH-CB 3.48Å; L664-V918 HydrophobicContact CB-CG2 4.36Å; L664-V918 HydrophobicContact CD1-CB 4.41Å; L664-V918 HydrophobicContact CD1-CG1 3.49Å; L664-V918 VanDerWaalsContact CD1-CG1 3.49Å; L664-V918 HydrophobicContact CD1-CG2 4.05Å; D667-V918 HydrophobicContact CB-CB 4.27Å; D667-V918 HydrophobicContact CB-CG1 4.35Å; D667-V918 HydrophobicContact CB-CG2 4.11Å; G916-V918 VanDerWaalsContact C-N 3.25Å; G916-V918 PolarHBondContact O-N 3.25Å; V918-D920 VanDerWaalsContact C-N 3.29Å; V918-D920 PolarHBondContact O-N 3.46Å; V918-L921 HydrophobicContact CG2-CD1 4.4Å; V918-L921 VanDerWaalsContact O-CB 3.26Å; V918-L921 WeakPolarHBondContact O-CB 3.33Å; V918-L921 WeakPolarHBondContact O-CG 3.47Å; V918-L921 PolarHBondContact O-N 2.68Å; V918-F922 VanDerWaalsContact O-CD2 3.3Å; V918-F922 WeakPolarHBondContact O-CD2 3.37Å |
| 919 | L | 85.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -69.4 | -29.4 | 178.1 | -69.7 | -172.1 | 0 | 0 | 0 | 112.5 | L815 F910 C914 R917 L921 F922 L927 | L815-L919 HydrophobicContact CD2-CB 4.15Å; L815-L919 VanDerWaalsContact CD2-O 3.3Å; L815-L919 WeakPolarHBondContact CD2-O 3.48Å; F910-L919 HydrophobicContact CE1-CD1 3.78Å; C914-L919 HydrophobicContact CB-CD1 4.24Å; C914-L919 WeakPolarHBondContact O-CD1 3.49Å; R917-L919 VanDerWaalsContact C-N 3.31Å; R917-L919 PolarHBondContact O-N 2.91Å; L919-L921 PolarHBondContact O-N 2.88Å; L919-L921 VanDerWaalsContact O-N 3.07Å; L919-F922 PolarHBondContact O-N 2.95Å; L919-L927 HydrophobicContact CD2-CD1 4.39Å |
| 920 | D | 84.4 | Confident | 84.7 | Confident | 110 Ų | 110 | 30.2 Ų | 30.2 | 59% | 0.588 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -62.9 | -15.2 | 175.9 | -59.1 | -32.9 | 0 | 0 | 0 | 112 | R917 V918 | R917-D920 WeakPolarHBondContact O-CB 3.18Å; R917-D920 PolarHBondContact O-N 3.35Å; V918-D920 VanDerWaalsContact C-N 3.29Å; V918-D920 PolarHBondContact O-N 3.46Å |
| 921 | L | 88.4 | Confident | 84.3 | Confident | 7 Ų | 7 | 30.4 Ų | 30.4 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -80 | -15.4 | 176.8 | -50.9 | 179.4 | 0 | 0 | 0 | 113.3 | Y629 W632 C649 P652 K660 L663 V918 L919 | Y629-L921 HydrophobicContact CE2-CD1 4.19Å; W632-L921 HydrophobicContact CH2-CD2 4.18Å; C649-L921 WeakPolarHBondContact O-CD2 3.49Å; P652-L921 HydrophobicContact CB-CB 4Å; P652-L921 HydrophobicContact CB-CD2 4.04Å; P652-L921 WeakPolarHBondContact CB-O 3.47Å; P652-L921 HydrophobicContact CG-CB 4.39Å; P652-L921 HydrophobicContact CG-CD2 3.55Å; K660-L921 WeakPolarHBondContact CE-O 3.44Å; K660-L921 PolarHBondContact NZ-O 2.94Å; L663-L921 HydrophobicContact CD1-CD1 4.03Å; V918-L921 HydrophobicContact CG2-CD1 4.4Å; V918-L921 VanDerWaalsContact O-CB 3.26Å; V918-L921 WeakPolarHBondContact O-CB 3.33Å; V918-L921 WeakPolarHBondContact O-CG 3.47Å; V918-L921 PolarHBondContact O-N 2.68Å; L919-L921 PolarHBondContact O-N 2.88Å; L919-L921 VanDerWaalsContact O-N 3.07Å |
| 922 | F | 88.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -95.5 | 150.6 | -174.1 | -70.9 | -102.9 | 0 | 0 | 0 | 112.5 | K660 L664 L815 V918 L919 E926 M930 | K660-F922 HydrophobicContact CB-CD1 4.11Å; K660-F922 HydrophobicContact CB-CE1 3.55Å; K660-F922 HydrophobicContact CB-CE2 4.33Å; K660-F922 HydrophobicContact CB-CZ 3.69Å; K660-F922 HydrophobicContact CD-CD1 4.29Å; K660-F922 VanDerWaalsContact O-CZ 3.23Å; K660-F922 WeakPolarHBondContact O-CZ 3.24Å; L664-F922 HydrophobicContact CB-CE2 4.31Å; L664-F922 HydrophobicContact CB-CZ 3.99Å; L664-F922 HydrophobicContact CD2-CZ 4.41Å; L815-F922 WeakPolarHBondContact CD1-O 3.17Å; V918-F922 VanDerWaalsContact O-CD2 3.3Å; V918-F922 WeakPolarHBondContact O-CD2 3.37Å; L919-F922 PolarHBondContact O-N 2.95Å; F922-E926 WeakPolarHBondContact CA-OE2 3.41Å; F922-E926 HydrophobicContact CD1-CB 4.04Å; F922-M930 HydrophobicContact CE1-SD 4.16Å; F922-M930 HydrophobicContact CZ-SD 4.33Å |
| 923 | Q | 87.9 | Confident | 83.4 | Confident | 21 Ų | 21 | 25.8 Ų | 25.8 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | trans | -86.2 | 156.3 | 162.7 | -67.9 | -66.3 | -35.8 | 0 | 0 | 110.7 | Y611 R817 S925 E926 L927 | Y611-Q923 HydrophobicContact CD1-CG 3.9Å; Y611-Q923 HydrophobicContact CD2-CG 4.17Å; Y611-Q923 HydrophobicContact CE1-CG 3.33Å; Y611-Q923 VanDerWaalsContact CE2-CD 3.41Å; Y611-Q923 HydrophobicContact CE2-CG 3.66Å; Y611-Q923 HydrophobicContact CG-CG 4.29Å; Y611-Q923 VanDerWaalsContact CZ-CD 3.48Å; Y611-Q923 WeakPolarHBondContact OH-CG 3.5Å; Y611-Q923 PolarHBondContact OH-NE2 2.83Å; R817-Q923 VanDerWaalsContact CZ-OE1 3.28Å; R817-Q923 VanDerWaalsContact NH2-CD 3.33Å; Q923-S925 VanDerWaalsContact C-N 3.28Å; Q923-S925 PolarHBondContact O-N 2.76Å; Q923-E926 HydrophobicContact CB-CB 4.45Å; Q923-E926 HydrophobicContact CB-CG 4.05Å; Q923-E926 PolarHBondContact N-OE2 2.95Å; Q923-E926 PolarHBondContact O-N 3.45Å; Q923-E926 VanDerWaalsContact O-N 3.12Å; Q923-L927 PolarHBondContact O-N 2.94Å | ||
| 924 | P | 89.7 | Confident | 83.1 | Confident | 7 Ų | 7 | 27 Ų | 27 | 5% | 0.045 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54 | -41 | 177.6 | -27.1 | 34.6 | 0 | 0 | 0 | 114.1 | L808 Y811 K812 L815 L927 Q928 | L808-P924 HydrophobicContact CD1-CB 3.85Å; L808-P924 HydrophobicContact CG-CB 4.26Å; Y811-P924 WeakPolarHBondContact CB-O 3.37Å; K812-P924 HydrophobicContact CB-CG 4.41Å; K812-P924 HydrophobicContact CG-CB 3.67Å; K812-P924 HydrophobicContact CG-CG 3.56Å; L815-P924 HydrophobicContact CD1-CG 4.17Å; P924-L927 PolarHBondContact O-N 2.9Å; P924-Q928 WeakPolarHBondContact O-CB 3.41Å; P924-Q928 PolarHBondContact O-N 2.87Å |
| 925 | S | 87.1 | Confident | 83.1 | Confident | 65 Ų | 65 | 30 Ų | 30 | 46% | 0.455 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -69.6 | -35.1 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | Q923 A929 | Q923-S925 VanDerWaalsContact C-N 3.28Å; Q923-S925 PolarHBondContact O-N 2.76Å; S925-A929 WeakPolarHBondContact O-CB 3.26Å; S925-A929 PolarHBondContact O-N 3.04Å |
| 926 | E | 87.7 | Confident | 83.5 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.4 | -42.8 | 175.2 | -62.3 | 167.2 | 161 | 0 | 0 | 110.9 | Y615 K660 F922 Q923 A929 M930 | Y615-E926 PolarHBondContact OH-OE1 2.66Å; K660-E926 VanDerWaalsContact CD-OE2 3.27Å; K660-E926 WeakPolarHBondContact CD-OE2 3.34Å; K660-E926 IonicContact NZ-OE1 2.71Å; K660-E926 PolarHBondContact NZ-OE1 2.77Å; K660-E926 IonicContact NZ-OE2 3.38Å; K660-E926 PolarHBondContact NZ-OE2 2.68Å; F922-E926 WeakPolarHBondContact CA-OE2 3.41Å; F922-E926 HydrophobicContact CD1-CB 4.04Å; Q923-E926 HydrophobicContact CB-CB 4.45Å; Q923-E926 HydrophobicContact CB-CG 4.05Å; Q923-E926 PolarHBondContact N-OE2 2.95Å; Q923-E926 PolarHBondContact O-N 3.45Å; Q923-E926 VanDerWaalsContact O-N 3.12Å; E926-A929 PolarHBondContact O-N 2.86Å; E926-M930 WeakPolarHBondContact O-CB 3.22Å; E926-M930 PolarHBondContact O-N 3.22Å |
| 927 | L | 87.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.3 | 177.8 | 58.9 | 0 | 0 | 0 | 111.3 | Y811 L814 L815 L919 Q923 P924 M930 I931 | Y811-L927 HydrophobicContact CD1-CD2 4.32Å; Y811-L927 HydrophobicContact CD1-CG 3.99Å; L814-L927 HydrophobicContact CB-CD2 4.28Å; L814-L927 HydrophobicContact CD1-CD2 4.48Å; L815-L927 HydrophobicContact CD1-CB 4.34Å; L815-L927 HydrophobicContact CD1-CD2 3.96Å; L815-L927 HydrophobicContact CD2-CD2 3.92Å; L815-L927 HydrophobicContact CG-CD2 3.71Å; L919-L927 HydrophobicContact CD2-CD1 4.39Å; Q923-L927 PolarHBondContact O-N 2.94Å; P924-L927 PolarHBondContact O-N 2.9Å; L927-M930 HydrophobicContact CD1-CE 3.38Å; L927-M930 PolarHBondContact O-N 2.8Å; L927-I931 HydrophobicContact CD1-CD1 3.85Å; L927-I931 HydrophobicContact CD1-CG1 4.49Å; L927-I931 HydrophobicContact CG-CD1 4.09Å; L927-I931 WeakPolarHBondContact O-CG1 2.86Å; L927-I931 PolarHBondContact O-N 3.17Å |
| 928 | Q | 87.7 | Confident | 84.3 | Confident | 36 Ų | 36 | 31.5 Ų | 31.5 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.7 | -57.7 | 172.2 | -179.3 | 176.3 | 41.3 | 0 | 0 | 110.3 | F806 L808 Y811 P924 M930 I931 I932 | F806-Q928 PolarHBondContact O-NE2 2.85Å; L808-Q928 HydrophobicContact CD1-CB 4.46Å; Y811-Q928 HydrophobicContact CD1-CB 4.17Å; Y811-Q928 HydrophobicContact CD2-CB 3.57Å; Y811-Q928 HydrophobicContact CD2-CG 3.84Å; Y811-Q928 HydrophobicContact CE1-CB 4.18Å; Y811-Q928 HydrophobicContact CE1-CG 4.47Å; Y811-Q928 HydrophobicContact CE2-CB 3.59Å; Y811-Q928 HydrophobicContact CE2-CG 3.36Å; Y811-Q928 HydrophobicContact CG-CB 3.85Å; P924-Q928 WeakPolarHBondContact O-CB 3.41Å; P924-Q928 PolarHBondContact O-N 2.87Å; Q928-M930 PolarHBondContact O-N 2.92Å; Q928-M930 VanDerWaalsContact O-N 3.08Å; Q928-I931 PolarHBondContact O-N 2.81Å; Q928-I932 HydrophobicContact CG-CD1 3.64Å; Q928-I932 HydrophobicContact CG-CG1 3.95Å; Q928-I932 VanDerWaalsContact O-CG1 3.28Å; Q928-I932 WeakPolarHBondContact O-CG1 3.41Å; Q928-I932 PolarHBondContact O-N 3.36Å |
| 929 | A | 82.3 | Confident | 84.5 | Confident | 23 Ų | 23 | 32.8 Ų | 32.8 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.8 | -27.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S925 E926 G933 I989 | S925-A929 WeakPolarHBondContact O-CB 3.26Å; S925-A929 PolarHBondContact O-N 3.04Å; E926-A929 PolarHBondContact O-N 2.86Å; A929-G933 CarbonylContact O-C 3.55Å; A929-G933 VanDerWaalsContact O-C 3.27Å; A929-G933 WeakPolarHBondContact O-CA 3.48Å; A929-G933 PolarHBondContact O-N 2.63Å; A929-I989 HydrophobicContact CB-CD1 4.1Å |
| 930 | M | 81.4 | Confident | 84.7 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.5 | -38.1 | 174.2 | -176.7 | -179.6 | 64.9 | 0 | 0 | 112.9 | L664 I796 F922 E926 L927 Q928 I989 | L664-M930 HydrophobicContact CD2-CE 3.67Å; L664-M930 HydrophobicContact CD2-SD 3.13Å; L664-M930 WeakPolarHBondContact CD2-SD 3.18Å; I796-M930 HydrophobicContact CB-CE 4.45Å; I796-M930 HydrophobicContact CD1-CE 4.06Å; I796-M930 HydrophobicContact CG1-CE 4.16Å; I796-M930 HydrophobicContact CG2-CE 3.45Å; I796-M930 VanDerWaalsContact CG2-CE 3.45Å; I796-M930 HydrophobicContact CG2-SD 4Å; F922-M930 HydrophobicContact CE1-SD 4.16Å; F922-M930 HydrophobicContact CZ-SD 4.33Å; E926-M930 WeakPolarHBondContact O-CB 3.22Å; E926-M930 PolarHBondContact O-N 3.22Å; L927-M930 HydrophobicContact CD1-CE 3.38Å; L927-M930 PolarHBondContact O-N 2.8Å; Q928-M930 PolarHBondContact O-N 2.92Å; Q928-M930 VanDerWaalsContact O-N 3.08Å; M930-I989 HydrophobicContact CB-CD1 4.35Å |
| 931 | I | 81.6 | Confident | 84.8 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -78.4 | -46.9 | -177.5 | -70.6 | 163.9 | 0 | 0 | 0 | 111 | I796 V802 L804 Y811 F910 L927 Q928 | I796-I931 HydrophobicContact CD1-CD1 3.53Å; I796-I931 HydrophobicContact CD1-CG1 3.39Å; I796-I931 HydrophobicContact CG1-CD1 4.25Å; I796-I931 HydrophobicContact CG1-CG1 3.53Å; V802-I931 HydrophobicContact CG2-CG2 3.84Å; V802-I931 PolarHBondContact N-O 2.9Å; L804-I931 HydrophobicContact CB-CG2 4.33Å; L804-I931 HydrophobicContact CD1-CG2 3.45Å; L804-I931 VanDerWaalsContact CD1-CG2 3.45Å; Y811-I931 HydrophobicContact CD1-CD1 3.86Å; Y811-I931 HydrophobicContact CE1-CB 4.26Å; Y811-I931 HydrophobicContact CE1-CD1 3.47Å; Y811-I931 VanDerWaalsContact CE1-CD1 3.47Å; Y811-I931 HydrophobicContact CE1-CG1 4.42Å; F910-I931 HydrophobicContact CE2-CD1 4.33Å; L927-I931 HydrophobicContact CD1-CD1 3.85Å; L927-I931 HydrophobicContact CD1-CG1 4.49Å; L927-I931 HydrophobicContact CG-CD1 4.09Å; L927-I931 WeakPolarHBondContact O-CG1 2.86Å; L927-I931 PolarHBondContact O-N 3.17Å; Q928-I931 PolarHBondContact O-N 2.81Å |
| 932 | I | 80.6 | Confident | 84.9 | Confident | 11 Ų | 11 | 32.9 Ų | 32.9 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -99.2 | -9 | -173.9 | 65.8 | 168.2 | 0 | 0 | 0 | 113.7 | I801 L804 Q928 R986 | I801-I932 WeakPolarHBondContact CG2-O 2.97Å; L804-I932 HydrophobicContact CB-CG2 3.75Å; L804-I932 VanDerWaalsContact O-CG2 3.32Å; L804-I932 WeakPolarHBondContact O-CG2 3.14Å; Q928-I932 HydrophobicContact CG-CD1 3.64Å; Q928-I932 HydrophobicContact CG-CG1 3.95Å; Q928-I932 VanDerWaalsContact O-CG1 3.28Å; Q928-I932 WeakPolarHBondContact O-CG1 3.41Å; Q928-I932 PolarHBondContact O-N 3.36Å; I932-R986 WeakPolarHBondContact O-CB 3.08Å; I932-R986 WeakPolarHBondContact O-CD 3.28Å |
| 933 | G | 78.7 | Confident | 85 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | 81.9 | 170.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A929 I987 | A929-G933 CarbonylContact O-C 3.55Å; A929-G933 VanDerWaalsContact O-C 3.27Å; A929-G933 WeakPolarHBondContact O-CA 3.48Å; A929-G933 PolarHBondContact O-N 2.63Å; G933-I987 CarbonylContact C-O 3.13Å; G933-I987 WeakPolarHBondContact CA-O 3.48Å | ||
| 934 | N | 76.3 | Confident | 85.1 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -106.7 | 169.2 | 178.1 | 79.7 | 38.8 | 0 | 0 | 0 | 111.5 | N936 I987 | N934-N936 PolarHBondContact OD1-N 2.99Å; N934-N936 VanDerWaalsContact OD1-N 3.09Å; N934-I987 PolarHBondContact N-O 2.93Å; N934-I987 PolarHBondContact O-N 3.26Å; N934-I987 VanDerWaalsContact OD1-CD1 3.27Å; N934-I987 WeakPolarHBondContact OD1-CD1 3.48Å; N934-I987 WeakPolarHBondContact OD1-CG1 3.26Å |
| 935 | T | 78.3 | Confident | 85.1 | Confident | 68 Ų | 68 | 43.5 Ų | 43.5 | 42% | 0.417 | 23% | 0.23 | S | C | . | . | trans | -113.8 | 19.4 | -179.9 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | Y937 R986 | T935-Y937 WeakPolarHBondContact O-CD2 3.46Å; T935-Y937 WeakPolarHBondContact O-CE2 3.38Å; T935-Y937 PolarHBondContact O-N 2.82Å; T935-R986 HydrophobicContact CG2-CG 4.27Å | ||
| 936 | N | 79.7 | Confident | 85.4 | Confident | 128 Ų | 128 | 40.9 Ų | 40.9 | 68% | 0.684 | 21% | 0.212 | S | C | * | . | trans | -89.1 | 80.1 | -178.9 | -75.5 | -9.5 | 0 | 0 | 0 | 110.2 | N934 D938 I987 | N934-N936 PolarHBondContact OD1-N 2.99Å; N934-N936 VanDerWaalsContact OD1-N 3.09Å; N936-D938 PolarHBondContact O-N 2.87Å; N936-I987 WeakPolarHBondContact O-CD1 3.41Å | ||
| 937 | Y | 84.6 | Confident | 85.6 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | trans | -76.2 | 122.8 | -172.6 | -50.4 | -73.2 | 0 | 0 | 0 | 113.2 | T935 W939 L971 K975 L978 D985 I987 M992 | T935-Y937 WeakPolarHBondContact O-CD2 3.46Å; T935-Y937 WeakPolarHBondContact O-CE2 3.38Å; T935-Y937 PolarHBondContact O-N 2.82Å; Y937-W939 AromaticContact CD1-CH2 3.87Å; Y937-W939 HydrophobicContact CD1-CH2 3.87Å; Y937-W939 AromaticContact CD1-CZ2 3.72Å; Y937-W939 HydrophobicContact CD1-CZ2 3.72Å; Y937-W939 HydrophobicContact CD2-CZ2 4.22Å; Y937-W939 HydrophobicContact CE1-CH2 4.44Å; Y937-W939 HydrophobicContact CE1-CZ2 4.46Å; Y937-W939 HydrophobicContact CG-CH2 4.22Å; Y937-W939 AromaticContact CG-CZ2 3.58Å; Y937-W939 HydrophobicContact CG-CZ2 3.58Å; Y937-L971 HydrophobicContact CD2-CD1 4.07Å; Y937-K975 HydrophobicContact CE2-CD 4.44Å; Y937-K975 HydrophobicContact CE2-CG 4.2Å; Y937-L978 HydrophobicContact CD1-CD2 4.43Å; Y937-L978 HydrophobicContact CE1-CD2 4.01Å; Y937-D985 VanDerWaalsContact CE1-O 3.23Å; Y937-D985 WeakPolarHBondContact CE1-O 3.3Å; Y937-D985 PolarHBondContact OH-O 3.27Å; Y937-I987 HydrophobicContact CD1-CG2 4.22Å; Y937-I987 HydrophobicContact CE1-CG2 4.4Å; Y937-M992 HydrophobicContact CD1-CE 3.51Å; Y937-M992 HydrophobicContact CG-CE 4.02Å | ||
| 938 | D | 86.7 | Confident | 85.9 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | trans | -116.4 | 83.3 | 167.4 | -173.6 | -13.9 | 0 | 0 | 0 | 110.4 | N936 T940 E941 L942 M992 | N936-D938 PolarHBondContact O-N 2.87Å; D938-T940 PolarHBondContact O-N 2.89Å; D938-T940 VanDerWaalsContact O-N 3.15Å; D938-T940 PolarHBondContact OD1-N 3.09Å; D938-T940 VanDerWaalsContact OD1-N 3.11Å; D938-T940 PolarHBondContact OD1-OG1 3.34Å; D938-E941 HydrophobicContact CB-CB 4.13Å; D938-E941 PolarHBondContact O-N 3.4Å; D938-E941 VanDerWaalsContact O-N 3.07Å; D938-E941 PolarHBondContact OD1-N 2.79Å; D938-E941 VanDerWaalsContact OD1-N 3.14Å; D938-L942 PolarHBondContact O-N 2.87Å; D938-M992 PolarHBondContact N-SD 3.01Å; D938-M992 VanDerWaalsContact N-SD 3.45Å | ||
| 939 | W | 90 | Very high | 85.9 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -22.8 | -177.3 | -54.4 | 108.5 | 0 | 0 | 0 | 113.3 | Y937 L942 E943 F966 L971 K974 M992 | Y937-W939 AromaticContact CD1-CH2 3.87Å; Y937-W939 HydrophobicContact CD1-CH2 3.87Å; Y937-W939 AromaticContact CD1-CZ2 3.72Å; Y937-W939 HydrophobicContact CD1-CZ2 3.72Å; Y937-W939 HydrophobicContact CD2-CZ2 4.22Å; Y937-W939 HydrophobicContact CE1-CH2 4.44Å; Y937-W939 HydrophobicContact CE1-CZ2 4.46Å; Y937-W939 HydrophobicContact CG-CH2 4.22Å; Y937-W939 AromaticContact CG-CZ2 3.58Å; Y937-W939 HydrophobicContact CG-CZ2 3.58Å; W939-L942 HydrophobicContact CE3-CD2 3.95Å; W939-L942 HydrophobicContact CZ3-CD2 4.19Å; W939-E943 PolarHBondContact O-N 3.28Å; W939-F966 HydrophobicContact CB-CE1 4.28Å; W939-F966 HydrophobicContact CD2-CE1 4.21Å; W939-F966 HydrophobicContact CD2-CZ 4.18Å; W939-F966 AromaticContact CE3-CE1 3.75Å; W939-F966 HydrophobicContact CE3-CE1 3.75Å; W939-F966 AromaticContact CE3-CZ 3.45Å; W939-F966 HydrophobicContact CE3-CZ 3.45Å; W939-F966 VanDerWaalsContact CE3-CZ 3.45Å; W939-F966 HydrophobicContact CG-CE1 4.45Å; W939-F966 HydrophobicContact CZ3-CE1 4.48Å; W939-F966 AromaticContact CZ3-CZ 3.74Å; W939-F966 HydrophobicContact CZ3-CZ 3.74Å; W939-L971 HydrophobicContact CZ2-CD1 4.09Å; W939-K974 HydrophobicContact CD2-CB 4.42Å; W939-K974 HydrophobicContact CD2-CD 4.08Å; W939-K974 HydrophobicContact CG-CD 4.21Å; W939-K974 HydrophobicContact CH2-CB 3.71Å; W939-K974 HydrophobicContact CZ2-CB 3.53Å; W939-K974 HydrophobicContact CZ2-CD 4.39Å; W939-K974 HydrophobicContact CZ3-CB 4.22Å; W939-M992 HydrophobicContact CD2-CE 3.85Å; W939-M992 HydrophobicContact CD2-SD 4.3Å; W939-M992 HydrophobicContact CE3-CE 3.42Å; W939-M992 VanDerWaalsContact CE3-CE 3.42Å; W939-M992 HydrophobicContact CE3-SD 3.91Å; W939-M992 HydrophobicContact CH2-CE 3.69Å; W939-M992 HydrophobicContact CZ2-CE 4.07Å; W939-M992 HydrophobicContact CZ3-CE 3.35Å; W939-M992 HydrophobicContact CZ3-SD 4.35Å |
| 940 | T | 88.8 | Confident | 86.2 | Confident | 72 Ų | 72 | 53 Ų | 53 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.7 | -34.6 | 177 | 71.1 | 0 | 0 | 0 | 0 | 111.5 | D938 K944 | D938-T940 PolarHBondContact O-N 2.89Å; D938-T940 VanDerWaalsContact O-N 3.15Å; D938-T940 PolarHBondContact OD1-N 3.09Å; D938-T940 VanDerWaalsContact OD1-N 3.11Å; D938-T940 PolarHBondContact OD1-OG1 3.34Å; T940-K944 WeakPolarHBondContact O-CG 3.22Å; T940-K944 PolarHBondContact O-N 2.92Å |
| 941 | E | 87.8 | Confident | 86.4 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 23% | 0.234 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.7 | -34.3 | 174.5 | -168.6 | 65.1 | -172.1 | 0 | 0 | 111.4 | D938 K944 S945 K993 | D938-E941 HydrophobicContact CB-CB 4.13Å; D938-E941 PolarHBondContact O-N 3.4Å; D938-E941 VanDerWaalsContact O-N 3.07Å; D938-E941 PolarHBondContact OD1-N 2.79Å; D938-E941 VanDerWaalsContact OD1-N 3.14Å; E941-K944 PolarHBondContact O-N 3.06Å; E941-S945 WeakPolarHBondContact O-CB 3.21Å; E941-S945 PolarHBondContact O-N 2.9Å; E941-S945 PolarHBondContact O-OG 2.97Å; E941-S945 VanDerWaalsContact O-OG 3.14Å; E941-K993 HydrophobicContact CG-CB 3.83Å |
| 942 | L | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 173.9 | -177.6 | 65.8 | 0 | 0 | 0 | 112.4 | D938 W939 S945 T946 W963 F966 M992 L995 L997 | D938-L942 PolarHBondContact O-N 2.87Å; W939-L942 HydrophobicContact CE3-CD2 3.95Å; W939-L942 HydrophobicContact CZ3-CD2 4.19Å; L942-S945 PolarHBondContact O-N 2.77Å; L942-S945 PolarHBondContact O-OG 2.65Å; L942-T946 PolarHBondContact O-N 3.41Å; L942-T946 PolarHBondContact O-OG1 3.33Å; L942-W963 HydrophobicContact CD2-CH2 4.46Å; L942-W963 HydrophobicContact CG-CH2 4.22Å; L942-F966 HydrophobicContact CD2-CZ 4.49Å; L942-M992 HydrophobicContact CB-CB 4.29Å; L942-M992 HydrophobicContact CB-SD 3.74Å; L942-M992 HydrophobicContact CD2-SD 4.35Å; L942-L995 HydrophobicContact CD1-CB 4.38Å; L942-L995 HydrophobicContact CD1-CD2 3.54Å; L942-L997 HydrophobicContact CD1-CB 4.22Å |
| 943 | E | 92.1 | Very high | 87.4 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 34% | 0.341 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.6 | 178.5 | 177.4 | -177.8 | 0 | 0 | 111.4 | W939 S945 T946 W963 H967 | W939-E943 PolarHBondContact O-N 3.28Å; E943-S945 VanDerWaalsContact C-N 3.33Å; E943-S945 PolarHBondContact O-N 2.78Å; E943-T946 PolarHBondContact O-N 3.49Å; E943-W963 HydrophobicContact CB-CD2 4.04Å; E943-W963 HydrophobicContact CB-CE3 3.92Å; E943-W963 HydrophobicContact CB-CH2 3.96Å; E943-W963 HydrophobicContact CB-CZ2 4.06Å; E943-W963 HydrophobicContact CB-CZ3 3.88Å; E943-W963 HydrophobicContact CG-CD2 3.69Å; E943-W963 HydrophobicContact CG-CE3 4.06Å; E943-W963 HydrophobicContact CG-CG 4.01Å; E943-W963 HydrophobicContact CG-CZ2 4.18Å; E943-W963 HydrophobicContact CG-CZ3 4.45Å; E943-H967 IonicContact OE2-CD2 3.7Å; E943-H967 IonicContact OE2-CE1 2.72Å; E943-H967 IonicContact OE2-NE2 2.63Å; E943-H967 PolarHBondContact OE2-NE2 3.42Å |
| 944 | K | 89.9 | Confident | 88 | Confident | 153 Ų | 153 | 66.4 Ų | 66.4 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.9 | -34 | 178.6 | -70.7 | 171.4 | -170.5 | 162.9 | 0 | 113.2 | T940 E941 | T940-K944 WeakPolarHBondContact O-CG 3.22Å; T940-K944 PolarHBondContact O-N 2.92Å; E941-K944 PolarHBondContact O-N 3.06Å |
| 945 | S | 89.3 | Confident | 88.7 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -86.5 | -4 | -178.9 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | E941 L942 E943 E947 L995 | E941-S945 WeakPolarHBondContact O-CB 3.21Å; E941-S945 PolarHBondContact O-N 2.9Å; E941-S945 PolarHBondContact O-OG 2.97Å; E941-S945 VanDerWaalsContact O-OG 3.14Å; L942-S945 PolarHBondContact O-N 2.77Å; L942-S945 PolarHBondContact O-OG 2.65Å; E943-S945 VanDerWaalsContact C-N 3.33Å; E943-S945 PolarHBondContact O-N 2.78Å; S945-E947 PolarHBondContact O-N 3.24Å; S945-L995 PolarHBondContact OG-O 2.82Å |
| 946 | T | 92.3 | Very high | 89.4 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | trans | -71.7 | 127.3 | -177 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | L942 E943 Y948 W963 L997 I999 | L942-T946 PolarHBondContact O-N 3.41Å; L942-T946 PolarHBondContact O-OG1 3.33Å; E943-T946 PolarHBondContact O-N 3.49Å; T946-Y948 HydrophobicContact CG2-CD1 4.38Å; T946-Y948 HydrophobicContact CG2-CE1 3.79Å; T946-Y948 HydrophobicContact CG2-CE2 4.18Å; T946-Y948 WeakPolarHBondContact O-CE2 3.25Å; T946-W963 HydrophobicContact CG2-CZ2 4.16Å; T946-W963 WeakPolarHBondContact OG1-CZ2 3.39Å; T946-L997 CarbonylContact C-O 3.58Å; T946-L997 WeakPolarHBondContact CA-O 3.39Å; T946-L997 HydrophobicContact CG2-CB 4.36Å; T946-L997 HydrophobicContact CG2-CD2 4.12Å; T946-L997 HydrophobicContact CG2-CG 3.88Å; T946-I999 HydrophobicContact CG2-CD1 3.94Å; T946-I999 HydrophobicContact CG2-CG1 3.89Å | ||
| 947 | E | 92.6 | Very high | 89.8 | Confident | 87 Ų | 87 | 66.6 Ų | 66.6 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.4 | 175.1 | -65.5 | 178.8 | -167.9 | 0 | 0 | 110.1 | S945 K996 L997 V998 I999 | S945-E947 PolarHBondContact O-N 3.24Å; E947-K996 IonicContact OE1-NZ 3.65Å; E947-K996 PolarHBondContact OE1-NZ 3.01Å; E947-L997 PolarHBondContact N-O 2.91Å; E947-V998 HydrophobicContact CB-CG2 4.33Å; E947-V998 CarbonylContact O-C 3.52Å; E947-V998 VanDerWaalsContact O-CA 3.23Å; E947-V998 WeakPolarHBondContact O-CA 3.29Å; E947-I999 PolarHBondContact O-N 3.04Å |
| 948 | Y | 93.3 | Very high | 90.1 | Very high | 51 Ų | 51 | 65 Ų | 65 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.9 | 178.7 | -54.9 | -84.5 | 0 | 0 | 0 | 110.2 | T946 Y952 A954 I959 W963 I999 | T946-Y948 HydrophobicContact CG2-CD1 4.38Å; T946-Y948 HydrophobicContact CG2-CE1 3.79Å; T946-Y948 HydrophobicContact CG2-CE2 4.18Å; T946-Y948 WeakPolarHBondContact O-CE2 3.25Å; Y948-Y952 WeakPolarHBondContact CB-O 3.47Å; Y948-A954 HydrophobicContact CD2-CB 4.49Å; Y948-A954 HydrophobicContact CE2-CB 3.95Å; Y948-I959 HydrophobicContact CD1-CD1 3.88Å; Y948-I959 HydrophobicContact CD1-CG1 4.02Å; Y948-I959 HydrophobicContact CD1-CG2 4.22Å; Y948-I959 HydrophobicContact CE1-CB 4.29Å; Y948-I959 HydrophobicContact CE1-CD1 3.79Å; Y948-I959 HydrophobicContact CE1-CG1 3.94Å; Y948-I959 HydrophobicContact CE1-CG2 3.36Å; Y948-W963 PolarHBondContact OH-NE1 3.45Å; Y948-I999 WeakPolarHBondContact CA-O 3.49Å; Y948-I999 HydrophobicContact CD1-CB 4.06Å; Y948-I999 HydrophobicContact CE1-CB 4.34Å; Y948-I999 HydrophobicContact CE1-CD1 4.08Å; Y948-I999 HydrophobicContact CE1-CG1 4.48Å |
| 949 | K | 89.1 | Confident | 90.5 | Very high | 106 Ų | 106 | 61.4 Ų | 61.4 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | trans | -119.6 | 156.7 | 179.4 | -71.9 | -175.5 | -178.5 | 172.9 | 0 | 111.7 | E951 Y952 V998 I999 Q1000 P1001 | K949-E951 PolarHBondContact O-N 2.79Å; K949-Y952 PolarHBondContact O-N 3.18Å; K949-V998 HydrophobicContact CB-CG1 4.49Å; K949-V998 HydrophobicContact CD-CG1 3.64Å; K949-V998 HydrophobicContact CG-CG1 3.78Å; K949-I999 PolarHBondContact N-O 3.33Å; K949-Q1000 HydrophobicContact CB-CB 4.05Å; K949-P1001 WeakPolarHBondContact O-CD 3.44Å | ||
| 950 | G | 86.8 | Confident | 90.7 | Very high | 76 Ų | 76 | 65 Ų | 65 | 78% | 0.784 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | -123.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 951 | E | 85.8 | Confident | 90.8 | Very high | 117 Ų | 117 | 63.2 Ų | 63.2 | 55% | 0.547 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.3 | -177.5 | -60.6 | -176.7 | -140.2 | 0 | 0 | 114 | K949 W953 H956 P1001 K1023 | K949-E951 PolarHBondContact O-N 2.79Å; E951-W953 WeakPolarHBondContact O-CZ3 3.39Å; E951-H956 PolarHBondContact O-CD2 3.05Å; E951-P1001 HydrophobicContact CB-CG 4.27Å; E951-K1023 VanDerWaalsContact CD-NZ 3.34Å; E951-K1023 IonicContact OE1-NZ 3.62Å; E951-K1023 IonicContact OE2-NZ 2.57Å; E951-K1023 PolarHBondContact OE2-NZ 3.15Å |
| 952 | Y | 92.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | trans | -91.5 | 142 | 177.2 | -68.8 | -28.3 | 0 | 0 | 0 | 112.2 | Y948 K949 H956 I959 I999 P1001 L1021 P1022 K1023 | Y948-Y952 WeakPolarHBondContact CB-O 3.47Å; K949-Y952 PolarHBondContact O-N 3.18Å; Y952-H956 HydrophobicContact CD1-CB 4.46Å; Y952-H956 AromaticContact CD1-CD2 3.95Å; Y952-H956 AromaticContact CD1-CE1 3.76Å; Y952-H956 AromaticContact CD1-CG 3.78Å; Y952-H956 AromaticContact CD1-ND1 3.63Å; Y952-H956 AromaticContact CD1-NE2 3.96Å; Y952-H956 AromaticContact CE1-CE1 3.54Å; Y952-H956 AromaticContact CE1-ND1 3.71Å; Y952-I959 HydrophobicContact CD1-CD1 4.33Å; Y952-I959 HydrophobicContact CD1-CG1 4.18Å; Y952-I959 HydrophobicContact CD2-CD1 3.9Å; Y952-I959 HydrophobicContact CE2-CD1 4.35Å; Y952-I959 HydrophobicContact CG-CD1 3.89Å; Y952-I959 HydrophobicContact CG-CG1 4.02Å; Y952-I999 HydrophobicContact CD2-CG2 3.96Å; Y952-I999 HydrophobicContact CE2-CG2 4.23Å; Y952-P1001 HydrophobicContact CD2-CB 4.06Å; Y952-P1001 HydrophobicContact CD2-CG 4.36Å; Y952-P1001 HydrophobicContact CE1-CB 4.18Å; Y952-P1001 HydrophobicContact CE2-CB 3.66Å; Y952-P1001 HydrophobicContact CE2-CG 4.45Å; Y952-P1001 HydrophobicContact CG-CB 4.48Å; Y952-L1021 HydrophobicContact CE2-CB 4.02Å; Y952-L1021 HydrophobicContact CE2-CD2 4.47Å; Y952-L1021 VanDerWaalsContact CE2-O 3.28Å; Y952-L1021 WeakPolarHBondContact CE2-O 3.48Å; Y952-L1021 PolarHBondContact OH-O 3.15Å; Y952-P1022 VanDerWaalsContact OH-C 3.32Å; Y952-P1022 PolarHBondContact OH-O 3.41Å; Y952-K1023 HydrophobicContact CE1-CG 4Å; Y952-K1023 WeakPolarHBondContact OH-CA 3.19Å; Y952-K1023 WeakPolarHBondContact OH-CG 3.25Å; Y952-K1023 PolarHBondContact OH-N 3.37Å | ||
| 953 | W | 92.4 | Very high | 91.4 | Very high | 143 Ų | 143 | 61.2 Ų | 61.2 | 54% | 0.542 | 31% | 0.314 | S | S | . | . | trans | -144.8 | 168.1 | 168.7 | 67.7 | 97.2 | 0 | 0 | 0 | 108.5 | E951 E955 H956 | E951-W953 WeakPolarHBondContact O-CZ3 3.39Å; W953-E955 VanDerWaalsContact CD1-N 3.29Å; W953-E955 PolarHBondContact O-N 3.14Å; W953-H956 HydrophobicContact CD2-CB 3.95Å; W953-H956 HydrophobicContact CE3-CB 4.11Å; W953-H956 AromaticContact CE3-CD2 3.99Å; W953-H956 HydrophobicContact CG-CB 4.44Å; W953-H956 HydrophobicContact CH2-CB 4.43Å; W953-H956 AromaticContact CH2-CD2 3.68Å; W953-H956 HydrophobicContact CZ2-CB 4.28Å; W953-H956 HydrophobicContact CZ3-CB 4.37Å; W953-H956 AromaticContact CZ3-CD2 3.51Å; W953-H956 VanDerWaalsContact O-CB 3.25Å; W953-H956 WeakPolarHBondContact O-CB 3.3Å; W953-H956 PolarHBondContact O-N 2.95Å | ||
| 954 | A | 89.6 | Confident | 91.5 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 45% | 0.446 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -33.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y948 | Y948-A954 HydrophobicContact CD2-CB 4.49Å; Y948-A954 HydrophobicContact CE2-CB 3.95Å |
| 955 | E | 91.4 | Very high | 91.7 | Very high | 119 Ų | 119 | 55.2 Ų | 55.2 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.7 | -178.3 | -60.7 | -67.1 | 133.9 | 0 | 0 | 113.9 | W953 K960 | W953-E955 VanDerWaalsContact CD1-N 3.29Å; W953-E955 PolarHBondContact O-N 3.14Å; E955-K960 WeakPolarHBondContact OE2-CE 3.46Å; E955-K960 IonicContact OE2-NZ 2.72Å; E955-K960 PolarHBondContact OE2-NZ 2.98Å |
| 956 | H | 92.8 | Very high | 91.9 | Very high | 23 Ų | 23 | 54 Ų | 54 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | trans | -63.9 | 137.3 | -179.9 | -176.8 | -78.7 | 0 | 0 | 0 | 110.6 | E951 Y952 W953 T958 I959 K960 | E951-H956 PolarHBondContact O-CD2 3.05Å; Y952-H956 HydrophobicContact CD1-CB 4.46Å; Y952-H956 AromaticContact CD1-CD2 3.95Å; Y952-H956 AromaticContact CD1-CE1 3.76Å; Y952-H956 AromaticContact CD1-CG 3.78Å; Y952-H956 AromaticContact CD1-ND1 3.63Å; Y952-H956 AromaticContact CD1-NE2 3.96Å; Y952-H956 AromaticContact CE1-CE1 3.54Å; Y952-H956 AromaticContact CE1-ND1 3.71Å; W953-H956 HydrophobicContact CD2-CB 3.95Å; W953-H956 HydrophobicContact CE3-CB 4.11Å; W953-H956 AromaticContact CE3-CD2 3.99Å; W953-H956 HydrophobicContact CG-CB 4.44Å; W953-H956 HydrophobicContact CH2-CB 4.43Å; W953-H956 AromaticContact CH2-CD2 3.68Å; W953-H956 HydrophobicContact CZ2-CB 4.28Å; W953-H956 HydrophobicContact CZ3-CB 4.37Å; W953-H956 AromaticContact CZ3-CD2 3.51Å; W953-H956 VanDerWaalsContact O-CB 3.25Å; W953-H956 WeakPolarHBondContact O-CB 3.3Å; W953-H956 PolarHBondContact O-N 2.95Å; H956-T958 PolarHBondContact CE1-OG1 3.06Å; H956-T958 PolarHBondContact ND1-N 3.06Å; H956-T958 VanDerWaalsContact ND1-N 3.2Å; H956-T958 PolarHBondContact O-N 3.26Å; H956-I959 HydrophobicContact CB-CB 4.27Å; H956-I959 HydrophobicContact CB-CG1 4.02Å; H956-I959 WeakPolarHBondContact O-CA 3.18Å; H956-I959 WeakPolarHBondContact O-CB 3.41Å; H956-I959 PolarHBondContact O-N 3.05Å; H956-K960 PolarHBondContact O-N 2.97Å | ||
| 957 | P | 89.5 | Confident | 92 | Very high | 86 Ų | 86 | 56.6 Ų | 56.6 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -50.9 | -49.1 | -175.2 | -29.2 | 34.8 | 0 | 0 | 0 | 114.2 | I959 K960 L961 | P957-I959 VanDerWaalsContact C-N 3.29Å; P957-I959 PolarHBondContact O-N 3.4Å; P957-K960 PolarHBondContact O-N 2.72Å; P957-L961 WeakPolarHBondContact O-CG 3.18Å; P957-L961 PolarHBondContact O-N 3.42Å |
| 958 | T | 91.1 | Very high | 92 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -31.4 | 177.3 | -49.5 | 0 | 0 | 0 | 0 | 113.5 | H956 F962 L1021 Y1024 L1030 | H956-T958 PolarHBondContact CE1-OG1 3.06Å; H956-T958 PolarHBondContact ND1-N 3.06Å; H956-T958 VanDerWaalsContact ND1-N 3.2Å; H956-T958 PolarHBondContact O-N 3.26Å; T958-F962 WeakPolarHBondContact O-CB 3.49Å; T958-F962 PolarHBondContact O-N 3.34Å; T958-L1021 HydrophobicContact CG2-CD2 4.12Å; T958-Y1024 HydrophobicContact CG2-CD2 4.44Å; T958-Y1024 PolarHBondContact OG1-O 3.11Å; T958-L1030 HydrophobicContact CG2-CD1 4.34Å |
| 959 | I | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -74.5 | -39.7 | 178.8 | -65.4 | -54.7 | 0 | 0 | 0 | 110.9 | Y948 Y952 H956 P957 F962 W963 I999 L1021 | Y948-I959 HydrophobicContact CD1-CD1 3.88Å; Y948-I959 HydrophobicContact CD1-CG1 4.02Å; Y948-I959 HydrophobicContact CD1-CG2 4.22Å; Y948-I959 HydrophobicContact CE1-CB 4.29Å; Y948-I959 HydrophobicContact CE1-CD1 3.79Å; Y948-I959 HydrophobicContact CE1-CG1 3.94Å; Y948-I959 HydrophobicContact CE1-CG2 3.36Å; Y952-I959 HydrophobicContact CD1-CD1 4.33Å; Y952-I959 HydrophobicContact CD1-CG1 4.18Å; Y952-I959 HydrophobicContact CD2-CD1 3.9Å; Y952-I959 HydrophobicContact CE2-CD1 4.35Å; Y952-I959 HydrophobicContact CG-CD1 3.89Å; Y952-I959 HydrophobicContact CG-CG1 4.02Å; H956-I959 HydrophobicContact CB-CB 4.27Å; H956-I959 HydrophobicContact CB-CG1 4.02Å; H956-I959 WeakPolarHBondContact O-CA 3.18Å; H956-I959 WeakPolarHBondContact O-CB 3.41Å; H956-I959 PolarHBondContact O-N 3.05Å; P957-I959 VanDerWaalsContact C-N 3.29Å; P957-I959 PolarHBondContact O-N 3.4Å; I959-F962 WeakPolarHBondContact O-CB 3.22Å; I959-F962 PolarHBondContact O-N 2.76Å; I959-W963 PolarHBondContact O-N 2.82Å; I959-I999 HydrophobicContact CD1-CB 4.42Å; I959-I999 HydrophobicContact CD1-CD1 4.44Å; I959-I999 HydrophobicContact CD1-CG2 3.82Å; I959-L1021 HydrophobicContact CD1-CD2 4.11Å |
| 960 | K | 93.4 | Very high | 92.1 | Very high | 103 Ų | 103 | 54.8 Ų | 54.8 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 172.2 | -69.5 | -168.7 | 176.8 | -170.6 | 0 | 111.5 | E955 H956 P957 F962 W963 E964 | E955-K960 WeakPolarHBondContact OE2-CE 3.46Å; E955-K960 IonicContact OE2-NZ 2.72Å; E955-K960 PolarHBondContact OE2-NZ 2.98Å; H956-K960 PolarHBondContact O-N 2.97Å; P957-K960 PolarHBondContact O-N 2.72Å; K960-F962 VanDerWaalsContact C-N 3.27Å; K960-F962 PolarHBondContact O-N 3.08Å; K960-W963 PolarHBondContact O-N 2.89Å; K960-E964 VanDerWaalsContact O-CB 3.31Å; K960-E964 WeakPolarHBondContact O-CB 3.26Å; K960-E964 PolarHBondContact O-N 3Å |
| 961 | L | 92.6 | Very high | 92.2 | Very high | 36 Ų | 36 | 55.3 Ų | 55.3 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 175.4 | -67.3 | 178.6 | 0 | 0 | 0 | 111.6 | P957 V965 I1027 L1030 | P957-L961 WeakPolarHBondContact O-CG 3.18Å; P957-L961 PolarHBondContact O-N 3.42Å; L961-V965 WeakPolarHBondContact O-CB 3.13Å; L961-V965 VanDerWaalsContact O-CG2 3.27Å; L961-V965 WeakPolarHBondContact O-CG2 3.41Å; L961-V965 PolarHBondContact O-N 2.85Å; L961-I1027 HydrophobicContact CD2-CB 3.97Å; L961-I1027 HydrophobicContact CD2-CD1 4.34Å; L961-I1027 HydrophobicContact CD2-CG1 4.19Å; L961-L1030 HydrophobicContact CB-CD1 4.01Å |
| 962 | F | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -51.4 | 176.6 | 169.9 | -95.7 | 0 | 0 | 0 | 112.3 | T958 I959 K960 V965 F966 F977 I999 L1019 L1021 L1030 L1034 | T958-F962 WeakPolarHBondContact O-CB 3.49Å; T958-F962 PolarHBondContact O-N 3.34Å; I959-F962 WeakPolarHBondContact O-CB 3.22Å; I959-F962 PolarHBondContact O-N 2.76Å; K960-F962 VanDerWaalsContact C-N 3.27Å; K960-F962 PolarHBondContact O-N 3.08Å; F962-V965 PolarHBondContact O-N 3.49Å; F962-F966 VanDerWaalsContact O-CB 3.28Å; F962-F966 WeakPolarHBondContact O-CB 3.32Å; F962-F966 PolarHBondContact O-N 3.38Å; F962-F977 HydrophobicContact CE2-CE2 4.1Å; F962-F977 HydrophobicContact CE2-CZ 4.27Å; F962-F977 HydrophobicContact CZ-CE1 4.5Å; F962-F977 HydrophobicContact CZ-CE2 4.01Å; F962-F977 AromaticContact CZ-CZ 3.71Å; F962-F977 HydrophobicContact CZ-CZ 3.71Å; F962-I999 HydrophobicContact CD1-CD1 4.03Å; F962-I999 HydrophobicContact CE1-CD1 3.8Å; F962-I999 HydrophobicContact CZ-CD1 4.36Å; F962-L1019 HydrophobicContact CE2-CD2 3.81Å; F962-L1019 HydrophobicContact CZ-CD2 4.02Å; F962-L1021 HydrophobicContact CB-CD2 4.05Å; F962-L1021 HydrophobicContact CD2-CD1 4.28Å; F962-L1021 HydrophobicContact CD2-CD2 4.19Å; F962-L1021 HydrophobicContact CG-CD2 4.2Å; F962-L1030 HydrophobicContact CB-CD1 4.05Å; F962-L1030 HydrophobicContact CD2-CD2 4.47Å; F962-L1034 HydrophobicContact CD2-CD2 4.25Å; F962-L1034 HydrophobicContact CE2-CD1 4.25Å; F962-L1034 HydrophobicContact CE2-CD2 4.03Å |
| 963 | W | 94.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.8 | -34.7 | -178.4 | -74.7 | 115.7 | 0 | 0 | 0 | 113 | L942 E943 T946 Y948 I959 K960 F966 H967 L997 | L942-W963 HydrophobicContact CD2-CH2 4.46Å; L942-W963 HydrophobicContact CG-CH2 4.22Å; E943-W963 HydrophobicContact CB-CD2 4.04Å; E943-W963 HydrophobicContact CB-CE3 3.92Å; E943-W963 HydrophobicContact CB-CH2 3.96Å; E943-W963 HydrophobicContact CB-CZ2 4.06Å; E943-W963 HydrophobicContact CB-CZ3 3.88Å; E943-W963 HydrophobicContact CG-CD2 3.69Å; E943-W963 HydrophobicContact CG-CE3 4.06Å; E943-W963 HydrophobicContact CG-CG 4.01Å; E943-W963 HydrophobicContact CG-CZ2 4.18Å; E943-W963 HydrophobicContact CG-CZ3 4.45Å; T946-W963 HydrophobicContact CG2-CZ2 4.16Å; T946-W963 WeakPolarHBondContact OG1-CZ2 3.39Å; Y948-W963 PolarHBondContact OH-NE1 3.45Å; I959-W963 PolarHBondContact O-N 2.82Å; K960-W963 PolarHBondContact O-N 2.89Å; W963-F966 HydrophobicContact CE3-CB 4.26Å; W963-F966 AromaticContact CE3-CD1 3.71Å; W963-F966 HydrophobicContact CE3-CD1 3.71Å; W963-F966 HydrophobicContact CE3-CE1 4.45Å; W963-F966 HydrophobicContact CE3-CG 4.21Å; W963-F966 AromaticContact CZ3-CD1 3.58Å; W963-F966 HydrophobicContact CZ3-CD1 3.58Å; W963-F966 AromaticContact CZ3-CE1 3.89Å; W963-F966 HydrophobicContact CZ3-CE1 3.89Å; W963-F966 HydrophobicContact CZ3-CG 4.21Å; W963-F966 PolarHBondContact O-N 2.79Å; W963-H967 WeakPolarHBondContact O-CB 3.39Å; W963-H967 PolarHBondContact O-CD2 2.93Å; W963-H967 PolarHBondContact O-N 2.97Å; W963-L997 HydrophobicContact CH2-CD2 3.99Å; W963-L997 HydrophobicContact CZ2-CD2 4.09Å |
| 964 | E | 93.6 | Very high | 92 | Very high | 100 Ų | 100 | 52.3 Ų | 52.3 | 47% | 0.467 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.3 | -53.3 | 171.4 | -174.5 | 175.5 | 180 | 0 | 0 | 110.6 | K960 F966 H967 E968 I1027 | K960-E964 VanDerWaalsContact O-CB 3.31Å; K960-E964 WeakPolarHBondContact O-CB 3.26Å; K960-E964 PolarHBondContact O-N 3Å; E964-F966 VanDerWaalsContact C-N 3.35Å; E964-F966 PolarHBondContact O-N 3.45Å; E964-H967 PolarHBondContact O-N 2.75Å; E964-E968 WeakPolarHBondContact O-CG 3.14Å; E964-E968 PolarHBondContact O-N 2.83Å; E964-I1027 HydrophobicContact CG-CD1 3.98Å |
| 965 | V | 93.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 176.2 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | L961 F962 E968 L969 I1027 L1030 R1031 L1034 | L961-V965 WeakPolarHBondContact O-CB 3.13Å; L961-V965 VanDerWaalsContact O-CG2 3.27Å; L961-V965 WeakPolarHBondContact O-CG2 3.41Å; L961-V965 PolarHBondContact O-N 2.85Å; F962-V965 PolarHBondContact O-N 3.49Å; V965-E968 PolarHBondContact O-N 2.83Å; V965-L969 WeakPolarHBondContact O-CG 3.09Å; V965-L969 PolarHBondContact O-N 2.82Å; V965-I1027 HydrophobicContact CG2-CD1 4Å; V965-I1027 HydrophobicContact CG2-CG1 3.37Å; V965-L1030 HydrophobicContact CB-CD2 3.85Å; V965-L1030 HydrophobicContact CG1-CD2 3.94Å; V965-L1030 HydrophobicContact CG2-CD2 3.92Å; V965-R1031 HydrophobicContact CG1-CB 3.85Å; V965-R1031 HydrophobicContact CG1-CG 3.94Å; V965-R1031 HydrophobicContact CG2-CB 4.12Å; V965-L1034 HydrophobicContact CG1-CD2 4.14Å |
| 966 | F | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | -178.5 | -180 | -98.6 | 0 | 0 | 0 | 112.1 | W939 L942 F962 W963 E964 E968 L969 K974 F977 | W939-F966 HydrophobicContact CB-CE1 4.28Å; W939-F966 HydrophobicContact CD2-CE1 4.21Å; W939-F966 HydrophobicContact CD2-CZ 4.18Å; W939-F966 AromaticContact CE3-CE1 3.75Å; W939-F966 HydrophobicContact CE3-CE1 3.75Å; W939-F966 AromaticContact CE3-CZ 3.45Å; W939-F966 HydrophobicContact CE3-CZ 3.45Å; W939-F966 VanDerWaalsContact CE3-CZ 3.45Å; W939-F966 HydrophobicContact CG-CE1 4.45Å; W939-F966 HydrophobicContact CZ3-CE1 4.48Å; W939-F966 AromaticContact CZ3-CZ 3.74Å; W939-F966 HydrophobicContact CZ3-CZ 3.74Å; L942-F966 HydrophobicContact CD2-CZ 4.49Å; F962-F966 VanDerWaalsContact O-CB 3.28Å; F962-F966 WeakPolarHBondContact O-CB 3.32Å; F962-F966 PolarHBondContact O-N 3.38Å; W963-F966 HydrophobicContact CE3-CB 4.26Å; W963-F966 AromaticContact CE3-CD1 3.71Å; W963-F966 HydrophobicContact CE3-CD1 3.71Å; W963-F966 HydrophobicContact CE3-CE1 4.45Å; W963-F966 HydrophobicContact CE3-CG 4.21Å; W963-F966 AromaticContact CZ3-CD1 3.58Å; W963-F966 HydrophobicContact CZ3-CD1 3.58Å; W963-F966 AromaticContact CZ3-CE1 3.89Å; W963-F966 HydrophobicContact CZ3-CE1 3.89Å; W963-F966 HydrophobicContact CZ3-CG 4.21Å; W963-F966 PolarHBondContact O-N 2.79Å; E964-F966 VanDerWaalsContact C-N 3.35Å; E964-F966 PolarHBondContact O-N 3.45Å; F966-E968 VanDerWaalsContact C-N 3.3Å; F966-E968 PolarHBondContact O-N 3.45Å; F966-L969 HydrophobicContact CD2-CD1 4.2Å; F966-L969 WeakPolarHBondContact O-CB 3.33Å; F966-L969 PolarHBondContact O-N 3.04Å; F966-L969 VanDerWaalsContact O-N 3.14Å; F966-K974 HydrophobicContact CE1-CD 4.48Å; F966-K974 HydrophobicContact CE2-CB 4.44Å; F966-K974 HydrophobicContact CE2-CG 4.16Å; F966-K974 HydrophobicContact CZ-CB 4.27Å; F966-K974 HydrophobicContact CZ-CD 4.42Å; F966-K974 HydrophobicContact CZ-CG 4.04Å; F966-K974 WeakPolarHBondContact O-CE 3.15Å; F966-F977 HydrophobicContact CD2-CD1 4.08Å; F966-F977 HydrophobicContact CD2-CE1 4.4Å; F966-F977 HydrophobicContact CD2-CG 4.21Å; F966-F977 HydrophobicContact CE2-CB 4.04Å; F966-F977 AromaticContact CE2-CD1 3.33Å; F966-F977 HydrophobicContact CE2-CD1 3.33Å; F966-F977 AromaticContact CE2-CE1 3.89Å; F966-F977 HydrophobicContact CE2-CE1 3.89Å; F966-F977 AromaticContact CE2-CG 3.71Å; F966-F977 HydrophobicContact CE2-CG 3.71Å; F966-F977 HydrophobicContact CZ-CD1 4.08Å |
| 967 | H | 93.6 | Very high | 91.4 | Very high | 66 Ų | 66 | 49 Ų | 49 | 31% | 0.306 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68 | -30.1 | -178.8 | -79.8 | -54.4 | 0 | 0 | 0 | 113 | E943 W963 E964 L969 K974 | E943-H967 IonicContact OE2-CD2 3.7Å; E943-H967 IonicContact OE2-CE1 2.72Å; E943-H967 IonicContact OE2-NE2 2.63Å; E943-H967 PolarHBondContact OE2-NE2 3.42Å; W963-H967 WeakPolarHBondContact O-CB 3.39Å; W963-H967 PolarHBondContact O-CD2 2.93Å; W963-H967 PolarHBondContact O-N 2.97Å; E964-H967 PolarHBondContact O-N 2.75Å; H967-L969 VanDerWaalsContact C-N 3.28Å; H967-L969 PolarHBondContact O-N 2.98Å; H967-K974 PolarHBondContact O-NZ 3.14Å |
| 968 | E | 93.2 | Very high | 91.3 | Very high | 109 Ų | 109 | 44.9 Ų | 44.9 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.6 | -17.2 | 173.4 | -70.3 | 178 | 153 | 0 | 0 | 113.9 | E964 V965 F966 R1031 | E964-E968 WeakPolarHBondContact O-CG 3.14Å; E964-E968 PolarHBondContact O-N 2.83Å; V965-E968 PolarHBondContact O-N 2.83Å; F966-E968 VanDerWaalsContact C-N 3.3Å; F966-E968 PolarHBondContact O-N 3.45Å; E968-R1031 IonicContact OE2-CZ 3.63Å; E968-R1031 IonicContact OE2-NH2 2.59Å; E968-R1031 PolarHBondContact OE2-NH2 2.92Å |
| 969 | L | 92 | Very high | 90.9 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -65 | 142.9 | 179.5 | -67.6 | 176.4 | 0 | 0 | 0 | 112.2 | V965 F966 H967 K973 K974 L1035 | V965-L969 WeakPolarHBondContact O-CG 3.09Å; V965-L969 PolarHBondContact O-N 2.82Å; F966-L969 HydrophobicContact CD2-CD1 4.2Å; F966-L969 WeakPolarHBondContact O-CB 3.33Å; F966-L969 PolarHBondContact O-N 3.04Å; F966-L969 VanDerWaalsContact O-N 3.14Å; H967-L969 VanDerWaalsContact C-N 3.28Å; H967-L969 PolarHBondContact O-N 2.98Å; L969-K973 HydrophobicContact CB-CB 4.15Å; L969-K973 HydrophobicContact CD1-CB 4.39Å; L969-K973 HydrophobicContact CD2-CB 4.25Å; L969-K973 HydrophobicContact CG-CB 4.5Å; L969-K974 HydrophobicContact CB-CG 3.91Å; L969-K974 WeakPolarHBondContact O-CE 3.26Å; L969-K974 PolarHBondContact O-NZ 3.2Å; L969-L1035 HydrophobicContact CD2-CD2 3.62Å; L969-L1035 HydrophobicContact CD2-CG 4.45Å |
| 970 | P | 92.5 | Very high | 90.5 | Very high | 81 Ų | 81 | 48.5 Ų | 48.5 | 53% | 0.526 | 24% | 0.235 | S | C | . | . | trans | -65.8 | 156.7 | 169.9 | 28.9 | -34.3 | 0 | 0 | 0 | 111.1 | E972 K973 K974 | P970-E972 VanDerWaalsContact C-N 3.26Å; P970-E972 PolarHBondContact O-N 3.25Å; P970-E972 VanDerWaalsContact O-N 3.16Å; P970-K973 HydrophobicContact CG-CB 4.09Å; P970-K973 HydrophobicContact CG-CG 3.77Å; P970-K973 PolarHBondContact O-N 3.06Å; P970-K974 PolarHBondContact O-N 3.36Å; P970-K974 VanDerWaalsContact O-N 3.07Å | ||
| 971 | L | 88.4 | Confident | 90.1 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -53.3 | -40.5 | -175.8 | -178.4 | 63.7 | 0 | 0 | 0 | 113.2 | Y937 W939 K973 K974 K975 | Y937-L971 HydrophobicContact CD2-CD1 4.07Å; W939-L971 HydrophobicContact CZ2-CD1 4.09Å; L971-K973 VanDerWaalsContact C-N 3.34Å; L971-K973 PolarHBondContact O-N 3.26Å; L971-K974 PolarHBondContact O-N 3.21Å; L971-K975 WeakPolarHBondContact O-CG 3.44Å; L971-K975 PolarHBondContact O-N 3.04Å |
| 972 | E | 87.2 | Confident | 89.3 | Confident | 121 Ų | 121 | 42.2 Ų | 42.2 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -56.6 | -44.8 | 175.9 | -71.6 | -69.7 | 122.9 | 0 | 0 | 112.3 | P970 K975 M976 | P970-E972 VanDerWaalsContact C-N 3.26Å; P970-E972 PolarHBondContact O-N 3.25Å; P970-E972 VanDerWaalsContact O-N 3.16Å; E972-K975 WeakPolarHBondContact O-CB 3.33Å; E972-K975 PolarHBondContact O-N 3.33Å; E972-M976 WeakPolarHBondContact O-CG 3.41Å; E972-M976 PolarHBondContact O-N 2.8Å |
| 973 | K | 88.8 | Confident | 88.3 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -73.1 | -32.1 | 179.1 | -66.6 | -71.6 | 178.8 | 174.6 | 0 | 111.8 | L969 P970 L971 M976 F977 L1035 I1038 D1039 | L969-K973 HydrophobicContact CB-CB 4.15Å; L969-K973 HydrophobicContact CD1-CB 4.39Å; L969-K973 HydrophobicContact CD2-CB 4.25Å; L969-K973 HydrophobicContact CG-CB 4.5Å; P970-K973 HydrophobicContact CG-CB 4.09Å; P970-K973 HydrophobicContact CG-CG 3.77Å; P970-K973 PolarHBondContact O-N 3.06Å; L971-K973 VanDerWaalsContact C-N 3.34Å; L971-K973 PolarHBondContact O-N 3.26Å; K973-M976 PolarHBondContact O-N 3.09Å; K973-F977 PolarHBondContact O-N 3.13Å; K973-L1035 HydrophobicContact CD-CD2 4.15Å; K973-L1035 HydrophobicContact CG-CD2 4.45Å; K973-I1038 HydrophobicContact CB-CD1 4.14Å; K973-I1038 HydrophobicContact CD-CD1 4Å; K973-D1039 IonicContact NZ-OD1 2.67Å; K973-D1039 PolarHBondContact NZ-OD1 2.96Å; K973-D1039 IonicContact NZ-OD2 3.4Å; K973-D1039 PolarHBondContact NZ-OD2 3.17Å |
| 974 | K | 90.7 | Very high | 87.4 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 172.4 | -67.5 | 179.7 | 171.9 | 165.6 | 0 | 112 | W939 F966 H967 L969 P970 L971 F977 L978 | W939-K974 HydrophobicContact CD2-CB 4.42Å; W939-K974 HydrophobicContact CD2-CD 4.08Å; W939-K974 HydrophobicContact CG-CD 4.21Å; W939-K974 HydrophobicContact CH2-CB 3.71Å; W939-K974 HydrophobicContact CZ2-CB 3.53Å; W939-K974 HydrophobicContact CZ2-CD 4.39Å; W939-K974 HydrophobicContact CZ3-CB 4.22Å; F966-K974 HydrophobicContact CE1-CD 4.48Å; F966-K974 HydrophobicContact CE2-CB 4.44Å; F966-K974 HydrophobicContact CE2-CG 4.16Å; F966-K974 HydrophobicContact CZ-CB 4.27Å; F966-K974 HydrophobicContact CZ-CD 4.42Å; F966-K974 HydrophobicContact CZ-CG 4.04Å; F966-K974 WeakPolarHBondContact O-CE 3.15Å; H967-K974 PolarHBondContact O-NZ 3.14Å; L969-K974 HydrophobicContact CB-CG 3.91Å; L969-K974 WeakPolarHBondContact O-CE 3.26Å; L969-K974 PolarHBondContact O-NZ 3.2Å; P970-K974 PolarHBondContact O-N 3.36Å; P970-K974 VanDerWaalsContact O-N 3.07Å; L971-K974 PolarHBondContact O-N 3.21Å; K974-F977 WeakPolarHBondContact O-CB 3.29Å; K974-F977 PolarHBondContact O-N 3.46Å; K974-L978 PolarHBondContact O-N 3.14Å |
| 975 | K | 87.1 | Confident | 86.7 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 22% | 0.217 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 171.3 | -72 | 177.5 | -179.9 | 177.3 | 0 | 111.9 | Y937 L971 E972 F977 L978 L979 D985 | Y937-K975 HydrophobicContact CE2-CD 4.44Å; Y937-K975 HydrophobicContact CE2-CG 4.2Å; L971-K975 WeakPolarHBondContact O-CG 3.44Å; L971-K975 PolarHBondContact O-N 3.04Å; E972-K975 WeakPolarHBondContact O-CB 3.33Å; E972-K975 PolarHBondContact O-N 3.33Å; K975-F977 VanDerWaalsContact C-N 3.3Å; K975-F977 PolarHBondContact O-N 2.88Å; K975-L978 WeakPolarHBondContact O-CB 3.35Å; K975-L978 PolarHBondContact O-N 3.5Å; K975-L978 VanDerWaalsContact O-N 3.11Å; K975-L979 PolarHBondContact O-N 2.84Å; K975-D985 HydrophobicContact CB-CB 4.22Å |
| 976 | M | 84.9 | Confident | 86 | Confident | 76 Ų | 76 | 46 Ų | 46 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.4 | -36.6 | 175 | -70 | -67.5 | 178.1 | 0 | 0 | 112.5 | E972 K973 L979 F980 I1038 | E972-M976 WeakPolarHBondContact O-CG 3.41Å; E972-M976 PolarHBondContact O-N 2.8Å; K973-M976 PolarHBondContact O-N 3.09Å; M976-L979 PolarHBondContact O-N 3.06Å; M976-L979 HydrophobicContact SD-CD2 4.23Å; M976-F980 VanDerWaalsContact O-CB 3.31Å; M976-F980 WeakPolarHBondContact O-CB 3.13Å; M976-F980 PolarHBondContact O-N 2.9Å; M976-I1038 HydrophobicContact CB-CB 4.49Å |
| 977 | F | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 171.6 | 174.2 | -95.3 | 0 | 0 | 0 | 111.8 | F962 F966 K973 K974 K975 L979 F980 L981 L1019 L1034 I1038 | F962-F977 HydrophobicContact CE2-CE2 4.1Å; F962-F977 HydrophobicContact CE2-CZ 4.27Å; F962-F977 HydrophobicContact CZ-CE1 4.5Å; F962-F977 HydrophobicContact CZ-CE2 4.01Å; F962-F977 AromaticContact CZ-CZ 3.71Å; F962-F977 HydrophobicContact CZ-CZ 3.71Å; F966-F977 HydrophobicContact CD2-CD1 4.08Å; F966-F977 HydrophobicContact CD2-CE1 4.4Å; F966-F977 HydrophobicContact CD2-CG 4.21Å; F966-F977 HydrophobicContact CE2-CB 4.04Å; F966-F977 AromaticContact CE2-CD1 3.33Å; F966-F977 HydrophobicContact CE2-CD1 3.33Å; F966-F977 AromaticContact CE2-CE1 3.89Å; F966-F977 HydrophobicContact CE2-CE1 3.89Å; F966-F977 AromaticContact CE2-CG 3.71Å; F966-F977 HydrophobicContact CE2-CG 3.71Å; F966-F977 HydrophobicContact CZ-CD1 4.08Å; K973-F977 PolarHBondContact O-N 3.13Å; K974-F977 WeakPolarHBondContact O-CB 3.29Å; K974-F977 PolarHBondContact O-N 3.46Å; K975-F977 VanDerWaalsContact C-N 3.3Å; K975-F977 PolarHBondContact O-N 2.88Å; F977-L979 VanDerWaalsContact C-N 3.31Å; F977-L979 PolarHBondContact O-N 2.92Å; F977-F980 HydrophobicContact CD2-CD1 4.44Å; F977-F980 WeakPolarHBondContact O-CB 3.34Å; F977-F980 PolarHBondContact O-N 2.74Å; F977-L981 HydrophobicContact CE1-CB 4.39Å; F977-L981 HydrophobicContact CE1-CD2 4.02Å; F977-L981 HydrophobicContact CZ-CB 4.49Å; F977-L981 HydrophobicContact CZ-CD2 4.36Å; F977-L981 VanDerWaalsContact O-CB 3.3Å; F977-L981 WeakPolarHBondContact O-CB 3.41Å; F977-L981 PolarHBondContact O-N 3.22Å; F977-L1019 HydrophobicContact CE2-CD2 4.2Å; F977-L1019 HydrophobicContact CZ-CD2 4.23Å; F977-L1034 HydrophobicContact CD2-CD1 4.11Å; F977-L1034 HydrophobicContact CE2-CD1 4.12Å; F977-I1038 HydrophobicContact CB-CG2 4.03Å; F977-I1038 HydrophobicContact CD2-CG2 3.97Å |
| 978 | L | 87.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 177 | -168.7 | 68.8 | 0 | 0 | 0 | 111.4 | Y937 K974 K975 L981 T982 S984 I987 L995 | Y937-L978 HydrophobicContact CD1-CD2 4.43Å; Y937-L978 HydrophobicContact CE1-CD2 4.01Å; K974-L978 PolarHBondContact O-N 3.14Å; K975-L978 WeakPolarHBondContact O-CB 3.35Å; K975-L978 PolarHBondContact O-N 3.5Å; K975-L978 VanDerWaalsContact O-N 3.11Å; L978-L981 PolarHBondContact O-N 3.26Å; L978-T982 HydrophobicContact CD1-CG2 3.74Å; L978-T982 HydrophobicContact CG-CG2 4.29Å; L978-T982 WeakPolarHBondContact O-CB 3.14Å; L978-T982 WeakPolarHBondContact O-CG2 3.13Å; L978-T982 PolarHBondContact O-N 2.89Å; L978-T982 PolarHBondContact O-OG1 3.03Å; L978-S984 CarbonylContact C-O 3.57Å; L978-S984 WeakPolarHBondContact CG-O 3.03Å; L978-S984 VanDerWaalsContact O-O 3.09Å; L978-I987 HydrophobicContact CD2-CG2 3.54Å; L978-L995 HydrophobicContact CD1-CD1 4.26Å; L978-L995 HydrophobicContact CD1-CD2 4.14Å |
| 979 | L | 83.1 | Confident | 83.4 | Confident | 55 Ų | 55 | 40.4 Ų | 40.4 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 172.5 | -179.3 | 62.7 | 0 | 0 | 0 | 111.3 | K975 M976 F977 L981 G983 S984 D985 | K975-L979 PolarHBondContact O-N 2.84Å; M976-L979 PolarHBondContact O-N 3.06Å; M976-L979 HydrophobicContact SD-CD2 4.23Å; F977-L979 VanDerWaalsContact C-N 3.31Å; F977-L979 PolarHBondContact O-N 2.92Å; L979-L981 VanDerWaalsContact C-N 3.32Å; L979-L981 PolarHBondContact O-N 2.83Å; L979-G983 VanDerWaalsContact O-CA 3.28Å; L979-G983 WeakPolarHBondContact O-CA 3.22Å; L979-G983 PolarHBondContact O-N 3.49Å; L979-S984 WeakPolarHBondContact CA-O 3.13Å; L979-S984 PolarHBondContact N-O 3.42Å; L979-D985 HydrophobicContact CB-CB 4.45Å |
| 980 | F | 84.8 | Confident | 82.4 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 13% | 0.127 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -41.6 | 175.5 | 172.8 | -106.6 | 0 | 0 | 0 | 112.3 | M976 F977 P1010 A1012 T1014 L1019 A1037 I1038 N1041 | M976-F980 VanDerWaalsContact O-CB 3.31Å; M976-F980 WeakPolarHBondContact O-CB 3.13Å; M976-F980 PolarHBondContact O-N 2.9Å; F977-F980 HydrophobicContact CD2-CD1 4.44Å; F977-F980 WeakPolarHBondContact O-CB 3.34Å; F977-F980 PolarHBondContact O-N 2.74Å; F980-P1010 WeakPolarHBondContact CZ-O 3.26Å; F980-A1012 HydrophobicContact CD1-CB 3.9Å; F980-A1012 HydrophobicContact CD2-CB 4.47Å; F980-A1012 HydrophobicContact CE1-CB 3.59Å; F980-A1012 HydrophobicContact CE2-CB 4.19Å; F980-A1012 HydrophobicContact CG-CB 4.33Å; F980-A1012 HydrophobicContact CZ-CB 3.74Å; F980-A1012 WeakPolarHBondContact O-CB 3.34Å; F980-T1014 WeakPolarHBondContact O-CG2 3.43Å; F980-L1019 HydrophobicContact CE1-CD1 3.83Å; F980-A1037 HydrophobicContact CE2-CB 4.28Å; F980-A1037 HydrophobicContact CZ-CB 4.03Å; F980-I1038 HydrophobicContact CB-CG2 4.18Å; F980-I1038 HydrophobicContact CD1-CG2 4.14Å; F980-I1038 HydrophobicContact CG-CG2 4.22Å; F980-N1041 HydrophobicContact CB-CB 4.49Å; F980-N1041 HydrophobicContact CD2-CB 4.31Å |
| 981 | L | 84.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -78 | -39.3 | -177.1 | 176.2 | 67.7 | 0 | 0 | 0 | 113.4 | F977 L978 L979 L995 L997 T1014 L1019 | F977-L981 HydrophobicContact CE1-CB 4.39Å; F977-L981 HydrophobicContact CE1-CD2 4.02Å; F977-L981 HydrophobicContact CZ-CB 4.49Å; F977-L981 HydrophobicContact CZ-CD2 4.36Å; F977-L981 VanDerWaalsContact O-CB 3.3Å; F977-L981 WeakPolarHBondContact O-CB 3.41Å; F977-L981 PolarHBondContact O-N 3.22Å; L978-L981 PolarHBondContact O-N 3.26Å; L979-L981 VanDerWaalsContact C-N 3.32Å; L979-L981 PolarHBondContact O-N 2.83Å; L981-L995 HydrophobicContact CD2-CD2 4.18Å; L981-L997 HydrophobicContact CD1-CD1 3.48Å; L981-L997 VanDerWaalsContact CD1-CD1 3.48Å; L981-L997 HydrophobicContact CD2-CB 4.26Å; L981-L997 HydrophobicContact CD2-CD1 3.58Å; L981-L997 HydrophobicContact CD2-CD2 4.29Å; L981-L997 HydrophobicContact CD2-CG 4.23Å; L981-L997 HydrophobicContact CG-CD1 4.14Å; L981-T1014 VanDerWaalsContact O-CA 3.29Å; L981-T1014 WeakPolarHBondContact O-CA 3.42Å; L981-L1019 HydrophobicContact CD1-CB 4.26Å |
| 982 | T | 77.2 | Confident | 81.3 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -119.6 | -13.4 | -162.5 | 74.9 | 0 | 0 | 0 | 0 | 113.4 | K745 L978 S984 L995 | K745-T982 PolarHBondContact NZ-O 3Å; L978-T982 HydrophobicContact CD1-CG2 3.74Å; L978-T982 HydrophobicContact CG-CG2 4.29Å; L978-T982 WeakPolarHBondContact O-CB 3.14Å; L978-T982 WeakPolarHBondContact O-CG2 3.13Å; L978-T982 PolarHBondContact O-N 2.89Å; L978-T982 PolarHBondContact O-OG1 3.03Å; T982-S984 VanDerWaalsContact C-N 3.3Å; T982-S984 PolarHBondContact OG1-N 3.16Å; T982-S984 PolarHBondContact OG1-O 2.74Å; T982-L995 HydrophobicContact CG2-CD1 3.81Å; T982-L995 HydrophobicContact CG2-CD2 4.01Å; T982-L995 HydrophobicContact CG2-CG 4.36Å |
| 983 | G | 73.3 | Confident | 80.9 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 25% | 0.247 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 81.7 | 3.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L979 | L979-G983 VanDerWaalsContact O-CA 3.28Å; L979-G983 WeakPolarHBondContact O-CA 3.22Å; L979-G983 PolarHBondContact O-N 3.49Å |
| 984 | S | 75.1 | Confident | 80.3 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 16% | 0.161 | 19% | 0.193 | C | C | . | . | trans | -145 | 148.5 | 176.4 | -176.6 | 0 | 0 | 0 | 0 | 111 | L978 L979 T982 R986 | L978-S984 CarbonylContact C-O 3.57Å; L978-S984 WeakPolarHBondContact CG-O 3.03Å; L978-S984 VanDerWaalsContact O-O 3.09Å; L979-S984 WeakPolarHBondContact CA-O 3.13Å; L979-S984 PolarHBondContact N-O 3.42Å; T982-S984 VanDerWaalsContact C-N 3.3Å; T982-S984 PolarHBondContact OG1-N 3.16Å; T982-S984 PolarHBondContact OG1-O 2.74Å; S984-R986 VanDerWaalsContact C-N 3.26Å; S984-R986 PolarHBondContact OG-N 2.97Å; S984-R986 VanDerWaalsContact OG-N 3.14Å | ||
| 985 | D | 78.7 | Confident | 79.8 | Confident | 63 Ų | 63 | 35.7 Ų | 35.7 | 34% | 0.337 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -87.9 | 6.3 | 170.2 | 72.5 | -28.1 | 0 | 0 | 0 | 112.7 | Y937 K975 L979 | Y937-D985 VanDerWaalsContact CE1-O 3.23Å; Y937-D985 WeakPolarHBondContact CE1-O 3.3Å; Y937-D985 PolarHBondContact OH-O 3.27Å; K975-D985 HydrophobicContact CB-CB 4.22Å; L979-D985 HydrophobicContact CB-CB 4.45Å |
| 986 | R | 80.3 | Confident | 79.5 | Confident | 78 Ų | 78 | 39 Ų | 39 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | trans | -109.8 | 154.1 | 178.1 | -63 | -177.1 | 179.3 | -112.6 | 3 | 111.4 | I932 T935 S984 | I932-R986 WeakPolarHBondContact O-CB 3.08Å; I932-R986 WeakPolarHBondContact O-CD 3.28Å; T935-R986 HydrophobicContact CG2-CG 4.27Å; S984-R986 VanDerWaalsContact C-N 3.26Å; S984-R986 PolarHBondContact OG-N 2.97Å; S984-R986 VanDerWaalsContact OG-N 3.14Å | ||
| 987 | I | 79.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -109.8 | 157.7 | 179.9 | 65.1 | 173.7 | 0 | 0 | 0 | 111.2 | G933 N934 N936 Y937 L978 M992 | G933-I987 CarbonylContact C-O 3.13Å; G933-I987 WeakPolarHBondContact CA-O 3.48Å; N934-I987 PolarHBondContact N-O 2.93Å; N934-I987 PolarHBondContact O-N 3.26Å; N934-I987 VanDerWaalsContact OD1-CD1 3.27Å; N934-I987 WeakPolarHBondContact OD1-CD1 3.48Å; N934-I987 WeakPolarHBondContact OD1-CG1 3.26Å; N936-I987 WeakPolarHBondContact O-CD1 3.41Å; Y937-I987 HydrophobicContact CD1-CG2 4.22Å; Y937-I987 HydrophobicContact CE1-CG2 4.4Å; L978-I987 HydrophobicContact CD2-CG2 3.54Å; I987-M992 HydrophobicContact CD1-CG 3.66Å; I987-M992 HydrophobicContact CG2-CE 3.84Å; I987-M992 HydrophobicContact CG2-CG 4.06Å |
| 988 | P | 75.4 | Confident | 79.8 | Confident | 32 Ų | 32 | 36 Ų | 36 | 21% | 0.208 | 19% | 0.19 | C | C | . | . | trans | -58.7 | 152.3 | 173.6 | -16.6 | 26.6 | 0 | 0 | 0 | 112.4 | I801 L990 G991 S994 | I801-P988 HydrophobicContact CD1-CB 3.86Å; I801-P988 HydrophobicContact CD1-CG 3.73Å; P988-L990 PolarHBondContact O-N 3.45Å; P988-G991 WeakPolarHBondContact O-CA 3.39Å; P988-G991 PolarHBondContact O-N 3.35Å; P988-S994 WeakPolarHBondContact CB-OG 3.45Å; P988-S994 WeakPolarHBondContact CG-OG 3.29Å | ||
| 989 | I | 72.1 | Confident | 80.1 | Confident | 24 Ų | 24 | 36 Ų | 36 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.2 | -179.2 | -161.5 | 167.8 | 0 | 0 | 0 | 113.2 | A657 T661 A929 M930 G991 | A657-I989 HydrophobicContact CB-CD1 3.82Å; A657-I989 HydrophobicContact CB-CG1 4.01Å; T661-I989 HydrophobicContact CG2-CG2 3.82Å; T661-I989 WeakPolarHBondContact OG1-CG2 3.38Å; A929-I989 HydrophobicContact CB-CD1 4.1Å; M930-I989 HydrophobicContact CB-CD1 4.35Å; I989-G991 PolarHBondContact O-N 2.86Å |
| 990 | L | 70.1 | Confident | 80.5 | Confident | 64 Ų | 64 | 36.1 Ų | 36.1 | 34% | 0.335 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 3.5 | 173.5 | -62.2 | 174.6 | 0 | 0 | 0 | 113.7 | Q658 T661 P988 | Q658-L990 HydrophobicContact CB-CD2 4.49Å; Q658-L990 HydrophobicContact CG-CD2 3.86Å; T661-L990 HydrophobicContact CG2-CD1 4.5Å; T661-L990 HydrophobicContact CG2-CD2 4.13Å; T661-L990 HydrophobicContact CG2-CG 4.24Å; P988-L990 PolarHBondContact O-N 3.45Å |
| 991 | G | 75.2 | Confident | 80.8 | Confident | 20 Ų | 20 | 36.3 Ų | 36.3 | 21% | 0.206 | 19% | 0.194 | C | C | . | . | trans | 79.8 | -179.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | P988 I989 K993 S994 | P988-G991 WeakPolarHBondContact O-CA 3.39Å; P988-G991 PolarHBondContact O-N 3.35Å; I989-G991 PolarHBondContact O-N 2.86Å; G991-K993 PolarHBondContact O-N 2.9Å; G991-S994 PolarHBondContact O-N 3.1Å; G991-S994 VanDerWaalsContact O-N 3.12Å; G991-S994 PolarHBondContact O-OG 2.79Å | ||
| 992 | M | 81.6 | Confident | 80.7 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -62.5 | -25.4 | -174.3 | -77.9 | -161.5 | 169.3 | 0 | 0 | 114 | Y937 D938 W939 L942 I987 S994 L995 | Y937-M992 HydrophobicContact CD1-CE 3.51Å; Y937-M992 HydrophobicContact CG-CE 4.02Å; D938-M992 PolarHBondContact N-SD 3.01Å; D938-M992 VanDerWaalsContact N-SD 3.45Å; W939-M992 HydrophobicContact CD2-CE 3.85Å; W939-M992 HydrophobicContact CD2-SD 4.3Å; W939-M992 HydrophobicContact CE3-CE 3.42Å; W939-M992 VanDerWaalsContact CE3-CE 3.42Å; W939-M992 HydrophobicContact CE3-SD 3.91Å; W939-M992 HydrophobicContact CH2-CE 3.69Å; W939-M992 HydrophobicContact CZ2-CE 4.07Å; W939-M992 HydrophobicContact CZ3-CE 3.35Å; W939-M992 HydrophobicContact CZ3-SD 4.35Å; L942-M992 HydrophobicContact CB-CB 4.29Å; L942-M992 HydrophobicContact CB-SD 3.74Å; L942-M992 HydrophobicContact CD2-SD 4.35Å; I987-M992 HydrophobicContact CD1-CG 3.66Å; I987-M992 HydrophobicContact CG2-CE 3.84Å; I987-M992 HydrophobicContact CG2-CG 4.06Å; M992-S994 PolarHBondContact O-N 3.47Å; M992-L995 WeakPolarHBondContact O-CA 3.25Å; M992-L995 WeakPolarHBondContact O-CB 3.34Å; M992-L995 PolarHBondContact O-N 3.18Å |
| 993 | K | 79.1 | Confident | 80.2 | Confident | 142 Ų | 142 | 42.9 Ų | 42.9 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -56.1 | -33.4 | 174.5 | -174.8 | 176.5 | -178.6 | 174.9 | 0 | 113.4 | E941 G991 L995 | E941-K993 HydrophobicContact CG-CB 3.83Å; G991-K993 PolarHBondContact O-N 2.9Å; K993-L995 VanDerWaalsContact C-N 3.26Å |
| 994 | S | 76.3 | Confident | 79.8 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -76 | -17.6 | 178.6 | 68 | 0 | 0 | 0 | 0 | 113 | P988 G991 M992 K996 | P988-S994 WeakPolarHBondContact CB-OG 3.45Å; P988-S994 WeakPolarHBondContact CG-OG 3.29Å; G991-S994 PolarHBondContact O-N 3.1Å; G991-S994 VanDerWaalsContact O-N 3.12Å; G991-S994 PolarHBondContact O-OG 2.79Å; M992-S994 PolarHBondContact O-N 3.47Å; S994-K996 PolarHBondContact O-N 3.49Å |
| 995 | L | 80.4 | Confident | 79.6 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | trans | -83.8 | 97.6 | 175.9 | -158.3 | 121.3 | 0 | 0 | 0 | 109.3 | L942 S945 L978 L981 T982 M992 K993 L997 | L942-L995 HydrophobicContact CD1-CB 4.38Å; L942-L995 HydrophobicContact CD1-CD2 3.54Å; S945-L995 PolarHBondContact OG-O 2.82Å; L978-L995 HydrophobicContact CD1-CD1 4.26Å; L978-L995 HydrophobicContact CD1-CD2 4.14Å; L981-L995 HydrophobicContact CD2-CD2 4.18Å; T982-L995 HydrophobicContact CG2-CD1 3.81Å; T982-L995 HydrophobicContact CG2-CD2 4.01Å; T982-L995 HydrophobicContact CG2-CG 4.36Å; M992-L995 WeakPolarHBondContact O-CA 3.25Å; M992-L995 WeakPolarHBondContact O-CB 3.34Å; M992-L995 PolarHBondContact O-N 3.18Å; K993-L995 VanDerWaalsContact C-N 3.26Å; L995-L997 PolarHBondContact O-N 2.88Å; L995-L997 VanDerWaalsContact O-N 3.1Å | ||
| 996 | K | 81.2 | Confident | 79.7 | Confident | 120 Ų | 120 | 44 Ų | 44 | 52% | 0.522 | 27% | 0.266 | S | S | . | . | trans | -80 | 87.8 | 175.7 | -64.4 | -169.3 | 171.5 | -152.8 | 0 | 110.3 | E947 S994 N1017 | E947-K996 IonicContact OE1-NZ 3.65Å; E947-K996 PolarHBondContact OE1-NZ 3.01Å; S994-K996 PolarHBondContact O-N 3.49Å; K996-N1017 WeakPolarHBondContact O-CB 3.44Å | ||
| 997 | L | 88.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -69.1 | 130.6 | 167.6 | 166.8 | 57.9 | 0 | 0 | 0 | 108.6 | L942 T946 E947 W963 L981 L995 I999 L1019 | L942-L997 HydrophobicContact CD1-CB 4.22Å; T946-L997 CarbonylContact C-O 3.58Å; T946-L997 WeakPolarHBondContact CA-O 3.39Å; T946-L997 HydrophobicContact CG2-CB 4.36Å; T946-L997 HydrophobicContact CG2-CD2 4.12Å; T946-L997 HydrophobicContact CG2-CG 3.88Å; E947-L997 PolarHBondContact N-O 2.91Å; W963-L997 HydrophobicContact CH2-CD2 3.99Å; W963-L997 HydrophobicContact CZ2-CD2 4.09Å; L981-L997 HydrophobicContact CD1-CD1 3.48Å; L981-L997 VanDerWaalsContact CD1-CD1 3.48Å; L981-L997 HydrophobicContact CD2-CB 4.26Å; L981-L997 HydrophobicContact CD2-CD1 3.58Å; L981-L997 HydrophobicContact CD2-CD2 4.29Å; L981-L997 HydrophobicContact CD2-CG 4.23Å; L981-L997 HydrophobicContact CG-CD1 4.14Å; L995-L997 PolarHBondContact O-N 2.88Å; L995-L997 VanDerWaalsContact O-N 3.1Å; L997-I999 HydrophobicContact CD1-CG1 4.02Å; L997-I999 HydrophobicContact CD2-CD1 4.2Å; L997-I999 HydrophobicContact CD2-CG1 4.3Å; L997-I999 HydrophobicContact CG-CD1 4.47Å; L997-I999 HydrophobicContact CG-CG1 4.03Å; L997-L1019 HydrophobicContact CD1-CB 4.16Å | ||
| 998 | V | 90.8 | Very high | 79.7 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.1 | 172.5 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | E947 K949 N1017 L1018 L1019 | E947-V998 HydrophobicContact CB-CG2 4.33Å; E947-V998 CarbonylContact O-C 3.52Å; E947-V998 VanDerWaalsContact O-CA 3.23Å; E947-V998 WeakPolarHBondContact O-CA 3.29Å; K949-V998 HydrophobicContact CB-CG1 4.49Å; K949-V998 HydrophobicContact CD-CG1 3.64Å; K949-V998 HydrophobicContact CG-CG1 3.78Å; V998-N1017 PolarHBondContact N-O 2.96Å; V998-L1018 HydrophobicContact CB-CD1 3.65Å; V998-L1018 HydrophobicContact CG1-CD1 3.47Å; V998-L1018 VanDerWaalsContact CG1-CD1 3.47Å; V998-L1018 CarbonylContact O-C 3.59Å; V998-L1018 WeakPolarHBondContact O-CA 3.3Å; V998-L1019 PolarHBondContact O-N 2.88Å |
| 999 | I | 93.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.7 | 175.3 | -52.6 | -176.9 | 0 | 0 | 0 | 109.7 | T946 E947 Y948 K949 Y952 I959 F962 L997 L1019 L1021 | T946-I999 HydrophobicContact CG2-CD1 3.94Å; T946-I999 HydrophobicContact CG2-CG1 3.89Å; E947-I999 PolarHBondContact O-N 3.04Å; Y948-I999 WeakPolarHBondContact CA-O 3.49Å; Y948-I999 HydrophobicContact CD1-CB 4.06Å; Y948-I999 HydrophobicContact CE1-CB 4.34Å; Y948-I999 HydrophobicContact CE1-CD1 4.08Å; Y948-I999 HydrophobicContact CE1-CG1 4.48Å; K949-I999 PolarHBondContact N-O 3.33Å; Y952-I999 HydrophobicContact CD2-CG2 3.96Å; Y952-I999 HydrophobicContact CE2-CG2 4.23Å; I959-I999 HydrophobicContact CD1-CB 4.42Å; I959-I999 HydrophobicContact CD1-CD1 4.44Å; I959-I999 HydrophobicContact CD1-CG2 3.82Å; F962-I999 HydrophobicContact CD1-CD1 4.03Å; F962-I999 HydrophobicContact CE1-CD1 3.8Å; F962-I999 HydrophobicContact CZ-CD1 4.36Å; L997-I999 HydrophobicContact CD1-CG1 4.02Å; L997-I999 HydrophobicContact CD2-CD1 4.2Å; L997-I999 HydrophobicContact CD2-CG1 4.3Å; L997-I999 HydrophobicContact CG-CD1 4.47Å; L997-I999 HydrophobicContact CG-CG1 4.03Å; I999-L1019 WeakPolarHBondContact CA-O 3.37Å; I999-L1019 HydrophobicContact CD1-CD2 4.45Å; I999-L1019 HydrophobicContact CG1-CB 4.36Å; I999-L1019 HydrophobicContact CG1-CD2 4.47Å; I999-L1021 HydrophobicContact CG2-CB 3.8Å; I999-L1021 HydrophobicContact CG2-CD2 4.07Å |
| 1000 | Q | 92.6 | Very high | 81 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.3 | 177.8 | 74.6 | 177.5 | 13.6 | 0 | 0 | 112.4 | K949 L1018 L1019 D1020 L1021 | K949-Q1000 HydrophobicContact CB-CB 4.05Å; Q1000-L1018 HydrophobicContact CB-CD1 4.27Å; Q1000-L1018 HydrophobicContact CG-CD1 3.85Å; Q1000-L1018 HydrophobicContact CG-CG 4.35Å; Q1000-L1019 PolarHBondContact N-O 3.28Å; Q1000-D1020 VanDerWaalsContact CD-OD1 3.23Å; Q1000-D1020 WeakPolarHBondContact CG-OD1 3.17Å; Q1000-D1020 PolarHBondContact NE2-OD1 3.31Å; Q1000-L1021 PolarHBondContact O-N 2.94Å |
| 1001 | P | 89.7 | Confident | 81.8 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 21% | 0.214 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 144.8 | -179.9 | 30.2 | -34.7 | 0 | 0 | 0 | 112.5 | K949 E951 Y952 | K949-P1001 WeakPolarHBondContact O-CD 3.44Å; E951-P1001 HydrophobicContact CB-CG 4.27Å; Y952-P1001 HydrophobicContact CD2-CB 4.06Å; Y952-P1001 HydrophobicContact CD2-CG 4.36Å; Y952-P1001 HydrophobicContact CE1-CB 4.18Å; Y952-P1001 HydrophobicContact CE2-CB 3.66Å; Y952-P1001 HydrophobicContact CE2-CG 4.45Å; Y952-P1001 HydrophobicContact CG-CB 4.48Å |
| 1002 | T | 84.5 | Confident | 82.3 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 32% | 0.319 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138 | 174 | 1.4 | 0 | 0 | 0 | 0 | 111.9 | G1004 D1020 | T1002-G1004 VanDerWaalsContact C-N 3.27Å; T1002-G1004 PolarHBondContact O-N 3.47Å; T1002-D1020 HydrophobicContact CG2-CB 3.91Å |
| 1003 | G | 66 | Low | 82.4 | Confident | 92 Ų | 92 | 58.7 Ų | 58.7 | 95% | 0.948 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 13.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 1004 | G | 63.9 | Low | 82.2 | Confident | 36 Ų | 36 | 54 Ų | 54 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -15.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | T1002 Y1008 | T1002-G1004 VanDerWaalsContact C-N 3.27Å; T1002-G1004 PolarHBondContact O-N 3.47Å; G1004-Y1008 WeakPolarHBondContact O-CD2 3.18Å; G1004-Y1008 WeakPolarHBondContact O-CE2 3.49Å |
| 1005 | G | 71.6 | Confident | 81.8 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 38% | 0.381 | 31% | 0.306 | S | S | . | . | trans | 83.7 | 175.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1007 Y1008 | G1005-H1007 PolarHBondContact O-N 2.93Å; G1005-H1007 VanDerWaalsContact O-N 3.14Å; G1005-Y1008 PolarHBondContact O-N 2.79Å | ||
| 1006 | E | 80 | Confident | 81.6 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9 | -164.9 | -60.8 | -171.2 | 168.1 | 0 | 0 | 115.9 | K1023 Y1024 S1025 | E1006-K1023 VanDerWaalsContact CG-O 3.31Å; E1006-K1023 WeakPolarHBondContact CG-O 3.32Å; E1006-Y1024 HydrophobicContact CB-CD1 4.24Å; E1006-Y1024 WeakPolarHBondContact O-CE1 3.48Å; E1006-S1025 VanDerWaalsContact CD-OG 3.28Å; E1006-S1025 WeakPolarHBondContact OE1-CB 3.48Å; E1006-S1025 PolarHBondContact OE1-N 3.41Å; E1006-S1025 PolarHBondContact OE1-OG 2.85Å; E1006-S1025 PolarHBondContact OE2-OG 2.86Å |
| 1007 | H | 78.7 | Confident | 81.8 | Confident | 160 Ų | 160 | 53.9 Ų | 53.9 | 74% | 0.741 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -21.6 | -177.6 | -55.8 | -45.1 | 0 | 0 | 0 | 113.2 | G1005 K1033 | G1005-H1007 PolarHBondContact O-N 2.93Å; G1005-H1007 VanDerWaalsContact O-N 3.14Å; H1007-K1033 PolarHBondContact O-NZ 3.05Å |
| 1008 | Y | 82.8 | Confident | 81.7 | Confident | 147 Ų | 147 | 54.9 Ų | 54.9 | 58% | 0.576 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -73.4 | 151.7 | -179 | -72.7 | -92.8 | 0 | 0 | 0 | 111.5 | G1004 G1005 Y1024 | G1004-Y1008 WeakPolarHBondContact O-CD2 3.18Å; G1004-Y1008 WeakPolarHBondContact O-CE2 3.49Å; G1005-Y1008 PolarHBondContact O-N 2.79Å; Y1008-Y1024 PolarHBondContact O-OH 3.44Å |
| 1009 | L | 86 | Confident | 81.7 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 152.6 | 172.9 | -67.9 | 169.7 | 0 | 0 | 0 | 110.1 | K1033 H1036 | L1009-K1033 HydrophobicContact CD2-CB 4.24Å; L1009-K1033 HydrophobicContact CD2-CD 3.69Å; L1009-K1033 WeakPolarHBondContact CD2-O 3.47Å; L1009-H1036 HydrophobicContact CD2-CB 4.07Å |
| 1010 | P | 88.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 140.4 | 164 | -17.5 | 31.7 | 0 | 0 | 0 | 110 | F980 L1019 D1020 L1021 Y1024 L1034 A1037 | F980-P1010 WeakPolarHBondContact CZ-O 3.26Å; P1010-L1019 HydrophobicContact CB-CD1 4.09Å; P1010-D1020 WeakPolarHBondContact CA-O 3.28Å; P1010-L1021 HydrophobicContact CB-CD1 4.24Å; P1010-L1021 HydrophobicContact CG-CD1 4.14Å; P1010-Y1024 VanDerWaalsContact CD-OH 3.25Å; P1010-Y1024 WeakPolarHBondContact CD-OH 3.31Å; P1010-Y1024 HydrophobicContact CG-CE2 4.37Å; P1010-L1034 HydrophobicContact CG-CD1 4.36Å; P1010-A1037 HydrophobicContact CG-CB 4.5Å |
| 1011 | V | 87.3 | Confident | 81.5 | Confident | 75 Ų | 75 | 52.4 Ų | 52.4 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133 | 178.8 | -180 | 0 | 0 | 0 | 0 | 108.9 | D1020 | V1011-D1020 HydrophobicContact CB-CB 4.24Å; V1011-D1020 PolarHBondContact N-O 3.46Å; V1011-D1020 WeakPolarHBondContact O-CB 3.31Å; V1011-D1020 PolarHBondContact O-N 3.39Å |
| 1012 | A | 85.1 | Confident | 81.5 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F980 L1018 L1019 | F980-A1012 HydrophobicContact CD1-CB 3.9Å; F980-A1012 HydrophobicContact CD2-CB 4.47Å; F980-A1012 HydrophobicContact CE1-CB 3.59Å; F980-A1012 HydrophobicContact CE2-CB 4.19Å; F980-A1012 HydrophobicContact CG-CB 4.33Å; F980-A1012 HydrophobicContact CZ-CB 3.74Å; F980-A1012 WeakPolarHBondContact O-CB 3.34Å; A1012-L1018 CarbonylContact C-O 3.53Å; A1012-L1018 WeakPolarHBondContact CA-O 3.38Å; A1012-L1019 HydrophobicContact CB-CD1 4.47Å |
| 1013 | H | 82.8 | Confident | 81.7 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 90.9 | 168.1 | -56.3 | -88.8 | 0 | 0 | 0 | 108.3 | C1015 F1016 N1017 L1018 D1020 | H1013-C1015 PolarHBondContact O-N 3.02Å; H1013-C1015 VanDerWaalsContact O-N 3.12Å; H1013-F1016 PolarHBondContact O-N 3.38Å; H1013-N1017 PolarHBondContact O-N 3.49Å; H1013-N1017 VanDerWaalsContact O-N 3.11Å; H1013-L1018 HydrophobicContact CB-CB 4.22Å; H1013-L1018 PolarHBondContact N-O 2.77Å; H1013-L1018 PolarHBondContact O-N 2.86Å; H1013-D1020 IonicContact CD2-OD2 3.43Å; H1013-D1020 IonicContact CE1-OD2 2.73Å; H1013-D1020 IonicContact NE2-OD2 2.7Å; H1013-D1020 PolarHBondContact NE2-OD2 3.01Å |
| 1014 | T | 75.7 | Confident | 82.8 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.9 | -171.6 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | K745 F980 L981 F1016 N1017 | K745-T1014 PolarHBondContact NZ-O 2.94Å; F980-T1014 WeakPolarHBondContact O-CG2 3.43Å; L981-T1014 VanDerWaalsContact O-CA 3.29Å; L981-T1014 WeakPolarHBondContact O-CA 3.42Å; T1014-F1016 VanDerWaalsContact C-N 3.26Å; T1014-F1016 PolarHBondContact O-N 2.83Å; T1014-N1017 PolarHBondContact O-OD1 3.01Å |
| 1015 | C | 68.5 | Low | 83.7 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 14% | 0.142 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -27.3 | 176.6 | -51.2 | 0 | 0 | 0 | 0 | 113 | G742 E746 H1013 | G742-C1015 WeakPolarHBondContact CA-O 3.05Å; E746-C1015 VanDerWaalsContact CB-SG 3.57Å; E746-C1015 PolarHBondContact OE2-SG 3.36Å; E746-C1015 VanDerWaalsContact OE2-SG 3.36Å; H1013-C1015 PolarHBondContact O-N 3.02Å; H1013-C1015 VanDerWaalsContact O-N 3.12Å |
| 1016 | F | 74.7 | Confident | 84.5 | Confident | 125 Ų | 125 | 50.4 Ų | 50.4 | 55% | 0.548 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 2.7 | -176.5 | -63 | -76.6 | 0 | 0 | 0 | 113.4 | H1013 T1014 L1018 | H1013-F1016 PolarHBondContact O-N 3.38Å; T1014-F1016 VanDerWaalsContact C-N 3.26Å; T1014-F1016 PolarHBondContact O-N 2.83Å; F1016-L1018 HydrophobicContact CB-CB 4.03Å; F1016-L1018 PolarHBondContact O-N 3.42Å |
| 1017 | N | 85 | Confident | 85 | Confident | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 40.5 | -170 | -50.1 | -33.3 | 0 | 0 | 0 | 111.1 | K745 K996 V998 H1013 T1014 | K745-N1017 PolarHBondContact NZ-OD1 2.79Å; K996-N1017 WeakPolarHBondContact O-CB 3.44Å; V998-N1017 PolarHBondContact N-O 2.96Å; H1013-N1017 PolarHBondContact O-N 3.49Å; H1013-N1017 VanDerWaalsContact O-N 3.11Å; T1014-N1017 PolarHBondContact O-OD1 3.01Å |
| 1018 | L | 87.2 | Confident | 85.4 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.5 | -174.1 | 175.2 | 72.3 | 0 | 0 | 0 | 109.3 | V998 Q1000 A1012 H1013 F1016 | V998-L1018 HydrophobicContact CB-CD1 3.65Å; V998-L1018 HydrophobicContact CG1-CD1 3.47Å; V998-L1018 VanDerWaalsContact CG1-CD1 3.47Å; V998-L1018 CarbonylContact O-C 3.59Å; V998-L1018 WeakPolarHBondContact O-CA 3.3Å; Q1000-L1018 HydrophobicContact CB-CD1 4.27Å; Q1000-L1018 HydrophobicContact CG-CD1 3.85Å; Q1000-L1018 HydrophobicContact CG-CG 4.35Å; A1012-L1018 CarbonylContact C-O 3.53Å; A1012-L1018 WeakPolarHBondContact CA-O 3.38Å; H1013-L1018 HydrophobicContact CB-CB 4.22Å; H1013-L1018 PolarHBondContact N-O 2.77Å; H1013-L1018 PolarHBondContact O-N 2.86Å; F1016-L1018 HydrophobicContact CB-CB 4.03Å; F1016-L1018 PolarHBondContact O-N 3.42Å |
| 1019 | L | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 113.6 | 175.8 | -176.1 | 69.1 | 0 | 0 | 0 | 109.8 | F962 F977 F980 L981 L997 V998 I999 Q1000 P1010 A1012 L1021 | F962-L1019 HydrophobicContact CE2-CD2 3.81Å; F962-L1019 HydrophobicContact CZ-CD2 4.02Å; F977-L1019 HydrophobicContact CE2-CD2 4.2Å; F977-L1019 HydrophobicContact CZ-CD2 4.23Å; F980-L1019 HydrophobicContact CE1-CD1 3.83Å; L981-L1019 HydrophobicContact CD1-CB 4.26Å; L997-L1019 HydrophobicContact CD1-CB 4.16Å; V998-L1019 PolarHBondContact O-N 2.88Å; I999-L1019 WeakPolarHBondContact CA-O 3.37Å; I999-L1019 HydrophobicContact CD1-CD2 4.45Å; I999-L1019 HydrophobicContact CG1-CB 4.36Å; I999-L1019 HydrophobicContact CG1-CD2 4.47Å; Q1000-L1019 PolarHBondContact N-O 3.28Å; P1010-L1019 HydrophobicContact CB-CD1 4.09Å; A1012-L1019 HydrophobicContact CB-CD1 4.47Å; L1019-L1021 HydrophobicContact CD2-CD1 4.44Å; L1019-L1021 HydrophobicContact CG-CB 4.46Å; L1019-L1021 PolarHBondContact O-N 3.31Å |
| 1020 | D | 89.9 | Confident | 85.9 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 10% | 0.096 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 102.8 | 166.9 | -70.7 | -17.1 | 0 | 0 | 0 | 108.3 | Q1000 T1002 P1010 V1011 H1013 | Q1000-D1020 VanDerWaalsContact CD-OD1 3.23Å; Q1000-D1020 WeakPolarHBondContact CG-OD1 3.17Å; Q1000-D1020 PolarHBondContact NE2-OD1 3.31Å; T1002-D1020 HydrophobicContact CG2-CB 3.91Å; P1010-D1020 WeakPolarHBondContact CA-O 3.28Å; V1011-D1020 HydrophobicContact CB-CB 4.24Å; V1011-D1020 PolarHBondContact N-O 3.46Å; V1011-D1020 WeakPolarHBondContact O-CB 3.31Å; V1011-D1020 PolarHBondContact O-N 3.39Å; H1013-D1020 IonicContact CD2-OD2 3.43Å; H1013-D1020 IonicContact CE1-OD2 2.73Å; H1013-D1020 IonicContact NE2-OD2 2.7Å; H1013-D1020 PolarHBondContact NE2-OD2 3.01Å |
| 1021 | L | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.8 | -176.9 | -173.4 | 71.9 | 0 | 0 | 0 | 109.9 | Y952 T958 I959 F962 I999 Q1000 P1010 L1019 Y1024 | Y952-L1021 HydrophobicContact CE2-CB 4.02Å; Y952-L1021 HydrophobicContact CE2-CD2 4.47Å; Y952-L1021 VanDerWaalsContact CE2-O 3.28Å; Y952-L1021 WeakPolarHBondContact CE2-O 3.48Å; Y952-L1021 PolarHBondContact OH-O 3.15Å; T958-L1021 HydrophobicContact CG2-CD2 4.12Å; I959-L1021 HydrophobicContact CD1-CD2 4.11Å; F962-L1021 HydrophobicContact CB-CD2 4.05Å; F962-L1021 HydrophobicContact CD2-CD1 4.28Å; F962-L1021 HydrophobicContact CD2-CD2 4.19Å; F962-L1021 HydrophobicContact CG-CD2 4.2Å; I999-L1021 HydrophobicContact CG2-CB 3.8Å; I999-L1021 HydrophobicContact CG2-CD2 4.07Å; Q1000-L1021 PolarHBondContact O-N 2.94Å; P1010-L1021 HydrophobicContact CB-CD1 4.24Å; P1010-L1021 HydrophobicContact CG-CD1 4.14Å; L1019-L1021 HydrophobicContact CD2-CD1 4.44Å; L1019-L1021 HydrophobicContact CG-CB 4.46Å; L1019-L1021 PolarHBondContact O-N 3.31Å; L1021-Y1024 HydrophobicContact CD1-CD2 4.38Å; L1021-Y1024 HydrophobicContact CD1-CE2 3.89Å; L1021-Y1024 HydrophobicContact CG-CE2 4.46Å |
| 1022 | P | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 152.3 | 171.4 | -24.9 | 34.6 | 0 | 0 | 0 | 112.2 | Y952 Y1024 | Y952-P1022 VanDerWaalsContact OH-C 3.32Å; Y952-P1022 PolarHBondContact OH-O 3.41Å; P1022-Y1024 HydrophobicContact CB-CE1 4.13Å; P1022-Y1024 HydrophobicContact CB-CE2 4.05Å; P1022-Y1024 HydrophobicContact CG-CE2 4.3Å; P1022-Y1024 WeakPolarHBondContact CG-OH 3.46Å; P1022-Y1024 WeakPolarHBondContact O-CD2 3.34Å; P1022-Y1024 WeakPolarHBondContact O-CE2 3.23Å; P1022-Y1024 PolarHBondContact O-N 3.11Å |
| 1023 | K | 88.8 | Confident | 86.3 | Confident | 82 Ų | 82 | 48.3 Ų | 48.3 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | trans | -76.5 | 88.4 | 178.5 | -70.2 | -177.8 | -176.2 | 173.7 | 0 | 110.9 | E951 Y952 E1006 | E951-K1023 VanDerWaalsContact CD-NZ 3.34Å; E951-K1023 IonicContact OE1-NZ 3.62Å; E951-K1023 IonicContact OE2-NZ 2.57Å; E951-K1023 PolarHBondContact OE2-NZ 3.15Å; Y952-K1023 HydrophobicContact CE1-CG 4Å; Y952-K1023 WeakPolarHBondContact OH-CA 3.19Å; Y952-K1023 WeakPolarHBondContact OH-CG 3.25Å; Y952-K1023 PolarHBondContact OH-N 3.37Å; E1006-K1023 VanDerWaalsContact CG-O 3.31Å; E1006-K1023 WeakPolarHBondContact CG-O 3.32Å | ||
| 1024 | Y | 88.1 | Confident | 86.6 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | trans | -80.4 | 139.5 | 174.5 | -54.9 | -72.9 | 0 | 0 | 0 | 111.9 | T958 E1006 Y1008 P1010 L1021 P1022 T1029 L1030 K1033 | T958-Y1024 HydrophobicContact CG2-CD2 4.44Å; T958-Y1024 PolarHBondContact OG1-O 3.11Å; E1006-Y1024 HydrophobicContact CB-CD1 4.24Å; E1006-Y1024 WeakPolarHBondContact O-CE1 3.48Å; Y1008-Y1024 PolarHBondContact O-OH 3.44Å; P1010-Y1024 VanDerWaalsContact CD-OH 3.25Å; P1010-Y1024 WeakPolarHBondContact CD-OH 3.31Å; P1010-Y1024 HydrophobicContact CG-CE2 4.37Å; L1021-Y1024 HydrophobicContact CD1-CD2 4.38Å; L1021-Y1024 HydrophobicContact CD1-CE2 3.89Å; L1021-Y1024 HydrophobicContact CG-CE2 4.46Å; P1022-Y1024 HydrophobicContact CB-CE1 4.13Å; P1022-Y1024 HydrophobicContact CB-CE2 4.05Å; P1022-Y1024 HydrophobicContact CG-CE2 4.3Å; P1022-Y1024 WeakPolarHBondContact CG-OH 3.46Å; P1022-Y1024 WeakPolarHBondContact O-CD2 3.34Å; P1022-Y1024 WeakPolarHBondContact O-CE2 3.23Å; P1022-Y1024 PolarHBondContact O-N 3.11Å; Y1024-T1029 HydrophobicContact CD1-CG2 4.01Å; Y1024-T1029 HydrophobicContact CE1-CG2 4.46Å; Y1024-L1030 HydrophobicContact CD2-CB 4.03Å; Y1024-L1030 HydrophobicContact CD2-CD1 3.91Å; Y1024-L1030 HydrophobicContact CD2-CG 3.82Å; Y1024-L1030 HydrophobicContact CE2-CG 4.38Å; Y1024-L1030 HydrophobicContact CG-CB 4.13Å; Y1024-L1030 HydrophobicContact CG-CG 4.42Å; Y1024-K1033 HydrophobicContact CE1-CB 4.12Å; Y1024-K1033 HydrophobicContact CE1-CG 3.97Å | ||
| 1025 | S | 83.8 | Confident | 87.3 | Confident | 91 Ų | 91 | 44.9 Ų | 44.9 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -95.1 | -20.6 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | E1006 | E1006-S1025 VanDerWaalsContact CD-OG 3.28Å; E1006-S1025 WeakPolarHBondContact OE1-CB 3.48Å; E1006-S1025 PolarHBondContact OE1-N 3.41Å; E1006-S1025 PolarHBondContact OE1-OG 2.85Å; E1006-S1025 PolarHBondContact OE2-OG 2.86Å |
| 1026 | S | 88.3 | Confident | 88.2 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 22% | 0.217 | 24% | 0.238 | C | C | . | . | trans | -119.1 | 142.7 | 179.3 | 144.8 | 0 | 0 | 0 | 0 | 112 | E1028 T1029 L1030 | S1026-E1028 VanDerWaalsContact C-N 3.33Å; S1026-E1028 PolarHBondContact OG-N 3.47Å; S1026-E1028 VanDerWaalsContact OG-N 3.14Å; S1026-E1028 PolarHBondContact OG-OE2 2.89Å; S1026-T1029 PolarHBondContact O-N 3.09Å; S1026-T1029 PolarHBondContact OG-N 3.49Å; S1026-T1029 PolarHBondContact OG-OG1 3.37Å; S1026-L1030 PolarHBondContact O-N 2.88Å; S1026-L1030 VanDerWaalsContact O-N 3.13Å | ||
| 1027 | I | 89.5 | Confident | 88.7 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -36.1 | 176.4 | -162.6 | 171.3 | 0 | 0 | 0 | 111.7 | L961 E964 V965 L1030 R1031 | L961-I1027 HydrophobicContact CD2-CB 3.97Å; L961-I1027 HydrophobicContact CD2-CD1 4.34Å; L961-I1027 HydrophobicContact CD2-CG1 4.19Å; E964-I1027 HydrophobicContact CG-CD1 3.98Å; V965-I1027 HydrophobicContact CG2-CD1 4Å; V965-I1027 HydrophobicContact CG2-CG1 3.37Å; I1027-L1030 PolarHBondContact O-N 2.95Å; I1027-R1031 WeakPolarHBondContact O-CB 2.97Å; I1027-R1031 PolarHBondContact O-N 2.88Å |
| 1028 | E | 88.2 | Confident | 88.9 | Confident | 121 Ų | 121 | 41.4 Ų | 41.4 | 57% | 0.565 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -65.6 | -45.2 | 178 | -61.1 | 76.9 | -165 | 0 | 0 | 111.1 | S1026 R1031 E1032 | S1026-E1028 VanDerWaalsContact C-N 3.33Å; S1026-E1028 PolarHBondContact OG-N 3.47Å; S1026-E1028 VanDerWaalsContact OG-N 3.14Å; S1026-E1028 PolarHBondContact OG-OE2 2.89Å; E1028-R1031 PolarHBondContact O-N 3.15Å; E1028-E1032 WeakPolarHBondContact O-CB 3.43Å; E1028-E1032 PolarHBondContact O-N 2.85Å |
| 1029 | T | 87.1 | Confident | 88.7 | Confident | 41 Ų | 41 | 44 Ų | 44 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 177.7 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | Y1024 S1026 K1033 | Y1024-T1029 HydrophobicContact CD1-CG2 4.01Å; Y1024-T1029 HydrophobicContact CE1-CG2 4.46Å; S1026-T1029 PolarHBondContact O-N 3.09Å; S1026-T1029 PolarHBondContact OG-N 3.49Å; S1026-T1029 PolarHBondContact OG-OG1 3.37Å; T1029-K1033 HydrophobicContact CG2-CG 4.28Å; T1029-K1033 VanDerWaalsContact O-CB 3.31Å; T1029-K1033 WeakPolarHBondContact O-CB 3.46Å; T1029-K1033 WeakPolarHBondContact O-CG 3.41Å; T1029-K1033 PolarHBondContact O-N 3.1Å |
| 1030 | L | 90.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 175.8 | -170.4 | 154.6 | 0 | 0 | 0 | 110.9 | T958 L961 F962 V965 Y1024 S1026 I1027 K1033 L1034 | T958-L1030 HydrophobicContact CG2-CD1 4.34Å; L961-L1030 HydrophobicContact CB-CD1 4.01Å; F962-L1030 HydrophobicContact CB-CD1 4.05Å; F962-L1030 HydrophobicContact CD2-CD2 4.47Å; V965-L1030 HydrophobicContact CB-CD2 3.85Å; V965-L1030 HydrophobicContact CG1-CD2 3.94Å; V965-L1030 HydrophobicContact CG2-CD2 3.92Å; Y1024-L1030 HydrophobicContact CD2-CB 4.03Å; Y1024-L1030 HydrophobicContact CD2-CD1 3.91Å; Y1024-L1030 HydrophobicContact CD2-CG 3.82Å; Y1024-L1030 HydrophobicContact CE2-CG 4.38Å; Y1024-L1030 HydrophobicContact CG-CB 4.13Å; Y1024-L1030 HydrophobicContact CG-CG 4.42Å; S1026-L1030 PolarHBondContact O-N 2.88Å; S1026-L1030 VanDerWaalsContact O-N 3.13Å; I1027-L1030 PolarHBondContact O-N 2.95Å; L1030-K1033 PolarHBondContact O-N 3.19Å; L1030-L1034 HydrophobicContact CD2-CB 4.41Å; L1030-L1034 HydrophobicContact CD2-CD2 4.21Å; L1030-L1034 WeakPolarHBondContact O-CB 3.08Å; L1030-L1034 PolarHBondContact O-N 2.69Å |
| 1031 | R | 91.5 | Very high | 86.6 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 179.7 | -174.9 | -175.6 | -69.8 | 152.9 | -0.7 | 111.7 | V965 E968 I1027 E1028 L1035 | V965-R1031 HydrophobicContact CG1-CB 3.85Å; V965-R1031 HydrophobicContact CG1-CG 3.94Å; V965-R1031 HydrophobicContact CG2-CB 4.12Å; E968-R1031 IonicContact OE2-CZ 3.63Å; E968-R1031 IonicContact OE2-NH2 2.59Å; E968-R1031 PolarHBondContact OE2-NH2 2.92Å; I1027-R1031 WeakPolarHBondContact O-CB 2.97Å; I1027-R1031 PolarHBondContact O-N 2.88Å; E1028-R1031 PolarHBondContact O-N 3.15Å; R1031-L1035 HydrophobicContact CG-CD1 3.95Å; R1031-L1035 HydrophobicContact CG-CG 4.42Å; R1031-L1035 VanDerWaalsContact O-CB 3.29Å; R1031-L1035 WeakPolarHBondContact O-CB 3.45Å; R1031-L1035 VanDerWaalsContact O-CG 3.23Å; R1031-L1035 WeakPolarHBondContact O-CG 3.19Å; R1031-L1035 PolarHBondContact O-N 3.42Å |
| 1032 | E | 90.4 | Very high | 84.5 | Confident | 135 Ų | 135 | 59.3 Ų | 59.3 | 63% | 0.631 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.6 | -48.5 | 179.1 | -171.8 | -172.2 | 158.1 | 0 | 0 | 111.3 | E1028 L1035 H1036 | E1028-E1032 WeakPolarHBondContact O-CB 3.43Å; E1028-E1032 PolarHBondContact O-N 2.85Å; E1032-L1035 PolarHBondContact O-N 3.22Å; E1032-H1036 VanDerWaalsContact O-CB 3.28Å; E1032-H1036 WeakPolarHBondContact O-CB 3.44Å; E1032-H1036 PolarHBondContact O-N 3.35Å |
| 1033 | K | 89.1 | Confident | 81.9 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 22% | 0.222 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.7 | -38.4 | -178 | -66.6 | -74 | 176.7 | 175.5 | 0 | 112.5 | H1007 L1009 Y1024 T1029 L1030 A1037 | H1007-K1033 PolarHBondContact O-NZ 3.05Å; L1009-K1033 HydrophobicContact CD2-CB 4.24Å; L1009-K1033 HydrophobicContact CD2-CD 3.69Å; L1009-K1033 WeakPolarHBondContact CD2-O 3.47Å; Y1024-K1033 HydrophobicContact CE1-CB 4.12Å; Y1024-K1033 HydrophobicContact CE1-CG 3.97Å; T1029-K1033 HydrophobicContact CG2-CG 4.28Å; T1029-K1033 VanDerWaalsContact O-CB 3.31Å; T1029-K1033 WeakPolarHBondContact O-CB 3.46Å; T1029-K1033 WeakPolarHBondContact O-CG 3.41Å; T1029-K1033 PolarHBondContact O-N 3.1Å; L1030-K1033 PolarHBondContact O-N 3.19Å; K1033-A1037 WeakPolarHBondContact O-CB 3.05Å; K1033-A1037 PolarHBondContact O-N 2.87Å |
| 1034 | L | 88.9 | Confident | 79.1 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 176 | -176.7 | 63.6 | 0 | 0 | 0 | 111.2 | F962 V965 F977 P1010 L1030 H1036 A1037 I1038 | F962-L1034 HydrophobicContact CD2-CD2 4.25Å; F962-L1034 HydrophobicContact CE2-CD1 4.25Å; F962-L1034 HydrophobicContact CE2-CD2 4.03Å; V965-L1034 HydrophobicContact CG1-CD2 4.14Å; F977-L1034 HydrophobicContact CD2-CD1 4.11Å; F977-L1034 HydrophobicContact CE2-CD1 4.12Å; P1010-L1034 HydrophobicContact CG-CD1 4.36Å; L1030-L1034 HydrophobicContact CD2-CB 4.41Å; L1030-L1034 HydrophobicContact CD2-CD2 4.21Å; L1030-L1034 WeakPolarHBondContact O-CB 3.08Å; L1030-L1034 PolarHBondContact O-N 2.69Å; L1034-H1036 VanDerWaalsContact C-N 3.33Å; L1034-H1036 PolarHBondContact O-N 3.09Å; L1034-A1037 PolarHBondContact O-N 3.02Å; L1034-I1038 HydrophobicContact CD1-CG2 4.44Å; L1034-I1038 WeakPolarHBondContact O-CG1 3.47Å; L1034-I1038 WeakPolarHBondContact O-CG2 3.37Å; L1034-I1038 PolarHBondContact O-N 2.78Å |
| 1035 | L | 89.5 | Confident | 76.2 | Confident | 49 Ų | 49 | 73.7 Ų | 73.7 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.7 | -74.7 | 176.9 | 0 | 0 | 0 | 111.4 | L969 K973 R1031 E1032 A1037 I1038 D1039 | L969-L1035 HydrophobicContact CD2-CD2 3.62Å; L969-L1035 HydrophobicContact CD2-CG 4.45Å; K973-L1035 HydrophobicContact CD-CD2 4.15Å; K973-L1035 HydrophobicContact CG-CD2 4.45Å; R1031-L1035 HydrophobicContact CG-CD1 3.95Å; R1031-L1035 HydrophobicContact CG-CG 4.42Å; R1031-L1035 VanDerWaalsContact O-CB 3.29Å; R1031-L1035 WeakPolarHBondContact O-CB 3.45Å; R1031-L1035 VanDerWaalsContact O-CG 3.23Å; R1031-L1035 WeakPolarHBondContact O-CG 3.19Å; R1031-L1035 PolarHBondContact O-N 3.42Å; E1032-L1035 PolarHBondContact O-N 3.22Å; L1035-A1037 VanDerWaalsContact C-N 3.31Å; L1035-A1037 PolarHBondContact O-N 3.26Å; L1035-I1038 HydrophobicContact CD2-CD1 3.83Å; L1035-I1038 VanDerWaalsContact O-CG1 3.26Å; L1035-I1038 WeakPolarHBondContact O-CG1 3.18Å; L1035-I1038 PolarHBondContact O-N 2.8Å; L1035-D1039 VanDerWaalsContact O-CB 3.29Å; L1035-D1039 WeakPolarHBondContact O-CB 3.44Å; L1035-D1039 VanDerWaalsContact O-CG 3.24Å; L1035-D1039 PolarHBondContact O-N 2.85Å |
| 1036 | H | 87.1 | Confident | 73.5 | Confident | 92 Ų | 92 | 77.5 Ų | 77.5 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 177.1 | -168.9 | -73.6 | 0 | 0 | 0 | 112.3 | L1009 E1032 L1034 H1040 | L1009-H1036 HydrophobicContact CD2-CB 4.07Å; E1032-H1036 VanDerWaalsContact O-CB 3.28Å; E1032-H1036 WeakPolarHBondContact O-CB 3.44Å; E1032-H1036 PolarHBondContact O-N 3.35Å; L1034-H1036 VanDerWaalsContact C-N 3.33Å; L1034-H1036 PolarHBondContact O-N 3.09Å; H1036-H1040 AromaticContact CE1-CE1 3.85Å; H1036-H1040 AromaticContact CE1-ND1 3.65Å; H1036-H1040 AromaticContact ND1-ND1 3.74Å; H1036-H1040 AromaticContact NE2-CE1 3.74Å; H1036-H1040 AromaticContact NE2-ND1 3.97Å; H1036-H1040 PolarHBondContact O-N 2.7Å; H1036-H1040 PolarHBondContact O-ND1 3.35Å |
| 1037 | A | 86.1 | Confident | 70.4 | Confident | 7 Ų | 7 | 84 Ų | 84 | 6% | 0.058 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -70.2 | -42 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | F980 P1010 K1033 L1034 L1035 | F980-A1037 HydrophobicContact CE2-CB 4.28Å; F980-A1037 HydrophobicContact CZ-CB 4.03Å; P1010-A1037 HydrophobicContact CG-CB 4.5Å; K1033-A1037 WeakPolarHBondContact O-CB 3.05Å; K1033-A1037 PolarHBondContact O-N 2.87Å; L1034-A1037 PolarHBondContact O-N 3.02Å; L1035-A1037 VanDerWaalsContact C-N 3.31Å; L1035-A1037 PolarHBondContact O-N 3.26Å |
| 1038 | I | 88.9 | Confident | 69.4 | Low | 1 Ų | 1 | 86.7 Ų | 86.7 | 1% | 0.005 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -73.1 | -28.9 | 179.5 | 65.8 | -179.6 | 0 | 0 | 0 | 112.9 | K973 M976 F977 F980 L1034 L1035 N1041 | K973-I1038 HydrophobicContact CB-CD1 4.14Å; K973-I1038 HydrophobicContact CD-CD1 4Å; M976-I1038 HydrophobicContact CB-CB 4.49Å; F977-I1038 HydrophobicContact CB-CG2 4.03Å; F977-I1038 HydrophobicContact CD2-CG2 3.97Å; F980-I1038 HydrophobicContact CB-CG2 4.18Å; F980-I1038 HydrophobicContact CD1-CG2 4.14Å; F980-I1038 HydrophobicContact CG-CG2 4.22Å; L1034-I1038 HydrophobicContact CD1-CG2 4.44Å; L1034-I1038 WeakPolarHBondContact O-CG1 3.47Å; L1034-I1038 WeakPolarHBondContact O-CG2 3.37Å; L1034-I1038 PolarHBondContact O-N 2.78Å; L1035-I1038 HydrophobicContact CD2-CD1 3.83Å; L1035-I1038 VanDerWaalsContact O-CG1 3.26Å; L1035-I1038 WeakPolarHBondContact O-CG1 3.18Å; L1035-I1038 PolarHBondContact O-N 2.8Å; I1038-N1041 PolarHBondContact O-ND2 2.94Å; I1038-N1041 VanDerWaalsContact O-ND2 3.17Å |
| 1039 | D | 82.3 | Confident | 68.5 | Low | 76 Ų | 76 | 84.8 Ų | 84.8 | 41% | 0.406 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -78.9 | -19.5 | -179.6 | -73.3 | -17.5 | 0 | 0 | 0 | 113.2 | K973 L1035 | K973-D1039 IonicContact NZ-OD1 2.67Å; K973-D1039 PolarHBondContact NZ-OD1 2.96Å; K973-D1039 IonicContact NZ-OD2 3.4Å; K973-D1039 PolarHBondContact NZ-OD2 3.17Å; L1035-D1039 VanDerWaalsContact O-CB 3.29Å; L1035-D1039 WeakPolarHBondContact O-CB 3.44Å; L1035-D1039 VanDerWaalsContact O-CG 3.24Å; L1035-D1039 PolarHBondContact O-N 2.85Å |
| 1040 | H | 76.3 | Confident | 67.4 | Low | 105 Ų | 105 | 87.3 Ų | 87.3 | 49% | 0.486 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 51.5 | 178.1 | -60 | 90.1 | 0 | 0 | 0 | 111.4 | H1036 | H1036-H1040 AromaticContact CE1-CE1 3.85Å; H1036-H1040 AromaticContact CE1-ND1 3.65Å; H1036-H1040 AromaticContact ND1-ND1 3.74Å; H1036-H1040 AromaticContact NE2-CE1 3.74Å; H1036-H1040 AromaticContact NE2-ND1 3.97Å; H1036-H1040 PolarHBondContact O-N 2.7Å; H1036-H1040 PolarHBondContact O-ND1 3.35Å |
| 1041 | N | 62.4 | Low | 66 | Low | 51 Ų | 51 | 92.4 Ų | 92.4 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | trans | -85.8 | -3.1 | -174.6 | 63.8 | 19.6 | 0 | 0 | 0 | 114.9 | F980 I1038 | F980-N1041 HydrophobicContact CB-CB 4.49Å; F980-N1041 HydrophobicContact CD2-CB 4.31Å; I1038-N1041 PolarHBondContact O-ND2 2.94Å; I1038-N1041 VanDerWaalsContact O-ND2 3.17Å | ||
| 1042 | Q | 47.3 | Very low | 64.5 | Low | 184 Ų | 184 | 92.4 Ų | 92.4 | 86% | 0.86 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -105.1 | 96.7 | 177.1 | -68.2 | -172.3 | -1.5 | 0 | 0 | 111.3 | ||
| 1043 | G | 36.7 | Very low | 62.7 | Low | 67 Ų | 67 | 89.6 Ų | 89.6 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | trans | 96 | 99.3 | 165 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1044 | F | 29.6 | Very low | 60.8 | Low | 160 Ų | 160 | 92.4 Ų | 92.4 | 70% | 0.702 | 52% | 0.522 | S | S | * | . | trans | -111.1 | 93.8 | 148.3 | -84 | -84.2 | 0 | 0 | 0 | 107.8 | L1046 | F1044-L1046 VanDerWaalsContact C-N 3.29Å; F1044-L1046 PolarHBondContact O-N 3.13Å; F1044-L1046 VanDerWaalsContact O-N 3.08Å | ||
| 1045 | N | 25.8 | Very low | 58.7 | Low | 161 Ų | 161 | 99.4 Ų | 99.4 | 86% | 0.861 | 56% | 0.562 | S | S | * | * | trans | -63.6 | 103.8 | 148 | -81.3 | -19.9 | 0 | 0 | 0 | 105.3 | A1047 | N1045-A1047 PolarHBondContact O-N 3.25Š| ||
| 1046 | L | 27.7 | Very low | 56.1 | Low | 172 Ų | 172 | 103.6 Ų | 103.6 | 90% | 0.901 | 59% | 0.587 | S | S | * | * | trans | -64.4 | 93.4 | 162.4 | -81.4 | 153.1 | 0 | 0 | 0 | 106.8 | F1044 | F1044-L1046 VanDerWaalsContact C-N 3.29Å; F1044-L1046 PolarHBondContact O-N 3.13Å; F1044-L1046 VanDerWaalsContact O-N 3.08Å | ||
| 1047 | A | 23.4 | Very low | 53.3 | Low | 167 Ų | 167 | 104.6 Ų | 104.6 | 100% | 1.38 | 60% | 0.602 | S | S | * | * | trans | -91.6 | 0 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | N1045 | N1045-A1047 PolarHBondContact O-N 3.25Š|
Retrieved 1,047 of 1,047 residues in 1454.1 ms
(Link to these results)