| 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 | 85 | Confident | 87.3 | Confident | 30 Ų | 30 | 24 Ų | 24 | 15% | 0.148 | 11% | 0.108 | C | C | . | . | 0 | 138.9 | 0 | 174.9 | 175.3 | 77.1 | 0 | 0 | 108.9 | C27 L35 V38 F47 F371 L372 L373 | M1-C27 HydrophobicContact CE-CB 3.86Å; M1-C27 PolarHBondContact O-N 3.34Å; M1-L35 HydrophobicContact CB-CD2 4.49Å; M1-L35 HydrophobicContact SD-CD2 3.62Å; M1-V38 HydrophobicContact SD-CG2 4.13Å; M1-F47 HydrophobicContact CE-CD1 4.36Å; M1-F47 HydrophobicContact CE-CE1 3.69Å; M1-F47 HydrophobicContact CE-CZ 4.45Å; M1-F47 HydrophobicContact SD-CD1 4.47Å; M1-F47 HydrophobicContact SD-CE1 4.08Å; M1-F371 HydrophobicContact CE-CD1 3.94Å; M1-F371 HydrophobicContact CE-CE1 4.07Å; M1-F371 HydrophobicContact CG-CD1 4.27Å; M1-F371 HydrophobicContact SD-CB 4.48Å; M1-F371 HydrophobicContact SD-CD1 3.72Å; M1-F371 HydrophobicContact SD-CE1 4.37Å; M1-F371 HydrophobicContact SD-CG 4.41Å; M1-L372 CarbonylContact C-O 3.55Å; M1-L372 WeakPolarHBondContact CA-O 3.45Å; M1-L373 HydrophobicContact CB-CD2 3.91Å; M1-L373 HydrophobicContact CG-CD2 3.73Å; M1-L373 HydrophobicContact SD-CD2 3.89Å | |||
| 2 | L | 87.2 | Confident | 87.2 | Confident | 8 Ų | 8 | 22.3 Ų | 22.3 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 149.1 | 166.8 | -54.9 | 176.9 | 0 | 0 | 0 | 109.8 | W4 P24 R25 S26 F371 L372 Y374 | L2-W4 HydrophobicContact CB-CE3 4.44Å; L2-W4 HydrophobicContact CB-CZ3 4.21Å; L2-P24 HydrophobicContact CB-CB 4.11Å; L2-P24 HydrophobicContact CD1-CB 3.92Å; L2-P24 HydrophobicContact CG-CB 4.49Å; L2-R25 CarbonylContact C-O 3.58Å; L2-R25 VanDerWaalsContact CA-O 3.24Å; L2-R25 WeakPolarHBondContact CA-O 3.45Å; L2-S26 VanDerWaalsContact CD2-OG 3.27Å; L2-S26 WeakPolarHBondContact CD2-OG 3.46Å; L2-F371 CarbonylContact O-C 3.53Å; L2-F371 WeakPolarHBondContact O-CA 3.33Å; L2-L372 HydrophobicContact CB-CB 4.25Å; L2-L372 HydrophobicContact CD1-CD2 4.15Å; L2-L372 HydrophobicContact CG-CD2 4.43Å; L2-L372 PolarHBondContact N-O 3Å; L2-L372 PolarHBondContact O-N 2.86Å; L2-Y374 HydrophobicContact CD1-CD1 4.46Å; L2-Y374 HydrophobicContact CD1-CE1 4.5Å; L2-Y374 HydrophobicContact CD2-CD1 4.41Å; L2-Y374 HydrophobicContact CD2-CE1 3.69Å; L2-Y374 HydrophobicContact CG-CD1 3.86Å; L2-Y374 HydrophobicContact CG-CE1 3.64Å |
| 3 | C | 89.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 142.8 | 179 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | L12 I14 R25 S370 F371 | C3-L12 HydrophobicContact CB-CD2 4.29Å; C3-I14 WeakPolarHBondContact SG-CD1 3.14Å; C3-R25 PolarHBondContact N-O 3.5Å; C3-R25 PolarHBondContact O-N 3.49Å; C3-R25 PolarHBondContact SG-O 3.5Å; C3-S370 WeakPolarHBondContact CA-O 3.49Å; C3-F371 HydrophobicContact CB-CD1 3.4Å; C3-F371 VanDerWaalsContact CB-CD1 3.4Å; C3-F371 HydrophobicContact CB-CE1 3.44Å; C3-F371 VanDerWaalsContact CB-CE1 3.44Å; C3-F371 HydrophobicContact CB-CG 4.46Å |
| 4 | W | 91.3 | Very high | 86 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 170.2 | 178.1 | 64.3 | 93.5 | 0 | 0 | 0 | 112 | L2 L12 A21 P24 L306 G324 Q325 G327 V340 H369 S370 L372 | L2-W4 HydrophobicContact CB-CE3 4.44Å; L2-W4 HydrophobicContact CB-CZ3 4.21Å; W4-L12 WeakPolarHBondContact O-CD2 3.46Å; W4-A21 HydrophobicContact CB-CB 4.36Å; W4-A21 WeakPolarHBondContact CB-O 3.31Å; W4-P24 HydrophobicContact CD2-CB 4.34Å; W4-P24 HydrophobicContact CD2-CG 4.07Å; W4-P24 HydrophobicContact CE3-CB 3.77Å; W4-P24 HydrophobicContact CE3-CG 3.91Å; W4-P24 HydrophobicContact CZ3-CB 4.27Å; W4-P24 HydrophobicContact CZ3-CG 4.36Å; W4-L306 HydrophobicContact CH2-CD1 4.39Å; W4-L306 HydrophobicContact CZ2-CD1 3.86Å; W4-G324 VanDerWaalsContact CD1-O 3.3Å; W4-Q325 PolarHBondContact NE1-O 3.13Å; W4-G327 VanDerWaalsContact CD1-CA 3.42Å; W4-G327 VanDerWaalsContact CD1-N 3.34Å; W4-V340 HydrophobicContact CZ2-CG1 4.34Å; W4-H369 WeakPolarHBondContact O-CA 3.48Å; W4-H369 WeakPolarHBondContact O-CB 3.43Å; W4-S370 VanDerWaalsContact CZ2-CB 3.45Å; W4-S370 PolarHBondContact N-O 2.94Å; W4-S370 PolarHBondContact O-N 3.44Å; W4-L372 HydrophobicContact CH2-CB 3.83Å; W4-L372 HydrophobicContact CH2-CD1 4.48Å; W4-L372 HydrophobicContact CZ3-CB 3.67Å |
| 5 | G | 90 | Very high | 84.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101 | -151 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A7 P20 A21 H323 | G5-A7 PolarHBondContact O-N 3.44Å; G5-P20 CarbonylContact O-C 3.54Å; G5-P20 VanDerWaalsContact O-CA 3.32Å; G5-P20 WeakPolarHBondContact O-CA 3.45Å; G5-A21 PolarHBondContact N-O 2.93Å; G5-A21 PolarHBondContact O-N 2.7Å; G5-H323 CarbonylContact C-O 3.58Å; G5-H323 VanDerWaalsContact CA-O 3.27Å; G5-H323 WeakPolarHBondContact CA-O 3.47Å |
| 6 | N | 89.1 | Confident | 83 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | trans | -65.3 | 131.1 | -176.2 | -171.6 | 4.3 | 0 | 0 | 0 | 111.9 | R8 Q11 H323 D368 | N6-R8 WeakPolarHBondContact OD1-CB 3.44Å; N6-R8 WeakPolarHBondContact OD1-CG 3.29Å; N6-R8 PolarHBondContact OD1-N 2.92Å; N6-R8 VanDerWaalsContact OD1-N 3.07Å; N6-Q11 WeakPolarHBondContact O-CG 3.39Å; N6-Q11 PolarHBondContact O-NE2 3.12Å; N6-H323 HydrophobicContact CB-CB 3.88Å; N6-D368 HydrophobicContact CB-CB 3.83Å; N6-D368 WeakPolarHBondContact CB-O 3.32Å; N6-D368 PolarHBondContact N-O 3.03Å | ||
| 7 | A | 86.8 | Confident | 81.8 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | trans | -124.6 | 6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | G5 D9 G10 L12 R18 N19 | G5-A7 PolarHBondContact O-N 3.44Å; A7-D9 VanDerWaalsContact C-N 3.29Å; A7-D9 PolarHBondContact O-N 3.24Å; A7-G10 PolarHBondContact O-N 3.46Å; A7-L12 HydrophobicContact CB-CD1 3.63Å; A7-L12 HydrophobicContact CB-CG 3.97Å; A7-R18 CarbonylContact C-O 3.58Å; A7-N19 VanDerWaalsContact CB-O 3.3Å; A7-N19 WeakPolarHBondContact CB-O 3.26Å | ||
| 8 | R | 85.8 | Confident | 81.2 | Confident | 150 Ų | 150 | 40.3 Ų | 40.3 | 57% | 0.566 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -42.2 | -170.2 | -75.5 | 179.5 | 177 | 177.1 | 3.1 | 113.2 | N6 | N6-R8 WeakPolarHBondContact OD1-CB 3.44Å; N6-R8 WeakPolarHBondContact OD1-CG 3.29Å; N6-R8 PolarHBondContact OD1-N 2.92Å; N6-R8 VanDerWaalsContact OD1-N 3.07Å |
| 9 | D | 84.9 | Confident | 81.1 | Confident | 59 Ų | 59 | 44.3 Ų | 44.3 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 3.3 | -178 | -57 | -63 | 0 | 0 | 0 | 112.3 | A7 Q43 G58 | A7-D9 VanDerWaalsContact C-N 3.29Å; A7-D9 PolarHBondContact O-N 3.24Å; D9-Q43 HydrophobicContact CB-CB 4.44Å; D9-Q43 PolarHBondContact OD2-NE2 3.01Å; D9-G58 CarbonylContact O-C 3.54Å; D9-G58 WeakPolarHBondContact O-CA 3.24Å |
| 10 | G | 84.9 | Confident | 81 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 85.8 | 10.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A7 L12 G13 | A7-G10 PolarHBondContact O-N 3.46Å; G10-L12 PolarHBondContact O-N 2.85Å; G10-G13 PolarHBondContact O-N 2.9Å; G10-G13 VanDerWaalsContact O-N 3.07Å |
| 11 | Q | 86.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.6 | -176.2 | 63.5 | -116.7 | 55.5 | 0 | 0 | 115.6 | N6 T45 H369 | N6-Q11 WeakPolarHBondContact O-CG 3.39Å; N6-Q11 PolarHBondContact O-NE2 3.12Å; Q11-T45 WeakPolarHBondContact O-CB 3.34Å; Q11-T45 PolarHBondContact O-OG1 3.12Å; Q11-H369 HydrophobicContact CG-CB 4.42Å |
| 12 | L | 85.3 | Confident | 81.1 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -17.1 | 176.3 | -61.5 | -173.9 | 0 | 0 | 0 | 113.8 | C3 W4 A7 G10 I14 A21 H369 F371 | C3-L12 HydrophobicContact CB-CD2 4.29Å; W4-L12 WeakPolarHBondContact O-CD2 3.46Å; A7-L12 HydrophobicContact CB-CD1 3.63Å; A7-L12 HydrophobicContact CB-CG 3.97Å; G10-L12 PolarHBondContact O-N 2.85Å; L12-I14 HydrophobicContact CB-CD1 3.96Å; L12-I14 HydrophobicContact CB-CG1 3.8Å; L12-I14 HydrophobicContact CD1-CD1 4.03Å; L12-I14 PolarHBondContact O-N 2.93Å; L12-A21 HydrophobicContact CD1-CB 4.03Å; L12-H369 HydrophobicContact CD2-CB 3.78Å; L12-F371 HydrophobicContact CD2-CZ 4.42Å |
| 13 | G | 80.3 | Confident | 81 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | trans | 72.9 | 20.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | G10 T72 P74 | G10-G13 PolarHBondContact O-N 2.9Å; G10-G13 VanDerWaalsContact O-N 3.07Å; G13-T72 CarbonylContact C-O 3.54Å; G13-T72 WeakPolarHBondContact CA-O 3.4Å; G13-P74 WeakPolarHBondContact O-CD 3.33Å | ||
| 14 | I | 77.5 | Confident | 80.8 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 30% | 0.297 | 24% | 0.239 | S | C | . | . | trans | -91.9 | 12 | -174.6 | -38 | 175.2 | 0 | 0 | 0 | 113 | C3 L12 A16 T72 | C3-I14 WeakPolarHBondContact SG-CD1 3.14Å; L12-I14 HydrophobicContact CB-CD1 3.96Å; L12-I14 HydrophobicContact CB-CG1 3.8Å; L12-I14 HydrophobicContact CD1-CD1 4.03Å; L12-I14 PolarHBondContact O-N 2.93Å; I14-A16 PolarHBondContact O-N 3.37Å; I14-T72 PolarHBondContact N-O 3.32Å | ||
| 15 | G | 63.2 | Low | 80.5 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 38% | 0.381 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 73.1 | -34.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | T72 | G15-T72 PolarHBondContact N-O 2.64Å; G15-T72 PolarHBondContact O-OG1 3.02Å |
| 16 | A | 60.6 | Low | 80 | Confident | 90 Ų | 90 | 52.4 Ų | 52.4 | 74% | 0.744 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -131 | -26.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | I14 | I14-A16 PolarHBondContact O-N 3.37Š|
| 17 | E | 63.3 | Low | 79.5 | Confident | 98 Ų | 98 | 52.3 Ų | 52.3 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | trans | -109.1 | 125.5 | -174.3 | -68.5 | -173.3 | -160.5 | 0 | 0 | 112.6 | R25 | E17-R25 IonicContact OE2-CZ 3.59Å; E17-R25 IonicContact OE2-NH1 3.39Å; E17-R25 PolarHBondContact OE2-NH1 3.45Å; E17-R25 IonicContact OE2-NH2 2.75Å | ||
| 18 | R | 70.3 | Confident | 79 | Confident | 174 Ų | 174 | 58.4 Ų | 58.4 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | trans | -96.8 | 1.5 | 174.4 | -64 | -172.3 | -178 | -168.1 | -1 | 113.7 | A7 T72 | A7-R18 CarbonylContact C-O 3.58Å; R18-T72 HydrophobicContact CG-CG2 4.4Å | ||
| 19 | N | 79.8 | Confident | 78.6 | Confident | 116 Ų | 116 | 54.5 Ų | 54.5 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -78.5 | 141.4 | 178.4 | -71.1 | -24.6 | 0 | 0 | 0 | 110.3 | A7 A21 | A7-N19 VanDerWaalsContact CB-O 3.3Å; A7-N19 WeakPolarHBondContact CB-O 3.26Å; N19-A21 PolarHBondContact O-N 3.03Å |
| 20 | P | 79.9 | Confident | 78.4 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | trans | -57.1 | 135.8 | 174 | -19.3 | 30 | 0 | 0 | 0 | 111.2 | G5 F22 H323 | G5-P20 CarbonylContact O-C 3.54Å; G5-P20 VanDerWaalsContact O-CA 3.32Å; G5-P20 WeakPolarHBondContact O-CA 3.45Å; P20-F22 HydrophobicContact CB-CE2 4.19Å; P20-F22 HydrophobicContact CB-CZ 4.01Å; P20-F22 HydrophobicContact CG-CZ 4.5Å; P20-H323 WeakPolarHBondContact CB-O 3Å | ||
| 21 | A | 84.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 107.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109 | W4 G5 L12 N19 E23 R25 | W4-A21 HydrophobicContact CB-CB 4.36Å; W4-A21 WeakPolarHBondContact CB-O 3.31Å; G5-A21 PolarHBondContact N-O 2.93Å; G5-A21 PolarHBondContact O-N 2.7Å; L12-A21 HydrophobicContact CD1-CB 4.03Å; N19-A21 PolarHBondContact O-N 3.03Å; A21-E23 VanDerWaalsContact C-N 3.27Å; A21-E23 PolarHBondContact O-N 3.17Å; A21-R25 HydrophobicContact CB-CG 4.49Å |
| 22 | F | 83.8 | Confident | 77 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 31% | 0.307 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -10.1 | -179.7 | -60.6 | -81.4 | 0 | 0 | 0 | 113.8 | P20 G324 G327 G329 L331 | P20-F22 HydrophobicContact CB-CE2 4.19Å; P20-F22 HydrophobicContact CB-CZ 4.01Å; P20-F22 HydrophobicContact CG-CZ 4.5Å; F22-G324 VanDerWaalsContact CD1-CA 3.42Å; F22-G327 CarbonylContact O-C 3.57Å; F22-G327 WeakPolarHBondContact O-CA 3.44Å; F22-G329 WeakPolarHBondContact O-CA 3.47Å; F22-G329 PolarHBondContact O-N 3Å; F22-L331 HydrophobicContact CD1-CD2 3.81Å; F22-L331 HydrophobicContact CE1-CD2 3.31Å; F22-L331 HydrophobicContact CZ-CD2 3.89Å |
| 23 | E | 84.6 | Confident | 76.5 | Confident | 66 Ų | 66 | 65 Ų | 65 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 149.6 | 178.2 | -61.6 | -173 | -179.2 | 0 | 0 | 109.9 | A21 R25 G329 K341 | A21-E23 VanDerWaalsContact C-N 3.27Å; A21-E23 PolarHBondContact O-N 3.17Å; E23-R25 PolarHBondContact O-N 3.44Å; E23-G329 VanDerWaalsContact CG-CA 3.47Å; E23-K341 HydrophobicContact CG-CD 4.15Å; E23-K341 IonicContact OE1-NZ 3.58Å; E23-K341 PolarHBondContact OE1-NZ 3.3Å; E23-K341 IonicContact OE2-NZ 2.78Å |
| 24 | P | 86 | Confident | 76.5 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 5% | 0.045 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 121.2 | 174.5 | -26.1 | 35.4 | 0 | 0 | 0 | 112.5 | L2 W4 G327 V340 K341 | L2-P24 HydrophobicContact CB-CB 4.11Å; L2-P24 HydrophobicContact CD1-CB 3.92Å; L2-P24 HydrophobicContact CG-CB 4.49Å; W4-P24 HydrophobicContact CD2-CB 4.34Å; W4-P24 HydrophobicContact CD2-CG 4.07Å; W4-P24 HydrophobicContact CE3-CB 3.77Å; W4-P24 HydrophobicContact CE3-CG 3.91Å; W4-P24 HydrophobicContact CZ3-CB 4.27Å; W4-P24 HydrophobicContact CZ3-CG 4.36Å; P24-G327 WeakPolarHBondContact CD-O 3.5Å; P24-V340 HydrophobicContact CG-CG1 3.57Å; P24-K341 WeakPolarHBondContact CD-O 3.26Å; P24-K341 WeakPolarHBondContact CG-O 3.28Å |
| 25 | R | 84.1 | Confident | 76.9 | Confident | 90 Ų | 90 | 65.1 Ų | 65.1 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.6 | 177.6 | -68.8 | 180 | 177.8 | -173 | -4.9 | 111.6 | L2 C3 E17 A21 E23 C27 | L2-R25 CarbonylContact C-O 3.58Å; L2-R25 VanDerWaalsContact CA-O 3.24Å; L2-R25 WeakPolarHBondContact CA-O 3.45Å; C3-R25 PolarHBondContact N-O 3.5Å; C3-R25 PolarHBondContact O-N 3.49Å; C3-R25 PolarHBondContact SG-O 3.5Å; E17-R25 IonicContact OE2-CZ 3.59Å; E17-R25 IonicContact OE2-NH1 3.39Å; E17-R25 PolarHBondContact OE2-NH1 3.45Å; E17-R25 IonicContact OE2-NH2 2.75Å; A21-R25 HydrophobicContact CB-CG 4.49Å; E23-R25 PolarHBondContact O-N 3.44Å; R25-C27 PolarHBondContact O-N 2.72Å |
| 26 | S | 79.6 | Confident | 78 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 121.3 | 175.7 | -74 | 0 | 0 | 0 | 0 | 111.3 | L2 | L2-S26 VanDerWaalsContact CD2-OG 3.27Å; L2-S26 WeakPolarHBondContact CD2-OG 3.46Å |
| 27 | C | 78.9 | Confident | 79.3 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | trans | -100.6 | 115.5 | 169.4 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | M1 R25 | M1-C27 HydrophobicContact CE-CB 3.86Å; M1-C27 PolarHBondContact O-N 3.34Å; R25-C27 PolarHBondContact O-N 2.72Å | ||
| 28 | H | 76.7 | Confident | 80.7 | Confident | 132 Ų | 132 | 60.4 Ų | 60.4 | 61% | 0.611 | 32% | 0.322 | S | S | * | . | trans | -94.2 | -0.1 | -175.8 | -65.6 | -69.1 | 0 | 0 | 0 | 114.1 | F30 S31 | H28-F30 PolarHBondContact O-N 3.39Å; H28-F30 VanDerWaalsContact O-N 3.12Å; H28-S31 VanDerWaalsContact CA-OG 3.28Å; H28-S31 WeakPolarHBondContact CA-OG 3.43Å; H28-S31 WeakPolarHBondContact O-CB 3.33Å; H28-S31 PolarHBondContact O-N 3.38Å; H28-S31 PolarHBondContact O-OG 3Å | ||
| 29 | V | 76.9 | Confident | 81.8 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 41% | 0.406 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34.6 | -173.2 | 176.4 | 0 | 0 | 0 | 0 | 113.4 | P74 | V29-P74 HydrophobicContact CG1-CB 4.4Å; V29-P74 HydrophobicContact CG1-CG 4Å |
| 30 | F | 79.7 | Confident | 82.4 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 7% | 0.066 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 17.9 | -178.4 | -57.3 | -69.8 | 0 | 0 | 0 | 113.7 | H28 G32 R33 L35 F47 L49 Y55 P74 | H28-F30 PolarHBondContact O-N 3.39Å; H28-F30 VanDerWaalsContact O-N 3.12Å; F30-G32 PolarHBondContact O-N 3.23Å; F30-R33 PolarHBondContact O-N 3.38Å; F30-R33 VanDerWaalsContact O-N 3.07Å; F30-L35 HydrophobicContact CB-CB 4.42Å; F30-F47 HydrophobicContact CD2-CD1 4.39Å; F30-F47 HydrophobicContact CE2-CB 3.9Å; F30-F47 AromaticContact CE2-CD1 3.73Å; F30-F47 HydrophobicContact CE2-CD1 3.73Å; F30-F47 AromaticContact CE2-CD2 3.84Å; F30-F47 HydrophobicContact CE2-CD2 3.84Å; F30-F47 HydrophobicContact CE2-CE1 4.22Å; F30-F47 HydrophobicContact CE2-CE2 4.28Å; F30-F47 AromaticContact CE2-CG 3.53Å; F30-F47 HydrophobicContact CE2-CG 3.53Å; F30-F47 HydrophobicContact CE2-CZ 4.47Å; F30-F47 HydrophobicContact CZ-CB 3.82Å; F30-F47 HydrophobicContact CZ-CD1 4.46Å; F30-F47 AromaticContact CZ-CD2 3.92Å; F30-F47 HydrophobicContact CZ-CD2 3.92Å; F30-F47 AromaticContact CZ-CG 3.81Å; F30-F47 HydrophobicContact CZ-CG 3.81Å; F30-L49 HydrophobicContact CD1-CD2 3.9Å; F30-L49 HydrophobicContact CE1-CD2 4.43Å; F30-L49 HydrophobicContact CG-CD2 4.4Å; F30-Y55 HydrophobicContact CE1-CD1 4.2Å; F30-Y55 AromaticContact CE1-CD2 3.98Å; F30-Y55 HydrophobicContact CE1-CD2 3.98Å; F30-Y55 AromaticContact CE1-CG 3.82Å; F30-Y55 HydrophobicContact CE1-CG 3.82Å; F30-Y55 HydrophobicContact CZ-CG 4.1Å; F30-P74 HydrophobicContact CE1-CB 4.44Å; F30-P74 HydrophobicContact CE2-CB 4.05Å; F30-P74 HydrophobicContact CE2-CG 3.9Å; F30-P74 HydrophobicContact CZ-CB 3.49Å; F30-P74 VanDerWaalsContact CZ-CB 3.49Å; F30-P74 HydrophobicContact CZ-CG 3.87Å |
| 31 | S | 73.5 | Confident | 82.9 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 122.8 | 179.9 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | H28 R33 | H28-S31 VanDerWaalsContact CA-OG 3.28Å; H28-S31 WeakPolarHBondContact CA-OG 3.43Å; H28-S31 WeakPolarHBondContact O-CB 3.33Å; H28-S31 PolarHBondContact O-N 3.38Å; H28-S31 PolarHBondContact O-OG 3Å; S31-R33 VanDerWaalsContact C-N 3.27Å; S31-R33 PolarHBondContact O-N 2.84Å |
| 32 | G | 68.8 | Low | 83 | Confident | 90 Ų | 90 | 47.4 Ų | 47.4 | 93% | 0.928 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -1.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F30 | F30-G32 PolarHBondContact O-N 3.23Š|
| 33 | R | 75.1 | Confident | 83.4 | Confident | 105 Ų | 105 | 47.8 Ų | 47.8 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -96.5 | 1.8 | -179.1 | -63.4 | -170.1 | 62.9 | -164 | -4.5 | 114.6 | F30 S31 L49 Y55 | F30-R33 PolarHBondContact O-N 3.38Å; F30-R33 VanDerWaalsContact O-N 3.07Å; S31-R33 VanDerWaalsContact C-N 3.27Å; S31-R33 PolarHBondContact O-N 2.84Å; R33-L49 HydrophobicContact CB-CD1 4.48Å; R33-L49 HydrophobicContact CB-CD2 4.45Å; R33-Y55 PolarHBondContact NH1-OH 3.26Å; R33-Y55 PolarHBondContact NH2-OH 3.17Å |
| 34 | G | 79.1 | Confident | 83.7 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | trans | 64.5 | 70.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K36 L49 H50 | G34-K36 PolarHBondContact O-N 3.34Å; G34-L49 CarbonylContact O-C 3.45Å; G34-L49 WeakPolarHBondContact O-CA 3.35Å; G34-H50 VanDerWaalsContact C-CD2 3.48Å; G34-H50 PolarHBondContact O-CD2 3.17Å; G34-H50 PolarHBondContact O-N 3.06Å | ||
| 35 | L | 86.1 | Confident | 84.1 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 122 | 173.5 | -177.9 | 66.6 | 0 | 0 | 0 | 110.5 | M1 F30 V38 F47 L48 L49 L373 | M1-L35 HydrophobicContact CB-CD2 4.49Å; M1-L35 HydrophobicContact SD-CD2 3.62Å; F30-L35 HydrophobicContact CB-CB 4.42Å; L35-V38 HydrophobicContact CD1-CG2 4.35Å; L35-V38 HydrophobicContact CD2-CG2 3.86Å; L35-V38 HydrophobicContact CG-CG2 4.34Å; L35-F47 HydrophobicContact CD1-CB 3.84Å; L35-F47 HydrophobicContact CD1-CD1 4.28Å; L35-L48 WeakPolarHBondContact CD1-O 3.19Å; L35-L49 HydrophobicContact CB-CD2 4.29Å; L35-L49 HydrophobicContact CD1-CD2 4.05Å; L35-L373 HydrophobicContact CD2-CD2 3.58Å; L35-L373 HydrophobicContact CG-CD2 4.42Å |
| 36 | K | 87 | Confident | 84.5 | Confident | 80 Ų | 80 | 40 Ų | 40 | 35% | 0.348 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -50.2 | -177.4 | -177.2 | -172.2 | 178.9 | -166.1 | 0 | 112 | G34 L48 T86 | G34-K36 PolarHBondContact O-N 3.34Å; K36-L48 WeakPolarHBondContact CA-O 3.31Å; K36-L48 WeakPolarHBondContact CB-O 3.5Å; K36-L48 HydrophobicContact CD-CD2 4.09Å; K36-L48 HydrophobicContact CD-CG 4.39Å; K36-L48 PolarHBondContact N-O 2.98Å; K36-T86 PolarHBondContact NZ-O 2.91Å |
| 37 | E | 89.1 | Confident | 85.2 | Confident | 41 Ų | 41 | 38.2 Ų | 38.2 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 151.5 | -173.5 | 179.7 | 157.7 | -126.2 | 0 | 0 | 111.7 | L48 V88 K362 | E37-L48 HydrophobicContact CB-CB 4.25Å; E37-L48 HydrophobicContact CB-CD2 4.38Å; E37-L48 PolarHBondContact N-O 3.14Å; E37-L48 VanDerWaalsContact N-O 3.08Å; E37-L48 PolarHBondContact O-N 2.87Å; E37-V88 HydrophobicContact CG-CG2 4.45Å; E37-K362 IonicContact OE1-NZ 3.64Å; E37-K362 PolarHBondContact OE1-NZ 2.93Å |
| 38 | V | 92.7 | Very high | 85.9 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.3 | 171.5 | -169.7 | 0 | 0 | 0 | 0 | 107.9 | M1 L35 T45 L46 F47 I364 F371 L373 | M1-V38 HydrophobicContact SD-CG2 4.13Å; L35-V38 HydrophobicContact CD1-CG2 4.35Å; L35-V38 HydrophobicContact CD2-CG2 3.86Å; L35-V38 HydrophobicContact CG-CG2 4.34Å; V38-T45 HydrophobicContact CG1-CG2 3.37Å; V38-L46 CarbonylContact C-O 3.56Å; V38-L46 VanDerWaalsContact CA-O 3.31Å; V38-L46 WeakPolarHBondContact CA-O 3.25Å; V38-L46 WeakPolarHBondContact CG1-O 3.46Å; V38-F47 HydrophobicContact CB-CD1 4.36Å; V38-F47 HydrophobicContact CG1-CD1 3.76Å; V38-F47 HydrophobicContact CG1-CE1 3.72Å; V38-F47 HydrophobicContact CG2-CD1 3.79Å; V38-F47 HydrophobicContact CG2-CE1 4.22Å; V38-I364 HydrophobicContact CB-CD1 3.56Å; V38-I364 HydrophobicContact CB-CG2 4.34Å; V38-I364 HydrophobicContact CG2-CD1 3.86Å; V38-I364 WeakPolarHBondContact O-CG2 3.43Å; V38-F371 HydrophobicContact CG1-CD2 4.04Å; V38-F371 HydrophobicContact CG1-CE2 4.15Å; V38-F371 HydrophobicContact CG1-CG 4.43Å; V38-L373 HydrophobicContact CG2-CD2 4.41Å |
| 39 | A | 93.2 | Very high | 86.6 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L46 V88 C90 | A39-L46 HydrophobicContact CB-CB 4.35Å; A39-L46 PolarHBondContact N-O 2.67Å; A39-L46 PolarHBondContact O-N 2.91Å; A39-V88 HydrophobicContact CB-CB 4.28Å; A39-V88 HydrophobicContact CB-CG2 3.75Å; A39-C90 PolarHBondContact O-SG 3.49Å |
| 40 | C | 92.1 | Very high | 87.2 | Confident | 21 Ų | 21 | 34.5 Ų | 34.5 | 14% | 0.142 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.7 | -170.5 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | F371 | C40-F371 VanDerWaalsContact SG-CD2 3.51Å; C40-F371 WeakPolarHBondContact SG-CE2 2.98Å |
| 41 | G | 89.5 | Confident | 87.6 | Confident | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | trans | -91.2 | -161.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H44 G91 G367 | G41-H44 WeakPolarHBondContact CA-O 3.47Å; G41-H44 PolarHBondContact N-O 2.75Å; G41-G91 VanDerWaalsContact CA-O 3.23Å; G41-G91 WeakPolarHBondContact CA-O 3.39Å; G41-G367 PolarHBondContact O-N 2.85Å; G41-G367 VanDerWaalsContact O-N 3.16Å | ||
| 42 | G | 87.4 | Confident | 88.4 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 6% | 0.062 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -65 | -46.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | G91 R92 | G42-G91 PolarHBondContact N-O 3.36Å; G42-R92 PolarHBondContact N-O 3.04Å |
| 43 | Q | 90.5 | Very high | 89.5 | Confident | 79 Ų | 79 | 31.5 Ų | 31.5 | 37% | 0.369 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -139.8 | 15 | -175.4 | -64.3 | -179.3 | -60.4 | 0 | 0 | 112.9 | D9 S59 | D9-Q43 HydrophobicContact CB-CB 4.44Å; D9-Q43 PolarHBondContact OD2-NE2 3.01Å; Q43-S59 PolarHBondContact O-N 3.2Å |
| 44 | H | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 160.7 | -179 | 71.8 | -70.3 | 0 | 0 | 0 | 110.7 | G41 C57 Q64 L65 S95 | G41-H44 WeakPolarHBondContact CA-O 3.47Å; G41-H44 PolarHBondContact N-O 2.75Å; H44-C57 WeakPolarHBondContact CA-O 3.19Å; H44-Q64 HydrophobicContact CB-CG 4.06Å; H44-L65 HydrophobicContact CB-CD2 3.82Å; H44-S95 PolarHBondContact NE2-OG 3.37Å |
| 45 | T | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.1 | -176.2 | -52.8 | 0 | 0 | 0 | 0 | 110.2 | Q11 V38 F47 T56 C57 H369 F371 | Q11-T45 WeakPolarHBondContact O-CB 3.34Å; Q11-T45 PolarHBondContact O-OG1 3.12Å; V38-T45 HydrophobicContact CG1-CG2 3.37Å; T45-F47 HydrophobicContact CG2-CD1 4.45Å; T45-F47 HydrophobicContact CG2-CD2 4.48Å; T45-F47 HydrophobicContact CG2-CE1 3.82Å; T45-F47 HydrophobicContact CG2-CE2 3.88Å; T45-F47 HydrophobicContact CG2-CZ 3.5Å; T45-T56 VanDerWaalsContact O-CA 3.32Å; T45-T56 WeakPolarHBondContact O-CA 3.21Å; T45-C57 PolarHBondContact N-O 3.29Å; T45-C57 PolarHBondContact O-N 3.31Å; T45-H369 PolarHBondContact OG1-NE2 3.44Å; T45-H369 VanDerWaalsContact OG1-NE2 3.14Å; T45-F371 HydrophobicContact CG2-CE2 3.64Å; T45-F371 HydrophobicContact CG2-CZ 3.77Å |
| 46 | L | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.6 | 173.1 | -89.2 | 57.5 | 0 | 0 | 0 | 109.3 | V38 A39 V54 Y55 T56 V88 W107 | V38-L46 CarbonylContact C-O 3.56Å; V38-L46 VanDerWaalsContact CA-O 3.31Å; V38-L46 WeakPolarHBondContact CA-O 3.25Å; V38-L46 WeakPolarHBondContact CG1-O 3.46Å; A39-L46 HydrophobicContact CB-CB 4.35Å; A39-L46 PolarHBondContact N-O 2.67Å; A39-L46 PolarHBondContact O-N 2.91Å; L46-V54 HydrophobicContact CG-CG1 4.4Å; L46-Y55 CarbonylContact C-O 3.22Å; L46-Y55 WeakPolarHBondContact CA-O 3.32Å; L46-T56 HydrophobicContact CB-CG2 4.49Å; L46-T56 HydrophobicContact CD1-CG2 3.48Å; L46-T56 VanDerWaalsContact CD1-CG2 3.48Å; L46-T56 HydrophobicContact CG-CG2 3.58Å; L46-V88 HydrophobicContact CB-CB 4.45Å; L46-V88 HydrophobicContact CB-CG2 4.38Å; L46-V88 HydrophobicContact CD2-CB 4.05Å; L46-V88 HydrophobicContact CD2-CG1 4.25Å; L46-W107 HydrophobicContact CD2-CH2 4.21Å; L46-W107 HydrophobicContact CD2-CZ2 3.89Å |
| 47 | F | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.8 | 174.8 | -54 | -85.2 | 0 | 0 | 0 | 109 | M1 F30 L35 V38 T45 V54 Y55 C57 P74 F371 | M1-F47 HydrophobicContact CE-CD1 4.36Å; M1-F47 HydrophobicContact CE-CE1 3.69Å; M1-F47 HydrophobicContact CE-CZ 4.45Å; M1-F47 HydrophobicContact SD-CD1 4.47Å; M1-F47 HydrophobicContact SD-CE1 4.08Å; F30-F47 HydrophobicContact CD2-CD1 4.39Å; F30-F47 HydrophobicContact CE2-CB 3.9Å; F30-F47 AromaticContact CE2-CD1 3.73Å; F30-F47 HydrophobicContact CE2-CD1 3.73Å; F30-F47 AromaticContact CE2-CD2 3.84Å; F30-F47 HydrophobicContact CE2-CD2 3.84Å; F30-F47 HydrophobicContact CE2-CE1 4.22Å; F30-F47 HydrophobicContact CE2-CE2 4.28Å; F30-F47 AromaticContact CE2-CG 3.53Å; F30-F47 HydrophobicContact CE2-CG 3.53Å; F30-F47 HydrophobicContact CE2-CZ 4.47Å; F30-F47 HydrophobicContact CZ-CB 3.82Å; F30-F47 HydrophobicContact CZ-CD1 4.46Å; F30-F47 AromaticContact CZ-CD2 3.92Å; F30-F47 HydrophobicContact CZ-CD2 3.92Å; F30-F47 AromaticContact CZ-CG 3.81Å; F30-F47 HydrophobicContact CZ-CG 3.81Å; L35-F47 HydrophobicContact CD1-CB 3.84Å; L35-F47 HydrophobicContact CD1-CD1 4.28Å; V38-F47 HydrophobicContact CB-CD1 4.36Å; V38-F47 HydrophobicContact CG1-CD1 3.76Å; V38-F47 HydrophobicContact CG1-CE1 3.72Å; V38-F47 HydrophobicContact CG2-CD1 3.79Å; V38-F47 HydrophobicContact CG2-CE1 4.22Å; T45-F47 HydrophobicContact CG2-CD1 4.45Å; T45-F47 HydrophobicContact CG2-CD2 4.48Å; T45-F47 HydrophobicContact CG2-CE1 3.82Å; T45-F47 HydrophobicContact CG2-CE2 3.88Å; T45-F47 HydrophobicContact CG2-CZ 3.5Å; F47-V54 WeakPolarHBondContact O-CA 3.2Å; F47-Y55 PolarHBondContact N-O 3Å; F47-Y55 PolarHBondContact O-N 3.26Å; F47-C57 VanDerWaalsContact CE2-SG 3.58Å; F47-P74 HydrophobicContact CD2-CB 4.06Å; F47-P74 HydrophobicContact CD2-CG 4.2Å; F47-P74 HydrophobicContact CE2-CB 4.09Å; F47-P74 HydrophobicContact CE2-CG 3.79Å; F47-P74 HydrophobicContact CZ-CG 4.44Å; F47-F371 HydrophobicContact CE1-CE1 4.16Å; F47-F371 HydrophobicContact CE1-CZ 4.34Å; F47-F371 HydrophobicContact CZ-CE1 4.29Å; F47-F371 HydrophobicContact CZ-CZ 4.24Å |
| 48 | L | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.1 | 176.4 | 175.6 | 63.9 | 0 | 0 | 0 | 109.5 | L35 K36 E37 V54 I85 T86 V88 | L35-L48 WeakPolarHBondContact CD1-O 3.19Å; K36-L48 WeakPolarHBondContact CA-O 3.31Å; K36-L48 WeakPolarHBondContact CB-O 3.5Å; K36-L48 HydrophobicContact CD-CD2 4.09Å; K36-L48 HydrophobicContact CD-CG 4.39Å; K36-L48 PolarHBondContact N-O 2.98Å; E37-L48 HydrophobicContact CB-CB 4.25Å; E37-L48 HydrophobicContact CB-CD2 4.38Å; E37-L48 PolarHBondContact N-O 3.14Å; E37-L48 VanDerWaalsContact N-O 3.08Å; E37-L48 PolarHBondContact O-N 2.87Å; L48-V54 HydrophobicContact CD1-CG2 3.97Å; L48-I85 HydrophobicContact CD1-CB 3.88Å; L48-I85 HydrophobicContact CD1-CG2 3.83Å; L48-I85 HydrophobicContact CD2-CG2 4.5Å; L48-T86 WeakPolarHBondContact CD2-O 3.16Å; L48-V88 HydrophobicContact CB-CG1 4.38Å; L48-V88 HydrophobicContact CB-CG2 3.97Å |
| 49 | L | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 163 | 175.2 | -63.4 | -176.6 | 0 | 0 | 0 | 111.6 | F30 R33 G34 L35 D51 G52 S53 Y55 | F30-L49 HydrophobicContact CD1-CD2 3.9Å; F30-L49 HydrophobicContact CE1-CD2 4.43Å; F30-L49 HydrophobicContact CG-CD2 4.4Å; R33-L49 HydrophobicContact CB-CD1 4.48Å; R33-L49 HydrophobicContact CB-CD2 4.45Å; G34-L49 CarbonylContact O-C 3.45Å; G34-L49 WeakPolarHBondContact O-CA 3.35Å; L35-L49 HydrophobicContact CB-CD2 4.29Å; L35-L49 HydrophobicContact CD1-CD2 4.05Å; L49-D51 WeakPolarHBondContact CB-OD1 3.44Å; L49-D51 PolarHBondContact O-N 3.04Å; L49-G52 PolarHBondContact O-N 2.86Å; L49-G52 VanDerWaalsContact O-N 3.11Å; L49-S53 PolarHBondContact N-O 2.82Å; L49-Y55 HydrophobicContact CD1-CD2 4.01Å; L49-Y55 HydrophobicContact CD1-CE2 3.59Å; L49-Y55 HydrophobicContact CG-CD2 4.29Å; L49-Y55 HydrophobicContact CG-CE2 4.35Å |
| 50 | H | 88.3 | Confident | 91.4 | Very high | 127 Ų | 127 | 20 Ų | 20 | 59% | 0.588 | 11% | 0.107 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23 | 177.9 | -79.6 | -69.5 | 0 | 0 | 0 | 113.7 | G34 G52 | G34-H50 VanDerWaalsContact C-CD2 3.48Å; G34-H50 PolarHBondContact O-CD2 3.17Å; G34-H50 PolarHBondContact O-N 3.06Å; H50-G52 PolarHBondContact O-N 3.16Å |
| 51 | D | 89.1 | Confident | 91.2 | Very high | 89 Ų | 89 | 23.3 Ų | 23.3 | 48% | 0.476 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.1 | 173.1 | 58.7 | 11.1 | 0 | 0 | 0 | 112.9 | L49 S53 | L49-D51 WeakPolarHBondContact CB-OD1 3.44Å; L49-D51 PolarHBondContact O-N 3.04Å; D51-S53 WeakPolarHBondContact OD1-CB 3.32Å; D51-S53 PolarHBondContact OD1-N 2.9Å; D51-S53 PolarHBondContact OD1-OG 3.44Å |
| 52 | G | 89.8 | Confident | 91.1 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 96.6 | 0.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L49 H50 I85 | L49-G52 PolarHBondContact O-N 2.86Å; L49-G52 VanDerWaalsContact O-N 3.11Å; H50-G52 PolarHBondContact O-N 3.16Å; G52-I85 WeakPolarHBondContact CA-O 3.36Å; G52-I85 WeakPolarHBondContact O-CB 3.37Å; G52-I85 PolarHBondContact O-N 3.27Å |
| 53 | S | 92.7 | Very high | 91.2 | Very high | 24 Ų | 24 | 24.5 Ų | 24.5 | 17% | 0.168 | 14% | 0.135 | C | C | . | . | trans | -75.2 | 140.6 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | L49 D51 | L49-S53 PolarHBondContact N-O 2.82Å; D51-S53 WeakPolarHBondContact OD1-CB 3.32Å; D51-S53 PolarHBondContact OD1-N 2.9Å; D51-S53 PolarHBondContact OD1-OG 3.44Å | ||
| 54 | V | 93.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.018 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.3 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | L46 F47 L48 T56 V77 L80 I85 V88 | L46-V54 HydrophobicContact CG-CG1 4.4Å; F47-V54 WeakPolarHBondContact O-CA 3.2Å; L48-V54 HydrophobicContact CD1-CG2 3.97Å; V54-T56 HydrophobicContact CG1-CG2 4.38Å; V54-V77 HydrophobicContact CG1-CG2 4.23Å; V54-V77 PolarHBondContact O-N 2.86Å; V54-L80 HydrophobicContact CB-CD1 4.5Å; V54-L80 HydrophobicContact CG2-CD1 4.4Å; V54-I85 HydrophobicContact CG2-CB 3.84Å; V54-I85 HydrophobicContact CG2-CG1 3.76Å; V54-I85 HydrophobicContact CG2-CG2 3.83Å; V54-V88 HydrophobicContact CG1-CG1 4.28Å; V54-V88 HydrophobicContact CG2-CG1 4.04Å |
| 55 | Y | 92.5 | Very high | 91.2 | Very high | 31 Ų | 31 | 20.8 Ų | 20.8 | 12% | 0.122 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.1 | 174.3 | -72.6 | -100.6 | 0 | 0 | 0 | 111.1 | F30 R33 L46 F47 L49 E75 L76 | F30-Y55 HydrophobicContact CE1-CD1 4.2Å; F30-Y55 AromaticContact CE1-CD2 3.98Å; F30-Y55 HydrophobicContact CE1-CD2 3.98Å; F30-Y55 AromaticContact CE1-CG 3.82Å; F30-Y55 HydrophobicContact CE1-CG 3.82Å; F30-Y55 HydrophobicContact CZ-CG 4.1Å; R33-Y55 PolarHBondContact NH1-OH 3.26Å; R33-Y55 PolarHBondContact NH2-OH 3.17Å; L46-Y55 CarbonylContact C-O 3.22Å; L46-Y55 WeakPolarHBondContact CA-O 3.32Å; F47-Y55 PolarHBondContact N-O 3Å; F47-Y55 PolarHBondContact O-N 3.26Å; L49-Y55 HydrophobicContact CD1-CD2 4.01Å; L49-Y55 HydrophobicContact CD1-CE2 3.59Å; L49-Y55 HydrophobicContact CG-CD2 4.29Å; L49-Y55 HydrophobicContact CG-CE2 4.35Å; Y55-E75 CarbonylContact C-O 3.55Å; Y55-E75 WeakPolarHBondContact CA-O 3.23Å; Y55-L76 HydrophobicContact CD1-CB 4.2Å; Y55-L76 HydrophobicContact CD2-CD1 4.28Å; Y55-L76 HydrophobicContact CE1-CB 3.72Å; Y55-L76 HydrophobicContact CE1-CD1 4.33Å; Y55-L76 HydrophobicContact CE2-CD1 3.78Å |
| 56 | T | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.4 | -178.9 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | T45 L46 V54 L65 H67 P74 E75 V77 | T45-T56 VanDerWaalsContact O-CA 3.32Å; T45-T56 WeakPolarHBondContact O-CA 3.21Å; L46-T56 HydrophobicContact CB-CG2 4.49Å; L46-T56 HydrophobicContact CD1-CG2 3.48Å; L46-T56 VanDerWaalsContact CD1-CG2 3.48Å; L46-T56 HydrophobicContact CG-CG2 3.58Å; V54-T56 HydrophobicContact CG1-CG2 4.38Å; T56-L65 WeakPolarHBondContact CB-O 3.32Å; T56-L65 WeakPolarHBondContact CG2-O 3.19Å; T56-L65 PolarHBondContact OG1-O 3.21Å; T56-H67 PolarHBondContact OG1-CD2 3.23Å; T56-H67 PolarHBondContact OG1-NE2 3.09Å; T56-P74 WeakPolarHBondContact O-CA 3.48Å; T56-E75 PolarHBondContact N-O 3.49Å; T56-E75 PolarHBondContact O-N 2.96Å; T56-V77 HydrophobicContact CG2-CG2 3.59Å |
| 57 | C | 91.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 164.1 | 170.2 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | H44 T45 F47 L65 P74 | H44-C57 WeakPolarHBondContact CA-O 3.19Å; T45-C57 PolarHBondContact N-O 3.29Å; T45-C57 PolarHBondContact O-N 3.31Å; F47-C57 VanDerWaalsContact CE2-SG 3.58Å; C57-L65 WeakPolarHBondContact O-CD2 3.4Å; C57-P74 HydrophobicContact CB-CG 4.49Å |
| 58 | G | 90.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.9 | -149.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D9 G71 | D9-G58 CarbonylContact O-C 3.54Å; D9-G58 WeakPolarHBondContact O-CA 3.24Å; G58-G71 PolarHBondContact N-O 2.66Å; G58-G71 VanDerWaalsContact N-O 3.16Å |
| 59 | S | 89.7 | Confident | 89.4 | Confident | 18 Ų | 18 | 36 Ų | 36 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | trans | -69.7 | 140.6 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | Q43 Q64 | Q43-S59 PolarHBondContact O-N 3.2Å; S59-Q64 WeakPolarHBondContact O-CG 3.34Å; S59-Q64 PolarHBondContact O-NE2 3.43Å; S59-Q64 VanDerWaalsContact O-NE2 3.14Å | ||
| 60 | N | 89.8 | Confident | 88.3 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | trans | -128.1 | 19.8 | 178.9 | -159.6 | 26.2 | 0 | 0 | 0 | 113.1 | C62 G63 Q64 L65 H67 R69 D70 | N60-C62 PolarHBondContact O-N 2.72Å; N60-G63 PolarHBondContact O-N 2.93Å; N60-G63 WeakPolarHBondContact OD1-CA 3.16Å; N60-Q64 VanDerWaalsContact CA-OE1 3.26Å; N60-Q64 PolarHBondContact OD1-N 3.38Å; N60-L65 HydrophobicContact CB-CB 4.45Å; N60-L65 HydrophobicContact CB-CD1 3.65Å; N60-L65 HydrophobicContact CB-CG 3.76Å; N60-L65 WeakPolarHBondContact OD1-CB 3.36Å; N60-L65 PolarHBondContact OD1-N 2.72Å; N60-H67 PolarHBondContact ND2-O 2.85Å; N60-R69 PolarHBondContact ND2-O 3.29Å; N60-D70 WeakPolarHBondContact CB-OD1 3.48Å; N60-D70 PolarHBondContact ND2-OD1 3.43Å | ||
| 61 | C | 87.6 | Confident | 87.3 | Confident | 92 Ų | 92 | 36.8 Ų | 36.8 | 62% | 0.622 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.6 | -175.4 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 62 | C | 88.5 | Confident | 86.6 | Confident | 35 Ų | 35 | 34 Ų | 34 | 24% | 0.236 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 10.9 | 179.4 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | N60 G108 A109 A123 | N60-C62 PolarHBondContact O-N 2.72Å; C62-G108 CarbonylContact O-C 3.3Å; C62-G108 VanDerWaalsContact O-CA 3.28Å; C62-G108 WeakPolarHBondContact O-CA 3.41Å; C62-A109 HydrophobicContact CB-CB 3.85Å; C62-A123 VanDerWaalsContact O-CB 3.31Å; C62-A123 WeakPolarHBondContact O-CB 3.22Å |
| 63 | G | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 77.8 | 15 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | N60 L65 G66 | N60-G63 PolarHBondContact O-N 2.93Å; N60-G63 WeakPolarHBondContact OD1-CA 3.16Å; G63-L65 PolarHBondContact O-N 3.5Å; G63-L65 VanDerWaalsContact O-N 3.15Å; G63-G66 PolarHBondContact O-N 2.95Å; G63-G66 VanDerWaalsContact O-N 3.13Å |
| 64 | Q | 91.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.4 | -173.5 | 63.9 | -94 | 51.6 | 0 | 0 | 114.7 | H44 S59 N60 A93 S95 W107 | H44-Q64 HydrophobicContact CB-CG 4.06Å; S59-Q64 WeakPolarHBondContact O-CG 3.34Å; S59-Q64 PolarHBondContact O-NE2 3.43Å; S59-Q64 VanDerWaalsContact O-NE2 3.14Å; N60-Q64 VanDerWaalsContact CA-OE1 3.26Å; N60-Q64 PolarHBondContact OD1-N 3.38Å; Q64-A93 WeakPolarHBondContact CB-O 3.37Å; Q64-S95 PolarHBondContact O-OG 3.5Å; Q64-W107 PolarHBondContact O-NE1 2.99Å |
| 65 | L | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -18.7 | 174.8 | -56.5 | -172.2 | 0 | 0 | 0 | 113 | H44 T56 C57 N60 G63 H67 V77 | H44-L65 HydrophobicContact CB-CD2 3.82Å; T56-L65 WeakPolarHBondContact CB-O 3.32Å; T56-L65 WeakPolarHBondContact CG2-O 3.19Å; T56-L65 PolarHBondContact OG1-O 3.21Å; C57-L65 WeakPolarHBondContact O-CD2 3.4Å; N60-L65 HydrophobicContact CB-CB 4.45Å; N60-L65 HydrophobicContact CB-CD1 3.65Å; N60-L65 HydrophobicContact CB-CG 3.76Å; N60-L65 WeakPolarHBondContact OD1-CB 3.36Å; N60-L65 PolarHBondContact OD1-N 2.72Å; G63-L65 PolarHBondContact O-N 3.5Å; G63-L65 VanDerWaalsContact O-N 3.15Å; L65-H67 VanDerWaalsContact C-N 3.29Å; L65-V77 WeakPolarHBondContact O-CG2 3.3Å |
| 66 | G | 89.1 | Confident | 85.8 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 80.1 | 8.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G63 W107 R125 | G63-G66 PolarHBondContact O-N 2.95Å; G63-G66 VanDerWaalsContact O-N 3.13Å; G66-W107 VanDerWaalsContact CA-CD1 3.49Å; G66-R125 CarbonylContact C-O 3.18Å; G66-R125 WeakPolarHBondContact CA-O 3.43Å |
| 67 | H | 87.4 | Confident | 85.8 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 12% | 0.12 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -145.8 | 168.6 | 174.9 | 55.1 | 68.1 | 0 | 0 | 0 | 111.3 | T56 N60 L65 R69 E75 | T56-H67 PolarHBondContact OG1-CD2 3.23Å; T56-H67 PolarHBondContact OG1-NE2 3.09Å; N60-H67 PolarHBondContact ND2-O 2.85Å; L65-H67 VanDerWaalsContact C-N 3.29Å; H67-R69 VanDerWaalsContact C-N 3.35Å; H67-R69 PolarHBondContact CE1-O 3.45Å; H67-R69 PolarHBondContact ND1-N 3.34Å; H67-R69 PolarHBondContact ND1-O 3.14Å; H67-E75 IonicContact CE1-OE2 2.86Å; H67-E75 PolarHBondContact CE1-OE2 2.81Å; H67-E75 IonicContact ND1-OE2 2.82Å; H67-E75 IonicContact NE2-OE2 3.95Å |
| 68 | N | 82.1 | Confident | 85.6 | Confident | 123 Ų | 123 | 41.7 Ų | 41.7 | 66% | 0.658 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -85.1 | -3.7 | -174.8 | -71.2 | -36 | 0 | 0 | 0 | 114.9 | ||
| 69 | R | 79.1 | Confident | 85.5 | Confident | 165 Ų | 165 | 44 Ų | 44 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | trans | -93.8 | 137.9 | -178.8 | -65.6 | 176.5 | -179 | -169.6 | 7 | 110.4 | N60 H67 E75 | N60-R69 PolarHBondContact ND2-O 3.29Å; H67-R69 VanDerWaalsContact C-N 3.35Å; H67-R69 PolarHBondContact CE1-O 3.45Å; H67-R69 PolarHBondContact ND1-N 3.34Å; H67-R69 PolarHBondContact ND1-O 3.14Å; R69-E75 WeakPolarHBondContact CB-OE2 3.36Å; R69-E75 VanDerWaalsContact CD-CD 3.4Å; R69-E75 WeakPolarHBondContact CD-OE1 3.44Å; R69-E75 WeakPolarHBondContact CD-OE2 3.44Å; R69-E75 IonicContact CZ-OE1 3.85Å; R69-E75 IonicContact NE-OE1 2.88Å; R69-E75 IonicContact NH1-OE1 3.65Å; R69-E75 PolarHBondContact NH1-OE1 2.71Å | ||
| 70 | D | 67.3 | Low | 85.6 | Confident | 120 Ų | 120 | 43.4 Ų | 43.4 | 64% | 0.642 | 26% | 0.258 | S | S | * | . | trans | -103 | 139 | 173.1 | -57 | -13 | 0 | 0 | 0 | 107.3 | N60 | N60-D70 WeakPolarHBondContact CB-OD1 3.48Å; N60-D70 PolarHBondContact ND2-OD1 3.43Å | ||
| 71 | G | 68.3 | Low | 85.4 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.2 | 153 | -173.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | G58 S73 | G58-G71 PolarHBondContact N-O 2.66Å; G58-G71 VanDerWaalsContact N-O 3.16Å; G71-S73 VanDerWaalsContact C-N 3.32Å |
| 72 | T | 74.1 | Confident | 85.4 | Confident | 30 Ų | 30 | 49 Ų | 49 | 18% | 0.184 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -9 | 173.3 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | G13 I14 G15 R18 | G13-T72 CarbonylContact C-O 3.54Å; G13-T72 WeakPolarHBondContact CA-O 3.4Å; I14-T72 PolarHBondContact N-O 3.32Å; G15-T72 PolarHBondContact N-O 2.64Å; G15-T72 PolarHBondContact O-OG1 3.02Å; R18-T72 HydrophobicContact CG-CG2 4.4Å |
| 73 | S | 83.1 | Confident | 85.5 | Confident | 54 Ų | 54 | 50 Ų | 50 | 38% | 0.378 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.9 | 178.6 | 54.4 | 0 | 0 | 0 | 0 | 111 | G71 E75 | G71-S73 VanDerWaalsContact C-N 3.32Å; S73-E75 PolarHBondContact O-N 2.72Å |
| 74 | P | 88 | Confident | 85.7 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 10% | 0.104 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 129.1 | 175.5 | -22.9 | 34.1 | 0 | 0 | 0 | 113.2 | G13 V29 F30 F47 T56 C57 | G13-P74 WeakPolarHBondContact O-CD 3.33Å; V29-P74 HydrophobicContact CG1-CB 4.4Å; V29-P74 HydrophobicContact CG1-CG 4Å; F30-P74 HydrophobicContact CE1-CB 4.44Å; F30-P74 HydrophobicContact CE2-CB 4.05Å; F30-P74 HydrophobicContact CE2-CG 3.9Å; F30-P74 HydrophobicContact CZ-CB 3.49Å; F30-P74 VanDerWaalsContact CZ-CB 3.49Å; F30-P74 HydrophobicContact CZ-CG 3.87Å; F47-P74 HydrophobicContact CD2-CB 4.06Å; F47-P74 HydrophobicContact CD2-CG 4.2Å; F47-P74 HydrophobicContact CE2-CB 4.09Å; F47-P74 HydrophobicContact CE2-CG 3.79Å; F47-P74 HydrophobicContact CZ-CG 4.44Å; T56-P74 WeakPolarHBondContact O-CA 3.48Å; C57-P74 HydrophobicContact CB-CG 4.49Å |
| 75 | E | 89.9 | Confident | 85.9 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 151.5 | 178.9 | -70.9 | -163.6 | 143.3 | 0 | 0 | 112.3 | Y55 T56 H67 R69 S73 | Y55-E75 CarbonylContact C-O 3.55Å; Y55-E75 WeakPolarHBondContact CA-O 3.23Å; T56-E75 PolarHBondContact N-O 3.49Å; T56-E75 PolarHBondContact O-N 2.96Å; H67-E75 IonicContact CE1-OE2 2.86Å; H67-E75 PolarHBondContact CE1-OE2 2.81Å; H67-E75 IonicContact ND1-OE2 2.82Å; H67-E75 IonicContact NE2-OE2 3.95Å; R69-E75 WeakPolarHBondContact CB-OE2 3.36Å; R69-E75 VanDerWaalsContact CD-CD 3.4Å; R69-E75 WeakPolarHBondContact CD-OE1 3.44Å; R69-E75 WeakPolarHBondContact CD-OE2 3.44Å; R69-E75 IonicContact CZ-OE1 3.85Å; R69-E75 IonicContact NE-OE1 2.88Å; R69-E75 IonicContact NH1-OE1 3.65Å; R69-E75 PolarHBondContact NH1-OE1 2.71Å; S73-E75 PolarHBondContact O-N 2.72Å |
| 76 | L | 91.1 | Very high | 86 | Confident | 60 Ų | 60 | 57 Ų | 57 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 133.3 | -175.8 | -179.3 | 69.2 | 0 | 0 | 0 | 111.3 | Y55 G78 | Y55-L76 HydrophobicContact CD1-CB 4.2Å; Y55-L76 HydrophobicContact CD2-CD1 4.28Å; Y55-L76 HydrophobicContact CE1-CB 3.72Å; Y55-L76 HydrophobicContact CE1-CD1 4.33Å; Y55-L76 HydrophobicContact CE2-CD1 3.78Å; L76-G78 PolarHBondContact O-N 2.96Å |
| 77 | V | 92.5 | Very high | 86.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | trans | -80.7 | 83.1 | 170 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | V54 T56 L65 A79 L80 P127 | V54-V77 HydrophobicContact CG1-CG2 4.23Å; V54-V77 PolarHBondContact O-N 2.86Å; T56-V77 HydrophobicContact CG2-CG2 3.59Å; L65-V77 WeakPolarHBondContact O-CG2 3.3Å; V77-A79 PolarHBondContact O-N 3.34Å; V77-L80 HydrophobicContact CG1-CD1 4.1Å; V77-L80 HydrophobicContact CG1-CG 4.13Å; V77-L80 PolarHBondContact O-N 2.95Å; V77-P127 HydrophobicContact CG1-CG 3.64Å | ||
| 78 | G | 88.1 | Confident | 86.7 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -57.2 | -23 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | L76 L80 D81 | L76-G78 PolarHBondContact O-N 2.96Å; G78-L80 PolarHBondContact O-N 3.44Å; G78-D81 WeakPolarHBondContact O-CB 3.46Å; G78-D81 PolarHBondContact O-N 3.39Å |
| 79 | A | 89.5 | Confident | 87.3 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -66.7 | -23.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V77 I126 P127 | V77-A79 PolarHBondContact O-N 3.34Å; A79-I126 HydrophobicContact CB-CG2 3.88Å; A79-P127 HydrophobicContact CB-CG 4.12Å |
| 80 | L | 90.9 | Very high | 88 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -99.6 | -0.5 | 179.2 | -63.9 | 175.9 | 0 | 0 | 0 | 112.9 | V54 V77 G78 T82 Q83 I85 A97 F105 W107 P127 | V54-L80 HydrophobicContact CB-CD1 4.5Å; V54-L80 HydrophobicContact CG2-CD1 4.4Å; V77-L80 HydrophobicContact CG1-CD1 4.1Å; V77-L80 HydrophobicContact CG1-CG 4.13Å; V77-L80 PolarHBondContact O-N 2.95Å; G78-L80 PolarHBondContact O-N 3.44Å; L80-T82 PolarHBondContact O-N 2.92Å; L80-T82 VanDerWaalsContact O-N 3.16Å; L80-Q83 WeakPolarHBondContact O-CA 3.28Å; L80-Q83 WeakPolarHBondContact O-CB 3.29Å; L80-Q83 PolarHBondContact O-N 2.97Å; L80-I85 HydrophobicContact CB-CG1 4.42Å; L80-I85 HydrophobicContact CD2-CD1 4.41Å; L80-A97 HydrophobicContact CD1-CB 4.15Å; L80-F105 HydrophobicContact CD2-CB 4.05Å; L80-F105 HydrophobicContact CD2-CD1 3.99Å; L80-F105 HydrophobicContact CD2-CD2 4.22Å; L80-F105 HydrophobicContact CD2-CG 3.82Å; L80-W107 HydrophobicContact CD1-CH2 3.76Å; L80-W107 HydrophobicContact CD1-CZ3 3.96Å; L80-P127 HydrophobicContact CD1-CB 4.33Å; L80-P127 HydrophobicContact CD1-CG 4.12Å; L80-P127 HydrophobicContact CD2-CB 3.74Å; L80-P127 HydrophobicContact CD2-CG 4.26Å; L80-P127 HydrophobicContact CG-CB 3.98Å; L80-P127 HydrophobicContact CG-CG 3.93Å |
| 81 | D | 85.7 | Confident | 89.3 | Confident | 95 Ų | 95 | 39.4 Ų | 39.4 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.3 | -171.4 | -165.2 | 50.9 | 0 | 0 | 0 | 113.6 | G78 Q83 | G78-D81 WeakPolarHBondContact O-CB 3.46Å; G78-D81 PolarHBondContact O-N 3.39Å; D81-Q83 VanDerWaalsContact C-N 3.29Å; D81-Q83 PolarHBondContact O-N 3.37Å |
| 82 | T | 87.1 | Confident | 90.4 | Very high | 123 Ų | 123 | 44.9 Ų | 44.9 | 76% | 0.755 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7.3 | 175.3 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | L80 | L80-T82 PolarHBondContact O-N 2.92Å; L80-T82 VanDerWaalsContact O-N 3.16Å |
| 83 | Q | 91.6 | Very high | 91.3 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -112 | 130.1 | -175.9 | -58.1 | -60.9 | -49.5 | 0 | 0 | 109.4 | L80 D81 I85 N99 F105 | L80-Q83 WeakPolarHBondContact O-CA 3.28Å; L80-Q83 WeakPolarHBondContact O-CB 3.29Å; L80-Q83 PolarHBondContact O-N 2.97Å; D81-Q83 VanDerWaalsContact C-N 3.29Å; D81-Q83 PolarHBondContact O-N 3.37Å; Q83-I85 HydrophobicContact CB-CD1 3.98Å; Q83-I85 PolarHBondContact O-N 3.46Å; Q83-N99 HydrophobicContact CB-CB 4.47Å; Q83-N99 PolarHBondContact OE1-ND2 2.98Å; Q83-N99 VanDerWaalsContact OE1-ND2 3.1Å; Q83-F105 HydrophobicContact CG-CE2 4.38Å; Q83-F105 HydrophobicContact CG-CZ 3.98Å |
| 84 | K | 93.4 | Very high | 91.9 | Very high | 98 Ų | 98 | 41.9 Ų | 41.9 | 43% | 0.426 | 24% | 0.237 | S | C | . | . | trans | -82 | 102.4 | 174.3 | -169.5 | 161.4 | 171.5 | -143.7 | 0 | 109.8 | N99 E100 | K84-N99 CarbonylContact O-C 3.24Å; K84-N99 VanDerWaalsContact O-CA 3.26Å; K84-N99 WeakPolarHBondContact O-CA 3.49Å; K84-E100 HydrophobicContact CB-CG 4.12Å; K84-E100 VanDerWaalsContact CD-CD 3.42Å; K84-E100 HydrophobicContact CD-CG 4.35Å; K84-E100 WeakPolarHBondContact CD-OE1 3.22Å; K84-E100 WeakPolarHBondContact CE-OE1 3.38Å; K84-E100 HydrophobicContact CG-CG 4.02Å; K84-E100 IonicContact NZ-OE1 2.99Å; K84-E100 PolarHBondContact NZ-OE1 2.9Å; K84-E100 IonicContact NZ-OE2 3.69Å; K84-E100 PolarHBondContact O-N 3.35Å | ||
| 85 | I | 95.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 135.9 | -177.4 | -55.7 | -53.9 | 0 | 0 | 0 | 110.8 | L48 G52 V54 L80 Q83 M87 V88 A97 I98 N99 | L48-I85 HydrophobicContact CD1-CB 3.88Å; L48-I85 HydrophobicContact CD1-CG2 3.83Å; L48-I85 HydrophobicContact CD2-CG2 4.5Å; G52-I85 WeakPolarHBondContact CA-O 3.36Å; G52-I85 WeakPolarHBondContact O-CB 3.37Å; G52-I85 PolarHBondContact O-N 3.27Å; V54-I85 HydrophobicContact CG2-CB 3.84Å; V54-I85 HydrophobicContact CG2-CG1 3.76Å; V54-I85 HydrophobicContact CG2-CG2 3.83Å; L80-I85 HydrophobicContact CB-CG1 4.42Å; L80-I85 HydrophobicContact CD2-CD1 4.41Å; Q83-I85 HydrophobicContact CB-CD1 3.98Å; Q83-I85 PolarHBondContact O-N 3.46Å; I85-M87 WeakPolarHBondContact CG2-O 3.37Å; I85-V88 HydrophobicContact CG2-CG1 3.99Å; I85-A97 HydrophobicContact CD1-CB 4.23Å; I85-A97 HydrophobicContact CG2-CB 3.9Å; I85-I98 CarbonylContact C-O 3.57Å; I85-I98 WeakPolarHBondContact CA-O 3.43Å; I85-I98 WeakPolarHBondContact CG2-O 3.41Å; I85-N99 HydrophobicContact CD1-CB 4.15Å |
| 86 | T | 92.8 | Very high | 92.5 | Very high | 46 Ų | 46 | 39 Ų | 39 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -30.9 | -178.6 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | K36 L48 I98 N99 E100 | K36-T86 PolarHBondContact NZ-O 2.91Å; L48-T86 WeakPolarHBondContact CD2-O 3.16Å; T86-I98 PolarHBondContact N-O 3.34Å; T86-I98 PolarHBondContact OG1-O 3.14Å; T86-N99 PolarHBondContact OG1-O 3.4Å; T86-E100 HydrophobicContact CG2-CB 4.15Å; T86-E100 HydrophobicContact CG2-CG 3.4Å |
| 87 | M | 94.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 18% | 0.177 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 148 | -177.7 | 180 | 179.3 | -67.7 | 0 | 0 | 110.6 | I85 A97 I98 Q140 | I85-M87 WeakPolarHBondContact CG2-O 3.37Å; M87-A97 WeakPolarHBondContact O-CA 3.44Å; M87-I98 HydrophobicContact CB-CB 4.35Å; M87-I98 HydrophobicContact CB-CD1 4.28Å; M87-I98 HydrophobicContact CG-CD1 4.47Å; M87-I98 PolarHBondContact O-N 3.27Å; M87-I98 HydrophobicContact SD-CD1 3.97Å; M87-Q140 HydrophobicContact CE-CB 4.5Å; M87-Q140 HydrophobicContact CE-CG 4.25Å; M87-Q140 HydrophobicContact SD-CB 4.43Å |
| 88 | V | 95.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 146.7 | 173.5 | -70.9 | 0 | 0 | 0 | 0 | 110.7 | E37 A39 L46 L48 V54 I85 M96 A97 | E37-V88 HydrophobicContact CG-CG2 4.45Å; A39-V88 HydrophobicContact CB-CB 4.28Å; A39-V88 HydrophobicContact CB-CG2 3.75Å; L46-V88 HydrophobicContact CB-CB 4.45Å; L46-V88 HydrophobicContact CB-CG2 4.38Å; L46-V88 HydrophobicContact CD2-CB 4.05Å; L46-V88 HydrophobicContact CD2-CG1 4.25Å; L48-V88 HydrophobicContact CB-CG1 4.38Å; L48-V88 HydrophobicContact CB-CG2 3.97Å; V54-V88 HydrophobicContact CG1-CG1 4.28Å; V54-V88 HydrophobicContact CG2-CG1 4.04Å; I85-V88 HydrophobicContact CG2-CG1 3.99Å; V88-M96 WeakPolarHBondContact CA-O 3.42Å; V88-A97 HydrophobicContact CG1-CB 4.19Å |
| 89 | S | 95.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 6% | 0.056 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.6 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | M96 V141 C143 | S89-M96 PolarHBondContact N-O 3.33Å; S89-M96 PolarHBondContact O-N 2.9Å; S89-V141 WeakPolarHBondContact CB-O 3.3Å; S89-C143 WeakPolarHBondContact OG-CB 3.37Å; S89-C143 PolarHBondContact OG-N 2.74Å; S89-C143 PolarHBondContact OG-SG 3.07Å |
| 90 | C | 94.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 10% | 0.095 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.7 | -177.4 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | A39 C143 | A39-C90 PolarHBondContact O-SG 3.49Å; C90-C143 VanDerWaalsContact C-CB 3.44Å |
| 91 | G | 93.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | trans | -97.1 | -158.9 | 166 | 0 | 0 | 0 | 0 | 0 | 111.6 | G41 G42 A93 H94 C143 G144 | G41-G91 VanDerWaalsContact CA-O 3.23Å; G41-G91 WeakPolarHBondContact CA-O 3.39Å; G42-G91 PolarHBondContact N-O 3.36Å; G91-A93 PolarHBondContact O-N 3.16Å; G91-H94 PolarHBondContact N-O 2.93Å; G91-C143 VanDerWaalsContact N-CB 3.31Å; G91-G144 WeakPolarHBondContact CA-O 3.4Å | ||
| 92 | R | 91.9 | Very high | 93.3 | Very high | 139 Ų | 139 | 36.4 Ų | 36.4 | 53% | 0.525 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -59.5 | -46.2 | -179.5 | -177.1 | 170.5 | 179.5 | 145.7 | -0.7 | 113.5 | G42 N145 | G42-R92 PolarHBondContact N-O 3.04Å; R92-N145 HydrophobicContact CB-CB 4.27Å; R92-N145 WeakPolarHBondContact CB-O 3.2Å |
| 93 | A | 93.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 17% | 0.174 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -147.1 | 25.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q64 G91 A109 | Q64-A93 WeakPolarHBondContact CB-O 3.37Å; G91-A93 PolarHBondContact O-N 3.16Å; A93-A109 HydrophobicContact CB-CB 4.06Å; A93-A109 WeakPolarHBondContact O-CB 3.22Å; A93-A109 PolarHBondContact O-N 3.47Å |
| 94 | H | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 162.5 | 176.9 | 70.1 | -82 | 0 | 0 | 0 | 110.1 | G91 W107 Q114 L115 C143 G144 C148 | G91-H94 PolarHBondContact N-O 2.93Å; H94-W107 WeakPolarHBondContact CA-O 3.42Å; H94-Q114 HydrophobicContact CB-CG 4.21Å; H94-L115 HydrophobicContact CB-CD2 4Å; H94-C143 WeakPolarHBondContact NE2-CB 3.32Å; H94-G144 PolarHBondContact CE1-O 3.39Å; H94-C148 PolarHBondContact NE2-SG 3.4Å |
| 95 | S | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 145.8 | -169.9 | -62 | 0 | 0 | 0 | 0 | 110.2 | H44 Q64 A106 W107 | H44-S95 PolarHBondContact NE2-OG 3.37Å; Q64-S95 PolarHBondContact O-OG 3.5Å; S95-A106 WeakPolarHBondContact O-CA 3.34Å; S95-W107 PolarHBondContact N-O 2.73Å; S95-W107 PolarHBondContact O-N 3.13Å |
| 96 | M | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 150 | 178.1 | -65.7 | -168.5 | 173.2 | 0 | 0 | 111.9 | V88 S89 V104 F105 A106 Q114 V141 C143 C148 W160 | V88-M96 WeakPolarHBondContact CA-O 3.42Å; S89-M96 PolarHBondContact N-O 3.33Å; S89-M96 PolarHBondContact O-N 2.9Å; M96-V104 HydrophobicContact SD-CG1 4.49Å; M96-F105 CarbonylContact C-O 3.56Å; M96-F105 VanDerWaalsContact CA-O 3.23Å; M96-F105 WeakPolarHBondContact CA-O 3.43Å; M96-A106 HydrophobicContact CE-CB 4Å; M96-A106 HydrophobicContact CG-CB 4.19Å; M96-Q114 WeakPolarHBondContact CE-O 3.23Å; M96-V141 HydrophobicContact CB-CG1 4.2Å; M96-V141 HydrophobicContact CB-CG2 4.45Å; M96-V141 HydrophobicContact SD-CG2 3.57Å; M96-V141 VanDerWaalsContact SD-CG2 3.57Å; M96-C143 VanDerWaalsContact SD-SG 3.69Å; M96-C148 HydrophobicContact CE-CB 3.86Å; M96-C148 WeakPolarHBondContact CE-SG 3.41Å; M96-C148 HydrophobicContact SD-CB 4.12Å; M96-C148 VanDerWaalsContact SD-SG 3.6Å; M96-W160 HydrophobicContact CE-CZ2 3.64Å; M96-W160 HydrophobicContact SD-CZ2 3.82Å |
| 97 | A | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L80 I85 M87 V88 V104 F105 W107 | L80-A97 HydrophobicContact CD1-CB 4.15Å; I85-A97 HydrophobicContact CD1-CB 4.23Å; I85-A97 HydrophobicContact CG2-CB 3.9Å; M87-A97 WeakPolarHBondContact O-CA 3.44Å; V88-A97 HydrophobicContact CG1-CB 4.19Å; A97-V104 WeakPolarHBondContact O-CA 3.44Å; A97-F105 PolarHBondContact N-O 3.2Å; A97-F105 PolarHBondContact O-N 2.72Å; A97-W107 HydrophobicContact CB-CH2 3.85Å; A97-W107 HydrophobicContact CB-CZ3 3.88Å |
| 98 | I | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.8 | 175.7 | -55.8 | 172.2 | 0 | 0 | 0 | 109.1 | I85 T86 M87 Q103 V104 I138 V141 | I85-I98 CarbonylContact C-O 3.57Å; I85-I98 WeakPolarHBondContact CA-O 3.43Å; I85-I98 WeakPolarHBondContact CG2-O 3.41Å; T86-I98 PolarHBondContact N-O 3.34Å; T86-I98 PolarHBondContact OG1-O 3.14Å; M87-I98 HydrophobicContact CB-CB 4.35Å; M87-I98 HydrophobicContact CB-CD1 4.28Å; M87-I98 HydrophobicContact CG-CD1 4.47Å; M87-I98 PolarHBondContact O-N 3.27Å; M87-I98 HydrophobicContact SD-CD1 3.97Å; I98-Q103 WeakPolarHBondContact CA-O 3.48Å; I98-V104 HydrophobicContact CG1-CG2 4.35Å; I98-I138 HydrophobicContact CD1-CG2 3.9Å; I98-V141 HydrophobicContact CD1-CB 3.84Å; I98-V141 HydrophobicContact CD1-CG1 3.54Å; I98-V141 HydrophobicContact CG1-CB 4.32Å; I98-V141 HydrophobicContact CG1-CG1 3.7Å |
| 99 | N | 94.3 | Very high | 94 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 176.8 | 173 | 71 | 3.9 | 0 | 0 | 0 | 113.1 | Q83 K84 I85 T86 Q101 G102 Q103 F105 | Q83-N99 HydrophobicContact CB-CB 4.47Å; Q83-N99 PolarHBondContact OE1-ND2 2.98Å; Q83-N99 VanDerWaalsContact OE1-ND2 3.1Å; K84-N99 CarbonylContact O-C 3.24Å; K84-N99 VanDerWaalsContact O-CA 3.26Å; K84-N99 WeakPolarHBondContact O-CA 3.49Å; I85-N99 HydrophobicContact CD1-CB 4.15Å; T86-N99 PolarHBondContact OG1-O 3.4Å; N99-Q101 PolarHBondContact ND2-OE1 3.2Å; N99-Q101 VanDerWaalsContact ND2-OE1 3.12Å; N99-Q101 PolarHBondContact O-N 3.29Å; N99-Q101 PolarHBondContact OD1-N 3.11Å; N99-Q101 PolarHBondContact OD1-OE1 3.13Å; N99-G102 PolarHBondContact O-N 3.04Å; N99-G102 PolarHBondContact OD1-N 2.81Å; N99-G102 VanDerWaalsContact OD1-N 3.16Å; N99-Q103 PolarHBondContact N-O 2.81Å; N99-Q103 VanDerWaalsContact N-O 3.11Å; N99-Q103 PolarHBondContact ND2-OE1 3.32Å; N99-Q103 WeakPolarHBondContact OD1-CB 3.3Å; N99-Q103 PolarHBondContact OD1-N 2.79Å; N99-F105 HydrophobicContact CB-CE2 4.19Å |
| 100 | E | 90.4 | Very high | 93.7 | Very high | 88 Ų | 88 | 23 Ų | 23 | 41% | 0.411 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.1 | 178.7 | -74.9 | -173 | 157.4 | 0 | 0 | 114.3 | K84 T86 G102 | K84-E100 HydrophobicContact CB-CG 4.12Å; K84-E100 VanDerWaalsContact CD-CD 3.42Å; K84-E100 HydrophobicContact CD-CG 4.35Å; K84-E100 WeakPolarHBondContact CD-OE1 3.22Å; K84-E100 WeakPolarHBondContact CE-OE1 3.38Å; K84-E100 HydrophobicContact CG-CG 4.02Å; K84-E100 IonicContact NZ-OE1 2.99Å; K84-E100 PolarHBondContact NZ-OE1 2.9Å; K84-E100 IonicContact NZ-OE2 3.69Å; K84-E100 PolarHBondContact O-N 3.35Å; T86-E100 HydrophobicContact CG2-CB 4.15Å; T86-E100 HydrophobicContact CG2-CG 3.4Å; E100-G102 VanDerWaalsContact C-N 3.26Å; E100-G102 PolarHBondContact O-N 3.08Å |
| 101 | Q | 88.1 | Confident | 93.3 | Very high | 115 Ų | 115 | 29.4 Ų | 29.4 | 54% | 0.537 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -9.5 | 176.9 | -62.5 | 75.8 | 16.7 | 0 | 0 | 112.8 | N99 Q103 | N99-Q101 PolarHBondContact ND2-OE1 3.2Å; N99-Q101 VanDerWaalsContact ND2-OE1 3.12Å; N99-Q101 PolarHBondContact O-N 3.29Å; N99-Q101 PolarHBondContact OD1-N 3.11Å; N99-Q101 PolarHBondContact OD1-OE1 3.13Å; Q101-Q103 HydrophobicContact CB-CG 4.3Å |
| 102 | G | 90.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | 83.5 | 19.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N99 E100 I138 | N99-G102 PolarHBondContact O-N 3.04Å; N99-G102 PolarHBondContact OD1-N 2.81Å; N99-G102 VanDerWaalsContact OD1-N 3.16Å; E100-G102 VanDerWaalsContact C-N 3.26Å; E100-G102 PolarHBondContact O-N 3.08Å; G102-I138 WeakPolarHBondContact CA-O 3.05Å; G102-I138 VanDerWaalsContact O-CB 3.3Å; G102-I138 WeakPolarHBondContact O-CB 3.43Å; G102-I138 PolarHBondContact O-N 3.35Å | ||
| 103 | Q | 94.3 | Very high | 92.7 | Very high | 59 Ų | 59 | 23.4 Ų | 23.4 | 28% | 0.276 | 12% | 0.121 | S | C | . | . | trans | -85.9 | 140 | 174.6 | -60.7 | 174.7 | -31.7 | 0 | 0 | 110.8 | I98 N99 Q101 F105 L129 | I98-Q103 WeakPolarHBondContact CA-O 3.48Å; N99-Q103 PolarHBondContact N-O 2.81Å; N99-Q103 VanDerWaalsContact N-O 3.11Å; N99-Q103 PolarHBondContact ND2-OE1 3.32Å; N99-Q103 WeakPolarHBondContact OD1-CB 3.3Å; N99-Q103 PolarHBondContact OD1-N 2.79Å; Q101-Q103 HydrophobicContact CB-CG 4.3Å; Q103-F105 HydrophobicContact CB-CE2 4.35Å; Q103-L129 HydrophobicContact CB-CD1 3.77Å; Q103-L129 HydrophobicContact CG-CD1 4.43Å | ||
| 104 | V | 96.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.6 | -175.2 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | M96 A97 I98 V130 L133 I138 | M96-V104 HydrophobicContact SD-CG1 4.49Å; A97-V104 WeakPolarHBondContact O-CA 3.44Å; I98-V104 HydrophobicContact CG1-CG2 4.35Å; V104-V130 HydrophobicContact CB-CB 4.38Å; V104-V130 HydrophobicContact CB-CG2 4.41Å; V104-V130 HydrophobicContact CG1-CG2 4.23Å; V104-V130 PolarHBondContact O-N 3.28Å; V104-L133 HydrophobicContact CB-CD1 4.15Å; V104-L133 HydrophobicContact CG2-CD1 3.82Å; V104-I138 HydrophobicContact CG2-CB 3.92Å; V104-I138 HydrophobicContact CG2-CG1 3.78Å; V104-I138 HydrophobicContact CG2-CG2 3.96Å |
| 105 | F | 95.9 | Very high | 92.6 | Very high | 22 Ų | 22 | 23 Ų | 23 | 10% | 0.096 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.7 | 172.9 | -60.9 | -93.7 | 0 | 0 | 0 | 110 | L80 Q83 M96 A97 N99 Q103 W107 P127 R128 L129 | L80-F105 HydrophobicContact CD2-CB 4.05Å; L80-F105 HydrophobicContact CD2-CD1 3.99Å; L80-F105 HydrophobicContact CD2-CD2 4.22Å; L80-F105 HydrophobicContact CD2-CG 3.82Å; Q83-F105 HydrophobicContact CG-CE2 4.38Å; Q83-F105 HydrophobicContact CG-CZ 3.98Å; M96-F105 CarbonylContact C-O 3.56Å; M96-F105 VanDerWaalsContact CA-O 3.23Å; M96-F105 WeakPolarHBondContact CA-O 3.43Å; A97-F105 PolarHBondContact N-O 3.2Å; A97-F105 PolarHBondContact O-N 2.72Å; N99-F105 HydrophobicContact CB-CE2 4.19Å; Q103-F105 HydrophobicContact CB-CE2 4.35Å; F105-W107 HydrophobicContact CB-CZ3 4.31Å; F105-P127 HydrophobicContact CB-CB 4.39Å; F105-R128 CarbonylContact C-O 3.14Å; F105-R128 VanDerWaalsContact CA-O 3.31Å; F105-R128 WeakPolarHBondContact CA-O 3.34Å; F105-L129 HydrophobicContact CD1-CB 4.29Å; F105-L129 HydrophobicContact CE1-CB 4.1Å; F105-L129 HydrophobicContact CE1-CD1 4.22Å; F105-L129 HydrophobicContact CZ-CD1 4.19Å |
| 106 | A | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S95 M96 L115 R128 V130 | S95-A106 WeakPolarHBondContact O-CA 3.34Å; M96-A106 HydrophobicContact CE-CB 4Å; M96-A106 HydrophobicContact CG-CB 4.19Å; A106-L115 HydrophobicContact CB-CB 4.33Å; A106-L115 HydrophobicContact CB-CD2 4.21Å; A106-L115 WeakPolarHBondContact CB-O 3.26Å; A106-R128 PolarHBondContact N-O 3.06Å; A106-R128 PolarHBondContact O-N 3.5Å; A106-V130 HydrophobicContact CB-CG2 3.9Å |
| 107 | W | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 168.8 | 175 | 63.9 | 99.4 | 0 | 0 | 0 | 112.2 | L46 Q64 G66 L80 H94 S95 A97 F105 L115 V124 P127 | L46-W107 HydrophobicContact CD2-CH2 4.21Å; L46-W107 HydrophobicContact CD2-CZ2 3.89Å; Q64-W107 PolarHBondContact O-NE1 2.99Å; G66-W107 VanDerWaalsContact CA-CD1 3.49Å; L80-W107 HydrophobicContact CD1-CH2 3.76Å; L80-W107 HydrophobicContact CD1-CZ3 3.96Å; H94-W107 WeakPolarHBondContact CA-O 3.42Å; S95-W107 PolarHBondContact N-O 2.73Å; S95-W107 PolarHBondContact O-N 3.13Å; A97-W107 HydrophobicContact CB-CH2 3.85Å; A97-W107 HydrophobicContact CB-CZ3 3.88Å; F105-W107 HydrophobicContact CB-CZ3 4.31Å; W107-L115 WeakPolarHBondContact O-CD2 3.48Å; W107-V124 HydrophobicContact CB-CG1 4.46Å; W107-V124 WeakPolarHBondContact CB-O 3.42Å; W107-P127 HydrophobicContact CD2-CB 4.13Å; W107-P127 HydrophobicContact CD2-CG 3.73Å; W107-P127 HydrophobicContact CE3-CB 3.62Å; W107-P127 HydrophobicContact CE3-CG 3.68Å; W107-P127 HydrophobicContact CG-CG 4.15Å; W107-P127 HydrophobicContact CZ3-CB 4.1Å; W107-P127 HydrophobicContact CZ3-CG 4.16Å |
| 108 | G | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.4 | -147.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | C62 A123 V124 | C62-G108 CarbonylContact O-C 3.3Å; C62-G108 VanDerWaalsContact O-CA 3.28Å; C62-G108 WeakPolarHBondContact O-CA 3.41Å; G108-A123 CarbonylContact O-C 3.5Å; G108-A123 WeakPolarHBondContact O-CA 3.46Å; G108-V124 PolarHBondContact N-O 3.26Å; G108-V124 PolarHBondContact O-N 3.01Å |
| 109 | A | 93.2 | Very high | 91.2 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 11% | 0.107 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 136.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C62 A93 Q114 L115 A122 | C62-A109 HydrophobicContact CB-CB 3.85Å; A93-A109 HydrophobicContact CB-CB 4.06Å; A93-A109 WeakPolarHBondContact O-CB 3.22Å; A93-A109 PolarHBondContact O-N 3.47Å; A109-Q114 WeakPolarHBondContact O-CG 3.23Å; A109-Q114 PolarHBondContact O-NE2 3.42Å; A109-L115 WeakPolarHBondContact O-CD2 3.1Å; A109-L115 WeakPolarHBondContact O-CG 3.4Å; A109-A122 WeakPolarHBondContact CA-O 3.35Å |
| 110 | G | 89.7 | Confident | 90.4 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | trans | -129.9 | -2.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | G112 G113 Q114 E121 A122 | G110-G112 PolarHBondContact O-N 2.74Å; G110-G112 VanDerWaalsContact O-N 3.11Å; G110-G113 PolarHBondContact O-N 3.03Å; G110-Q114 PolarHBondContact O-OE1 2.88Å; G110-E121 CarbonylContact C-O 3.23Å; G110-E121 VanDerWaalsContact C-O 3.3Å; G110-E121 VanDerWaalsContact CA-O 3.24Å; G110-E121 WeakPolarHBondContact CA-O 3.26Å; G110-A122 PolarHBondContact N-O 2.87Å | ||
| 111 | E | 84.9 | Confident | 90.2 | Very high | 148 Ų | 148 | 33.6 Ų | 33.6 | 69% | 0.692 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.3 | -176.4 | -65 | -173.3 | 168.4 | 0 | 0 | 114.4 | A122 | E111-A122 HydrophobicContact CG-CB 3.74Š|
| 112 | G | 83.3 | Confident | 90 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 17% | 0.165 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 2.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G110 Q114 G161 Q162 | G110-G112 PolarHBondContact O-N 2.74Å; G110-G112 VanDerWaalsContact O-N 3.11Å; G112-Q114 VanDerWaalsContact C-N 3.28Å; G112-Q114 VanDerWaalsContact CA-OE1 3.26Å; G112-Q114 PolarHBondContact O-N 3.29Å; G112-G161 CarbonylContact O-C 3.16Å; G112-G161 WeakPolarHBondContact O-CA 3.3Å; G112-Q162 PolarHBondContact O-N 3.44Å |
| 113 | G | 89.4 | Confident | 89.9 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 78.1 | 5.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G110 L115 G116 | G110-G113 PolarHBondContact O-N 3.03Å; G113-L115 PolarHBondContact O-N 3.38Å; G113-L115 VanDerWaalsContact O-N 3.09Å; G113-G116 PolarHBondContact O-N 3.36Å |
| 114 | Q | 92.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.4 | -174.8 | 63.2 | -91.4 | 63 | 0 | 0 | 114.1 | H94 M96 A109 G110 G112 Q146 W160 | H94-Q114 HydrophobicContact CB-CG 4.21Å; M96-Q114 WeakPolarHBondContact CE-O 3.23Å; A109-Q114 WeakPolarHBondContact O-CG 3.23Å; A109-Q114 PolarHBondContact O-NE2 3.42Å; G110-Q114 PolarHBondContact O-OE1 2.88Å; G112-Q114 VanDerWaalsContact C-N 3.28Å; G112-Q114 VanDerWaalsContact CA-OE1 3.26Å; G112-Q114 PolarHBondContact O-N 3.29Å; Q114-Q146 WeakPolarHBondContact CB-O 3.4Å; Q114-W160 PolarHBondContact O-NE1 3.04Å |
| 115 | L | 92.9 | Very high | 89.5 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -17.9 | 177.3 | -58.4 | 179.9 | 0 | 0 | 0 | 113.3 | H94 A106 W107 A109 G113 L117 V124 | H94-L115 HydrophobicContact CB-CD2 4Å; A106-L115 HydrophobicContact CB-CB 4.33Å; A106-L115 HydrophobicContact CB-CD2 4.21Å; A106-L115 WeakPolarHBondContact CB-O 3.26Å; W107-L115 WeakPolarHBondContact O-CD2 3.48Å; A109-L115 WeakPolarHBondContact O-CD2 3.1Å; A109-L115 WeakPolarHBondContact O-CG 3.4Å; G113-L115 PolarHBondContact O-N 3.38Å; G113-L115 VanDerWaalsContact O-N 3.09Å; L115-L117 HydrophobicContact CB-CD1 4.05Å; L115-L117 HydrophobicContact CB-CG 3.98Å; L115-L117 HydrophobicContact CD1-CD1 4.22Å; L115-L117 PolarHBondContact O-N 3.08Å; L115-V124 HydrophobicContact CD1-CB 3.74Å; L115-V124 HydrophobicContact CD1-CG2 3.48Å; L115-V124 VanDerWaalsContact CD1-CG2 3.48Å |
| 116 | G | 92.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | trans | 70.1 | 10.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G113 G118 W160 L178 P180 | G113-G116 PolarHBondContact O-N 3.36Å; G116-G118 VanDerWaalsContact C-N 3.3Å; G116-G118 PolarHBondContact O-N 3.16Å; G116-W160 VanDerWaalsContact CA-CD1 3.44Å; G116-L178 CarbonylContact C-O 3.56Å; G116-L178 WeakPolarHBondContact CA-O 3.4Å; G116-P180 VanDerWaalsContact O-CD 3.3Å; G116-P180 WeakPolarHBondContact O-CD 3.49Å | ||
| 117 | L | 90.9 | Very high | 89.2 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -80 | -8 | -174.6 | -61.5 | 174.8 | 0 | 0 | 0 | 113.8 | L115 T119 V124 R128 V130 L178 | L115-L117 HydrophobicContact CB-CD1 4.05Å; L115-L117 HydrophobicContact CB-CG 3.98Å; L115-L117 HydrophobicContact CD1-CD1 4.22Å; L115-L117 PolarHBondContact O-N 3.08Å; L117-T119 PolarHBondContact O-N 3.38Å; L117-V124 HydrophobicContact CD1-CG1 4.47Å; L117-V124 HydrophobicContact CD1-CG2 3.99Å; L117-R128 HydrophobicContact CD1-CB 4.09Å; L117-R128 HydrophobicContact CD2-CB 3.9Å; L117-V130 HydrophobicContact CD2-CG2 4.28Å; L117-L178 PolarHBondContact N-O 3.41Å |
| 118 | G | 87.1 | Confident | 89.1 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 38% | 0.381 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 75.5 | 5.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | G116 L178 T179 | G116-G118 VanDerWaalsContact C-N 3.3Å; G116-G118 PolarHBondContact O-N 3.16Å; G118-L178 WeakPolarHBondContact CA-O 3.17Å; G118-L178 PolarHBondContact N-O 2.96Å; G118-T179 VanDerWaalsContact CA-CG2 3.46Å |
| 119 | T | 82.9 | Confident | 89.2 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -110.6 | 153.7 | 174.9 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | L117 E121 | L117-T119 PolarHBondContact O-N 3.38Å; T119-E121 PolarHBondContact O-N 3.39Å; T119-E121 PolarHBondContact OG1-OE1 2.81Å; T119-E121 VanDerWaalsContact OG1-OE1 3.11Å |
| 120 | V | 77.9 | Confident | 89.2 | Confident | 107 Ų | 107 | 48 Ų | 48 | 65% | 0.648 | 27% | 0.265 | S | S | * | . | trans | -94.3 | 33 | 176.1 | -159.7 | 0 | 0 | 0 | 0 | 110.3 | A122 L178 | V120-A122 PolarHBondContact O-N 3.3Å; V120-L178 HydrophobicContact CG2-CD1 3.93Å | ||
| 121 | E | 85.6 | Confident | 89.4 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | trans | -65.9 | 124.8 | 177.7 | -76.6 | 172.6 | -123.7 | 0 | 0 | 109.6 | G110 T119 A123 V124 R128 | G110-E121 CarbonylContact C-O 3.23Å; G110-E121 VanDerWaalsContact C-O 3.3Å; G110-E121 VanDerWaalsContact CA-O 3.24Å; G110-E121 WeakPolarHBondContact CA-O 3.26Å; T119-E121 PolarHBondContact O-N 3.39Å; T119-E121 PolarHBondContact OG1-OE1 2.81Å; T119-E121 VanDerWaalsContact OG1-OE1 3.11Å; E121-A123 VanDerWaalsContact C-N 3.28Å; E121-A123 PolarHBondContact O-N 2.87Å; E121-V124 HydrophobicContact CB-CG2 4.16Å; E121-R128 IonicContact OE1-CZ 2.7Å; E121-R128 IonicContact OE1-NH1 3.49Å; E121-R128 PolarHBondContact OE1-NH1 3.45Å; E121-R128 IonicContact OE1-NH2 2.78Å; E121-R128 IonicContact OE2-CZ 3.84Å; E121-R128 VanDerWaalsContact OE2-CZ 3.26Å; E121-R128 IonicContact OE2-NH1 2.86Å; E121-R128 PolarHBondContact OE2-NH1 3.44Å; E121-R128 IonicContact OE2-NH2 3.8Å; E121-R128 PolarHBondContact OE2-NH2 3.22Å | ||
| 122 | A | 84.8 | Confident | 89.7 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -62.3 | -36.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A109 G110 E111 V120 | A109-A122 WeakPolarHBondContact CA-O 3.35Å; G110-A122 PolarHBondContact N-O 2.87Å; E111-A122 HydrophobicContact CG-CB 3.74Å; V120-A122 PolarHBondContact O-N 3.3Å |
| 123 | A | 89 | Confident | 90.1 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 134.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C62 G108 E121 | C62-A123 VanDerWaalsContact O-CB 3.31Å; C62-A123 WeakPolarHBondContact O-CB 3.22Å; G108-A123 CarbonylContact O-C 3.5Å; G108-A123 WeakPolarHBondContact O-CA 3.46Å; E121-A123 VanDerWaalsContact C-N 3.28Å; E121-A123 PolarHBondContact O-N 2.87Å |
| 124 | V | 91.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 110.3 | 175.2 | 175.2 | 0 | 0 | 0 | 0 | 108.3 | W107 G108 L115 L117 E121 I126 R128 | W107-V124 HydrophobicContact CB-CG1 4.46Å; W107-V124 WeakPolarHBondContact CB-O 3.42Å; G108-V124 PolarHBondContact N-O 3.26Å; G108-V124 PolarHBondContact O-N 3.01Å; L115-V124 HydrophobicContact CD1-CB 3.74Å; L115-V124 HydrophobicContact CD1-CG2 3.48Å; L115-V124 VanDerWaalsContact CD1-CG2 3.48Å; L117-V124 HydrophobicContact CD1-CG1 4.47Å; L117-V124 HydrophobicContact CD1-CG2 3.99Å; E121-V124 HydrophobicContact CB-CG2 4.16Å; V124-I126 WeakPolarHBondContact CG1-O 3.42Å; V124-R128 HydrophobicContact CG1-CG 4.05Å |
| 125 | R | 89.8 | Confident | 89.7 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 50% | 0.502 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -14.5 | -175 | -63.1 | -173.4 | 174.2 | -162.8 | -2.9 | 114.9 | G66 | G66-R125 CarbonylContact C-O 3.18Å; G66-R125 WeakPolarHBondContact CA-O 3.43Å |
| 126 | I | 91.1 | Very high | 89.4 | Confident | 107 Ų | 107 | 66.6 Ų | 66.6 | 55% | 0.549 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.4 | -176.9 | -59.1 | 174.3 | 0 | 0 | 0 | 107.6 | A79 V124 R128 | A79-I126 HydrophobicContact CB-CG2 3.88Å; V124-I126 WeakPolarHBondContact CG1-O 3.42Å; I126-R128 PolarHBondContact O-N 3.05Å |
| 127 | P | 94 | Very high | 89.3 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.3 | 124 | 173.6 | -28.2 | 33.8 | 0 | 0 | 0 | 112.9 | V77 A79 L80 F105 W107 | V77-P127 HydrophobicContact CG1-CG 3.64Å; A79-P127 HydrophobicContact CB-CG 4.12Å; L80-P127 HydrophobicContact CD1-CB 4.33Å; L80-P127 HydrophobicContact CD1-CG 4.12Å; L80-P127 HydrophobicContact CD2-CB 3.74Å; L80-P127 HydrophobicContact CD2-CG 4.26Å; L80-P127 HydrophobicContact CG-CB 3.98Å; L80-P127 HydrophobicContact CG-CG 3.93Å; F105-P127 HydrophobicContact CB-CB 4.39Å; W107-P127 HydrophobicContact CD2-CB 4.13Å; W107-P127 HydrophobicContact CD2-CG 3.73Å; W107-P127 HydrophobicContact CE3-CB 3.62Å; W107-P127 HydrophobicContact CE3-CG 3.68Å; W107-P127 HydrophobicContact CG-CG 4.15Å; W107-P127 HydrophobicContact CZ3-CB 4.1Å; W107-P127 HydrophobicContact CZ3-CG 4.16Å |
| 128 | R | 94.3 | Very high | 89.5 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.5 | 176.4 | -69.2 | -175.8 | -172.1 | 167.2 | 11.8 | 111.2 | F105 A106 L117 E121 V124 I126 | F105-R128 CarbonylContact C-O 3.14Å; F105-R128 VanDerWaalsContact CA-O 3.31Å; F105-R128 WeakPolarHBondContact CA-O 3.34Å; A106-R128 PolarHBondContact N-O 3.06Å; A106-R128 PolarHBondContact O-N 3.5Å; L117-R128 HydrophobicContact CD1-CB 4.09Å; L117-R128 HydrophobicContact CD2-CB 3.9Å; E121-R128 IonicContact OE1-CZ 2.7Å; E121-R128 IonicContact OE1-NH1 3.49Å; E121-R128 PolarHBondContact OE1-NH1 3.45Å; E121-R128 IonicContact OE1-NH2 2.78Å; E121-R128 IonicContact OE2-CZ 3.84Å; E121-R128 VanDerWaalsContact OE2-CZ 3.26Å; E121-R128 IonicContact OE2-NH1 2.86Å; E121-R128 PolarHBondContact OE2-NH1 3.44Å; E121-R128 IonicContact OE2-NH2 3.8Å; E121-R128 PolarHBondContact OE2-NH2 3.22Å; V124-R128 HydrophobicContact CG1-CG 4.05Å; I126-R128 PolarHBondContact O-N 3.05Å |
| 129 | L | 94.7 | Very high | 89.8 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 128.5 | 177.1 | 179.5 | 65 | 0 | 0 | 0 | 111.4 | Q103 F105 K131 | Q103-L129 HydrophobicContact CB-CD1 3.77Å; Q103-L129 HydrophobicContact CG-CD1 4.43Å; F105-L129 HydrophobicContact CD1-CB 4.29Å; F105-L129 HydrophobicContact CE1-CB 4.1Å; F105-L129 HydrophobicContact CE1-CD1 4.22Å; F105-L129 HydrophobicContact CZ-CD1 4.19Å; L129-K131 PolarHBondContact O-N 2.92Å; L129-K131 VanDerWaalsContact O-N 3.07Å |
| 130 | V | 94.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | trans | -80.6 | 85.7 | 174.2 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | V104 A106 L117 R132 L133 P180 | V104-V130 HydrophobicContact CB-CB 4.38Å; V104-V130 HydrophobicContact CB-CG2 4.41Å; V104-V130 HydrophobicContact CG1-CG2 4.23Å; V104-V130 PolarHBondContact O-N 3.28Å; A106-V130 HydrophobicContact CB-CG2 3.9Å; L117-V130 HydrophobicContact CD2-CG2 4.28Å; V130-R132 PolarHBondContact O-N 3.11Å; V130-L133 HydrophobicContact CB-CD1 4.47Å; V130-L133 HydrophobicContact CG1-CD1 4.04Å; V130-L133 HydrophobicContact CG1-CG 4.17Å; V130-L133 PolarHBondContact O-N 3.16Å; V130-P180 HydrophobicContact CG1-CG 3.58Å | ||
| 131 | K | 92.2 | Very high | 91.3 | Very high | 172 Ų | 172 | 58.5 Ų | 58.5 | 75% | 0.748 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -52.3 | -33.3 | -170.9 | -65 | -176.3 | 179.5 | -179 | 0 | 115 | L129 L133 C134 | L129-K131 PolarHBondContact O-N 2.92Å; L129-K131 VanDerWaalsContact O-N 3.07Å; K131-L133 PolarHBondContact O-N 3Å; K131-C134 WeakPolarHBondContact O-CB 3.31Å; K131-C134 PolarHBondContact O-N 2.99Å |
| 132 | R | 91.8 | Very high | 91.8 | Very high | 175 Ų | 175 | 57.9 Ų | 57.9 | 66% | 0.66 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -66.7 | -17.8 | -179 | -73.6 | -71.4 | -168.6 | 175.1 | 1.6 | 114.1 | V130 T179 P180 | V130-R132 PolarHBondContact O-N 3.11Å; R132-T179 HydrophobicContact CG-CG2 4.47Å; R132-P180 HydrophobicContact CB-CG 4.45Å |
| 133 | L | 92.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -99.2 | -2.7 | 177.8 | -63.7 | 174.4 | 0 | 0 | 0 | 112.5 | V104 V130 K131 D135 H136 I138 F158 W160 P180 | V104-L133 HydrophobicContact CB-CD1 4.15Å; V104-L133 HydrophobicContact CG2-CD1 3.82Å; V130-L133 HydrophobicContact CB-CD1 4.47Å; V130-L133 HydrophobicContact CG1-CD1 4.04Å; V130-L133 HydrophobicContact CG1-CG 4.17Å; V130-L133 PolarHBondContact O-N 3.16Å; K131-L133 PolarHBondContact O-N 3Å; L133-D135 PolarHBondContact O-N 3.31Å; L133-H136 CarbonylContact O-C 3.42Å; L133-H136 PolarHBondContact O-N 3.18Å; L133-I138 HydrophobicContact CB-CD1 4.49Å; L133-I138 HydrophobicContact CB-CG1 4.18Å; L133-I138 HydrophobicContact CD1-CG1 4.42Å; L133-I138 HydrophobicContact CD2-CD1 4.19Å; L133-F158 HydrophobicContact CD2-CB 4.09Å; L133-F158 HydrophobicContact CD2-CD1 3.96Å; L133-F158 HydrophobicContact CD2-CD2 3.94Å; L133-F158 HydrophobicContact CD2-CE1 4.39Å; L133-F158 HydrophobicContact CD2-CE2 4.38Å; L133-F158 HydrophobicContact CD2-CG 3.71Å; L133-W160 HydrophobicContact CD1-CH2 3.91Å; L133-W160 HydrophobicContact CD1-CZ3 4.17Å; L133-P180 HydrophobicContact CD1-CB 4.26Å; L133-P180 HydrophobicContact CD1-CG 3.86Å; L133-P180 HydrophobicContact CD2-CB 3.67Å; L133-P180 HydrophobicContact CD2-CG 4.1Å; L133-P180 HydrophobicContact CG-CB 3.94Å; L133-P180 HydrophobicContact CG-CG 3.78Å |
| 134 | C | 88.5 | Confident | 92.6 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -28.2 | -175.9 | -69.7 | 0 | 0 | 0 | 0 | 113.9 | K131 H136 | K131-C134 WeakPolarHBondContact O-CB 3.31Å; K131-C134 PolarHBondContact O-N 2.99Å; C134-H136 PolarHBondContact O-N 3.04Å |
| 135 | D | 84.6 | Confident | 92.7 | Very high | 129 Ų | 129 | 55.3 Ų | 55.3 | 69% | 0.69 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -2.8 | 178.4 | -55.8 | -34.4 | 0 | 0 | 0 | 112.3 | L133 | L133-D135 PolarHBondContact O-N 3.31Š|
| 136 | H | 87.6 | Confident | 92.9 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 22% | 0.222 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -124.4 | 127.5 | -178.5 | -59.6 | -79.3 | 0 | 0 | 0 | 110 | L133 C134 I138 Q156 F158 | L133-H136 CarbonylContact O-C 3.42Å; L133-H136 PolarHBondContact O-N 3.18Å; C134-H136 PolarHBondContact O-N 3.04Å; H136-I138 HydrophobicContact CB-CD1 4.01Å; H136-I138 PolarHBondContact O-N 3.45Å; H136-I138 VanDerWaalsContact O-N 3.08Å; H136-Q156 PolarHBondContact CE1-OE1 3.02Å; H136-Q156 PolarHBondContact ND1-OE1 3.22Å; H136-F158 HydrophobicContact CB-CE2 4.33Å; H136-F158 HydrophobicContact CB-CZ 4.46Å; H136-F158 AromaticContact CD2-CZ 3.58Å; H136-F158 AromaticContact CE1-CZ 3.74Å; H136-F158 AromaticContact CG-CZ 3.72Å; H136-F158 AromaticContact ND1-CZ 3.81Å; H136-F158 AromaticContact NE2-CZ 3.59Å |
| 137 | S | 90.3 | Very high | 93.1 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | trans | -76 | 101.3 | 174.5 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | S152 R153 | S137-S152 CarbonylContact O-C 3.5Å; S137-S152 WeakPolarHBondContact O-CA 3.38Å; S137-R153 PolarHBondContact O-N 2.95Å; S137-R153 WeakPolarHBondContact OG-CD 3.27Å | ||
| 138 | I | 94.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 131.3 | -178.8 | -54.8 | -53.2 | 0 | 0 | 0 | 111 | I98 G102 V104 L133 H136 Q140 A150 L151 F158 | I98-I138 HydrophobicContact CD1-CG2 3.9Å; G102-I138 WeakPolarHBondContact CA-O 3.05Å; G102-I138 VanDerWaalsContact O-CB 3.3Å; G102-I138 WeakPolarHBondContact O-CB 3.43Å; G102-I138 PolarHBondContact O-N 3.35Å; V104-I138 HydrophobicContact CG2-CB 3.92Å; V104-I138 HydrophobicContact CG2-CG1 3.78Å; V104-I138 HydrophobicContact CG2-CG2 3.96Å; L133-I138 HydrophobicContact CB-CD1 4.49Å; L133-I138 HydrophobicContact CB-CG1 4.18Å; L133-I138 HydrophobicContact CD1-CG1 4.42Å; L133-I138 HydrophobicContact CD2-CD1 4.19Å; H136-I138 HydrophobicContact CB-CD1 4.01Å; H136-I138 PolarHBondContact O-N 3.45Å; H136-I138 VanDerWaalsContact O-N 3.08Å; I138-Q140 WeakPolarHBondContact CG2-O 3.39Å; I138-A150 HydrophobicContact CG2-CB 3.99Å; I138-L151 WeakPolarHBondContact CG2-O 3.43Å; I138-F158 HydrophobicContact CD1-CD2 4.37Å; I138-F158 HydrophobicContact CD1-CE2 4.47Å |
| 139 | S | 93.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -34.4 | 177.8 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | L151 S394 | S139-L151 PolarHBondContact N-O 3.37Å; S139-L151 PolarHBondContact OG-O 3.27Å; S139-L151 VanDerWaalsContact OG-O 3.1Å; S139-S394 WeakPolarHBondContact CB-O 3.24Å; S139-S394 PolarHBondContact OG-O 3.4Å |
| 140 | Q | 95.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 9% | 0.089 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 143.9 | -179.5 | -55.3 | -178.7 | 6.5 | 0 | 0 | 111.2 | M87 I138 A150 L151 A192 I194 | M87-Q140 HydrophobicContact CE-CB 4.5Å; M87-Q140 HydrophobicContact CE-CG 4.25Å; M87-Q140 HydrophobicContact SD-CB 4.43Å; I138-Q140 WeakPolarHBondContact CG2-O 3.39Å; Q140-A150 CarbonylContact O-C 3.08Å; Q140-A150 VanDerWaalsContact O-CA 3.24Å; Q140-A150 WeakPolarHBondContact O-CA 3.38Å; Q140-L151 HydrophobicContact CB-CB 4.25Å; Q140-L151 PolarHBondContact N-O 3.11Å; Q140-L151 PolarHBondContact O-N 3.34Å; Q140-A192 PolarHBondContact NE2-O 3.44Å; Q140-I194 HydrophobicContact CB-CD1 3.92Å; Q140-I194 HydrophobicContact CB-CG1 3.97Å; Q140-I194 VanDerWaalsContact OE1-N 3.15Å |
| 141 | V | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 134.3 | 169 | 68.4 | 0 | 0 | 0 | 0 | 109 | S89 M96 I98 I149 A150 W160 | S89-V141 WeakPolarHBondContact CB-O 3.3Å; M96-V141 HydrophobicContact CB-CG1 4.2Å; M96-V141 HydrophobicContact CB-CG2 4.45Å; M96-V141 HydrophobicContact SD-CG2 3.57Å; M96-V141 VanDerWaalsContact SD-CG2 3.57Å; I98-V141 HydrophobicContact CD1-CB 3.84Å; I98-V141 HydrophobicContact CD1-CG1 3.54Å; I98-V141 HydrophobicContact CG1-CB 4.32Å; I98-V141 HydrophobicContact CG1-CG1 3.7Å; V141-I149 CarbonylContact C-O 3.57Å; V141-I149 WeakPolarHBondContact CA-O 3.46Å; V141-A150 HydrophobicContact CB-CB 4.49Å; V141-A150 HydrophobicContact CG2-CB 4.3Å; V141-W160 HydrophobicContact CG2-CH2 4.28Å |
| 142 | M | 96.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 30.7 Ų | 30.7 | 26% | 0.261 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.9 | 176.7 | -63.7 | -67 | 162.3 | 0 | 0 | 110 | C148 I149 I194 A196 | M142-C148 WeakPolarHBondContact O-CA 3.48Å; M142-I149 HydrophobicContact CB-CD1 4.24Å; M142-I149 HydrophobicContact CB-CG1 3.85Å; M142-I149 PolarHBondContact N-O 3.36Å; M142-I149 PolarHBondContact O-N 3.17Å; M142-I194 HydrophobicContact CB-CG1 4.4Å; M142-I194 HydrophobicContact CG-CD1 4.33Å; M142-I194 HydrophobicContact CG-CG1 3.8Å; M142-I194 WeakPolarHBondContact CG-O 3.16Å; M142-A196 HydrophobicContact CB-CB 4.32Å |
| 143 | C | 95.6 | Very high | 93.7 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.9 | -176.9 | -60.8 | 0 | 0 | 0 | 0 | 109.5 | S89 C90 G91 H94 M96 | S89-C143 WeakPolarHBondContact OG-CB 3.37Å; S89-C143 PolarHBondContact OG-N 2.74Å; S89-C143 PolarHBondContact OG-SG 3.07Å; C90-C143 VanDerWaalsContact C-CB 3.44Å; G91-C143 VanDerWaalsContact N-CB 3.31Å; H94-C143 WeakPolarHBondContact NE2-CB 3.32Å; M96-C143 VanDerWaalsContact SD-SG 3.69Å |
| 144 | G | 94.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | trans | -90.2 | -156.6 | 165 | 0 | 0 | 0 | 0 | 0 | 111.6 | G91 H94 H147 G197 | G91-G144 WeakPolarHBondContact CA-O 3.4Å; H94-G144 PolarHBondContact CE1-O 3.39Å; G144-H147 PolarHBondContact N-O 2.81Å; G144-G197 WeakPolarHBondContact CA-O 3.45Å | ||
| 145 | N | 93.8 | Very high | 93.6 | Very high | 27 Ų | 27 | 25.8 Ų | 25.8 | 14% | 0.144 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -63.7 | -51.4 | 178.6 | -79.2 | -28.3 | 0 | 0 | 0 | 111.9 | R92 G198 D250 | R92-N145 HydrophobicContact CB-CB 4.27Å; R92-N145 WeakPolarHBondContact CB-O 3.2Å; N145-G198 VanDerWaalsContact CB-O 3.28Å; N145-G198 WeakPolarHBondContact CB-O 3.24Å; N145-G198 PolarHBondContact N-O 2.91Å; N145-G198 WeakPolarHBondContact ND2-CA 3.25Å; N145-D250 PolarHBondContact ND2-OD1 3.22Å |
| 146 | Q | 94.3 | Very high | 94 | Very high | 72 Ų | 72 | 23.2 Ų | 23.2 | 34% | 0.336 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -138.9 | 19.4 | -175.1 | -60.7 | -170 | -15 | 0 | 0 | 113 | Q114 Q162 | Q114-Q146 WeakPolarHBondContact CB-O 3.4Å; Q146-Q162 HydrophobicContact CB-CB 3.91Å; Q146-Q162 PolarHBondContact O-N 2.89Å |
| 147 | H | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 165.2 | 175.5 | 71.3 | -68.9 | 0 | 0 | 0 | 110.8 | G144 W160 Q167 L168 H200 S201 | G144-H147 PolarHBondContact N-O 2.81Å; H147-W160 CarbonylContact C-O 3.14Å; H147-W160 VanDerWaalsContact CA-O 3.31Å; H147-W160 WeakPolarHBondContact CA-O 3.23Å; H147-W160 WeakPolarHBondContact CB-O 3.39Å; H147-Q167 HydrophobicContact CB-CG 3.99Å; H147-L168 HydrophobicContact CB-CD2 3.9Å; H147-H200 PolarHBondContact NE2-O 3.21Å; H147-S201 PolarHBondContact CD2-OG 2.83Å; H147-S201 PolarHBondContact NE2-OG 3.16Å |
| 148 | C | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151.8 | 179.1 | -70.8 | 0 | 0 | 0 | 0 | 110.8 | H94 M96 M142 T159 W160 | H94-C148 PolarHBondContact NE2-SG 3.4Å; M96-C148 HydrophobicContact CE-CB 3.86Å; M96-C148 WeakPolarHBondContact CE-SG 3.41Å; M96-C148 HydrophobicContact SD-CB 4.12Å; M96-C148 VanDerWaalsContact SD-SG 3.6Å; M142-C148 WeakPolarHBondContact O-CA 3.48Å; C148-T159 WeakPolarHBondContact O-CA 3.32Å; C148-W160 HydrophobicContact CB-CD2 4Å; C148-W160 VanDerWaalsContact CB-CE2 3.4Å; C148-W160 HydrophobicContact CB-CH2 4.03Å; C148-W160 HydrophobicContact CB-CZ2 3.45Å; C148-W160 VanDerWaalsContact CB-CZ2 3.45Å; C148-W160 PolarHBondContact N-O 3Å; C148-W160 PolarHBondContact O-N 3.07Å |
| 149 | I | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.6 | 175.4 | 59.4 | 177.5 | 0 | 0 | 0 | 108.9 | V141 M142 F158 T159 I194 T195 A196 | V141-I149 CarbonylContact C-O 3.57Å; V141-I149 WeakPolarHBondContact CA-O 3.46Å; M142-I149 HydrophobicContact CB-CD1 4.24Å; M142-I149 HydrophobicContact CB-CG1 3.85Å; M142-I149 PolarHBondContact N-O 3.36Å; M142-I149 PolarHBondContact O-N 3.17Å; I149-F158 CarbonylContact C-O 3.56Å; I149-F158 VanDerWaalsContact CA-O 3.28Å; I149-F158 WeakPolarHBondContact CA-O 3.48Å; I149-T159 HydrophobicContact CG2-CG2 3.8Å; I149-I194 HydrophobicContact CB-CD1 4.47Å; I149-I194 HydrophobicContact CD1-CB 3.83Å; I149-I194 HydrophobicContact CD1-CD1 4.41Å; I149-I194 HydrophobicContact CD1-CG1 4.32Å; I149-I194 HydrophobicContact CG1-CB 4.36Å; I149-I194 HydrophobicContact CG1-CD1 3.98Å; I149-I194 HydrophobicContact CG1-CG1 4.38Å; I149-I194 WeakPolarHBondContact O-CD1 3.13Å; I149-T195 VanDerWaalsContact CD1-O 3.25Å; I149-T195 WeakPolarHBondContact CD1-O 3.33Å; I149-A196 HydrophobicContact CD1-CB 4.16Å; I149-A196 HydrophobicContact CG1-CB 4.35Å |
| 150 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 139.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I138 Q140 V141 L157 F158 W160 | I138-A150 HydrophobicContact CG2-CB 3.99Å; Q140-A150 CarbonylContact O-C 3.08Å; Q140-A150 VanDerWaalsContact O-CA 3.24Å; Q140-A150 WeakPolarHBondContact O-CA 3.38Å; V141-A150 HydrophobicContact CB-CB 4.49Å; V141-A150 HydrophobicContact CG2-CB 4.3Å; A150-L157 CarbonylContact O-C 3.55Å; A150-L157 WeakPolarHBondContact O-CA 3.45Å; A150-L157 WeakPolarHBondContact O-CD1 3.44Å; A150-F158 PolarHBondContact N-O 2.87Å; A150-F158 PolarHBondContact O-N 3.37Å; A150-W160 HydrophobicContact CB-CH2 3.71Å; A150-W160 HydrophobicContact CB-CZ3 3.72Å |
| 151 | L | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.3 | 177 | 179 | 64.3 | 0 | 0 | 0 | 108.5 | I138 S139 Q140 L157 L191 I194 | I138-L151 WeakPolarHBondContact CG2-O 3.43Å; S139-L151 PolarHBondContact N-O 3.37Å; S139-L151 PolarHBondContact OG-O 3.27Å; S139-L151 VanDerWaalsContact OG-O 3.1Å; Q140-L151 HydrophobicContact CB-CB 4.25Å; Q140-L151 PolarHBondContact N-O 3.11Å; Q140-L151 PolarHBondContact O-N 3.34Å; L151-L157 HydrophobicContact CB-CD1 4.35Å; L151-L157 HydrophobicContact CD1-CD1 4.43Å; L151-L191 HydrophobicContact CD1-CB 4.15Å; L151-L191 HydrophobicContact CD1-CD1 4.02Å; L151-L191 HydrophobicContact CD2-CB 4.06Å; L151-I194 HydrophobicContact CB-CD1 3.95Å; L151-I194 HydrophobicContact CB-CG2 4.05Å; L151-I194 HydrophobicContact CD2-CG2 4.38Å |
| 152 | S | 94.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 159 | 172.6 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | S137 D154 G155 Q156 | S137-S152 CarbonylContact O-C 3.5Å; S137-S152 WeakPolarHBondContact O-CA 3.38Å; S152-D154 WeakPolarHBondContact CB-OD1 3.39Å; S152-D154 PolarHBondContact O-N 3.09Å; S152-D154 PolarHBondContact OG-OD1 3.14Å; S152-G155 PolarHBondContact O-N 3.03Å; S152-Q156 PolarHBondContact N-O 3.39Å; S152-Q156 WeakPolarHBondContact OG-CA 3.36Å; S152-Q156 WeakPolarHBondContact OG-CB 3.39Å; S152-Q156 PolarHBondContact OG-N 3.2Å; S152-Q156 PolarHBondContact OG-O 3.36Å; S152-Q156 VanDerWaalsContact OG-O 3.05Å |
| 153 | R | 90.9 | Very high | 94.8 | Very high | 104 Ų | 104 | 17.9 Ų | 17.9 | 39% | 0.392 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.3 | 178.6 | -70.9 | -174.2 | -176.9 | -143.8 | 4.4 | 113.6 | S137 G155 L395 A396 C431 | S137-R153 PolarHBondContact O-N 2.95Å; S137-R153 WeakPolarHBondContact OG-CD 3.27Å; R153-G155 VanDerWaalsContact C-N 3.27Å; R153-L395 WeakPolarHBondContact O-CA 3.42Å; R153-A396 PolarHBondContact O-N 3.43Å; R153-C431 PolarHBondContact O-SG 3.24Å |
| 154 | D | 88.9 | Confident | 94.7 | Very high | 10 Ų | 10 | 22.2 Ų | 22.2 | 5% | 0.053 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 9.3 | 171.6 | 68.5 | -47.3 | 0 | 0 | 0 | 112.7 | S152 Q156 I424 S428 | S152-D154 WeakPolarHBondContact CB-OD1 3.39Å; S152-D154 PolarHBondContact O-N 3.09Å; S152-D154 PolarHBondContact OG-OD1 3.14Å; D154-Q156 VanDerWaalsContact C-N 3.34Å; D154-Q156 PolarHBondContact O-N 3.46Å; D154-Q156 VanDerWaalsContact OD2-CD 3.25Å; D154-Q156 WeakPolarHBondContact OD2-CG 3.42Å; D154-Q156 PolarHBondContact OD2-NE2 3.06Å; D154-I424 HydrophobicContact CB-CG2 3.84Å; D154-S428 VanDerWaalsContact O-CB 3.28Å; D154-S428 WeakPolarHBondContact O-CB 3.5Å; D154-S428 PolarHBondContact O-OG 3.25Å |
| 155 | G | 90.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 75.6 | 17.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S152 R153 | S152-G155 PolarHBondContact O-N 3.03Å; R153-G155 VanDerWaalsContact C-N 3.27Å |
| 156 | Q | 92.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 21.8 Ų | 21.8 | 35% | 0.35 | 11% | 0.11 | S | C | . | . | trans | -83.7 | 137.5 | 168.7 | -60.1 | -176.9 | -8.4 | 0 | 0 | 110 | H136 S152 D154 F158 | H136-Q156 PolarHBondContact CE1-OE1 3.02Å; H136-Q156 PolarHBondContact ND1-OE1 3.22Å; S152-Q156 PolarHBondContact N-O 3.39Å; S152-Q156 WeakPolarHBondContact OG-CA 3.36Å; S152-Q156 WeakPolarHBondContact OG-CB 3.39Å; S152-Q156 PolarHBondContact OG-N 3.2Å; S152-Q156 PolarHBondContact OG-O 3.36Å; S152-Q156 VanDerWaalsContact OG-O 3.05Å; D154-Q156 VanDerWaalsContact C-N 3.34Å; D154-Q156 PolarHBondContact O-N 3.46Å; D154-Q156 VanDerWaalsContact OD2-CD 3.25Å; D154-Q156 WeakPolarHBondContact OD2-CG 3.42Å; D154-Q156 PolarHBondContact OD2-NE2 3.06Å; Q156-F158 HydrophobicContact CB-CE2 3.8Å; Q156-F158 HydrophobicContact CB-CZ 4.12Å | ||
| 157 | L | 95.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.1 | 178.4 | -170.8 | 71.7 | 0 | 0 | 0 | 109.5 | A150 L151 P182 L183 L186 I194 W213 | A150-L157 CarbonylContact O-C 3.55Å; A150-L157 WeakPolarHBondContact O-CA 3.45Å; A150-L157 WeakPolarHBondContact O-CD1 3.44Å; L151-L157 HydrophobicContact CB-CD1 4.35Å; L151-L157 HydrophobicContact CD1-CD1 4.43Å; L157-P182 CarbonylContact O-C 3.58Å; L157-P182 WeakPolarHBondContact O-CA 3.22Å; L157-L183 HydrophobicContact CB-CB 4.36Å; L157-L183 HydrophobicContact CD2-CB 4.36Å; L157-L183 HydrophobicContact CD2-CD2 3.61Å; L157-L183 HydrophobicContact CG-CB 4.49Å; L157-L183 PolarHBondContact O-N 2.97Å; L157-L186 HydrophobicContact CD2-CD1 4.08Å; L157-I194 HydrophobicContact CD1-CG2 3.55Å; L157-W213 HydrophobicContact CD2-CH2 3.98Å; L157-W213 HydrophobicContact CD2-CZ2 4.27Å |
| 158 | F | 96.8 | Very high | 94.8 | Very high | 9 Ų | 9 | 18.4 Ų | 18.4 | 4% | 0.039 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.9 | 177.6 | -62 | -90.7 | 0 | 0 | 0 | 110.2 | L133 H136 I138 I149 A150 Q156 W160 P180 H181 P182 | L133-F158 HydrophobicContact CD2-CB 4.09Å; L133-F158 HydrophobicContact CD2-CD1 3.96Å; L133-F158 HydrophobicContact CD2-CD2 3.94Å; L133-F158 HydrophobicContact CD2-CE1 4.39Å; L133-F158 HydrophobicContact CD2-CE2 4.38Å; L133-F158 HydrophobicContact CD2-CG 3.71Å; H136-F158 HydrophobicContact CB-CE2 4.33Å; H136-F158 HydrophobicContact CB-CZ 4.46Å; H136-F158 AromaticContact CD2-CZ 3.58Å; H136-F158 AromaticContact CE1-CZ 3.74Å; H136-F158 AromaticContact CG-CZ 3.72Å; H136-F158 AromaticContact ND1-CZ 3.81Å; H136-F158 AromaticContact NE2-CZ 3.59Å; I138-F158 HydrophobicContact CD1-CD2 4.37Å; I138-F158 HydrophobicContact CD1-CE2 4.47Å; I149-F158 CarbonylContact C-O 3.56Å; I149-F158 VanDerWaalsContact CA-O 3.28Å; I149-F158 WeakPolarHBondContact CA-O 3.48Å; A150-F158 PolarHBondContact N-O 2.87Å; A150-F158 PolarHBondContact O-N 3.37Å; Q156-F158 HydrophobicContact CB-CE2 3.8Å; Q156-F158 HydrophobicContact CB-CZ 4.12Å; F158-W160 HydrophobicContact CB-CE3 4.41Å; F158-W160 HydrophobicContact CB-CZ3 4.1Å; F158-P180 HydrophobicContact CB-CB 4.28Å; F158-P180 HydrophobicContact CD1-CB 4.49Å; F158-H181 CarbonylContact C-O 3.58Å; F158-H181 WeakPolarHBondContact CA-O 3.18Å; F158-P182 HydrophobicContact CD1-CB 4.13Å; F158-P182 HydrophobicContact CE1-CB 3.93Å |
| 159 | T | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.7 | 178.9 | 67.2 | 0 | 0 | 0 | 0 | 110.6 | C148 I149 L168 H181 L183 | C148-T159 WeakPolarHBondContact O-CA 3.32Å; I149-T159 HydrophobicContact CG2-CG2 3.8Å; T159-L168 WeakPolarHBondContact CG2-O 3.26Å; T159-L168 PolarHBondContact OG1-O 2.89Å; T159-L168 VanDerWaalsContact OG1-O 3.11Å; T159-H181 PolarHBondContact N-O 2.86Å; T159-H181 PolarHBondContact O-N 2.95Å; T159-L183 HydrophobicContact CG2-CB 4.27Å; T159-L183 HydrophobicContact CG2-CD2 4.3Å |
| 160 | W | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 170 | 175.3 | 63.3 | 95 | 0 | 0 | 0 | 112.6 | M96 Q114 G116 L133 V141 H147 C148 A150 F158 L168 P180 | M96-W160 HydrophobicContact CE-CZ2 3.64Å; M96-W160 HydrophobicContact SD-CZ2 3.82Å; Q114-W160 PolarHBondContact O-NE1 3.04Å; G116-W160 VanDerWaalsContact CA-CD1 3.44Å; L133-W160 HydrophobicContact CD1-CH2 3.91Å; L133-W160 HydrophobicContact CD1-CZ3 4.17Å; V141-W160 HydrophobicContact CG2-CH2 4.28Å; H147-W160 CarbonylContact C-O 3.14Å; H147-W160 VanDerWaalsContact CA-O 3.31Å; H147-W160 WeakPolarHBondContact CA-O 3.23Å; H147-W160 WeakPolarHBondContact CB-O 3.39Å; C148-W160 HydrophobicContact CB-CD2 4Å; C148-W160 VanDerWaalsContact CB-CE2 3.4Å; C148-W160 HydrophobicContact CB-CH2 4.03Å; C148-W160 HydrophobicContact CB-CZ2 3.45Å; C148-W160 VanDerWaalsContact CB-CZ2 3.45Å; C148-W160 PolarHBondContact N-O 3Å; C148-W160 PolarHBondContact O-N 3.07Å; A150-W160 HydrophobicContact CB-CH2 3.71Å; A150-W160 HydrophobicContact CB-CZ3 3.72Å; F158-W160 HydrophobicContact CB-CE3 4.41Å; F158-W160 HydrophobicContact CB-CZ3 4.1Å; W160-L168 WeakPolarHBondContact O-CD2 3.34Å; W160-P180 HydrophobicContact CD2-CB 4.15Å; W160-P180 HydrophobicContact CD2-CG 3.8Å; W160-P180 HydrophobicContact CE3-CB 3.65Å; W160-P180 HydrophobicContact CE3-CG 3.73Å; W160-P180 HydrophobicContact CG-CG 4.28Å; W160-P180 HydrophobicContact CZ3-CB 4.08Å; W160-P180 HydrophobicContact CZ3-CG 4.12Å |
| 161 | G | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.1 | -148.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G112 S176 K177 | G112-G161 CarbonylContact O-C 3.16Å; G112-G161 WeakPolarHBondContact O-CA 3.3Å; G161-S176 CarbonylContact O-C 3.53Å; G161-S176 VanDerWaalsContact O-CA 3.26Å; G161-S176 WeakPolarHBondContact O-CA 3.15Å; G161-S176 VanDerWaalsContact O-CB 3.24Å; G161-S176 WeakPolarHBondContact O-CB 3.31Å; G161-K177 PolarHBondContact N-O 3.44Å; G161-K177 PolarHBondContact O-N 2.91Å |
| 162 | Q | 94.6 | Very high | 94 | Very high | 41 Ų | 41 | 30.8 Ų | 30.8 | 19% | 0.192 | 16% | 0.155 | C | C | . | . | trans | -68.5 | 141 | -176.4 | -168.7 | 178.9 | 36 | 0 | 0 | 112 | G112 Q146 T164 Q167 S176 | G112-Q162 PolarHBondContact O-N 3.44Å; Q146-Q162 HydrophobicContact CB-CB 3.91Å; Q146-Q162 PolarHBondContact O-N 2.89Å; Q162-T164 HydrophobicContact CG-CG2 3.87Å; Q162-Q167 WeakPolarHBondContact O-CG 3.23Å; Q162-Q167 PolarHBondContact O-NE2 3.4Å; Q162-S176 WeakPolarHBondContact CA-OG 3.38Å | ||
| 163 | N | 95.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | trans | -128.7 | 23.8 | 177.9 | -159.2 | 38.3 | 0 | 0 | 0 | 114.7 | S165 G166 Q167 L168 E174 S176 | N163-S165 PolarHBondContact O-N 2.88Å; N163-G166 PolarHBondContact O-N 3.42Å; N163-G166 VanDerWaalsContact O-N 3.13Å; N163-G166 WeakPolarHBondContact OD1-CA 3.46Å; N163-Q167 VanDerWaalsContact CA-OE1 3.28Å; N163-Q167 PolarHBondContact OD1-N 2.84Å; N163-L168 HydrophobicContact CB-CB 4.44Å; N163-L168 HydrophobicContact CB-CD1 3.73Å; N163-L168 HydrophobicContact CB-CG 3.78Å; N163-L168 VanDerWaalsContact OD1-CB 3.31Å; N163-L168 WeakPolarHBondContact OD1-CB 3.34Å; N163-L168 WeakPolarHBondContact OD1-CG 3.25Å; N163-L168 PolarHBondContact OD1-N 3.39Å; N163-E174 PolarHBondContact ND2-O 3.15Å; N163-S176 PolarHBondContact N-OG 3.41Å; N163-S176 VanDerWaalsContact N-OG 3.13Å | ||
| 164 | T | 93.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 33.4 Ų | 33.4 | 62% | 0.62 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27 | -175.1 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | Q162 | Q162-T164 HydrophobicContact CG-CG2 3.87Š|
| 165 | S | 94.1 | Very high | 93.8 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 12% | 0.119 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 9.1 | 177.8 | -69.1 | 0 | 0 | 0 | 0 | 112.4 | N163 G214 | N163-S165 PolarHBondContact O-N 2.88Å; S165-G214 CarbonylContact O-C 3.52Å; S165-G214 VanDerWaalsContact O-C 3.24Å; S165-G214 WeakPolarHBondContact O-CA 3.37Å |
| 166 | G | 94.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 39 Ų | 39 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 78.3 | 17 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | N163 L168 G169 | N163-G166 PolarHBondContact O-N 3.42Å; N163-G166 VanDerWaalsContact O-N 3.13Å; N163-G166 WeakPolarHBondContact OD1-CA 3.46Å; G166-L168 PolarHBondContact O-N 3.39Å; G166-L168 VanDerWaalsContact O-N 3.09Å; G166-G169 PolarHBondContact O-N 3.29Å |
| 167 | Q | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10.7 | -175.3 | 62.9 | -96.2 | 59.7 | 0 | 0 | 115 | H147 Q162 N163 D199 S201 W213 | H147-Q167 HydrophobicContact CB-CG 3.99Å; Q162-Q167 WeakPolarHBondContact O-CG 3.23Å; Q162-Q167 PolarHBondContact O-NE2 3.4Å; N163-Q167 VanDerWaalsContact CA-OE1 3.28Å; N163-Q167 PolarHBondContact OD1-N 2.84Å; Q167-D199 WeakPolarHBondContact CB-O 3.17Å; Q167-S201 PolarHBondContact O-OG 3.49Å; Q167-W213 VanDerWaalsContact O-CD1 3.3Å; Q167-W213 PolarHBondContact O-NE1 3.3Å |
| 168 | L | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -18.4 | 171 | -53.9 | -171 | 0 | 0 | 0 | 113.1 | H147 T159 W160 N163 G166 L170 K177 | H147-L168 HydrophobicContact CB-CD2 3.9Å; T159-L168 WeakPolarHBondContact CG2-O 3.26Å; T159-L168 PolarHBondContact OG1-O 2.89Å; T159-L168 VanDerWaalsContact OG1-O 3.11Å; W160-L168 WeakPolarHBondContact O-CD2 3.34Å; N163-L168 HydrophobicContact CB-CB 4.44Å; N163-L168 HydrophobicContact CB-CD1 3.73Å; N163-L168 HydrophobicContact CB-CG 3.78Å; N163-L168 VanDerWaalsContact OD1-CB 3.31Å; N163-L168 WeakPolarHBondContact OD1-CB 3.34Å; N163-L168 WeakPolarHBondContact OD1-CG 3.25Å; N163-L168 PolarHBondContact OD1-N 3.39Å; G166-L168 PolarHBondContact O-N 3.39Å; G166-L168 VanDerWaalsContact O-N 3.09Å; L168-L170 VanDerWaalsContact C-N 3.25Å; L168-L170 HydrophobicContact CB-CD1 3.99Å; L168-L170 HydrophobicContact CB-CG 3.89Å; L168-L170 HydrophobicContact CD1-CD1 4.04Å; L168-L170 PolarHBondContact O-N 3.36Å; L168-K177 HydrophobicContact CD1-CB 4.15Å; L168-K177 HydrophobicContact CD1-CG 3.94Å |
| 169 | G | 95.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | trans | 74.7 | 9.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G166 G171 L183 W213 A230 P232 | G166-G169 PolarHBondContact O-N 3.29Å; G169-G171 VanDerWaalsContact C-N 3.3Å; G169-G171 PolarHBondContact O-N 3.13Å; G169-L183 WeakPolarHBondContact O-CD1 3.35Å; G169-W213 VanDerWaalsContact N-CD1 3.28Å; G169-A230 CarbonylContact C-O 3.52Å; G169-A230 VanDerWaalsContact CA-O 3.22Å; G169-A230 WeakPolarHBondContact CA-O 3.36Å; G169-P232 WeakPolarHBondContact O-CD 3.44Å | ||
| 170 | L | 94.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 41.7 Ų | 41.7 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -78.3 | -7 | -172.3 | -60.8 | 176 | 0 | 0 | 0 | 114.7 | L168 E174 K177 H181 L183 A230 | L168-L170 VanDerWaalsContact C-N 3.25Å; L168-L170 HydrophobicContact CB-CD1 3.99Å; L168-L170 HydrophobicContact CB-CG 3.89Å; L168-L170 HydrophobicContact CD1-CD1 4.04Å; L168-L170 PolarHBondContact O-N 3.36Å; L170-E174 HydrophobicContact CB-CB 4.07Å; L170-E174 HydrophobicContact CB-CG 3.94Å; L170-K177 HydrophobicContact CD1-CD 4.31Å; L170-K177 HydrophobicContact CD1-CG 3.67Å; L170-H181 HydrophobicContact CD1-CB 4.36Å; L170-L183 HydrophobicContact CD2-CD1 3.97Å; L170-A230 PolarHBondContact N-O 3.08Å |
| 171 | G | 92.5 | Very high | 93.7 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | trans | 119 | 163.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | G169 G173 A230 | G169-G171 VanDerWaalsContact C-N 3.3Å; G169-G171 PolarHBondContact O-N 3.13Å; G171-G173 PolarHBondContact O-N 3.45Å; G171-A230 WeakPolarHBondContact CA-O 3.43Å; G171-A230 PolarHBondContact N-O 3.39Å | ||
| 172 | K | 89 | Confident | 93.6 | Very high | 203 Ų | 203 | 48 Ų | 48 | 88% | 0.883 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 128.1 | -178.6 | -171.6 | 178.7 | -178.8 | -179 | 0 | 110.2 | A230 | K172-A230 HydrophobicContact CB-CB 4.35Š|
| 173 | G | 84.6 | Confident | 93.6 | Very high | 79 Ų | 79 | 46.5 Ų | 46.5 | 81% | 0.814 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -0.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G171 | G171-G173 PolarHBondContact O-N 3.45Š|
| 174 | E | 92.1 | Very high | 93.4 | Very high | 80 Ų | 80 | 54 Ų | 54 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 133.5 | 173.5 | -79.3 | -65.1 | 132.4 | 0 | 0 | 111.4 | N163 L170 K177 | N163-E174 PolarHBondContact ND2-O 3.15Å; L170-E174 HydrophobicContact CB-CB 4.07Å; L170-E174 HydrophobicContact CB-CG 3.94Å; E174-K177 WeakPolarHBondContact OE2-CE 3.41Å; E174-K177 IonicContact OE2-NZ 2.85Å; E174-K177 PolarHBondContact OE2-NZ 2.96Å |
| 175 | P | 93.3 | Very high | 93.2 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 165.9 | 178.2 | 31.4 | -35.9 | 0 | 0 | 0 | 112.1 | ||
| 176 | S | 93.9 | Very high | 93.2 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 141 | 167 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | G161 Q162 N163 | G161-S176 CarbonylContact O-C 3.53Å; G161-S176 VanDerWaalsContact O-CA 3.26Å; G161-S176 WeakPolarHBondContact O-CA 3.15Å; G161-S176 VanDerWaalsContact O-CB 3.24Å; G161-S176 WeakPolarHBondContact O-CB 3.31Å; Q162-S176 WeakPolarHBondContact CA-OG 3.38Å; N163-S176 PolarHBondContact N-OG 3.41Å; N163-S176 VanDerWaalsContact N-OG 3.13Å |
| 177 | K | 94.9 | Very high | 93 | Very high | 35 Ų | 35 | 53 Ų | 53 | 15% | 0.152 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.5 | -178 | -58.9 | -64.9 | 179 | 178.6 | 0 | 109.9 | G161 L168 L170 E174 T179 H181 | G161-K177 PolarHBondContact N-O 3.44Å; G161-K177 PolarHBondContact O-N 2.91Å; L168-K177 HydrophobicContact CD1-CB 4.15Å; L168-K177 HydrophobicContact CD1-CG 3.94Å; L170-K177 HydrophobicContact CD1-CD 4.31Å; L170-K177 HydrophobicContact CD1-CG 3.67Å; E174-K177 WeakPolarHBondContact OE2-CE 3.41Å; E174-K177 IonicContact OE2-NZ 2.85Å; E174-K177 PolarHBondContact OE2-NZ 2.96Å; K177-T179 VanDerWaalsContact C-N 3.29Å; K177-T179 PolarHBondContact O-N 2.8Å; K177-H181 HydrophobicContact CG-CB 4.35Å |
| 178 | L | 93.6 | Very high | 92.8 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 34% | 0.335 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -10.4 | 179.2 | -58.1 | -179.9 | 0 | 0 | 0 | 113.6 | G116 L117 G118 V120 | G116-L178 CarbonylContact C-O 3.56Å; G116-L178 WeakPolarHBondContact CA-O 3.4Å; L117-L178 PolarHBondContact N-O 3.41Å; G118-L178 WeakPolarHBondContact CA-O 3.17Å; G118-L178 PolarHBondContact N-O 2.96Å; V120-L178 HydrophobicContact CG2-CD1 3.93Å |
| 179 | T | 93.9 | Very high | 92.6 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.4 | 178.6 | 60 | 0 | 0 | 0 | 0 | 110.1 | G118 R132 K177 H181 | G118-T179 VanDerWaalsContact CA-CG2 3.46Å; R132-T179 HydrophobicContact CG-CG2 4.47Å; K177-T179 VanDerWaalsContact C-N 3.29Å; K177-T179 PolarHBondContact O-N 2.8Å; T179-H181 PolarHBondContact O-N 3.04Å |
| 180 | P | 95.9 | Very high | 92.6 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 7% | 0.065 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.4 | 127.4 | 172.6 | -28.4 | 35.1 | 0 | 0 | 0 | 112.5 | G116 V130 R132 L133 F158 W160 | G116-P180 VanDerWaalsContact O-CD 3.3Å; G116-P180 WeakPolarHBondContact O-CD 3.49Å; V130-P180 HydrophobicContact CG1-CG 3.58Å; R132-P180 HydrophobicContact CB-CG 4.45Å; L133-P180 HydrophobicContact CD1-CB 4.26Å; L133-P180 HydrophobicContact CD1-CG 3.86Å; L133-P180 HydrophobicContact CD2-CB 3.67Å; L133-P180 HydrophobicContact CD2-CG 4.1Å; L133-P180 HydrophobicContact CG-CB 3.94Å; L133-P180 HydrophobicContact CG-CG 3.78Å; F158-P180 HydrophobicContact CB-CB 4.28Å; F158-P180 HydrophobicContact CD1-CB 4.49Å; W160-P180 HydrophobicContact CD2-CB 4.15Å; W160-P180 HydrophobicContact CD2-CG 3.8Å; W160-P180 HydrophobicContact CE3-CB 3.65Å; W160-P180 HydrophobicContact CE3-CG 3.73Å; W160-P180 HydrophobicContact CG-CG 4.28Å; W160-P180 HydrophobicContact CZ3-CB 4.08Å; W160-P180 HydrophobicContact CZ3-CG 4.12Å |
| 181 | H | 95.3 | Very high | 92.6 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 35% | 0.352 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.1 | 178.7 | -119.1 | 71.2 | 0 | 0 | 0 | 110.4 | F158 T159 L170 K177 T179 L183 | F158-H181 CarbonylContact C-O 3.58Å; F158-H181 WeakPolarHBondContact CA-O 3.18Å; T159-H181 PolarHBondContact N-O 2.86Å; T159-H181 PolarHBondContact O-N 2.95Å; L170-H181 HydrophobicContact CD1-CB 4.36Å; K177-H181 HydrophobicContact CG-CB 4.35Å; T179-H181 PolarHBondContact O-N 3.04Å; H181-L183 PolarHBondContact O-N 2.93Å |
| 182 | P | 94 | Very high | 92.7 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 129.5 | -179.2 | 27.6 | -33.6 | 0 | 0 | 0 | 111.6 | L157 F158 K184 | L157-P182 CarbonylContact O-C 3.58Å; L157-P182 WeakPolarHBondContact O-CA 3.22Å; F158-P182 HydrophobicContact CD1-CB 4.13Å; F158-P182 HydrophobicContact CE1-CB 3.93Å; P182-K184 PolarHBondContact O-N 3.36Å |
| 183 | L | 94.2 | Very high | 92.9 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | trans | -91.1 | 93.3 | 176.3 | -173.7 | 65.6 | 0 | 0 | 0 | 110.4 | L157 T159 G169 L170 H181 S185 L186 W213 P232 | L157-L183 HydrophobicContact CB-CB 4.36Å; L157-L183 HydrophobicContact CD2-CB 4.36Å; L157-L183 HydrophobicContact CD2-CD2 3.61Å; L157-L183 HydrophobicContact CG-CB 4.49Å; L157-L183 PolarHBondContact O-N 2.97Å; T159-L183 HydrophobicContact CG2-CB 4.27Å; T159-L183 HydrophobicContact CG2-CD2 4.3Å; G169-L183 WeakPolarHBondContact O-CD1 3.35Å; L170-L183 HydrophobicContact CD2-CD1 3.97Å; H181-L183 PolarHBondContact O-N 2.93Å; L183-S185 VanDerWaalsContact C-N 3.28Å; L183-S185 VanDerWaalsContact CD1-OG 3.3Å; L183-S185 WeakPolarHBondContact CD1-OG 3.38Å; L183-S185 WeakPolarHBondContact CG-OG 3.47Å; L183-S185 PolarHBondContact O-N 3.12Å; L183-L186 HydrophobicContact CD2-CD1 4.31Å; L183-W213 HydrophobicContact CD2-CH2 4.32Å; L183-W213 HydrophobicContact CD2-CZ2 3.96Å; L183-P232 HydrophobicContact CD2-CG 3.67Å; L183-P232 HydrophobicContact CG-CG 4.44Å | ||
| 184 | K | 90.3 | Very high | 93.5 | Very high | 171 Ų | 171 | 38.4 Ų | 38.4 | 74% | 0.743 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -72.6 | -16.7 | -176.1 | -61.8 | -176.7 | -179.9 | -178.7 | 0 | 114.4 | P182 L186 A187 | P182-K184 PolarHBondContact O-N 3.36Å; K184-L186 PolarHBondContact O-N 3.24Å; K184-A187 VanDerWaalsContact O-CB 3.28Å; K184-A187 WeakPolarHBondContact O-CB 3.26Å; K184-A187 PolarHBondContact O-N 3.43Å |
| 185 | S | 90.9 | Very high | 93.7 | Very high | 47 Ų | 47 | 35.1 Ų | 35.1 | 33% | 0.329 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -71.2 | -9.2 | -176 | 52.1 | 0 | 0 | 0 | 0 | 114.5 | L183 P232 P495 | L183-S185 VanDerWaalsContact C-N 3.28Å; L183-S185 VanDerWaalsContact CD1-OG 3.3Å; L183-S185 WeakPolarHBondContact CD1-OG 3.38Å; L183-S185 WeakPolarHBondContact CG-OG 3.47Å; L183-S185 PolarHBondContact O-N 3.12Å; S185-P232 WeakPolarHBondContact OG-CD 3.37Å; S185-P232 WeakPolarHBondContact OG-CG 3.27Å; S185-P495 WeakPolarHBondContact O-CB 3.43Å; S185-P495 WeakPolarHBondContact O-CG 3.41Å |
| 186 | L | 93.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -118.7 | 14 | 172.4 | -63.5 | 176.4 | 0 | 0 | 0 | 112.3 | L157 L183 K184 G188 I189 A203 F211 W213 P232 | L157-L186 HydrophobicContact CD2-CD1 4.08Å; L183-L186 HydrophobicContact CD2-CD1 4.31Å; K184-L186 PolarHBondContact O-N 3.24Å; L186-G188 PolarHBondContact O-N 3.33Å; L186-I189 HydrophobicContact CD2-CD1 3.92Å; L186-I189 PolarHBondContact O-N 3.15Å; L186-A203 HydrophobicContact CD1-CB 3.95Å; L186-F211 HydrophobicContact CD1-CB 4.35Å; L186-F211 HydrophobicContact CD2-CB 4.12Å; L186-F211 HydrophobicContact CD2-CD1 3.71Å; L186-F211 HydrophobicContact CD2-CD2 4.15Å; L186-F211 HydrophobicContact CD2-CE1 4.15Å; L186-F211 HydrophobicContact CD2-CG 3.72Å; L186-W213 HydrophobicContact CD1-CH2 4.09Å; L186-W213 HydrophobicContact CD1-CZ3 3.91Å; L186-P232 HydrophobicContact CD1-CB 3.91Å; L186-P232 HydrophobicContact CD1-CG 3.94Å; L186-P232 HydrophobicContact CD2-CB 3.75Å; L186-P232 HydrophobicContact CD2-CG 4.37Å; L186-P232 HydrophobicContact CG-CB 3.86Å; L186-P232 HydrophobicContact CG-CG 3.93Å |
| 187 | A | 90.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 29.8 Ų | 29.8 | 41% | 0.405 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 134.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | K184 I189 | K184-A187 VanDerWaalsContact O-CB 3.28Å; K184-A187 WeakPolarHBondContact O-CB 3.26Å; K184-A187 PolarHBondContact O-N 3.43Å; A187-I189 VanDerWaalsContact C-N 3.31Å; A187-I189 PolarHBondContact O-N 3.36Å |
| 188 | G | 89.8 | Confident | 93.8 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -6.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L186 T429 N433 | L186-G188 PolarHBondContact O-N 3.33Å; G188-T429 WeakPolarHBondContact CA-OG1 3.24Å; G188-N433 PolarHBondContact O-ND2 3.13Å |
| 189 | I | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -78 | 129.4 | 170 | -58.6 | 177 | 0 | 0 | 0 | 108.4 | L186 A187 L191 F211 P495 D496 E498 A499 | L186-I189 HydrophobicContact CD2-CD1 3.92Å; L186-I189 PolarHBondContact O-N 3.15Å; A187-I189 VanDerWaalsContact C-N 3.31Å; A187-I189 PolarHBondContact O-N 3.36Å; I189-L191 HydrophobicContact CB-CD2 4.4Å; I189-L191 HydrophobicContact CG2-CD2 3.94Å; I189-L191 PolarHBondContact O-N 3.1Å; I189-F211 HydrophobicContact CD1-CE1 4.16Å; I189-F211 HydrophobicContact CD1-CE2 3.88Å; I189-F211 HydrophobicContact CD1-CZ 3.58Å; I189-F211 HydrophobicContact CG2-CE2 4.25Å; I189-P495 HydrophobicContact CD1-CB 4.35Å; I189-P495 HydrophobicContact CD1-CG 3.94Å; I189-P495 HydrophobicContact CG1-CG 4.13Å; I189-D496 HydrophobicContact CD1-CB 3.78Å; I189-D496 HydrophobicContact CG1-CB 4.34Å; I189-E498 HydrophobicContact CG2-CB 4.49Å; I189-A499 HydrophobicContact CG1-CB 4.15Å |
| 190 | P | 93.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -74.3 | 96.1 | 177.3 | 30.8 | -34.1 | 0 | 0 | 0 | 110.4 | S205 L206 L395 N433 A434 | P190-S205 CarbonylContact O-C 3.54Å; P190-S205 WeakPolarHBondContact O-CA 3.33Å; P190-L206 HydrophobicContact CB-CD1 4.03Å; P190-L206 HydrophobicContact CB-CG 4.45Å; P190-L206 PolarHBondContact O-N 3.09Å; P190-L395 HydrophobicContact CB-CD1 4.09Å; P190-N433 HydrophobicContact CB-CB 4.47Å; P190-N433 HydrophobicContact CG-CB 4.23Å; P190-A434 HydrophobicContact CB-CB 3.74Å | ||
| 191 | L | 95 | Very high | 94.2 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130.7 | -178.1 | -61.8 | -179.6 | 0 | 0 | 0 | 112.8 | L151 I189 A203 L204 S394 L395 | L151-L191 HydrophobicContact CD1-CB 4.15Å; L151-L191 HydrophobicContact CD1-CD1 4.02Å; L151-L191 HydrophobicContact CD2-CB 4.06Å; I189-L191 HydrophobicContact CB-CD2 4.4Å; I189-L191 HydrophobicContact CG2-CD2 3.94Å; I189-L191 PolarHBondContact O-N 3.1Å; L191-A203 HydrophobicContact CD1-CB 4.15Å; L191-A203 HydrophobicContact CD2-CB 3.95Å; L191-L204 CarbonylContact C-O 3.29Å; L191-S394 PolarHBondContact O-OG 3.49Å; L191-L395 WeakPolarHBondContact O-CD1 3.28Å |
| 192 | A | 93.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 7% | 0.074 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q140 L204 L206 V389 S394 | Q140-A192 PolarHBondContact NE2-O 3.44Å; A192-L204 HydrophobicContact CB-CG 4.38Å; A192-L204 PolarHBondContact N-O 2.73Å; A192-L206 HydrophobicContact CB-CD2 3.62Å; A192-L206 HydrophobicContact CB-CG 4.15Å; A192-V389 HydrophobicContact CB-CG1 4.25Å; A192-S394 WeakPolarHBondContact O-CB 3.41Å |
| 193 | Q | 94.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 18 Ų | 18 | 10% | 0.098 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 145.1 | -170.2 | -169.6 | -173.3 | 6.4 | 0 | 0 | 110.9 | L204 Y245 I246 | Q193-L204 HydrophobicContact CB-CB 4.23Å; Q193-L204 HydrophobicContact CB-CD2 4.31Å; Q193-L204 PolarHBondContact N-O 3.27Å; Q193-L204 PolarHBondContact O-N 2.98Å; Q193-Y245 VanDerWaalsContact OE1-CD2 3.26Å; Q193-I246 PolarHBondContact NE2-O 3.21Å; Q193-I246 VanDerWaalsContact NE2-O 3.1Å |
| 194 | I | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 150.9 | 165.7 | 63.5 | 177.9 | 0 | 0 | 0 | 109.8 | Q140 M142 I149 L151 L157 | Q140-I194 HydrophobicContact CB-CD1 3.92Å; Q140-I194 HydrophobicContact CB-CG1 3.97Å; Q140-I194 VanDerWaalsContact OE1-N 3.15Å; M142-I194 HydrophobicContact CB-CG1 4.4Å; M142-I194 HydrophobicContact CG-CD1 4.33Å; M142-I194 HydrophobicContact CG-CG1 3.8Å; M142-I194 WeakPolarHBondContact CG-O 3.16Å; I149-I194 HydrophobicContact CB-CD1 4.47Å; I149-I194 HydrophobicContact CD1-CB 3.83Å; I149-I194 HydrophobicContact CD1-CD1 4.41Å; I149-I194 HydrophobicContact CD1-CG1 4.32Å; I149-I194 HydrophobicContact CG1-CB 4.36Å; I149-I194 HydrophobicContact CG1-CD1 3.98Å; I149-I194 HydrophobicContact CG1-CG1 4.38Å; I149-I194 WeakPolarHBondContact O-CD1 3.13Å; L151-I194 HydrophobicContact CB-CD1 3.95Å; L151-I194 HydrophobicContact CB-CG2 4.05Å; L151-I194 HydrophobicContact CD2-CG2 4.38Å; L157-I194 HydrophobicContact CD1-CG2 3.55Å |
| 195 | T | 95.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 9.7 Ų | 9.7 | 7% | 0.067 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 147.4 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | I149 F202 I246 C248 | I149-T195 VanDerWaalsContact CD1-O 3.25Å; I149-T195 WeakPolarHBondContact CD1-O 3.33Å; T195-F202 HydrophobicContact CG2-CB 3.71Å; T195-F202 HydrophobicContact CG2-CD2 4.48Å; T195-F202 PolarHBondContact N-O 3.23Å; T195-F202 PolarHBondContact O-N 3.29Å; T195-I246 HydrophobicContact CG2-CB 4.33Å; T195-I246 HydrophobicContact CG2-CG1 4.07Å; T195-I246 HydrophobicContact CG2-CG2 3.57Å; T195-C248 WeakPolarHBondContact CG2-SG 3.47Å |
| 196 | A | 96 | Very high | 94.8 | Very high | 14 Ų | 14 | 8 Ų | 8 | 12% | 0.116 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | M142 I149 | M142-A196 HydrophobicContact CB-CB 4.32Å; I149-A196 HydrophobicContact CD1-CB 4.16Å; I149-A196 HydrophobicContact CG1-CB 4.35Å |
| 197 | G | 94.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 8 Ų | 8 | 6% | 0.062 | 6% | 0.055 | C | C | . | . | trans | -93.4 | -153 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G144 H200 C248 G249 | G144-G197 WeakPolarHBondContact CA-O 3.45Å; G197-H200 PolarHBondContact N-O 3.2Å; G197-C248 VanDerWaalsContact CA-CB 3.4Å; G197-G249 WeakPolarHBondContact CA-O 3.28Å | ||
| 198 | G | 93.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.01 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -56.4 | -73.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N145 G249 D250 | N145-G198 VanDerWaalsContact CB-O 3.28Å; N145-G198 WeakPolarHBondContact CB-O 3.24Å; N145-G198 PolarHBondContact N-O 2.91Å; N145-G198 WeakPolarHBondContact ND2-CA 3.25Å; G198-G249 PolarHBondContact N-O 3.08Å; G198-D250 WeakPolarHBondContact CA-O 3.46Å; G198-D250 WeakPolarHBondContact CA-OD1 3.26Å; G198-D250 PolarHBondContact N-O 2.91Å |
| 199 | D | 96.2 | Very high | 95.1 | Very high | 32 Ų | 32 | 5.5 Ų | 5.5 | 17% | 0.171 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -123.4 | 31.3 | -179.9 | -51.2 | -41 | 0 | 0 | 0 | 111.8 | Q167 K215 | Q167-D199 WeakPolarHBondContact CB-O 3.17Å; D199-K215 HydrophobicContact CB-CB 3.86Å; D199-K215 HydrophobicContact CB-CD 3.83Å; D199-K215 WeakPolarHBondContact O-CB 3.38Å; D199-K215 PolarHBondContact O-N 3.46Å; D199-K215 WeakPolarHBondContact OD2-CD 3.48Å; D199-K215 IonicContact OD2-NZ 2.85Å; D199-K215 PolarHBondContact OD2-NZ 3.31Å |
| 200 | H | 97.3 | Very high | 95.2 | 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 | -145.6 | 162.8 | -179.3 | 67.7 | -87.7 | 0 | 0 | 0 | 110.9 | H147 G197 F202 W213 L221 D250 T253 | H147-H200 PolarHBondContact NE2-O 3.21Å; G197-H200 PolarHBondContact N-O 3.2Å; H200-F202 AromaticContact CD2-CD2 3.79Å; H200-F202 AromaticContact CD2-CE2 3.31Å; H200-F202 WeakPolarHBondContact CD2-CE2 3.31Å; H200-F202 AromaticContact NE2-CE2 3.74Å; H200-W213 CarbonylContact C-O 3.18Å; H200-W213 WeakPolarHBondContact CA-O 3.28Å; H200-W213 WeakPolarHBondContact CB-O 3.36Å; H200-L221 HydrophobicContact CB-CD2 4.05Å; H200-D250 PolarHBondContact CE1-O 3.29Å; H200-T253 PolarHBondContact NE2-OG1 3.38Å |
| 201 | S | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148.5 | -172.1 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | H147 Q167 G212 W213 | H147-S201 PolarHBondContact CD2-OG 2.83Å; H147-S201 PolarHBondContact NE2-OG 3.16Å; Q167-S201 PolarHBondContact O-OG 3.49Å; S201-G212 WeakPolarHBondContact O-CA 3.27Å; S201-W213 PolarHBondContact N-O 3.43Å; S201-W213 PolarHBondContact O-N 3Å |
| 202 | F | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154 | 172.4 | -68.2 | -95.7 | 0 | 0 | 0 | 112.7 | T195 H200 V210 F211 G212 Q220 L221 I235 I246 C248 T253 F265 | T195-F202 HydrophobicContact CG2-CB 3.71Å; T195-F202 HydrophobicContact CG2-CD2 4.48Å; T195-F202 PolarHBondContact N-O 3.23Å; T195-F202 PolarHBondContact O-N 3.29Å; H200-F202 AromaticContact CD2-CD2 3.79Å; H200-F202 AromaticContact CD2-CE2 3.31Å; H200-F202 WeakPolarHBondContact CD2-CE2 3.31Å; H200-F202 AromaticContact NE2-CE2 3.74Å; F202-V210 HydrophobicContact CD1-CG1 3.87Å; F202-V210 HydrophobicContact CE1-CG1 4.48Å; F202-F211 CarbonylContact C-O 3.56Å; F202-F211 WeakPolarHBondContact CA-O 3.11Å; F202-F211 WeakPolarHBondContact CD1-O 3.44Å; F202-G212 VanDerWaalsContact CE1-CA 3.43Å; F202-Q220 WeakPolarHBondContact CZ-O 2.88Å; F202-L221 HydrophobicContact CE1-CD2 4.44Å; F202-L221 HydrophobicContact CE2-CD2 4.29Å; F202-L221 HydrophobicContact CZ-CD2 3.92Å; F202-I235 HydrophobicContact CD1-CD1 3.96Å; F202-I235 HydrophobicContact CE1-CD1 3.43Å; F202-I235 VanDerWaalsContact CE1-CD1 3.43Å; F202-I246 HydrophobicContact CB-CD1 3.86Å; F202-I246 HydrophobicContact CD1-CD1 3.79Å; F202-I246 HydrophobicContact CD2-CD1 4.34Å; F202-I246 HydrophobicContact CE1-CD1 4.39Å; F202-I246 HydrophobicContact CG-CD1 3.76Å; F202-C248 WeakPolarHBondContact CD2-SG 3.4Å; F202-T253 HydrophobicContact CD2-CG2 4.38Å; F202-T253 HydrophobicContact CE2-CG2 3.82Å; F202-T253 WeakPolarHBondContact CE2-OG1 3.3Å; F202-T253 HydrophobicContact CZ-CG2 3.96Å; F202-F265 HydrophobicContact CZ-CE2 4.09Å; F202-F265 HydrophobicContact CZ-CZ 4.44Å |
| 203 | A | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L186 L191 F211 W213 | L186-A203 HydrophobicContact CD1-CB 3.95Å; L191-A203 HydrophobicContact CD1-CB 4.15Å; L191-A203 HydrophobicContact CD2-CB 3.95Å; A203-F211 PolarHBondContact N-O 3.45Å; A203-F211 PolarHBondContact O-N 3.31Å; A203-W213 HydrophobicContact CB-CH2 3.99Å; A203-W213 HydrophobicContact CB-CZ3 4.01Å |
| 204 | L | 95.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 4.3 Ų | 4.3 | 1% | 0.005 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.2 | 177.7 | 172 | 66.3 | 0 | 0 | 0 | 109 | L191 A192 Q193 V210 V243 V244 I246 | L191-L204 CarbonylContact C-O 3.29Å; A192-L204 HydrophobicContact CB-CG 4.38Å; A192-L204 PolarHBondContact N-O 2.73Å; Q193-L204 HydrophobicContact CB-CB 4.23Å; Q193-L204 HydrophobicContact CB-CD2 4.31Å; Q193-L204 PolarHBondContact N-O 3.27Å; Q193-L204 PolarHBondContact O-N 2.98Å; L204-V210 HydrophobicContact CD1-CG2 3.83Å; L204-V243 HydrophobicContact CD1-CB 4.24Å; L204-V243 HydrophobicContact CD1-CG1 3.92Å; L204-V244 VanDerWaalsContact CD2-O 3.32Å; L204-V244 WeakPolarHBondContact CD2-O 3.13Å; L204-I246 HydrophobicContact CB-CG2 4.08Å |
| 205 | S | 95.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 5.8 Ų | 5.8 | 1% | 0.014 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 158.1 | 172.1 | 81.9 | 0 | 0 | 0 | 0 | 111.8 | P190 S207 G208 A209 E498 | P190-S205 CarbonylContact O-C 3.54Å; P190-S205 WeakPolarHBondContact O-CA 3.33Å; S205-S207 PolarHBondContact O-N 3.36Å; S205-S207 PolarHBondContact OG-N 3.17Å; S205-G208 PolarHBondContact O-N 3.49Å; S205-G208 PolarHBondContact OG-N 3.33Å; S205-A209 PolarHBondContact N-O 3.08Å; S205-A209 WeakPolarHBondContact OG-CB 3.38Å; S205-A209 PolarHBondContact OG-N 2.72Å; S205-E498 WeakPolarHBondContact CB-OE1 3.44Å; S205-E498 WeakPolarHBondContact CB-OE2 3.42Å; S205-E498 PolarHBondContact OG-OE1 2.77Å; S205-E498 PolarHBondContact OG-OE2 3.05Å |
| 206 | L | 92.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 5.2 Ų | 5.2 | 6% | 0.063 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.9 | 171.5 | -71.7 | 176.3 | 0 | 0 | 0 | 112.6 | P190 A192 G208 V389 V391 L395 A434 L437 H444 | P190-L206 HydrophobicContact CB-CD1 4.03Å; P190-L206 HydrophobicContact CB-CG 4.45Å; P190-L206 PolarHBondContact O-N 3.09Å; A192-L206 HydrophobicContact CB-CD2 3.62Å; A192-L206 HydrophobicContact CB-CG 4.15Å; L206-G208 VanDerWaalsContact C-N 3.33Å; L206-V389 HydrophobicContact CD2-CG1 3.77Å; L206-V391 HydrophobicContact CD1-CB 4.48Å; L206-V391 HydrophobicContact CD1-CG1 3.7Å; L206-V391 HydrophobicContact CD1-CG2 4.11Å; L206-V391 HydrophobicContact CD2-CG1 4.48Å; L206-V391 HydrophobicContact CD2-CG2 3.9Å; L206-L395 HydrophobicContact CD1-CD1 4.28Å; L206-A434 HydrophobicContact CD1-CB 3.62Å; L206-L437 HydrophobicContact CB-CD1 3.59Å; L206-L437 HydrophobicContact CD1-CD1 3.87Å; L206-L437 HydrophobicContact CG-CD1 4.37Å; L206-H444 PolarHBondContact O-CD2 3.32Å |
| 207 | S | 92.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 3% | 0.028 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 9.7 | 176.5 | -37.1 | 0 | 0 | 0 | 0 | 113.5 | S205 H444 F445 E498 R501 | S205-S207 PolarHBondContact O-N 3.36Å; S205-S207 PolarHBondContact OG-N 3.17Å; S207-H444 WeakPolarHBondContact CB-O 3.46Å; S207-F445 VanDerWaalsContact C-CD1 3.49Å; S207-F445 VanDerWaalsContact O-CD1 3.26Å; S207-F445 WeakPolarHBondContact O-CD1 3.13Å; S207-E498 VanDerWaalsContact CB-CD 3.42Å; S207-E498 WeakPolarHBondContact CB-OE1 3.34Å; S207-E498 VanDerWaalsContact CB-OE2 3.23Å; S207-E498 WeakPolarHBondContact CB-OE2 3.46Å; S207-E498 PolarHBondContact OG-OE2 2.96Å; S207-R501 PolarHBondContact OG-NH1 3.46Å; S207-R501 PolarHBondContact OG-NH2 3.49Å |
| 208 | G | 92.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 79.9 | 11.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S205 L206 V243 | S205-G208 PolarHBondContact O-N 3.49Å; S205-G208 PolarHBondContact OG-N 3.33Å; L206-G208 VanDerWaalsContact C-N 3.33Å; G208-V243 VanDerWaalsContact CA-O 3.23Å; G208-V243 WeakPolarHBondContact CA-O 3.45Å |
| 209 | A | 93.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.008 | 5% | 0.054 | C | C | . | . | trans | -75.2 | 131.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | S205 F211 E498 | S205-A209 PolarHBondContact N-O 3.08Å; S205-A209 WeakPolarHBondContact OG-CB 3.38Å; S205-A209 PolarHBondContact OG-N 2.72Å; A209-F211 HydrophobicContact CB-CE2 3.79Å; A209-F211 HydrophobicContact CB-CZ 4.06Å; A209-E498 WeakPolarHBondContact CB-OE1 3.46Å | ||
| 210 | V | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.2 | -178.1 | -170 | 0 | 0 | 0 | 0 | 109.5 | F202 L204 I235 L238 V243 I246 | F202-V210 HydrophobicContact CD1-CG1 3.87Å; F202-V210 HydrophobicContact CE1-CG1 4.48Å; L204-V210 HydrophobicContact CD1-CG2 3.83Å; V210-I235 HydrophobicContact CB-CB 4.49Å; V210-I235 HydrophobicContact CB-CD1 3.86Å; V210-I235 HydrophobicContact CB-CG1 4.49Å; V210-I235 HydrophobicContact CG1-CD1 3.46Å; V210-I235 VanDerWaalsContact CG1-CD1 3.46Å; V210-I235 HydrophobicContact CG1-CG1 4.48Å; V210-I235 PolarHBondContact O-N 3.05Å; V210-L238 HydrophobicContact CB-CD1 4.33Å; V210-L238 HydrophobicContact CG2-CB 4.21Å; V210-L238 HydrophobicContact CG2-CD1 4.01Å; V210-V243 HydrophobicContact CG2-CB 4.14Å; V210-V243 HydrophobicContact CG2-CG1 4.02Å; V210-V243 HydrophobicContact CG2-CG2 4.37Å; V210-I246 HydrophobicContact CG1-CD1 3.48Å; V210-I246 VanDerWaalsContact CG1-CD1 3.48Å |
| 211 | F | 96.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 11 Ų | 11 | 3% | 0.026 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.3 | 178 | -57.8 | -90.1 | 0 | 0 | 0 | 109.5 | L186 I189 F202 A203 A209 W213 P232 C233 H234 D496 | L186-F211 HydrophobicContact CD1-CB 4.35Å; L186-F211 HydrophobicContact CD2-CB 4.12Å; L186-F211 HydrophobicContact CD2-CD1 3.71Å; L186-F211 HydrophobicContact CD2-CD2 4.15Å; L186-F211 HydrophobicContact CD2-CE1 4.15Å; L186-F211 HydrophobicContact CD2-CG 3.72Å; I189-F211 HydrophobicContact CD1-CE1 4.16Å; I189-F211 HydrophobicContact CD1-CE2 3.88Å; I189-F211 HydrophobicContact CD1-CZ 3.58Å; I189-F211 HydrophobicContact CG2-CE2 4.25Å; F202-F211 CarbonylContact C-O 3.56Å; F202-F211 WeakPolarHBondContact CA-O 3.11Å; F202-F211 WeakPolarHBondContact CD1-O 3.44Å; A203-F211 PolarHBondContact N-O 3.45Å; A203-F211 PolarHBondContact O-N 3.31Å; A209-F211 HydrophobicContact CB-CE2 3.79Å; A209-F211 HydrophobicContact CB-CZ 4.06Å; F211-W213 HydrophobicContact CB-CZ3 4.34Å; F211-W213 WeakPolarHBondContact O-CZ3 3.08Å; F211-P232 HydrophobicContact CB-CB 4.34Å; F211-C233 CarbonylContact C-O 3.59Å; F211-C233 WeakPolarHBondContact CA-O 3.35Å; F211-H234 HydrophobicContact CD1-CB 3.9Å; F211-H234 HydrophobicContact CE1-CB 3.75Å; F211-H234 AromaticContact CE1-CD2 3.79Å; F211-H234 AromaticContact CZ-CD2 3.87Å; F211-D496 HydrophobicContact CE1-CB 4.38Å; F211-D496 HydrophobicContact CZ-CB 3.96Å |
| 212 | G | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S201 F202 C233 | S201-G212 WeakPolarHBondContact O-CA 3.27Å; F202-G212 VanDerWaalsContact CE1-CA 3.43Å; G212-C233 PolarHBondContact N-O 3.02Å; G212-C233 PolarHBondContact O-N 2.96Å |
| 213 | W | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 165.5 | 175 | 62.8 | 95.9 | 0 | 0 | 0 | 112.6 | L157 Q167 G169 L183 L186 H200 S201 A203 F211 V231 P232 | L157-W213 HydrophobicContact CD2-CH2 3.98Å; L157-W213 HydrophobicContact CD2-CZ2 4.27Å; Q167-W213 VanDerWaalsContact O-CD1 3.3Å; Q167-W213 PolarHBondContact O-NE1 3.3Å; G169-W213 VanDerWaalsContact N-CD1 3.28Å; L183-W213 HydrophobicContact CD2-CH2 4.32Å; L183-W213 HydrophobicContact CD2-CZ2 3.96Å; L186-W213 HydrophobicContact CD1-CH2 4.09Å; L186-W213 HydrophobicContact CD1-CZ3 3.91Å; H200-W213 CarbonylContact C-O 3.18Å; H200-W213 WeakPolarHBondContact CA-O 3.28Å; H200-W213 WeakPolarHBondContact CB-O 3.36Å; S201-W213 PolarHBondContact N-O 3.43Å; S201-W213 PolarHBondContact O-N 3Å; A203-W213 HydrophobicContact CB-CH2 3.99Å; A203-W213 HydrophobicContact CB-CZ3 4.01Å; F211-W213 HydrophobicContact CB-CZ3 4.34Å; F211-W213 WeakPolarHBondContact O-CZ3 3.08Å; W213-V231 WeakPolarHBondContact CB-O 3.39Å; W213-P232 HydrophobicContact CD2-CB 4.22Å; W213-P232 HydrophobicContact CD2-CG 3.84Å; W213-P232 HydrophobicContact CE3-CB 3.65Å; W213-P232 HydrophobicContact CE3-CG 3.7Å; W213-P232 HydrophobicContact CG-CG 4.33Å; W213-P232 HydrophobicContact CZ3-CB 4.1Å; W213-P232 HydrophobicContact CZ3-CG 4.11Å |
| 214 | G | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 104.3 | -147.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S165 D228 R229 | S165-G214 CarbonylContact O-C 3.52Å; S165-G214 VanDerWaalsContact O-C 3.24Å; S165-G214 WeakPolarHBondContact O-CA 3.37Å; G214-D228 CarbonylContact O-C 3.56Å; G214-D228 VanDerWaalsContact O-CA 3.32Å; G214-D228 WeakPolarHBondContact O-CA 3.49Å; G214-R229 PolarHBondContact N-O 3.42Å; G214-R229 PolarHBondContact O-N 2.96Å |
| 215 | K | 97 | Very high | 95.5 | Very high | 31 Ų | 31 | 19.4 Ų | 19.4 | 14% | 0.135 | 9% | 0.091 | C | C | . | . | trans | -63.4 | 134.6 | -178.4 | -171.2 | -179.8 | -177.1 | -173.8 | 0 | 111.6 | D199 R217 Q220 D228 E251 | D199-K215 HydrophobicContact CB-CB 3.86Å; D199-K215 HydrophobicContact CB-CD 3.83Å; D199-K215 WeakPolarHBondContact O-CB 3.38Å; D199-K215 PolarHBondContact O-N 3.46Å; D199-K215 WeakPolarHBondContact OD2-CD 3.48Å; D199-K215 IonicContact OD2-NZ 2.85Å; D199-K215 PolarHBondContact OD2-NZ 3.31Å; K215-R217 HydrophobicContact CG-CG 4.4Å; K215-Q220 WeakPolarHBondContact O-CG 3.14Å; K215-D228 WeakPolarHBondContact CA-OD1 3.34Å; K215-E251 WeakPolarHBondContact CE-OE1 3.5Å; K215-E251 IonicContact NZ-OE1 3.26Å; K215-E251 PolarHBondContact NZ-OE1 3.45Å | ||
| 216 | N | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -135.1 | 15.7 | -179.9 | -163.3 | 31.2 | 0 | 0 | 0 | 114.2 | A218 G219 Q220 L221 D225 K226 Q227 D228 | N216-A218 PolarHBondContact O-N 3.17Å; N216-A218 VanDerWaalsContact O-N 3.09Å; N216-G219 PolarHBondContact O-N 2.96Å; N216-G219 VanDerWaalsContact OD1-CA 3.25Å; N216-G219 WeakPolarHBondContact OD1-CA 3.44Å; N216-Q220 PolarHBondContact O-OE1 3.43Å; N216-Q220 PolarHBondContact OD1-N 2.85Å; N216-L221 HydrophobicContact CB-CB 4.35Å; N216-L221 HydrophobicContact CB-CD1 3.72Å; N216-L221 HydrophobicContact CB-CG 3.8Å; N216-L221 WeakPolarHBondContact OD1-CB 3.29Å; N216-L221 PolarHBondContact OD1-N 2.92Å; N216-D225 PolarHBondContact ND2-O 3.04Å; N216-D225 PolarHBondContact ND2-OD1 2.96Å; N216-K226 CarbonylContact O-C 3.59Å; N216-K226 VanDerWaalsContact O-CA 3.24Å; N216-K226 WeakPolarHBondContact O-CA 3.36Å; N216-Q227 WeakPolarHBondContact CB-O 2.95Å; N216-Q227 PolarHBondContact ND2-O 2.93Å; N216-D228 PolarHBondContact N-OD1 2.74Å | ||
| 217 | R | 96.1 | Very high | 95.8 | Very high | 170 Ų | 170 | 30.7 Ų | 30.7 | 64% | 0.642 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.6 | -174.2 | -62.9 | -174.7 | -177.9 | -168.2 | -0.8 | 114.5 | K215 K226 | K215-R217 HydrophobicContact CG-CG 4.4Å; R217-K226 WeakPolarHBondContact O-CD 3.4Å |
| 218 | A | 95.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -1.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N216 G266 D267 | N216-A218 PolarHBondContact O-N 3.17Å; N216-A218 VanDerWaalsContact O-N 3.09Å; A218-G266 CarbonylContact O-C 3.54Å; A218-D267 HydrophobicContact CB-CB 3.86Å |
| 219 | G | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 85 | 15 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N216 L221 G222 | N216-G219 PolarHBondContact O-N 2.96Å; N216-G219 VanDerWaalsContact OD1-CA 3.25Å; N216-G219 WeakPolarHBondContact OD1-CA 3.44Å; G219-L221 PolarHBondContact O-N 2.94Å; G219-L221 VanDerWaalsContact O-N 3.07Å; G219-G222 PolarHBondContact O-N 3.48Å |
| 220 | Q | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.6 | -175.5 | 60.2 | -98.5 | 69.2 | 0 | 0 | 114.5 | F202 K215 N216 E251 T253 F265 | F202-Q220 WeakPolarHBondContact CZ-O 2.88Å; K215-Q220 WeakPolarHBondContact O-CG 3.14Å; N216-Q220 PolarHBondContact O-OE1 3.43Å; N216-Q220 PolarHBondContact OD1-N 2.85Å; Q220-E251 WeakPolarHBondContact CB-O 3.5Å; Q220-T253 PolarHBondContact O-OG1 3.25Å; Q220-F265 WeakPolarHBondContact O-CD2 3.41Å; Q220-F265 WeakPolarHBondContact O-CE2 3.49Å |
| 221 | L | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.2 | 173 | -58.2 | -174 | 0 | 0 | 0 | 113.4 | H200 F202 N216 G219 L223 R229 | H200-L221 HydrophobicContact CB-CD2 4.05Å; F202-L221 HydrophobicContact CE1-CD2 4.44Å; F202-L221 HydrophobicContact CE2-CD2 4.29Å; F202-L221 HydrophobicContact CZ-CD2 3.92Å; N216-L221 HydrophobicContact CB-CB 4.35Å; N216-L221 HydrophobicContact CB-CD1 3.72Å; N216-L221 HydrophobicContact CB-CG 3.8Å; N216-L221 WeakPolarHBondContact OD1-CB 3.29Å; N216-L221 PolarHBondContact OD1-N 2.92Å; G219-L221 PolarHBondContact O-N 2.94Å; G219-L221 VanDerWaalsContact O-N 3.07Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 HydrophobicContact CB-CD1 3.97Å; L221-L223 HydrophobicContact CB-CG 3.96Å; L221-L223 HydrophobicContact CD1-CD1 4.17Å; L221-L223 PolarHBondContact O-N 3.43Å; L221-R229 HydrophobicContact CD1-CB 3.82Å; L221-R229 HydrophobicContact CD1-CG 3.63Å |
| 222 | G | 95.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | trans | 70 | 26 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | G219 L282 | G219-G222 PolarHBondContact O-N 3.48Å; G222-L282 CarbonylContact C-O 3.24Å; G222-L282 VanDerWaalsContact C-O 3.23Å; G222-L282 VanDerWaalsContact CA-O 3.3Å; G222-L282 WeakPolarHBondContact CA-O 3.43Å | ||
| 223 | L | 94.9 | Very high | 96 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -95.5 | 9.1 | -174.3 | -61.9 | 175.7 | 0 | 0 | 0 | 114.2 | L221 D225 R229 C233 I235 L282 | L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 HydrophobicContact CB-CD1 3.97Å; L221-L223 HydrophobicContact CB-CG 3.96Å; L221-L223 HydrophobicContact CD1-CD1 4.17Å; L221-L223 PolarHBondContact O-N 3.43Å; L223-D225 VanDerWaalsContact C-N 3.26Å; L223-D225 PolarHBondContact O-N 2.87Å; L223-R229 HydrophobicContact CD1-CG 3.62Å; L223-C233 HydrophobicContact CD1-CB 3.79Å; L223-C233 HydrophobicContact CD2-CB 4.31Å; L223-I235 HydrophobicContact CD2-CG1 4.21Å; L223-L282 PolarHBondContact N-O 2.88Å |
| 224 | N | 95.4 | Very high | 95.8 | Very high | 104 Ų | 104 | 45 Ų | 45 | 56% | 0.556 | 22% | 0.22 | S | C | * | . | S | Bend | trans | 62.4 | 27.5 | -174.5 | -158.3 | 32.4 | 0 | 0 | 0 | 114.7 | L282 L283 | N224-L282 WeakPolarHBondContact CA-O 3.47Å; N224-L282 PolarHBondContact N-O 2.79Å; N224-L283 HydrophobicContact CB-CD1 4.04Å; N224-L283 HydrophobicContact CB-CD2 3.73Å; N224-L283 HydrophobicContact CB-CG 3.71Å |
| 225 | D | 95.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -149.6 | 179.7 | 175.8 | 68.2 | 60 | 0 | 0 | 0 | 110.6 | N216 L223 Q227 R229 | N216-D225 PolarHBondContact ND2-O 3.04Å; N216-D225 PolarHBondContact ND2-OD1 2.96Å; L223-D225 VanDerWaalsContact C-N 3.26Å; L223-D225 PolarHBondContact O-N 2.87Å; D225-Q227 PolarHBondContact OD1-N 3.25Å; D225-R229 IonicContact OD1-NH2 3.73Å; D225-R229 IonicContact OD2-CZ 2.65Å; D225-R229 IonicContact OD2-NE 3.78Å; D225-R229 IonicContact OD2-NH2 2.68Å; D225-R229 PolarHBondContact OD2-NH2 3.02Å |
| 226 | K | 96.4 | Very high | 95.4 | Very high | 126 Ų | 126 | 52 Ų | 52 | 55% | 0.548 | 25% | 0.25 | S | S | . | . | trans | -115.8 | 18.8 | 177.9 | -63.1 | -177.6 | 177.5 | -177.1 | 0 | 113.6 | N216 R217 L282 | N216-K226 CarbonylContact O-C 3.59Å; N216-K226 VanDerWaalsContact O-CA 3.24Å; N216-K226 WeakPolarHBondContact O-CA 3.36Å; R217-K226 WeakPolarHBondContact O-CD 3.4Å; K226-L282 HydrophobicContact CG-CD2 3.91Å | ||
| 227 | Q | 96.3 | Very high | 95.1 | Very high | 125 Ų | 125 | 56.9 Ų | 56.9 | 58% | 0.584 | 27% | 0.271 | S | S | * | . | trans | -92.4 | 125.6 | -175.1 | -65.6 | -173 | -3.5 | 0 | 0 | 111.4 | N216 D225 | N216-Q227 WeakPolarHBondContact CB-O 2.95Å; N216-Q227 PolarHBondContact ND2-O 2.93Å; D225-Q227 PolarHBondContact OD1-N 3.25Å | ||
| 228 | D | 96 | Very high | 94.9 | Very high | 57 Ų | 57 | 48.8 Ų | 48.8 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | trans | -58 | 139.7 | 173.3 | -63.4 | -8.4 | 0 | 0 | 0 | 110.2 | G214 K215 N216 | G214-D228 CarbonylContact O-C 3.56Å; G214-D228 VanDerWaalsContact O-CA 3.32Å; G214-D228 WeakPolarHBondContact O-CA 3.49Å; K215-D228 WeakPolarHBondContact CA-OD1 3.34Å; N216-D228 PolarHBondContact N-OD1 2.74Å | ||
| 229 | R | 96.3 | Very high | 94.4 | Very high | 71 Ų | 71 | 50.6 Ų | 50.6 | 27% | 0.268 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113.5 | -177.5 | -60.7 | -56.7 | -176.1 | 177.7 | 0.2 | 109.9 | G214 L221 L223 D225 V231 C233 | G214-R229 PolarHBondContact N-O 3.42Å; G214-R229 PolarHBondContact O-N 2.96Å; L221-R229 HydrophobicContact CD1-CB 3.82Å; L221-R229 HydrophobicContact CD1-CG 3.63Å; L223-R229 HydrophobicContact CD1-CG 3.62Å; D225-R229 IonicContact OD1-NH2 3.73Å; D225-R229 IonicContact OD2-CZ 2.65Å; D225-R229 IonicContact OD2-NE 3.78Å; D225-R229 IonicContact OD2-NH2 2.68Å; D225-R229 PolarHBondContact OD2-NH2 3.02Å; R229-V231 PolarHBondContact O-N 2.67Å; R229-C233 HydrophobicContact CG-CB 4.47Å |
| 230 | A | 95.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 3.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G169 L170 G171 K172 | G169-A230 CarbonylContact C-O 3.52Å; G169-A230 VanDerWaalsContact CA-O 3.22Å; G169-A230 WeakPolarHBondContact CA-O 3.36Å; L170-A230 PolarHBondContact N-O 3.08Å; G171-A230 WeakPolarHBondContact CA-O 3.43Å; G171-A230 PolarHBondContact N-O 3.39Å; K172-A230 HydrophobicContact CB-CB 4.35Å |
| 231 | V | 95.1 | Very high | 93.6 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 148 | 175.6 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | W213 R229 C233 | W213-V231 WeakPolarHBondContact CB-O 3.39Å; R229-V231 PolarHBondContact O-N 2.67Å; V231-C233 PolarHBondContact O-N 3.07Å; V231-C233 PolarHBondContact O-SG 3.33Å |
| 232 | P | 95.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 61 Ų | 61 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 123.2 | 173.3 | -28.7 | 36.9 | 0 | 0 | 0 | 112.3 | G169 L183 S185 L186 F211 W213 | G169-P232 WeakPolarHBondContact O-CD 3.44Å; L183-P232 HydrophobicContact CD2-CG 3.67Å; L183-P232 HydrophobicContact CG-CG 4.44Å; S185-P232 WeakPolarHBondContact OG-CD 3.37Å; S185-P232 WeakPolarHBondContact OG-CG 3.27Å; L186-P232 HydrophobicContact CD1-CB 3.91Å; L186-P232 HydrophobicContact CD1-CG 3.94Å; L186-P232 HydrophobicContact CD2-CB 3.75Å; L186-P232 HydrophobicContact CD2-CG 4.37Å; L186-P232 HydrophobicContact CG-CB 3.86Å; L186-P232 HydrophobicContact CG-CG 3.93Å; F211-P232 HydrophobicContact CB-CB 4.34Å; W213-P232 HydrophobicContact CD2-CB 4.22Å; W213-P232 HydrophobicContact CD2-CG 3.84Å; W213-P232 HydrophobicContact CE3-CB 3.65Å; W213-P232 HydrophobicContact CE3-CG 3.7Å; W213-P232 HydrophobicContact CG-CG 4.33Å; W213-P232 HydrophobicContact CZ3-CB 4.1Å; W213-P232 HydrophobicContact CZ3-CG 4.11Å |
| 233 | C | 95 | Very high | 93.4 | Very high | 29 Ų | 29 | 61 Ų | 61 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.3 | 179.9 | -68.8 | 0 | 0 | 0 | 0 | 110.2 | F211 G212 L223 R229 V231 | F211-C233 CarbonylContact C-O 3.59Å; F211-C233 WeakPolarHBondContact CA-O 3.35Å; G212-C233 PolarHBondContact N-O 3.02Å; G212-C233 PolarHBondContact O-N 2.96Å; L223-C233 HydrophobicContact CD1-CB 3.79Å; L223-C233 HydrophobicContact CD2-CB 4.31Å; R229-C233 HydrophobicContact CG-CB 4.47Å; V231-C233 PolarHBondContact O-N 3.07Å; V231-C233 PolarHBondContact O-SG 3.33Å |
| 234 | H | 93.4 | Very high | 93.4 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 19% | 0.185 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.4 | -179.4 | 178.3 | -98.5 | 0 | 0 | 0 | 112.3 | F211 K236 R239 | F211-H234 HydrophobicContact CD1-CB 3.9Å; F211-H234 HydrophobicContact CE1-CB 3.75Å; F211-H234 AromaticContact CE1-CD2 3.79Å; F211-H234 AromaticContact CZ-CD2 3.87Å; H234-K236 PolarHBondContact O-N 3.38Å; H234-R239 PolarHBondContact CE1-NH1 3.03Å; H234-R239 PolarHBondContact NE2-NH1 3.19Å; H234-R239 VanDerWaalsContact NE2-NH1 3.17Å |
| 235 | I | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | trans | -86.7 | 88.3 | 179.7 | -50.1 | 165.8 | 0 | 0 | 0 | 109.4 | F202 V210 L223 F237 L238 F265 P284 | F202-I235 HydrophobicContact CD1-CD1 3.96Å; F202-I235 HydrophobicContact CE1-CD1 3.43Å; F202-I235 VanDerWaalsContact CE1-CD1 3.43Å; V210-I235 HydrophobicContact CB-CB 4.49Å; V210-I235 HydrophobicContact CB-CD1 3.86Å; V210-I235 HydrophobicContact CB-CG1 4.49Å; V210-I235 HydrophobicContact CG1-CD1 3.46Å; V210-I235 VanDerWaalsContact CG1-CD1 3.46Å; V210-I235 HydrophobicContact CG1-CG1 4.48Å; V210-I235 PolarHBondContact O-N 3.05Å; L223-I235 HydrophobicContact CD2-CG1 4.21Å; I235-F237 PolarHBondContact O-N 2.89Å; I235-F237 VanDerWaalsContact O-N 3.08Å; I235-L238 HydrophobicContact CD1-CD1 4.3Å; I235-L238 HydrophobicContact CG2-CB 4.48Å; I235-L238 HydrophobicContact CG2-CD1 4.12Å; I235-L238 HydrophobicContact CG2-CG 4.12Å; I235-L238 PolarHBondContact O-N 2.86Å; I235-L238 VanDerWaalsContact O-N 3.11Å; I235-F265 HydrophobicContact CD1-CZ 4.43Å; I235-P284 HydrophobicContact CG2-CG 3.97Å | ||
| 236 | K | 90.5 | Very high | 93.4 | Very high | 177 Ų | 177 | 55.6 Ų | 55.6 | 77% | 0.77 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -54.5 | -33.2 | -173.5 | -64.5 | -178.9 | -179 | 178.4 | 0 | 114.2 | H234 L238 R239 | H234-K236 PolarHBondContact O-N 3.38Å; K236-L238 VanDerWaalsContact C-N 3.28Å; K236-L238 PolarHBondContact O-N 3.42Å; K236-R239 PolarHBondContact O-N 3.48Å |
| 237 | F | 90.7 | Very high | 93.4 | Very high | 101 Ų | 101 | 50.3 Ų | 50.3 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -62.2 | -32.8 | -178.5 | -171.2 | -89.3 | 0 | 0 | 0 | 113.3 | I235 F263 P284 | I235-F237 PolarHBondContact O-N 2.89Å; I235-F237 VanDerWaalsContact O-N 3.08Å; F237-F263 HydrophobicContact CE1-CD1 4.24Å; F237-F263 AromaticContact CE1-CE1 3.96Å; F237-F263 HydrophobicContact CE1-CE1 3.96Å; F237-P284 HydrophobicContact CB-CG 4.43Å; F237-P284 HydrophobicContact CD1-CB 3.79Å; F237-P284 HydrophobicContact CD1-CG 4.08Å; F237-P284 HydrophobicContact CE1-CB 4.2Å; F237-P284 WeakPolarHBondContact CE1-O 3.36Å |
| 238 | L | 92.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -87.8 | -13.2 | -176.1 | -69.4 | 178.2 | 0 | 0 | 0 | 114 | V210 I235 K236 S240 Q241 V243 A255 F263 F265 P284 | V210-L238 HydrophobicContact CB-CD1 4.33Å; V210-L238 HydrophobicContact CG2-CB 4.21Å; V210-L238 HydrophobicContact CG2-CD1 4.01Å; I235-L238 HydrophobicContact CD1-CD1 4.3Å; I235-L238 HydrophobicContact CG2-CB 4.48Å; I235-L238 HydrophobicContact CG2-CD1 4.12Å; I235-L238 HydrophobicContact CG2-CG 4.12Å; I235-L238 PolarHBondContact O-N 2.86Å; I235-L238 VanDerWaalsContact O-N 3.11Å; K236-L238 VanDerWaalsContact C-N 3.28Å; K236-L238 PolarHBondContact O-N 3.42Å; L238-S240 VanDerWaalsContact C-N 3.27Å; L238-S240 PolarHBondContact O-N 3.46Å; L238-Q241 HydrophobicContact CD2-CG 4.43Å; L238-Q241 WeakPolarHBondContact O-CB 3.4Å; L238-Q241 PolarHBondContact O-N 3.2Å; L238-V243 HydrophobicContact CB-CG2 3.92Å; L238-V243 HydrophobicContact CD1-CG2 4.4Å; L238-V243 HydrophobicContact CD2-CG2 4.05Å; L238-V243 HydrophobicContact CG-CG2 4.34Å; L238-A255 HydrophobicContact CD1-CB 4.11Å; L238-F263 HydrophobicContact CD2-CB 4.42Å; L238-F263 HydrophobicContact CD2-CD1 4.41Å; L238-F263 HydrophobicContact CD2-CG 4.25Å; L238-F265 HydrophobicContact CD1-CE1 4.3Å; L238-F265 HydrophobicContact CD1-CZ 4.48Å; L238-P284 HydrophobicContact CD1-CB 4.44Å; L238-P284 HydrophobicContact CD1-CG 4.1Å; L238-P284 HydrophobicContact CD2-CB 3.79Å; L238-P284 HydrophobicContact CD2-CG 4.15Å; L238-P284 HydrophobicContact CG-CB 4.13Å; L238-P284 HydrophobicContact CG-CG 3.91Å |
| 239 | R | 85.2 | Confident | 93.3 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 16% | 0.158 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -57.2 | -39.3 | -172.6 | -167.2 | 176.9 | -170.8 | 105.5 | 0.1 | 113.2 | H234 K236 Q241 T447 D496 | H234-R239 PolarHBondContact CE1-NH1 3.03Å; H234-R239 PolarHBondContact NE2-NH1 3.19Å; H234-R239 VanDerWaalsContact NE2-NH1 3.17Å; K236-R239 PolarHBondContact O-N 3.48Å; R239-Q241 VanDerWaalsContact C-N 3.34Å; R239-T447 PolarHBondContact NE-O 3.45Å; R239-T447 PolarHBondContact NH2-O 3Å; R239-D496 IonicContact CZ-OD1 2.69Å; R239-D496 IonicContact CZ-OD2 2.76Å; R239-D496 IonicContact NH1-OD1 3.31Å; R239-D496 PolarHBondContact NH1-OD1 3.46Å; R239-D496 IonicContact NH1-OD2 2.78Å; R239-D496 PolarHBondContact NH1-OD2 3.44Å; R239-D496 IonicContact NH2-OD1 3.77Å; R239-D496 PolarHBondContact NH2-OD1 3.37Å; R239-D496 VanDerWaalsContact NH2-OD1 3.11Å; R239-D496 IonicContact NH2-OD2 3.66Å |
| 240 | S | 82.4 | Confident | 93.2 | Very high | 102 Ų | 102 | 40.5 Ų | 40.5 | 71% | 0.713 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -92.2 | 7.7 | -178.6 | -50.9 | 0 | 0 | 0 | 0 | 113.7 | L238 | L238-S240 VanDerWaalsContact C-N 3.27Å; L238-S240 PolarHBondContact O-N 3.46Å |
| 241 | Q | 91.3 | Very high | 93.2 | Very high | 72 Ų | 72 | 41.8 Ų | 41.8 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -98.7 | 2 | -173.6 | -56.9 | -59.2 | -42.2 | 0 | 0 | 113.3 | L238 R239 V243 T257 F263 | L238-Q241 HydrophobicContact CD2-CG 4.43Å; L238-Q241 WeakPolarHBondContact O-CB 3.4Å; L238-Q241 PolarHBondContact O-N 3.2Å; R239-Q241 VanDerWaalsContact C-N 3.34Å; Q241-V243 HydrophobicContact CB-CG2 4.3Å; Q241-V243 PolarHBondContact O-N 3.21Å; Q241-T257 HydrophobicContact CB-CG2 4.06Å; Q241-T257 WeakPolarHBondContact O-CB 3.48Å; Q241-T257 WeakPolarHBondContact O-CG2 3.47Å; Q241-F263 HydrophobicContact CG-CZ 4.21Å |
| 242 | K | 93.3 | Very high | 93.3 | Very high | 46 Ų | 46 | 38.5 Ų | 38.5 | 20% | 0.2 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 51.3 | -176.6 | -55.2 | -176.9 | 175.6 | -173.6 | 0 | 112.5 | V244 T257 K258 D442 F445 | K242-V244 PolarHBondContact O-N 3.22Å; K242-T257 CarbonylContact O-C 3.51Å; K242-T257 WeakPolarHBondContact O-CA 3.28Å; K242-K258 HydrophobicContact CB-CB 4.2Å; K242-K258 PolarHBondContact O-N 3.47Å; K242-D442 IonicContact NZ-OD2 2.8Å; K242-D442 PolarHBondContact NZ-OD2 3Å; K242-F445 HydrophobicContact CB-CD1 3.97Å; K242-F445 HydrophobicContact CB-CE1 4.24Å; K242-F445 HydrophobicContact CB-CG 4.12Å; K242-F445 HydrophobicContact CD-CD2 4.5Å; K242-F445 HydrophobicContact CG-CB 3.91Å; K242-F445 HydrophobicContact CG-CD1 4.23Å; K242-F445 HydrophobicContact CG-CD2 4.3Å; K242-F445 HydrophobicContact CG-CG 3.91Å |
| 243 | V | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 133.1 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | L204 G208 V210 L238 Q241 A255 T257 | L204-V243 HydrophobicContact CD1-CB 4.24Å; L204-V243 HydrophobicContact CD1-CG1 3.92Å; G208-V243 VanDerWaalsContact CA-O 3.23Å; G208-V243 WeakPolarHBondContact CA-O 3.45Å; V210-V243 HydrophobicContact CG2-CB 4.14Å; V210-V243 HydrophobicContact CG2-CG1 4.02Å; V210-V243 HydrophobicContact CG2-CG2 4.37Å; L238-V243 HydrophobicContact CB-CG2 3.92Å; L238-V243 HydrophobicContact CD1-CG2 4.4Å; L238-V243 HydrophobicContact CD2-CG2 4.05Å; L238-V243 HydrophobicContact CG-CG2 4.34Å; Q241-V243 HydrophobicContact CB-CG2 4.3Å; Q241-V243 PolarHBondContact O-N 3.21Å; V243-A255 HydrophobicContact CG1-CB 4.05Å; V243-A255 HydrophobicContact CG2-CB 4.49Å; V243-T257 HydrophobicContact CG2-CG2 4.47Å |
| 244 | V | 94.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | -16.7 | -176.2 | -69.6 | 0 | 0 | 0 | 0 | 113.1 | L204 K242 L256 K258 R387 V389 F445 | L204-V244 VanDerWaalsContact CD2-O 3.32Å; L204-V244 WeakPolarHBondContact CD2-O 3.13Å; K242-V244 PolarHBondContact O-N 3.22Å; V244-L256 WeakPolarHBondContact CG2-O 3.3Å; V244-L256 PolarHBondContact N-O 3.4Å; V244-K258 HydrophobicContact CG1-CB 3.81Å; V244-K258 HydrophobicContact CG1-CG 4.29Å; V244-K258 HydrophobicContact CG2-CB 4.49Å; V244-R387 HydrophobicContact CG2-CB 4.33Å; V244-V389 HydrophobicContact CB-CG2 3.8Å; V244-V389 HydrophobicContact CG1-CG2 4.04Å; V244-F445 HydrophobicContact CG1-CE1 4.17Å; V244-F445 HydrophobicContact CG1-CZ 3.83Å |
| 245 | Y | 95.8 | Very high | 93.7 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 143.3 | 176.3 | -170.9 | -93.3 | 0 | 0 | 0 | 111.2 | Q193 C247 L256 I298 F386 | Q193-Y245 VanDerWaalsContact OE1-CD2 3.26Å; Y245-C247 HydrophobicContact CE1-CB 4.07Å; Y245-L256 PolarHBondContact N-O 3.44Å; Y245-L256 PolarHBondContact O-N 3.11Å; Y245-I298 HydrophobicContact CD1-CD1 3.98Å; Y245-I298 HydrophobicContact CD1-CG1 3.56Å; Y245-I298 HydrophobicContact CE1-CD1 4.48Å; Y245-I298 HydrophobicContact CE1-CG1 3.81Å; Y245-F386 HydrophobicContact CD1-CB 4.48Å; Y245-F386 AromaticContact CD1-CD2 3.94Å; Y245-F386 HydrophobicContact CD1-CD2 3.94Å; Y245-F386 HydrophobicContact CD2-CB 3.91Å; Y245-F386 HydrophobicContact CD2-CD2 4.07Å; Y245-F386 HydrophobicContact CD2-CG 4.11Å; Y245-F386 AromaticContact CE1-CD2 3.65Å; Y245-F386 HydrophobicContact CE1-CD2 3.65Å; Y245-F386 HydrophobicContact CE1-CE2 4.03Å; Y245-F386 HydrophobicContact CE2-CB 4.39Å; Y245-F386 AromaticContact CE2-CD2 3.79Å; Y245-F386 HydrophobicContact CE2-CD2 3.79Å; Y245-F386 HydrophobicContact CE2-CE2 4.22Å; Y245-F386 HydrophobicContact CE2-CG 4.07Å; Y245-F386 HydrophobicContact CG-CB 3.95Å; Y245-F386 HydrophobicContact CG-CD2 4.13Å; Y245-F386 HydrophobicContact CG-CG 4.38Å; Y245-F386 AromaticContact CZ-CD2 3.57Å; Y245-F386 AromaticContact CZ-CE2 3.74Å |
| 246 | I | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.5 | 177.8 | -171.4 | 162.2 | 0 | 0 | 0 | 110.5 | Q193 T195 F202 L204 V210 T253 | Q193-I246 PolarHBondContact NE2-O 3.21Å; Q193-I246 VanDerWaalsContact NE2-O 3.1Å; T195-I246 HydrophobicContact CG2-CB 4.33Å; T195-I246 HydrophobicContact CG2-CG1 4.07Å; T195-I246 HydrophobicContact CG2-CG2 3.57Å; F202-I246 HydrophobicContact CB-CD1 3.86Å; F202-I246 HydrophobicContact CD1-CD1 3.79Å; F202-I246 HydrophobicContact CD2-CD1 4.34Å; F202-I246 HydrophobicContact CE1-CD1 4.39Å; F202-I246 HydrophobicContact CG-CD1 3.76Å; L204-I246 HydrophobicContact CB-CG2 4.08Å; V210-I246 HydrophobicContact CG1-CD1 3.48Å; V210-I246 VanDerWaalsContact CG1-CD1 3.48Å; I246-T253 HydrophobicContact CD1-CG2 3.86Å; I246-T253 HydrophobicContact CG1-CG2 3.87Å |
| 247 | C | 95.4 | Very high | 94 | Very high | 16 Ų | 16 | 26 Ų | 26 | 11% | 0.108 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 139.2 | 178.3 | -168.6 | 0 | 0 | 0 | 0 | 110.5 | Y245 A254 I298 C300 | Y245-C247 HydrophobicContact CE1-CB 4.07Å; C247-A254 PolarHBondContact N-O 3.17Å; C247-A254 PolarHBondContact O-N 2.81Å; C247-I298 HydrophobicContact CB-CD1 4.21Å; C247-I298 HydrophobicContact CB-CG1 4.35Å; C247-C300 HydrophobicContact CB-CB 4.47Å; C247-C300 PolarHBondContact SG-N 2.72Å |
| 248 | C | 95.6 | Very high | 94 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 7% | 0.074 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.7 | -177.2 | -62 | 0 | 0 | 0 | 0 | 111 | T195 G197 F202 C300 | T195-C248 WeakPolarHBondContact CG2-SG 3.47Å; G197-C248 VanDerWaalsContact CA-CB 3.4Å; F202-C248 WeakPolarHBondContact CD2-SG 3.4Å; C248-C300 VanDerWaalsContact C-CB 3.46Å; C248-C300 WeakPolarHBondContact O-CB 3.43Å |
| 249 | G | 94.7 | Very high | 94 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | trans | -93.3 | -159.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G197 G198 H252 G301 | G197-G249 WeakPolarHBondContact CA-O 3.28Å; G198-G249 PolarHBondContact N-O 3.08Å; G249-H252 PolarHBondContact N-O 3.02Å; G249-G301 WeakPolarHBondContact CA-O 3.38Å | ||
| 250 | D | 93.4 | Very high | 94.3 | Very high | 30 Ų | 30 | 27.9 Ų | 27.9 | 16% | 0.16 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -69.6 | -50.2 | -179.4 | -158 | 31 | 0 | 0 | 0 | 110.9 | N145 G198 H200 R302 | N145-D250 PolarHBondContact ND2-OD1 3.22Å; G198-D250 WeakPolarHBondContact CA-O 3.46Å; G198-D250 WeakPolarHBondContact CA-OD1 3.26Å; G198-D250 PolarHBondContact N-O 2.91Å; H200-D250 PolarHBondContact CE1-O 3.29Å; D250-R302 HydrophobicContact CB-CG 3.64Å; D250-R302 WeakPolarHBondContact CB-O 3.26Å; D250-R302 PolarHBondContact N-O 2.97Å |
| 251 | E | 95.9 | Very high | 94.9 | Very high | 51 Ų | 51 | 23.1 Ų | 23.1 | 24% | 0.238 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -130.1 | 17.7 | -178.9 | -57.1 | -157.4 | 155.9 | 0 | 0 | 114 | K215 Q220 D267 | K215-E251 WeakPolarHBondContact CE-OE1 3.5Å; K215-E251 IonicContact NZ-OE1 3.26Å; K215-E251 PolarHBondContact NZ-OE1 3.45Å; Q220-E251 WeakPolarHBondContact CB-O 3.5Å; E251-D267 HydrophobicContact CB-CB 3.8Å; E251-D267 WeakPolarHBondContact O-CB 3.45Å; E251-D267 PolarHBondContact O-N 3.48Å |
| 252 | H | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 162.7 | 174 | 75.5 | -70.7 | 0 | 0 | 0 | 111.8 | G249 F265 Q272 L273 T305 | G249-H252 PolarHBondContact N-O 3.02Å; H252-F265 CarbonylContact C-O 3.54Å; H252-F265 WeakPolarHBondContact CA-O 3.34Å; H252-F265 WeakPolarHBondContact CB-O 3.35Å; H252-Q272 HydrophobicContact CB-CG 4.16Å; H252-L273 HydrophobicContact CB-CD2 3.83Å; H252-T305 PolarHBondContact NE2-OG1 3.04Å |
| 253 | T | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144.1 | 178.9 | -67.2 | 0 | 0 | 0 | 0 | 110.4 | H200 F202 Q220 I246 T264 F265 | H200-T253 PolarHBondContact NE2-OG1 3.38Å; F202-T253 HydrophobicContact CD2-CG2 4.38Å; F202-T253 HydrophobicContact CE2-CG2 3.82Å; F202-T253 WeakPolarHBondContact CE2-OG1 3.3Å; F202-T253 HydrophobicContact CZ-CG2 3.96Å; Q220-T253 PolarHBondContact O-OG1 3.25Å; I246-T253 HydrophobicContact CD1-CG2 3.86Å; I246-T253 HydrophobicContact CG1-CG2 3.87Å; T253-T264 WeakPolarHBondContact O-CA 3.47Å; T253-F265 HydrophobicContact CG2-CE1 4.05Å; T253-F265 HydrophobicContact CG2-CE2 3.9Å; T253-F265 HydrophobicContact CG2-CZ 3.46Å; T253-F265 VanDerWaalsContact CG2-CZ 3.46Å; T253-F265 PolarHBondContact N-O 3.33Å; T253-F265 PolarHBondContact O-N 3.03Å |
| 254 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | C247 L262 F263 T264 I298 | C247-A254 PolarHBondContact N-O 3.17Å; C247-A254 PolarHBondContact O-N 2.81Å; A254-L262 HydrophobicContact CB-CD1 4.19Å; A254-F263 CarbonylContact C-O 3.56Å; A254-F263 VanDerWaalsContact CA-O 3.24Å; A254-F263 WeakPolarHBondContact CA-O 3.44Å; A254-T264 HydrophobicContact CB-CG2 4.04Å; A254-I298 HydrophobicContact CB-CD1 3.88Å |
| 255 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | L238 V243 F263 | L238-A255 HydrophobicContact CD1-CB 4.11Å; V243-A255 HydrophobicContact CG1-CB 4.05Å; V243-A255 HydrophobicContact CG2-CB 4.49Å; A255-F263 HydrophobicContact CB-CB 4.42Å; A255-F263 PolarHBondContact N-O 2.67Å; A255-F263 PolarHBondContact O-N 2.93Å |
| 256 | L | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.2 | 179.6 | -179.1 | 65.7 | 0 | 0 | 0 | 109.9 | V244 Y245 V295 I298 F386 R387 | V244-L256 WeakPolarHBondContact CG2-O 3.3Å; V244-L256 PolarHBondContact N-O 3.4Å; Y245-L256 PolarHBondContact N-O 3.44Å; Y245-L256 PolarHBondContact O-N 3.11Å; L256-V295 HydrophobicContact CD1-CB 3.86Å; L256-V295 HydrophobicContact CD1-CG1 3.9Å; L256-V295 WeakPolarHBondContact CD1-O 3.38Å; L256-I298 HydrophobicContact CB-CD1 3.88Å; L256-I298 HydrophobicContact CB-CG1 4.22Å; L256-I298 HydrophobicContact CD1-CG2 4.45Å; L256-F386 HydrophobicContact CD2-CB 4.23Å; L256-R387 HydrophobicContact CD2-CG 4.07Å; L256-R387 HydrophobicContact CG-CG 4.44Å |
| 257 | T | 95.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 15.7 Ų | 15.7 | 4% | 0.043 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 159.1 | 176 | 71.7 | 0 | 0 | 0 | 0 | 112.3 | Q241 K242 V243 D259 G260 G261 F263 | Q241-T257 HydrophobicContact CB-CG2 4.06Å; Q241-T257 WeakPolarHBondContact O-CB 3.48Å; Q241-T257 WeakPolarHBondContact O-CG2 3.47Å; K242-T257 CarbonylContact O-C 3.51Å; K242-T257 WeakPolarHBondContact O-CA 3.28Å; V243-T257 HydrophobicContact CG2-CG2 4.47Å; T257-D259 PolarHBondContact O-N 2.96Å; T257-G260 PolarHBondContact O-N 3.47Å; T257-G261 PolarHBondContact N-O 3.38Å; T257-G261 WeakPolarHBondContact OG1-CA 3.48Å; T257-G261 PolarHBondContact OG1-N 3.29Å; T257-G261 PolarHBondContact OG1-O 3Å; T257-F263 HydrophobicContact CG2-CD2 3.89Å; T257-F263 HydrophobicContact CG2-CE2 3.55Å |
| 258 | K | 91.9 | Very high | 95.6 | Very high | 73 Ų | 73 | 15 Ų | 15 | 32% | 0.317 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33 | 175.8 | -165.9 | -178.8 | 178.8 | -169.6 | 0 | 112.6 | K242 V244 G260 R387 D442 F445 | K242-K258 HydrophobicContact CB-CB 4.2Å; K242-K258 PolarHBondContact O-N 3.47Å; V244-K258 HydrophobicContact CG1-CB 3.81Å; V244-K258 HydrophobicContact CG1-CG 4.29Å; V244-K258 HydrophobicContact CG2-CB 4.49Å; K258-G260 PolarHBondContact O-N 3.04Å; K258-R387 WeakPolarHBondContact O-CD 3.5Å; K258-D442 WeakPolarHBondContact CD-OD2 3.28Å; K258-D442 IonicContact NZ-OD1 3.54Å; K258-D442 PolarHBondContact NZ-OD1 3.23Å; K258-D442 IonicContact NZ-OD2 3.69Å; K258-D442 PolarHBondContact NZ-OD2 3.14Å; K258-F445 HydrophobicContact CD-CE2 4.22Å |
| 259 | D | 90.8 | Very high | 95.6 | Very high | 106 Ų | 106 | 17.5 Ų | 17.5 | 57% | 0.567 | 10% | 0.096 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 7.8 | 178.5 | -52 | -41.2 | 0 | 0 | 0 | 113 | T257 | T257-D259 PolarHBondContact O-N 2.96Š|
| 260 | G | 92.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 78.5 | 18.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | T257 K258 V295 | T257-G260 PolarHBondContact O-N 3.47Å; K258-G260 PolarHBondContact O-N 3.04Å; G260-V295 VanDerWaalsContact CA-O 3.27Å; G260-V295 WeakPolarHBondContact CA-O 3.48Å; G260-V295 WeakPolarHBondContact O-CB 3.42Å; G260-V295 PolarHBondContact O-N 3.17Å |
| 261 | G | 94.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | trans | -79.4 | 130.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | T257 | T257-G261 PolarHBondContact N-O 3.38Å; T257-G261 WeakPolarHBondContact OG1-CA 3.48Å; T257-G261 PolarHBondContact OG1-N 3.29Å; T257-G261 PolarHBondContact OG1-O 3Å | ||
| 262 | L | 96 | Very high | 95.6 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.2 | 176.7 | 179.5 | 53.7 | 0 | 0 | 0 | 111.7 | A254 T264 R286 V287 L290 V295 I298 A307 F318 | A254-L262 HydrophobicContact CB-CD1 4.19Å; L262-T264 HydrophobicContact CD1-CG2 4.24Å; L262-T264 HydrophobicContact CG-CG2 4.22Å; L262-R286 WeakPolarHBondContact O-CA 3.5Å; L262-V287 HydrophobicContact CD2-CG2 4.14Å; L262-V287 HydrophobicContact CG-CB 4.47Å; L262-V287 HydrophobicContact CG-CG2 3.97Å; L262-V287 PolarHBondContact O-N 2.9Å; L262-L290 HydrophobicContact CD2-CD1 3.9Å; L262-V295 HydrophobicContact CB-CG2 4.39Å; L262-I298 HydrophobicContact CD1-CD1 4.29Å; L262-I298 HydrophobicContact CD1-CG2 3.74Å; L262-I298 HydrophobicContact CD2-CG2 4.44Å; L262-A307 HydrophobicContact CD2-CB 4.11Å; L262-F318 HydrophobicContact CD2-CE1 4.49Å; L262-F318 HydrophobicContact CD2-CZ 4.06Å |
| 263 | F | 96.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 18.4 Ų | 18.4 | 4% | 0.044 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.4 | 171.9 | -67.5 | -100.7 | 0 | 0 | 0 | 110.3 | F237 L238 Q241 A254 A255 T257 P284 R285 R286 | F237-F263 HydrophobicContact CE1-CD1 4.24Å; F237-F263 AromaticContact CE1-CE1 3.96Å; F237-F263 HydrophobicContact CE1-CE1 3.96Å; L238-F263 HydrophobicContact CD2-CB 4.42Å; L238-F263 HydrophobicContact CD2-CD1 4.41Å; L238-F263 HydrophobicContact CD2-CG 4.25Å; Q241-F263 HydrophobicContact CG-CZ 4.21Å; A254-F263 CarbonylContact C-O 3.56Å; A254-F263 VanDerWaalsContact CA-O 3.24Å; A254-F263 WeakPolarHBondContact CA-O 3.44Å; A255-F263 HydrophobicContact CB-CB 4.42Å; A255-F263 PolarHBondContact N-O 2.67Å; A255-F263 PolarHBondContact O-N 2.93Å; T257-F263 HydrophobicContact CG2-CD2 3.89Å; T257-F263 HydrophobicContact CG2-CE2 3.55Å; F263-P284 HydrophobicContact CB-CB 4.39Å; F263-P284 HydrophobicContact CD1-CB 4.36Å; F263-R285 CarbonylContact C-O 3.5Å; F263-R285 WeakPolarHBondContact CA-O 3.5Å; F263-R286 HydrophobicContact CD1-CB 3.99Å; F263-R286 HydrophobicContact CE1-CB 3.73Å; F263-R286 HydrophobicContact CE1-CG 4.42Å; F263-R286 HydrophobicContact CE2-CG 4.5Å; F263-R286 HydrophobicContact CZ-CB 4.09Å; F263-R286 HydrophobicContact CZ-CG 4.3Å |
| 264 | T | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.4 | 178.5 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | T253 A254 L262 L273 H275 R285 V287 F318 | T253-T264 WeakPolarHBondContact O-CA 3.47Å; A254-T264 HydrophobicContact CB-CG2 4.04Å; L262-T264 HydrophobicContact CD1-CG2 4.24Å; L262-T264 HydrophobicContact CG-CG2 4.22Å; T264-L273 WeakPolarHBondContact CB-O 3.07Å; T264-L273 PolarHBondContact OG1-O 2.74Å; T264-H275 PolarHBondContact O-NE2 3.42Å; T264-H275 PolarHBondContact OG1-CE1 3.33Å; T264-H275 VanDerWaalsContact OG1-CE1 3.26Å; T264-H275 PolarHBondContact OG1-NE2 3.38Å; T264-R285 PolarHBondContact N-O 3.11Å; T264-R285 PolarHBondContact O-N 2.67Å; T264-R285 VanDerWaalsContact O-N 3.16Å; T264-V287 HydrophobicContact CG2-CG2 3.87Å; T264-V287 WeakPolarHBondContact OG1-CG2 3.47Å; T264-F318 HydrophobicContact CG2-CE2 4.47Å |
| 265 | F | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 162.5 | -179.8 | 50.6 | -80.9 | 0 | 0 | 0 | 112.4 | F202 Q220 I235 L238 H252 T253 E281 P284 | F202-F265 HydrophobicContact CZ-CE2 4.09Å; F202-F265 HydrophobicContact CZ-CZ 4.44Å; Q220-F265 WeakPolarHBondContact O-CD2 3.41Å; Q220-F265 WeakPolarHBondContact O-CE2 3.49Å; I235-F265 HydrophobicContact CD1-CZ 4.43Å; L238-F265 HydrophobicContact CD1-CE1 4.3Å; L238-F265 HydrophobicContact CD1-CZ 4.48Å; H252-F265 CarbonylContact C-O 3.54Å; H252-F265 WeakPolarHBondContact CA-O 3.34Å; H252-F265 WeakPolarHBondContact CB-O 3.35Å; T253-F265 HydrophobicContact CG2-CE1 4.05Å; T253-F265 HydrophobicContact CG2-CE2 3.9Å; T253-F265 HydrophobicContact CG2-CZ 3.46Å; T253-F265 VanDerWaalsContact CG2-CZ 3.46Å; T253-F265 PolarHBondContact N-O 3.33Å; T253-F265 PolarHBondContact O-N 3.03Å; F265-E281 HydrophobicContact CB-CB 4.44Å; F265-P284 HydrophobicContact CD1-CB 3.58Å; F265-P284 HydrophobicContact CD1-CG 3.74Å; F265-P284 HydrophobicContact CE1-CB 3.9Å; F265-P284 HydrophobicContact CE1-CG 3.83Å; F265-P284 HydrophobicContact CG-CB 4.29Å; F265-P284 HydrophobicContact CG-CG 4.15Å; F265-P284 HydrophobicContact CZ-CG 4.3Å |
| 266 | G | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 107.4 | -143.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A218 G268 N280 E281 | A218-G266 CarbonylContact O-C 3.54Å; G266-G268 PolarHBondContact O-N 3.27Å; G266-N280 VanDerWaalsContact O-CA 3.24Å; G266-N280 WeakPolarHBondContact O-CA 3.28Å; G266-N280 WeakPolarHBondContact O-CB 3.07Å; G266-E281 PolarHBondContact N-O 3.37Å; G266-E281 PolarHBondContact O-N 2.79Å |
| 267 | D | 97.1 | Very high | 94.9 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 6% | 0.059 | 13% | 0.131 | C | C | . | . | trans | -65 | 130.3 | 179.2 | -177.7 | 48.2 | 0 | 0 | 0 | 111.4 | A218 E251 S269 Q272 L273 N280 | A218-D267 HydrophobicContact CB-CB 3.86Å; E251-D267 HydrophobicContact CB-CB 3.8Å; E251-D267 WeakPolarHBondContact O-CB 3.45Å; E251-D267 PolarHBondContact O-N 3.48Å; D267-S269 WeakPolarHBondContact OD1-CB 3.27Å; D267-S269 PolarHBondContact OD1-N 3.28Å; D267-S269 PolarHBondContact OD1-OG 2.93Å; D267-Q272 VanDerWaalsContact O-CG 3.22Å; D267-Q272 WeakPolarHBondContact O-CG 3.41Å; D267-Q272 PolarHBondContact O-NE2 3.13Å; D267-Q272 VanDerWaalsContact O-NE2 3.13Å; D267-Q272 PolarHBondContact OD2-NE2 3.04Å; D267-L273 WeakPolarHBondContact O-CD2 3.27Å; D267-L273 WeakPolarHBondContact O-CG 3.38Å; D267-N280 PolarHBondContact OD1-OD1 2.96Å; D267-N280 VanDerWaalsContact OD1-OD1 3.14Å | ||
| 268 | G | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -114.4 | 4.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G266 W270 G271 Q272 T278 N280 | G266-G268 PolarHBondContact O-N 3.27Å; G268-W270 PolarHBondContact O-N 2.87Å; G268-G271 PolarHBondContact O-N 3.36Å; G268-Q272 PolarHBondContact O-OE1 2.94Å; G268-T278 CarbonylContact C-O 3.26Å; G268-T278 CarbonylContact O-C 3.02Å; G268-T278 WeakPolarHBondContact O-CA 3.18Å; G268-N280 PolarHBondContact N-OD1 2.89Å | ||
| 269 | S | 95.6 | Very high | 95.1 | Very high | 65 Ų | 65 | 27.4 Ų | 27.4 | 46% | 0.455 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.8 | -169.2 | -63 | 0 | 0 | 0 | 0 | 114.8 | D267 | D267-S269 WeakPolarHBondContact OD1-CB 3.27Å; D267-S269 PolarHBondContact OD1-N 3.28Å; D267-S269 PolarHBondContact OD1-OG 2.93Å |
| 270 | W | 93.6 | Very high | 95.3 | Very high | 104 Ų | 104 | 25 Ų | 25 | 39% | 0.394 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 5.5 | -179.6 | -54.7 | 100.9 | 0 | 0 | 0 | 113.8 | G268 H303 G319 C320 | G268-W270 PolarHBondContact O-N 2.87Å; W270-H303 AromaticContact CD1-CG 3.88Å; W270-H303 AromaticContact CD1-ND1 3.99Å; W270-H303 HydrophobicContact CG-CB 4.3Å; W270-G319 CarbonylContact O-C 3.59Å; W270-G319 VanDerWaalsContact O-CA 3.25Å; W270-G319 WeakPolarHBondContact O-CA 3.5Å; W270-C320 HydrophobicContact CB-CB 3.81Å; W270-C320 HydrophobicContact CD2-CB 4.28Å; W270-C320 HydrophobicContact CG-CB 3.98Å |
| 271 | G | 94.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 81.1 | 12.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G268 L273 G274 | G268-G271 PolarHBondContact O-N 3.36Å; G271-L273 PolarHBondContact O-N 3.24Å; G271-G274 PolarHBondContact O-N 2.73Å |
| 272 | Q | 95.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -7.2 | -174.6 | 66.4 | -95.3 | 52.4 | 0 | 0 | 114.8 | H252 D267 G268 H303 T305 F318 | H252-Q272 HydrophobicContact CB-CG 4.16Å; D267-Q272 VanDerWaalsContact O-CG 3.22Å; D267-Q272 WeakPolarHBondContact O-CG 3.41Å; D267-Q272 PolarHBondContact O-NE2 3.13Å; D267-Q272 VanDerWaalsContact O-NE2 3.13Å; D267-Q272 PolarHBondContact OD2-NE2 3.04Å; G268-Q272 PolarHBondContact O-OE1 2.94Å; Q272-H303 WeakPolarHBondContact CB-O 3.48Å; Q272-T305 PolarHBondContact O-OG1 2.81Å; Q272-F318 WeakPolarHBondContact O-CD2 3.4Å; Q272-F318 WeakPolarHBondContact O-CE2 3.4Å |
| 273 | L | 95.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -22 | 175.5 | -53.4 | -178.5 | 0 | 0 | 0 | 112.9 | H252 T264 D267 G271 E281 V287 F318 | H252-L273 HydrophobicContact CB-CD2 3.83Å; T264-L273 WeakPolarHBondContact CB-O 3.07Å; T264-L273 PolarHBondContact OG1-O 2.74Å; D267-L273 WeakPolarHBondContact O-CD2 3.27Å; D267-L273 WeakPolarHBondContact O-CG 3.38Å; G271-L273 PolarHBondContact O-N 3.24Å; L273-E281 HydrophobicContact CD1-CB 3.88Å; L273-E281 HydrophobicContact CD1-CG 3.61Å; L273-V287 WeakPolarHBondContact O-CG2 3.41Å; L273-F318 VanDerWaalsContact C-CE2 3.47Å |
| 274 | G | 94.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | trans | 77.9 | 18.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G271 F318 R335 P337 | G271-G274 PolarHBondContact O-N 2.73Å; G274-F318 VanDerWaalsContact CA-CD2 3.42Å; G274-F318 VanDerWaalsContact N-CD2 3.3Å; G274-R335 CarbonylContact C-O 3.59Å; G274-R335 VanDerWaalsContact C-O 3.24Å; G274-R335 VanDerWaalsContact CA-O 3.28Å; G274-R335 WeakPolarHBondContact CA-O 3.42Å; G274-P337 WeakPolarHBondContact O-CD 3.28Å | ||
| 275 | H | 94.7 | Very high | 95.5 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 11% | 0.111 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -92.7 | 14 | -177.4 | -61.7 | -51.6 | 0 | 0 | 0 | 114.5 | T264 S277 E281 R285 R335 | T264-H275 PolarHBondContact O-NE2 3.42Å; T264-H275 PolarHBondContact OG1-CE1 3.33Å; T264-H275 VanDerWaalsContact OG1-CE1 3.26Å; T264-H275 PolarHBondContact OG1-NE2 3.38Å; H275-S277 PolarHBondContact O-N 2.74Å; H275-E281 IonicContact CD2-OE1 3Å; H275-R285 PolarHBondContact CE1-O 2.85Å; H275-R285 VanDerWaalsContact CE1-O 3.3Å; H275-R335 PolarHBondContact N-O 2.79Å |
| 276 | G | 93.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 43% | 0.433 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 68.4 | 14.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R335 S336 | G276-R335 WeakPolarHBondContact CA-O 3.26Å; G276-R335 PolarHBondContact N-O 3.38Å; G276-S336 WeakPolarHBondContact CA-OG 3.42Å |
| 277 | S | 93.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -138.1 | 162 | -175 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | H275 N279 | H275-S277 PolarHBondContact O-N 2.74Å; S277-N279 PolarHBondContact OG-N 3.05Å; S277-N279 PolarHBondContact OG-ND2 2.68Å |
| 278 | T | 94.9 | Very high | 95 | Very high | 60 Ų | 60 | 45 Ų | 45 | 37% | 0.368 | 24% | 0.235 | S | C | . | . | trans | -102.9 | 11.9 | 171.7 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | G268 R335 | G268-T278 CarbonylContact C-O 3.26Å; G268-T278 CarbonylContact O-C 3.02Å; G268-T278 WeakPolarHBondContact O-CA 3.18Å; T278-R335 HydrophobicContact CG2-CG 4.22Å | ||
| 279 | N | 95.4 | Very high | 94.7 | Very high | 108 Ų | 108 | 49.9 Ų | 49.9 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | trans | -79.7 | 148 | 179.2 | -67.2 | -22.8 | 0 | 0 | 0 | 111.4 | S277 | S277-N279 PolarHBondContact OG-N 3.05Å; S277-N279 PolarHBondContact OG-ND2 2.68Å | ||
| 280 | N | 96.3 | Very high | 94.4 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | trans | -73.9 | 142.3 | 171.6 | -63.5 | 2.8 | 0 | 0 | 0 | 110.4 | G266 D267 G268 | G266-N280 VanDerWaalsContact O-CA 3.24Å; G266-N280 WeakPolarHBondContact O-CA 3.28Å; G266-N280 WeakPolarHBondContact O-CB 3.07Å; D267-N280 PolarHBondContact OD1-OD1 2.96Å; D267-N280 VanDerWaalsContact OD1-OD1 3.14Å; G268-N280 PolarHBondContact N-OD1 2.89Å | ||
| 281 | E | 97.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 111.9 | 178 | -64.4 | -69.4 | 176.7 | 0 | 0 | 108.9 | F265 G266 L273 H275 L283 R285 | F265-E281 HydrophobicContact CB-CB 4.44Å; G266-E281 PolarHBondContact N-O 3.37Å; G266-E281 PolarHBondContact O-N 2.79Å; L273-E281 HydrophobicContact CD1-CB 3.88Å; L273-E281 HydrophobicContact CD1-CG 3.61Å; H275-E281 IonicContact CD2-OE1 3Å; E281-L283 VanDerWaalsContact C-N 3.28Å; E281-L283 PolarHBondContact O-N 2.93Å; E281-R285 WeakPolarHBondContact OE1-CD 3.49Å; E281-R285 IonicContact OE1-CZ 2.62Å; E281-R285 IonicContact OE1-NH1 2.71Å; E281-R285 PolarHBondContact OE1-NH1 3.21Å |
| 282 | L | 95.9 | Very high | 93.2 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -13.7 | -177.9 | -54.7 | -177.2 | 0 | 0 | 0 | 113.3 | G222 L223 N224 K226 | G222-L282 CarbonylContact C-O 3.24Å; G222-L282 VanDerWaalsContact C-O 3.23Å; G222-L282 VanDerWaalsContact CA-O 3.3Å; G222-L282 WeakPolarHBondContact CA-O 3.43Å; L223-L282 PolarHBondContact N-O 2.88Å; N224-L282 WeakPolarHBondContact CA-O 3.47Å; N224-L282 PolarHBondContact N-O 2.79Å; K226-L282 HydrophobicContact CG-CD2 3.91Å |
| 283 | L | 96 | Very high | 92.9 | Very high | 62 Ų | 62 | 53 Ų | 53 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.7 | 178.5 | -82.5 | 171.3 | 0 | 0 | 0 | 109.3 | N224 E281 R285 | N224-L283 HydrophobicContact CB-CD1 4.04Å; N224-L283 HydrophobicContact CB-CD2 3.73Å; N224-L283 HydrophobicContact CB-CG 3.71Å; E281-L283 VanDerWaalsContact C-N 3.28Å; E281-L283 PolarHBondContact O-N 2.93Å; L283-R285 PolarHBondContact O-N 3.43Å; L283-R285 VanDerWaalsContact O-N 3.11Å |
| 284 | P | 96.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.019 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 118.3 | 173.3 | -22.3 | 33 | 0 | 0 | 0 | 111.2 | I235 F237 L238 F263 F265 | I235-P284 HydrophobicContact CG2-CG 3.97Å; F237-P284 HydrophobicContact CB-CG 4.43Å; F237-P284 HydrophobicContact CD1-CB 3.79Å; F237-P284 HydrophobicContact CD1-CG 4.08Å; F237-P284 HydrophobicContact CE1-CB 4.2Å; F237-P284 WeakPolarHBondContact CE1-O 3.36Å; L238-P284 HydrophobicContact CD1-CB 4.44Å; L238-P284 HydrophobicContact CD1-CG 4.1Å; L238-P284 HydrophobicContact CD2-CB 3.79Å; L238-P284 HydrophobicContact CD2-CG 4.15Å; L238-P284 HydrophobicContact CG-CB 4.13Å; L238-P284 HydrophobicContact CG-CG 3.91Å; F263-P284 HydrophobicContact CB-CB 4.39Å; F263-P284 HydrophobicContact CD1-CB 4.36Å; F265-P284 HydrophobicContact CD1-CB 3.58Å; F265-P284 HydrophobicContact CD1-CG 3.74Å; F265-P284 HydrophobicContact CE1-CB 3.9Å; F265-P284 HydrophobicContact CE1-CG 3.83Å; F265-P284 HydrophobicContact CG-CB 4.29Å; F265-P284 HydrophobicContact CG-CG 4.15Å; F265-P284 HydrophobicContact CZ-CG 4.3Å |
| 285 | R | 95.6 | Very high | 92.5 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.8 | 178.8 | -178.6 | 179.1 | 173.5 | -175.2 | -2.4 | 109.7 | F263 T264 H275 E281 L283 | F263-R285 CarbonylContact C-O 3.5Å; F263-R285 WeakPolarHBondContact CA-O 3.5Å; T264-R285 PolarHBondContact N-O 3.11Å; T264-R285 PolarHBondContact O-N 2.67Å; T264-R285 VanDerWaalsContact O-N 3.16Å; H275-R285 PolarHBondContact CE1-O 2.85Å; H275-R285 VanDerWaalsContact CE1-O 3.3Å; E281-R285 WeakPolarHBondContact OE1-CD 3.49Å; E281-R285 IonicContact OE1-CZ 2.62Å; E281-R285 IonicContact OE1-NH1 2.71Å; E281-R285 PolarHBondContact OE1-NH1 3.21Å; L283-R285 PolarHBondContact O-N 3.43Å; L283-R285 VanDerWaalsContact O-N 3.11Å |
| 286 | R | 95 | Very high | 92.4 | Very high | 101 Ų | 101 | 56.8 Ų | 56.8 | 38% | 0.381 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 134.1 | 176.5 | -169.8 | 176 | 176.7 | 172.7 | 0.6 | 110.2 | L262 F263 L288 | L262-R286 WeakPolarHBondContact O-CA 3.5Å; F263-R286 HydrophobicContact CD1-CB 3.99Å; F263-R286 HydrophobicContact CE1-CB 3.73Å; F263-R286 HydrophobicContact CE1-CG 4.42Å; F263-R286 HydrophobicContact CE2-CG 4.5Å; F263-R286 HydrophobicContact CZ-CB 4.09Å; F263-R286 HydrophobicContact CZ-CG 4.3Å; R286-L288 PolarHBondContact O-N 2.81Å |
| 287 | V | 95.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | trans | -74 | 105.1 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | L262 T264 L273 E289 L290 P337 | L262-V287 HydrophobicContact CD2-CG2 4.14Å; L262-V287 HydrophobicContact CG-CB 4.47Å; L262-V287 HydrophobicContact CG-CG2 3.97Å; L262-V287 PolarHBondContact O-N 2.9Å; T264-V287 HydrophobicContact CG2-CG2 3.87Å; T264-V287 WeakPolarHBondContact OG1-CG2 3.47Å; L273-V287 WeakPolarHBondContact O-CG2 3.41Å; V287-E289 PolarHBondContact O-N 3.15Å; V287-L290 HydrophobicContact CG1-CD1 4.22Å; V287-L290 HydrophobicContact CG1-CG 4.27Å; V287-L290 PolarHBondContact O-N 3.16Å; V287-P337 HydrophobicContact CG1-CG 3.67Å | ||
| 288 | L | 91.2 | Very high | 92.5 | Very high | 101 Ų | 101 | 53.1 Ų | 53.1 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -66.5 | -34.9 | -171.6 | -62.7 | 179.4 | 0 | 0 | 0 | 113 | R286 L290 M291 | R286-L288 PolarHBondContact O-N 2.81Å; L288-L290 PolarHBondContact O-N 3.08Å; L288-M291 HydrophobicContact CB-SD 4.36Å; L288-M291 HydrophobicContact CD2-SD 3.31Å; L288-M291 WeakPolarHBondContact CD2-SD 3.18Å; L288-M291 HydrophobicContact CG-SD 4.42Å; L288-M291 WeakPolarHBondContact O-CB 3.43Å; L288-M291 WeakPolarHBondContact O-CG 3.42Å; L288-M291 PolarHBondContact O-N 3.17Å |
| 289 | E | 88.9 | Confident | 92.5 | Very high | 104 Ų | 104 | 50.7 Ų | 50.7 | 49% | 0.486 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -67.6 | -19.4 | -176.4 | -66.2 | -176.1 | -167.7 | 0 | 0 | 113.8 | V287 S336 P337 | V287-E289 PolarHBondContact O-N 3.15Å; E289-S336 WeakPolarHBondContact OE1-CB 3.45Å; E289-S336 PolarHBondContact OE1-OG 3.07Å; E289-S336 WeakPolarHBondContact OE2-CB 3.27Å; E289-S336 PolarHBondContact OE2-OG 3.18Å; E289-P337 HydrophobicContact CB-CG 4.29Å; E289-P337 VanDerWaalsContact OE2-CD 3.23Å; E289-P337 WeakPolarHBondContact OE2-CD 3.23Å |
| 290 | L | 88.4 | Confident | 92.5 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -98.5 | 7.2 | 173.7 | -62.9 | 173.4 | 0 | 0 | 0 | 112.1 | L262 V287 L288 T293 V295 A307 Y316 P337 | L262-L290 HydrophobicContact CD2-CD1 3.9Å; V287-L290 HydrophobicContact CG1-CD1 4.22Å; V287-L290 HydrophobicContact CG1-CG 4.27Å; V287-L290 PolarHBondContact O-N 3.16Å; L288-L290 PolarHBondContact O-N 3.08Å; L290-T293 PolarHBondContact O-N 3.29Å; L290-T293 PolarHBondContact O-OG1 3.25Å; L290-V295 HydrophobicContact CB-CG2 4.46Å; L290-V295 HydrophobicContact CD1-CG2 4.17Å; L290-A307 HydrophobicContact CD1-CB 4.2Å; L290-Y316 HydrophobicContact CD2-CD1 4.29Å; L290-Y316 HydrophobicContact CD2-CD2 4Å; L290-Y316 HydrophobicContact CD2-CE2 4.26Å; L290-Y316 HydrophobicContact CD2-CG 4.02Å; L290-P337 HydrophobicContact CD1-CB 4.24Å; L290-P337 HydrophobicContact CD1-CG 4.01Å; L290-P337 HydrophobicContact CD2-CB 4.07Å; L290-P337 HydrophobicContact CD2-CG 4.49Å; L290-P337 HydrophobicContact CG-CB 4.08Å; L290-P337 HydrophobicContact CG-CG 3.95Å |
| 291 | M | 83.1 | Confident | 92.4 | Very high | 96 Ų | 96 | 43.7 Ų | 43.7 | 47% | 0.473 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 136.9 | 174.9 | -74.3 | -176.6 | 63.8 | 0 | 0 | 111.4 | L288 T293 | L288-M291 HydrophobicContact CB-SD 4.36Å; L288-M291 HydrophobicContact CD2-SD 3.31Å; L288-M291 WeakPolarHBondContact CD2-SD 3.18Å; L288-M291 HydrophobicContact CG-SD 4.42Å; L288-M291 WeakPolarHBondContact O-CB 3.43Å; L288-M291 WeakPolarHBondContact O-CG 3.42Å; L288-M291 PolarHBondContact O-N 3.17Å; M291-T293 PolarHBondContact O-N 3.25Å |
| 292 | G | 80.6 | Confident | 92.2 | Very high | 84 Ų | 84 | 44.7 Ų | 44.7 | 87% | 0.866 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -9.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 293 | T | 87.3 | Confident | 92.1 | Very high | 44 Ų | 44 | 44.4 Ų | 44.4 | 27% | 0.27 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -102.6 | 148.1 | 165.5 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | L290 M291 V309 | L290-T293 PolarHBondContact O-N 3.29Å; L290-T293 PolarHBondContact O-OG1 3.25Å; M291-T293 PolarHBondContact O-N 3.25Å; T293-V309 HydrophobicContact CG2-CG1 4.4Å |
| 294 | E | 89.5 | Confident | 92.1 | Very high | 106 Ų | 106 | 41.4 Ų | 41.4 | 50% | 0.495 | 22% | 0.217 | S | C | . | . | trans | -95.3 | 112.3 | 174.4 | -65.6 | -174.9 | -178 | 0 | 0 | 109.1 | P310 R387 | E294-P310 WeakPolarHBondContact O-CD 3.46Å; E294-R387 IonicContact OE2-CZ 3.52Å; E294-R387 IonicContact OE2-NH1 2.64Å; E294-R387 PolarHBondContact OE2-NH1 3.42Å; E294-R387 IonicContact OE2-NH2 3.51Å | ||
| 295 | V | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -79.5 | 131.5 | 173 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | L256 G260 L262 L290 Q297 I298 A307 L308 V309 R387 | L256-V295 HydrophobicContact CD1-CB 3.86Å; L256-V295 HydrophobicContact CD1-CG1 3.9Å; L256-V295 WeakPolarHBondContact CD1-O 3.38Å; G260-V295 VanDerWaalsContact CA-O 3.27Å; G260-V295 WeakPolarHBondContact CA-O 3.48Å; G260-V295 WeakPolarHBondContact O-CB 3.42Å; G260-V295 PolarHBondContact O-N 3.17Å; L262-V295 HydrophobicContact CB-CG2 4.39Å; L290-V295 HydrophobicContact CB-CG2 4.46Å; L290-V295 HydrophobicContact CD1-CG2 4.17Å; V295-Q297 WeakPolarHBondContact CG1-O 3.34Å; V295-I298 HydrophobicContact CG1-CG2 3.74Å; V295-A307 HydrophobicContact CG1-CB 4.02Å; V295-L308 WeakPolarHBondContact CA-O 3.39Å; V295-V309 HydrophobicContact CG2-CG2 4.32Å; V295-R387 WeakPolarHBondContact O-CD 3.45Å | ||
| 296 | S | 92.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | trans | -105.8 | -24.9 | 178.4 | 61.4 | 0 | 0 | 0 | 0 | 114.2 | L308 F386 | S296-L308 PolarHBondContact N-O 3.27Å; S296-F386 WeakPolarHBondContact O-CB 3.48Å; S296-F386 PolarHBondContact O-N 2.68Å | ||
| 297 | Q | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 147.3 | 177.7 | -57.2 | -179.5 | 20.1 | 0 | 0 | 111.2 | V295 A307 L308 I361 K362 I363 E384 F386 | V295-Q297 WeakPolarHBondContact CG1-O 3.34Å; Q297-A307 WeakPolarHBondContact O-CA 3.33Å; Q297-L308 HydrophobicContact CB-CB 3.98Å; Q297-L308 HydrophobicContact CB-CD2 4.41Å; Q297-L308 HydrophobicContact CG-CD2 4.06Å; Q297-L308 PolarHBondContact O-N 3.06Å; Q297-I361 PolarHBondContact NE2-O 3.07Å; Q297-K362 VanDerWaalsContact OE1-CA 3.25Å; Q297-I363 HydrophobicContact CB-CD1 3.94Å; Q297-I363 HydrophobicContact CB-CG1 3.84Å; Q297-E384 WeakPolarHBondContact CG-O 3.29Å; Q297-E384 PolarHBondContact NE2-O 3.17Å; Q297-F386 HydrophobicContact CB-CD2 3.78Å; Q297-F386 HydrophobicContact CB-CE2 3.77Å; Q297-F386 HydrophobicContact CB-CG 4.29Å; Q297-F386 HydrophobicContact CB-CZ 4.28Å; Q297-F386 HydrophobicContact CG-CD1 4.06Å; Q297-F386 HydrophobicContact CG-CD2 3.94Å; Q297-F386 HydrophobicContact CG-CE1 4.08Å; Q297-F386 HydrophobicContact CG-CE2 3.97Å; Q297-F386 HydrophobicContact CG-CG 3.98Å; Q297-F386 HydrophobicContact CG-CZ 4.03Å |
| 298 | I | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.5 | 173.1 | 59.6 | 167.6 | 0 | 0 | 0 | 110.4 | Y245 C247 A254 L256 L262 V295 L306 A307 | Y245-I298 HydrophobicContact CD1-CD1 3.98Å; Y245-I298 HydrophobicContact CD1-CG1 3.56Å; Y245-I298 HydrophobicContact CE1-CD1 4.48Å; Y245-I298 HydrophobicContact CE1-CG1 3.81Å; C247-I298 HydrophobicContact CB-CD1 4.21Å; C247-I298 HydrophobicContact CB-CG1 4.35Å; A254-I298 HydrophobicContact CB-CD1 3.88Å; L256-I298 HydrophobicContact CB-CD1 3.88Å; L256-I298 HydrophobicContact CB-CG1 4.22Å; L256-I298 HydrophobicContact CD1-CG2 4.45Å; L262-I298 HydrophobicContact CD1-CD1 4.29Å; L262-I298 HydrophobicContact CD1-CG2 3.74Å; L262-I298 HydrophobicContact CD2-CG2 4.44Å; V295-I298 HydrophobicContact CG1-CG2 3.74Å; I298-L306 WeakPolarHBondContact CA-O 3.35Å; I298-A307 HydrophobicContact CG2-CB 4.49Å |
| 299 | A | 95.4 | Very high | 91.9 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 7% | 0.066 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 129.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T305 L306 I363 C365 | A299-T305 WeakPolarHBondContact O-CA 3.37Å; A299-L306 PolarHBondContact N-O 3.16Å; A299-L306 PolarHBondContact O-N 3.22Å; A299-I363 HydrophobicContact CB-CD1 4.25Å; A299-I363 HydrophobicContact CB-CG1 4.09Å; A299-C365 HydrophobicContact CB-CB 4.05Å; A299-C365 VanDerWaalsContact CB-SG 3.53Å; A299-C365 PolarHBondContact O-SG 2.68Å |
| 300 | C | 95.5 | Very high | 91.6 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 8% | 0.081 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.2 | 178.7 | -63.6 | 0 | 0 | 0 | 0 | 109.8 | C247 C248 C365 | C247-C300 HydrophobicContact CB-CB 4.47Å; C247-C300 PolarHBondContact SG-N 2.72Å; C248-C300 VanDerWaalsContact C-CB 3.46Å; C248-C300 WeakPolarHBondContact O-CB 3.43Å; C300-C365 VanDerWaalsContact C-CB 3.41Å; C300-C365 WeakPolarHBondContact O-CB 3.23Å |
| 301 | G | 93.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | trans | -96.4 | -163.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G249 H303 H304 G366 | G249-G301 WeakPolarHBondContact CA-O 3.38Å; G301-H303 PolarHBondContact O-N 2.95Å; G301-H304 PolarHBondContact N-O 2.69Å; G301-G366 WeakPolarHBondContact CA-O 3.19Å | ||
| 302 | R | 92.8 | Very high | 90.9 | Very high | 59 Ų | 59 | 27 Ų | 27 | 22% | 0.223 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -60.5 | -48.1 | -178.8 | -168.4 | -172.9 | -75.2 | 144.2 | 5.2 | 111.8 | D250 G366 G367 D368 | D250-R302 HydrophobicContact CB-CG 3.64Å; D250-R302 WeakPolarHBondContact CB-O 3.26Å; D250-R302 PolarHBondContact N-O 2.97Å; R302-G366 PolarHBondContact N-O 2.76Å; R302-G367 WeakPolarHBondContact CB-O 3.49Å; R302-G367 PolarHBondContact N-O 3.06Å; R302-D368 IonicContact CZ-OD1 3.43Å; R302-D368 IonicContact CZ-OD2 3.89Å; R302-D368 VanDerWaalsContact NH1-CG 3.32Å; R302-D368 IonicContact NH1-OD1 3.73Å; R302-D368 PolarHBondContact NH1-OD1 2.99Å; R302-D368 VanDerWaalsContact NH1-OD1 3.12Å; R302-D368 IonicContact NH1-OD2 3.91Å; R302-D368 PolarHBondContact NH1-OD2 3.46Å |
| 303 | H | 95.1 | Very high | 90.7 | Very high | 42 Ų | 42 | 25.5 Ų | 25.5 | 19% | 0.194 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -138.1 | 24.8 | -175.6 | -56.3 | -54.2 | 0 | 0 | 0 | 112.8 | W270 Q272 G301 C320 | W270-H303 AromaticContact CD1-CG 3.88Å; W270-H303 AromaticContact CD1-ND1 3.99Å; W270-H303 HydrophobicContact CG-CB 4.3Å; Q272-H303 WeakPolarHBondContact CB-O 3.48Å; G301-H303 PolarHBondContact O-N 2.95Å; H303-C320 HydrophobicContact CB-CB 3.69Å; H303-C320 WeakPolarHBondContact O-CB 3.14Å; H303-C320 PolarHBondContact O-N 2.97Å |
| 304 | H | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 161.7 | 178 | 69.3 | -73.1 | 0 | 0 | 0 | 111.7 | G301 F318 Q325 L326 S370 | G301-H304 PolarHBondContact N-O 2.69Å; H304-F318 CarbonylContact C-O 3.51Å; H304-F318 WeakPolarHBondContact CA-O 3.43Å; H304-Q325 HydrophobicContact CB-CG 4.3Å; H304-L326 HydrophobicContact CB-CD2 3.74Å; H304-S370 PolarHBondContact NE2-OG 3.34Å |
| 305 | T | 96.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 137.4 | -179.5 | -53.7 | 0 | 0 | 0 | 0 | 109.5 | H252 Q272 A299 A317 F318 | H252-T305 PolarHBondContact NE2-OG1 3.04Å; Q272-T305 PolarHBondContact O-OG1 2.81Å; A299-T305 WeakPolarHBondContact O-CA 3.37Å; T305-A317 WeakPolarHBondContact O-CA 3.47Å; T305-F318 VanDerWaalsContact CB-CE2 3.48Å; T305-F318 HydrophobicContact CG2-CE1 4.24Å; T305-F318 HydrophobicContact CG2-CE2 3.88Å; T305-F318 HydrophobicContact CG2-CZ 3.55Å; T305-F318 PolarHBondContact N-O 3.21Å; T305-F318 PolarHBondContact O-N 3.05Å |
| 306 | L | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 142.3 | 171.7 | -61.2 | -176.5 | 0 | 0 | 0 | 110.1 | W4 I298 A299 V315 Y316 A317 V340 I363 C365 | W4-L306 HydrophobicContact CH2-CD1 4.39Å; W4-L306 HydrophobicContact CZ2-CD1 3.86Å; I298-L306 WeakPolarHBondContact CA-O 3.35Å; A299-L306 PolarHBondContact N-O 3.16Å; A299-L306 PolarHBondContact O-N 3.22Å; L306-V315 HydrophobicContact CB-CG1 4.37Å; L306-V315 HydrophobicContact CD2-CG1 4.46Å; L306-Y316 CarbonylContact C-O 3.45Å; L306-Y316 VanDerWaalsContact CA-O 3.29Å; L306-Y316 WeakPolarHBondContact CA-O 3.47Å; L306-A317 HydrophobicContact CD2-CB 3.28Å; L306-V340 HydrophobicContact CD2-CG2 4.37Å; L306-I363 HydrophobicContact CB-CD1 3.97Å; L306-C365 WeakPolarHBondContact CD1-SG 2.74Å; L306-C365 WeakPolarHBondContact CG-SG 3.13Å |
| 307 | A | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 131.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L262 L290 V295 Q297 I298 V315 Y316 | L262-A307 HydrophobicContact CD2-CB 4.11Å; L290-A307 HydrophobicContact CD1-CB 4.2Å; V295-A307 HydrophobicContact CG1-CB 4.02Å; Q297-A307 WeakPolarHBondContact O-CA 3.33Å; I298-A307 HydrophobicContact CG2-CB 4.49Å; A307-V315 CarbonylContact O-C 3.5Å; A307-V315 WeakPolarHBondContact O-CA 3.38Å; A307-Y316 PolarHBondContact N-O 3.43Å; A307-Y316 PolarHBondContact O-N 3.03Å |
| 308 | L | 92.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.5 | 176.3 | 177.2 | 65.9 | 0 | 0 | 0 | 110.2 | V295 S296 Q297 V315 V360 I363 T383 | V295-L308 WeakPolarHBondContact CA-O 3.39Å; S296-L308 PolarHBondContact N-O 3.27Å; Q297-L308 HydrophobicContact CB-CB 3.98Å; Q297-L308 HydrophobicContact CB-CD2 4.41Å; Q297-L308 HydrophobicContact CG-CD2 4.06Å; Q297-L308 PolarHBondContact O-N 3.06Å; L308-V315 HydrophobicContact CD1-CG2 3.68Å; L308-V360 HydrophobicContact CD1-CB 4Å; L308-V360 HydrophobicContact CD1-CG1 4.02Å; L308-V360 HydrophobicContact CD1-CG2 4.27Å; L308-V360 HydrophobicContact CD2-CB 4.31Å; L308-V360 HydrophobicContact CD2-CG1 4.02Å; L308-I363 HydrophobicContact CB-CD1 4.19Å; L308-I363 HydrophobicContact CB-CG2 4.24Å; L308-T383 HydrophobicContact CD2-CG2 4.3Å |
| 309 | V | 90.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 109.9 | 171.1 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | T293 V295 S311 S312 S313 M314 Y316 | T293-V309 HydrophobicContact CG2-CG1 4.4Å; V295-V309 HydrophobicContact CG2-CG2 4.32Å; V309-S311 WeakPolarHBondContact CG1-OG 3.39Å; V309-S311 PolarHBondContact O-N 3.49Å; V309-S312 PolarHBondContact O-OG 3.05Å; V309-S313 WeakPolarHBondContact O-CA 3.31Å; V309-S313 PolarHBondContact O-N 3.42Å; V309-M314 PolarHBondContact N-O 2.99Å; V309-M314 PolarHBondContact O-N 3.11Å; V309-Y316 HydrophobicContact CB-CE2 4.11Å; V309-Y316 HydrophobicContact CG2-CD2 3.84Å; V309-Y316 HydrophobicContact CG2-CE2 3.69Å |
| 310 | P | 82.8 | Confident | 90.6 | Very high | 47 Ų | 47 | 23.4 Ų | 23.4 | 31% | 0.305 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -32.4 | -173.3 | 29.2 | -31.7 | 0 | 0 | 0 | 112.4 | E294 S312 S313 | E294-P310 WeakPolarHBondContact O-CD 3.46Å; P310-S312 VanDerWaalsContact C-N 3.26Å; P310-S312 PolarHBondContact O-N 3.34Å; P310-S313 PolarHBondContact O-N 3.04Å; P310-S313 VanDerWaalsContact O-N 3.09Å |
| 311 | S | 79.5 | Confident | 90.5 | Very high | 100 Ų | 100 | 22.9 Ų | 22.9 | 70% | 0.699 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -33.4 | -179.4 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | V309 | V309-S311 WeakPolarHBondContact CG1-OG 3.39Å; V309-S311 PolarHBondContact O-N 3.49Å |
| 312 | S | 76.9 | Confident | 90.3 | Very high | 58 Ų | 58 | 25.8 Ų | 25.8 | 41% | 0.406 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -3.7 | 175.3 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | V309 P310 M314 | V309-S312 PolarHBondContact O-OG 3.05Å; P310-S312 VanDerWaalsContact C-N 3.26Å; P310-S312 PolarHBondContact O-N 3.34Å; S312-M314 PolarHBondContact O-N 2.94Å; S312-M314 VanDerWaalsContact OG-CB 3.29Å; S312-M314 WeakPolarHBondContact OG-CB 3.49Å; S312-M314 PolarHBondContact OG-N 3.39Å |
| 313 | S | 77.4 | Confident | 90 | Very high | 51 Ų | 51 | 25 Ų | 25 | 36% | 0.357 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 28.4 | -167.7 | -65.6 | 0 | 0 | 0 | 0 | 113.2 | V309 P310 | V309-S313 WeakPolarHBondContact O-CA 3.31Å; V309-S313 PolarHBondContact O-N 3.42Å; P310-S313 PolarHBondContact O-N 3.04Å; P310-S313 VanDerWaalsContact O-N 3.09Å |
| 314 | M | 84.9 | Confident | 89.6 | Confident | 48 Ų | 48 | 23 Ų | 23 | 24% | 0.236 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.6 | -175.3 | -165.4 | 65 | 68.7 | 0 | 0 | 110.3 | V309 S312 Y316 P339 | V309-M314 PolarHBondContact N-O 2.99Å; V309-M314 PolarHBondContact O-N 3.11Å; S312-M314 PolarHBondContact O-N 2.94Å; S312-M314 VanDerWaalsContact OG-CB 3.29Å; S312-M314 WeakPolarHBondContact OG-CB 3.49Å; S312-M314 PolarHBondContact OG-N 3.39Å; M314-Y316 HydrophobicContact CB-CE2 4.01Å; M314-Y316 HydrophobicContact CG-CE2 4.05Å; M314-P339 HydrophobicContact CG-CB 3.95Å; M314-P339 HydrophobicContact SD-CB 3.94Å |
| 315 | V | 90.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.5 | 171.1 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | L306 A307 L308 P339 V340 I363 L372 | L306-V315 HydrophobicContact CB-CG1 4.37Å; L306-V315 HydrophobicContact CD2-CG1 4.46Å; A307-V315 CarbonylContact O-C 3.5Å; A307-V315 WeakPolarHBondContact O-CA 3.38Å; L308-V315 HydrophobicContact CD1-CG2 3.68Å; V315-P339 WeakPolarHBondContact O-CA 3.23Å; V315-V340 HydrophobicContact CB-CB 4.33Å; V315-V340 HydrophobicContact CB-CG2 4.04Å; V315-V340 HydrophobicContact CG1-CG2 3.78Å; V315-V340 WeakPolarHBondContact O-CG2 3.49Å; V315-V340 PolarHBondContact O-N 3.47Å; V315-I363 HydrophobicContact CG1-CG2 4.18Å; V315-I363 HydrophobicContact CG2-CG2 3.87Å; V315-L372 HydrophobicContact CG2-CD1 3.73Å |
| 316 | Y | 92.5 | Very high | 89.1 | Confident | 52 Ų | 52 | 23.1 Ų | 23.1 | 20% | 0.204 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141.2 | 173.4 | -65.6 | -93.6 | 0 | 0 | 0 | 109.8 | L290 L306 A307 V309 M314 P337 F338 P339 | L290-Y316 HydrophobicContact CD2-CD1 4.29Å; L290-Y316 HydrophobicContact CD2-CD2 4Å; L290-Y316 HydrophobicContact CD2-CE2 4.26Å; L290-Y316 HydrophobicContact CD2-CG 4.02Å; L306-Y316 CarbonylContact C-O 3.45Å; L306-Y316 VanDerWaalsContact CA-O 3.29Å; L306-Y316 WeakPolarHBondContact CA-O 3.47Å; A307-Y316 PolarHBondContact N-O 3.43Å; A307-Y316 PolarHBondContact O-N 3.03Å; V309-Y316 HydrophobicContact CB-CE2 4.11Å; V309-Y316 HydrophobicContact CG2-CD2 3.84Å; V309-Y316 HydrophobicContact CG2-CE2 3.69Å; M314-Y316 HydrophobicContact CB-CE2 4.01Å; M314-Y316 HydrophobicContact CG-CE2 4.05Å; Y316-P337 HydrophobicContact CD1-CB 4.15Å; Y316-P337 HydrophobicContact CG-CB 4.4Å; Y316-F338 CarbonylContact C-O 3.51Å; Y316-F338 WeakPolarHBondContact CA-O 3.43Å; Y316-P339 HydrophobicContact CE1-CB 4.42Å |
| 317 | A | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T305 L306 L326 F338 V340 | T305-A317 WeakPolarHBondContact O-CA 3.47Å; L306-A317 HydrophobicContact CD2-CB 3.28Å; A317-L326 HydrophobicContact CB-CB 3.94Å; A317-L326 HydrophobicContact CB-CD2 3.98Å; A317-L326 HydrophobicContact CB-CG 4.47Å; A317-L326 WeakPolarHBondContact CB-O 3.37Å; A317-F338 PolarHBondContact N-O 2.96Å; A317-F338 PolarHBondContact O-N 3.46Å; A317-V340 HydrophobicContact CB-CG2 3.68Å |
| 318 | F | 95.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 152.6 | 176 | 49 | -83.8 | 0 | 0 | 0 | 111 | L262 T264 Q272 L273 G274 H304 T305 P337 | L262-F318 HydrophobicContact CD2-CE1 4.49Å; L262-F318 HydrophobicContact CD2-CZ 4.06Å; T264-F318 HydrophobicContact CG2-CE2 4.47Å; Q272-F318 WeakPolarHBondContact O-CD2 3.4Å; Q272-F318 WeakPolarHBondContact O-CE2 3.4Å; L273-F318 VanDerWaalsContact C-CE2 3.47Å; G274-F318 VanDerWaalsContact CA-CD2 3.42Å; G274-F318 VanDerWaalsContact N-CD2 3.3Å; H304-F318 CarbonylContact C-O 3.51Å; H304-F318 WeakPolarHBondContact CA-O 3.43Å; T305-F318 VanDerWaalsContact CB-CE2 3.48Å; T305-F318 HydrophobicContact CG2-CE1 4.24Å; T305-F318 HydrophobicContact CG2-CE2 3.88Å; T305-F318 HydrophobicContact CG2-CZ 3.55Å; T305-F318 PolarHBondContact N-O 3.21Å; T305-F318 PolarHBondContact O-N 3.05Å; F318-P337 HydrophobicContact CD1-CB 4.01Å; F318-P337 HydrophobicContact CD1-CG 3.82Å; F318-P337 HydrophobicContact CE1-CB 4.4Å; F318-P337 HydrophobicContact CE1-CG 4Å; F318-P337 HydrophobicContact CG-CG 4.42Å |
| 319 | G | 94.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.5 | -154.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | W270 D333 S334 | W270-G319 CarbonylContact O-C 3.59Å; W270-G319 VanDerWaalsContact O-CA 3.25Å; W270-G319 WeakPolarHBondContact O-CA 3.5Å; G319-D333 WeakPolarHBondContact O-CA 3.45Å; G319-D333 WeakPolarHBondContact O-CB 3.41Å; G319-S334 PolarHBondContact N-O 3.47Å; G319-S334 PolarHBondContact O-N 2.9Å |
| 320 | C | 93.7 | Very high | 87.1 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 5% | 0.054 | 19% | 0.187 | C | C | . | . | trans | -63.4 | 140.9 | -180 | -176.4 | 0 | 0 | 0 | 0 | 111 | W270 H303 S322 Q325 D333 | W270-C320 HydrophobicContact CB-CB 3.81Å; W270-C320 HydrophobicContact CD2-CB 4.28Å; W270-C320 HydrophobicContact CG-CB 3.98Å; H303-C320 HydrophobicContact CB-CB 3.69Å; H303-C320 WeakPolarHBondContact O-CB 3.14Å; H303-C320 PolarHBondContact O-N 2.97Å; C320-S322 PolarHBondContact SG-OG 3.07Å; C320-S322 VanDerWaalsContact SG-OG 3.33Å; C320-Q325 WeakPolarHBondContact O-CG 3.05Å; C320-Q325 PolarHBondContact O-NE2 3.42Å; C320-Q325 VanDerWaalsContact O-NE2 3.16Å; C320-Q325 PolarHBondContact SG-NE2 2.9Å; C320-D333 VanDerWaalsContact CA-OD1 3.31Å; C320-D333 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 321 | N | 92.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -136.3 | 20.2 | 178.2 | -161.2 | 24.6 | 0 | 0 | 0 | 113.2 | H323 G324 Q325 L326 T328 I330 G332 D333 | N321-H323 PolarHBondContact O-N 3.38Å; N321-H323 VanDerWaalsContact O-N 3.1Å; N321-G324 PolarHBondContact O-N 3.19Å; N321-G324 VanDerWaalsContact O-N 3.09Å; N321-G324 WeakPolarHBondContact OD1-CA 3.42Å; N321-Q325 PolarHBondContact OD1-N 3.27Å; N321-L326 HydrophobicContact CB-CB 4.37Å; N321-L326 HydrophobicContact CB-CD1 3.7Å; N321-L326 HydrophobicContact CB-CG 3.72Å; N321-L326 PolarHBondContact OD1-N 3.46Å; N321-T328 PolarHBondContact ND2-OG1 3.17Å; N321-I330 PolarHBondContact ND2-O 3.42Å; N321-G332 WeakPolarHBondContact CB-O 3.36Å; N321-G332 PolarHBondContact ND2-O 2.94Å; N321-G332 VanDerWaalsContact ND2-O 3.09Å; N321-D333 PolarHBondContact N-OD1 2.99Å | ||
| 322 | S | 89.3 | Confident | 87.1 | Confident | 67 Ų | 67 | 31.7 Ų | 31.7 | 47% | 0.469 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.2 | -176.9 | -45.4 | 0 | 0 | 0 | 0 | 113.8 | C320 | C320-S322 PolarHBondContact SG-OG 3.07Å; C320-S322 VanDerWaalsContact SG-OG 3.33Å |
| 323 | H | 87.4 | Confident | 87.7 | Confident | 43 Ų | 43 | 32.1 Ų | 32.1 | 20% | 0.199 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 14.2 | 178.4 | -59.3 | 97.8 | 0 | 0 | 0 | 112.5 | G5 N6 P20 N321 | G5-H323 CarbonylContact C-O 3.58Å; G5-H323 VanDerWaalsContact CA-O 3.27Å; G5-H323 WeakPolarHBondContact CA-O 3.47Å; N6-H323 HydrophobicContact CB-CB 3.88Å; P20-H323 WeakPolarHBondContact CB-O 3Å; N321-H323 PolarHBondContact O-N 3.38Å; N321-H323 VanDerWaalsContact O-N 3.1Å |
| 324 | G | 87.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 79.8 | 13.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W4 F22 N321 L326 G327 | W4-G324 VanDerWaalsContact CD1-O 3.3Å; F22-G324 VanDerWaalsContact CD1-CA 3.42Å; N321-G324 PolarHBondContact O-N 3.19Å; N321-G324 VanDerWaalsContact O-N 3.09Å; N321-G324 WeakPolarHBondContact OD1-CA 3.42Å; G324-L326 PolarHBondContact O-N 3.08Å; G324-L326 VanDerWaalsContact O-N 3.11Å; G324-G327 PolarHBondContact O-N 3.24Å |
| 325 | Q | 90.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15.1 | -173.8 | 62.8 | -98.4 | 55.8 | 0 | 0 | 114.8 | W4 H304 C320 N321 S370 | W4-Q325 PolarHBondContact NE1-O 3.13Å; H304-Q325 HydrophobicContact CB-CG 4.3Å; C320-Q325 WeakPolarHBondContact O-CG 3.05Å; C320-Q325 PolarHBondContact O-NE2 3.42Å; C320-Q325 VanDerWaalsContact O-NE2 3.16Å; C320-Q325 PolarHBondContact SG-NE2 2.9Å; N321-Q325 PolarHBondContact OD1-N 3.27Å; Q325-S370 PolarHBondContact O-OG 3.39Å; Q325-S370 VanDerWaalsContact O-OG 3.1Å |
| 326 | L | 89.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -18.2 | 173 | -56.1 | -172.2 | 0 | 0 | 0 | 113.2 | H304 A317 N321 G324 T328 | H304-L326 HydrophobicContact CB-CD2 3.74Å; A317-L326 HydrophobicContact CB-CB 3.94Å; A317-L326 HydrophobicContact CB-CD2 3.98Å; A317-L326 HydrophobicContact CB-CG 4.47Å; A317-L326 WeakPolarHBondContact CB-O 3.37Å; N321-L326 HydrophobicContact CB-CB 4.37Å; N321-L326 HydrophobicContact CB-CD1 3.7Å; N321-L326 HydrophobicContact CB-CG 3.72Å; N321-L326 PolarHBondContact OD1-N 3.46Å; G324-L326 PolarHBondContact O-N 3.08Å; G324-L326 VanDerWaalsContact O-N 3.11Å; L326-T328 VanDerWaalsContact C-N 3.29Å; L326-T328 HydrophobicContact CB-CG2 3.87Å; L326-T328 PolarHBondContact O-N 2.92Å |
| 327 | G | 86.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | 67.2 | 25.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | W4 F22 P24 G324 K341 | W4-G327 VanDerWaalsContact CD1-CA 3.42Å; W4-G327 VanDerWaalsContact CD1-N 3.34Å; F22-G327 CarbonylContact O-C 3.57Å; F22-G327 WeakPolarHBondContact O-CA 3.44Å; P24-G327 WeakPolarHBondContact CD-O 3.5Å; G324-G327 PolarHBondContact O-N 3.24Å; G327-K341 WeakPolarHBondContact O-CB 3.35Å; G327-K341 PolarHBondContact O-N 2.79Å | ||
| 328 | T | 84.1 | Confident | 88.8 | Confident | 15 Ų | 15 | 39 Ų | 39 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -85.6 | -12.5 | -177.7 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | N321 L326 I330 F338 | N321-T328 PolarHBondContact ND2-OG1 3.17Å; L326-T328 VanDerWaalsContact C-N 3.29Å; L326-T328 HydrophobicContact CB-CG2 3.87Å; L326-T328 PolarHBondContact O-N 2.92Å; T328-I330 PolarHBondContact O-N 3.43Å; T328-I330 PolarHBondContact OG1-N 2.93Å; T328-I330 PolarHBondContact OG1-O 3.22Å; T328-F338 HydrophobicContact CG2-CD1 3.41Å; T328-F338 VanDerWaalsContact CG2-CD1 3.41Å; T328-F338 HydrophobicContact CG2-CE1 3.92Å; T328-F338 HydrophobicContact CG2-CG 4.35Å |
| 329 | G | 79.8 | Confident | 88.5 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 74.3 | -0.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F22 E23 | F22-G329 WeakPolarHBondContact O-CA 3.47Å; F22-G329 PolarHBondContact O-N 3Å; E23-G329 VanDerWaalsContact CG-CA 3.47Å |
| 330 | I | 80.8 | Confident | 88.1 | Confident | 106 Ų | 106 | 41.9 Ų | 41.9 | 54% | 0.544 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -112.3 | 145.5 | 179.3 | -56.4 | 169.7 | 0 | 0 | 0 | 108.7 | N321 T328 | N321-I330 PolarHBondContact ND2-O 3.42Å; T328-I330 PolarHBondContact O-N 3.43Å; T328-I330 PolarHBondContact OG1-N 2.93Å; T328-I330 PolarHBondContact OG1-O 3.22Å |
| 331 | L | 77 | Confident | 87.5 | Confident | 132 Ų | 132 | 45.6 Ų | 45.6 | 69% | 0.691 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -84.5 | 125.5 | 170.8 | -70.6 | 166.5 | 0 | 0 | 0 | 109.6 | F22 | F22-L331 HydrophobicContact CD1-CD2 3.81Å; F22-L331 HydrophobicContact CE1-CD2 3.31Å; F22-L331 HydrophobicContact CZ-CD2 3.89Å |
| 332 | G | 84.6 | Confident | 86.1 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 138.2 | 140.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N321 | N321-G332 WeakPolarHBondContact CB-O 3.36Å; N321-G332 PolarHBondContact ND2-O 2.94Å; N321-G332 VanDerWaalsContact ND2-O 3.09Å |
| 333 | D | 90.1 | Very high | 84.5 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | trans | -68 | 144.5 | 178.7 | -52.1 | -36.1 | 0 | 0 | 0 | 110.4 | G319 C320 N321 | G319-D333 WeakPolarHBondContact O-CA 3.45Å; G319-D333 WeakPolarHBondContact O-CB 3.41Å; C320-D333 VanDerWaalsContact CA-OD1 3.31Å; C320-D333 WeakPolarHBondContact CA-OD1 3.42Å; N321-D333 PolarHBondContact N-OD1 2.99Å | ||
| 334 | S | 92.1 | Very high | 82.8 | Confident | 22 Ų | 22 | 49.8 Ų | 49.8 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121 | 178 | -167 | 0 | 0 | 0 | 0 | 110.5 | G319 S336 | G319-S334 PolarHBondContact N-O 3.47Å; G319-S334 PolarHBondContact O-N 2.9Å; S334-S336 VanDerWaalsContact C-N 3.27Å; S334-S336 PolarHBondContact OG-O 2.97Å |
| 335 | R | 93.4 | Very high | 81 | Confident | 145 Ų | 145 | 52 Ų | 52 | 55% | 0.547 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -7.9 | 179.6 | -58.8 | 172.6 | -173.7 | 155 | 0.8 | 113.6 | G274 H275 G276 T278 | G274-R335 CarbonylContact C-O 3.59Å; G274-R335 VanDerWaalsContact C-O 3.24Å; G274-R335 VanDerWaalsContact CA-O 3.28Å; G274-R335 WeakPolarHBondContact CA-O 3.42Å; H275-R335 PolarHBondContact N-O 2.79Å; G276-R335 WeakPolarHBondContact CA-O 3.26Å; G276-R335 PolarHBondContact N-O 3.38Å; T278-R335 HydrophobicContact CG2-CG 4.22Å |
| 336 | S | 92 | Very high | 78.8 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.5 | -168.2 | -79.4 | 0 | 0 | 0 | 0 | 108.5 | G276 E289 S334 F338 | G276-S336 WeakPolarHBondContact CA-OG 3.42Å; E289-S336 WeakPolarHBondContact OE1-CB 3.45Å; E289-S336 PolarHBondContact OE1-OG 3.07Å; E289-S336 WeakPolarHBondContact OE2-CB 3.27Å; E289-S336 PolarHBondContact OE2-OG 3.18Å; S334-S336 VanDerWaalsContact C-N 3.27Å; S334-S336 PolarHBondContact OG-O 2.97Å; S336-F338 PolarHBondContact O-N 3.03Å |
| 337 | P | 92.4 | Very high | 76.2 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.4 | 111.3 | 175.1 | -31.4 | 33.4 | 0 | 0 | 0 | 113.4 | G274 V287 E289 L290 Y316 F318 | G274-P337 WeakPolarHBondContact O-CD 3.28Å; V287-P337 HydrophobicContact CG1-CG 3.67Å; E289-P337 HydrophobicContact CB-CG 4.29Å; E289-P337 VanDerWaalsContact OE2-CD 3.23Å; E289-P337 WeakPolarHBondContact OE2-CD 3.23Å; L290-P337 HydrophobicContact CD1-CB 4.24Å; L290-P337 HydrophobicContact CD1-CG 4.01Å; L290-P337 HydrophobicContact CD2-CB 4.07Å; L290-P337 HydrophobicContact CD2-CG 4.49Å; L290-P337 HydrophobicContact CG-CB 4.08Å; L290-P337 HydrophobicContact CG-CG 3.95Å; Y316-P337 HydrophobicContact CD1-CB 4.15Å; Y316-P337 HydrophobicContact CG-CB 4.4Å; F318-P337 HydrophobicContact CD1-CB 4.01Å; F318-P337 HydrophobicContact CD1-CG 3.82Å; F318-P337 HydrophobicContact CE1-CB 4.4Å; F318-P337 HydrophobicContact CE1-CG 4Å; F318-P337 HydrophobicContact CG-CG 4.42Å |
| 338 | F | 91 | Very high | 73.6 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 39% | 0.386 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.9 | -179.5 | -167.6 | -87.3 | 0 | 0 | 0 | 110.5 | Y316 A317 T328 S336 V340 | Y316-F338 CarbonylContact C-O 3.51Å; Y316-F338 WeakPolarHBondContact CA-O 3.43Å; A317-F338 PolarHBondContact N-O 2.96Å; A317-F338 PolarHBondContact O-N 3.46Å; T328-F338 HydrophobicContact CG2-CD1 3.41Å; T328-F338 VanDerWaalsContact CG2-CD1 3.41Å; T328-F338 HydrophobicContact CG2-CE1 3.92Å; T328-F338 HydrophobicContact CG2-CG 4.35Å; S336-F338 PolarHBondContact O-N 3.03Å; F338-V340 PolarHBondContact O-N 3.46Å |
| 339 | P | 89.4 | Confident | 71.4 | Confident | 52 Ų | 52 | 73 Ų | 73 | 34% | 0.338 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 130.5 | -178.4 | 26 | -34.2 | 0 | 0 | 0 | 111.5 | M314 V315 Y316 | M314-P339 HydrophobicContact CG-CB 3.95Å; M314-P339 HydrophobicContact SD-CB 3.94Å; V315-P339 WeakPolarHBondContact O-CA 3.23Å; Y316-P339 HydrophobicContact CE1-CB 4.42Å |
| 340 | V | 87.8 | Confident | 69.4 | Low | 10 Ų | 10 | 79.9 Ų | 79.9 | 6% | 0.061 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 135.4 | 172.9 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | W4 P24 L306 V315 A317 F338 S342 | W4-V340 HydrophobicContact CZ2-CG1 4.34Å; P24-V340 HydrophobicContact CG-CG1 3.57Å; L306-V340 HydrophobicContact CD2-CG2 4.37Å; V315-V340 HydrophobicContact CB-CB 4.33Å; V315-V340 HydrophobicContact CB-CG2 4.04Å; V315-V340 HydrophobicContact CG1-CG2 3.78Å; V315-V340 WeakPolarHBondContact O-CG2 3.49Å; V315-V340 PolarHBondContact O-N 3.47Å; A317-V340 HydrophobicContact CB-CG2 3.68Å; F338-V340 PolarHBondContact O-N 3.46Å; V340-S342 PolarHBondContact O-N 3.36Å; V340-S342 VanDerWaalsContact O-N 3.11Å |
| 341 | K | 80.5 | Confident | 67.5 | Low | 86 Ų | 86 | 86.4 Ų | 86.4 | 37% | 0.374 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 116.1 | -176.2 | -170 | 175.7 | 178.5 | -177.4 | 0 | 110 | E23 P24 G327 | E23-K341 HydrophobicContact CG-CD 4.15Å; E23-K341 IonicContact OE1-NZ 3.58Å; E23-K341 PolarHBondContact OE1-NZ 3.3Å; E23-K341 IonicContact OE2-NZ 2.78Å; P24-K341 WeakPolarHBondContact CD-O 3.26Å; P24-K341 WeakPolarHBondContact CG-O 3.28Å; G327-K341 WeakPolarHBondContact O-CB 3.35Å; G327-K341 PolarHBondContact O-N 2.79Å |
| 342 | S | 63.4 | Low | 65.4 | Low | 25 Ų | 25 | 91.7 Ų | 91.7 | 18% | 0.175 | 46% | 0.463 | C | S | . | . | trans | -118 | 43.2 | -170.1 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | V340 F344 L345 T346 | V340-S342 PolarHBondContact O-N 3.36Å; V340-S342 VanDerWaalsContact O-N 3.11Å; S342-F344 PolarHBondContact O-N 2.92Å; S342-L345 PolarHBondContact O-N 3.15Å; S342-T346 PolarHBondContact O-N 3.44Å; S342-T346 VanDerWaalsContact O-N 3.12Å; S342-T346 PolarHBondContact O-OG1 3.11Å | ||
| 343 | S | 54.2 | Low | 62.9 | Low | 49 Ų | 49 | 94.4 Ų | 94.4 | 34% | 0.343 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -16.3 | 177.1 | -27.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 344 | F | 52.9 | Low | 60.5 | Low | 124 Ų | 124 | 98.6 Ų | 98.6 | 54% | 0.544 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -22.5 | 179.5 | -60.8 | -81.3 | 0 | 0 | 0 | 114.5 | S342 | S342-F344 PolarHBondContact O-N 2.92Š|
| 345 | L | 49 | Very low | 58.2 | Low | 46 Ų | 46 | 102.5 Ų | 102.5 | 24% | 0.241 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -32.2 | 176.5 | -62.1 | 172.4 | 0 | 0 | 0 | 111 | S342 Y358 V360 | S342-L345 PolarHBondContact O-N 3.15Å; L345-Y358 VanDerWaalsContact CD2-CB 3.49Å; L345-Y358 HydrophobicContact CD2-CG 4.3Å; L345-V360 HydrophobicContact CD1-CG2 4.46Å |
| 346 | T | 43 | Very low | 56.1 | Low | 89 Ų | 89 | 101.9 Ų | 101.9 | 55% | 0.546 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -101.3 | 91.7 | 167.5 | 47.8 | 0 | 0 | 0 | 0 | 107.1 | S342 N348 | S342-T346 PolarHBondContact O-N 3.44Å; S342-T346 VanDerWaalsContact O-N 3.12Å; S342-T346 PolarHBondContact O-OG1 3.11Å; T346-N348 PolarHBondContact O-N 3.22Å |
| 347 | G | 35.8 | Very low | 54.5 | Low | 52 Ų | 52 | 106.7 Ų | 106.7 | 54% | 0.536 | 55% | 0.551 | S | S | . | * | trans | -48.6 | 129.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L349 | G347-L349 PolarHBondContact O-N 3.47Š| ||
| 348 | N | 33.1 | Very low | 53.3 | Low | 142 Ų | 142 | 109.5 Ų | 109.5 | 76% | 0.759 | 56% | 0.56 | S | S | * | * | trans | -27.4 | 114.7 | 178.3 | -79.8 | -28.4 | 0 | 0 | 0 | 111.6 | T346 Q350 | T346-N348 PolarHBondContact O-N 3.22Å; N348-Q350 PolarHBondContact O-N 2.95Å | ||
| 349 | L | 37.2 | Very low | 52.6 | Low | 177 Ų | 177 | 107.6 Ų | 107.6 | 93% | 0.927 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -62.2 | 81.2 | 160.3 | -85.2 | 161.6 | 0 | 0 | 0 | 107.8 | G347 | G347-L349 PolarHBondContact O-N 3.47Š|
| 350 | Q | 38.5 | Very low | 52.3 | Low | 173 Ų | 173 | 105.3 Ų | 105.3 | 81% | 0.808 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 172.4 | 106.6 | 140.8 | -91.5 | 166.1 | 17.7 | 0 | 0 | 108.8 | N348 | N348-Q350 PolarHBondContact O-N 2.95Š|
| 351 | R | 39.3 | Very low | 52.1 | Low | 243 Ų | 243 | 106.4 Ų | 106.4 | 92% | 0.917 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 78.8 | 89.1 | 165.7 | -54.3 | -179.9 | -174.1 | 179.8 | 2 | 117.7 | ||
| 352 | R | 32.6 | Very low | 52.5 | Low | 243 Ų | 243 | 103.7 Ų | 103.7 | 92% | 0.917 | 53% | 0.534 | S | S | * | . | 173.5 | 139.9 | 118.4 | -94.3 | 172.4 | -178.5 | -169.1 | 0.7 | 109.9 | D354 | R352-D354 PolarHBondContact O-N 3.39Š| |||
| 353 | A | 33.7 | Very low | 53.9 | Low | 103 Ų | 103 | 102.7 Ų | 102.7 | 85% | 0.851 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -78.4 | 38.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 354 | D | 40 | Very low | 55.8 | Low | 156 Ų | 156 | 101 Ų | 101 | 83% | 0.834 | 51% | 0.513 | S | S | * | . | trans | -141 | 58.9 | 177.6 | -76.5 | -41.9 | 0 | 0 | 0 | 110.9 | R352 K356 | R352-D354 PolarHBondContact O-N 3.39Å; D354-K356 PolarHBondContact O-N 3.48Å; D354-K356 VanDerWaalsContact O-N 3.13Å | ||
| 355 | S | 42.3 | Very low | 57.6 | Low | 103 Ų | 103 | 95.9 Ų | 95.9 | 72% | 0.72 | 49% | 0.493 | S | S | * | . | trans | -77.4 | 97.8 | 175.8 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | Q357 | S355-Q357 PolarHBondContact O-N 3.28Å; S355-Q357 VanDerWaalsContact O-N 3.12Å | ||
| 356 | K | 49.9 | Very low | 59.4 | Low | 133 Ų | 133 | 93.9 Ų | 93.9 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | trans | -56.6 | 114.5 | 168.4 | -68.2 | 178.8 | 179.7 | 178.8 | 0 | 109 | D354 Y358 | D354-K356 PolarHBondContact O-N 3.48Å; D354-K356 VanDerWaalsContact O-N 3.13Å; K356-Y358 HydrophobicContact CB-CE2 4.09Å; K356-Y358 VanDerWaalsContact O-CD2 3.26Å; K356-Y358 WeakPolarHBondContact O-CD2 3.37Å; K356-Y358 WeakPolarHBondContact O-CE2 3.44Å; K356-Y358 PolarHBondContact O-N 3.45Å | ||
| 357 | Q | 58.1 | Low | 61.5 | Low | 131 Ų | 131 | 90 Ų | 90 | 61% | 0.612 | 46% | 0.462 | S | S | * | . | trans | -77.6 | 119.7 | 177.7 | -164.4 | 162.9 | -12.7 | 0 | 0 | 108.3 | S355 | S355-Q357 PolarHBondContact O-N 3.28Å; S355-Q357 VanDerWaalsContact O-N 3.12Å | ||
| 358 | Y | 67.8 | Low | 64.1 | Low | 75 Ų | 75 | 88.3 Ų | 88.3 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.9 | -179.1 | -69.3 | -78.5 | 0 | 0 | 0 | 109.7 | L345 K356 Y374 N376 | L345-Y358 VanDerWaalsContact CD2-CB 3.49Å; L345-Y358 HydrophobicContact CD2-CG 4.3Å; K356-Y358 HydrophobicContact CB-CE2 4.09Å; K356-Y358 VanDerWaalsContact O-CD2 3.26Å; K356-Y358 WeakPolarHBondContact O-CD2 3.37Å; K356-Y358 WeakPolarHBondContact O-CE2 3.44Å; K356-Y358 PolarHBondContact O-N 3.45Å; Y358-Y374 AromaticContact CD1-CD2 3.59Å; Y358-Y374 HydrophobicContact CD1-CD2 3.59Å; Y358-Y374 AromaticContact CD1-CE2 3.72Å; Y358-Y374 HydrophobicContact CD1-CE2 3.72Å; Y358-Y374 HydrophobicContact CE1-CD2 4.17Å; Y358-Y374 AromaticContact CE1-CE2 3.81Å; Y358-Y374 HydrophobicContact CE1-CE2 3.81Å; Y358-Y374 HydrophobicContact CG-CD2 4.31Å; Y358-N376 HydrophobicContact CD1-CB 4.39Å; Y358-N376 HydrophobicContact CE1-CB 4.27Å |
| 359 | T | 75.5 | Confident | 66.9 | Low | 47 Ų | 47 | 81.6 Ų | 81.6 | 29% | 0.288 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.1 | 179.6 | -52.1 | 0 | 0 | 0 | 0 | 109.9 | Y374 S375 T383 | T359-Y374 CarbonylContact O-C 3.57Å; T359-Y374 VanDerWaalsContact O-CA 3.27Å; T359-Y374 WeakPolarHBondContact O-CA 3.39Å; T359-S375 PolarHBondContact N-O 3.01Å; T359-S375 PolarHBondContact O-N 2.98Å; T359-T383 WeakPolarHBondContact CG2-OG1 3.36Å |
| 360 | V | 83.1 | Confident | 69.5 | Low | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.024 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 127.4 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | L308 L345 I363 L372 T383 | L308-V360 HydrophobicContact CD1-CB 4Å; L308-V360 HydrophobicContact CD1-CG1 4.02Å; L308-V360 HydrophobicContact CD1-CG2 4.27Å; L308-V360 HydrophobicContact CD2-CB 4.31Å; L308-V360 HydrophobicContact CD2-CG1 4.02Å; L345-V360 HydrophobicContact CD1-CG2 4.46Å; V360-I363 HydrophobicContact CG1-CG2 4.24Å; V360-L372 HydrophobicContact CG1-CD1 4.04Å; V360-L372 HydrophobicContact CG1-CD2 4.15Å; V360-L372 HydrophobicContact CG1-CG 3.9Å; V360-L372 HydrophobicContact CG2-CD1 4.23Å; V360-L372 HydrophobicContact CG2-CD2 4.28Å; V360-T383 WeakPolarHBondContact O-CB 3.35Å; V360-T383 VanDerWaalsContact O-CG2 3.22Å; V360-T383 WeakPolarHBondContact O-CG2 3.41Å; V360-T383 PolarHBondContact O-OG1 3.09Å |
| 361 | I | 84.4 | Confident | 72.1 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -51.4 | 178.7 | -57.3 | 170.5 | 0 | 0 | 0 | 110.8 | Q297 L373 A381 E384 | Q297-I361 PolarHBondContact NE2-O 3.07Å; I361-L373 HydrophobicContact CB-CB 4.22Å; I361-L373 PolarHBondContact N-O 2.77Å; I361-A381 HydrophobicContact CD1-CB 4.16Å; I361-E384 PolarHBondContact O-N 3.08Å |
| 362 | K | 88.8 | Confident | 74.5 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 134.7 | -173.9 | -166.8 | 170.3 | 176.5 | 169.8 | 0 | 111.9 | E37 Q297 I364 L373 F386 | E37-K362 IonicContact OE1-NZ 3.64Å; E37-K362 PolarHBondContact OE1-NZ 2.93Å; Q297-K362 VanDerWaalsContact OE1-CA 3.25Å; K362-I364 HydrophobicContact CD-CD1 4.35Å; K362-I364 HydrophobicContact CD-CG1 4.45Å; K362-I364 HydrophobicContact CG-CD1 4.37Å; K362-I364 HydrophobicContact CG-CG1 4.09Å; K362-L373 HydrophobicContact CB-CB 4.29Å; K362-L373 HydrophobicContact CB-CD1 4.21Å; K362-L373 HydrophobicContact CB-CG 4.42Å; K362-L373 PolarHBondContact N-O 3.4Å; K362-L373 PolarHBondContact O-N 3.04Å; K362-F386 HydrophobicContact CG-CZ 4.26Å |
| 363 | I | 93.1 | Very high | 77.1 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140.4 | 170 | 63 | 172.3 | 0 | 0 | 0 | 110.8 | Q297 A299 L306 L308 V315 V360 | Q297-I363 HydrophobicContact CB-CD1 3.94Å; Q297-I363 HydrophobicContact CB-CG1 3.84Å; A299-I363 HydrophobicContact CB-CD1 4.25Å; A299-I363 HydrophobicContact CB-CG1 4.09Å; L306-I363 HydrophobicContact CB-CD1 3.97Å; L308-I363 HydrophobicContact CB-CD1 4.19Å; L308-I363 HydrophobicContact CB-CG2 4.24Å; V315-I363 HydrophobicContact CG1-CG2 4.18Å; V315-I363 HydrophobicContact CG2-CG2 3.87Å; V360-I363 HydrophobicContact CG1-CG2 4.24Å |
| 364 | I | 92.9 | Very high | 79.5 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 134.2 | -173.3 | -54.4 | 173.2 | 0 | 0 | 0 | 109.1 | V38 K362 S370 F371 L373 | V38-I364 HydrophobicContact CB-CD1 3.56Å; V38-I364 HydrophobicContact CB-CG2 4.34Å; V38-I364 HydrophobicContact CG2-CD1 3.86Å; V38-I364 WeakPolarHBondContact O-CG2 3.43Å; K362-I364 HydrophobicContact CD-CD1 4.35Å; K362-I364 HydrophobicContact CD-CG1 4.45Å; K362-I364 HydrophobicContact CG-CD1 4.37Å; K362-I364 HydrophobicContact CG-CG1 4.09Å; I364-S370 WeakPolarHBondContact O-CA 3.28Å; I364-F371 HydrophobicContact CB-CB 4.2Å; I364-F371 PolarHBondContact N-O 2.87Å; I364-F371 PolarHBondContact O-N 2.97Å; I364-L373 HydrophobicContact CD1-CD1 4.2Å; I364-L373 HydrophobicContact CD1-CG 4.27Å |
| 365 | C | 92.3 | Very high | 81.2 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 12% | 0.115 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.1 | 176.3 | -66.9 | 0 | 0 | 0 | 0 | 110.2 | A299 C300 L306 | A299-C365 HydrophobicContact CB-CB 4.05Å; A299-C365 VanDerWaalsContact CB-SG 3.53Å; A299-C365 PolarHBondContact O-SG 2.68Å; C300-C365 VanDerWaalsContact C-CB 3.41Å; C300-C365 WeakPolarHBondContact O-CB 3.23Å; L306-C365 WeakPolarHBondContact CD1-SG 2.74Å; L306-C365 WeakPolarHBondContact CG-SG 3.13Å |
| 366 | G | 86.1 | Confident | 82.6 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | trans | -111.5 | -161.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G301 R302 H369 | G301-G366 WeakPolarHBondContact CA-O 3.19Å; R302-G366 PolarHBondContact N-O 2.76Å; G366-H369 WeakPolarHBondContact CA-O 3.47Å; G366-H369 PolarHBondContact N-O 3.23Å | ||
| 367 | G | 86.2 | Confident | 82.9 | Confident | 8 Ų | 8 | 31 Ų | 31 | 8% | 0.082 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -51.6 | -75.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G41 R302 | G41-G367 PolarHBondContact O-N 2.85Å; G41-G367 VanDerWaalsContact O-N 3.16Å; R302-G367 WeakPolarHBondContact CB-O 3.49Å; R302-G367 PolarHBondContact N-O 3.06Å |
| 368 | D | 91.1 | Very high | 82.6 | Confident | 16 Ų | 16 | 33.4 Ų | 33.4 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -120.9 | 26.6 | 179.8 | -49.7 | -50.1 | 0 | 0 | 0 | 112.3 | N6 R302 | N6-D368 HydrophobicContact CB-CB 3.83Å; N6-D368 WeakPolarHBondContact CB-O 3.32Å; N6-D368 PolarHBondContact N-O 3.03Å; R302-D368 IonicContact CZ-OD1 3.43Å; R302-D368 IonicContact CZ-OD2 3.89Å; R302-D368 VanDerWaalsContact NH1-CG 3.32Å; R302-D368 IonicContact NH1-OD1 3.73Å; R302-D368 PolarHBondContact NH1-OD1 2.99Å; R302-D368 VanDerWaalsContact NH1-OD1 3.12Å; R302-D368 IonicContact NH1-OD2 3.91Å; R302-D368 PolarHBondContact NH1-OD2 3.46Å |
| 369 | H | 91.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.5 | -175.7 | 65.2 | -76.2 | 0 | 0 | 0 | 111.2 | W4 Q11 L12 T45 G366 F371 | W4-H369 WeakPolarHBondContact O-CA 3.48Å; W4-H369 WeakPolarHBondContact O-CB 3.43Å; Q11-H369 HydrophobicContact CG-CB 4.42Å; L12-H369 HydrophobicContact CD2-CB 3.78Å; T45-H369 PolarHBondContact OG1-NE2 3.44Å; T45-H369 VanDerWaalsContact OG1-NE2 3.14Å; G366-H369 WeakPolarHBondContact CA-O 3.47Å; G366-H369 PolarHBondContact N-O 3.23Å; H369-F371 AromaticContact CD2-CE2 3.27Å; H369-F371 WeakPolarHBondContact CD2-CE2 3.23Å; H369-F371 AromaticContact CD2-CZ 3.81Å; H369-F371 AromaticContact NE2-CE2 3.57Å |
| 370 | S | 92.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 151.2 | -171.5 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | C3 W4 H304 Q325 I364 | C3-S370 WeakPolarHBondContact CA-O 3.49Å; W4-S370 VanDerWaalsContact CZ2-CB 3.45Å; W4-S370 PolarHBondContact N-O 2.94Å; W4-S370 PolarHBondContact O-N 3.44Å; H304-S370 PolarHBondContact NE2-OG 3.34Å; Q325-S370 PolarHBondContact O-OG 3.39Å; Q325-S370 VanDerWaalsContact O-OG 3.1Å; I364-S370 WeakPolarHBondContact O-CA 3.28Å |
| 371 | F | 91.7 | Very high | 79.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.1 | 177.4 | -61 | -89.4 | 0 | 0 | 0 | 111.7 | M1 L2 C3 L12 V38 C40 T45 F47 I364 H369 | M1-F371 HydrophobicContact CE-CD1 3.94Å; M1-F371 HydrophobicContact CE-CE1 4.07Å; M1-F371 HydrophobicContact CG-CD1 4.27Å; M1-F371 HydrophobicContact SD-CB 4.48Å; M1-F371 HydrophobicContact SD-CD1 3.72Å; M1-F371 HydrophobicContact SD-CE1 4.37Å; M1-F371 HydrophobicContact SD-CG 4.41Å; L2-F371 CarbonylContact O-C 3.53Å; L2-F371 WeakPolarHBondContact O-CA 3.33Å; C3-F371 HydrophobicContact CB-CD1 3.4Å; C3-F371 VanDerWaalsContact CB-CD1 3.4Å; C3-F371 HydrophobicContact CB-CE1 3.44Å; C3-F371 VanDerWaalsContact CB-CE1 3.44Å; C3-F371 HydrophobicContact CB-CG 4.46Å; L12-F371 HydrophobicContact CD2-CZ 4.42Å; V38-F371 HydrophobicContact CG1-CD2 4.04Å; V38-F371 HydrophobicContact CG1-CE2 4.15Å; V38-F371 HydrophobicContact CG1-CG 4.43Å; C40-F371 VanDerWaalsContact SG-CD2 3.51Å; C40-F371 WeakPolarHBondContact SG-CE2 2.98Å; T45-F371 HydrophobicContact CG2-CE2 3.64Å; T45-F371 HydrophobicContact CG2-CZ 3.77Å; F47-F371 HydrophobicContact CE1-CE1 4.16Å; F47-F371 HydrophobicContact CE1-CZ 4.34Å; F47-F371 HydrophobicContact CZ-CE1 4.29Å; F47-F371 HydrophobicContact CZ-CZ 4.24Å; I364-F371 HydrophobicContact CB-CB 4.2Å; I364-F371 PolarHBondContact N-O 2.87Å; I364-F371 PolarHBondContact O-N 2.97Å; H369-F371 AromaticContact CD2-CE2 3.27Å; H369-F371 WeakPolarHBondContact CD2-CE2 3.23Å; H369-F371 AromaticContact CD2-CZ 3.81Å; H369-F371 AromaticContact NE2-CE2 3.57Å |
| 372 | L | 89.8 | Confident | 78.2 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 124.7 | 173.9 | -176 | 152 | 0 | 0 | 0 | 110.3 | M1 L2 W4 V315 V360 Y374 | M1-L372 CarbonylContact C-O 3.55Å; M1-L372 WeakPolarHBondContact CA-O 3.45Å; L2-L372 HydrophobicContact CB-CB 4.25Å; L2-L372 HydrophobicContact CD1-CD2 4.15Å; L2-L372 HydrophobicContact CG-CD2 4.43Å; L2-L372 PolarHBondContact N-O 3Å; L2-L372 PolarHBondContact O-N 2.86Å; W4-L372 HydrophobicContact CH2-CB 3.83Å; W4-L372 HydrophobicContact CH2-CD1 4.48Å; W4-L372 HydrophobicContact CZ3-CB 3.67Å; V315-L372 HydrophobicContact CG2-CD1 3.73Å; V360-L372 HydrophobicContact CG1-CD1 4.04Å; V360-L372 HydrophobicContact CG1-CD2 4.15Å; V360-L372 HydrophobicContact CG1-CG 3.9Å; V360-L372 HydrophobicContact CG2-CD1 4.23Å; V360-L372 HydrophobicContact CG2-CD2 4.28Å; L372-Y374 HydrophobicContact CD2-CD1 4.08Å; L372-Y374 HydrophobicContact CD2-CG 4.45Å |
| 373 | L | 87.8 | Confident | 77.4 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 131.5 | 172.5 | -56 | -173 | 0 | 0 | 0 | 109 | M1 L35 V38 I361 K362 I364 | M1-L373 HydrophobicContact CB-CD2 3.91Å; M1-L373 HydrophobicContact CG-CD2 3.73Å; M1-L373 HydrophobicContact SD-CD2 3.89Å; L35-L373 HydrophobicContact CD2-CD2 3.58Å; L35-L373 HydrophobicContact CG-CD2 4.42Å; V38-L373 HydrophobicContact CG2-CD2 4.41Å; I361-L373 HydrophobicContact CB-CB 4.22Å; I361-L373 PolarHBondContact N-O 2.77Å; K362-L373 HydrophobicContact CB-CB 4.29Å; K362-L373 HydrophobicContact CB-CD1 4.21Å; K362-L373 HydrophobicContact CB-CG 4.42Å; K362-L373 PolarHBondContact N-O 3.4Å; K362-L373 PolarHBondContact O-N 3.04Å; I364-L373 HydrophobicContact CD1-CD1 4.2Å; I364-L373 HydrophobicContact CD1-CG 4.27Å |
| 374 | Y | 83.2 | Confident | 76.8 | Confident | 58 Ų | 58 | 46.1 Ų | 46.1 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 148 | 179.8 | 67.8 | -92.1 | 0 | 0 | 0 | 110.4 | L2 Y358 T359 L372 | L2-Y374 HydrophobicContact CD1-CD1 4.46Å; L2-Y374 HydrophobicContact CD1-CE1 4.5Å; L2-Y374 HydrophobicContact CD2-CD1 4.41Å; L2-Y374 HydrophobicContact CD2-CE1 3.69Å; L2-Y374 HydrophobicContact CG-CD1 3.86Å; L2-Y374 HydrophobicContact CG-CE1 3.64Å; Y358-Y374 AromaticContact CD1-CD2 3.59Å; Y358-Y374 HydrophobicContact CD1-CD2 3.59Å; Y358-Y374 AromaticContact CD1-CE2 3.72Å; Y358-Y374 HydrophobicContact CD1-CE2 3.72Å; Y358-Y374 HydrophobicContact CE1-CD2 4.17Å; Y358-Y374 AromaticContact CE1-CE2 3.81Å; Y358-Y374 HydrophobicContact CE1-CE2 3.81Å; Y358-Y374 HydrophobicContact CG-CD2 4.31Å; T359-Y374 CarbonylContact O-C 3.57Å; T359-Y374 VanDerWaalsContact O-CA 3.27Å; T359-Y374 WeakPolarHBondContact O-CA 3.39Å; L372-Y374 HydrophobicContact CD2-CD1 4.08Å; L372-Y374 HydrophobicContact CD2-CG 4.45Å |
| 375 | S | 77.1 | Confident | 76.5 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 155.6 | 174.5 | -167.7 | 0 | 0 | 0 | 0 | 110.4 | T359 S379 | T359-S375 PolarHBondContact N-O 3.01Å; T359-S375 PolarHBondContact O-N 2.98Å; S375-S379 WeakPolarHBondContact OG-CB 3.3Å; S375-S379 PolarHBondContact OG-O 3.18Å; S375-S379 PolarHBondContact OG-OG 2.97Å |
| 376 | N | 70.4 | Confident | 76.3 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 149.3 | 166.4 | -171.5 | 29.3 | 0 | 0 | 0 | 108.4 | Y358 Q378 S379 | Y358-N376 HydrophobicContact CD1-CB 4.39Å; Y358-N376 HydrophobicContact CE1-CB 4.27Å; N376-Q378 PolarHBondContact O-N 3.48Å; N376-S379 PolarHBondContact O-N 3Å |
| 377 | E | 56.1 | Low | 76.4 | Confident | 137 Ų | 137 | 49.8 Ų | 49.8 | 64% | 0.64 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -17.6 | -172.9 | -70 | -171.4 | 155.3 | 0 | 0 | 115.7 | S379 | E377-S379 PolarHBondContact O-N 3.36Š|
| 378 | Q | 52.2 | Low | 76.4 | Confident | 183 Ų | 183 | 54.8 Ų | 54.8 | 86% | 0.855 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10.5 | 174.9 | -68.1 | -179.4 | -21.8 | 0 | 0 | 114.3 | N376 | N376-Q378 PolarHBondContact O-N 3.48Š|
| 379 | S | 51.3 | Low | 75.9 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 48% | 0.483 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -115.5 | 115.5 | 178.5 | 161.4 | 0 | 0 | 0 | 0 | 109.2 | S375 N376 E377 A381 | S375-S379 WeakPolarHBondContact OG-CB 3.3Å; S375-S379 PolarHBondContact OG-O 3.18Å; S375-S379 PolarHBondContact OG-OG 2.97Å; N376-S379 PolarHBondContact O-N 3Å; E377-S379 PolarHBondContact O-N 3.36Å; S379-A381 PolarHBondContact O-N 2.87Å |
| 380 | S | 48.7 | Very low | 75.3 | Confident | 131 Ų | 131 | 60.6 Ų | 60.6 | 92% | 0.916 | 35% | 0.346 | S | S | * | . | trans | -70.9 | 36 | -173.4 | 81.5 | 0 | 0 | 0 | 0 | 115 | A382 | S380-A382 PolarHBondContact O-N 3.45Š| ||
| 381 | A | 57.2 | Low | 74.7 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | trans | -86.4 | 106.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | I361 S379 | I361-A381 HydrophobicContact CD1-CB 4.16Å; S379-A381 PolarHBondContact O-N 2.87Å | ||
| 382 | A | 62.7 | Low | 74.2 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 70% | 0.702 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -67 | 146.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S380 E384 | S380-A382 PolarHBondContact O-N 3.45Å; A382-E384 PolarHBondContact O-N 3.16Å |
| 383 | T | 70.2 | Confident | 73.7 | Confident | 53 Ų | 53 | 72 Ų | 72 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -58 | 131.3 | 170.5 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | L308 T359 V360 D385 | L308-T383 HydrophobicContact CD2-CG2 4.3Å; T359-T383 WeakPolarHBondContact CG2-OG1 3.36Å; V360-T383 WeakPolarHBondContact O-CB 3.35Å; V360-T383 VanDerWaalsContact O-CG2 3.22Å; V360-T383 WeakPolarHBondContact O-CG2 3.41Å; V360-T383 PolarHBondContact O-OG1 3.09Å; T383-D385 PolarHBondContact O-N 2.85Å |
| 384 | E | 80.8 | Confident | 73.5 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 36% | 0.36 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 125.7 | 173.3 | -66.9 | -165.4 | 154.9 | 0 | 0 | 109.3 | Q297 I361 A382 F386 | Q297-E384 WeakPolarHBondContact CG-O 3.29Å; Q297-E384 PolarHBondContact NE2-O 3.17Å; I361-E384 PolarHBondContact O-N 3.08Å; A382-E384 PolarHBondContact O-N 3.16Å; E384-F386 HydrophobicContact CB-CD1 4.48Å; E384-F386 HydrophobicContact CB-CE1 4.13Å |
| 385 | D | 86.2 | Confident | 73.7 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | trans | -104.2 | 112.5 | 172.7 | -166.3 | -23.4 | 0 | 0 | 0 | 108.8 | T383 R387 V388 | T383-D385 PolarHBondContact O-N 2.85Å; D385-R387 PolarHBondContact O-N 2.97Å; D385-R387 WeakPolarHBondContact OD1-CB 3.41Å; D385-R387 VanDerWaalsContact OD1-CG 3.26Å; D385-R387 WeakPolarHBondContact OD1-CG 3.38Å; D385-R387 IonicContact OD1-CZ 3.82Å; D385-R387 PolarHBondContact OD1-N 3.27Å; D385-R387 IonicContact OD1-NE 2.74Å; D385-R387 PolarHBondContact OD1-NE 3.05Å; D385-R387 IonicContact OD2-CZ 3.03Å; D385-R387 IonicContact OD2-NE 2.79Å; D385-R387 PolarHBondContact OD2-NE 3Å; D385-R387 VanDerWaalsContact OD2-NE 3.11Å; D385-R387 IonicContact OD2-NH2 2.73Å; D385-R387 PolarHBondContact OD2-NH2 3.22Å; D385-V388 HydrophobicContact CB-CG2 4.27Å; D385-V388 PolarHBondContact O-N 3.15Å; D385-V388 VanDerWaalsContact O-N 3.17Å | ||
| 386 | F | 89.1 | Confident | 74.1 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -7.8 | -179.1 | -62.5 | -9.7 | 0 | 0 | 0 | 112.3 | Y245 L256 S296 Q297 K362 E384 V388 | Y245-F386 HydrophobicContact CD1-CB 4.48Å; Y245-F386 AromaticContact CD1-CD2 3.94Å; Y245-F386 HydrophobicContact CD1-CD2 3.94Å; Y245-F386 HydrophobicContact CD2-CB 3.91Å; Y245-F386 HydrophobicContact CD2-CD2 4.07Å; Y245-F386 HydrophobicContact CD2-CG 4.11Å; Y245-F386 AromaticContact CE1-CD2 3.65Å; Y245-F386 HydrophobicContact CE1-CD2 3.65Å; Y245-F386 HydrophobicContact CE1-CE2 4.03Å; Y245-F386 HydrophobicContact CE2-CB 4.39Å; Y245-F386 AromaticContact CE2-CD2 3.79Å; Y245-F386 HydrophobicContact CE2-CD2 3.79Å; Y245-F386 HydrophobicContact CE2-CE2 4.22Å; Y245-F386 HydrophobicContact CE2-CG 4.07Å; Y245-F386 HydrophobicContact CG-CB 3.95Å; Y245-F386 HydrophobicContact CG-CD2 4.13Å; Y245-F386 HydrophobicContact CG-CG 4.38Å; Y245-F386 AromaticContact CZ-CD2 3.57Å; Y245-F386 AromaticContact CZ-CE2 3.74Å; L256-F386 HydrophobicContact CD2-CB 4.23Å; S296-F386 WeakPolarHBondContact O-CB 3.48Å; S296-F386 PolarHBondContact O-N 2.68Å; Q297-F386 HydrophobicContact CB-CD2 3.78Å; Q297-F386 HydrophobicContact CB-CE2 3.77Å; Q297-F386 HydrophobicContact CB-CG 4.29Å; Q297-F386 HydrophobicContact CB-CZ 4.28Å; Q297-F386 HydrophobicContact CG-CD1 4.06Å; Q297-F386 HydrophobicContact CG-CD2 3.94Å; Q297-F386 HydrophobicContact CG-CE1 4.08Å; Q297-F386 HydrophobicContact CG-CE2 3.97Å; Q297-F386 HydrophobicContact CG-CG 3.98Å; Q297-F386 HydrophobicContact CG-CZ 4.03Å; K362-F386 HydrophobicContact CG-CZ 4.26Å; E384-F386 HydrophobicContact CB-CD1 4.48Å; E384-F386 HydrophobicContact CB-CE1 4.13Å; F386-V388 VanDerWaalsContact C-N 3.27Å |
| 387 | R | 88.8 | Confident | 74.8 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 14% | 0.143 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -19.5 | 172.2 | -56.4 | 175 | -65.4 | 170.5 | -0.3 | 112.9 | V244 L256 K258 E294 V295 D385 | V244-R387 HydrophobicContact CG2-CB 4.33Å; L256-R387 HydrophobicContact CD2-CG 4.07Å; L256-R387 HydrophobicContact CG-CG 4.44Å; K258-R387 WeakPolarHBondContact O-CD 3.5Å; E294-R387 IonicContact OE2-CZ 3.52Å; E294-R387 IonicContact OE2-NH1 2.64Å; E294-R387 PolarHBondContact OE2-NH1 3.42Å; E294-R387 IonicContact OE2-NH2 3.51Å; V295-R387 WeakPolarHBondContact O-CD 3.45Å; D385-R387 PolarHBondContact O-N 2.97Å; D385-R387 WeakPolarHBondContact OD1-CB 3.41Å; D385-R387 VanDerWaalsContact OD1-CG 3.26Å; D385-R387 WeakPolarHBondContact OD1-CG 3.38Å; D385-R387 IonicContact OD1-CZ 3.82Å; D385-R387 PolarHBondContact OD1-N 3.27Å; D385-R387 IonicContact OD1-NE 2.74Å; D385-R387 PolarHBondContact OD1-NE 3.05Å; D385-R387 IonicContact OD2-CZ 3.03Å; D385-R387 IonicContact OD2-NE 2.79Å; D385-R387 PolarHBondContact OD2-NE 3Å; D385-R387 VanDerWaalsContact OD2-NE 3.11Å; D385-R387 IonicContact OD2-NH2 2.73Å; D385-R387 PolarHBondContact OD2-NH2 3.22Å |
| 388 | V | 85.1 | Confident | 76.3 | Confident | 112 Ų | 112 | 61.4 Ų | 61.4 | 68% | 0.679 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -94.7 | 101 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | D385 F386 | D385-V388 HydrophobicContact CB-CG2 4.27Å; D385-V388 PolarHBondContact O-N 3.15Å; D385-V388 VanDerWaalsContact O-N 3.17Å; F386-V388 VanDerWaalsContact C-N 3.27Å |
| 389 | V | 80.6 | Confident | 78 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | trans | -80.2 | 121.6 | -179.7 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | A192 L206 V244 | A192-V389 HydrophobicContact CB-CG1 4.25Å; L206-V389 HydrophobicContact CD2-CG1 3.77Å; V244-V389 HydrophobicContact CB-CG2 3.8Å; V244-V389 HydrophobicContact CG1-CG2 4.04Å | ||
| 390 | N | 79.3 | Confident | 79.6 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | trans | -99 | 101.6 | 171.9 | -173.4 | -20.7 | 0 | 0 | 0 | 110.6 | S392 K393 | N390-S392 VanDerWaalsContact C-N 3.27Å; N390-S392 PolarHBondContact O-N 3.42Å; N390-S392 WeakPolarHBondContact OD1-CB 3.12Å; N390-S392 PolarHBondContact OD1-N 3.28Å; N390-S392 VanDerWaalsContact OD1-N 3.11Å; N390-S392 PolarHBondContact OD1-OG 3.32Å; N390-K393 HydrophobicContact CB-CD 4.13Å; N390-K393 HydrophobicContact CB-CG 4.09Å; N390-K393 WeakPolarHBondContact O-CB 3.35Å; N390-K393 PolarHBondContact O-N 2.88Å; N390-K393 VanDerWaalsContact O-N 3.1Å | ||
| 391 | V | 80.9 | Confident | 81.3 | Confident | 33 Ų | 33 | 59.6 Ų | 59.6 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.8 | -40.6 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | L206 K393 S394 L395 P397 A434 | L206-V391 HydrophobicContact CD1-CB 4.48Å; L206-V391 HydrophobicContact CD1-CG1 3.7Å; L206-V391 HydrophobicContact CD1-CG2 4.11Å; L206-V391 HydrophobicContact CD2-CG1 4.48Å; L206-V391 HydrophobicContact CD2-CG2 3.9Å; V391-K393 PolarHBondContact O-N 3.09Å; V391-K393 VanDerWaalsContact O-N 3.11Å; V391-S394 PolarHBondContact O-N 3.4Å; V391-S394 PolarHBondContact O-OG 2.84Å; V391-L395 PolarHBondContact O-N 3.21Å; V391-L395 VanDerWaalsContact O-O 3.07Å; V391-P397 HydrophobicContact CG1-CB 4.25Å; V391-P397 HydrophobicContact CG1-CG 4.09Å; V391-A434 HydrophobicContact CG1-CB 4.41Å |
| 392 | S | 80.4 | Confident | 82.7 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.7 | -17.8 | -178 | 72.6 | 0 | 0 | 0 | 0 | 114.2 | N390 L395 | N390-S392 VanDerWaalsContact C-N 3.27Å; N390-S392 PolarHBondContact O-N 3.42Å; N390-S392 WeakPolarHBondContact OD1-CB 3.12Å; N390-S392 PolarHBondContact OD1-N 3.28Å; N390-S392 VanDerWaalsContact OD1-N 3.11Å; N390-S392 PolarHBondContact OD1-OG 3.32Å; S392-L395 CarbonylContact C-O 3.58Å; S392-L395 WeakPolarHBondContact CA-O 3.33Å |
| 393 | K | 80.3 | Confident | 83.8 | Confident | 141 Ų | 141 | 56.2 Ų | 56.2 | 61% | 0.613 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -79.1 | -30 | 175.9 | -68.9 | -173.5 | 178.6 | 179.7 | 0 | 112.2 | N390 V391 | N390-K393 HydrophobicContact CB-CD 4.13Å; N390-K393 HydrophobicContact CB-CG 4.09Å; N390-K393 WeakPolarHBondContact O-CB 3.35Å; N390-K393 PolarHBondContact O-N 2.88Å; N390-K393 VanDerWaalsContact O-N 3.1Å; V391-K393 PolarHBondContact O-N 3.09Å; V391-K393 VanDerWaalsContact O-N 3.11Å |
| 394 | S | 83.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -98.6 | -47.4 | -177.6 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | S139 L191 A192 V391 | S139-S394 WeakPolarHBondContact CB-O 3.24Å; S139-S394 PolarHBondContact OG-O 3.4Å; L191-S394 PolarHBondContact O-OG 3.49Å; A192-S394 WeakPolarHBondContact O-CB 3.41Å; V391-S394 PolarHBondContact O-N 3.4Å; V391-S394 PolarHBondContact O-OG 2.84Å |
| 395 | L | 87.2 | Confident | 84.8 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -125.3 | 165.1 | -175.7 | -64 | 174.8 | 0 | 0 | 0 | 111 | R153 P190 L191 L206 V391 S392 P397 A434 | R153-L395 WeakPolarHBondContact O-CA 3.42Å; P190-L395 HydrophobicContact CB-CD1 4.09Å; L191-L395 WeakPolarHBondContact O-CD1 3.28Å; L206-L395 HydrophobicContact CD1-CD1 4.28Å; V391-L395 PolarHBondContact O-N 3.21Å; V391-L395 VanDerWaalsContact O-O 3.07Å; S392-L395 CarbonylContact C-O 3.58Å; S392-L395 WeakPolarHBondContact CA-O 3.33Å; L395-P397 WeakPolarHBondContact O-CD 3.4Å; L395-A434 HydrophobicContact CD1-CB 3.82Å |
| 396 | A | 85.9 | Confident | 84.7 | Confident | 10 Ų | 10 | 52 Ų | 52 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | trans | -98.5 | 89 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R153 Q425 | R153-A396 PolarHBondContact O-N 3.43Å; A396-Q425 HydrophobicContact CB-CG 4.24Å | ||
| 397 | P | 84.6 | Confident | 84.5 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 16% | 0.156 | 28% | 0.276 | C | S | . | . | trans | -66.3 | 144.2 | 176.9 | 29 | -35 | 0 | 0 | 0 | 110.7 | V391 L395 N399 | V391-P397 HydrophobicContact CG1-CB 4.25Å; V391-P397 HydrophobicContact CG1-CG 4.09Å; L395-P397 WeakPolarHBondContact O-CD 3.4Å; P397-N399 PolarHBondContact O-N 2.8Å | ||
| 398 | I | 88 | Confident | 84.3 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | trans | -93.1 | 95.3 | 179.9 | -49.9 | 177.1 | 0 | 0 | 0 | 107.3 | L403 W406 L426 C431 W432 S435 L462 | I398-L403 HydrophobicContact CG2-CD2 4.08Å; I398-L403 HydrophobicContact CG2-CG 4.34Å; I398-W406 HydrophobicContact CG1-CH2 4.22Å; I398-W406 HydrophobicContact CG2-CH2 4.38Å; I398-W406 HydrophobicContact CG2-CZ3 4.28Å; I398-L426 HydrophobicContact CD1-CD2 4.36Å; I398-C431 HydrophobicContact CD1-CB 4.41Å; I398-C431 HydrophobicContact CG1-CB 4.44Å; I398-W432 HydrophobicContact CD1-CD2 3.61Å; I398-W432 HydrophobicContact CD1-CE3 4.16Å; I398-W432 HydrophobicContact CD1-CG 4.01Å; I398-W432 HydrophobicContact CD1-CH2 4.09Å; I398-W432 HydrophobicContact CD1-CZ2 3.6Å; I398-W432 HydrophobicContact CD1-CZ3 4.36Å; I398-W432 HydrophobicContact CG2-CH2 4.35Å; I398-S435 PolarHBondContact N-OG 3.46Å; I398-S435 WeakPolarHBondContact O-CB 3.3Å; I398-L462 HydrophobicContact CG2-CD2 4.01Å | ||
| 399 | N | 86.8 | Confident | 84.2 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 35% | 0.348 | 27% | 0.273 | S | S | . | . | trans | -123 | 176.3 | 175.8 | 66.8 | 22.7 | 0 | 0 | 0 | 110.6 | P397 E401 Q402 L403 | P397-N399 PolarHBondContact O-N 2.8Å; N399-E401 VanDerWaalsContact C-N 3.31Å; N399-E401 PolarHBondContact O-N 3.01Å; N399-E401 PolarHBondContact OD1-N 3.44Å; N399-Q402 PolarHBondContact O-N 2.98Å; N399-Q402 WeakPolarHBondContact OD1-CB 3.19Å; N399-Q402 PolarHBondContact OD1-N 3.31Å; N399-L403 WeakPolarHBondContact O-CG 3.43Å; N399-L403 PolarHBondContact O-N 3.11Å | ||
| 400 | Y | 85.2 | Confident | 83.9 | Confident | 130 Ų | 130 | 54.8 Ų | 54.8 | 51% | 0.51 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.3 | -43.2 | -179.5 | -179.8 | -92.7 | 0 | 0 | 0 | 113.2 | Q402 L403 N404 V465 F471 | Y400-Q402 VanDerWaalsContact C-N 3.35Å; Y400-Q402 PolarHBondContact O-N 3.1Å; Y400-L403 PolarHBondContact O-N 2.87Å; Y400-N404 WeakPolarHBondContact O-CB 3.5Å; Y400-N404 PolarHBondContact O-N 3.26Å; Y400-V465 HydrophobicContact CD2-CG1 3.79Å; Y400-V465 HydrophobicContact CD2-CG2 4.32Å; Y400-V465 HydrophobicContact CE2-CG1 3.79Å; Y400-F471 HydrophobicContact CE2-CZ 4.43Å |
| 401 | E | 85.9 | Confident | 83.7 | Confident | 151 Ų | 151 | 57 Ų | 57 | 71% | 0.706 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.8 | -43.3 | -178.8 | -62.1 | -176.9 | 169.5 | 0 | 0 | 111.4 | N399 N404 S405 | N399-E401 VanDerWaalsContact C-N 3.31Å; N399-E401 PolarHBondContact O-N 3.01Å; N399-E401 PolarHBondContact OD1-N 3.44Å; E401-N404 PolarHBondContact O-N 2.8Å; E401-S405 WeakPolarHBondContact O-CB 3.44Å; E401-S405 PolarHBondContact O-N 3.29Å |
| 402 | Q | 85.1 | Confident | 83.1 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 178 | -168.5 | 69.2 | 0.4 | 0 | 0 | 111.5 | N399 Y400 N404 S405 W406 | N399-Q402 PolarHBondContact O-N 2.98Å; N399-Q402 WeakPolarHBondContact OD1-CB 3.19Å; N399-Q402 PolarHBondContact OD1-N 3.31Å; Y400-Q402 VanDerWaalsContact C-N 3.35Å; Y400-Q402 PolarHBondContact O-N 3.1Å; Q402-N404 VanDerWaalsContact C-N 3.32Å; Q402-N404 PolarHBondContact O-N 3.24Å; Q402-S405 WeakPolarHBondContact O-CB 3.34Å; Q402-S405 PolarHBondContact O-N 3.38Å; Q402-W406 HydrophobicContact CG-CD2 4.27Å; Q402-W406 HydrophobicContact CG-CH2 4.06Å; Q402-W406 HydrophobicContact CG-CZ2 3.42Å; Q402-W406 VanDerWaalsContact CG-CZ2 3.42Å; Q402-W406 VanDerWaalsContact NE2-NE1 3.2Å; Q402-W406 PolarHBondContact O-N 3.31Å |
| 403 | L | 85.8 | Confident | 82.3 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 173.6 | -71.9 | -179.8 | 0 | 0 | 0 | 111.6 | I398 N399 Y400 S405 W406 R407 L462 L466 F471 | I398-L403 HydrophobicContact CG2-CD2 4.08Å; I398-L403 HydrophobicContact CG2-CG 4.34Å; N399-L403 WeakPolarHBondContact O-CG 3.43Å; N399-L403 PolarHBondContact O-N 3.11Å; Y400-L403 PolarHBondContact O-N 2.87Å; L403-S405 VanDerWaalsContact C-N 3.35Å; L403-W406 HydrophobicContact CD2-CE3 3.83Å; L403-W406 HydrophobicContact CD2-CZ3 3.81Å; L403-W406 PolarHBondContact O-N 3.21Å; L403-R407 WeakPolarHBondContact O-CB 3.36Å; L403-R407 PolarHBondContact O-N 3.03Å; L403-L462 HydrophobicContact CD1-CD1 3.62Å; L403-L462 HydrophobicContact CD1-CD2 4.38Å; L403-L462 HydrophobicContact CD1-CG 3.95Å; L403-L466 HydrophobicContact CD2-CD1 4.28Å; L403-F471 HydrophobicContact CB-CE1 4.18Å |
| 404 | N | 85.9 | Confident | 81.4 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 24% | 0.235 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 177.7 | -168.6 | 40.4 | 0 | 0 | 0 | 111.8 | Y400 E401 Q402 R407 L408 | Y400-N404 WeakPolarHBondContact O-CB 3.5Å; Y400-N404 PolarHBondContact O-N 3.26Å; E401-N404 PolarHBondContact O-N 2.8Å; Q402-N404 VanDerWaalsContact C-N 3.32Å; Q402-N404 PolarHBondContact O-N 3.24Å; N404-R407 WeakPolarHBondContact O-CB 3.3Å; N404-R407 PolarHBondContact O-N 2.93Å; N404-R407 PolarHBondContact OD1-NE 2.8Å; N404-R407 VanDerWaalsContact OD1-NE 3.08Å; N404-R407 PolarHBondContact OD1-NH2 2.98Å; N404-L408 WeakPolarHBondContact O-CG 3.23Å; N404-L408 PolarHBondContact O-N 2.78Å |
| 405 | S | 86.4 | Confident | 80.6 | Confident | 40 Ų | 40 | 70 Ų | 70 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 172.8 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | E401 Q402 L403 R407 L408 K409 | E401-S405 WeakPolarHBondContact O-CB 3.44Å; E401-S405 PolarHBondContact O-N 3.29Å; Q402-S405 WeakPolarHBondContact O-CB 3.34Å; Q402-S405 PolarHBondContact O-N 3.38Å; L403-S405 VanDerWaalsContact C-N 3.35Å; S405-R407 VanDerWaalsContact C-N 3.34Å; S405-R407 PolarHBondContact O-N 2.94Å; S405-L408 PolarHBondContact O-N 3.2Å; S405-K409 WeakPolarHBondContact O-CB 3.43Å; S405-K409 VanDerWaalsContact O-CG 3.31Å; S405-K409 WeakPolarHBondContact O-CG 3.45Å; S405-K409 PolarHBondContact O-N 3.33Å |
| 406 | W | 85.3 | Confident | 79.9 | Confident | 6 Ų | 6 | 74 Ų | 74 | 2% | 0.023 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 175.8 | -64.9 | -21.3 | 0 | 0 | 0 | 112.6 | I398 Q402 L403 K409 M410 I422 Q425 L426 L474 | I398-W406 HydrophobicContact CG1-CH2 4.22Å; I398-W406 HydrophobicContact CG2-CH2 4.38Å; I398-W406 HydrophobicContact CG2-CZ3 4.28Å; Q402-W406 HydrophobicContact CG-CD2 4.27Å; Q402-W406 HydrophobicContact CG-CH2 4.06Å; Q402-W406 HydrophobicContact CG-CZ2 3.42Å; Q402-W406 VanDerWaalsContact CG-CZ2 3.42Å; Q402-W406 VanDerWaalsContact NE2-NE1 3.2Å; Q402-W406 PolarHBondContact O-N 3.31Å; L403-W406 HydrophobicContact CD2-CE3 3.83Å; L403-W406 HydrophobicContact CD2-CZ3 3.81Å; L403-W406 PolarHBondContact O-N 3.21Å; W406-K409 PolarHBondContact O-N 3.36Å; W406-M410 WeakPolarHBondContact O-CB 3.35Å; W406-M410 WeakPolarHBondContact O-CG 3.22Å; W406-M410 PolarHBondContact O-N 3.46Å; W406-I422 HydrophobicContact CB-CD1 3.85Å; W406-I422 HydrophobicContact CB-CG1 4.24Å; W406-I422 HydrophobicContact CD2-CG1 4.07Å; W406-I422 HydrophobicContact CD2-CG2 4.1Å; W406-I422 HydrophobicContact CE3-CG2 4.04Å; W406-I422 HydrophobicContact CG-CD1 3.91Å; W406-I422 HydrophobicContact CG-CG1 3.76Å; W406-I422 HydrophobicContact CG-CG2 4.43Å; W406-Q425 HydrophobicContact CH2-CB 4.26Å; W406-Q425 HydrophobicContact CZ2-CB 4.11Å; W406-L426 HydrophobicContact CH2-CD2 4.43Å; W406-L426 HydrophobicContact CZ3-CD2 3.84Å; W406-L426 HydrophobicContact CZ3-CG 4.15Å; W406-L474 HydrophobicContact CB-CD1 4.18Å; W406-L474 HydrophobicContact CB-CD2 4.05Å |
| 407 | R | 84.4 | Confident | 79.2 | Confident | 61 Ų | 61 | 76.2 Ų | 76.2 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 175 | -175.5 | -170.9 | 65.5 | 80 | -0.2 | 110.7 | L403 N404 S405 M410 M411 A470 F471 L474 | L403-R407 WeakPolarHBondContact O-CB 3.36Å; L403-R407 PolarHBondContact O-N 3.03Å; N404-R407 WeakPolarHBondContact O-CB 3.3Å; N404-R407 PolarHBondContact O-N 2.93Å; N404-R407 PolarHBondContact OD1-NE 2.8Å; N404-R407 VanDerWaalsContact OD1-NE 3.08Å; N404-R407 PolarHBondContact OD1-NH2 2.98Å; S405-R407 VanDerWaalsContact C-N 3.34Å; S405-R407 PolarHBondContact O-N 2.94Å; R407-M410 PolarHBondContact O-N 3.43Å; R407-M411 HydrophobicContact CG-SD 4.41Å; R407-M411 PolarHBondContact NH1-SD 3.42Å; R407-M411 VanDerWaalsContact O-CG 3.29Å; R407-M411 WeakPolarHBondContact O-CG 3.17Å; R407-M411 PolarHBondContact O-N 3.2Å; R407-A470 WeakPolarHBondContact CD-O 3.4Å; R407-F471 HydrophobicContact CB-CD1 4.29Å; R407-F471 HydrophobicContact CB-CE1 4.09Å; R407-F471 HydrophobicContact CG-CD1 4.43Å; R407-F471 HydrophobicContact CG-CE1 4.4Å; R407-L474 HydrophobicContact CB-CD1 3.99Å |
| 408 | L | 83.9 | Confident | 78.7 | Confident | 65 Ų | 65 | 76.6 Ų | 76.6 | 34% | 0.34 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.6 | -68.4 | 169.6 | 0 | 0 | 0 | 111.4 | N404 S405 M410 M411 Y412 | N404-L408 WeakPolarHBondContact O-CG 3.23Å; N404-L408 PolarHBondContact O-N 2.78Å; S405-L408 PolarHBondContact O-N 3.2Å; L408-M410 PolarHBondContact O-N 3.4Å; L408-M411 PolarHBondContact O-N 3.27Å; L408-M411 VanDerWaalsContact O-N 3.16Å; L408-Y412 HydrophobicContact CD2-CE2 4.01Å; L408-Y412 WeakPolarHBondContact O-CD2 3.44Å; L408-Y412 PolarHBondContact O-N 3.39Å |
| 409 | K | 82.4 | Confident | 78.2 | Confident | 98 Ų | 98 | 78 Ų | 78 | 43% | 0.426 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.6 | -74.2 | 177.6 | -176.8 | -175.5 | 0 | 112.6 | S405 W406 M411 N413 V418 | S405-K409 WeakPolarHBondContact O-CB 3.43Å; S405-K409 VanDerWaalsContact O-CG 3.31Å; S405-K409 WeakPolarHBondContact O-CG 3.45Å; S405-K409 PolarHBondContact O-N 3.33Å; W406-K409 PolarHBondContact O-N 3.36Å; K409-M411 VanDerWaalsContact C-N 3.31Å; K409-M411 PolarHBondContact O-N 3.16Å; K409-N413 WeakPolarHBondContact O-CA 3.41Å; K409-N413 WeakPolarHBondContact O-CB 3.35Å; K409-N413 PolarHBondContact O-N 3.34Å; K409-V418 HydrophobicContact CB-CG1 4.14Å; K409-V418 HydrophobicContact CD-CG1 4.24Å |
| 410 | M | 75.6 | Confident | 77.8 | Confident | 69 Ų | 69 | 79.6 Ų | 79.6 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.9 | -29.9 | 175.6 | -76 | -121.1 | -172 | 0 | 0 | 113 | W406 R407 L408 A419 I422 L474 Q477 | W406-M410 WeakPolarHBondContact O-CB 3.35Å; W406-M410 WeakPolarHBondContact O-CG 3.22Å; W406-M410 PolarHBondContact O-N 3.46Å; R407-M410 PolarHBondContact O-N 3.43Å; L408-M410 PolarHBondContact O-N 3.4Å; M410-A419 HydrophobicContact CE-CB 4.45Å; M410-I422 HydrophobicContact CE-CD1 3.72Å; M410-I422 HydrophobicContact CE-CG2 4.38Å; M410-I422 HydrophobicContact CG-CD1 4.06Å; M410-L474 HydrophobicContact CE-CD2 4.21Å; M410-Q477 HydrophobicContact CE-CG 4.2Å |
| 411 | M | 73.8 | Confident | 77.5 | Confident | 123 Ų | 123 | 77.7 Ų | 77.7 | 61% | 0.606 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -74 | -37.3 | 177.2 | -73.3 | -179.1 | 72.2 | 0 | 0 | 112.9 | R407 L408 K409 | R407-M411 HydrophobicContact CG-SD 4.41Å; R407-M411 PolarHBondContact NH1-SD 3.42Å; R407-M411 VanDerWaalsContact O-CG 3.29Å; R407-M411 WeakPolarHBondContact O-CG 3.17Å; R407-M411 PolarHBondContact O-N 3.2Å; L408-M411 PolarHBondContact O-N 3.27Å; L408-M411 VanDerWaalsContact O-N 3.16Å; K409-M411 VanDerWaalsContact C-N 3.31Å; K409-M411 PolarHBondContact O-N 3.16Å |
| 412 | Y | 69.6 | Low | 77.4 | Confident | 188 Ų | 188 | 70.6 Ų | 70.6 | 74% | 0.737 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -102.4 | -16.2 | -173.6 | -66.4 | -68.5 | 0 | 0 | 0 | 114.4 | L408 | L408-Y412 HydrophobicContact CD2-CE2 4.01Å; L408-Y412 WeakPolarHBondContact O-CD2 3.44Å; L408-Y412 PolarHBondContact O-N 3.39Å |
| 413 | N | 63.1 | Low | 77.4 | Confident | 82 Ų | 82 | 69.4 Ų | 69.4 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | trans | -128 | 119.4 | -172.6 | -129.1 | 11.3 | 0 | 0 | 0 | 111 | K409 D415 | K409-N413 WeakPolarHBondContact O-CA 3.41Å; K409-N413 WeakPolarHBondContact O-CB 3.35Å; K409-N413 PolarHBondContact O-N 3.34Å; N413-D415 VanDerWaalsContact C-N 3.34Å | ||
| 414 | T | 60.8 | Low | 77.3 | Confident | 151 Ų | 151 | 72 Ų | 72 | 93% | 0.926 | 39% | 0.387 | S | S | * | . | trans | -90 | 7.1 | 176.9 | 25.2 | 0 | 0 | 0 | 0 | 113.7 | S416 | T414-S416 PolarHBondContact O-N 3.35Š| ||
| 415 | D | 67.4 | Low | 77.2 | Confident | 100 Ų | 100 | 71.2 Ų | 71.2 | 54% | 0.535 | 38% | 0.383 | S | S | . | . | trans | -67.2 | 125 | -178 | -106.2 | -23 | 0 | 0 | 0 | 112.3 | N413 A417 V418 | N413-D415 VanDerWaalsContact C-N 3.34Å; D415-A417 PolarHBondContact O-N 3.49Å; D415-V418 HydrophobicContact CB-CG2 4.26Å; D415-V418 PolarHBondContact O-N 3.43Å | ||
| 416 | S | 71.4 | Confident | 77.3 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 61% | 0.608 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.5 | -27.4 | 178.8 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | T414 A419 N420 | T414-S416 PolarHBondContact O-N 3.35Å; S416-A419 PolarHBondContact O-N 3.34Å; S416-N420 VanDerWaalsContact O-CG 3.29Å; S416-N420 PolarHBondContact O-N 3.17Å; S416-N420 PolarHBondContact O-ND2 3.38Å |
| 417 | A | 71 | Confident | 77.5 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D415 A419 N420 D421 | D415-A417 PolarHBondContact O-N 3.49Å; A417-A419 VanDerWaalsContact C-N 3.34Å; A417-A419 PolarHBondContact O-N 2.98Å; A417-N420 PolarHBondContact O-N 3.1Å; A417-D421 PolarHBondContact O-N 3.21Å |
| 418 | V | 74.9 | Confident | 77.8 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.7 | -38.1 | -179.8 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | K409 D415 D421 I422 | K409-V418 HydrophobicContact CB-CG1 4.14Å; K409-V418 HydrophobicContact CD-CG1 4.24Å; D415-V418 HydrophobicContact CB-CG2 4.26Å; D415-V418 PolarHBondContact O-N 3.43Å; V418-D421 PolarHBondContact O-N 3.39Å; V418-I422 HydrophobicContact CG1-CD1 4.21Å; V418-I422 VanDerWaalsContact O-CG1 3.31Å; V418-I422 WeakPolarHBondContact O-CG1 3.42Å; V418-I422 PolarHBondContact O-N 3.19Å; V418-I422 VanDerWaalsContact O-N 3.16Å |
| 419 | A | 76.5 | Confident | 78.2 | Confident | 32 Ų | 32 | 66.1 Ų | 66.1 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M410 S416 A417 I422 V423 | M410-A419 HydrophobicContact CE-CB 4.45Å; S416-A419 PolarHBondContact O-N 3.34Å; A417-A419 VanDerWaalsContact C-N 3.34Å; A417-A419 PolarHBondContact O-N 2.98Å; A419-I422 PolarHBondContact O-N 3.15Å; A419-V423 WeakPolarHBondContact O-CG2 3.45Å; A419-V423 PolarHBondContact O-N 3.27Å |
| 420 | N | 80.1 | Confident | 78.6 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.2 | -73.3 | -16.6 | 0 | 0 | 0 | 112.2 | S416 A417 I422 V423 I424 | S416-N420 VanDerWaalsContact O-CG 3.29Å; S416-N420 PolarHBondContact O-N 3.17Å; S416-N420 PolarHBondContact O-ND2 3.38Å; A417-N420 PolarHBondContact O-N 3.1Å; N420-I422 VanDerWaalsContact C-N 3.32Å; N420-I422 PolarHBondContact O-N 3.39Å; N420-V423 PolarHBondContact O-N 2.88Å; N420-I424 VanDerWaalsContact O-CG1 3.3Å; N420-I424 WeakPolarHBondContact O-CG1 3.5Å; N420-I424 PolarHBondContact O-N 3.19Å |
| 421 | D | 77.8 | Confident | 79.4 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 176.6 | -73 | -17.8 | 0 | 0 | 0 | 112.2 | A417 V418 I424 Q425 | A417-D421 PolarHBondContact O-N 3.21Å; V418-D421 PolarHBondContact O-N 3.39Å; D421-I424 PolarHBondContact O-N 3.42Å; D421-Q425 WeakPolarHBondContact O-CG 3.42Å; D421-Q425 PolarHBondContact O-N 3Å; D421-Q425 VanDerWaalsContact O-N 3.07Å |
| 422 | I | 83.5 | Confident | 80.3 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 176.1 | -66.8 | 164.6 | 0 | 0 | 0 | 110.3 | W406 M410 V418 A419 N420 I424 Q425 L426 L474 | W406-I422 HydrophobicContact CB-CD1 3.85Å; W406-I422 HydrophobicContact CB-CG1 4.24Å; W406-I422 HydrophobicContact CD2-CG1 4.07Å; W406-I422 HydrophobicContact CD2-CG2 4.1Å; W406-I422 HydrophobicContact CE3-CG2 4.04Å; W406-I422 HydrophobicContact CG-CD1 3.91Å; W406-I422 HydrophobicContact CG-CG1 3.76Å; W406-I422 HydrophobicContact CG-CG2 4.43Å; M410-I422 HydrophobicContact CE-CD1 3.72Å; M410-I422 HydrophobicContact CE-CG2 4.38Å; M410-I422 HydrophobicContact CG-CD1 4.06Å; V418-I422 HydrophobicContact CG1-CD1 4.21Å; V418-I422 VanDerWaalsContact O-CG1 3.31Å; V418-I422 WeakPolarHBondContact O-CG1 3.42Å; V418-I422 PolarHBondContact O-N 3.19Å; V418-I422 VanDerWaalsContact O-N 3.16Å; A419-I422 PolarHBondContact O-N 3.15Å; N420-I422 VanDerWaalsContact C-N 3.32Å; N420-I422 PolarHBondContact O-N 3.39Å; I422-I424 PolarHBondContact O-N 3.3Å; I422-Q425 PolarHBondContact O-N 3.22Å; I422-L426 HydrophobicContact CG2-CD1 3.7Å; I422-L426 HydrophobicContact CG2-CG 4.26Å; I422-L426 WeakPolarHBondContact O-CB 3.36Å; I422-L426 WeakPolarHBondContact O-CG 3.04Å; I422-L426 PolarHBondContact O-N 2.8Å; I422-L474 HydrophobicContact CG2-CD2 4.1Å |
| 423 | V | 85.1 | Confident | 81.5 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 178 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | A419 N420 Q425 L426 S427 L485 | A419-V423 WeakPolarHBondContact O-CG2 3.45Å; A419-V423 PolarHBondContact O-N 3.27Å; N420-V423 PolarHBondContact O-N 2.88Å; V423-Q425 VanDerWaalsContact C-N 3.34Å; V423-Q425 PolarHBondContact O-N 3.24Å; V423-L426 PolarHBondContact O-N 2.93Å; V423-S427 VanDerWaalsContact O-CB 3.29Å; V423-S427 WeakPolarHBondContact O-CB 3Å; V423-S427 PolarHBondContact O-N 2.99Å; V423-S427 PolarHBondContact O-OG 3.17Å; V423-L485 HydrophobicContact CG1-CD1 3.81Å |
| 424 | I | 83.8 | Confident | 82.8 | Confident | 57 Ų | 57 | 40 Ų | 40 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 176.4 | -69.1 | 165.4 | 0 | 0 | 0 | 110.1 | D154 N420 D421 I422 S427 S428 | D154-I424 HydrophobicContact CB-CG2 3.84Å; N420-I424 VanDerWaalsContact O-CG1 3.3Å; N420-I424 WeakPolarHBondContact O-CG1 3.5Å; N420-I424 PolarHBondContact O-N 3.19Å; D421-I424 PolarHBondContact O-N 3.42Å; I422-I424 PolarHBondContact O-N 3.3Å; I424-S427 PolarHBondContact O-N 3.22Å; I424-S427 PolarHBondContact O-OG 3.24Å; I424-S428 PolarHBondContact O-N 3.22Å |
| 425 | Q | 85 | Confident | 84.3 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 179.6 | -70.7 | 173.9 | 10.4 | 0 | 0 | 112.6 | A396 W406 D421 I422 V423 S427 S428 | A396-Q425 HydrophobicContact CB-CG 4.24Å; W406-Q425 HydrophobicContact CH2-CB 4.26Å; W406-Q425 HydrophobicContact CZ2-CB 4.11Å; D421-Q425 WeakPolarHBondContact O-CG 3.42Å; D421-Q425 PolarHBondContact O-N 3Å; D421-Q425 VanDerWaalsContact O-N 3.07Å; I422-Q425 PolarHBondContact O-N 3.22Å; V423-Q425 VanDerWaalsContact C-N 3.34Å; V423-Q425 PolarHBondContact O-N 3.24Å; Q425-S427 VanDerWaalsContact C-N 3.29Å; Q425-S427 PolarHBondContact O-N 3.32Å; Q425-S428 PolarHBondContact O-N 2.76Å |
| 426 | L | 87.3 | Confident | 85.4 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -25.9 | 176.1 | -72.1 | 172 | 0 | 0 | 0 | 113.1 | I398 W406 I422 V423 S428 W432 A478 | I398-L426 HydrophobicContact CD1-CD2 4.36Å; W406-L426 HydrophobicContact CH2-CD2 4.43Å; W406-L426 HydrophobicContact CZ3-CD2 3.84Å; W406-L426 HydrophobicContact CZ3-CG 4.15Å; I422-L426 HydrophobicContact CG2-CD1 3.7Å; I422-L426 HydrophobicContact CG2-CG 4.26Å; I422-L426 WeakPolarHBondContact O-CB 3.36Å; I422-L426 WeakPolarHBondContact O-CG 3.04Å; I422-L426 PolarHBondContact O-N 2.8Å; V423-L426 PolarHBondContact O-N 2.93Å; L426-S428 VanDerWaalsContact C-N 3.34Å; L426-W432 HydrophobicContact CD2-CZ2 3.82Å; L426-W432 PolarHBondContact O-NE1 3.16Å; L426-A478 HydrophobicContact CD1-CB 4.21Å; L426-A478 HydrophobicContact CD2-CB 4.47Å |
| 427 | S | 89.1 | Confident | 86.4 | Confident | 20 Ų | 20 | 26.5 Ų | 26.5 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -81.2 | -12.8 | 177.5 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | V423 I424 Q425 T429 S481 L486 | V423-S427 VanDerWaalsContact O-CB 3.29Å; V423-S427 WeakPolarHBondContact O-CB 3Å; V423-S427 PolarHBondContact O-N 2.99Å; V423-S427 PolarHBondContact O-OG 3.17Å; I424-S427 PolarHBondContact O-N 3.22Å; I424-S427 PolarHBondContact O-OG 3.24Å; Q425-S427 VanDerWaalsContact C-N 3.29Å; Q425-S427 PolarHBondContact O-N 3.32Å; S427-T429 PolarHBondContact O-N 3.29Å; S427-S481 WeakPolarHBondContact CA-OG 3.16Å; S427-S481 WeakPolarHBondContact CB-OG 3.21Å; S427-S481 PolarHBondContact N-OG 2.94Å; S427-L486 WeakPolarHBondContact O-CD1 3.18Å |
| 428 | S | 91.4 | Very high | 87.2 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | trans | -82.2 | 117.5 | -177.3 | 173 | 0 | 0 | 0 | 0 | 113.2 | D154 I424 Q425 L426 A430 C431 W432 | D154-S428 VanDerWaalsContact O-CB 3.28Å; D154-S428 WeakPolarHBondContact O-CB 3.5Å; D154-S428 PolarHBondContact O-OG 3.25Å; I424-S428 PolarHBondContact O-N 3.22Å; Q425-S428 PolarHBondContact O-N 2.76Å; L426-S428 VanDerWaalsContact C-N 3.34Å; S428-A430 VanDerWaalsContact C-N 3.29Å; S428-A430 PolarHBondContact O-N 3.3Å; S428-A430 PolarHBondContact OG-N 2.95Å; S428-C431 PolarHBondContact O-N 3.47Å; S428-C431 PolarHBondContact OG-N 3.22Å; S428-W432 PolarHBondContact O-N 3.41Å | ||
| 429 | T | 92.1 | Very high | 87.6 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 18% | 0.184 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -33.3 | 172.4 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | G188 S427 N433 L486 L490 I502 | G188-T429 WeakPolarHBondContact CA-OG1 3.24Å; S427-T429 PolarHBondContact O-N 3.29Å; T429-N433 WeakPolarHBondContact O-CB 3.47Å; T429-N433 PolarHBondContact O-N 2.76Å; T429-N433 PolarHBondContact O-ND2 3.16Å; T429-L486 HydrophobicContact CG2-CD1 4.29Å; T429-L486 HydrophobicContact CG2-CD2 4.28Å; T429-L486 HydrophobicContact CG2-CG 3.99Å; T429-L490 HydrophobicContact CG2-CD2 4.08Å; T429-I502 HydrophobicContact CG2-CG1 4.01Å |
| 430 | A | 92.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S428 N433 A434 | S428-A430 VanDerWaalsContact C-N 3.29Å; S428-A430 PolarHBondContact O-N 3.3Å; S428-A430 PolarHBondContact OG-N 2.95Å; A430-N433 PolarHBondContact O-N 2.89Å; A430-A434 VanDerWaalsContact O-CB 3.29Å; A430-A434 WeakPolarHBondContact O-CB 3.41Å; A430-A434 PolarHBondContact O-N 2.61Å |
| 431 | C | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 176 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | R153 I398 S428 N433 A434 S435 | R153-C431 PolarHBondContact O-SG 3.24Å; I398-C431 HydrophobicContact CD1-CB 4.41Å; I398-C431 HydrophobicContact CG1-CB 4.44Å; S428-C431 PolarHBondContact O-N 3.47Å; S428-C431 PolarHBondContact OG-N 3.22Å; C431-N433 PolarHBondContact O-N 3.2Å; C431-A434 PolarHBondContact O-N 3.17Å; C431-S435 PolarHBondContact O-N 3.35Å; C431-S435 PolarHBondContact O-OG 2.92Å |
| 432 | W | 92.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -48.5 | 174.4 | -74.6 | 103 | 0 | 0 | 0 | 111.2 | I398 L426 S428 A434 S435 F436 L462 F463 F482 I502 I505 | I398-W432 HydrophobicContact CD1-CD2 3.61Å; I398-W432 HydrophobicContact CD1-CE3 4.16Å; I398-W432 HydrophobicContact CD1-CG 4.01Å; I398-W432 HydrophobicContact CD1-CH2 4.09Å; I398-W432 HydrophobicContact CD1-CZ2 3.6Å; I398-W432 HydrophobicContact CD1-CZ3 4.36Å; I398-W432 HydrophobicContact CG2-CH2 4.35Å; L426-W432 HydrophobicContact CD2-CZ2 3.82Å; L426-W432 PolarHBondContact O-NE1 3.16Å; S428-W432 PolarHBondContact O-N 3.41Å; W432-A434 VanDerWaalsContact C-N 3.28Å; W432-A434 PolarHBondContact O-N 3.27Å; W432-S435 PolarHBondContact O-N 3.12Å; W432-S435 VanDerWaalsContact O-N 3.13Å; W432-F436 AromaticContact CE3-CE2 3.63Å; W432-F436 HydrophobicContact CE3-CE2 3.63Å; W432-F436 HydrophobicContact CE3-CZ 4.01Å; W432-F436 HydrophobicContact CZ3-CE2 4.11Å; W432-F436 AromaticContact CZ3-CZ 4Å; W432-F436 HydrophobicContact CZ3-CZ 4Å; W432-F436 WeakPolarHBondContact O-CD2 3.47Å; W432-L462 HydrophobicContact CZ3-CD2 4.28Å; W432-F463 HydrophobicContact CE3-CZ 4.48Å; W432-F463 AromaticContact CH2-CE1 3.9Å; W432-F463 HydrophobicContact CH2-CE1 3.9Å; W432-F463 HydrophobicContact CH2-CZ 4.4Å; W432-F463 AromaticContact CZ3-CE1 3.75Å; W432-F463 HydrophobicContact CZ3-CE1 3.75Å; W432-F463 AromaticContact CZ3-CZ 3.87Å; W432-F463 HydrophobicContact CZ3-CZ 3.87Å; W432-F482 AromaticContact CE2-CE1 3.86Å; W432-F482 AromaticContact CE2-CZ 3.87Å; W432-F482 HydrophobicContact CH2-CZ 4.09Å; W432-F482 AromaticContact CZ2-CE1 3.84Å; W432-F482 HydrophobicContact CZ2-CE1 3.84Å; W432-F482 AromaticContact CZ2-CZ 3.52Å; W432-F482 HydrophobicContact CZ2-CZ 3.52Å; W432-F482 AromaticContact NE1-CE1 3.69Å; W432-I502 HydrophobicContact CB-CD1 3.64Å; W432-I502 HydrophobicContact CG-CD1 4.03Å; W432-I505 HydrophobicContact CB-CD1 4.42Å; W432-I505 HydrophobicContact CE3-CG2 3.92Å |
| 433 | N | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -31.3 | 179.3 | -71.5 | -18.7 | 0 | 0 | 0 | 113.4 | G188 P190 T429 A430 C431 L437 E498 A499 R501 I502 | G188-N433 PolarHBondContact O-ND2 3.13Å; P190-N433 HydrophobicContact CB-CB 4.47Å; P190-N433 HydrophobicContact CG-CB 4.23Å; T429-N433 WeakPolarHBondContact O-CB 3.47Å; T429-N433 PolarHBondContact O-N 2.76Å; T429-N433 PolarHBondContact O-ND2 3.16Å; A430-N433 PolarHBondContact O-N 2.89Å; C431-N433 PolarHBondContact O-N 3.2Å; N433-L437 VanDerWaalsContact O-CD2 3.27Å; N433-L437 WeakPolarHBondContact O-CD2 3.31Å; N433-E498 PolarHBondContact ND2-O 3.18Å; N433-A499 PolarHBondContact ND2-O 3.4Å; N433-R501 WeakPolarHBondContact OD1-CB 3.3Å; N433-I502 WeakPolarHBondContact OD1-CA 3Å; N433-I502 PolarHBondContact OD1-N 2.62Å |
| 434 | A | 91.5 | Very high | 88 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.1 | -23.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P190 L206 V391 L395 A430 C431 W432 | P190-A434 HydrophobicContact CB-CB 3.74Å; L206-A434 HydrophobicContact CD1-CB 3.62Å; V391-A434 HydrophobicContact CG1-CB 4.41Å; L395-A434 HydrophobicContact CD1-CB 3.82Å; A430-A434 VanDerWaalsContact O-CB 3.29Å; A430-A434 WeakPolarHBondContact O-CB 3.41Å; A430-A434 PolarHBondContact O-N 2.61Å; C431-A434 PolarHBondContact O-N 3.17Å; W432-A434 VanDerWaalsContact C-N 3.28Å; W432-A434 PolarHBondContact O-N 3.27Å |
| 435 | S | 91.8 | Very high | 88.2 | Confident | 32 Ų | 32 | 29.8 Ų | 29.8 | 22% | 0.224 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -80.3 | -27.4 | -168.6 | -58.4 | 0 | 0 | 0 | 0 | 113.8 | I398 C431 W432 | I398-S435 PolarHBondContact N-OG 3.46Å; I398-S435 WeakPolarHBondContact O-CB 3.3Å; C431-S435 PolarHBondContact O-N 3.35Å; C431-S435 PolarHBondContact O-OG 2.92Å; W432-S435 PolarHBondContact O-N 3.12Å; W432-S435 VanDerWaalsContact O-N 3.13Å |
| 436 | F | 91.8 | Very high | 88.3 | Confident | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 30.5 | -173 | -46.3 | -81 | 0 | 0 | 0 | 112.6 | W432 D438 I454 D455 V459 L462 I505 | W432-F436 AromaticContact CE3-CE2 3.63Å; W432-F436 HydrophobicContact CE3-CE2 3.63Å; W432-F436 HydrophobicContact CE3-CZ 4.01Å; W432-F436 HydrophobicContact CZ3-CE2 4.11Å; W432-F436 AromaticContact CZ3-CZ 4Å; W432-F436 HydrophobicContact CZ3-CZ 4Å; W432-F436 WeakPolarHBondContact O-CD2 3.47Å; F436-D438 PolarHBondContact O-N 3Å; F436-I454 CarbonylContact O-C 3.34Å; F436-I454 WeakPolarHBondContact O-CA 3.44Å; F436-I454 WeakPolarHBondContact O-CB 3.47Å; F436-D455 PolarHBondContact O-N 3.34Å; F436-V459 HydrophobicContact CB-CG2 3.67Å; F436-V459 HydrophobicContact CD1-CB 4.17Å; F436-V459 HydrophobicContact CD1-CG2 3.5Å; F436-V459 HydrophobicContact CD2-CG2 3.79Å; F436-V459 HydrophobicContact CE1-CB 4.35Å; F436-V459 HydrophobicContact CE1-CG2 4.04Å; F436-V459 HydrophobicContact CE2-CG2 4.34Å; F436-V459 HydrophobicContact CG-CB 4.44Å; F436-V459 HydrophobicContact CG-CG2 3.34Å; F436-V459 HydrophobicContact CZ-CG2 4.42Å; F436-L462 HydrophobicContact CE1-CB 3.92Å; F436-L462 HydrophobicContact CE1-CD2 3.7Å; F436-L462 HydrophobicContact CE1-CG 4.39Å; F436-L462 HydrophobicContact CZ-CB 4.4Å; F436-L462 HydrophobicContact CZ-CD2 3.43Å; F436-L462 VanDerWaalsContact CZ-CD2 3.43Å; F436-I505 HydrophobicContact CD2-CD1 3.86Å; F436-I505 HydrophobicContact CD2-CG1 4.25Å; F436-I505 HydrophobicContact CD2-CG2 4.43Å; F436-I505 HydrophobicContact CE2-CD1 4.44Å; F436-I505 HydrophobicContact CE2-CG2 4.16Å |
| 437 | L | 90.4 | Very high | 88.4 | Confident | 17 Ų | 17 | 33 Ų | 33 | 9% | 0.089 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -63.2 | 130.7 | 173.8 | -61.7 | 178.4 | 0 | 0 | 0 | 109.3 | L206 N433 Q439 H444 | L206-L437 HydrophobicContact CB-CD1 3.59Å; L206-L437 HydrophobicContact CD1-CD1 3.87Å; L206-L437 HydrophobicContact CG-CD1 4.37Å; N433-L437 VanDerWaalsContact O-CD2 3.27Å; N433-L437 WeakPolarHBondContact O-CD2 3.31Å; L437-Q439 PolarHBondContact O-N 3.23Å; L437-Q439 VanDerWaalsContact O-N 3.17Å; L437-H444 HydrophobicContact CB-CB 4.02Å; L437-H444 HydrophobicContact CD2-CB 4.35Å |
| 438 | D | 88.4 | Confident | 88.3 | Confident | 31 Ų | 31 | 34.4 Ų | 34.4 | 17% | 0.166 | 19% | 0.186 | C | C | . | . | trans | -74.1 | 109.7 | 177.3 | -177.1 | 8.1 | 0 | 0 | 0 | 110.1 | F436 S440 T443 H444 G453 D455 | F436-D438 PolarHBondContact O-N 3Å; D438-S440 WeakPolarHBondContact OD1-CB 3.48Å; D438-S440 PolarHBondContact OD1-N 3.48Å; D438-S440 PolarHBondContact OD1-OG 3.26Å; D438-S440 PolarHBondContact OD2-OG 3.02Å; D438-T443 WeakPolarHBondContact CB-OG1 3.37Å; D438-T443 PolarHBondContact O-OG1 3.21Å; D438-T443 PolarHBondContact OD2-OG1 3.27Å; D438-H444 WeakPolarHBondContact O-CB 3.12Å; D438-H444 PolarHBondContact O-N 3.5Å; D438-H444 VanDerWaalsContact O-N 3.14Å; D438-H444 PolarHBondContact O-ND1 3.21Å; D438-G453 PolarHBondContact N-O 3.1Å; D438-D455 HydrophobicContact CB-CB 4.29Å | ||
| 439 | Q | 83.6 | Confident | 88.1 | Confident | 152 Ų | 152 | 36.8 Ų | 36.8 | 71% | 0.71 | 20% | 0.201 | S | C | * | . | trans | -91.6 | -10 | -179.9 | -62.7 | -176.2 | 4.8 | 0 | 0 | 112.2 | L437 D441 D442 | L437-Q439 PolarHBondContact O-N 3.23Å; L437-Q439 VanDerWaalsContact O-N 3.17Å; Q439-D441 PolarHBondContact O-N 2.8Å; Q439-D441 VanDerWaalsContact O-N 3.11Å; Q439-D442 PolarHBondContact O-N 3.31Å | ||
| 440 | S | 77.3 | Confident | 87.8 | Confident | 79 Ų | 79 | 41.8 Ų | 41.8 | 55% | 0.552 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -69.6 | 108.2 | 177.2 | 70.1 | 0 | 0 | 0 | 0 | 109.1 | D438 D442 T443 | D438-S440 WeakPolarHBondContact OD1-CB 3.48Å; D438-S440 PolarHBondContact OD1-N 3.48Å; D438-S440 PolarHBondContact OD1-OG 3.26Å; D438-S440 PolarHBondContact OD2-OG 3.02Å; S440-D442 PolarHBondContact O-N 3.17Å; S440-T443 WeakPolarHBondContact O-CG2 3Å; S440-T443 PolarHBondContact O-OG1 3.22Å |
| 441 | D | 77 | Confident | 87.5 | Confident | 117 Ų | 117 | 45.4 Ų | 45.4 | 63% | 0.626 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | 61.9 | 31.5 | -173.6 | -169.6 | 48.9 | 0 | 0 | 0 | 115.9 | Q439 T443 K446 | Q439-D441 PolarHBondContact O-N 2.8Å; Q439-D441 VanDerWaalsContact O-N 3.11Å; D441-T443 HydrophobicContact CB-CG2 4.44Å; D441-T443 PolarHBondContact O-N 3.28Å; D441-K446 IonicContact OD2-NZ 2.65Å; D441-K446 PolarHBondContact OD2-NZ 2.8Å |
| 442 | D | 83.4 | Confident | 87.3 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | 54.7 | 27.3 | 176.1 | -77.9 | -28 | 0 | 0 | 0 | 113.4 | K242 K258 Q439 S440 H444 F445 | K242-D442 IonicContact NZ-OD2 2.8Å; K242-D442 PolarHBondContact NZ-OD2 3Å; K258-D442 WeakPolarHBondContact CD-OD2 3.28Å; K258-D442 IonicContact NZ-OD1 3.54Å; K258-D442 PolarHBondContact NZ-OD1 3.23Å; K258-D442 IonicContact NZ-OD2 3.69Å; K258-D442 PolarHBondContact NZ-OD2 3.14Å; Q439-D442 PolarHBondContact O-N 3.31Å; S440-D442 PolarHBondContact O-N 3.17Å; D442-H444 PolarHBondContact O-N 2.85Å; D442-H444 IonicContact OD1-CE1 3.81Å; D442-F445 HydrophobicContact CB-CD2 3.81Å; D442-F445 HydrophobicContact CB-CE2 4.39Å; D442-F445 WeakPolarHBondContact O-CB 3.34Å; D442-F445 PolarHBondContact O-N 2.51Å |
| 443 | T | 85.6 | Confident | 87.1 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 17% | 0.172 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61.9 | -27.9 | -175.7 | 50.9 | 0 | 0 | 0 | 0 | 112 | D438 S440 D441 F445 K446 | D438-T443 WeakPolarHBondContact CB-OG1 3.37Å; D438-T443 PolarHBondContact O-OG1 3.21Å; D438-T443 PolarHBondContact OD2-OG1 3.27Å; S440-T443 WeakPolarHBondContact O-CG2 3Å; S440-T443 PolarHBondContact O-OG1 3.22Å; D441-T443 HydrophobicContact CB-CG2 4.44Å; D441-T443 PolarHBondContact O-N 3.28Å; T443-F445 PolarHBondContact O-N 3.27Å; T443-K446 WeakPolarHBondContact O-CA 3.44Å; T443-K446 WeakPolarHBondContact O-CB 3.49Å; T443-K446 PolarHBondContact O-N 3.08Å |
| 444 | H | 87.9 | Confident | 87 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -55.9 | -33.3 | 171.8 | 70.4 | -75.5 | 0 | 0 | 0 | 112.9 | L206 S207 L437 D438 D442 K446 T447 | L206-H444 PolarHBondContact O-CD2 3.32Å; S207-H444 WeakPolarHBondContact CB-O 3.46Å; L437-H444 HydrophobicContact CB-CB 4.02Å; L437-H444 HydrophobicContact CD2-CB 4.35Å; D438-H444 WeakPolarHBondContact O-CB 3.12Å; D438-H444 PolarHBondContact O-N 3.5Å; D438-H444 VanDerWaalsContact O-N 3.14Å; D438-H444 PolarHBondContact O-ND1 3.21Å; D442-H444 PolarHBondContact O-N 2.85Å; D442-H444 IonicContact OD1-CE1 3.81Å; H444-K446 PolarHBondContact O-N 3.08Å; H444-T447 WeakPolarHBondContact O-CB 3.4Å; H444-T447 PolarHBondContact O-N 3.49Å; H444-T447 PolarHBondContact O-OG1 3.15Å |
| 445 | F | 89.2 | Confident | 86.9 | Confident | 15 Ų | 15 | 49.1 Ų | 49.1 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -68.9 | -19.6 | 173.5 | -70.6 | -79.3 | 0 | 0 | 0 | 113.6 | S207 K242 V244 K258 D442 T443 T447 | S207-F445 VanDerWaalsContact C-CD1 3.49Å; S207-F445 VanDerWaalsContact O-CD1 3.26Å; S207-F445 WeakPolarHBondContact O-CD1 3.13Å; K242-F445 HydrophobicContact CB-CD1 3.97Å; K242-F445 HydrophobicContact CB-CE1 4.24Å; K242-F445 HydrophobicContact CB-CG 4.12Å; K242-F445 HydrophobicContact CD-CD2 4.5Å; K242-F445 HydrophobicContact CG-CB 3.91Å; K242-F445 HydrophobicContact CG-CD1 4.23Å; K242-F445 HydrophobicContact CG-CD2 4.3Å; K242-F445 HydrophobicContact CG-CG 3.91Å; V244-F445 HydrophobicContact CG1-CE1 4.17Å; V244-F445 HydrophobicContact CG1-CZ 3.83Å; K258-F445 HydrophobicContact CD-CE2 4.22Å; D442-F445 HydrophobicContact CB-CD2 3.81Å; D442-F445 HydrophobicContact CB-CE2 4.39Å; D442-F445 WeakPolarHBondContact O-CB 3.34Å; D442-F445 PolarHBondContact O-N 2.51Å; T443-F445 PolarHBondContact O-N 3.27Å; F445-T447 PolarHBondContact O-N 2.99Å |
| 446 | K | 86.8 | Confident | 86.7 | Confident | 96 Ų | 96 | 48.8 Ų | 48.8 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -84.8 | 10.8 | 177.7 | -58.4 | 172.6 | -173.7 | 158.5 | 0 | 112.2 | D441 T443 H444 N448 | D441-K446 IonicContact OD2-NZ 2.65Å; D441-K446 PolarHBondContact OD2-NZ 2.8Å; T443-K446 WeakPolarHBondContact O-CA 3.44Å; T443-K446 WeakPolarHBondContact O-CB 3.49Å; T443-K446 PolarHBondContact O-N 3.08Å; H444-K446 PolarHBondContact O-N 3.08Å; K446-N448 PolarHBondContact O-N 2.94Å; K446-N448 PolarHBondContact O-ND2 3.36Å |
| 447 | T | 88.3 | Confident | 86.6 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | trans | -62.1 | 124 | -173.5 | -64.2 | 0 | 0 | 0 | 0 | 113 | R239 H444 F445 I451 P452 V497 E498 R501 | R239-T447 PolarHBondContact NE-O 3.45Å; R239-T447 PolarHBondContact NH2-O 3Å; H444-T447 WeakPolarHBondContact O-CB 3.4Å; H444-T447 PolarHBondContact O-N 3.49Å; H444-T447 PolarHBondContact O-OG1 3.15Å; F445-T447 PolarHBondContact O-N 2.99Å; T447-I451 WeakPolarHBondContact CA-O 3.31Å; T447-P452 WeakPolarHBondContact CG2-O 3.17Å; T447-P452 PolarHBondContact OG1-O 3Å; T447-V497 HydrophobicContact CG2-CG2 3.99Å; T447-E498 HydrophobicContact CG2-CG 4.09Å; T447-R501 PolarHBondContact OG1-NH2 3.34Å | ||
| 448 | N | 88 | Confident | 86.5 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -154.8 | 176.2 | -176.3 | 69.9 | 66.7 | 0 | 0 | 0 | 110.2 | K446 K450 I451 W544 | K446-N448 PolarHBondContact O-N 2.94Å; K446-N448 PolarHBondContact O-ND2 3.36Å; N448-K450 PolarHBondContact O-N 3.32Å; N448-K450 WeakPolarHBondContact OD1-CA 3.43Å; N448-K450 VanDerWaalsContact OD1-CB 3.28Å; N448-K450 WeakPolarHBondContact OD1-CB 3.46Å; N448-K450 PolarHBondContact OD1-N 3.49Å; N448-I451 PolarHBondContact N-O 3.49Å; N448-I451 CarbonylContact O-C 3.46Å; N448-I451 PolarHBondContact O-N 3.17Å; N448-I451 VanDerWaalsContact O-N 3.12Å; N448-I451 PolarHBondContact OD1-N 2.98Å; N448-W544 PolarHBondContact O-NE1 2.71Å |
| 449 | P | 86.2 | Confident | 86.6 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -55 | -15.3 | 178.4 | -31.4 | 38.5 | 0 | 0 | 0 | 116.8 | V497 V539 N543 W544 | P449-V497 HydrophobicContact CG-CG1 4.09Å; P449-V539 HydrophobicContact CB-CG1 4.14Å; P449-V539 HydrophobicContact CB-CG2 3.9Å; P449-V539 HydrophobicContact CG-CG2 4.45Å; P449-V539 WeakPolarHBondContact O-CG1 3.49Å; P449-N543 WeakPolarHBondContact O-CB 3.29Å; P449-N543 PolarHBondContact O-ND2 2.89Å; P449-W544 PolarHBondContact O-NE1 3.41Å |
| 450 | K | 85.4 | Confident | 86.9 | Confident | 136 Ų | 136 | 48 Ų | 48 | 59% | 0.591 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -100.5 | -33.4 | 175.7 | -56.6 | -175.2 | 177.4 | -174.2 | 0 | 113 | N448 | N448-K450 PolarHBondContact O-N 3.32Å; N448-K450 WeakPolarHBondContact OD1-CA 3.43Å; N448-K450 VanDerWaalsContact OD1-CB 3.28Å; N448-K450 WeakPolarHBondContact OD1-CB 3.46Å; N448-K450 PolarHBondContact OD1-N 3.49Å |
| 451 | I | 87.2 | Confident | 87.5 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | trans | -117.3 | 113.7 | -174.7 | -56 | 174.9 | 0 | 0 | 0 | 109.1 | T447 N448 G453 | T447-I451 WeakPolarHBondContact CA-O 3.31Å; N448-I451 PolarHBondContact N-O 3.49Å; N448-I451 CarbonylContact O-C 3.46Å; N448-I451 PolarHBondContact O-N 3.17Å; N448-I451 VanDerWaalsContact O-N 3.12Å; N448-I451 PolarHBondContact OD1-N 2.98Å; I451-G453 VanDerWaalsContact C-N 3.33Å; I451-G453 PolarHBondContact O-N 2.92Å | ||
| 452 | P | 87.8 | Confident | 88.2 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 17% | 0.169 | 23% | 0.229 | C | C | . | . | trans | -71.9 | -25.9 | -179 | 28 | -33.8 | 0 | 0 | 0 | 113.1 | T447 I454 R501 L504 W544 | T447-P452 WeakPolarHBondContact CG2-O 3.17Å; T447-P452 PolarHBondContact OG1-O 3Å; P452-I454 HydrophobicContact CB-CG1 4.16Å; P452-I454 HydrophobicContact CG-CG1 4.32Å; P452-R501 PolarHBondContact O-NE 3.1Å; P452-R501 PolarHBondContact O-NH2 2.95Å; P452-L504 HydrophobicContact CB-CD1 3.9Å; P452-L504 HydrophobicContact CG-CD1 4.23Å; P452-W544 HydrophobicContact CB-CD2 4Å; P452-W544 HydrophobicContact CB-CE3 4.38Å; P452-W544 HydrophobicContact CB-CG 4.43Å; P452-W544 HydrophobicContact CB-CH2 4.28Å; P452-W544 HydrophobicContact CB-CZ2 3.93Å | ||
| 453 | G | 88.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | trans | 69.1 | 34.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | D438 I451 | D438-G453 PolarHBondContact N-O 3.1Å; I451-G453 VanDerWaalsContact C-N 3.33Å; I451-G453 PolarHBondContact O-N 2.92Å | ||
| 454 | I | 90.9 | Very high | 88.7 | Confident | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -123.5 | 148.4 | 177.9 | 63 | 176.9 | 0 | 0 | 0 | 111 | F436 P452 L456 R501 L504 I505 | F436-I454 CarbonylContact O-C 3.34Å; F436-I454 WeakPolarHBondContact O-CA 3.44Å; F436-I454 WeakPolarHBondContact O-CB 3.47Å; P452-I454 HydrophobicContact CB-CG1 4.16Å; P452-I454 HydrophobicContact CG-CG1 4.32Å; I454-L456 HydrophobicContact CD1-CD2 3.69Å; I454-L456 HydrophobicContact CD1-CG 4.29Å; I454-L456 HydrophobicContact CG1-CD2 4.23Å; I454-L456 HydrophobicContact CG1-CG 4.31Å; I454-R501 HydrophobicContact CG2-CB 3.96Å; I454-R501 HydrophobicContact CG2-CG 3.58Å; I454-L504 HydrophobicContact CD1-CB 3.88Å; I454-L504 HydrophobicContact CD1-CD1 3.86Å; I454-I505 HydrophobicContact CD1-CG1 4.48Å |
| 455 | D | 90.3 | Very high | 88.7 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | trans | -93.8 | 99.6 | 172.3 | 177.8 | 6.5 | 0 | 0 | 0 | 110.4 | F436 D438 N457 S458 V459 | F436-D455 PolarHBondContact O-N 3.34Å; D438-D455 HydrophobicContact CB-CB 4.29Å; D455-N457 VanDerWaalsContact C-N 3.28Å; D455-N457 PolarHBondContact O-N 3.37Å; D455-N457 WeakPolarHBondContact OD1-CB 3.32Å; D455-N457 PolarHBondContact OD1-N 3.5Å; D455-S458 PolarHBondContact O-N 3.45Å; D455-S458 PolarHBondContact OD1-N 3.38Å; D455-S458 VanDerWaalsContact OD2-CB 3.26Å; D455-S458 WeakPolarHBondContact OD2-CB 3.41Å; D455-S458 PolarHBondContact OD2-OG 2.88Å; D455-V459 WeakPolarHBondContact O-CG2 3.45Å; D455-V459 PolarHBondContact O-N 3.18Å | ||
| 456 | L | 87.6 | Confident | 88.6 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68 | -24.5 | 178.5 | -68.4 | 171.9 | 0 | 0 | 0 | 113.3 | I454 V459 R460 L504 E508 M548 | I454-L456 HydrophobicContact CD1-CD2 3.69Å; I454-L456 HydrophobicContact CD1-CG 4.29Å; I454-L456 HydrophobicContact CG1-CD2 4.23Å; I454-L456 HydrophobicContact CG1-CG 4.31Å; L456-V459 WeakPolarHBondContact O-CB 3.28Å; L456-V459 PolarHBondContact O-N 3.24Å; L456-R460 VanDerWaalsContact O-CG 3.32Å; L456-R460 WeakPolarHBondContact O-CG 3.3Å; L456-R460 PolarHBondContact O-N 3.25Å; L456-L504 HydrophobicContact CD2-CB 4.49Å; L456-E508 HydrophobicContact CD2-CG 4.47Å; L456-M548 HydrophobicContact CD1-CE 3.6Å; L456-M548 HydrophobicContact CD1-SD 3.4Å; L456-M548 WeakPolarHBondContact CD1-SD 3.3Å |
| 457 | N | 88.9 | Confident | 88.6 | Confident | 96 Ų | 96 | 44.4 Ų | 44.4 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.7 | -38.4 | 176.7 | -67.7 | -34.6 | 0 | 0 | 0 | 110.7 | D455 V459 R460 T461 | D455-N457 VanDerWaalsContact C-N 3.28Å; D455-N457 PolarHBondContact O-N 3.37Å; D455-N457 WeakPolarHBondContact OD1-CB 3.32Å; D455-N457 PolarHBondContact OD1-N 3.5Å; N457-V459 VanDerWaalsContact C-N 3.32Å; N457-V459 PolarHBondContact O-N 3.08Å; N457-R460 PolarHBondContact O-N 3.08Å; N457-R460 PolarHBondContact OD1-NH1 3.31Å; N457-T461 WeakPolarHBondContact O-CB 3.29Å; N457-T461 PolarHBondContact O-N 3.12Å; N457-T461 PolarHBondContact O-OG1 3.12Å |
| 458 | S | 88.5 | Confident | 88.5 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 170.5 | -74.4 | 0 | 0 | 0 | 0 | 112.3 | D455 T461 L462 | D455-S458 PolarHBondContact O-N 3.45Å; D455-S458 PolarHBondContact OD1-N 3.38Å; D455-S458 VanDerWaalsContact OD2-CB 3.26Å; D455-S458 WeakPolarHBondContact OD2-CB 3.41Å; D455-S458 PolarHBondContact OD2-OG 2.88Å; S458-T461 PolarHBondContact O-N 3.35Å; S458-L462 PolarHBondContact O-N 3.29Å |
| 459 | V | 90.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -51.6 | 173.5 | 177.1 | 0 | 0 | 0 | 0 | 111 | F436 D455 L456 N457 T461 L462 F463 I505 E508 | F436-V459 HydrophobicContact CB-CG2 3.67Å; F436-V459 HydrophobicContact CD1-CB 4.17Å; F436-V459 HydrophobicContact CD1-CG2 3.5Å; F436-V459 HydrophobicContact CD2-CG2 3.79Å; F436-V459 HydrophobicContact CE1-CB 4.35Å; F436-V459 HydrophobicContact CE1-CG2 4.04Å; F436-V459 HydrophobicContact CE2-CG2 4.34Å; F436-V459 HydrophobicContact CG-CB 4.44Å; F436-V459 HydrophobicContact CG-CG2 3.34Å; F436-V459 HydrophobicContact CZ-CG2 4.42Å; D455-V459 WeakPolarHBondContact O-CG2 3.45Å; D455-V459 PolarHBondContact O-N 3.18Å; L456-V459 WeakPolarHBondContact O-CB 3.28Å; L456-V459 PolarHBondContact O-N 3.24Å; N457-V459 VanDerWaalsContact C-N 3.32Å; N457-V459 PolarHBondContact O-N 3.08Å; V459-T461 PolarHBondContact O-N 2.88Å; V459-L462 PolarHBondContact O-N 2.77Å; V459-F463 HydrophobicContact CG1-CD2 3.64Å; V459-F463 HydrophobicContact CG1-CE2 3.42Å; V459-F463 VanDerWaalsContact CG1-CE2 3.42Å; V459-F463 HydrophobicContact CG1-CZ 4.47Å; V459-F463 WeakPolarHBondContact O-CD2 3.41Å; V459-F463 PolarHBondContact O-N 3.25Å; V459-I505 HydrophobicContact CG1-CG2 4.19Å; V459-I505 HydrophobicContact CG2-CG1 4.19Å; V459-E508 HydrophobicContact CG1-CB 3.82Å; V459-E508 HydrophobicContact CG1-CG 4.37Å |
| 460 | R | 89.4 | Confident | 88.2 | Confident | 39 Ų | 39 | 53.3 Ų | 53.3 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 179 | -69.9 | 167.3 | -172 | 162.4 | 1 | 111.3 | L456 N457 L462 F463 E464 E508 D549 | L456-R460 VanDerWaalsContact O-CG 3.32Å; L456-R460 WeakPolarHBondContact O-CG 3.3Å; L456-R460 PolarHBondContact O-N 3.25Å; N457-R460 PolarHBondContact O-N 3.08Å; N457-R460 PolarHBondContact OD1-NH1 3.31Å; R460-L462 VanDerWaalsContact C-N 3.32Å; R460-L462 PolarHBondContact O-N 3.03Å; R460-F463 PolarHBondContact O-N 2.85Å; R460-E464 WeakPolarHBondContact O-CG 3.45Å; R460-E464 PolarHBondContact O-N 3.39Å; R460-E508 IonicContact CZ-OE1 3.84Å; R460-E508 VanDerWaalsContact CZ-OE1 3.31Å; R460-E508 IonicContact NE-OE1 3.59Å; R460-E508 PolarHBondContact NE-OE1 2.87Å; R460-E508 IonicContact NE-OE2 3.96Å; R460-E508 PolarHBondContact NE-OE2 2.91Å; R460-E508 IonicContact NH2-OE1 2.94Å; R460-E508 PolarHBondContact NH2-OE1 3.33Å; R460-D549 IonicContact NH1-OD2 2.77Å; R460-D549 IonicContact NH2-OD2 3.44Å |
| 461 | T | 90.2 | Very high | 88.1 | Confident | 83 Ų | 83 | 47.3 Ų | 47.3 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | -180 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | N457 S458 V459 E464 V465 | N457-T461 WeakPolarHBondContact O-CB 3.29Å; N457-T461 PolarHBondContact O-N 3.12Å; N457-T461 PolarHBondContact O-OG1 3.12Å; S458-T461 PolarHBondContact O-N 3.35Å; V459-T461 PolarHBondContact O-N 2.88Å; T461-E464 PolarHBondContact O-N 3.45Å; T461-V465 VanDerWaalsContact O-CG2 3.3Å; T461-V465 WeakPolarHBondContact O-CG2 3.39Å; T461-V465 PolarHBondContact O-N 2.61Å |
| 462 | L | 90.8 | Very high | 87.9 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 178 | -167 | 82.8 | 0 | 0 | 0 | 111.7 | I398 L403 W432 F436 S458 V459 R460 V465 L466 | I398-L462 HydrophobicContact CG2-CD2 4.01Å; L403-L462 HydrophobicContact CD1-CD1 3.62Å; L403-L462 HydrophobicContact CD1-CD2 4.38Å; L403-L462 HydrophobicContact CD1-CG 3.95Å; W432-L462 HydrophobicContact CZ3-CD2 4.28Å; F436-L462 HydrophobicContact CE1-CB 3.92Å; F436-L462 HydrophobicContact CE1-CD2 3.7Å; F436-L462 HydrophobicContact CE1-CG 4.39Å; F436-L462 HydrophobicContact CZ-CB 4.4Å; F436-L462 HydrophobicContact CZ-CD2 3.43Å; F436-L462 VanDerWaalsContact CZ-CD2 3.43Å; S458-L462 PolarHBondContact O-N 3.29Å; V459-L462 PolarHBondContact O-N 2.77Å; R460-L462 VanDerWaalsContact C-N 3.32Å; R460-L462 PolarHBondContact O-N 3.03Å; L462-V465 WeakPolarHBondContact O-CB 3.41Å; L462-V465 PolarHBondContact O-N 3.45Å; L462-L466 PolarHBondContact O-N 3.27Å |
| 463 | F | 90.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.5 | -32.4 | 178.4 | -76.2 | -43.9 | 0 | 0 | 0 | 113.6 | W432 V459 R460 V465 L466 S467 I505 E508 Y509 P510 | W432-F463 HydrophobicContact CE3-CZ 4.48Å; W432-F463 AromaticContact CH2-CE1 3.9Å; W432-F463 HydrophobicContact CH2-CE1 3.9Å; W432-F463 HydrophobicContact CH2-CZ 4.4Å; W432-F463 AromaticContact CZ3-CE1 3.75Å; W432-F463 HydrophobicContact CZ3-CE1 3.75Å; W432-F463 AromaticContact CZ3-CZ 3.87Å; W432-F463 HydrophobicContact CZ3-CZ 3.87Å; V459-F463 HydrophobicContact CG1-CD2 3.64Å; V459-F463 HydrophobicContact CG1-CE2 3.42Å; V459-F463 VanDerWaalsContact CG1-CE2 3.42Å; V459-F463 HydrophobicContact CG1-CZ 4.47Å; V459-F463 WeakPolarHBondContact O-CD2 3.41Å; V459-F463 PolarHBondContact O-N 3.25Å; R460-F463 PolarHBondContact O-N 2.85Å; F463-V465 VanDerWaalsContact C-N 3.34Å; F463-L466 HydrophobicContact CD1-CD2 4.25Å; F463-L466 PolarHBondContact O-N 2.92Å; F463-S467 WeakPolarHBondContact O-CB 3.44Å; F463-S467 PolarHBondContact O-N 3.24Å; F463-S467 PolarHBondContact O-OG 3.47Å; F463-I505 HydrophobicContact CE2-CG2 4.34Å; F463-I505 WeakPolarHBondContact CE2-O 3.42Å; F463-I505 HydrophobicContact CZ-CG2 4.23Å; F463-E508 HydrophobicContact CD2-CB 4.29Å; F463-E508 HydrophobicContact CE2-CB 4.29Å; F463-Y509 AromaticContact CD1-CD2 3.66Å; F463-Y509 HydrophobicContact CD1-CD2 3.66Å; F463-Y509 HydrophobicContact CD1-CE2 4.18Å; F463-Y509 AromaticContact CE1-CD2 3.53Å; F463-Y509 HydrophobicContact CE1-CD2 3.53Å; F463-Y509 HydrophobicContact CE1-CE2 4.16Å; F463-Y509 HydrophobicContact CE1-CG 4.44Å; F463-Y509 HydrophobicContact CG-CD2 4.28Å; F463-Y509 HydrophobicContact CZ-CD2 4.03Å; F463-P510 HydrophobicContact CB-CG 3.85Å |
| 464 | E | 88.5 | Confident | 87.5 | Confident | 128 Ų | 128 | 48.2 Ų | 48.2 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 169.3 | -76.7 | 179.5 | -173.5 | 0 | 0 | 111.3 | R460 T461 S467 K468 | R460-E464 WeakPolarHBondContact O-CG 3.45Å; R460-E464 PolarHBondContact O-N 3.39Å; T461-E464 PolarHBondContact O-N 3.45Å; E464-S467 PolarHBondContact O-N 3.34Å; E464-K468 PolarHBondContact O-N 2.93Å |
| 465 | V | 88.3 | Confident | 87.2 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 173.5 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | Y400 T461 L462 F463 S467 K468 F471 | Y400-V465 HydrophobicContact CD2-CG1 3.79Å; Y400-V465 HydrophobicContact CD2-CG2 4.32Å; Y400-V465 HydrophobicContact CE2-CG1 3.79Å; T461-V465 VanDerWaalsContact O-CG2 3.3Å; T461-V465 WeakPolarHBondContact O-CG2 3.39Å; T461-V465 PolarHBondContact O-N 2.61Å; L462-V465 WeakPolarHBondContact O-CB 3.41Å; L462-V465 PolarHBondContact O-N 3.45Å; F463-V465 VanDerWaalsContact C-N 3.34Å; V465-S467 PolarHBondContact O-N 3.45Å; V465-K468 WeakPolarHBondContact O-CB 3.39Å; V465-K468 PolarHBondContact O-N 3.39Å; V465-K468 VanDerWaalsContact O-N 3.09Å; V465-F471 HydrophobicContact CG1-CD2 4.13Å; V465-F471 HydrophobicContact CG1-CE2 3.71Å; V465-F471 HydrophobicContact CG1-CZ 4.1Å; V465-F471 VanDerWaalsContact O-CD2 3.25Å; V465-F471 WeakPolarHBondContact O-CD2 3.49Å |
| 466 | L | 86.9 | Confident | 87 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -28.3 | -179.6 | -169.2 | 68.3 | 0 | 0 | 0 | 112.2 | L403 L462 F463 K468 F471 L474 L475 A478 Y509 | L403-L466 HydrophobicContact CD2-CD1 4.28Å; L462-L466 PolarHBondContact O-N 3.27Å; F463-L466 HydrophobicContact CD1-CD2 4.25Å; F463-L466 PolarHBondContact O-N 2.92Å; L466-K468 VanDerWaalsContact C-N 3.31Å; L466-F471 HydrophobicContact CD1-CB 4.4Å; L466-L474 HydrophobicContact CD1-CB 4.12Å; L466-L475 HydrophobicContact CD2-CD1 3.79Å; L466-L475 HydrophobicContact CG-CB 4.27Å; L466-L475 HydrophobicContact CG-CD1 3.8Å; L466-A478 HydrophobicContact CD2-CB 4.36Å; L466-Y509 HydrophobicContact CD2-CE2 4.41Å |
| 467 | S | 86.6 | Confident | 86.8 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -8.7 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | F463 E464 V465 | F463-S467 WeakPolarHBondContact O-CB 3.44Å; F463-S467 PolarHBondContact O-N 3.24Å; F463-S467 PolarHBondContact O-OG 3.47Å; E464-S467 PolarHBondContact O-N 3.34Å; V465-S467 PolarHBondContact O-N 3.45Å |
| 468 | K | 87.8 | Confident | 86.7 | Confident | 116 Ų | 116 | 49.3 Ų | 49.3 | 50% | 0.504 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -66.9 | 146 | 175.3 | -67.9 | 176.3 | -178.4 | 176.4 | 0 | 110.5 | E464 V465 L466 A470 F471 | E464-K468 PolarHBondContact O-N 2.93Å; V465-K468 WeakPolarHBondContact O-CB 3.39Å; V465-K468 PolarHBondContact O-N 3.39Å; V465-K468 VanDerWaalsContact O-N 3.09Å; L466-K468 VanDerWaalsContact C-N 3.31Å; K468-A470 PolarHBondContact O-N 2.91Å; K468-F471 HydrophobicContact CB-CD2 4.3Å; K468-F471 PolarHBondContact O-N 3.43Å |
| 469 | P | 83.9 | Confident | 86.6 | Confident | 116 Ų | 116 | 47.6 Ų | 47.6 | 75% | 0.753 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -54.1 | -30.1 | -178.3 | -27.4 | 34.1 | 0 | 0 | 0 | 114.7 | F471 S472 | P469-F471 PolarHBondContact O-N 2.77Å; P469-S472 WeakPolarHBondContact O-CB 3.49Å; P469-S472 PolarHBondContact O-N 3.33Å; P469-S472 PolarHBondContact O-OG 3.27Å |
| 470 | A | 82.7 | Confident | 86.4 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 55% | 0.554 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -64 | -19.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R407 K468 | R407-A470 WeakPolarHBondContact CD-O 3.4Å; K468-A470 PolarHBondContact O-N 2.91Å |
| 471 | F | 84.3 | Confident | 86.4 | Confident | 11 Ų | 11 | 50.4 Ų | 50.4 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -113.1 | 11.3 | -177.8 | -64.3 | -85.9 | 0 | 0 | 0 | 112.9 | Y400 L403 R407 V465 L466 K468 P469 G473 L474 L475 | Y400-F471 HydrophobicContact CE2-CZ 4.43Å; L403-F471 HydrophobicContact CB-CE1 4.18Å; R407-F471 HydrophobicContact CB-CD1 4.29Å; R407-F471 HydrophobicContact CB-CE1 4.09Å; R407-F471 HydrophobicContact CG-CD1 4.43Å; R407-F471 HydrophobicContact CG-CE1 4.4Å; V465-F471 HydrophobicContact CG1-CD2 4.13Å; V465-F471 HydrophobicContact CG1-CE2 3.71Å; V465-F471 HydrophobicContact CG1-CZ 4.1Å; V465-F471 VanDerWaalsContact O-CD2 3.25Å; V465-F471 WeakPolarHBondContact O-CD2 3.49Å; L466-F471 HydrophobicContact CD1-CB 4.4Å; K468-F471 HydrophobicContact CB-CD2 4.3Å; K468-F471 PolarHBondContact O-N 3.43Å; P469-F471 PolarHBondContact O-N 2.77Å; F471-G473 VanDerWaalsContact C-N 3.31Å; F471-G473 PolarHBondContact O-N 3.41Å; F471-L474 HydrophobicContact CD1-CD1 3.97Å; F471-L474 WeakPolarHBondContact O-CA 3.37Å; F471-L474 WeakPolarHBondContact O-CB 3.22Å; F471-L474 PolarHBondContact O-N 2.73Å; F471-L475 PolarHBondContact O-N 3.36Å |
| 472 | S | 83.4 | Confident | 86.3 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 53% | 0.531 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53 | -42 | -176 | 57 | 0 | 0 | 0 | 0 | 114 | P469 L474 L475 E476 | P469-S472 WeakPolarHBondContact O-CB 3.49Å; P469-S472 PolarHBondContact O-N 3.33Å; P469-S472 PolarHBondContact O-OG 3.27Å; S472-L474 VanDerWaalsContact C-N 3.34Å; S472-L474 PolarHBondContact O-N 3.37Å; S472-L475 PolarHBondContact O-N 3.22Å; S472-E476 PolarHBondContact O-N 3.45Å |
| 473 | G | 82 | Confident | 86.2 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F471 Q477 | F471-G473 VanDerWaalsContact C-N 3.31Å; F471-G473 PolarHBondContact O-N 3.41Å; G473-Q477 VanDerWaalsContact O-CG 3.3Å; G473-Q477 WeakPolarHBondContact O-CG 3.26Å; G473-Q477 PolarHBondContact O-N 3.37Å |
| 474 | L | 84.6 | Confident | 86 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74 | -36.1 | 175.5 | -75.5 | 169.9 | 0 | 0 | 0 | 111.9 | W406 R407 M410 I422 L466 F471 S472 E476 Q477 A478 | W406-L474 HydrophobicContact CB-CD1 4.18Å; W406-L474 HydrophobicContact CB-CD2 4.05Å; R407-L474 HydrophobicContact CB-CD1 3.99Å; M410-L474 HydrophobicContact CE-CD2 4.21Å; I422-L474 HydrophobicContact CG2-CD2 4.1Å; L466-L474 HydrophobicContact CD1-CB 4.12Å; F471-L474 HydrophobicContact CD1-CD1 3.97Å; F471-L474 WeakPolarHBondContact O-CA 3.37Å; F471-L474 WeakPolarHBondContact O-CB 3.22Å; F471-L474 PolarHBondContact O-N 2.73Å; S472-L474 VanDerWaalsContact C-N 3.34Å; S472-L474 PolarHBondContact O-N 3.37Å; L474-E476 VanDerWaalsContact C-N 3.35Å; L474-Q477 PolarHBondContact O-N 3.06Å; L474-A478 VanDerWaalsContact O-CB 3.3Å; L474-A478 WeakPolarHBondContact O-CB 3.46Å; L474-A478 PolarHBondContact O-N 3.37Å |
| 475 | L | 85.8 | Confident | 85.9 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 174.5 | -176.3 | 70.5 | 0 | 0 | 0 | 111.7 | L466 F471 S472 A478 S479 Y509 | L466-L475 HydrophobicContact CD2-CD1 3.79Å; L466-L475 HydrophobicContact CG-CB 4.27Å; L466-L475 HydrophobicContact CG-CD1 3.8Å; F471-L475 PolarHBondContact O-N 3.36Å; S472-L475 PolarHBondContact O-N 3.22Å; L475-A478 PolarHBondContact O-N 3.11Å; L475-S479 WeakPolarHBondContact O-CB 3.44Å; L475-S479 PolarHBondContact O-N 2.62Å; L475-S479 PolarHBondContact O-OG 3.39Å; L475-Y509 HydrophobicContact CD1-CE2 3.84Å; L475-Y509 WeakPolarHBondContact CD1-OH 3.46Å |
| 476 | E | 85.1 | Confident | 85.9 | Confident | 107 Ų | 107 | 48.8 Ų | 48.8 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 175.9 | -167.6 | -173.2 | 159 | 0 | 0 | 111.4 | S472 L474 S479 K480 | S472-E476 PolarHBondContact O-N 3.45Å; L474-E476 VanDerWaalsContact C-N 3.35Å; E476-S479 PolarHBondContact O-N 2.75Å; E476-K480 WeakPolarHBondContact O-CG 3.32Å; E476-K480 PolarHBondContact O-N 3.03Å; E476-K480 VanDerWaalsContact OE1-CE 3.26Å; E476-K480 WeakPolarHBondContact OE1-CE 3.47Å; E476-K480 IonicContact OE1-NZ 3.77Å; E476-K480 PolarHBondContact OE1-NZ 3.39Å |
| 477 | Q | 83.9 | Confident | 86.1 | Confident | 57 Ų | 57 | 49 Ų | 49 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 176.2 | -68.9 | -65.9 | -18.5 | 0 | 0 | 112.3 | M410 G473 L474 S479 K480 S481 | M410-Q477 HydrophobicContact CE-CG 4.2Å; G473-Q477 VanDerWaalsContact O-CG 3.3Å; G473-Q477 WeakPolarHBondContact O-CG 3.26Å; G473-Q477 PolarHBondContact O-N 3.37Å; L474-Q477 PolarHBondContact O-N 3.06Å; Q477-S479 VanDerWaalsContact C-N 3.34Å; Q477-S479 PolarHBondContact O-N 3.23Å; Q477-K480 PolarHBondContact O-N 3.1Å; Q477-S481 WeakPolarHBondContact O-CB 3.4Å; Q477-S481 PolarHBondContact O-N 2.71Å |
| 478 | A | 86.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L426 L466 L474 L475 K480 S481 F482 | L426-A478 HydrophobicContact CD1-CB 4.21Å; L426-A478 HydrophobicContact CD2-CB 4.47Å; L466-A478 HydrophobicContact CD2-CB 4.36Å; L474-A478 VanDerWaalsContact O-CB 3.3Å; L474-A478 WeakPolarHBondContact O-CB 3.46Å; L474-A478 PolarHBondContact O-N 3.37Å; L475-A478 PolarHBondContact O-N 3.11Å; A478-K480 PolarHBondContact O-N 3.45Å; A478-S481 WeakPolarHBondContact O-CB 3.45Å; A478-S481 PolarHBondContact O-N 2.93Å; A478-F482 WeakPolarHBondContact O-CD1 3.48Å; A478-F482 WeakPolarHBondContact O-CG 3.25Å; A478-F482 PolarHBondContact O-N 3.43Å |
| 479 | S | 87.4 | Confident | 86.1 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 112 | L475 E476 Q477 S481 F482 E483 Y509 | L475-S479 WeakPolarHBondContact O-CB 3.44Å; L475-S479 PolarHBondContact O-N 2.62Å; L475-S479 PolarHBondContact O-OG 3.39Å; E476-S479 PolarHBondContact O-N 2.75Å; Q477-S479 VanDerWaalsContact C-N 3.34Å; Q477-S479 PolarHBondContact O-N 3.23Å; S479-S481 VanDerWaalsContact C-N 3.34Å; S479-S481 PolarHBondContact O-N 2.97Å; S479-F482 PolarHBondContact O-N 3.21Å; S479-E483 WeakPolarHBondContact O-CB 3.33Å; S479-E483 PolarHBondContact O-N 2.89Å; S479-Y509 PolarHBondContact OG-OH 2.88Å |
| 480 | K | 86.7 | Confident | 86.3 | Confident | 95 Ų | 95 | 45.4 Ų | 45.4 | 41% | 0.413 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 175.6 | -73 | 176 | -174.7 | 166.5 | 0 | 112.1 | E476 Q477 A478 E483 S484 | E476-K480 WeakPolarHBondContact O-CG 3.32Å; E476-K480 PolarHBondContact O-N 3.03Å; E476-K480 VanDerWaalsContact OE1-CE 3.26Å; E476-K480 WeakPolarHBondContact OE1-CE 3.47Å; E476-K480 IonicContact OE1-NZ 3.77Å; E476-K480 PolarHBondContact OE1-NZ 3.39Å; Q477-K480 PolarHBondContact O-N 3.1Å; A478-K480 PolarHBondContact O-N 3.45Å; K480-E483 PolarHBondContact O-N 3.42Å; K480-S484 WeakPolarHBondContact O-CB 3.38Å; K480-S484 PolarHBondContact O-N 2.99Å; K480-S484 PolarHBondContact O-OG 2.85Å |
| 481 | S | 87.5 | Confident | 86.5 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.4 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | S427 Q477 A478 S479 L485 L486 | S427-S481 WeakPolarHBondContact CA-OG 3.16Å; S427-S481 WeakPolarHBondContact CB-OG 3.21Å; S427-S481 PolarHBondContact N-OG 2.94Å; Q477-S481 WeakPolarHBondContact O-CB 3.4Å; Q477-S481 PolarHBondContact O-N 2.71Å; A478-S481 WeakPolarHBondContact O-CB 3.45Å; A478-S481 PolarHBondContact O-N 2.93Å; S479-S481 VanDerWaalsContact C-N 3.34Å; S479-S481 PolarHBondContact O-N 2.97Å; S481-L485 WeakPolarHBondContact O-CA 3.2Å; S481-L485 WeakPolarHBondContact O-CB 3.5Å; S481-L485 PolarHBondContact O-N 3.35Å; S481-L486 PolarHBondContact O-N 3.04Å |
| 482 | F | 89.7 | Confident | 86.6 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -64.3 | -43.3 | 177.2 | -65.1 | -14.9 | 0 | 0 | 0 | 112.4 | W432 A478 S479 L486 I487 L506 Y509 L521 | W432-F482 AromaticContact CE2-CE1 3.86Å; W432-F482 AromaticContact CE2-CZ 3.87Å; W432-F482 HydrophobicContact CH2-CZ 4.09Å; W432-F482 AromaticContact CZ2-CE1 3.84Å; W432-F482 HydrophobicContact CZ2-CE1 3.84Å; W432-F482 AromaticContact CZ2-CZ 3.52Å; W432-F482 HydrophobicContact CZ2-CZ 3.52Å; W432-F482 AromaticContact NE1-CE1 3.69Å; A478-F482 WeakPolarHBondContact O-CD1 3.48Å; A478-F482 WeakPolarHBondContact O-CG 3.25Å; A478-F482 PolarHBondContact O-N 3.43Å; S479-F482 PolarHBondContact O-N 3.21Å; F482-L486 HydrophobicContact CD1-CB 4.12Å; F482-L486 HydrophobicContact CD1-CD1 4.04Å; F482-L486 HydrophobicContact CD1-CG 4.5Å; F482-L486 HydrophobicContact CE1-CD1 4.02Å; F482-I487 HydrophobicContact CB-CD1 4.34Å; F482-I487 WeakPolarHBondContact O-CB 3.22Å; F482-I487 WeakPolarHBondContact O-CG1 3.4Å; F482-I487 PolarHBondContact O-N 3.24Å; F482-L506 HydrophobicContact CD1-CD2 4.48Å; F482-L506 HydrophobicContact CD2-CD2 4.38Å; F482-L506 HydrophobicContact CE1-CD2 4.35Å; F482-L506 HydrophobicContact CE2-CD2 4.24Å; F482-L506 HydrophobicContact CG-CD2 4.49Å; F482-L506 HydrophobicContact CZ-CD2 4.22Å; F482-Y509 HydrophobicContact CD2-CD1 4.01Å; F482-Y509 AromaticContact CD2-CE1 3.79Å; F482-Y509 HydrophobicContact CD2-CE1 3.79Å; F482-Y509 HydrophobicContact CE2-CD1 4.08Å; F482-Y509 HydrophobicContact CE2-CD2 4.1Å; F482-Y509 AromaticContact CE2-CE1 3.99Å; F482-Y509 HydrophobicContact CE2-CE1 3.99Å; F482-Y509 HydrophobicContact CE2-CE2 4.04Å; F482-Y509 HydrophobicContact CE2-CG 4.13Å; F482-Y509 AromaticContact CE2-CZ 3.99Å; F482-L521 HydrophobicContact CB-CD2 3.86Å |
| 483 | E | 88.1 | Confident | 86.8 | Confident | 76 Ų | 76 | 50.5 Ų | 50.5 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -64.7 | -50.2 | 178.6 | -179.1 | 176.9 | 177.8 | 0 | 0 | 112.4 | S479 K480 P488 R520 L521 | S479-E483 WeakPolarHBondContact O-CB 3.33Å; S479-E483 PolarHBondContact O-N 2.89Å; K480-E483 PolarHBondContact O-N 3.42Å; E483-P488 WeakPolarHBondContact O-CD 3.17Å; E483-P488 WeakPolarHBondContact O-CG 3.47Å; E483-R520 HydrophobicContact CG-CB 4.35Å; E483-R520 WeakPolarHBondContact OE1-CD 3.43Å; E483-L521 HydrophobicContact CB-CD2 3.75Å |
| 484 | S | 86.9 | Confident | 87.1 | Confident | 77 Ų | 77 | 49.3 Ų | 49.3 | 54% | 0.538 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -92.5 | -28 | -168.6 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | K480 | K480-S484 WeakPolarHBondContact O-CB 3.38Å; K480-S484 PolarHBondContact O-N 2.99Å; K480-S484 PolarHBondContact O-OG 2.85Å |
| 485 | L | 86.3 | Confident | 87.1 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 29% | 0.288 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -119.9 | -58.9 | -171.9 | -59.9 | 174.6 | 0 | 0 | 0 | 112 | V423 S481 Q489 | V423-L485 HydrophobicContact CG1-CD1 3.81Å; S481-L485 WeakPolarHBondContact O-CA 3.2Å; S481-L485 WeakPolarHBondContact O-CB 3.5Å; S481-L485 PolarHBondContact O-N 3.35Å; L485-Q489 VanDerWaalsContact O-CB 3.24Å; L485-Q489 WeakPolarHBondContact O-CB 3.4Å; L485-Q489 WeakPolarHBondContact O-CG 3.44Å; L485-Q489 PolarHBondContact O-N 3.45Å; L485-Q489 PolarHBondContact O-NE2 3.16Å |
| 486 | L | 88.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -72.3 | -54.6 | -165.4 | -166.2 | 150.4 | 0 | 0 | 0 | 113 | S427 T429 S481 F482 Q489 L490 I502 L506 | S427-L486 WeakPolarHBondContact O-CD1 3.18Å; T429-L486 HydrophobicContact CG2-CD1 4.29Å; T429-L486 HydrophobicContact CG2-CD2 4.28Å; T429-L486 HydrophobicContact CG2-CG 3.99Å; S481-L486 PolarHBondContact O-N 3.04Å; F482-L486 HydrophobicContact CD1-CB 4.12Å; F482-L486 HydrophobicContact CD1-CD1 4.04Å; F482-L486 HydrophobicContact CD1-CG 4.5Å; F482-L486 HydrophobicContact CE1-CD1 4.02Å; L486-Q489 PolarHBondContact O-N 2.7Å; L486-L490 HydrophobicContact CD2-CD2 4.42Å; L486-L490 PolarHBondContact O-N 2.95Å; L486-I502 HydrophobicContact CD1-CD1 4.48Å; L486-I502 HydrophobicContact CD2-CD1 4.33Å; L486-I502 HydrophobicContact CD2-CG1 4.14Å; L486-L506 HydrophobicContact CD2-CD1 3.57Å; L486-L506 HydrophobicContact CD2-CD2 4.08Å; L486-L506 HydrophobicContact CD2-CG 4.31Å |
| 487 | I | 90 | Very high | 87.5 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -45.4 | -177.2 | -64.4 | 168.4 | 0 | 0 | 0 | 112 | F482 Q489 L490 L506 L521 P524 L525 A528 | F482-I487 HydrophobicContact CB-CD1 4.34Å; F482-I487 WeakPolarHBondContact O-CB 3.22Å; F482-I487 WeakPolarHBondContact O-CG1 3.4Å; F482-I487 PolarHBondContact O-N 3.24Å; I487-Q489 PolarHBondContact O-N 3.03Å; I487-L490 WeakPolarHBondContact O-CB 3.49Å; I487-L490 PolarHBondContact O-N 3.41Å; I487-L506 HydrophobicContact CG1-CD1 4.41Å; I487-L521 HydrophobicContact CD1-CD2 3.9Å; I487-P524 HydrophobicContact CG2-CB 3.94Å; I487-L525 HydrophobicContact CD1-CB 4.33Å; I487-A528 HydrophobicContact CG2-CB 4.37Å |
| 488 | P | 87.5 | Confident | 87.9 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -25.5 | 178.3 | -23.7 | 35.3 | 0 | 0 | 0 | 114.3 | E483 | E483-P488 WeakPolarHBondContact O-CD 3.17Å; E483-P488 WeakPolarHBondContact O-CG 3.47Å |
| 489 | Q | 86.5 | Confident | 88.1 | Confident | 122 Ų | 122 | 44 Ų | 44 | 57% | 0.57 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -3.1 | -179 | -69.4 | 175.2 | 30.4 | 0 | 0 | 113.7 | L485 L486 I487 | L485-Q489 VanDerWaalsContact O-CB 3.24Å; L485-Q489 WeakPolarHBondContact O-CB 3.4Å; L485-Q489 WeakPolarHBondContact O-CG 3.44Å; L485-Q489 PolarHBondContact O-N 3.45Å; L485-Q489 PolarHBondContact O-NE2 3.16Å; L486-Q489 PolarHBondContact O-N 2.7Å; I487-Q489 PolarHBondContact O-N 3.03Å |
| 490 | L | 88.9 | Confident | 88.3 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | trans | -62.5 | 124.5 | 178.9 | -70.6 | 175.1 | 0 | 0 | 0 | 111.3 | T429 L486 I487 I502 Y503 L506 L525 A528 | T429-L490 HydrophobicContact CG2-CD2 4.08Å; L486-L490 HydrophobicContact CD2-CD2 4.42Å; L486-L490 PolarHBondContact O-N 2.95Å; I487-L490 WeakPolarHBondContact O-CB 3.49Å; I487-L490 PolarHBondContact O-N 3.41Å; L490-I502 HydrophobicContact CD2-CG1 4.3Å; L490-I502 HydrophobicContact CD2-CG2 3.71Å; L490-Y503 HydrophobicContact CB-CE1 4.38Å; L490-Y503 HydrophobicContact CD1-CD1 4.3Å; L490-Y503 HydrophobicContact CD1-CE1 3.78Å; L490-Y503 HydrophobicContact CG-CE1 4.48Å; L490-L506 HydrophobicContact CD1-CD1 4.15Å; L490-L525 HydrophobicContact CD1-CD1 4.33Å; L490-A528 HydrophobicContact CB-CB 4.44Å; L490-A528 HydrophobicContact CD1-CB 4.03Å | ||
| 491 | P | 85.9 | Confident | 88.6 | Confident | 53 Ų | 53 | 38.9 Ų | 38.9 | 34% | 0.344 | 21% | 0.214 | S | C | . | . | trans | -74.1 | 147.9 | -174.1 | 28.8 | -33.6 | 0 | 0 | 0 | 112.4 | S493 P494 Y503 | P491-S493 VanDerWaalsContact C-N 3.3Å; P491-P494 HydrophobicContact CG-CB 4.35Å; P491-P494 HydrophobicContact CG-CG 4.17Å; P491-Y503 PolarHBondContact O-OH 3.13Å; P491-Y503 VanDerWaalsContact O-OH 3.12Å | ||
| 492 | R | 87 | Confident | 88.8 | Confident | 140 Ų | 140 | 38.9 Ų | 38.9 | 53% | 0.528 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -65 | -36.2 | 171.6 | -61.5 | -164.1 | 177.6 | 169.3 | -0.2 | 112.5 | R531 L532 D533 | R492-R531 HydrophobicContact CG-CG 3.84Å; R492-R531 VanDerWaalsContact NE-CZ 3.29Å; R492-R531 VanDerWaalsContact NE-NH2 3.18Å; R492-L532 WeakPolarHBondContact O-CA 3.44Å; R492-D533 PolarHBondContact O-N 3.49Å |
| 493 | S | 87.1 | Confident | 89 | Confident | 69 Ų | 69 | 38.9 Ų | 38.9 | 48% | 0.483 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -126.2 | 87.5 | -179.7 | -130.9 | 0 | 0 | 0 | 0 | 108.4 | P491 D533 | P491-S493 VanDerWaalsContact C-N 3.3Å; S493-D533 WeakPolarHBondContact CB-OD2 3.35Å; S493-D533 PolarHBondContact OG-OD2 2.71Å |
| 494 | P | 88 | Confident | 89.1 | Confident | 15 Ų | 15 | 35.3 Ų | 35.3 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | trans | -57 | 139.7 | 172 | -23.5 | 33.9 | 0 | 0 | 0 | 110.6 | P491 D496 A499 M500 Y503 L532 | P491-P494 HydrophobicContact CG-CB 4.35Å; P491-P494 HydrophobicContact CG-CG 4.17Å; P494-D496 PolarHBondContact O-N 3.49Å; P494-A499 HydrophobicContact CB-CB 4.13Å; P494-M500 HydrophobicContact CB-CG 3.66Å; P494-M500 HydrophobicContact CB-SD 4.43Å; P494-M500 HydrophobicContact CG-CG 3.75Å; P494-M500 HydrophobicContact CG-SD 4.17Å; P494-Y503 HydrophobicContact CG-CE2 4.27Å; P494-L532 HydrophobicContact CG-CD2 4.05Å | ||
| 495 | P | 85.1 | Confident | 89.3 | Confident | 52 Ų | 52 | 31.6 Ų | 31.6 | 34% | 0.338 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -72.9 | -26.9 | -170.8 | 27.2 | -35.4 | 0 | 0 | 0 | 114.7 | S185 I189 A499 | S185-P495 WeakPolarHBondContact O-CB 3.43Å; S185-P495 WeakPolarHBondContact O-CG 3.41Å; I189-P495 HydrophobicContact CD1-CB 4.35Å; I189-P495 HydrophobicContact CD1-CG 3.94Å; I189-P495 HydrophobicContact CG1-CG 4.13Å; P495-A499 HydrophobicContact CG-CB 4.36Å |
| 496 | D | 89.8 | Confident | 89.5 | Confident | 22 Ų | 22 | 29.2 Ų | 29.2 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -144.6 | 162.9 | 171.9 | -169.7 | -89.3 | 0 | 0 | 0 | 109.3 | I189 F211 R239 P494 E498 A499 | I189-D496 HydrophobicContact CD1-CB 3.78Å; I189-D496 HydrophobicContact CG1-CB 4.34Å; F211-D496 HydrophobicContact CE1-CB 4.38Å; F211-D496 HydrophobicContact CZ-CB 3.96Å; R239-D496 IonicContact CZ-OD1 2.69Å; R239-D496 IonicContact CZ-OD2 2.76Å; R239-D496 IonicContact NH1-OD1 3.31Å; R239-D496 PolarHBondContact NH1-OD1 3.46Å; R239-D496 IonicContact NH1-OD2 2.78Å; R239-D496 PolarHBondContact NH1-OD2 3.44Å; R239-D496 IonicContact NH2-OD1 3.77Å; R239-D496 PolarHBondContact NH2-OD1 3.37Å; R239-D496 VanDerWaalsContact NH2-OD1 3.11Å; R239-D496 IonicContact NH2-OD2 3.66Å; P494-D496 PolarHBondContact O-N 3.49Å; D496-E498 PolarHBondContact O-N 3.44Å; D496-E498 PolarHBondContact OD1-N 3.27Å; D496-A499 PolarHBondContact O-N 3.33Å; D496-A499 VanDerWaalsContact O-N 3.09Å |
| 497 | V | 89.9 | Confident | 89.5 | Confident | 19 Ų | 19 | 29.8 Ų | 29.8 | 12% | 0.115 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -58.5 | -28.5 | 173.6 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | T447 P449 A499 M500 V539 W544 | T447-V497 HydrophobicContact CG2-CG2 3.99Å; P449-V497 HydrophobicContact CG-CG1 4.09Å; V497-A499 VanDerWaalsContact C-N 3.26Å; V497-A499 PolarHBondContact O-N 3.13Å; V497-M500 HydrophobicContact CB-CE 4.27Å; V497-M500 HydrophobicContact CG1-CE 4.02Å; V497-M500 WeakPolarHBondContact O-CB 3.48Å; V497-M500 PolarHBondContact O-N 3.28Å; V497-V539 HydrophobicContact CG1-CG1 4.29Å; V497-W544 HydrophobicContact CB-CZ2 4.23Å; V497-W544 WeakPolarHBondContact O-CH2 3.47Å |
| 498 | E | 91.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -58.7 | -36.1 | 174.9 | -71.2 | -168.3 | -125.2 | 0 | 0 | 113 | I189 S205 S207 A209 N433 T447 D496 M500 R501 | I189-E498 HydrophobicContact CG2-CB 4.49Å; S205-E498 WeakPolarHBondContact CB-OE1 3.44Å; S205-E498 WeakPolarHBondContact CB-OE2 3.42Å; S205-E498 PolarHBondContact OG-OE1 2.77Å; S205-E498 PolarHBondContact OG-OE2 3.05Å; S207-E498 VanDerWaalsContact CB-CD 3.42Å; S207-E498 WeakPolarHBondContact CB-OE1 3.34Å; S207-E498 VanDerWaalsContact CB-OE2 3.23Å; S207-E498 WeakPolarHBondContact CB-OE2 3.46Å; S207-E498 PolarHBondContact OG-OE2 2.96Å; A209-E498 WeakPolarHBondContact CB-OE1 3.46Å; N433-E498 PolarHBondContact ND2-O 3.18Å; T447-E498 HydrophobicContact CG2-CG 4.09Å; D496-E498 PolarHBondContact O-N 3.44Å; D496-E498 PolarHBondContact OD1-N 3.27Å; E498-M500 PolarHBondContact O-N 3.02Å; E498-R501 WeakPolarHBondContact O-CD 3.19Å; E498-R501 WeakPolarHBondContact O-CG 3.38Å; E498-R501 PolarHBondContact O-N 2.91Å; E498-R501 IonicContact OE2-NH1 2.68Å; E498-R501 PolarHBondContact OE2-NH1 3.33Å |
| 499 | A | 91.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -70.3 | -21.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I189 N433 P494 P495 D496 V497 R501 I502 | I189-A499 HydrophobicContact CG1-CB 4.15Å; N433-A499 PolarHBondContact ND2-O 3.4Å; P494-A499 HydrophobicContact CB-CB 4.13Å; P495-A499 HydrophobicContact CG-CB 4.36Å; D496-A499 PolarHBondContact O-N 3.33Å; D496-A499 VanDerWaalsContact O-N 3.09Å; V497-A499 VanDerWaalsContact C-N 3.26Å; V497-A499 PolarHBondContact O-N 3.13Å; A499-R501 VanDerWaalsContact C-N 3.32Å; A499-R501 PolarHBondContact O-N 3.47Å; A499-I502 VanDerWaalsContact O-CG2 3.3Å; A499-I502 WeakPolarHBondContact O-CG2 3.17Å |
| 500 | M | 91.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -79 | -12.7 | -178.3 | -56.8 | -157.7 | -56.3 | 0 | 0 | 114.1 | P494 V497 E498 I502 Y503 P536 V539 W544 | P494-M500 HydrophobicContact CB-CG 3.66Å; P494-M500 HydrophobicContact CB-SD 4.43Å; P494-M500 HydrophobicContact CG-CG 3.75Å; P494-M500 HydrophobicContact CG-SD 4.17Å; V497-M500 HydrophobicContact CB-CE 4.27Å; V497-M500 HydrophobicContact CG1-CE 4.02Å; V497-M500 WeakPolarHBondContact O-CB 3.48Å; V497-M500 PolarHBondContact O-N 3.28Å; E498-M500 PolarHBondContact O-N 3.02Å; M500-I502 PolarHBondContact O-N 3.16Å; M500-I502 VanDerWaalsContact O-N 3.1Å; M500-Y503 HydrophobicContact CB-CD2 4.31Å; M500-Y503 WeakPolarHBondContact O-CD2 3.46Å; M500-Y503 PolarHBondContact O-N 3.12Å; M500-Y503 VanDerWaalsContact O-N 3.09Å; M500-P536 HydrophobicContact SD-CB 3.58Å; M500-P536 VanDerWaalsContact SD-CB 3.58Å; M500-P536 HydrophobicContact SD-CG 4.38Å; M500-V539 HydrophobicContact CE-CB 3.43Å; M500-V539 VanDerWaalsContact CE-CB 3.43Å; M500-V539 HydrophobicContact CE-CG1 3.21Å; M500-V539 HydrophobicContact CE-CG2 4.13Å; M500-W544 HydrophobicContact CB-CH2 3.69Å; M500-W544 HydrophobicContact CB-CZ3 3.62Å; M500-W544 HydrophobicContact CE-CH2 4.03Å; M500-W544 HydrophobicContact CE-CZ2 4.41Å; M500-W544 HydrophobicContact CE-CZ3 4.24Å |
| 501 | R | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.8 | -30.3 | 177.2 | -69.1 | 167.8 | 174.6 | 160.5 | -6 | 112.4 | S207 N433 T447 P452 I454 E498 A499 Y503 L504 I505 | S207-R501 PolarHBondContact OG-NH1 3.46Å; S207-R501 PolarHBondContact OG-NH2 3.49Å; N433-R501 WeakPolarHBondContact OD1-CB 3.3Å; T447-R501 PolarHBondContact OG1-NH2 3.34Å; P452-R501 PolarHBondContact O-NE 3.1Å; P452-R501 PolarHBondContact O-NH2 2.95Å; I454-R501 HydrophobicContact CG2-CB 3.96Å; I454-R501 HydrophobicContact CG2-CG 3.58Å; E498-R501 WeakPolarHBondContact O-CD 3.19Å; E498-R501 WeakPolarHBondContact O-CG 3.38Å; E498-R501 PolarHBondContact O-N 2.91Å; E498-R501 IonicContact OE2-NH1 2.68Å; E498-R501 PolarHBondContact OE2-NH1 3.33Å; A499-R501 VanDerWaalsContact C-N 3.32Å; A499-R501 PolarHBondContact O-N 3.47Å; R501-Y503 PolarHBondContact O-N 3.35Å; R501-L504 WeakPolarHBondContact O-CB 2.99Å; R501-L504 PolarHBondContact O-N 3.09Å; R501-I505 HydrophobicContact CB-CD1 4.5Å; R501-I505 WeakPolarHBondContact O-CG1 3.07Å; R501-I505 PolarHBondContact O-N 3.34Å |
| 502 | I | 93 | Very high | 89 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.6 | -34.9 | 179 | -169.2 | 60.9 | 0 | 0 | 0 | 112.7 | T429 W432 N433 L486 L490 A499 M500 L504 I505 L506 | T429-I502 HydrophobicContact CG2-CG1 4.01Å; W432-I502 HydrophobicContact CB-CD1 3.64Å; W432-I502 HydrophobicContact CG-CD1 4.03Å; N433-I502 WeakPolarHBondContact OD1-CA 3Å; N433-I502 PolarHBondContact OD1-N 2.62Å; L486-I502 HydrophobicContact CD1-CD1 4.48Å; L486-I502 HydrophobicContact CD2-CD1 4.33Å; L486-I502 HydrophobicContact CD2-CG1 4.14Å; L490-I502 HydrophobicContact CD2-CG1 4.3Å; L490-I502 HydrophobicContact CD2-CG2 3.71Å; A499-I502 VanDerWaalsContact O-CG2 3.3Å; A499-I502 WeakPolarHBondContact O-CG2 3.17Å; M500-I502 PolarHBondContact O-N 3.16Å; M500-I502 VanDerWaalsContact O-N 3.1Å; I502-L504 VanDerWaalsContact C-N 3.31Å; I502-L504 PolarHBondContact O-N 3.03Å; I502-I505 PolarHBondContact O-N 3.05Å; I502-L506 HydrophobicContact CD1-CD1 4.46Å; I502-L506 HydrophobicContact CD1-CD2 4.47Å; I502-L506 HydrophobicContact CD1-CG 4.12Å; I502-L506 HydrophobicContact CG1-CD1 3.99Å; I502-L506 HydrophobicContact CG1-CG 4.12Å; I502-L506 WeakPolarHBondContact O-CB 3.38Å; I502-L506 VanDerWaalsContact O-CG 3.27Å; I502-L506 WeakPolarHBondContact O-CG 3.45Å; I502-L506 PolarHBondContact O-N 2.7Å |
| 503 | Y | 92 | Very high | 88.8 | Confident | 3 Ų | 3 | 17.8 Ų | 17.8 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 178.6 | -65.4 | -84.4 | 0 | 0 | 0 | 111.2 | L490 P491 P494 M500 R501 S507 I529 L532 | L490-Y503 HydrophobicContact CB-CE1 4.38Å; L490-Y503 HydrophobicContact CD1-CD1 4.3Å; L490-Y503 HydrophobicContact CD1-CE1 3.78Å; L490-Y503 HydrophobicContact CG-CE1 4.48Å; P491-Y503 PolarHBondContact O-OH 3.13Å; P491-Y503 VanDerWaalsContact O-OH 3.12Å; P494-Y503 HydrophobicContact CG-CE2 4.27Å; M500-Y503 HydrophobicContact CB-CD2 4.31Å; M500-Y503 WeakPolarHBondContact O-CD2 3.46Å; M500-Y503 PolarHBondContact O-N 3.12Å; M500-Y503 VanDerWaalsContact O-N 3.09Å; R501-Y503 PolarHBondContact O-N 3.35Å; Y503-S507 PolarHBondContact O-N 2.9Å; Y503-S507 PolarHBondContact O-OG 3.31Å; Y503-I529 HydrophobicContact CD1-CG1 3.73Å; Y503-I529 HydrophobicContact CE1-CG1 4.29Å; Y503-L532 HydrophobicContact CE1-CD1 4.34Å; Y503-L532 HydrophobicContact CE1-CD2 4.47Å; Y503-L532 HydrophobicContact CE2-CD1 4.48Å; Y503-L532 HydrophobicContact CE2-CD2 4.13Å; Y503-L532 WeakPolarHBondContact OH-CD2 3.39Å |
| 504 | L | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71 | -41.9 | 175.3 | -62.9 | 179 | 0 | 0 | 0 | 111.9 | P452 I454 L456 R501 I502 S507 L540 W544 M548 | P452-L504 HydrophobicContact CB-CD1 3.9Å; P452-L504 HydrophobicContact CG-CD1 4.23Å; I454-L504 HydrophobicContact CD1-CB 3.88Å; I454-L504 HydrophobicContact CD1-CD1 3.86Å; L456-L504 HydrophobicContact CD2-CB 4.49Å; R501-L504 WeakPolarHBondContact O-CB 2.99Å; R501-L504 PolarHBondContact O-N 3.09Å; I502-L504 VanDerWaalsContact C-N 3.31Å; I502-L504 PolarHBondContact O-N 3.03Å; L504-S507 PolarHBondContact O-N 3.39Å; L504-L540 HydrophobicContact CD2-CD1 3.78Å; L504-L540 HydrophobicContact CG-CD1 4.2Å; L504-W544 HydrophobicContact CD1-CB 4.49Å; L504-W544 HydrophobicContact CD1-CD2 4.19Å; L504-W544 HydrophobicContact CD1-CE3 3.6Å; L504-W544 HydrophobicContact CD1-CZ3 4.08Å; L504-W544 HydrophobicContact CG-CE3 4.05Å; L504-W544 HydrophobicContact CG-CZ3 4.44Å; L504-M548 HydrophobicContact CD2-CE 4.01Å; L504-M548 HydrophobicContact CD2-SD 4.44Å |
| 505 | I | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | 178.1 | -65.2 | 165.7 | 0 | 0 | 0 | 110.1 | W432 F436 I454 V459 F463 R501 I502 S507 E508 | W432-I505 HydrophobicContact CB-CD1 4.42Å; W432-I505 HydrophobicContact CE3-CG2 3.92Å; F436-I505 HydrophobicContact CD2-CD1 3.86Å; F436-I505 HydrophobicContact CD2-CG1 4.25Å; F436-I505 HydrophobicContact CD2-CG2 4.43Å; F436-I505 HydrophobicContact CE2-CD1 4.44Å; F436-I505 HydrophobicContact CE2-CG2 4.16Å; I454-I505 HydrophobicContact CD1-CG1 4.48Å; V459-I505 HydrophobicContact CG1-CG2 4.19Å; V459-I505 HydrophobicContact CG2-CG1 4.19Å; F463-I505 HydrophobicContact CE2-CG2 4.34Å; F463-I505 WeakPolarHBondContact CE2-O 3.42Å; F463-I505 HydrophobicContact CZ-CG2 4.23Å; R501-I505 HydrophobicContact CB-CD1 4.5Å; R501-I505 WeakPolarHBondContact O-CG1 3.07Å; R501-I505 PolarHBondContact O-N 3.34Å; I502-I505 PolarHBondContact O-N 3.05Å; I505-S507 VanDerWaalsContact C-N 3.35Å; I505-S507 PolarHBondContact O-N 2.94Å; I505-E508 PolarHBondContact O-N 2.93Å |
| 506 | L | 91.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.8 | -35.4 | 179.5 | -68.3 | 175.3 | 0 | 0 | 0 | 112.5 | F482 L486 I487 L490 I502 E508 Y509 L512 L525 | F482-L506 HydrophobicContact CD1-CD2 4.48Å; F482-L506 HydrophobicContact CD2-CD2 4.38Å; F482-L506 HydrophobicContact CE1-CD2 4.35Å; F482-L506 HydrophobicContact CE2-CD2 4.24Å; F482-L506 HydrophobicContact CG-CD2 4.49Å; F482-L506 HydrophobicContact CZ-CD2 4.22Å; L486-L506 HydrophobicContact CD2-CD1 3.57Å; L486-L506 HydrophobicContact CD2-CD2 4.08Å; L486-L506 HydrophobicContact CD2-CG 4.31Å; I487-L506 HydrophobicContact CG1-CD1 4.41Å; L490-L506 HydrophobicContact CD1-CD1 4.15Å; I502-L506 HydrophobicContact CD1-CD1 4.46Å; I502-L506 HydrophobicContact CD1-CD2 4.47Å; I502-L506 HydrophobicContact CD1-CG 4.12Å; I502-L506 HydrophobicContact CG1-CD1 3.99Å; I502-L506 HydrophobicContact CG1-CG 4.12Å; I502-L506 WeakPolarHBondContact O-CB 3.38Å; I502-L506 VanDerWaalsContact O-CG 3.27Å; I502-L506 WeakPolarHBondContact O-CG 3.45Å; I502-L506 PolarHBondContact O-N 2.7Å; L506-E508 PolarHBondContact O-N 2.6Å; L506-E508 VanDerWaalsContact O-N 3.16Å; L506-Y509 WeakPolarHBondContact O-CB 3.17Å; L506-Y509 PolarHBondContact O-N 2.92Å; L506-L512 WeakPolarHBondContact O-CD1 3.34Å; L506-L525 HydrophobicContact CB-CD1 4.14Å; L506-L525 HydrophobicContact CB-CD2 4.01Å; L506-L525 HydrophobicContact CD1-CD1 3.81Å |
| 507 | S | 89 | Confident | 87.8 | Confident | 13 Ų | 13 | 25.6 Ų | 25.6 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -20.7 | 176.4 | -67.4 | 0 | 0 | 0 | 0 | 114 | Y503 L504 I505 | Y503-S507 PolarHBondContact O-N 2.9Å; Y503-S507 PolarHBondContact O-OG 3.31Å; L504-S507 PolarHBondContact O-N 3.39Å; I505-S507 VanDerWaalsContact C-N 3.35Å; I505-S507 PolarHBondContact O-N 2.94Å |
| 508 | E | 88 | Confident | 87.6 | Confident | 8 Ų | 8 | 25.2 Ų | 25.2 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0 | 176 | -72.6 | -76.8 | -172.1 | 0 | 0 | 113.2 | L456 V459 R460 F463 I505 L506 P510 F552 R555 | L456-E508 HydrophobicContact CD2-CG 4.47Å; V459-E508 HydrophobicContact CG1-CB 3.82Å; V459-E508 HydrophobicContact CG1-CG 4.37Å; R460-E508 IonicContact CZ-OE1 3.84Å; R460-E508 VanDerWaalsContact CZ-OE1 3.31Å; R460-E508 IonicContact NE-OE1 3.59Å; R460-E508 PolarHBondContact NE-OE1 2.87Å; R460-E508 IonicContact NE-OE2 3.96Å; R460-E508 PolarHBondContact NE-OE2 2.91Å; R460-E508 IonicContact NH2-OE1 2.94Å; R460-E508 PolarHBondContact NH2-OE1 3.33Å; F463-E508 HydrophobicContact CD2-CB 4.29Å; F463-E508 HydrophobicContact CE2-CB 4.29Å; I505-E508 PolarHBondContact O-N 2.93Å; L506-E508 PolarHBondContact O-N 2.6Å; L506-E508 VanDerWaalsContact O-N 3.16Å; E508-P510 VanDerWaalsContact O-CD 3.31Å; E508-P510 WeakPolarHBondContact O-CD 3.49Å; E508-F552 HydrophobicContact CG-CD2 4.28Å; E508-F552 HydrophobicContact CG-CE2 4.09Å; E508-F552 WeakPolarHBondContact OE1-CD2 3.2Å; E508-R555 IonicContact OE1-CZ 2.68Å; E508-R555 IonicContact OE1-NH2 2.72Å; E508-R555 PolarHBondContact OE1-NH2 2.94Å; E508-R555 IonicContact OE2-CZ 3.67Å; E508-R555 IonicContact OE2-NH1 2.65Å; E508-R555 PolarHBondContact OE2-NH1 3.26Å; E508-R555 IonicContact OE2-NH2 3.36Å; E508-R555 PolarHBondContact OE2-NH2 3.21Å |
| 509 | Y | 88.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | trans | -71.1 | 118.4 | -176.6 | -176.1 | -129.9 | 0 | 0 | 0 | 112.1 | F463 L466 L475 S479 F482 L506 A511 L512 L521 | F463-Y509 AromaticContact CD1-CD2 3.66Å; F463-Y509 HydrophobicContact CD1-CD2 3.66Å; F463-Y509 HydrophobicContact CD1-CE2 4.18Å; F463-Y509 AromaticContact CE1-CD2 3.53Å; F463-Y509 HydrophobicContact CE1-CD2 3.53Å; F463-Y509 HydrophobicContact CE1-CE2 4.16Å; F463-Y509 HydrophobicContact CE1-CG 4.44Å; F463-Y509 HydrophobicContact CG-CD2 4.28Å; F463-Y509 HydrophobicContact CZ-CD2 4.03Å; L466-Y509 HydrophobicContact CD2-CE2 4.41Å; L475-Y509 HydrophobicContact CD1-CE2 3.84Å; L475-Y509 WeakPolarHBondContact CD1-OH 3.46Å; S479-Y509 PolarHBondContact OG-OH 2.88Å; F482-Y509 HydrophobicContact CD2-CD1 4.01Å; F482-Y509 AromaticContact CD2-CE1 3.79Å; F482-Y509 HydrophobicContact CD2-CE1 3.79Å; F482-Y509 HydrophobicContact CE2-CD1 4.08Å; F482-Y509 HydrophobicContact CE2-CD2 4.1Å; F482-Y509 AromaticContact CE2-CE1 3.99Å; F482-Y509 HydrophobicContact CE2-CE1 3.99Å; F482-Y509 HydrophobicContact CE2-CE2 4.04Å; F482-Y509 HydrophobicContact CE2-CG 4.13Å; F482-Y509 AromaticContact CE2-CZ 3.99Å; L506-Y509 WeakPolarHBondContact O-CB 3.17Å; L506-Y509 PolarHBondContact O-N 2.92Å; Y509-A511 VanDerWaalsContact C-N 3.29Å; Y509-A511 HydrophobicContact CD1-CB 3.98Å; Y509-A511 HydrophobicContact CE1-CB 3.37Å; Y509-A511 HydrophobicContact CE2-CB 4.38Å; Y509-A511 PolarHBondContact O-N 3.37Å; Y509-L512 HydrophobicContact CD1-CD2 4.28Å; Y509-L512 HydrophobicContact CD1-CG 4.04Å; Y509-L512 WeakPolarHBondContact O-CB 3.41Å; Y509-L512 WeakPolarHBondContact O-CG 3.38Å; Y509-L512 PolarHBondContact O-N 3.47Å; Y509-L512 VanDerWaalsContact O-N 3.13Å; Y509-L521 HydrophobicContact CE1-CD1 4.19Å | ||
| 510 | P | 83.9 | Confident | 86.8 | Confident | 45 Ų | 45 | 33.9 Ų | 33.9 | 29% | 0.292 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -61 | -33.6 | -171.9 | -27.1 | 35.2 | 0 | 0 | 0 | 114.3 | F463 E508 L512 Q513 | F463-P510 HydrophobicContact CB-CG 3.85Å; E508-P510 VanDerWaalsContact O-CD 3.31Å; E508-P510 WeakPolarHBondContact O-CD 3.49Å; P510-L512 PolarHBondContact O-N 3.45Å; P510-L512 VanDerWaalsContact O-N 3.11Å; P510-Q513 PolarHBondContact O-N 2.89Å; P510-Q513 VanDerWaalsContact O-N 3.1Å |
| 511 | A | 83.4 | Confident | 86.5 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 13% | 0.132 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -68.7 | -11.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y509 Q513 D514 N517 | Y509-A511 VanDerWaalsContact C-N 3.29Å; Y509-A511 HydrophobicContact CD1-CB 3.98Å; Y509-A511 HydrophobicContact CE1-CB 3.37Å; Y509-A511 HydrophobicContact CE2-CB 4.38Å; Y509-A511 PolarHBondContact O-N 3.37Å; A511-Q513 PolarHBondContact O-N 2.86Å; A511-D514 PolarHBondContact O-N 2.94Å; A511-N517 WeakPolarHBondContact O-CB 3.32Å; A511-N517 PolarHBondContact O-ND2 3.27Å; A511-N517 VanDerWaalsContact O-ND2 3.09Å |
| 512 | L | 83.6 | Confident | 86.3 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -68.9 | -19.5 | 172.5 | -62.8 | -178.2 | 0 | 0 | 0 | 113.2 | L506 Y509 P510 Y518 L521 T522 L525 M559 | L506-L512 WeakPolarHBondContact O-CD1 3.34Å; Y509-L512 HydrophobicContact CD1-CD2 4.28Å; Y509-L512 HydrophobicContact CD1-CG 4.04Å; Y509-L512 WeakPolarHBondContact O-CB 3.41Å; Y509-L512 WeakPolarHBondContact O-CG 3.38Å; Y509-L512 PolarHBondContact O-N 3.47Å; Y509-L512 VanDerWaalsContact O-N 3.13Å; P510-L512 PolarHBondContact O-N 3.45Å; P510-L512 VanDerWaalsContact O-N 3.11Å; L512-Y518 WeakPolarHBondContact O-CE1 3.29Å; L512-L521 HydrophobicContact CD2-CB 3.74Å; L512-T522 WeakPolarHBondContact CA-OG1 3.19Å; L512-T522 HydrophobicContact CB-CG2 4.16Å; L512-T522 HydrophobicContact CD2-CG2 4.43Å; L512-T522 PolarHBondContact O-OG1 2.88Å; L512-L525 HydrophobicContact CD1-CD2 3.69Å; L512-M559 HydrophobicContact CB-SD 3.67Å |
| 513 | Q | 82.4 | Confident | 86.1 | Confident | 84 Ų | 84 | 33.6 Ų | 33.6 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -86.2 | -11.2 | 178.3 | -58.6 | -176.8 | 11.6 | 0 | 0 | 113.1 | P510 A511 Y518 | P510-Q513 PolarHBondContact O-N 2.89Å; P510-Q513 VanDerWaalsContact O-N 3.1Å; A511-Q513 PolarHBondContact O-N 2.86Å; Q513-Y518 PolarHBondContact O-OH 3.46Å |
| 514 | D | 83.7 | Confident | 86 | Confident | 68 Ų | 68 | 34.8 Ų | 34.8 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -80.8 | 128.9 | 177.9 | -172.9 | -7.7 | 0 | 0 | 0 | 110.4 | A511 K516 N517 Y518 | A511-D514 PolarHBondContact O-N 2.94Å; D514-K516 PolarHBondContact O-N 3.35Å; D514-K516 VanDerWaalsContact O-N 3.16Å; D514-K516 PolarHBondContact OD1-N 2.85Å; D514-K516 VanDerWaalsContact OD1-N 3.15Å; D514-N517 PolarHBondContact O-N 3.49Å; D514-Y518 VanDerWaalsContact O-CD1 3.22Å; D514-Y518 WeakPolarHBondContact O-CD1 3.16Å; D514-Y518 WeakPolarHBondContact O-CE1 3.48Å |
| 515 | S | 80.4 | Confident | 86 | Confident | 59 Ų | 59 | 34.8 Ų | 34.8 | 41% | 0.413 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -59.3 | -27.6 | -179.3 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | N517 | S515-N517 PolarHBondContact O-N 3.49Š|
| 516 | K | 81.8 | Confident | 85.9 | Confident | 163 Ų | 163 | 34.8 Ų | 34.8 | 71% | 0.709 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -65.1 | -27.5 | 176.6 | -64.2 | 176.1 | -175.6 | 172.3 | 0 | 113 | D514 | D514-K516 PolarHBondContact O-N 3.35Å; D514-K516 VanDerWaalsContact O-N 3.16Å; D514-K516 PolarHBondContact OD1-N 2.85Å; D514-K516 VanDerWaalsContact OD1-N 3.15Å |
| 517 | N | 84.1 | Confident | 85.8 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 18% | 0.176 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -102 | -4.4 | -172 | -65 | -32 | 0 | 0 | 0 | 113.5 | A511 D514 S515 I519 R520 L521 T522 | A511-N517 WeakPolarHBondContact O-CB 3.32Å; A511-N517 PolarHBondContact O-ND2 3.27Å; A511-N517 VanDerWaalsContact O-ND2 3.09Å; D514-N517 PolarHBondContact O-N 3.49Å; S515-N517 PolarHBondContact O-N 3.49Å; N517-I519 VanDerWaalsContact C-N 3.35Å; N517-I519 PolarHBondContact O-N 3.22Å; N517-R520 PolarHBondContact O-N 2.86Å; N517-R520 VanDerWaalsContact O-N 3.17Å; N517-L521 HydrophobicContact CB-CD1 4.19Å; N517-L521 PolarHBondContact O-N 3.32Å; N517-T522 PolarHBondContact O-N 2.84Å |
| 518 | Y | 84.4 | Confident | 85.8 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -55.2 | -47.2 | -176.8 | -69 | -15.9 | 0 | 0 | 0 | 113.1 | L512 Q513 D514 T522 I523 R562 I563 F566 | L512-Y518 WeakPolarHBondContact O-CE1 3.29Å; Q513-Y518 PolarHBondContact O-OH 3.46Å; D514-Y518 VanDerWaalsContact O-CD1 3.22Å; D514-Y518 WeakPolarHBondContact O-CD1 3.16Å; D514-Y518 WeakPolarHBondContact O-CE1 3.48Å; Y518-T522 PolarHBondContact O-N 3.14Å; Y518-I523 WeakPolarHBondContact O-CB 3.38Å; Y518-I523 WeakPolarHBondContact O-CG1 3.44Å; Y518-I523 PolarHBondContact O-N 3.4Å; Y518-R562 WeakPolarHBondContact OH-CB 3.34Å; Y518-I563 HydrophobicContact CD1-CD1 4.12Å; Y518-I563 HydrophobicContact CD1-CG1 3.75Å; Y518-I563 HydrophobicContact CD2-CB 4.47Å; Y518-I563 HydrophobicContact CD2-CG1 3.71Å; Y518-I563 HydrophobicContact CE1-CD1 4.44Å; Y518-I563 HydrophobicContact CE1-CG1 3.95Å; Y518-I563 HydrophobicContact CE2-CG1 3.92Å; Y518-I563 HydrophobicContact CG-CD1 4.33Å; Y518-I563 HydrophobicContact CG-CG1 3.63Å; Y518-F566 HydrophobicContact CD2-CB 4.05Å; Y518-F566 AromaticContact CD2-CD1 3.97Å; Y518-F566 HydrophobicContact CD2-CD1 3.97Å; Y518-F566 HydrophobicContact CD2-CD2 4.46Å; Y518-F566 AromaticContact CD2-CG 3.9Å; Y518-F566 HydrophobicContact CD2-CG 3.9Å; Y518-F566 HydrophobicContact CE2-CB 4.12Å; Y518-F566 HydrophobicContact CE2-CG 4.33Å |
| 519 | I | 82.9 | Confident | 86 | Confident | 38 Ų | 38 | 37.2 Ų | 37.2 | 20% | 0.195 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -71.5 | -34.8 | -179.1 | -61.2 | 173.9 | 0 | 0 | 0 | 111.6 | N517 P524 F566 M567 I574 L575 Y583 | N517-I519 VanDerWaalsContact C-N 3.35Å; N517-I519 PolarHBondContact O-N 3.22Å; I519-P524 WeakPolarHBondContact O-CD 3.34Å; I519-P524 WeakPolarHBondContact O-CG 3.49Å; I519-F566 HydrophobicContact CD1-CE1 4.18Å; I519-F566 HydrophobicContact CG1-CE1 4.31Å; I519-M567 HydrophobicContact CG1-CE 4.29Å; I519-I574 HydrophobicContact CD1-CG2 4.01Å; I519-L575 HydrophobicContact CD1-CD1 3.93Å; I519-L575 HydrophobicContact CD1-CD2 4.22Å; I519-L575 HydrophobicContact CD1-CG 4.06Å; I519-L575 HydrophobicContact CG1-CD1 4.29Å; I519-L575 HydrophobicContact CG2-CD2 3.92Å; I519-Y583 HydrophobicContact CG2-CE2 4.07Å |
| 520 | R | 83.8 | Confident | 86 | Confident | 150 Ų | 150 | 39 Ų | 39 | 57% | 0.566 | 20% | 0.197 | S | C | * | . | I | π-helix | trans | -87.2 | -32.8 | -172.4 | -66.6 | -175.6 | -174.9 | -176 | 1.8 | 113.8 | E483 N517 | E483-R520 HydrophobicContact CG-CB 4.35Å; E483-R520 WeakPolarHBondContact OE1-CD 3.43Å; N517-R520 PolarHBondContact O-N 2.86Å; N517-R520 VanDerWaalsContact O-N 3.17Å |
| 521 | L | 86.3 | Confident | 86.3 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -124.1 | -57.5 | -172.3 | -68.1 | 177 | 0 | 0 | 0 | 112.6 | F482 E483 I487 Y509 L512 N517 P524 L525 | F482-L521 HydrophobicContact CB-CD2 3.86Å; E483-L521 HydrophobicContact CB-CD2 3.75Å; I487-L521 HydrophobicContact CD1-CD2 3.9Å; Y509-L521 HydrophobicContact CE1-CD1 4.19Å; L512-L521 HydrophobicContact CD2-CB 3.74Å; N517-L521 HydrophobicContact CB-CD1 4.19Å; N517-L521 PolarHBondContact O-N 3.32Å; L521-P524 WeakPolarHBondContact O-CD 3.3Å; L521-L525 WeakPolarHBondContact O-CB 3.39Å; L521-L525 PolarHBondContact O-N 2.78Å |
| 522 | T | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -69.5 | -41.2 | -166.4 | -40.3 | 0 | 0 | 0 | 0 | 113.3 | L512 N517 Y518 A526 M559 Y560 I563 | L512-T522 WeakPolarHBondContact CA-OG1 3.19Å; L512-T522 HydrophobicContact CB-CG2 4.16Å; L512-T522 HydrophobicContact CD2-CG2 4.43Å; L512-T522 PolarHBondContact O-OG1 2.88Å; N517-T522 PolarHBondContact O-N 2.84Å; Y518-T522 PolarHBondContact O-N 3.14Å; T522-A526 PolarHBondContact O-N 3.47Å; T522-M559 HydrophobicContact CG2-CE 3.74Å; T522-M559 HydrophobicContact CG2-CG 4.18Å; T522-M559 HydrophobicContact CG2-SD 3.7Å; T522-Y560 HydrophobicContact CG2-CE1 3.99Å; T522-I563 HydrophobicContact CG2-CD1 3.45Å; T522-I563 VanDerWaalsContact CG2-CD1 3.45Å |
| 523 | I | 88.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.8 | -44.9 | 176.6 | -64.9 | 162.1 | 0 | 0 | 0 | 111.7 | Y518 L525 A526 M527 I563 M567 Y583 | Y518-I523 WeakPolarHBondContact O-CB 3.38Å; Y518-I523 WeakPolarHBondContact O-CG1 3.44Å; Y518-I523 PolarHBondContact O-N 3.4Å; I523-L525 PolarHBondContact O-N 3.44Å; I523-A526 WeakPolarHBondContact O-CA 3.44Å; I523-A526 WeakPolarHBondContact O-CB 3.35Å; I523-A526 PolarHBondContact O-N 2.99Å; I523-M527 HydrophobicContact CG2-CE 4.45Å; I523-M527 HydrophobicContact CG2-CG 4.43Å; I523-M527 WeakPolarHBondContact O-CG 3.33Å; I523-M527 PolarHBondContact O-N 2.87Å; I523-I563 HydrophobicContact CD1-CG2 3.84Å; I523-I563 HydrophobicContact CG1-CG2 3.94Å; I523-M567 HydrophobicContact CD1-CE 3.13Å; I523-Y583 HydrophobicContact CG2-CD1 3.82Å; I523-Y583 HydrophobicContact CG2-CD2 4.19Å; I523-Y583 HydrophobicContact CG2-CE1 4.49Å; I523-Y583 HydrophobicContact CG2-CG 3.64Å |
| 524 | P | 89.6 | Confident | 87.1 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.4 | -38.7 | 170.4 | -32 | 39.3 | 0 | 0 | 0 | 114 | I487 I519 L521 M527 A528 | I487-P524 HydrophobicContact CG2-CB 3.94Å; I519-P524 WeakPolarHBondContact O-CD 3.34Å; I519-P524 WeakPolarHBondContact O-CG 3.49Å; L521-P524 WeakPolarHBondContact O-CD 3.3Å; P524-M527 HydrophobicContact CB-CE 4.33Å; P524-M527 HydrophobicContact CG-CE 4.31Å; P524-M527 PolarHBondContact O-N 3.06Å; P524-A528 WeakPolarHBondContact O-CB 3.4Å; P524-A528 PolarHBondContact O-N 3.25Å |
| 525 | L | 90.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 172.8 | -179.3 | 62.5 | 0 | 0 | 0 | 111.8 | I487 L490 L506 L512 L521 I523 M527 A528 I529 | I487-L525 HydrophobicContact CD1-CB 4.33Å; L490-L525 HydrophobicContact CD1-CD1 4.33Å; L506-L525 HydrophobicContact CB-CD1 4.14Å; L506-L525 HydrophobicContact CB-CD2 4.01Å; L506-L525 HydrophobicContact CD1-CD1 3.81Å; L512-L525 HydrophobicContact CD1-CD2 3.69Å; L521-L525 WeakPolarHBondContact O-CB 3.39Å; L521-L525 PolarHBondContact O-N 2.78Å; I523-L525 PolarHBondContact O-N 3.44Å; L525-M527 VanDerWaalsContact C-N 3.35Å; L525-M527 PolarHBondContact O-N 2.89Å; L525-A528 WeakPolarHBondContact O-CB 3.26Å; L525-A528 PolarHBondContact O-N 3.41Å; L525-A528 VanDerWaalsContact O-N 3.16Å; L525-I529 HydrophobicContact CG-CD1 4.24Å; L525-I529 WeakPolarHBondContact O-CG1 3.26Å; L525-I529 PolarHBondContact O-N 3.4Å |
| 526 | A | 89.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T522 I523 A528 I529 L530 Y560 L590 | T522-A526 PolarHBondContact O-N 3.47Å; I523-A526 WeakPolarHBondContact O-CA 3.44Å; I523-A526 WeakPolarHBondContact O-CB 3.35Å; I523-A526 PolarHBondContact O-N 2.99Å; A526-A528 VanDerWaalsContact C-N 3.32Å; A526-A528 PolarHBondContact O-N 3.32Å; A526-I529 PolarHBondContact O-N 3.32Å; A526-L530 WeakPolarHBondContact O-CG 3.47Å; A526-L530 PolarHBondContact O-N 3.45Å; A526-Y560 HydrophobicContact CB-CE1 3.88Å; A526-L590 HydrophobicContact CB-CD2 3.46Å; A526-L590 VanDerWaalsContact CB-CD2 3.46Å |
| 527 | M | 89.5 | Confident | 87.9 | Confident | 61 Ų | 61 | 38.6 Ų | 38.6 | 30% | 0.3 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.4 | -69 | -169.3 | -64.5 | 0 | 0 | 111.7 | I523 P524 L525 I529 L530 R531 Y583 A586 | I523-M527 HydrophobicContact CG2-CE 4.45Å; I523-M527 HydrophobicContact CG2-CG 4.43Å; I523-M527 WeakPolarHBondContact O-CG 3.33Å; I523-M527 PolarHBondContact O-N 2.87Å; P524-M527 HydrophobicContact CB-CE 4.33Å; P524-M527 HydrophobicContact CG-CE 4.31Å; P524-M527 PolarHBondContact O-N 3.06Å; L525-M527 VanDerWaalsContact C-N 3.35Å; L525-M527 PolarHBondContact O-N 2.89Å; M527-I529 VanDerWaalsContact C-N 3.32Å; M527-I529 PolarHBondContact O-N 2.56Å; M527-L530 PolarHBondContact O-N 3.36Å; M527-R531 VanDerWaalsContact O-CB 3.22Å; M527-R531 WeakPolarHBondContact O-CB 3.29Å; M527-R531 PolarHBondContact O-N 3.22Å; M527-Y583 HydrophobicContact CE-CD1 3.95Å; M527-Y583 HydrophobicContact CE-CE1 3.41Å; M527-Y583 VanDerWaalsContact CE-CE1 3.41Å; M527-Y583 HydrophobicContact SD-CD1 3.74Å; M527-Y583 HydrophobicContact SD-CE1 3.68Å; M527-A586 HydrophobicContact CG-CB 3.65Å |
| 528 | A | 89.4 | Confident | 88 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 12% | 0.116 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I487 L490 P524 L525 A526 | I487-A528 HydrophobicContact CG2-CB 4.37Å; L490-A528 HydrophobicContact CB-CB 4.44Å; L490-A528 HydrophobicContact CD1-CB 4.03Å; P524-A528 WeakPolarHBondContact O-CB 3.4Å; P524-A528 PolarHBondContact O-N 3.25Å; L525-A528 WeakPolarHBondContact O-CB 3.26Å; L525-A528 PolarHBondContact O-N 3.41Å; L525-A528 VanDerWaalsContact O-N 3.16Å; A526-A528 VanDerWaalsContact C-N 3.32Å; A526-A528 PolarHBondContact O-N 3.32Å |
| 529 | I | 90.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -43.3 | 174.3 | -66.9 | 165.3 | 0 | 0 | 0 | 111 | Y503 L525 A526 M527 R531 L532 L540 W545 L590 | Y503-I529 HydrophobicContact CD1-CG1 3.73Å; Y503-I529 HydrophobicContact CE1-CG1 4.29Å; L525-I529 HydrophobicContact CG-CD1 4.24Å; L525-I529 WeakPolarHBondContact O-CG1 3.26Å; L525-I529 PolarHBondContact O-N 3.4Å; A526-I529 PolarHBondContact O-N 3.32Å; M527-I529 VanDerWaalsContact C-N 3.32Å; M527-I529 PolarHBondContact O-N 2.56Å; I529-R531 VanDerWaalsContact C-N 3.27Å; I529-R531 PolarHBondContact O-N 2.94Å; I529-L532 VanDerWaalsContact O-CB 3.31Å; I529-L532 WeakPolarHBondContact O-CB 3.07Å; I529-L532 WeakPolarHBondContact O-CG 3.2Å; I529-L532 PolarHBondContact O-N 2.78Å; I529-L540 HydrophobicContact CG2-CD2 3.95Å; I529-W545 HydrophobicContact CG2-CH2 4.19Å; I529-L590 HydrophobicContact CB-CD1 4.37Å; I529-L590 HydrophobicContact CG2-CD1 3.82Å |
| 530 | L | 89.3 | Confident | 88.2 | Confident | 40 Ų | 40 | 41 Ų | 41 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.8 | -25.3 | 179 | -70.1 | 175.6 | 0 | 0 | 0 | 113.5 | A526 M527 L532 A586 Q589 L590 K593 | A526-L530 WeakPolarHBondContact O-CG 3.47Å; A526-L530 PolarHBondContact O-N 3.45Å; M527-L530 PolarHBondContact O-N 3.36Å; L530-L532 PolarHBondContact O-N 3.36Å; L530-A586 HydrophobicContact CD1-CB 3.9Å; L530-A586 WeakPolarHBondContact CD1-O 3.48Å; L530-Q589 HydrophobicContact CD1-CB 3.83Å; L530-Q589 HydrophobicContact CD2-CB 4.06Å; L530-L590 HydrophobicContact CD2-CD1 4.39Å; L530-K593 HydrophobicContact CD2-CD 3.75Å |
| 531 | R | 90.7 | Very high | 87.9 | Confident | 128 Ų | 128 | 34.2 Ų | 34.2 | 48% | 0.483 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -5.9 | 177.9 | -163.9 | -171.7 | 139.9 | 154.2 | 11.6 | 113.1 | R492 M527 I529 | R492-R531 HydrophobicContact CG-CG 3.84Å; R492-R531 VanDerWaalsContact NE-CZ 3.29Å; R492-R531 VanDerWaalsContact NE-NH2 3.18Å; M527-R531 VanDerWaalsContact O-CB 3.22Å; M527-R531 WeakPolarHBondContact O-CB 3.29Å; M527-R531 PolarHBondContact O-N 3.22Å; I529-R531 VanDerWaalsContact C-N 3.27Å; I529-R531 PolarHBondContact O-N 2.94Å |
| 532 | L | 90.5 | Very high | 87.4 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -65.4 | 140.7 | 178.1 | -74.3 | 174.1 | 0 | 0 | 0 | 111.9 | R492 P494 Y503 I529 L530 P536 L540 | R492-L532 WeakPolarHBondContact O-CA 3.44Å; P494-L532 HydrophobicContact CG-CD2 4.05Å; Y503-L532 HydrophobicContact CE1-CD1 4.34Å; Y503-L532 HydrophobicContact CE1-CD2 4.47Å; Y503-L532 HydrophobicContact CE2-CD1 4.48Å; Y503-L532 HydrophobicContact CE2-CD2 4.13Å; Y503-L532 WeakPolarHBondContact OH-CD2 3.39Å; I529-L532 VanDerWaalsContact O-CB 3.31Å; I529-L532 WeakPolarHBondContact O-CB 3.07Å; I529-L532 WeakPolarHBondContact O-CG 3.2Å; I529-L532 PolarHBondContact O-N 2.78Å; L530-L532 PolarHBondContact O-N 3.36Å; L532-P536 HydrophobicContact CB-CB 4.28Å; L532-P536 HydrophobicContact CD2-CB 4.02Å; L532-L540 HydrophobicContact CD1-CD2 4.02Å |
| 533 | D | 89.6 | Confident | 87.3 | Confident | 70 Ų | 70 | 38.7 Ų | 38.7 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | trans | -63.1 | 162.3 | 174 | -67.5 | -22.7 | 0 | 0 | 0 | 111.7 | R492 S493 N535 P536 S537 | R492-D533 PolarHBondContact O-N 3.49Å; S493-D533 WeakPolarHBondContact CB-OD2 3.35Å; S493-D533 PolarHBondContact OG-OD2 2.71Å; D533-N535 VanDerWaalsContact C-N 3.26Å; D533-N535 PolarHBondContact O-N 3.38Å; D533-N535 VanDerWaalsContact O-N 3.12Å; D533-P536 HydrophobicContact CB-CG 4.37Å; D533-P536 WeakPolarHBondContact O-CD 3.37Å; D533-S537 WeakPolarHBondContact O-CB 3.27Å; D533-S537 PolarHBondContact O-N 2.91Å | ||
| 534 | A | 86.8 | Confident | 87.3 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 59% | 0.587 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -53.5 | -38.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K538 | A534-K538 WeakPolarHBondContact O-CB 3.46Å; A534-K538 WeakPolarHBondContact O-CG 3.44Å; A534-K538 PolarHBondContact O-N 3.34Å |
| 535 | N | 87.3 | Confident | 87.2 | Confident | 122 Ų | 122 | 37.7 Ų | 37.7 | 65% | 0.652 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -70.7 | -58.1 | -179.3 | -70.8 | -21.8 | 0 | 0 | 0 | 112.3 | D533 S537 K538 V539 | D533-N535 VanDerWaalsContact C-N 3.26Å; D533-N535 PolarHBondContact O-N 3.38Å; D533-N535 VanDerWaalsContact O-N 3.12Å; N535-S537 VanDerWaalsContact C-N 3.29Å; N535-S537 PolarHBondContact O-N 3.41Å; N535-K538 PolarHBondContact O-N 3.24Å; N535-K538 VanDerWaalsContact O-N 3.13Å; N535-V539 WeakPolarHBondContact O-CG2 3.24Å; N535-V539 PolarHBondContact O-N 2.78Å; N535-V539 VanDerWaalsContact O-N 3.1Å |
| 536 | P | 86.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -50.7 | -43.8 | 171.1 | -30.8 | 35.3 | 0 | 0 | 0 | 114.1 | M500 L532 D533 K538 V539 L540 | M500-P536 HydrophobicContact SD-CB 3.58Å; M500-P536 VanDerWaalsContact SD-CB 3.58Å; M500-P536 HydrophobicContact SD-CG 4.38Å; L532-P536 HydrophobicContact CB-CB 4.28Å; L532-P536 HydrophobicContact CD2-CB 4.02Å; D533-P536 HydrophobicContact CB-CG 4.37Å; D533-P536 WeakPolarHBondContact O-CD 3.37Å; P536-K538 VanDerWaalsContact C-N 3.34Å; P536-K538 PolarHBondContact O-N 2.93Å; P536-V539 PolarHBondContact O-N 3.17Å; P536-L540 PolarHBondContact O-N 2.86Å |
| 537 | S | 88.3 | Confident | 86.4 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | D533 N535 V541 K593 | D533-S537 WeakPolarHBondContact O-CB 3.27Å; D533-S537 PolarHBondContact O-N 2.91Å; N535-S537 VanDerWaalsContact C-N 3.29Å; N535-S537 PolarHBondContact O-N 3.41Å; S537-V541 WeakPolarHBondContact O-CB 3.44Å; S537-V541 WeakPolarHBondContact O-CG2 3.47Å; S537-V541 PolarHBondContact O-N 3.49Å; S537-K593 PolarHBondContact OG-NZ 3.32Å |
| 538 | K | 86.6 | Confident | 86 | Confident | 114 Ų | 114 | 43.7 Ų | 43.7 | 50% | 0.496 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 174.9 | -74.4 | 174.8 | 178.6 | -175.7 | 0 | 111.3 | A534 N535 P536 D542 N543 | A534-K538 WeakPolarHBondContact O-CB 3.46Å; A534-K538 WeakPolarHBondContact O-CG 3.44Å; A534-K538 PolarHBondContact O-N 3.34Å; N535-K538 PolarHBondContact O-N 3.24Å; N535-K538 VanDerWaalsContact O-N 3.13Å; P536-K538 VanDerWaalsContact C-N 3.34Å; P536-K538 PolarHBondContact O-N 2.93Å; K538-D542 WeakPolarHBondContact CG-OD2 3.38Å; K538-D542 WeakPolarHBondContact O-CA 3.47Å; K538-D542 WeakPolarHBondContact O-CB 3.33Å; K538-D542 PolarHBondContact O-N 2.74Å; K538-N543 PolarHBondContact O-N 2.87Å |
| 539 | V | 85.9 | Confident | 85.6 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -62.2 | -48 | 178 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | P449 V497 M500 N535 P536 N543 W544 | P449-V539 HydrophobicContact CB-CG1 4.14Å; P449-V539 HydrophobicContact CB-CG2 3.9Å; P449-V539 HydrophobicContact CG-CG2 4.45Å; P449-V539 WeakPolarHBondContact O-CG1 3.49Å; V497-V539 HydrophobicContact CG1-CG1 4.29Å; M500-V539 HydrophobicContact CE-CB 3.43Å; M500-V539 VanDerWaalsContact CE-CB 3.43Å; M500-V539 HydrophobicContact CE-CG1 3.21Å; M500-V539 HydrophobicContact CE-CG2 4.13Å; N535-V539 WeakPolarHBondContact O-CG2 3.24Å; N535-V539 PolarHBondContact O-N 2.78Å; N535-V539 VanDerWaalsContact O-N 3.1Å; P536-V539 PolarHBondContact O-N 3.17Å; V539-N543 WeakPolarHBondContact O-CB 3.27Å; V539-N543 PolarHBondContact O-N 2.87Å; V539-W544 HydrophobicContact CG1-CD2 4.15Å; V539-W544 HydrophobicContact CG1-CZ2 4.02Å; V539-W544 PolarHBondContact O-N 2.94Å |
| 540 | L | 84.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -67.7 | -50.1 | -179.3 | -175.2 | 66.2 | 0 | 0 | 0 | 111.7 | L504 I529 L532 P536 W544 W545 | L504-L540 HydrophobicContact CD2-CD1 3.78Å; L504-L540 HydrophobicContact CG-CD1 4.2Å; I529-L540 HydrophobicContact CG2-CD2 3.95Å; L532-L540 HydrophobicContact CD1-CD2 4.02Å; P536-L540 PolarHBondContact O-N 2.86Å; L540-W544 HydrophobicContact CD1-CE3 3.83Å; L540-W544 HydrophobicContact CD1-CZ3 4.45Å; L540-W545 HydrophobicContact CD2-CZ2 4.09Å; L540-W545 HydrophobicContact CG-CZ2 4.18Å; L540-W545 PolarHBondContact O-N 3.21Å |
| 541 | V | 78.9 | Confident | 84.9 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -82.5 | -53.9 | -171.5 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | S537 W545 K593 V597 | S537-V541 WeakPolarHBondContact O-CB 3.44Å; S537-V541 WeakPolarHBondContact O-CG2 3.47Å; S537-V541 PolarHBondContact O-N 3.49Å; V541-W545 HydrophobicContact CB-CE3 4.34Å; V541-W545 HydrophobicContact CG1-CE3 4.31Å; V541-W545 HydrophobicContact CG2-CE3 4.06Å; V541-W545 HydrophobicContact CG2-CZ3 3.9Å; V541-K593 HydrophobicContact CG1-CB 4.4Å; V541-K593 HydrophobicContact CG2-CD 4.16Å; V541-V597 HydrophobicContact CB-CG2 4.4Å; V541-V597 HydrophobicContact CG1-CG2 3.36Å; V541-V597 WeakPolarHBondContact O-CG2 3.47Å |
| 542 | D | 76.1 | Confident | 84.6 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -78.8 | -25.4 | -171.9 | -58.3 | -28.4 | 0 | 0 | 0 | 113.1 | K538 C546 R600 | K538-D542 WeakPolarHBondContact CG-OD2 3.38Å; K538-D542 WeakPolarHBondContact O-CA 3.47Å; K538-D542 WeakPolarHBondContact O-CB 3.33Å; K538-D542 PolarHBondContact O-N 2.74Å; D542-C546 PolarHBondContact O-SG 2.71Å; D542-R600 IonicContact OD1-CZ 3.91Å; D542-R600 IonicContact OD1-NH1 3.08Å; D542-R600 PolarHBondContact OD1-NH1 3Å; D542-R600 IonicContact OD1-NH2 3.46Å; D542-R600 IonicContact OD2-NH1 3.85Å |
| 543 | N | 85 | Confident | 84.5 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -108.4 | -70.6 | -179.8 | -56.4 | -37.3 | 0 | 0 | 0 | 111.5 | P449 K538 V539 W545 C546 F547 | P449-N543 WeakPolarHBondContact O-CB 3.29Å; P449-N543 PolarHBondContact O-ND2 2.89Å; K538-N543 PolarHBondContact O-N 2.87Å; V539-N543 WeakPolarHBondContact O-CB 3.27Å; V539-N543 PolarHBondContact O-N 2.87Å; N543-W545 PolarHBondContact O-N 3.39Å; N543-C546 WeakPolarHBondContact O-CB 3.45Å; N543-C546 PolarHBondContact O-N 3.02Å; N543-F547 WeakPolarHBondContact O-CD2 3.32Å; N543-F547 PolarHBondContact O-N 3.37Å |
| 544 | W | 87.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -62.4 | -48.7 | -167 | -67.6 | -11.6 | 0 | 0 | 0 | 112.6 | N448 P449 P452 V497 M500 L504 V539 L540 C546 F547 M548 | N448-W544 PolarHBondContact O-NE1 2.71Å; P449-W544 PolarHBondContact O-NE1 3.41Å; P452-W544 HydrophobicContact CB-CD2 4Å; P452-W544 HydrophobicContact CB-CE3 4.38Å; P452-W544 HydrophobicContact CB-CG 4.43Å; P452-W544 HydrophobicContact CB-CH2 4.28Å; P452-W544 HydrophobicContact CB-CZ2 3.93Å; V497-W544 HydrophobicContact CB-CZ2 4.23Å; V497-W544 WeakPolarHBondContact O-CH2 3.47Å; M500-W544 HydrophobicContact CB-CH2 3.69Å; M500-W544 HydrophobicContact CB-CZ3 3.62Å; M500-W544 HydrophobicContact CE-CH2 4.03Å; M500-W544 HydrophobicContact CE-CZ2 4.41Å; M500-W544 HydrophobicContact CE-CZ3 4.24Å; L504-W544 HydrophobicContact CD1-CB 4.49Å; L504-W544 HydrophobicContact CD1-CD2 4.19Å; L504-W544 HydrophobicContact CD1-CE3 3.6Å; L504-W544 HydrophobicContact CD1-CZ3 4.08Å; L504-W544 HydrophobicContact CG-CE3 4.05Å; L504-W544 HydrophobicContact CG-CZ3 4.44Å; V539-W544 HydrophobicContact CG1-CD2 4.15Å; V539-W544 HydrophobicContact CG1-CZ2 4.02Å; V539-W544 PolarHBondContact O-N 2.94Å; L540-W544 HydrophobicContact CD1-CE3 3.83Å; L540-W544 HydrophobicContact CD1-CZ3 4.45Å; W544-C546 VanDerWaalsContact C-N 3.26Å; W544-C546 PolarHBondContact O-N 2.71Å; W544-F547 PolarHBondContact O-N 2.64Å; W544-F547 VanDerWaalsContact O-N 3.13Å; W544-M548 WeakPolarHBondContact O-CG 3.48Å; W544-M548 PolarHBondContact O-N 3.21Å |
| 545 | W | 87.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -62.5 | -28.7 | 178.8 | -71.9 | -10.4 | 0 | 0 | 0 | 114.3 | I529 L540 V541 N543 F547 M556 L590 L594 V597 H603 | I529-W545 HydrophobicContact CG2-CH2 4.19Å; L540-W545 HydrophobicContact CD2-CZ2 4.09Å; L540-W545 HydrophobicContact CG-CZ2 4.18Å; L540-W545 PolarHBondContact O-N 3.21Å; V541-W545 HydrophobicContact CB-CE3 4.34Å; V541-W545 HydrophobicContact CG1-CE3 4.31Å; V541-W545 HydrophobicContact CG2-CE3 4.06Å; V541-W545 HydrophobicContact CG2-CZ3 3.9Å; N543-W545 PolarHBondContact O-N 3.39Å; W545-F547 VanDerWaalsContact C-N 3.3Å; W545-F547 PolarHBondContact O-N 3.14Å; W545-M556 HydrophobicContact CD2-CE 4.11Å; W545-M556 HydrophobicContact CG-CE 4.4Å; W545-M556 HydrophobicContact CZ2-CE 4.15Å; W545-M556 HydrophobicContact CZ2-SD 4.39Å; W545-L590 HydrophobicContact CH2-CD1 3.94Å; W545-L590 HydrophobicContact CZ3-CD1 4.49Å; W545-L594 HydrophobicContact CD2-CD2 4.29Å; W545-L594 HydrophobicContact CE3-CD2 3.66Å; W545-L594 HydrophobicContact CH2-CD2 4.08Å; W545-L594 HydrophobicContact CZ3-CD2 3.54Å; W545-L594 HydrophobicContact CZ3-CG 4.32Å; W545-V597 HydrophobicContact CB-CG1 4Å; W545-V597 HydrophobicContact CB-CG2 4.31Å; W545-V597 HydrophobicContact CE3-CG2 4.19Å; W545-H603 PolarHBondContact O-NE2 3.34Å |
| 546 | C | 84.3 | Confident | 84.5 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -70.3 | -22.2 | 176.2 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | D542 N543 W544 A601 H603 | D542-C546 PolarHBondContact O-SG 2.71Å; N543-C546 WeakPolarHBondContact O-CB 3.45Å; N543-C546 PolarHBondContact O-N 3.02Å; W544-C546 VanDerWaalsContact C-N 3.26Å; W544-C546 PolarHBondContact O-N 2.71Å; C546-A601 HydrophobicContact CB-CB 4.13Å; C546-H603 WeakPolarHBondContact CA-NE2 3.5Å; C546-H603 PolarHBondContact O-CE1 3.17Å; C546-H603 PolarHBondContact O-NE2 2.77Å |
| 547 | F | 80.3 | Confident | 84.7 | Confident | 149 Ų | 149 | 35.7 Ų | 35.7 | 65% | 0.654 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -102.5 | 3.9 | -178.5 | -64.8 | -65.4 | 0 | 0 | 0 | 113.2 | N543 W544 W545 | N543-F547 WeakPolarHBondContact O-CD2 3.32Å; N543-F547 PolarHBondContact O-N 3.37Å; W544-F547 PolarHBondContact O-N 2.64Å; W544-F547 VanDerWaalsContact O-N 3.13Å; W545-F547 VanDerWaalsContact C-N 3.3Å; W545-F547 PolarHBondContact O-N 3.14Å |
| 548 | M | 80.4 | Confident | 84.8 | Confident | 17 Ų | 17 | 36.5 Ų | 36.5 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -85.8 | 159.9 | -176.6 | -63.5 | -97.2 | -71.2 | 0 | 0 | 111.3 | L456 L504 W544 F552 H603 | L456-M548 HydrophobicContact CD1-CE 3.6Å; L456-M548 HydrophobicContact CD1-SD 3.4Å; L456-M548 WeakPolarHBondContact CD1-SD 3.3Å; L504-M548 HydrophobicContact CD2-CE 4.01Å; L504-M548 HydrophobicContact CD2-SD 4.44Å; W544-M548 WeakPolarHBondContact O-CG 3.48Å; W544-M548 PolarHBondContact O-N 3.21Å; M548-F552 HydrophobicContact CB-CD1 3.95Å; M548-F552 HydrophobicContact CE-CB 4.42Å; M548-F552 HydrophobicContact CE-CD1 3.18Å; M548-F552 HydrophobicContact CE-CD2 3.77Å; M548-F552 HydrophobicContact CE-CE1 3.06Å; M548-F552 HydrophobicContact CE-CE2 3.66Å; M548-F552 HydrophobicContact CE-CG 3.52Å; M548-F552 HydrophobicContact CE-CZ 3.3Å; M548-F552 HydrophobicContact CG-CD1 4.35Å; M548-H603 PolarHBondContact O-CE1 2.66Å |
| 549 | D | 80.5 | Confident | 84.9 | Confident | 85 Ų | 85 | 31.5 Ų | 31.5 | 46% | 0.455 | 17% | 0.17 | S | C | . | . | trans | -59.9 | 141.5 | 177.5 | -54.9 | -36 | 0 | 0 | 0 | 111.8 | R460 S551 F552 F553 | R460-D549 IonicContact NH1-OD2 2.77Å; R460-D549 IonicContact NH2-OD2 3.44Å; D549-S551 PolarHBondContact O-N 3.2Å; D549-S551 VanDerWaalsContact O-N 3.1Å; D549-F552 WeakPolarHBondContact O-CB 3.23Å; D549-F552 PolarHBondContact O-N 3.11Å; D549-F553 PolarHBondContact O-N 2.96Å; D549-F553 VanDerWaalsContact O-N 3.16Å | ||
| 550 | G | 82 | Confident | 85.1 | Confident | 30 Ų | 30 | 30.8 Ų | 30.8 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.1 | -27.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F553 T554 | G550-F553 PolarHBondContact O-N 3.48Å; G550-T554 WeakPolarHBondContact O-CB 3.37Å; G550-T554 PolarHBondContact O-N 3.06Å; G550-T554 PolarHBondContact O-OG1 3.14Å |
| 551 | S | 84.1 | Confident | 85.3 | Confident | 65 Ų | 65 | 31.9 Ų | 31.9 | 46% | 0.455 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.9 | -37 | 176 | 65.5 | 0 | 0 | 0 | 0 | 113.2 | D549 R555 | D549-S551 PolarHBondContact O-N 3.2Å; D549-S551 VanDerWaalsContact O-N 3.1Å; S551-R555 WeakPolarHBondContact O-CG 3.26Å; S551-R555 PolarHBondContact O-N 2.95Å; S551-R555 PolarHBondContact O-NE 2.88Å |
| 552 | F | 84.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.9 | -48.6 | 172 | 170 | -97.9 | 0 | 0 | 0 | 110.2 | E508 M548 D549 T554 R555 M556 | E508-F552 HydrophobicContact CG-CD2 4.28Å; E508-F552 HydrophobicContact CG-CE2 4.09Å; E508-F552 WeakPolarHBondContact OE1-CD2 3.2Å; M548-F552 HydrophobicContact CB-CD1 3.95Å; M548-F552 HydrophobicContact CE-CB 4.42Å; M548-F552 HydrophobicContact CE-CD1 3.18Å; M548-F552 HydrophobicContact CE-CD2 3.77Å; M548-F552 HydrophobicContact CE-CE1 3.06Å; M548-F552 HydrophobicContact CE-CE2 3.66Å; M548-F552 HydrophobicContact CE-CG 3.52Å; M548-F552 HydrophobicContact CE-CZ 3.3Å; M548-F552 HydrophobicContact CG-CD1 4.35Å; D549-F552 WeakPolarHBondContact O-CB 3.23Å; D549-F552 PolarHBondContact O-N 3.11Å; F552-T554 VanDerWaalsContact C-N 3.34Å; F552-T554 PolarHBondContact O-N 3.15Å; F552-R555 PolarHBondContact O-N 2.75Å; F552-M556 HydrophobicContact CD1-CE 4.09Å; F552-M556 HydrophobicContact CE1-CE 3.28Å; F552-M556 HydrophobicContact CE1-CG 4.09Å; F552-M556 HydrophobicContact CE1-SD 3.64Å; F552-M556 HydrophobicContact CE2-CG 4.27Å; F552-M556 HydrophobicContact CE2-SD 4.26Å; F552-M556 HydrophobicContact CZ-CE 3.77Å; F552-M556 HydrophobicContact CZ-CG 3.94Å; F552-M556 HydrophobicContact CZ-SD 3.44Å; F552-M556 WeakPolarHBondContact CZ-SD 3.35Å; F552-M556 PolarHBondContact O-N 3.06Å; F552-M556 VanDerWaalsContact O-N 3.11Å |
| 553 | F | 87.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | -178.2 | -164.7 | -91.7 | 0 | 0 | 0 | 111.8 | D549 G550 R555 M556 V557 L594 V597 N598 H603 V604 F609 | D549-F553 PolarHBondContact O-N 2.96Å; D549-F553 VanDerWaalsContact O-N 3.16Å; G550-F553 PolarHBondContact O-N 3.48Å; F553-R555 PolarHBondContact O-N 3.49Å; F553-M556 PolarHBondContact O-N 3.4Å; F553-V557 HydrophobicContact CD1-CG2 3.99Å; F553-V557 HydrophobicContact CE1-CG2 3.67Å; F553-V557 HydrophobicContact CZ-CG2 4.28Å; F553-V557 WeakPolarHBondContact O-CG2 3.49Å; F553-V557 PolarHBondContact O-N 3.16Å; F553-L594 HydrophobicContact CE2-CB 4.46Å; F553-L594 HydrophobicContact CE2-CD2 3.94Å; F553-L594 HydrophobicContact CZ-CB 4.09Å; F553-L594 HydrophobicContact CZ-CD2 4.39Å; F553-L594 VanDerWaalsContact CZ-O 3.3Å; F553-L594 WeakPolarHBondContact CZ-O 3.4Å; F553-V597 HydrophobicContact CD2-CG1 4.48Å; F553-V597 HydrophobicContact CE2-CB 4.06Å; F553-V597 HydrophobicContact CE2-CG1 3.71Å; F553-V597 HydrophobicContact CZ-CB 4.41Å; F553-V597 HydrophobicContact CZ-CG1 4.36Å; F553-N598 HydrophobicContact CE1-CB 3.91Å; F553-N598 HydrophobicContact CZ-CB 3.89Å; F553-H603 HydrophobicContact CB-CB 4.02Å; F553-H603 HydrophobicContact CD1-CB 3.72Å; F553-H603 AromaticContact CD2-CD2 3.72Å; F553-H603 HydrophobicContact CE1-CB 4.33Å; F553-H603 HydrophobicContact CG-CB 3.83Å; F553-H603 AromaticContact CG-CD2 3.86Å; F553-V604 HydrophobicContact CD1-CG1 4Å; F553-V604 HydrophobicContact CD1-CG2 3.88Å; F553-V604 HydrophobicContact CE1-CG2 3.77Å; F553-F609 HydrophobicContact CE1-CE2 4.41Å; F553-F609 AromaticContact CE1-CZ 3.88Å; F553-F609 HydrophobicContact CE1-CZ 3.88Å; F553-F609 HydrophobicContact CZ-CZ 4.22Å |
| 554 | T | 88.5 | Confident | 86.3 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | 175.5 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | G550 F552 M556 V557 D558 V604 | G550-T554 WeakPolarHBondContact O-CB 3.37Å; G550-T554 PolarHBondContact O-N 3.06Å; G550-T554 PolarHBondContact O-OG1 3.14Å; F552-T554 VanDerWaalsContact C-N 3.34Å; F552-T554 PolarHBondContact O-N 3.15Å; T554-M556 PolarHBondContact O-N 3.32Å; T554-V557 PolarHBondContact O-N 3.3Å; T554-D558 WeakPolarHBondContact O-CB 3.23Å; T554-D558 PolarHBondContact O-N 2.89Å; T554-V604 VanDerWaalsContact OG1-CG1 3.23Å; T554-V604 WeakPolarHBondContact OG1-CG1 3.46Å |
| 555 | R | 87.8 | Confident | 86.2 | Confident | 82 Ų | 82 | 35.6 Ų | 35.6 | 31% | 0.309 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 178.7 | -75.8 | -176.9 | -66.4 | 148.9 | 7.1 | 112.3 | E508 S551 F552 F553 M559 | E508-R555 IonicContact OE1-CZ 2.68Å; E508-R555 IonicContact OE1-NH2 2.72Å; E508-R555 PolarHBondContact OE1-NH2 2.94Å; E508-R555 IonicContact OE2-CZ 3.67Å; E508-R555 IonicContact OE2-NH1 2.65Å; E508-R555 PolarHBondContact OE2-NH1 3.26Å; E508-R555 IonicContact OE2-NH2 3.36Å; E508-R555 PolarHBondContact OE2-NH2 3.21Å; S551-R555 WeakPolarHBondContact O-CG 3.26Å; S551-R555 PolarHBondContact O-N 2.95Å; S551-R555 PolarHBondContact O-NE 2.88Å; F552-R555 PolarHBondContact O-N 2.75Å; F553-R555 PolarHBondContact O-N 3.49Å; R555-M559 WeakPolarHBondContact O-CB 3.36Å; R555-M559 PolarHBondContact O-N 3.19Å |
| 556 | M | 88.5 | Confident | 86 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 176.8 | -71.9 | -151.6 | -57.4 | 0 | 0 | 112 | W545 F552 F553 T554 M559 Y560 L594 | W545-M556 HydrophobicContact CD2-CE 4.11Å; W545-M556 HydrophobicContact CG-CE 4.4Å; W545-M556 HydrophobicContact CZ2-CE 4.15Å; W545-M556 HydrophobicContact CZ2-SD 4.39Å; F552-M556 HydrophobicContact CD1-CE 4.09Å; F552-M556 HydrophobicContact CE1-CE 3.28Å; F552-M556 HydrophobicContact CE1-CG 4.09Å; F552-M556 HydrophobicContact CE1-SD 3.64Å; F552-M556 HydrophobicContact CE2-CG 4.27Å; F552-M556 HydrophobicContact CE2-SD 4.26Å; F552-M556 HydrophobicContact CZ-CE 3.77Å; F552-M556 HydrophobicContact CZ-CG 3.94Å; F552-M556 HydrophobicContact CZ-SD 3.44Å; F552-M556 WeakPolarHBondContact CZ-SD 3.35Å; F552-M556 PolarHBondContact O-N 3.06Å; F552-M556 VanDerWaalsContact O-N 3.11Å; F553-M556 PolarHBondContact O-N 3.4Å; T554-M556 PolarHBondContact O-N 3.32Å; M556-M559 PolarHBondContact O-N 2.87Å; M556-Y560 WeakPolarHBondContact O-CD2 3.43Å; M556-Y560 PolarHBondContact O-N 2.99Å; M556-L594 HydrophobicContact CB-CD1 4.19Å; M556-L594 HydrophobicContact CE-CD2 3.45Å; M556-L594 VanDerWaalsContact CE-CD2 3.45Å |
| 557 | V | 90.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | F553 T554 M559 Y560 K561 L594 F609 | F553-V557 HydrophobicContact CD1-CG2 3.99Å; F553-V557 HydrophobicContact CE1-CG2 3.67Å; F553-V557 HydrophobicContact CZ-CG2 4.28Å; F553-V557 WeakPolarHBondContact O-CG2 3.49Å; F553-V557 PolarHBondContact O-N 3.16Å; T554-V557 PolarHBondContact O-N 3.3Å; V557-M559 VanDerWaalsContact C-N 3.33Å; V557-M559 PolarHBondContact O-N 3.32Å; V557-Y560 PolarHBondContact O-N 3.29Å; V557-K561 HydrophobicContact CG1-CD 3.83Å; V557-K561 HydrophobicContact CG1-CG 4.34Å; V557-K561 WeakPolarHBondContact O-CB 3.44Å; V557-K561 VanDerWaalsContact O-CG 3.22Å; V557-K561 WeakPolarHBondContact O-CG 3.5Å; V557-K561 PolarHBondContact O-N 3.49Å; V557-L594 HydrophobicContact CG2-CB 4.48Å; V557-L594 HydrophobicContact CG2-CD1 4.26Å; V557-F609 HydrophobicContact CG1-CD1 3.97Å; V557-F609 HydrophobicContact CG1-CE1 3.97Å; V557-F609 HydrophobicContact CG1-CG 4.34Å; V557-F609 HydrophobicContact CG1-CZ 4.33Å; V557-F609 HydrophobicContact CG2-CE1 3.73Å; V557-F609 HydrophobicContact CG2-CE2 4.44Å; V557-F609 HydrophobicContact CG2-CZ 3.66Å |
| 558 | D | 89.2 | Confident | 85.8 | Confident | 29 Ų | 29 | 30.8 Ų | 30.8 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 179.8 | -74.5 | -15 | 0 | 0 | 0 | 112.3 | T554 R562 R608 | T554-D558 WeakPolarHBondContact O-CB 3.23Å; T554-D558 PolarHBondContact O-N 2.89Å; D558-R562 VanDerWaalsContact O-CG 3.25Å; D558-R562 WeakPolarHBondContact O-CG 3.33Å; D558-R562 PolarHBondContact O-N 3.36Å; D558-R608 IonicContact OD1-CZ 3.15Å; D558-R608 IonicContact OD1-NE 3.27Å; D558-R608 PolarHBondContact OD1-NE 2.98Å; D558-R608 IonicContact OD1-NH2 3.45Å; D558-R608 PolarHBondContact OD1-NH2 2.95Å; D558-R608 IonicContact OD2-CZ 3.98Å; D558-R608 IonicContact OD2-NE 2.73Å; D558-R608 IonicContact OD2-NH2 3.96Å; D558-R608 PolarHBondContact OD2-NH2 3.34Å |
| 559 | M | 89.3 | Confident | 85.7 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -51.7 | 177.2 | -179.5 | -178.2 | 70.2 | 0 | 0 | 111.7 | L512 T522 R555 M556 V557 K561 R562 I563 | L512-M559 HydrophobicContact CB-SD 3.67Å; T522-M559 HydrophobicContact CG2-CE 3.74Å; T522-M559 HydrophobicContact CG2-CG 4.18Å; T522-M559 HydrophobicContact CG2-SD 3.7Å; R555-M559 WeakPolarHBondContact O-CB 3.36Å; R555-M559 PolarHBondContact O-N 3.19Å; M556-M559 PolarHBondContact O-N 2.87Å; V557-M559 VanDerWaalsContact C-N 3.33Å; V557-M559 PolarHBondContact O-N 3.32Å; M559-K561 VanDerWaalsContact C-N 3.35Å; M559-K561 PolarHBondContact O-N 2.97Å; M559-R562 PolarHBondContact O-N 2.98Å; M559-I563 HydrophobicContact CG-CD1 4.43Å; M559-I563 WeakPolarHBondContact O-CG1 3.37Å; M559-I563 PolarHBondContact O-N 3.42Å; M559-I563 VanDerWaalsContact O-N 3.15Å |
| 560 | Y | 89.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70 | -31.9 | -179.2 | -70.3 | -64.6 | 0 | 0 | 0 | 112.5 | T522 A526 M556 V557 I563 V564 T587 L590 L594 | T522-Y560 HydrophobicContact CG2-CE1 3.99Å; A526-Y560 HydrophobicContact CB-CE1 3.88Å; M556-Y560 WeakPolarHBondContact O-CD2 3.43Å; M556-Y560 PolarHBondContact O-N 2.99Å; V557-Y560 PolarHBondContact O-N 3.29Å; Y560-I563 HydrophobicContact CD1-CD1 3.8Å; Y560-I563 HydrophobicContact CE1-CD1 4.16Å; Y560-I563 WeakPolarHBondContact O-CB 3.42Å; Y560-I563 PolarHBondContact O-N 2.96Å; Y560-V564 WeakPolarHBondContact O-CG2 3.37Å; Y560-V564 PolarHBondContact O-N 3.23Å; Y560-T587 HydrophobicContact CD1-CG2 4.17Å; Y560-L590 HydrophobicContact CD1-CD2 4.09Å; Y560-L590 HydrophobicContact CD2-CD2 4.02Å; Y560-L590 HydrophobicContact CE1-CD2 3.48Å; Y560-L590 VanDerWaalsContact CE1-CD2 3.48Å; Y560-L590 HydrophobicContact CE2-CD2 3.38Å; Y560-L590 HydrophobicContact CE2-CG 4.25Å; Y560-L590 HydrophobicContact CG-CD2 4.35Å; Y560-L590 VanDerWaalsContact OH-CD2 3.24Å; Y560-L590 WeakPolarHBondContact OH-CD2 3.36Å; Y560-L594 HydrophobicContact CD2-CD1 3.93Å; Y560-L594 HydrophobicContact CE2-CD1 4.48Å |
| 561 | K | 89.8 | Confident | 83.9 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 11% | 0.109 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 169.7 | -75.3 | 176 | 69.2 | -173 | 0 | 112.3 | V557 M559 I563 V564 V565 L591 R608 Y610 | V557-K561 HydrophobicContact CG1-CD 3.83Å; V557-K561 HydrophobicContact CG1-CG 4.34Å; V557-K561 WeakPolarHBondContact O-CB 3.44Å; V557-K561 VanDerWaalsContact O-CG 3.22Å; V557-K561 WeakPolarHBondContact O-CG 3.5Å; V557-K561 PolarHBondContact O-N 3.49Å; M559-K561 VanDerWaalsContact C-N 3.35Å; M559-K561 PolarHBondContact O-N 2.97Å; K561-I563 PolarHBondContact O-N 3.15Å; K561-V564 PolarHBondContact O-N 3.27Å; K561-V564 VanDerWaalsContact O-N 3.17Å; K561-V565 WeakPolarHBondContact O-CG2 3.37Å; K561-V565 PolarHBondContact O-N 3.23Å; K561-L591 HydrophobicContact CG-CD2 4.39Å; K561-R608 WeakPolarHBondContact CD-O 3.35Å; K561-R608 WeakPolarHBondContact CE-O 3.21Å; K561-R608 PolarHBondContact NZ-O 3.11Å; K561-Y610 WeakPolarHBondContact CE-O 3.38Å; K561-Y610 PolarHBondContact NZ-O 3.25Å |
| 562 | R | 87.6 | Confident | 82.7 | Confident | 139 Ų | 139 | 34.1 Ų | 34.1 | 53% | 0.525 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.6 | -33.4 | 176.5 | -72.9 | 171.5 | -175.3 | -171.2 | 3.3 | 112.1 | Y518 D558 M559 F566 | Y518-R562 WeakPolarHBondContact OH-CB 3.34Å; D558-R562 VanDerWaalsContact O-CG 3.25Å; D558-R562 WeakPolarHBondContact O-CG 3.33Å; D558-R562 PolarHBondContact O-N 3.36Å; M559-R562 PolarHBondContact O-N 2.98Å; R562-F566 VanDerWaalsContact O-CB 3.29Å; R562-F566 WeakPolarHBondContact O-CB 3.43Å; R562-F566 PolarHBondContact O-N 3.44Å |
| 563 | I | 85.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.9 | -43.9 | 175.2 | -66.5 | 164.6 | 0 | 0 | 0 | 111.1 | Y518 T522 I523 M559 Y560 K561 V565 F566 M567 T587 | Y518-I563 HydrophobicContact CD1-CD1 4.12Å; Y518-I563 HydrophobicContact CD1-CG1 3.75Å; Y518-I563 HydrophobicContact CD2-CB 4.47Å; Y518-I563 HydrophobicContact CD2-CG1 3.71Å; Y518-I563 HydrophobicContact CE1-CD1 4.44Å; Y518-I563 HydrophobicContact CE1-CG1 3.95Å; Y518-I563 HydrophobicContact CE2-CG1 3.92Å; Y518-I563 HydrophobicContact CG-CD1 4.33Å; Y518-I563 HydrophobicContact CG-CG1 3.63Å; T522-I563 HydrophobicContact CG2-CD1 3.45Å; T522-I563 VanDerWaalsContact CG2-CD1 3.45Å; I523-I563 HydrophobicContact CD1-CG2 3.84Å; I523-I563 HydrophobicContact CG1-CG2 3.94Å; M559-I563 HydrophobicContact CG-CD1 4.43Å; M559-I563 WeakPolarHBondContact O-CG1 3.37Å; M559-I563 PolarHBondContact O-N 3.42Å; M559-I563 VanDerWaalsContact O-N 3.15Å; Y560-I563 HydrophobicContact CD1-CD1 3.8Å; Y560-I563 HydrophobicContact CE1-CD1 4.16Å; Y560-I563 WeakPolarHBondContact O-CB 3.42Å; Y560-I563 PolarHBondContact O-N 2.96Å; K561-I563 PolarHBondContact O-N 3.15Å; I563-V565 VanDerWaalsContact C-N 3.34Å; I563-V565 PolarHBondContact O-N 3.11Å; I563-F566 PolarHBondContact O-N 3.45Å; I563-M567 HydrophobicContact CG2-CG 4.46Å; I563-M567 WeakPolarHBondContact O-CG 3.17Å; I563-M567 PolarHBondContact O-N 3.38Å; I563-T587 HydrophobicContact CB-CG2 4.03Å; I563-T587 HydrophobicContact CG2-CG2 3.76Å |
| 564 | V | 86.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | Y560 K561 F566 M567 L568 F584 T587 L588 L591 I611 | Y560-V564 WeakPolarHBondContact O-CG2 3.37Å; Y560-V564 PolarHBondContact O-N 3.23Å; K561-V564 PolarHBondContact O-N 3.27Å; K561-V564 VanDerWaalsContact O-N 3.17Å; V564-F566 PolarHBondContact O-N 2.99Å; V564-M567 PolarHBondContact O-N 2.81Å; V564-L568 HydrophobicContact CG1-CD1 4.07Å; V564-L568 WeakPolarHBondContact O-CG 3.5Å; V564-L568 PolarHBondContact O-N 3.06Å; V564-F584 HydrophobicContact CG1-CE2 3.91Å; V564-F584 HydrophobicContact CG1-CZ 4.29Å; V564-T587 HydrophobicContact CG2-CG2 3.68Å; V564-L588 HydrophobicContact CG1-CD2 4.33Å; V564-L588 HydrophobicContact CG2-CD2 3.97Å; V564-L591 HydrophobicContact CG2-CD1 3.68Å; V564-I611 HydrophobicContact CB-CD1 3.87Å; V564-I611 HydrophobicContact CG1-CD1 3.42Å; V564-I611 VanDerWaalsContact CG1-CD1 3.42Å; V564-I611 HydrophobicContact CG2-CD1 4.5Å |
| 565 | V | 85.7 | Confident | 78.7 | Confident | 46 Ų | 46 | 45 Ų | 45 | 28% | 0.279 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 176.1 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | K561 I563 M567 L568 T569 I611 L617 | K561-V565 WeakPolarHBondContact O-CG2 3.37Å; K561-V565 PolarHBondContact O-N 3.23Å; I563-V565 VanDerWaalsContact C-N 3.34Å; I563-V565 PolarHBondContact O-N 3.11Å; V565-M567 VanDerWaalsContact C-N 3.31Å; V565-M567 PolarHBondContact O-N 3.3Å; V565-L568 PolarHBondContact O-N 2.97Å; V565-L568 VanDerWaalsContact O-N 3.17Å; V565-T569 HydrophobicContact CG1-CG2 4.28Å; V565-T569 PolarHBondContact O-N 2.96Å; V565-T569 PolarHBondContact O-OG1 3.21Å; V565-T569 VanDerWaalsContact O-OG1 3.1Å; V565-I611 HydrophobicContact CG2-CG2 3.64Å; V565-L617 HydrophobicContact CG1-CD1 4.45Å |
| 566 | F | 84.3 | Confident | 77.5 | Confident | 47 Ų | 47 | 45.4 Ų | 45.4 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.9 | -42.3 | 178 | 172.9 | -97 | 0 | 0 | 0 | 112.6 | Y518 I519 R562 I563 V564 T569 G570 G571 I574 | Y518-F566 HydrophobicContact CD2-CB 4.05Å; Y518-F566 AromaticContact CD2-CD1 3.97Å; Y518-F566 HydrophobicContact CD2-CD1 3.97Å; Y518-F566 HydrophobicContact CD2-CD2 4.46Å; Y518-F566 AromaticContact CD2-CG 3.9Å; Y518-F566 HydrophobicContact CD2-CG 3.9Å; Y518-F566 HydrophobicContact CE2-CB 4.12Å; Y518-F566 HydrophobicContact CE2-CG 4.33Å; I519-F566 HydrophobicContact CD1-CE1 4.18Å; I519-F566 HydrophobicContact CG1-CE1 4.31Å; R562-F566 VanDerWaalsContact O-CB 3.29Å; R562-F566 WeakPolarHBondContact O-CB 3.43Å; R562-F566 PolarHBondContact O-N 3.44Å; I563-F566 PolarHBondContact O-N 3.45Å; V564-F566 PolarHBondContact O-N 2.99Å; F566-T569 PolarHBondContact O-OG1 2.96Å; F566-G570 PolarHBondContact O-N 2.79Å; F566-G571 PolarHBondContact O-N 3.19Å; F566-I574 HydrophobicContact CZ-CD1 4.46Å |
| 567 | M | 80.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 176.8 | -73.5 | -65.2 | -175.3 | 0 | 0 | 111.7 | I519 I523 I563 V564 V565 G571 L575 Y580 F584 | I519-M567 HydrophobicContact CG1-CE 4.29Å; I523-M567 HydrophobicContact CD1-CE 3.13Å; I563-M567 HydrophobicContact CG2-CG 4.46Å; I563-M567 WeakPolarHBondContact O-CG 3.17Å; I563-M567 PolarHBondContact O-N 3.38Å; V564-M567 PolarHBondContact O-N 2.81Å; V565-M567 VanDerWaalsContact C-N 3.31Å; V565-M567 PolarHBondContact O-N 3.3Å; M567-G571 WeakPolarHBondContact O-CA 3.23Å; M567-G571 PolarHBondContact O-N 3.23Å; M567-G571 VanDerWaalsContact O-N 3.09Å; M567-L575 HydrophobicContact CE-CD1 3.77Å; M567-L575 HydrophobicContact SD-CD1 3.86Å; M567-Y580 HydrophobicContact CB-CE2 4.21Å; M567-Y580 PolarHBondContact O-OH 2.93Å; M567-Y580 VanDerWaalsContact O-OH 3.08Å; M567-Y580 HydrophobicContact SD-CD2 4.12Å; M567-Y580 HydrophobicContact SD-CE2 3.92Å; M567-F584 HydrophobicContact CB-CD2 3.71Å; M567-F584 HydrophobicContact CB-CE2 3.99Å; M567-F584 HydrophobicContact CG-CD2 4.2Å |
| 568 | L | 79.3 | Confident | 74.8 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 178.6 | -69 | 174.2 | 0 | 0 | 0 | 113 | V564 V565 F584 L617 V618 L650 | V564-L568 HydrophobicContact CG1-CD1 4.07Å; V564-L568 WeakPolarHBondContact O-CG 3.5Å; V564-L568 PolarHBondContact O-N 3.06Å; V565-L568 PolarHBondContact O-N 2.97Å; V565-L568 VanDerWaalsContact O-N 3.17Å; L568-F584 HydrophobicContact CD2-CE2 4.16Å; L568-F584 HydrophobicContact CD2-CZ 3.8Å; L568-F584 HydrophobicContact CG-CE2 4.2Å; L568-F584 HydrophobicContact CG-CZ 4.24Å; L568-L617 HydrophobicContact CD1-CD1 4.47Å; L568-V618 HydrophobicContact CD1-CG2 4.12Å; L568-V618 HydrophobicContact CD2-CG2 3.66Å; L568-V618 HydrophobicContact CG-CG2 4.44Å; L568-L650 HydrophobicContact CD2-CD1 4.37Å |
| 569 | T | 77.7 | Confident | 73.7 | Confident | 91 Ų | 91 | 57.3 Ų | 57.3 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -85.1 | -33 | -175.9 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | V565 F566 L617 | V565-T569 HydrophobicContact CG1-CG2 4.28Å; V565-T569 PolarHBondContact O-N 2.96Å; V565-T569 PolarHBondContact O-OG1 3.21Å; V565-T569 VanDerWaalsContact O-OG1 3.1Å; F566-T569 PolarHBondContact O-OG1 2.96Å; T569-L617 HydrophobicContact CG2-CD2 3.65Å |
| 570 | G | 64.8 | Low | 73 | Confident | 23 Ų | 23 | 57.9 Ų | 57.9 | 24% | 0.237 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -144.5 | -6.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116 | F566 T573 | F566-G570 PolarHBondContact O-N 2.79Å; G570-T573 PolarHBondContact O-OG1 3.3Å; G570-T573 VanDerWaalsContact O-OG1 3.09Å |
| 571 | G | 59.9 | Low | 72.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -72 | -30.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F566 M567 T573 I574 L575 | F566-G571 PolarHBondContact O-N 3.19Å; M567-G571 WeakPolarHBondContact O-CA 3.23Å; M567-G571 PolarHBondContact O-N 3.23Å; M567-G571 VanDerWaalsContact O-N 3.09Å; G571-T573 PolarHBondContact O-N 2.94Å; G571-I574 PolarHBondContact O-N 3.12Å; G571-L575 PolarHBondContact O-N 2.76Å |
| 572 | K | 59.1 | Low | 71.8 | Confident | 154 Ų | 154 | 63.3 Ų | 63.3 | 67% | 0.67 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -61.2 | -24.4 | -177.4 | -69.3 | -177.6 | 179.4 | 175.4 | 0 | 114.2 | Y580 | K572-Y580 HydrophobicContact CG-CE1 4.49Å; K572-Y580 HydrophobicContact CG-CE2 4.1Å |
| 573 | T | 56.8 | Low | 71.6 | Confident | 128 Ų | 128 | 58.6 Ų | 58.6 | 79% | 0.785 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -93 | -17.2 | -179.1 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | G570 G571 | G570-T573 PolarHBondContact O-OG1 3.3Å; G570-T573 VanDerWaalsContact O-OG1 3.09Å; G571-T573 PolarHBondContact O-N 2.94Å |
| 574 | I | 60.6 | Low | 71.5 | Confident | 110 Ų | 110 | 59 Ų | 59 | 56% | 0.564 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -28.7 | -170.2 | -61.1 | 173.5 | 0 | 0 | 0 | 112 | I519 F566 G571 | I519-I574 HydrophobicContact CD1-CG2 4.01Å; F566-I574 HydrophobicContact CZ-CD1 4.46Å; G571-I574 PolarHBondContact O-N 3.12Å |
| 575 | L | 60.3 | Low | 71.5 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -110.1 | 145.4 | -171.2 | -73 | 161.4 | 0 | 0 | 0 | 112.2 | I519 M567 G571 Y580 Y583 | I519-L575 HydrophobicContact CD1-CD1 3.93Å; I519-L575 HydrophobicContact CD1-CD2 4.22Å; I519-L575 HydrophobicContact CD1-CG 4.06Å; I519-L575 HydrophobicContact CG1-CD1 4.29Å; I519-L575 HydrophobicContact CG2-CD2 3.92Å; M567-L575 HydrophobicContact CE-CD1 3.77Å; M567-L575 HydrophobicContact SD-CD1 3.86Å; G571-L575 PolarHBondContact O-N 2.76Å; L575-Y580 HydrophobicContact CB-CD2 4.38Å; L575-Y580 HydrophobicContact CD1-CD2 4.15Å; L575-Y583 HydrophobicContact CD1-CD2 4.27Å; L575-Y583 HydrophobicContact CD2-CD2 4.28Å; L575-Y583 HydrophobicContact CD2-CE2 4.18Å |
| 576 | V | 62.1 | Low | 71.5 | Confident | 91 Ų | 91 | 60 Ų | 60 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | trans | -64.1 | 136.5 | 168 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | V578 F579 Y580 | V576-V578 VanDerWaalsContact C-N 3.28Å; V576-V578 PolarHBondContact O-N 3.49Å; V576-F579 HydrophobicContact CB-CD2 4.13Å; V576-F579 PolarHBondContact O-N 3.33Å; V576-Y580 PolarHBondContact O-N 2.99Å; V576-Y580 VanDerWaalsContact O-N 3.12Å | ||
| 577 | P | 60.7 | Low | 71.7 | Confident | 97 Ų | 97 | 57.8 Ų | 57.8 | 63% | 0.63 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -47.8 | -43.2 | -171.8 | -31.8 | 35.3 | 0 | 0 | 0 | 115.1 | F579 Y580 D581 | P577-F579 PolarHBondContact O-N 2.9Å; P577-Y580 WeakPolarHBondContact O-CB 3.36Å; P577-Y580 PolarHBondContact O-N 2.81Å; P577-D581 PolarHBondContact O-N 2.99Å |
| 578 | V | 61.2 | Low | 72.1 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -36.5 | -179.3 | -177.1 | 0 | 0 | 0 | 0 | 113.4 | V576 N582 | V576-V578 VanDerWaalsContact C-N 3.28Å; V576-V578 PolarHBondContact O-N 3.49Å; V578-N582 PolarHBondContact O-ND2 3.04Å |
| 579 | F | 67.1 | Low | 72.6 | Confident | 113 Ų | 113 | 60.2 Ų | 60.2 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -80.1 | -30.6 | 178.3 | -70.8 | -75.3 | 0 | 0 | 0 | 111.3 | V576 P577 Y583 | V576-F579 HydrophobicContact CB-CD2 4.13Å; V576-F579 PolarHBondContact O-N 3.33Å; P577-F579 PolarHBondContact O-N 2.9Å; F579-Y583 HydrophobicContact CB-CE2 4.49Å; F579-Y583 HydrophobicContact CD1-CE1 4.48Å; F579-Y583 VanDerWaalsContact O-CB 3.23Å; F579-Y583 WeakPolarHBondContact O-CB 3.11Å; F579-Y583 WeakPolarHBondContact O-CD1 3.45Å; F579-Y583 PolarHBondContact O-N 2.86Å |
| 580 | Y | 74.5 | Confident | 73.2 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.6 | -51.6 | 176.2 | 180 | -89.6 | 0 | 0 | 0 | 111.3 | M567 K572 L575 V576 P577 N582 Y583 F584 | M567-Y580 HydrophobicContact CB-CE2 4.21Å; M567-Y580 PolarHBondContact O-OH 2.93Å; M567-Y580 VanDerWaalsContact O-OH 3.08Å; M567-Y580 HydrophobicContact SD-CD2 4.12Å; M567-Y580 HydrophobicContact SD-CE2 3.92Å; K572-Y580 HydrophobicContact CG-CE1 4.49Å; K572-Y580 HydrophobicContact CG-CE2 4.1Å; L575-Y580 HydrophobicContact CB-CD2 4.38Å; L575-Y580 HydrophobicContact CD1-CD2 4.15Å; V576-Y580 PolarHBondContact O-N 2.99Å; V576-Y580 VanDerWaalsContact O-N 3.12Å; P577-Y580 WeakPolarHBondContact O-CB 3.36Å; P577-Y580 PolarHBondContact O-N 2.81Å; Y580-N582 PolarHBondContact O-N 2.9Å; Y580-Y583 PolarHBondContact O-N 3.42Å; Y580-F584 VanDerWaalsContact O-CB 3.27Å; Y580-F584 WeakPolarHBondContact O-CB 3.49Å; Y580-F584 PolarHBondContact O-N 2.87Å |
| 581 | D | 73.1 | Confident | 74.4 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | -177.3 | -65.9 | -31.4 | 0 | 0 | 0 | 112.4 | P577 Y583 F584 L585 V648 | P577-D581 PolarHBondContact O-N 2.99Å; D581-Y583 PolarHBondContact O-N 3.34Å; D581-F584 PolarHBondContact O-N 3.44Å; D581-L585 VanDerWaalsContact O-CB 3.27Å; D581-L585 WeakPolarHBondContact O-CB 3.37Å; D581-L585 PolarHBondContact O-N 3.1Å; D581-V648 HydrophobicContact CB-CG2 4.26Å |
| 582 | N | 80.6 | Confident | 75.9 | Confident | 89 Ų | 89 | 57.7 Ų | 57.7 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 177.1 | -77.1 | -41.6 | 0 | 0 | 0 | 112.3 | V578 Y580 A586 | V578-N582 PolarHBondContact O-ND2 3.04Å; Y580-N582 PolarHBondContact O-N 2.9Å; N582-A586 VanDerWaalsContact O-CB 3.26Å; N582-A586 WeakPolarHBondContact O-CB 3.32Å; N582-A586 PolarHBondContact O-N 3.1Å |
| 583 | Y | 83.6 | Confident | 77.3 | Confident | 41 Ų | 41 | 53 Ų | 53 | 16% | 0.161 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.1 | -38.6 | 179.9 | -74.7 | 3.9 | 0 | 0 | 0 | 112.1 | I519 I523 M527 L575 F579 Y580 D581 T587 | I519-Y583 HydrophobicContact CG2-CE2 4.07Å; I523-Y583 HydrophobicContact CG2-CD1 3.82Å; I523-Y583 HydrophobicContact CG2-CD2 4.19Å; I523-Y583 HydrophobicContact CG2-CE1 4.49Å; I523-Y583 HydrophobicContact CG2-CG 3.64Å; M527-Y583 HydrophobicContact CE-CD1 3.95Å; M527-Y583 HydrophobicContact CE-CE1 3.41Å; M527-Y583 VanDerWaalsContact CE-CE1 3.41Å; M527-Y583 HydrophobicContact SD-CD1 3.74Å; M527-Y583 HydrophobicContact SD-CE1 3.68Å; L575-Y583 HydrophobicContact CD1-CD2 4.27Å; L575-Y583 HydrophobicContact CD2-CD2 4.28Å; L575-Y583 HydrophobicContact CD2-CE2 4.18Å; F579-Y583 HydrophobicContact CB-CE2 4.49Å; F579-Y583 HydrophobicContact CD1-CE1 4.48Å; F579-Y583 VanDerWaalsContact O-CB 3.23Å; F579-Y583 WeakPolarHBondContact O-CB 3.11Å; F579-Y583 WeakPolarHBondContact O-CD1 3.45Å; F579-Y583 PolarHBondContact O-N 2.86Å; Y580-Y583 PolarHBondContact O-N 3.42Å; D581-Y583 PolarHBondContact O-N 3.34Å; Y583-T587 PolarHBondContact O-N 3.44Å; Y583-T587 VanDerWaalsContact O-N 3.09Å; Y583-T587 PolarHBondContact O-OG1 3.41Å |
| 584 | F | 84 | Confident | 78.9 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.5 | -48.4 | 176.6 | -167.3 | -118.8 | 0 | 0 | 0 | 111.2 | V564 M567 L568 Y580 D581 A586 T587 L588 V648 L650 | V564-F584 HydrophobicContact CG1-CE2 3.91Å; V564-F584 HydrophobicContact CG1-CZ 4.29Å; M567-F584 HydrophobicContact CB-CD2 3.71Å; M567-F584 HydrophobicContact CB-CE2 3.99Å; M567-F584 HydrophobicContact CG-CD2 4.2Å; L568-F584 HydrophobicContact CD2-CE2 4.16Å; L568-F584 HydrophobicContact CD2-CZ 3.8Å; L568-F584 HydrophobicContact CG-CE2 4.2Å; L568-F584 HydrophobicContact CG-CZ 4.24Å; Y580-F584 VanDerWaalsContact O-CB 3.27Å; Y580-F584 WeakPolarHBondContact O-CB 3.49Å; Y580-F584 PolarHBondContact O-N 2.87Å; D581-F584 PolarHBondContact O-N 3.44Å; F584-A586 PolarHBondContact O-N 2.91Å; F584-T587 PolarHBondContact O-N 2.92Å; F584-T587 VanDerWaalsContact O-N 3.17Å; F584-L588 HydrophobicContact CD1-CD1 3.95Å; F584-L588 HydrophobicContact CE1-CD1 3.73Å; F584-L588 HydrophobicContact CZ-CD1 4.16Å; F584-L588 WeakPolarHBondContact O-CG 3.36Å; F584-L588 PolarHBondContact O-N 3.15Å; F584-L588 VanDerWaalsContact O-N 3.07Å; F584-V648 HydrophobicContact CD1-CB 3.78Å; F584-V648 HydrophobicContact CD1-CG1 3.6Å; F584-V648 HydrophobicContact CD1-CG2 4.25Å; F584-V648 HydrophobicContact CE1-CB 4.28Å; F584-V648 HydrophobicContact CE1-CG1 3.95Å; F584-L650 HydrophobicContact CE1-CD2 4.05Å; F584-L650 HydrophobicContact CE1-CG 4.41Å; F584-L650 HydrophobicContact CZ-CD2 3.8Å; F584-L650 HydrophobicContact CZ-CG 4.39Å |
| 585 | L | 85.8 | Confident | 80.2 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 31% | 0.314 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.7 | -178.5 | 63.4 | 0 | 0 | 0 | 112 | D581 T587 L588 Q589 V648 F653 | D581-L585 VanDerWaalsContact O-CB 3.27Å; D581-L585 WeakPolarHBondContact O-CB 3.37Å; D581-L585 PolarHBondContact O-N 3.1Å; L585-T587 VanDerWaalsContact C-N 3.29Å; L585-T587 PolarHBondContact O-N 2.89Å; L585-L588 PolarHBondContact O-N 3.44Å; L585-Q589 HydrophobicContact CD1-CG 4.13Å; L585-Q589 HydrophobicContact CG-CG 4.29Å; L585-Q589 WeakPolarHBondContact O-CB 3.4Å; L585-Q589 WeakPolarHBondContact O-CG 3.36Å; L585-Q589 PolarHBondContact O-N 3.19Å; L585-V648 HydrophobicContact CB-CG2 4.04Å; L585-V648 HydrophobicContact CD1-CG1 4.35Å; L585-F653 HydrophobicContact CD1-CZ 4.25Å |
| 586 | A | 86.1 | Confident | 81.6 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -38.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M527 L530 N582 F584 L590 | M527-A586 HydrophobicContact CG-CB 3.65Å; L530-A586 HydrophobicContact CD1-CB 3.9Å; L530-A586 WeakPolarHBondContact CD1-O 3.48Å; N582-A586 VanDerWaalsContact O-CB 3.26Å; N582-A586 WeakPolarHBondContact O-CB 3.32Å; N582-A586 PolarHBondContact O-N 3.1Å; F584-A586 PolarHBondContact O-N 2.91Å; A586-L590 WeakPolarHBondContact O-CB 3.38Å; A586-L590 PolarHBondContact O-N 3.1Å; A586-L590 VanDerWaalsContact O-N 3.12Å |
| 587 | T | 87.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.4 | -43.8 | 177.5 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | Y560 I563 V564 Y583 F584 L585 L590 L591 | Y560-T587 HydrophobicContact CD1-CG2 4.17Å; I563-T587 HydrophobicContact CB-CG2 4.03Å; I563-T587 HydrophobicContact CG2-CG2 3.76Å; V564-T587 HydrophobicContact CG2-CG2 3.68Å; Y583-T587 PolarHBondContact O-N 3.44Å; Y583-T587 VanDerWaalsContact O-N 3.09Å; Y583-T587 PolarHBondContact O-OG1 3.41Å; F584-T587 PolarHBondContact O-N 2.92Å; F584-T587 VanDerWaalsContact O-N 3.17Å; L585-T587 VanDerWaalsContact C-N 3.29Å; L585-T587 PolarHBondContact O-N 2.89Å; T587-L590 PolarHBondContact O-N 3.06Å; T587-L591 PolarHBondContact O-N 2.59Å |
| 588 | L | 89.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.3 | -43.1 | 179 | -68.4 | 171.4 | 0 | 0 | 0 | 112.6 | V564 F584 L585 L590 L591 E592 V648 L650 F653 I656 | V564-L588 HydrophobicContact CG1-CD2 4.33Å; V564-L588 HydrophobicContact CG2-CD2 3.97Å; F584-L588 HydrophobicContact CD1-CD1 3.95Å; F584-L588 HydrophobicContact CE1-CD1 3.73Å; F584-L588 HydrophobicContact CZ-CD1 4.16Å; F584-L588 WeakPolarHBondContact O-CG 3.36Å; F584-L588 PolarHBondContact O-N 3.15Å; F584-L588 VanDerWaalsContact O-N 3.07Å; L585-L588 PolarHBondContact O-N 3.44Å; L588-L590 VanDerWaalsContact C-N 3.28Å; L588-L590 PolarHBondContact O-N 2.65Å; L588-L591 WeakPolarHBondContact O-CB 3.34Å; L588-L591 PolarHBondContact O-N 2.88Å; L588-E592 PolarHBondContact O-N 3.07Å; L588-V648 HydrophobicContact CD1-CG1 3.67Å; L588-L650 HydrophobicContact CD1-CD2 4Å; L588-L650 HydrophobicContact CD2-CD2 4.12Å; L588-F653 HydrophobicContact CB-CD1 4.36Å; L588-F653 HydrophobicContact CB-CD2 4.04Å; L588-F653 HydrophobicContact CB-CE1 4.09Å; L588-F653 HydrophobicContact CB-CE2 3.75Å; L588-F653 HydrophobicContact CB-CG 4.33Å; L588-F653 HydrophobicContact CB-CZ 3.77Å; L588-F653 HydrophobicContact CD1-CD2 3.9Å; L588-F653 HydrophobicContact CD1-CE2 3.81Å; L588-F653 HydrophobicContact CG-CD2 4.39Å; L588-F653 HydrophobicContact CG-CE2 4.37Å; L588-I656 HydrophobicContact CD2-CD1 3.93Å |
| 589 | Q | 89.1 | Confident | 85.2 | Confident | 77 Ų | 77 | 38.9 Ų | 38.9 | 36% | 0.36 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.8 | -34.4 | 176.2 | -75.6 | -179.8 | -21.6 | 0 | 0 | 112.6 | L530 L585 E592 K593 F653 | L530-Q589 HydrophobicContact CD1-CB 3.83Å; L530-Q589 HydrophobicContact CD2-CB 4.06Å; L585-Q589 HydrophobicContact CD1-CG 4.13Å; L585-Q589 HydrophobicContact CG-CG 4.29Å; L585-Q589 WeakPolarHBondContact O-CB 3.4Å; L585-Q589 WeakPolarHBondContact O-CG 3.36Å; L585-Q589 PolarHBondContact O-N 3.19Å; Q589-E592 WeakPolarHBondContact O-CB 3.2Å; Q589-E592 PolarHBondContact O-N 3.49Å; Q589-K593 PolarHBondContact O-N 3.23Å; Q589-F653 HydrophobicContact CG-CZ 4.42Å |
| 590 | L | 90.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.5 | -42 | 175.4 | -170.2 | 66.2 | 0 | 0 | 0 | 111.6 | A526 I529 L530 W545 Y560 A586 T587 L588 E592 K593 L594 | A526-L590 HydrophobicContact CB-CD2 3.46Å; A526-L590 VanDerWaalsContact CB-CD2 3.46Å; I529-L590 HydrophobicContact CB-CD1 4.37Å; I529-L590 HydrophobicContact CG2-CD1 3.82Å; L530-L590 HydrophobicContact CD2-CD1 4.39Å; W545-L590 HydrophobicContact CH2-CD1 3.94Å; W545-L590 HydrophobicContact CZ3-CD1 4.49Å; Y560-L590 HydrophobicContact CD1-CD2 4.09Å; Y560-L590 HydrophobicContact CD2-CD2 4.02Å; Y560-L590 HydrophobicContact CE1-CD2 3.48Å; Y560-L590 VanDerWaalsContact CE1-CD2 3.48Å; Y560-L590 HydrophobicContact CE2-CD2 3.38Å; Y560-L590 HydrophobicContact CE2-CG 4.25Å; Y560-L590 HydrophobicContact CG-CD2 4.35Å; Y560-L590 VanDerWaalsContact OH-CD2 3.24Å; Y560-L590 WeakPolarHBondContact OH-CD2 3.36Å; A586-L590 WeakPolarHBondContact O-CB 3.38Å; A586-L590 PolarHBondContact O-N 3.1Å; A586-L590 VanDerWaalsContact O-N 3.12Å; T587-L590 PolarHBondContact O-N 3.06Å; L588-L590 VanDerWaalsContact C-N 3.28Å; L588-L590 PolarHBondContact O-N 2.65Å; L590-E592 PolarHBondContact O-N 3.2Å; L590-K593 WeakPolarHBondContact O-CB 3.21Å; L590-K593 PolarHBondContact O-N 2.79Å; L590-K593 VanDerWaalsContact O-N 3.15Å; L590-L594 WeakPolarHBondContact O-CG 3.33Å; L590-L594 PolarHBondContact O-N 3.44Å |
| 591 | L | 90.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.2 | -37.7 | 170.7 | -82.6 | 171.1 | 0 | 0 | 0 | 111.8 | K561 V564 T587 L588 L594 H595 F655 | K561-L591 HydrophobicContact CG-CD2 4.39Å; V564-L591 HydrophobicContact CG2-CD1 3.68Å; T587-L591 PolarHBondContact O-N 2.59Å; L588-L591 WeakPolarHBondContact O-CB 3.34Å; L588-L591 PolarHBondContact O-N 2.88Å; L591-L594 HydrophobicContact CD2-CD1 4.46Å; L591-L594 PolarHBondContact O-N 3.26Å; L591-H595 WeakPolarHBondContact O-CB 3.42Å; L591-H595 PolarHBondContact O-N 2.91Å; L591-F655 HydrophobicContact CB-CE2 3.96Å; L591-F655 HydrophobicContact CB-CZ 4.01Å |
| 592 | E | 90.3 | Very high | 87 | Confident | 60 Ų | 60 | 45.2 Ų | 45.2 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64 | -41.3 | 174.7 | -168.1 | -158.8 | 162.6 | 0 | 0 | 111.6 | L588 Q589 L590 H595 K596 F653 F655 | L588-E592 PolarHBondContact O-N 3.07Å; Q589-E592 WeakPolarHBondContact O-CB 3.2Å; Q589-E592 PolarHBondContact O-N 3.49Å; L590-E592 PolarHBondContact O-N 3.2Å; E592-H595 WeakPolarHBondContact O-CB 3.43Å; E592-H595 PolarHBondContact O-N 3.29Å; E592-K596 WeakPolarHBondContact O-CG 3.37Å; E592-K596 PolarHBondContact O-N 3.02Å; E592-K596 WeakPolarHBondContact OE1-CE 3.34Å; E592-K596 IonicContact OE1-NZ 3.33Å; E592-K596 PolarHBondContact OE1-NZ 3.46Å; E592-F653 HydrophobicContact CB-CD1 4.22Å; E592-F653 HydrophobicContact CB-CE1 4.19Å; E592-F653 HydrophobicContact CG-CD1 4.43Å; E592-F653 HydrophobicContact CG-CE1 4.5Å; E592-F655 HydrophobicContact CB-CE1 3.92Å; E592-F655 HydrophobicContact CB-CZ 4.01Å; E592-F655 HydrophobicContact CG-CE1 4.03Å |
| 593 | K | 89.3 | Confident | 87.1 | Confident | 54 Ų | 54 | 43 Ų | 43 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 172.8 | -79.6 | -179.7 | 178.2 | -79.8 | 0 | 111.7 | L530 S537 V541 Q589 L590 H595 K596 V597 | L530-K593 HydrophobicContact CD2-CD 3.75Å; S537-K593 PolarHBondContact OG-NZ 3.32Å; V541-K593 HydrophobicContact CG1-CB 4.4Å; V541-K593 HydrophobicContact CG2-CD 4.16Å; Q589-K593 PolarHBondContact O-N 3.23Å; L590-K593 WeakPolarHBondContact O-CB 3.21Å; L590-K593 PolarHBondContact O-N 2.79Å; L590-K593 VanDerWaalsContact O-N 3.15Å; K593-H595 VanDerWaalsContact C-N 3.34Å; K593-K596 PolarHBondContact O-N 3.36Å; K593-V597 WeakPolarHBondContact O-CG2 3.26Å; K593-V597 PolarHBondContact O-N 3.49Å; K593-V597 VanDerWaalsContact O-N 3.1Å |
| 594 | L | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.4 | -66.2 | 175.9 | 0 | 0 | 0 | 110.6 | W545 F553 M556 V557 Y560 L590 L591 K596 V597 N598 F609 | W545-L594 HydrophobicContact CD2-CD2 4.29Å; W545-L594 HydrophobicContact CE3-CD2 3.66Å; W545-L594 HydrophobicContact CH2-CD2 4.08Å; W545-L594 HydrophobicContact CZ3-CD2 3.54Å; W545-L594 HydrophobicContact CZ3-CG 4.32Å; F553-L594 HydrophobicContact CE2-CB 4.46Å; F553-L594 HydrophobicContact CE2-CD2 3.94Å; F553-L594 HydrophobicContact CZ-CB 4.09Å; F553-L594 HydrophobicContact CZ-CD2 4.39Å; F553-L594 VanDerWaalsContact CZ-O 3.3Å; F553-L594 WeakPolarHBondContact CZ-O 3.4Å; M556-L594 HydrophobicContact CB-CD1 4.19Å; M556-L594 HydrophobicContact CE-CD2 3.45Å; M556-L594 VanDerWaalsContact CE-CD2 3.45Å; V557-L594 HydrophobicContact CG2-CB 4.48Å; V557-L594 HydrophobicContact CG2-CD1 4.26Å; Y560-L594 HydrophobicContact CD2-CD1 3.93Å; Y560-L594 HydrophobicContact CE2-CD1 4.48Å; L590-L594 WeakPolarHBondContact O-CG 3.33Å; L590-L594 PolarHBondContact O-N 3.44Å; L591-L594 HydrophobicContact CD2-CD1 4.46Å; L591-L594 PolarHBondContact O-N 3.26Å; L594-K596 VanDerWaalsContact C-N 3.32Å; L594-K596 PolarHBondContact O-N 2.88Å; L594-V597 WeakPolarHBondContact O-CB 3.07Å; L594-V597 PolarHBondContact O-N 3.04Å; L594-N598 PolarHBondContact O-N 3.2Å; L594-F609 HydrophobicContact CB-CE1 4.23Å |
| 595 | H | 89.6 | Confident | 87.1 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.2 | -45.5 | 176.5 | 179.9 | 55.8 | 0 | 0 | 0 | 112.2 | L591 E592 K593 V597 N598 L599 Y606 F609 F655 | L591-H595 WeakPolarHBondContact O-CB 3.42Å; L591-H595 PolarHBondContact O-N 2.91Å; E592-H595 WeakPolarHBondContact O-CB 3.43Å; E592-H595 PolarHBondContact O-N 3.29Å; K593-H595 VanDerWaalsContact C-N 3.34Å; H595-V597 VanDerWaalsContact C-N 3.3Å; H595-V597 PolarHBondContact O-N 3.01Å; H595-N598 WeakPolarHBondContact O-CB 3.5Å; H595-N598 PolarHBondContact O-N 3.23Å; H595-N598 VanDerWaalsContact O-N 3.09Å; H595-L599 WeakPolarHBondContact O-CG 3.31Å; H595-L599 PolarHBondContact O-N 2.72Å; H595-Y606 AromaticContact CE1-CD2 3.7Å; H595-Y606 AromaticContact CE1-CE2 3.32Å; H595-Y606 WeakPolarHBondContact CE1-CE2 3.49Å; H595-Y606 AromaticContact NE2-CE2 3.96Å; H595-F609 HydrophobicContact CB-CD1 4.36Å; H595-F609 HydrophobicContact CB-CE1 4.03Å; H595-F609 HydrophobicContact CB-CZ 4.41Å; H595-F655 HydrophobicContact CB-CD1 4.33Å; H595-F655 HydrophobicContact CB-CD2 3.92Å; H595-F655 HydrophobicContact CB-CE1 4.47Å; H595-F655 HydrophobicContact CB-CE2 4.07Å; H595-F655 HydrophobicContact CB-CG 4.07Å; H595-F655 HydrophobicContact CB-CZ 4.37Å; H595-F655 AromaticContact CD2-CD1 3.89Å; H595-F655 AromaticContact CD2-CG 3.83Å; H595-F655 AromaticContact CG-CD2 3.96Å; H595-F655 AromaticContact CG-CG 3.71Å |
| 596 | K | 88.2 | Confident | 86.9 | Confident | 102 Ų | 102 | 47.9 Ų | 47.9 | 44% | 0.443 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -34.8 | 175.3 | -73.1 | 173.7 | -175.8 | 168 | 0 | 113.5 | E592 K593 L594 | E592-K596 WeakPolarHBondContact O-CG 3.37Å; E592-K596 PolarHBondContact O-N 3.02Å; E592-K596 WeakPolarHBondContact OE1-CE 3.34Å; E592-K596 IonicContact OE1-NZ 3.33Å; E592-K596 PolarHBondContact OE1-NZ 3.46Å; K593-K596 PolarHBondContact O-N 3.36Å; L594-K596 VanDerWaalsContact C-N 3.32Å; L594-K596 PolarHBondContact O-N 2.88Å |
| 597 | V | 87.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 172.8 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | V541 W545 F553 K593 L594 H595 L599 R600 A601 | V541-V597 HydrophobicContact CB-CG2 4.4Å; V541-V597 HydrophobicContact CG1-CG2 3.36Å; V541-V597 WeakPolarHBondContact O-CG2 3.47Å; W545-V597 HydrophobicContact CB-CG1 4Å; W545-V597 HydrophobicContact CB-CG2 4.31Å; W545-V597 HydrophobicContact CE3-CG2 4.19Å; F553-V597 HydrophobicContact CD2-CG1 4.48Å; F553-V597 HydrophobicContact CE2-CB 4.06Å; F553-V597 HydrophobicContact CE2-CG1 3.71Å; F553-V597 HydrophobicContact CZ-CB 4.41Å; F553-V597 HydrophobicContact CZ-CG1 4.36Å; K593-V597 WeakPolarHBondContact O-CG2 3.26Å; K593-V597 PolarHBondContact O-N 3.49Å; K593-V597 VanDerWaalsContact O-N 3.1Å; L594-V597 WeakPolarHBondContact O-CB 3.07Å; L594-V597 PolarHBondContact O-N 3.04Å; H595-V597 VanDerWaalsContact C-N 3.3Å; H595-V597 PolarHBondContact O-N 3.01Å; V597-L599 VanDerWaalsContact C-N 3.29Å; V597-L599 PolarHBondContact O-N 3.24Å; V597-R600 PolarHBondContact O-N 3.16Å; V597-A601 PolarHBondContact O-N 3.26Å |
| 598 | N | 88.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | -179.9 | -163.3 | 60.4 | 0 | 0 | 0 | 112.4 | F553 L594 H595 R600 A601 N602 H603 V604 F609 | F553-N598 HydrophobicContact CE1-CB 3.91Å; F553-N598 HydrophobicContact CZ-CB 3.89Å; L594-N598 PolarHBondContact O-N 3.2Å; H595-N598 WeakPolarHBondContact O-CB 3.5Å; H595-N598 PolarHBondContact O-N 3.23Å; H595-N598 VanDerWaalsContact O-N 3.09Å; N598-R600 PolarHBondContact O-N 3.45Å; N598-R600 VanDerWaalsContact O-N 3.15Å; N598-A601 PolarHBondContact O-N 2.91Å; N598-N602 VanDerWaalsContact O-CA 3.28Å; N598-N602 WeakPolarHBondContact O-CA 3.12Å; N598-N602 PolarHBondContact O-N 3.46Å; N598-N602 PolarHBondContact O-OD1 3.26Å; N598-H603 PolarHBondContact OD1-N 3.1Å; N598-V604 PolarHBondContact ND2-O 3.09Å; N598-V604 WeakPolarHBondContact OD1-CG2 3.22Å; N598-V604 PolarHBondContact OD1-N 3.36Å; N598-V604 PolarHBondContact OD1-O 3.02Å; N598-F609 HydrophobicContact CB-CE2 3.88Å; N598-F609 HydrophobicContact CB-CZ 3.94Å |
| 599 | L | 85.1 | Confident | 86.5 | Confident | 103 Ų | 103 | 55.9 Ų | 55.9 | 54% | 0.539 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -21.7 | 174.4 | -70.2 | 175.2 | 0 | 0 | 0 | 113.8 | H595 V597 | H595-L599 WeakPolarHBondContact O-CG 3.31Å; H595-L599 PolarHBondContact O-N 2.72Å; V597-L599 VanDerWaalsContact C-N 3.29Å; V597-L599 PolarHBondContact O-N 3.24Å |
| 600 | R | 83.9 | Confident | 86.3 | Confident | 157 Ų | 157 | 54.3 Ų | 54.3 | 59% | 0.592 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -98.4 | -38.6 | 179.4 | -64.1 | 179.9 | -178.2 | 164.7 | 5 | 113 | D542 V597 N598 | D542-R600 IonicContact OD1-CZ 3.91Å; D542-R600 IonicContact OD1-NH1 3.08Å; D542-R600 PolarHBondContact OD1-NH1 3Å; D542-R600 IonicContact OD1-NH2 3.46Å; D542-R600 IonicContact OD2-NH1 3.85Å; V597-R600 PolarHBondContact O-N 3.16Å; N598-R600 PolarHBondContact O-N 3.45Å; N598-R600 VanDerWaalsContact O-N 3.15Å |
| 601 | A | 82.9 | Confident | 85.9 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -105.1 | -12.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C546 V597 N598 H603 | C546-A601 HydrophobicContact CB-CB 4.13Å; V597-A601 PolarHBondContact O-N 3.26Å; N598-A601 PolarHBondContact O-N 2.91Å; A601-H603 VanDerWaalsContact C-N 3.28Å; A601-H603 VanDerWaalsContact CB-NE2 3.26Å; A601-H603 WeakPolarHBondContact CB-NE2 3.4Å; A601-H603 PolarHBondContact O-N 2.95Å |
| 602 | N | 84.4 | Confident | 85 | Confident | 131 Ų | 131 | 58.2 Ų | 58.2 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | trans | 47.4 | 46.1 | -178.9 | -68.5 | -32 | 0 | 0 | 0 | 113.5 | N598 | N598-N602 VanDerWaalsContact O-CA 3.28Å; N598-N602 WeakPolarHBondContact O-CA 3.12Å; N598-N602 PolarHBondContact O-N 3.46Å; N598-N602 PolarHBondContact O-OD1 3.26Å | ||
| 603 | H | 83.2 | Confident | 84.1 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | trans | -69.2 | -35.6 | -178.8 | -69.6 | -50.2 | 0 | 0 | 0 | 113.5 | W545 C546 M548 F553 N598 A601 | W545-H603 PolarHBondContact O-NE2 3.34Å; C546-H603 WeakPolarHBondContact CA-NE2 3.5Å; C546-H603 PolarHBondContact O-CE1 3.17Å; C546-H603 PolarHBondContact O-NE2 2.77Å; M548-H603 PolarHBondContact O-CE1 2.66Å; F553-H603 HydrophobicContact CB-CB 4.02Å; F553-H603 HydrophobicContact CD1-CB 3.72Å; F553-H603 AromaticContact CD2-CD2 3.72Å; F553-H603 HydrophobicContact CE1-CB 4.33Å; F553-H603 HydrophobicContact CG-CB 3.83Å; F553-H603 AromaticContact CG-CD2 3.86Å; N598-H603 PolarHBondContact OD1-N 3.1Å; A601-H603 VanDerWaalsContact C-N 3.28Å; A601-H603 VanDerWaalsContact CB-NE2 3.26Å; A601-H603 WeakPolarHBondContact CB-NE2 3.4Å; A601-H603 PolarHBondContact O-N 2.95Å | ||
| 604 | V | 84.6 | Confident | 83.5 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -136.9 | 155.9 | -179.3 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | F553 T554 N598 R608 F609 | F553-V604 HydrophobicContact CD1-CG1 4Å; F553-V604 HydrophobicContact CD1-CG2 3.88Å; F553-V604 HydrophobicContact CE1-CG2 3.77Å; T554-V604 VanDerWaalsContact OG1-CG1 3.23Å; T554-V604 WeakPolarHBondContact OG1-CG1 3.46Å; N598-V604 PolarHBondContact ND2-O 3.09Å; N598-V604 WeakPolarHBondContact OD1-CG2 3.22Å; N598-V604 PolarHBondContact OD1-N 3.36Å; N598-V604 PolarHBondContact OD1-O 3.02Å; V604-R608 HydrophobicContact CB-CB 4.5Å; V604-F609 HydrophobicContact CG2-CD2 4.32Å; V604-F609 HydrophobicContact CG2-CE2 3.58Å; V604-F609 HydrophobicContact CG2-CZ 4.29Å |
| 605 | E | 82.9 | Confident | 82.6 | Confident | 149 Ų | 149 | 60.3 Ų | 60.3 | 70% | 0.696 | 30% | 0.301 | S | S | * | . | trans | -61.5 | 143.5 | 172.4 | -65.5 | -177.2 | -178.8 | 0 | 0 | 111.4 | S607 R608 | E605-S607 PolarHBondContact O-N 3.05Å; E605-S607 PolarHBondContact OE2-OG 3.27Å; E605-R608 VanDerWaalsContact O-CB 3.28Å; E605-R608 WeakPolarHBondContact O-CB 3.41Å; E605-R608 PolarHBondContact O-N 3.48Å | ||
| 606 | Y | 81.8 | Confident | 81.9 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -55.5 | -37 | 177.7 | -174.3 | -84.9 | 0 | 0 | 0 | 111.9 | H595 R608 F609 Y610 F655 Q926 | H595-Y606 AromaticContact CE1-CD2 3.7Å; H595-Y606 AromaticContact CE1-CE2 3.32Å; H595-Y606 WeakPolarHBondContact CE1-CE2 3.49Å; H595-Y606 AromaticContact NE2-CE2 3.96Å; Y606-R608 PolarHBondContact O-N 2.73Å; Y606-R608 VanDerWaalsContact O-N 3.1Å; Y606-F609 PolarHBondContact O-N 3.46Å; Y606-Y610 AromaticContact CD1-CE1 3.85Å; Y606-Y610 HydrophobicContact CD1-CE1 3.85Å; Y606-Y610 AromaticContact CD1-CZ 3.76Å; Y606-Y610 WeakPolarHBondContact CD1-OH 3.29Å; Y606-Y610 AromaticContact CE1-CE1 3.55Å; Y606-Y610 HydrophobicContact CE1-CE1 3.55Å; Y606-Y610 AromaticContact CE1-CZ 3.82Å; Y606-Y610 WeakPolarHBondContact CE1-OH 3.36Å; Y606-F655 HydrophobicContact CE2-CB 4.42Å; Y606-F655 WeakPolarHBondContact OH-CA 3.19Å; Y606-Q926 HydrophobicContact CD1-CG 3.9Å; Y606-Q926 HydrophobicContact CD2-CG 4.45Å; Y606-Q926 HydrophobicContact CE1-CG 3.39Å; Y606-Q926 HydrophobicContact CE2-CG 4Å; Y606-Q926 HydrophobicContact CG-CG 4.41Å; Y606-Q926 VanDerWaalsContact CZ-CG 3.47Å |
| 607 | S | 81.5 | Confident | 81.2 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -56.7 | -26.9 | 177.6 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | E605 F609 Y610 | E605-S607 PolarHBondContact O-N 3.05Å; E605-S607 PolarHBondContact OE2-OG 3.27Å; S607-F609 PolarHBondContact O-N 3.49Å; S607-Y610 VanDerWaalsContact CA-CE2 3.48Å; S607-Y610 WeakPolarHBondContact O-CB 3.06Å; S607-Y610 VanDerWaalsContact O-CD2 3.23Å; S607-Y610 WeakPolarHBondContact O-CD2 3.48Å; S607-Y610 PolarHBondContact O-N 3.21Å |
| 608 | R | 85.2 | Confident | 80.7 | Confident | 116 Ų | 116 | 63.2 Ų | 63.2 | 44% | 0.438 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -69.7 | -20.1 | 179.6 | -166.4 | 61.5 | 178.4 | -156.3 | -4 | 112.5 | D558 K561 V604 E605 Y606 Y610 | D558-R608 IonicContact OD1-CZ 3.15Å; D558-R608 IonicContact OD1-NE 3.27Å; D558-R608 PolarHBondContact OD1-NE 2.98Å; D558-R608 IonicContact OD1-NH2 3.45Å; D558-R608 PolarHBondContact OD1-NH2 2.95Å; D558-R608 IonicContact OD2-CZ 3.98Å; D558-R608 IonicContact OD2-NE 2.73Å; D558-R608 IonicContact OD2-NH2 3.96Å; D558-R608 PolarHBondContact OD2-NH2 3.34Å; K561-R608 WeakPolarHBondContact CD-O 3.35Å; K561-R608 WeakPolarHBondContact CE-O 3.21Å; K561-R608 PolarHBondContact NZ-O 3.11Å; V604-R608 HydrophobicContact CB-CB 4.5Å; E605-R608 VanDerWaalsContact O-CB 3.28Å; E605-R608 WeakPolarHBondContact O-CB 3.41Å; E605-R608 PolarHBondContact O-N 3.48Å; Y606-R608 PolarHBondContact O-N 2.73Å; Y606-R608 VanDerWaalsContact O-N 3.1Å; R608-Y610 VanDerWaalsContact C-N 3.33Å |
| 609 | F | 86.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -76.9 | -19.7 | 175.7 | -76.6 | -92.7 | 0 | 0 | 0 | 113.3 | F553 V557 L594 H595 N598 V604 Y606 S607 I611 F655 | F553-F609 HydrophobicContact CE1-CE2 4.41Å; F553-F609 AromaticContact CE1-CZ 3.88Å; F553-F609 HydrophobicContact CE1-CZ 3.88Å; F553-F609 HydrophobicContact CZ-CZ 4.22Å; V557-F609 HydrophobicContact CG1-CD1 3.97Å; V557-F609 HydrophobicContact CG1-CE1 3.97Å; V557-F609 HydrophobicContact CG1-CG 4.34Å; V557-F609 HydrophobicContact CG1-CZ 4.33Å; V557-F609 HydrophobicContact CG2-CE1 3.73Å; V557-F609 HydrophobicContact CG2-CE2 4.44Å; V557-F609 HydrophobicContact CG2-CZ 3.66Å; L594-F609 HydrophobicContact CB-CE1 4.23Å; H595-F609 HydrophobicContact CB-CD1 4.36Å; H595-F609 HydrophobicContact CB-CE1 4.03Å; H595-F609 HydrophobicContact CB-CZ 4.41Å; N598-F609 HydrophobicContact CB-CE2 3.88Å; N598-F609 HydrophobicContact CB-CZ 3.94Å; V604-F609 HydrophobicContact CG2-CD2 4.32Å; V604-F609 HydrophobicContact CG2-CE2 3.58Å; V604-F609 HydrophobicContact CG2-CZ 4.29Å; Y606-F609 PolarHBondContact O-N 3.46Å; S607-F609 PolarHBondContact O-N 3.49Å; F609-I611 PolarHBondContact O-N 3.4Å; F609-F655 HydrophobicContact CB-CD2 4.12Å; F609-F655 WeakPolarHBondContact CB-O 3.41Å; F609-F655 AromaticContact CD1-CD2 3.92Å; F609-F655 HydrophobicContact CD1-CD2 3.92Å; F609-F655 HydrophobicContact CD1-CE2 4.13Å; F609-F655 HydrophobicContact CG-CD2 4.31Å |
| 610 | Y | 86.2 | Confident | 80.1 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 17% | 0.173 | 33% | 0.328 | C | S | . | . | trans | -61.1 | 132.7 | 179.5 | -58.3 | -33.5 | 0 | 0 | 0 | 112.1 | K561 Y606 S607 R608 P612 I656 L657 N658 E929 | K561-Y610 WeakPolarHBondContact CE-O 3.38Å; K561-Y610 PolarHBondContact NZ-O 3.25Å; Y606-Y610 AromaticContact CD1-CE1 3.85Å; Y606-Y610 HydrophobicContact CD1-CE1 3.85Å; Y606-Y610 AromaticContact CD1-CZ 3.76Å; Y606-Y610 WeakPolarHBondContact CD1-OH 3.29Å; Y606-Y610 AromaticContact CE1-CE1 3.55Å; Y606-Y610 HydrophobicContact CE1-CE1 3.55Å; Y606-Y610 AromaticContact CE1-CZ 3.82Å; Y606-Y610 WeakPolarHBondContact CE1-OH 3.36Å; S607-Y610 VanDerWaalsContact CA-CE2 3.48Å; S607-Y610 WeakPolarHBondContact O-CB 3.06Å; S607-Y610 VanDerWaalsContact O-CD2 3.23Å; S607-Y610 WeakPolarHBondContact O-CD2 3.48Å; S607-Y610 PolarHBondContact O-N 3.21Å; R608-Y610 VanDerWaalsContact C-N 3.33Å; Y610-P612 WeakPolarHBondContact O-CD 3.44Å; Y610-I656 WeakPolarHBondContact CA-O 3.32Å; Y610-L657 WeakPolarHBondContact CD1-O 3.22Å; Y610-L657 VanDerWaalsContact CE1-O 3.23Å; Y610-L657 WeakPolarHBondContact CE1-O 3.35Å; Y610-N658 HydrophobicContact CG-CB 4.38Å; Y610-E929 WeakPolarHBondContact CE1-OE1 3.11Å; Y610-E929 VanDerWaalsContact CZ-OE1 3.22Å; Y610-E929 PolarHBondContact OH-OE1 2.85Å | ||
| 611 | I | 82.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -83.5 | 114.1 | 170.5 | -62.6 | 176.7 | 0 | 0 | 0 | 107.3 | V564 V565 F609 I614 I656 | V564-I611 HydrophobicContact CB-CD1 3.87Å; V564-I611 HydrophobicContact CG1-CD1 3.42Å; V564-I611 VanDerWaalsContact CG1-CD1 3.42Å; V564-I611 HydrophobicContact CG2-CD1 4.5Å; V565-I611 HydrophobicContact CG2-CG2 3.64Å; F609-I611 PolarHBondContact O-N 3.4Å; I611-I614 HydrophobicContact CB-CB 4.44Å; I611-I614 HydrophobicContact CB-CD1 4.11Å; I611-I614 HydrophobicContact CD1-CD1 4.3Å; I611-I614 HydrophobicContact CG2-CB 4.4Å; I611-I614 HydrophobicContact CG2-CD1 4.44Å; I611-I656 HydrophobicContact CD1-CB 4.02Å; I611-I656 HydrophobicContact CD1-CD1 4.21Å; I611-I656 HydrophobicContact CD1-CG2 4.26Å; I611-I656 HydrophobicContact CG1-CB 4.18Å; I611-I656 PolarHBondContact N-O 3.22Å | ||
| 612 | P | 71.6 | Confident | 79.7 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 53% | 0.532 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 146.7 | 175.7 | 25.9 | -31.2 | 0 | 0 | 0 | 110 | Y610 I614 | Y610-P612 WeakPolarHBondContact O-CD 3.44Å; P612-I614 PolarHBondContact O-N 3.03Å; P612-I614 VanDerWaalsContact O-N 3.16Å |
| 613 | D | 70.3 | Confident | 79.5 | Confident | 116 Ų | 116 | 57.4 Ų | 57.4 | 62% | 0.62 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 17.7 | 175.9 | -48.3 | -39.3 | 0 | 0 | 0 | 116.1 | S615 S616 L617 | D613-S615 PolarHBondContact O-N 3.05Å; D613-S615 VanDerWaalsContact O-N 3.14Å; D613-S616 WeakPolarHBondContact O-CB 3.27Å; D613-S616 PolarHBondContact O-N 3.33Å; D613-S616 PolarHBondContact O-OG 3.33Å; D613-L617 PolarHBondContact O-N 3.44Å |
| 614 | I | 78.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.3 | -34.9 | 179.4 | -164.8 | 149.8 | 0 | 0 | 0 | 112.9 | I611 P612 S616 L617 V618 L650 I656 L657 A661 | I611-I614 HydrophobicContact CB-CB 4.44Å; I611-I614 HydrophobicContact CB-CD1 4.11Å; I611-I614 HydrophobicContact CD1-CD1 4.3Å; I611-I614 HydrophobicContact CG2-CB 4.4Å; I611-I614 HydrophobicContact CG2-CD1 4.44Å; P612-I614 PolarHBondContact O-N 3.03Å; P612-I614 VanDerWaalsContact O-N 3.16Å; I614-S616 PolarHBondContact O-N 3.18Å; I614-L617 PolarHBondContact O-N 2.98Å; I614-L617 VanDerWaalsContact O-N 3.15Å; I614-V618 PolarHBondContact O-N 3.22Å; I614-L650 HydrophobicContact CD1-CD1 4.47Å; I614-I656 HydrophobicContact CD1-CD1 4.29Å; I614-L657 HydrophobicContact CD1-CD2 3.8Å; I614-L657 HydrophobicContact CG1-CD2 4.39Å; I614-L657 HydrophobicContact CG2-CD2 4.46Å; I614-A661 HydrophobicContact CG2-CB 4.01Å |
| 615 | S | 70.4 | Confident | 79.2 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.5 | -21.2 | 176.2 | -51.1 | 0 | 0 | 0 | 0 | 114.1 | D613 I620 | D613-S615 PolarHBondContact O-N 3.05Å; D613-S615 VanDerWaalsContact O-N 3.14Å; S615-I620 WeakPolarHBondContact OG-CD1 3.32Å |
| 616 | S | 75.3 | Confident | 78.9 | Confident | 94 Ų | 94 | 55.1 Ų | 55.1 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -89.5 | -23.9 | 174.3 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | D613 I614 | D613-S616 WeakPolarHBondContact O-CB 3.27Å; D613-S616 PolarHBondContact O-N 3.33Å; D613-S616 PolarHBondContact O-OG 3.33Å; I614-S616 PolarHBondContact O-N 3.18Å |
| 617 | L | 72.6 | Confident | 78.9 | Confident | 62 Ų | 62 | 54.6 Ų | 54.6 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -90.7 | -29.6 | -173.9 | -65.4 | 176.8 | 0 | 0 | 0 | 112.7 | V565 L568 T569 D613 I614 | V565-L617 HydrophobicContact CG1-CD1 4.45Å; L568-L617 HydrophobicContact CD1-CD1 4.47Å; T569-L617 HydrophobicContact CG2-CD2 3.65Å; D613-L617 PolarHBondContact O-N 3.44Å; I614-L617 PolarHBondContact O-N 2.98Å; I614-L617 VanDerWaalsContact O-N 3.15Å |
| 618 | V | 77.1 | Confident | 78.6 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -135.8 | 138.3 | -175.8 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | L568 I614 I620 D623 L650 | L568-V618 HydrophobicContact CD1-CG2 4.12Å; L568-V618 HydrophobicContact CD2-CG2 3.66Å; L568-V618 HydrophobicContact CG-CG2 4.44Å; I614-V618 PolarHBondContact O-N 3.22Å; V618-I620 PolarHBondContact O-N 3.15Å; V618-I620 VanDerWaalsContact O-N 3.11Å; V618-D623 HydrophobicContact CG1-CB 4.48Å; V618-L650 HydrophobicContact CB-CD1 4.3Å; V618-L650 HydrophobicContact CG1-CD1 4.15Å; V618-L650 HydrophobicContact CG2-CD1 3.76Å |
| 619 | D | 79.6 | Confident | 78 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | trans | -72.5 | 99.8 | 166.1 | -168.8 | -25.1 | 0 | 0 | 0 | 109.5 | Q621 E622 D623 | D619-Q621 PolarHBondContact O-N 3.03Å; D619-Q621 WeakPolarHBondContact OD1-CB 3.43Å; D619-Q621 PolarHBondContact OD1-N 3.05Å; D619-E622 HydrophobicContact CB-CB 4.32Å; D619-E622 HydrophobicContact CB-CG 4.45Å; D619-E622 PolarHBondContact OD1-N 3.47Å; D619-D623 PolarHBondContact O-N 3.32Å; D619-D623 VanDerWaalsContact O-N 3.15Å | ||
| 620 | I | 80.7 | Confident | 77.2 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -29.2 | -178.4 | -63.4 | 156.1 | 0 | 0 | 0 | 111.1 | S615 V618 Y624 A661 M665 | S615-I620 WeakPolarHBondContact OG-CD1 3.32Å; V618-I620 PolarHBondContact O-N 3.15Å; V618-I620 VanDerWaalsContact O-N 3.11Å; I620-Y624 VanDerWaalsContact O-CB 3.29Å; I620-Y624 WeakPolarHBondContact O-CB 3.37Å; I620-Y624 PolarHBondContact O-N 2.93Å; I620-A661 HydrophobicContact CD1-CB 3.38Å; I620-A661 HydrophobicContact CG1-CB 4.36Å; I620-M665 HydrophobicContact CG2-CG 3.46Å; I620-M665 VanDerWaalsContact CG2-CG 3.46Å; I620-M665 HydrophobicContact CG2-SD 4.44Å |
| 621 | Q | 79.4 | Confident | 76.3 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68 | -47.7 | -179.4 | -55.7 | -171 | -33.5 | 0 | 0 | 110 | D619 Y624 L625 T664 T668 | D619-Q621 PolarHBondContact O-N 3.03Å; D619-Q621 WeakPolarHBondContact OD1-CB 3.43Å; D619-Q621 PolarHBondContact OD1-N 3.05Å; Q621-Y624 PolarHBondContact O-N 3Å; Q621-L625 WeakPolarHBondContact O-CG 3.36Å; Q621-L625 PolarHBondContact O-N 3.28Å; Q621-T664 HydrophobicContact CG-CG2 3.86Å; Q621-T668 HydrophobicContact CB-CG2 4.36Å; Q621-T668 WeakPolarHBondContact CG-OG1 3.27Å |
| 622 | E | 79.4 | Confident | 75.2 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 175.5 | -75.4 | -163.1 | 175 | 0 | 0 | 112.9 | D619 Y624 L625 K626 | D619-E622 HydrophobicContact CB-CB 4.32Å; D619-E622 HydrophobicContact CB-CG 4.45Å; D619-E622 PolarHBondContact OD1-N 3.47Å; E622-Y624 VanDerWaalsContact C-N 3.34Å; E622-L625 PolarHBondContact O-N 3.04Å; E622-K626 WeakPolarHBondContact O-CG 3.48Å; E622-K626 PolarHBondContact O-N 3.17Å; E622-K626 IonicContact OE2-NZ 3.12Å |
| 623 | D | 80.6 | Confident | 74.1 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 10% | 0.102 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 179 | -167.6 | 74.3 | 0 | 0 | 0 | 111.4 | V618 D619 K626 W627 N649 L650 C651 | V618-D623 HydrophobicContact CG1-CB 4.48Å; D619-D623 PolarHBondContact O-N 3.32Å; D619-D623 VanDerWaalsContact O-N 3.15Å; D623-K626 PolarHBondContact O-N 2.92Å; D623-W627 WeakPolarHBondContact O-CB 3.38Å; D623-W627 PolarHBondContact O-N 2.67Å; D623-N649 WeakPolarHBondContact OD1-CA 3.48Å; D623-L650 PolarHBondContact OD1-N 2.88Å; D623-L650 WeakPolarHBondContact OD2-CA 3.3Å; D623-L650 PolarHBondContact OD2-N 2.96Å; D623-C651 PolarHBondContact OD2-N 3.25Å; D623-C651 PolarHBondContact OD2-SG 3Å |
| 624 | Y | 81.4 | Confident | 73.1 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 174.8 | -178.5 | -107.1 | 0 | 0 | 0 | 111.8 | I620 Q621 E622 K626 W627 F628 M665 T668 D669 I921 | I620-Y624 VanDerWaalsContact O-CB 3.29Å; I620-Y624 WeakPolarHBondContact O-CB 3.37Å; I620-Y624 PolarHBondContact O-N 2.93Å; Q621-Y624 PolarHBondContact O-N 3Å; E622-Y624 VanDerWaalsContact C-N 3.34Å; Y624-K626 VanDerWaalsContact C-N 3.34Å; Y624-K626 PolarHBondContact O-N 2.9Å; Y624-W627 AromaticContact CD2-CE3 3.91Å; Y624-W627 HydrophobicContact CD2-CE3 3.91Å; Y624-W627 HydrophobicContact CD2-CZ3 4.3Å; Y624-W627 AromaticContact CE2-CE3 3.67Å; Y624-W627 HydrophobicContact CE2-CE3 3.67Å; Y624-W627 AromaticContact CE2-CZ3 3.64Å; Y624-W627 HydrophobicContact CE2-CZ3 3.64Å; Y624-W627 PolarHBondContact O-N 2.87Å; Y624-F628 WeakPolarHBondContact O-CB 3.48Å; Y624-F628 PolarHBondContact O-N 3.33Å; Y624-M665 HydrophobicContact CD2-CB 4.17Å; Y624-M665 HydrophobicContact CD2-CE 3.73Å; Y624-M665 HydrophobicContact CD2-CG 4.33Å; Y624-M665 HydrophobicContact CE2-CE 4.19Å; Y624-M665 HydrophobicContact CG-CB 4.47Å; Y624-T668 HydrophobicContact CD1-CG2 3.98Å; Y624-D669 HydrophobicContact CE1-CB 3.75Å; Y624-D669 WeakPolarHBondContact OH-CB 3.16Å; Y624-D669 PolarHBondContact OH-OD1 2.91Å; Y624-I921 HydrophobicContact CD2-CD1 4.35Å; Y624-I921 HydrophobicContact CE2-CD1 3.58Å |
| 625 | L | 79.1 | Confident | 71.2 | Confident | 66 Ų | 66 | 76.5 Ų | 76.5 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 178 | -70.8 | 172.5 | 0 | 0 | 0 | 111.5 | Q621 E622 F628 L629 T668 L672 | Q621-L625 WeakPolarHBondContact O-CG 3.36Å; Q621-L625 PolarHBondContact O-N 3.28Å; E622-L625 PolarHBondContact O-N 3.04Å; L625-F628 PolarHBondContact O-N 3.5Å; L625-L629 WeakPolarHBondContact O-CB 3.43Å; L625-L629 WeakPolarHBondContact O-CG 3.48Å; L625-L629 PolarHBondContact O-N 3.06Å; L625-T668 HydrophobicContact CD2-CG2 4.4Å; L625-T668 HydrophobicContact CG-CG2 4.38Å; L625-L672 HydrophobicContact CD2-CD1 4.42Å; L625-L672 HydrophobicContact CD2-CD2 4.16Å |
| 626 | K | 78.4 | Confident | 69.4 | Low | 94 Ų | 94 | 82.2 Ų | 82.2 | 41% | 0.409 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 174.7 | -73.2 | 170.2 | -172.5 | 158.2 | 0 | 111.5 | E622 D623 Y624 T630 | E622-K626 WeakPolarHBondContact O-CG 3.48Å; E622-K626 PolarHBondContact O-N 3.17Å; E622-K626 IonicContact OE2-NZ 3.12Å; D623-K626 PolarHBondContact O-N 2.92Å; Y624-K626 VanDerWaalsContact C-N 3.34Å; Y624-K626 PolarHBondContact O-N 2.9Å; K626-T630 WeakPolarHBondContact O-CB 3.42Å; K626-T630 PolarHBondContact O-N 3.33Å; K626-T630 PolarHBondContact O-OG1 2.6Å |
| 627 | W | 80.9 | Confident | 67.3 | Low | 32 Ų | 32 | 82.1 Ų | 82.1 | 12% | 0.121 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63 | -47 | 176.8 | 179.1 | 77.2 | 0 | 0 | 0 | 112.7 | D623 Y624 T630 K631 N649 C651 L924 | D623-W627 WeakPolarHBondContact O-CB 3.38Å; D623-W627 PolarHBondContact O-N 2.67Å; Y624-W627 AromaticContact CD2-CE3 3.91Å; Y624-W627 HydrophobicContact CD2-CE3 3.91Å; Y624-W627 HydrophobicContact CD2-CZ3 4.3Å; Y624-W627 AromaticContact CE2-CE3 3.67Å; Y624-W627 HydrophobicContact CE2-CE3 3.67Å; Y624-W627 AromaticContact CE2-CZ3 3.64Å; Y624-W627 HydrophobicContact CE2-CZ3 3.64Å; Y624-W627 PolarHBondContact O-N 2.87Å; W627-T630 PolarHBondContact O-N 3.49Å; W627-K631 HydrophobicContact CH2-CD 4.41Å; W627-K631 HydrophobicContact CZ2-CD 4.17Å; W627-K631 WeakPolarHBondContact O-CB 3.32Å; W627-K631 PolarHBondContact O-N 3.37Å; W627-N649 WeakPolarHBondContact CA-ND2 3.37Å; W627-N649 HydrophobicContact CB-CB 3.96Å; W627-N649 HydrophobicContact CG-CB 4.41Å; W627-C651 HydrophobicContact CB-CB 3.87Å; W627-C651 HydrophobicContact CD2-CB 4.09Å; W627-C651 HydrophobicContact CE3-CB 4.46Å; W627-C651 HydrophobicContact CG-CB 3.83Å; W627-L924 HydrophobicContact CH2-CD1 4.28Å |
| 628 | F | 75.1 | Confident | 65.4 | Low | 69 Ų | 69 | 84 Ų | 84 | 30% | 0.303 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 177.9 | -175.9 | -93.3 | 0 | 0 | 0 | 111.4 | Y624 L625 K631 A632 L672 | Y624-F628 WeakPolarHBondContact O-CB 3.48Å; Y624-F628 PolarHBondContact O-N 3.33Å; L625-F628 PolarHBondContact O-N 3.5Å; F628-K631 PolarHBondContact O-N 3.43Å; F628-A632 WeakPolarHBondContact O-CB 3.4Å; F628-A632 PolarHBondContact O-N 2.62Å; F628-L672 HydrophobicContact CD1-CD2 3.9Å; F628-L672 HydrophobicContact CE1-CD2 3.84Å; F628-L672 HydrophobicContact CG-CD2 4.38Å; F628-L672 HydrophobicContact CZ-CD2 4.28Å |
| 629 | L | 73.5 | Confident | 63.2 | Low | 108 Ų | 108 | 87.9 Ų | 87.9 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 176.8 | -71.3 | 170.5 | 0 | 0 | 0 | 112.2 | L625 K631 A632 D633 | L625-L629 WeakPolarHBondContact O-CB 3.43Å; L625-L629 WeakPolarHBondContact O-CG 3.48Å; L625-L629 PolarHBondContact O-N 3.06Å; L629-K631 PolarHBondContact O-N 2.8Å; L629-A632 PolarHBondContact O-N 2.92Å; L629-A632 VanDerWaalsContact O-N 3.1Å; L629-D633 PolarHBondContact O-N 3.05Å |
| 630 | T | 69.8 | Low | 61.1 | Low | 84 Ų | 84 | 89.5 Ų | 89.5 | 52% | 0.515 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -34.8 | 177.2 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | K626 W627 | K626-T630 WeakPolarHBondContact O-CB 3.42Å; K626-T630 PolarHBondContact O-N 3.33Å; K626-T630 PolarHBondContact O-OG1 2.6Å; W627-T630 PolarHBondContact O-N 3.49Å |
| 631 | K | 67 | Low | 58.8 | Low | 100 Ų | 100 | 93.1 Ų | 93.1 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -79.4 | -31.3 | 178.2 | -151.6 | 179.1 | -178.2 | -173.4 | 0 | 112.5 | W627 F628 L629 E920 | W627-K631 HydrophobicContact CH2-CD 4.41Å; W627-K631 HydrophobicContact CZ2-CD 4.17Å; W627-K631 WeakPolarHBondContact O-CB 3.32Å; W627-K631 PolarHBondContact O-N 3.37Å; F628-K631 PolarHBondContact O-N 3.43Å; L629-K631 PolarHBondContact O-N 2.8Å; K631-E920 WeakPolarHBondContact CE-OE2 3.33Å; K631-E920 IonicContact NZ-OE1 2.93Å; K631-E920 PolarHBondContact NZ-OE1 3.1Å; K631-E920 IonicContact NZ-OE2 2.67Å; K631-E920 PolarHBondContact NZ-OE2 3.09Å |
| 632 | A | 58.2 | Low | 56.7 | Low | 59 Ų | 59 | 98.3 Ų | 98.3 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -78 | -18.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F628 L629 I634 | F628-A632 WeakPolarHBondContact O-CB 3.4Å; F628-A632 PolarHBondContact O-N 2.62Å; L629-A632 PolarHBondContact O-N 2.92Å; L629-A632 VanDerWaalsContact O-N 3.1Å; A632-I634 PolarHBondContact O-N 3.26Å |
| 633 | D | 48 | Very low | 54.4 | Low | 113 Ų | 113 | 99.8 Ų | 99.8 | 60% | 0.604 | 56% | 0.56 | S | S | * | * | trans | -71.9 | 23.8 | -176.1 | -115.9 | -11.4 | 0 | 0 | 0 | 116 | L629 K635 | L629-D633 PolarHBondContact O-N 3.05Å; D633-K635 PolarHBondContact O-N 3.07Å | ||
| 634 | I | 50.8 | Low | 52.2 | Low | 145 Ų | 145 | 105.7 Ų | 105.7 | 74% | 0.744 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -89 | 77.6 | 154.1 | -53.8 | 176.3 | 0 | 0 | 0 | 107.4 | A632 | A632-I634 PolarHBondContact O-N 3.26Š|
| 635 | K | 38.8 | Very low | 50.1 | Low | 197 Ų | 197 | 112 Ų | 112 | 86% | 0.857 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 159.6 | 11.5 | 146 | -90.2 | 171 | 180 | 179.1 | 0 | 119.1 | D633 | D633-K635 PolarHBondContact O-N 3.07Š|
| 636 | M | 30.8 | Very low | 48.6 | Very low | 163 Ų | 163 | 114 Ų | 114 | 80% | 0.803 | 64% | 0.637 | S | S | * | * | trans | -111.7 | 107.1 | 164.8 | -79 | -142.9 | -165.7 | 0 | 0 | 111.5 | S638 | M636-S638 PolarHBondContact O-N 3.41Š| ||
| 637 | G | 33.2 | Very low | 47.5 | Very low | 92 Ų | 92 | 112.4 Ų | 112.4 | 95% | 0.948 | 64% | 0.637 | S | S | * | * | trans | -60.2 | 97.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 638 | S | 32.1 | Very low | 46.7 | Very low | 102 Ų | 102 | 112.1 Ų | 112.1 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | trans | -124.6 | 129.8 | 155.4 | 61.3 | 0 | 0 | 0 | 0 | 107.9 | M636 | M636-S638 PolarHBondContact O-N 3.41Š| ||
| 639 | S | 31.1 | Very low | 46.7 | Very low | 111 Ų | 111 | 109.5 Ų | 109.5 | 78% | 0.776 | 63% | 0.628 | S | S | * | * | trans | -53.7 | 139.8 | -175.8 | -41.3 | 0 | 0 | 0 | 0 | 110.9 | S641 | S639-S641 PolarHBondContact O-N 3.45Š| ||
| 640 | P | 35.1 | Very low | 47 | Very low | 119 Ų | 119 | 104.8 Ų | 104.8 | 77% | 0.773 | 60% | 0.603 | S | S | * | * | trans | -68.5 | 109.5 | 176.2 | 27.5 | -30.5 | 0 | 0 | 0 | 108.8 | Q642 | P640-Q642 PolarHBondContact O-N 2.95Š| ||
| 641 | S | 31.9 | Very low | 47.4 | Very low | 88 Ų | 88 | 100.8 Ų | 100.8 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | trans | -60.3 | 122.4 | 158 | 36.2 | 0 | 0 | 0 | 0 | 107.5 | S639 N643 | S639-S641 PolarHBondContact O-N 3.45Å; S641-N643 PolarHBondContact O-N 3.11Å | ||
| 642 | Q | 35.1 | Very low | 47.9 | Very low | 193 Ų | 193 | 98.5 Ų | 98.5 | 90% | 0.902 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 23.3 | -168 | -86.6 | -176.3 | -23.9 | 0 | 0 | 116.6 | P640 | P640-Q642 PolarHBondContact O-N 2.95Š|
| 643 | N | 30.9 | Very low | 49.2 | Very low | 136 Ų | 136 | 96.6 Ų | 96.6 | 73% | 0.727 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.5 | 5.6 | -177.8 | -93.5 | -19.8 | 0 | 0 | 0 | 117.7 | S641 | S641-N643 PolarHBondContact O-N 3.11Š|
| 644 | D | 34.5 | Very low | 50.8 | Low | 143 Ų | 143 | 92.5 Ų | 92.5 | 77% | 0.765 | 54% | 0.539 | S | S | * | . | trans | -101.1 | 94.9 | 173.2 | -70.1 | -35.4 | 0 | 0 | 0 | 110.2 | ||||
| 645 | F | 38.8 | Very low | 52.4 | Low | 138 Ų | 138 | 86 Ų | 86 | 61% | 0.605 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 144.6 | 168 | -67.8 | -87.4 | 0 | 0 | 0 | 109.4 | S647 | F645-S647 PolarHBondContact O-N 3.3Å; F645-S647 VanDerWaalsContact O-N 3.14Å |
| 646 | P | 46.2 | Very low | 54.7 | Low | 108 Ų | 108 | 76.7 Ų | 76.7 | 70% | 0.701 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 119.3 | -179.4 | 25 | -31.8 | 0 | 0 | 0 | 109.6 | ||
| 647 | S | 55.8 | Low | 57.3 | Low | 60 Ų | 60 | 69.1 Ų | 69.1 | 42% | 0.42 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 137.6 | 172.9 | 54 | 0 | 0 | 0 | 0 | 110 | F645 N649 | F645-S647 PolarHBondContact O-N 3.3Å; F645-S647 VanDerWaalsContact O-N 3.14Å; S647-N649 PolarHBondContact O-N 3.43Å; S647-N649 PolarHBondContact O-OD1 3.37Å; S647-N649 VanDerWaalsContact O-OD1 3.13Å; S647-N649 PolarHBondContact OG-OD1 3.12Å |
| 648 | V | 64.9 | Low | 59.7 | Low | 26 Ų | 26 | 66.2 Ų | 66.2 | 16% | 0.158 | 39% | 0.39 | C | S | . | . | trans | -70.5 | 112.8 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | D581 F584 L585 L588 | D581-V648 HydrophobicContact CB-CG2 4.26Å; F584-V648 HydrophobicContact CD1-CB 3.78Å; F584-V648 HydrophobicContact CD1-CG1 3.6Å; F584-V648 HydrophobicContact CD1-CG2 4.25Å; F584-V648 HydrophobicContact CE1-CB 4.28Å; F584-V648 HydrophobicContact CE1-CG1 3.95Å; L585-V648 HydrophobicContact CB-CG2 4.04Å; L585-V648 HydrophobicContact CD1-CG1 4.35Å; L588-V648 HydrophobicContact CD1-CG1 3.67Å | ||
| 649 | N | 74.8 | Confident | 62 | Low | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.08 | 37% | 0.366 | C | S | . | . | trans | -92.1 | 122.7 | -179.2 | -56 | -28 | 0 | 0 | 0 | 110 | D623 W627 S647 C651 A652 | D623-N649 WeakPolarHBondContact OD1-CA 3.48Å; W627-N649 WeakPolarHBondContact CA-ND2 3.37Å; W627-N649 HydrophobicContact CB-CB 3.96Å; W627-N649 HydrophobicContact CG-CB 4.41Å; S647-N649 PolarHBondContact O-N 3.43Å; S647-N649 PolarHBondContact O-OD1 3.37Å; S647-N649 VanDerWaalsContact O-OD1 3.13Å; S647-N649 PolarHBondContact OG-OD1 3.12Å; N649-C651 VanDerWaalsContact C-N 3.25Å; N649-C651 PolarHBondContact O-N 3.18Å; N649-A652 WeakPolarHBondContact O-CB 3.33Å; N649-A652 PolarHBondContact O-N 3.2Å | ||
| 650 | L | 79.5 | Confident | 64.4 | Low | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -67.9 | -29.6 | 177.9 | -73.5 | 166.6 | 0 | 0 | 0 | 111.8 | L568 F584 L588 I614 V618 D623 A652 F653 I656 | L568-L650 HydrophobicContact CD2-CD1 4.37Å; F584-L650 HydrophobicContact CE1-CD2 4.05Å; F584-L650 HydrophobicContact CE1-CG 4.41Å; F584-L650 HydrophobicContact CZ-CD2 3.8Å; F584-L650 HydrophobicContact CZ-CG 4.39Å; L588-L650 HydrophobicContact CD1-CD2 4Å; L588-L650 HydrophobicContact CD2-CD2 4.12Å; I614-L650 HydrophobicContact CD1-CD1 4.47Å; V618-L650 HydrophobicContact CB-CD1 4.3Å; V618-L650 HydrophobicContact CG1-CD1 4.15Å; V618-L650 HydrophobicContact CG2-CD1 3.76Å; D623-L650 PolarHBondContact OD1-N 2.88Å; D623-L650 WeakPolarHBondContact OD2-CA 3.3Å; D623-L650 PolarHBondContact OD2-N 2.96Å; L650-A652 PolarHBondContact O-N 3.4Å; L650-A652 VanDerWaalsContact O-N 3.1Å; L650-F653 PolarHBondContact O-N 3.38Å; L650-I656 HydrophobicContact CB-CD1 4.49Å; L650-I656 HydrophobicContact CD2-CD1 3.5Å; L650-I656 VanDerWaalsContact CD2-CD1 3.5Å |
| 651 | C | 77.1 | Confident | 66.7 | Low | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -58.5 | -20.3 | 174.5 | -65.9 | 0 | 0 | 0 | 0 | 113.6 | D623 W627 N649 F653 M665 | D623-C651 PolarHBondContact OD2-N 3.25Å; D623-C651 PolarHBondContact OD2-SG 3Å; W627-C651 HydrophobicContact CB-CB 3.87Å; W627-C651 HydrophobicContact CD2-CB 4.09Å; W627-C651 HydrophobicContact CE3-CB 4.46Å; W627-C651 HydrophobicContact CG-CB 3.83Å; N649-C651 VanDerWaalsContact C-N 3.25Å; N649-C651 PolarHBondContact O-N 3.18Å; C651-F653 PolarHBondContact O-N 3.46Å; C651-M665 HydrophobicContact CB-CE 3.75Å |
| 652 | A | 78.9 | Confident | 69.2 | Low | 52 Ų | 52 | 50.7 Ų | 50.7 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -70.8 | -13.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N649 L650 P654 | N649-A652 WeakPolarHBondContact O-CB 3.33Å; N649-A652 PolarHBondContact O-N 3.2Å; L650-A652 PolarHBondContact O-N 3.4Å; L650-A652 VanDerWaalsContact O-N 3.1Å; A652-P654 WeakPolarHBondContact O-CD 3.4Å |
| 653 | F | 84.3 | Confident | 71.5 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | trans | -121.7 | 77.7 | -179 | -57.7 | -84 | 0 | 0 | 0 | 110.9 | L585 L588 Q589 E592 L650 C651 F655 I656 | L585-F653 HydrophobicContact CD1-CZ 4.25Å; L588-F653 HydrophobicContact CB-CD1 4.36Å; L588-F653 HydrophobicContact CB-CD2 4.04Å; L588-F653 HydrophobicContact CB-CE1 4.09Å; L588-F653 HydrophobicContact CB-CE2 3.75Å; L588-F653 HydrophobicContact CB-CG 4.33Å; L588-F653 HydrophobicContact CB-CZ 3.77Å; L588-F653 HydrophobicContact CD1-CD2 3.9Å; L588-F653 HydrophobicContact CD1-CE2 3.81Å; L588-F653 HydrophobicContact CG-CD2 4.39Å; L588-F653 HydrophobicContact CG-CE2 4.37Å; Q589-F653 HydrophobicContact CG-CZ 4.42Å; E592-F653 HydrophobicContact CB-CD1 4.22Å; E592-F653 HydrophobicContact CB-CE1 4.19Å; E592-F653 HydrophobicContact CG-CD1 4.43Å; E592-F653 HydrophobicContact CG-CE1 4.5Å; L650-F653 PolarHBondContact O-N 3.38Å; C651-F653 PolarHBondContact O-N 3.46Å; F653-F655 VanDerWaalsContact C-N 3.26Å; F653-F655 HydrophobicContact CB-CD1 4.44Å; F653-F655 HydrophobicContact CB-CE1 3.9Å; F653-F655 HydrophobicContact CB-CZ 4.37Å; F653-F655 AromaticContact CD1-CE1 3.92Å; F653-F655 HydrophobicContact CD1-CE1 3.92Å; F653-F655 HydrophobicContact CD1-CZ 4.35Å; F653-F655 HydrophobicContact CG-CE1 4.4Å; F653-F655 PolarHBondContact O-N 2.91Å; F653-F655 VanDerWaalsContact O-N 3.13Å; F653-I656 HydrophobicContact CB-CD1 4.3Å; F653-I656 HydrophobicContact CB-CG1 4.08Å; F653-I656 WeakPolarHBondContact O-CG1 3.45Å; F653-I656 PolarHBondContact O-N 3.3Å | ||
| 654 | P | 82.3 | Confident | 73.9 | Confident | 27 Ų | 27 | 36.5 Ų | 36.5 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -62 | -26.2 | -173.9 | -26.4 | 35 | 0 | 0 | 0 | 115.7 | A652 I656 L657 K662 L924 | A652-P654 WeakPolarHBondContact O-CD 3.4Å; P654-I656 PolarHBondContact O-N 2.9Å; P654-L657 PolarHBondContact O-N 3.38Å; P654-L657 VanDerWaalsContact O-N 3.16Å; P654-K662 WeakPolarHBondContact O-CE 3.4Å; P654-K662 PolarHBondContact O-NZ 2.93Å; P654-L924 HydrophobicContact CB-CB 3.9Å; P654-L924 HydrophobicContact CB-CD2 4.5Å; P654-L924 HydrophobicContact CG-CB 3.84Å; P654-L924 HydrophobicContact CG-CD1 4.27Å; P654-L924 HydrophobicContact CG-CD2 3.53Å; P654-L924 HydrophobicContact CG-CG 4.05Å |
| 655 | F | 84.9 | Confident | 76.3 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -70.6 | -16.2 | -174.2 | 67.1 | -91 | 0 | 0 | 0 | 113.9 | L591 E592 H595 Y606 F609 F653 | L591-F655 HydrophobicContact CB-CE2 3.96Å; L591-F655 HydrophobicContact CB-CZ 4.01Å; E592-F655 HydrophobicContact CB-CE1 3.92Å; E592-F655 HydrophobicContact CB-CZ 4.01Å; E592-F655 HydrophobicContact CG-CE1 4.03Å; H595-F655 HydrophobicContact CB-CD1 4.33Å; H595-F655 HydrophobicContact CB-CD2 3.92Å; H595-F655 HydrophobicContact CB-CE1 4.47Å; H595-F655 HydrophobicContact CB-CE2 4.07Å; H595-F655 HydrophobicContact CB-CG 4.07Å; H595-F655 HydrophobicContact CB-CZ 4.37Å; H595-F655 AromaticContact CD2-CD1 3.89Å; H595-F655 AromaticContact CD2-CG 3.83Å; H595-F655 AromaticContact CG-CD2 3.96Å; H595-F655 AromaticContact CG-CG 3.71Å; Y606-F655 HydrophobicContact CE2-CB 4.42Å; Y606-F655 WeakPolarHBondContact OH-CA 3.19Å; F609-F655 HydrophobicContact CB-CD2 4.12Å; F609-F655 WeakPolarHBondContact CB-O 3.41Å; F609-F655 AromaticContact CD1-CD2 3.92Å; F609-F655 HydrophobicContact CD1-CD2 3.92Å; F609-F655 HydrophobicContact CD1-CE2 4.13Å; F609-F655 HydrophobicContact CG-CD2 4.31Å; F653-F655 VanDerWaalsContact C-N 3.26Å; F653-F655 HydrophobicContact CB-CD1 4.44Å; F653-F655 HydrophobicContact CB-CE1 3.9Å; F653-F655 HydrophobicContact CB-CZ 4.37Å; F653-F655 AromaticContact CD1-CE1 3.92Å; F653-F655 HydrophobicContact CD1-CE1 3.92Å; F653-F655 HydrophobicContact CD1-CZ 4.35Å; F653-F655 HydrophobicContact CG-CE1 4.4Å; F653-F655 PolarHBondContact O-N 2.91Å; F653-F655 VanDerWaalsContact O-N 3.13Å |
| 656 | I | 86.6 | Confident | 78.5 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -88 | -16.4 | 173.9 | 54.7 | 156.9 | 0 | 0 | 0 | 112.9 | L588 Y610 I611 I614 L650 F653 P654 | L588-I656 HydrophobicContact CD2-CD1 3.93Å; Y610-I656 WeakPolarHBondContact CA-O 3.32Å; I611-I656 HydrophobicContact CD1-CB 4.02Å; I611-I656 HydrophobicContact CD1-CD1 4.21Å; I611-I656 HydrophobicContact CD1-CG2 4.26Å; I611-I656 HydrophobicContact CG1-CB 4.18Å; I611-I656 PolarHBondContact N-O 3.22Å; I614-I656 HydrophobicContact CD1-CD1 4.29Å; L650-I656 HydrophobicContact CB-CD1 4.49Å; L650-I656 HydrophobicContact CD2-CD1 3.5Å; L650-I656 VanDerWaalsContact CD2-CD1 3.5Å; F653-I656 HydrophobicContact CB-CD1 4.3Å; F653-I656 HydrophobicContact CB-CG1 4.08Å; F653-I656 WeakPolarHBondContact O-CG1 3.45Å; F653-I656 PolarHBondContact O-N 3.3Å; P654-I656 PolarHBondContact O-N 2.9Å |
| 657 | L | 85.6 | Confident | 80.3 | Confident | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -85.2 | 131.7 | -177.1 | -58.8 | 177.3 | 0 | 0 | 0 | 109.6 | Y610 I614 P654 A661 K662 M665 | Y610-L657 WeakPolarHBondContact CD1-O 3.22Å; Y610-L657 VanDerWaalsContact CE1-O 3.23Å; Y610-L657 WeakPolarHBondContact CE1-O 3.35Å; I614-L657 HydrophobicContact CD1-CD2 3.8Å; I614-L657 HydrophobicContact CG1-CD2 4.39Å; I614-L657 HydrophobicContact CG2-CD2 4.46Å; P654-L657 PolarHBondContact O-N 3.38Å; P654-L657 VanDerWaalsContact O-N 3.16Å; L657-A661 HydrophobicContact CB-CB 4.21Å; L657-A661 HydrophobicContact CD2-CB 4.32Å; L657-K662 HydrophobicContact CB-CG 3.91Å; L657-K662 VanDerWaalsContact O-CE 3.31Å; L657-K662 WeakPolarHBondContact O-CE 3.36Å; L657-M665 HydrophobicContact CD1-CE 4.3Å; L657-M665 HydrophobicContact CD1-SD 3.4Å; L657-M665 WeakPolarHBondContact CD1-SD 3.37Å |
| 658 | N | 83.6 | Confident | 81.7 | Confident | 31 Ų | 31 | 18.7 Ų | 18.7 | 17% | 0.166 | 11% | 0.109 | C | C | . | . | trans | -74.1 | 169.2 | 172.7 | 67.1 | -1.7 | 0 | 0 | 0 | 110.8 | Y610 Q660 A661 K662 | Y610-N658 HydrophobicContact CG-CB 4.38Å; N658-Q660 VanDerWaalsContact C-N 3.25Å; N658-Q660 PolarHBondContact O-N 3.34Å; N658-A661 PolarHBondContact O-N 3.11Å; N658-A661 WeakPolarHBondContact OD1-CB 3.46Å; N658-A661 PolarHBondContact OD1-N 3.12Å; N658-K662 PolarHBondContact O-N 3.08Å; N658-K662 VanDerWaalsContact O-N 3.14Å | ||
| 659 | A | 80.6 | Confident | 82.6 | Confident | 23 Ų | 23 | 17.9 Ų | 17.9 | 19% | 0.19 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.6 | -38.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A661 K662 T663 E929 I992 | A659-A661 PolarHBondContact O-N 2.91Å; A659-K662 PolarHBondContact O-N 3.17Å; A659-T663 PolarHBondContact O-N 3.47Å; A659-T663 PolarHBondContact O-OG1 2.8Å; A659-T663 VanDerWaalsContact O-OG1 3.08Å; A659-E929 HydrophobicContact CB-CB 4.16Å; A659-E929 HydrophobicContact CB-CG 4.06Å; A659-I992 HydrophobicContact CB-CD1 3.63Å; A659-I992 HydrophobicContact CB-CG1 4.45Å |
| 660 | Q | 80.4 | Confident | 83 | Confident | 70 Ų | 70 | 17.4 Ų | 17.4 | 33% | 0.327 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 177.1 | -174.7 | 178.5 | -5.7 | 0 | 0 | 112.6 | N658 T663 T664 H993 | N658-Q660 VanDerWaalsContact C-N 3.25Å; N658-Q660 PolarHBondContact O-N 3.34Å; Q660-T663 PolarHBondContact O-N 3.13Å; Q660-T664 PolarHBondContact O-N 3.06Å; Q660-T664 VanDerWaalsContact O-N 3.08Å; Q660-T664 PolarHBondContact O-OG1 3.32Å; Q660-H993 WeakPolarHBondContact CG-ND1 3.49Å; Q660-H993 PolarHBondContact NE2-ND1 2.92Å |
| 661 | A | 82.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I614 I620 L657 N658 A659 T663 T664 M665 | I614-A661 HydrophobicContact CG2-CB 4.01Å; I620-A661 HydrophobicContact CD1-CB 3.38Å; I620-A661 HydrophobicContact CG1-CB 4.36Å; L657-A661 HydrophobicContact CB-CB 4.21Å; L657-A661 HydrophobicContact CD2-CB 4.32Å; N658-A661 PolarHBondContact O-N 3.11Å; N658-A661 WeakPolarHBondContact OD1-CB 3.46Å; N658-A661 PolarHBondContact OD1-N 3.12Å; A659-A661 PolarHBondContact O-N 2.91Å; A661-T663 VanDerWaalsContact C-N 3.34Å; A661-T663 PolarHBondContact O-N 3.42Å; A661-T664 WeakPolarHBondContact O-CB 3.29Å; A661-T664 PolarHBondContact O-N 3.43Å; A661-M665 WeakPolarHBondContact O-CG 3.17Å; A661-M665 PolarHBondContact O-N 3.27Å |
| 662 | K | 85.6 | Confident | 83.4 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.7 | -38.4 | 177 | -64 | -177.4 | -174.1 | -177.6 | 0 | 111.8 | P654 L657 N658 A659 T664 M665 L666 L924 F925 E929 | P654-K662 WeakPolarHBondContact O-CE 3.4Å; P654-K662 PolarHBondContact O-NZ 2.93Å; L657-K662 HydrophobicContact CB-CG 3.91Å; L657-K662 VanDerWaalsContact O-CE 3.31Å; L657-K662 WeakPolarHBondContact O-CE 3.36Å; N658-K662 PolarHBondContact O-N 3.08Å; N658-K662 VanDerWaalsContact O-N 3.14Å; A659-K662 PolarHBondContact O-N 3.17Å; K662-T664 VanDerWaalsContact C-N 3.35Å; K662-T664 PolarHBondContact O-N 3.13Å; K662-M665 WeakPolarHBondContact O-CB 3.27Å; K662-M665 PolarHBondContact O-N 2.92Å; K662-M665 VanDerWaalsContact O-N 3.17Å; K662-L666 PolarHBondContact O-N 2.65Å; K662-L924 WeakPolarHBondContact CE-O 3.49Å; K662-L924 PolarHBondContact NZ-O 2.64Å; K662-F925 VanDerWaalsContact C-CZ 3.43Å; K662-F925 HydrophobicContact CB-CD1 3.93Å; K662-F925 HydrophobicContact CB-CE1 3.36Å; K662-F925 HydrophobicContact CB-CE2 4.23Å; K662-F925 HydrophobicContact CB-CZ 3.55Å; K662-F925 HydrophobicContact CD-CD1 4.12Å; K662-F925 HydrophobicContact CD-CE1 4.4Å; K662-F925 HydrophobicContact CD-CG 4.41Å; K662-F925 VanDerWaalsContact O-CZ 3.23Å; K662-F925 WeakPolarHBondContact O-CZ 3.43Å; K662-E929 VanDerWaalsContact CD-OE2 3.28Å; K662-E929 WeakPolarHBondContact CD-OE2 3.1Å; K662-E929 WeakPolarHBondContact CE-OE2 3.22Å; K662-E929 VanDerWaalsContact NZ-CD 3.27Å; K662-E929 IonicContact NZ-OE1 3.78Å; K662-E929 PolarHBondContact NZ-OE1 2.79Å; K662-E929 IonicContact NZ-OE2 3.94Å; K662-E929 PolarHBondContact NZ-OE2 2.81Å |
| 663 | T | 82.3 | Confident | 83.5 | Confident | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.043 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 173.3 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | A659 Q660 A661 M665 L666 Q667 M933 I992 | A659-T663 PolarHBondContact O-N 3.47Å; A659-T663 PolarHBondContact O-OG1 2.8Å; A659-T663 VanDerWaalsContact O-OG1 3.08Å; Q660-T663 PolarHBondContact O-N 3.13Å; A661-T663 VanDerWaalsContact C-N 3.34Å; A661-T663 PolarHBondContact O-N 3.42Å; T663-M665 VanDerWaalsContact C-N 3.29Å; T663-M665 PolarHBondContact O-N 2.92Å; T663-L666 PolarHBondContact O-N 2.86Å; T663-Q667 HydrophobicContact CG2-CG 4.37Å; T663-Q667 VanDerWaalsContact O-CG 3.3Å; T663-Q667 WeakPolarHBondContact O-CG 3.22Å; T663-Q667 PolarHBondContact O-N 3.48Å; T663-M933 HydrophobicContact CG2-CG 3.94Å; T663-M933 HydrophobicContact CG2-SD 4.3Å; T663-I992 HydrophobicContact CG2-CG2 3.75Å |
| 664 | T | 82.9 | Confident | 83.5 | Confident | 23 Ų | 23 | 23.1 Ų | 23.1 | 14% | 0.141 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59 | -40.4 | 173.4 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | Q621 Q660 A661 K662 L666 Q667 T668 H993 | Q621-T664 HydrophobicContact CG-CG2 3.86Å; Q660-T664 PolarHBondContact O-N 3.06Å; Q660-T664 VanDerWaalsContact O-N 3.08Å; Q660-T664 PolarHBondContact O-OG1 3.32Å; A661-T664 WeakPolarHBondContact O-CB 3.29Å; A661-T664 PolarHBondContact O-N 3.43Å; K662-T664 VanDerWaalsContact C-N 3.35Å; K662-T664 PolarHBondContact O-N 3.13Å; T664-L666 PolarHBondContact O-N 3.27Å; T664-Q667 PolarHBondContact O-N 3.11Å; T664-T668 PolarHBondContact O-N 2.58Å; T664-T668 PolarHBondContact O-OG1 3.06Å; T664-T668 VanDerWaalsContact O-OG1 3.05Å; T664-H993 PolarHBondContact OG1-CE1 3.43Å |
| 665 | M | 84.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.9 | -63.2 | 167.2 | 67 | 0 | 0 | 112.4 | I620 Y624 C651 L657 A661 K662 T663 Q667 T668 D669 I921 L924 | I620-M665 HydrophobicContact CG2-CG 3.46Å; I620-M665 VanDerWaalsContact CG2-CG 3.46Å; I620-M665 HydrophobicContact CG2-SD 4.44Å; Y624-M665 HydrophobicContact CD2-CB 4.17Å; Y624-M665 HydrophobicContact CD2-CE 3.73Å; Y624-M665 HydrophobicContact CD2-CG 4.33Å; Y624-M665 HydrophobicContact CE2-CE 4.19Å; Y624-M665 HydrophobicContact CG-CB 4.47Å; C651-M665 HydrophobicContact CB-CE 3.75Å; L657-M665 HydrophobicContact CD1-CE 4.3Å; L657-M665 HydrophobicContact CD1-SD 3.4Å; L657-M665 WeakPolarHBondContact CD1-SD 3.37Å; A661-M665 WeakPolarHBondContact O-CG 3.17Å; A661-M665 PolarHBondContact O-N 3.27Å; K662-M665 WeakPolarHBondContact O-CB 3.27Å; K662-M665 PolarHBondContact O-N 2.92Å; K662-M665 VanDerWaalsContact O-N 3.17Å; T663-M665 VanDerWaalsContact C-N 3.29Å; T663-M665 PolarHBondContact O-N 2.92Å; M665-Q667 VanDerWaalsContact C-N 3.34Å; M665-T668 PolarHBondContact O-N 3.19Å; M665-D669 WeakPolarHBondContact O-CB 3.33Å; M665-D669 PolarHBondContact O-N 3.35Å; M665-I921 HydrophobicContact CB-CD1 3.85Å; M665-I921 HydrophobicContact CE-CD1 3.88Å; M665-L924 HydrophobicContact CE-CD1 3.87Å |
| 666 | L | 85.5 | Confident | 83.2 | Confident | 16 Ų | 16 | 33.3 Ų | 33.3 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 178 | -175.4 | 69.1 | 0 | 0 | 0 | 111.7 | K662 T663 T664 D669 A670 I799 I921 L922 F925 M933 | K662-L666 PolarHBondContact O-N 2.65Å; T663-L666 PolarHBondContact O-N 2.86Å; T664-L666 PolarHBondContact O-N 3.27Å; L666-D669 PolarHBondContact O-N 3.37Å; L666-A670 WeakPolarHBondContact O-CB 3.4Å; L666-A670 PolarHBondContact O-N 3.17Å; L666-I799 HydrophobicContact CD2-CG2 3.73Å; L666-I921 HydrophobicContact CB-CG1 4.47Å; L666-I921 HydrophobicContact CD1-CB 4.45Å; L666-I921 HydrophobicContact CD1-CG1 4.04Å; L666-I921 HydrophobicContact CD1-CG2 3.53Å; L666-L922 HydrophobicContact CD1-CD2 4.45Å; L666-F925 HydrophobicContact CB-CE2 4.28Å; L666-F925 HydrophobicContact CB-CZ 4.04Å; L666-F925 HydrophobicContact CD2-CZ 4.44Å; L666-M933 HydrophobicContact CD2-CE 3.67Å; L666-M933 HydrophobicContact CD2-SD 3.4Å; L666-M933 WeakPolarHBondContact CD2-SD 3.25Å |
| 667 | Q | 84.6 | Confident | 82.8 | Confident | 48 Ų | 48 | 33.8 Ų | 33.8 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.3 | -71.3 | 176 | -27.3 | 0 | 0 | 111.4 | T663 T664 M665 D669 A670 E671 S802 | T663-Q667 HydrophobicContact CG2-CG 4.37Å; T663-Q667 VanDerWaalsContact O-CG 3.3Å; T663-Q667 WeakPolarHBondContact O-CG 3.22Å; T663-Q667 PolarHBondContact O-N 3.48Å; T664-Q667 PolarHBondContact O-N 3.11Å; M665-Q667 VanDerWaalsContact C-N 3.34Å; Q667-D669 VanDerWaalsContact C-N 3.32Å; Q667-D669 PolarHBondContact O-N 3.16Å; Q667-A670 PolarHBondContact O-N 3.34Å; Q667-E671 WeakPolarHBondContact O-CB 3.37Å; Q667-E671 WeakPolarHBondContact O-CG 3.31Å; Q667-E671 PolarHBondContact O-N 2.91Å; Q667-S802 WeakPolarHBondContact CG-OG 3.45Å; Q667-S802 PolarHBondContact NE2-OG 3.42Å |
| 668 | T | 83.8 | Confident | 82.6 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 175.8 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | Q621 Y624 L625 T664 M665 L672 | Q621-T668 HydrophobicContact CB-CG2 4.36Å; Q621-T668 WeakPolarHBondContact CG-OG1 3.27Å; Y624-T668 HydrophobicContact CD1-CG2 3.98Å; L625-T668 HydrophobicContact CD2-CG2 4.4Å; L625-T668 HydrophobicContact CG-CG2 4.38Å; T664-T668 PolarHBondContact O-N 2.58Å; T664-T668 PolarHBondContact O-OG1 3.06Å; T664-T668 VanDerWaalsContact O-OG1 3.05Å; M665-T668 PolarHBondContact O-N 3.19Å; T668-L672 VanDerWaalsContact O-CB 3.28Å; T668-L672 WeakPolarHBondContact O-CB 3.26Å; T668-L672 PolarHBondContact O-N 3.24Å |
| 669 | D | 84.3 | Confident | 82.3 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -44.7 | 173.8 | -169.5 | 68.7 | 0 | 0 | 0 | 112.1 | Y624 M665 L666 Q667 L672 Q673 | Y624-D669 HydrophobicContact CE1-CB 3.75Å; Y624-D669 WeakPolarHBondContact OH-CB 3.16Å; Y624-D669 PolarHBondContact OH-OD1 2.91Å; M665-D669 WeakPolarHBondContact O-CB 3.33Å; M665-D669 PolarHBondContact O-N 3.35Å; L666-D669 PolarHBondContact O-N 3.37Å; Q667-D669 VanDerWaalsContact C-N 3.32Å; Q667-D669 PolarHBondContact O-N 3.16Å; D669-L672 PolarHBondContact O-N 2.98Å; D669-Q673 WeakPolarHBondContact O-CB 3.48Å; D669-Q673 WeakPolarHBondContact O-CG 3.43Å; D669-Q673 PolarHBondContact O-N 3.1Å; D669-Q673 PolarHBondContact OD2-NE2 3.21Å |
| 670 | A | 83.1 | Confident | 82.1 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L666 Q667 L672 Q673 M674 Y800 | L666-A670 WeakPolarHBondContact O-CB 3.4Å; L666-A670 PolarHBondContact O-N 3.17Å; Q667-A670 PolarHBondContact O-N 3.34Å; A670-L672 PolarHBondContact O-N 2.77Å; A670-Q673 PolarHBondContact O-N 2.85Å; A670-M674 WeakPolarHBondContact O-CB 3.5Å; A670-M674 VanDerWaalsContact O-CG 3.24Å; A670-M674 WeakPolarHBondContact O-CG 3.41Å; A670-M674 PolarHBondContact O-N 2.91Å; A670-Y800 HydrophobicContact CB-CD2 3.58Å; A670-Y800 HydrophobicContact CB-CE2 3.58Å; A670-Y800 HydrophobicContact CB-CG 4.16Å; A670-Y800 PolarHBondContact O-OH 2.84Å |
| 671 | E | 83.3 | Confident | 81.8 | Confident | 103 Ų | 103 | 34.4 Ų | 34.4 | 48% | 0.481 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.5 | -74.4 | 177 | -177.8 | 0 | 0 | 112 | Q667 M674 Q675 | Q667-E671 WeakPolarHBondContact O-CB 3.37Å; Q667-E671 WeakPolarHBondContact O-CG 3.31Å; Q667-E671 PolarHBondContact O-N 2.91Å; E671-M674 PolarHBondContact O-N 3.27Å; E671-Q675 WeakPolarHBondContact O-CG 3.39Å; E671-Q675 PolarHBondContact O-N 2.99Å |
| 672 | L | 82.1 | Confident | 81.7 | Confident | 36 Ų | 36 | 38 Ų | 38 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -47.7 | 177.1 | -178.7 | 66.4 | 0 | 0 | 0 | 111.2 | L625 F628 T668 D669 A670 M674 Q675 M676 | L625-L672 HydrophobicContact CD2-CD1 4.42Å; L625-L672 HydrophobicContact CD2-CD2 4.16Å; F628-L672 HydrophobicContact CD1-CD2 3.9Å; F628-L672 HydrophobicContact CE1-CD2 3.84Å; F628-L672 HydrophobicContact CG-CD2 4.38Å; F628-L672 HydrophobicContact CZ-CD2 4.28Å; T668-L672 VanDerWaalsContact O-CB 3.28Å; T668-L672 WeakPolarHBondContact O-CB 3.26Å; T668-L672 PolarHBondContact O-N 3.24Å; D669-L672 PolarHBondContact O-N 2.98Å; A670-L672 PolarHBondContact O-N 2.77Å; L672-M674 VanDerWaalsContact C-N 3.34Å; L672-M674 PolarHBondContact O-N 2.96Å; L672-Q675 PolarHBondContact O-N 3.09Å; L672-M676 HydrophobicContact CG-SD 4.29Å; L672-M676 VanDerWaalsContact O-CG 3.3Å; L672-M676 WeakPolarHBondContact O-CG 3.24Å; L672-M676 PolarHBondContact O-N 3.42Å |
| 673 | Q | 81.3 | Confident | 81.3 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 16% | 0.164 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 177.5 | -73 | -168.9 | 35.7 | 0 | 0 | 111.7 | D669 A670 M676 A677 Y800 | D669-Q673 WeakPolarHBondContact O-CB 3.48Å; D669-Q673 WeakPolarHBondContact O-CG 3.43Å; D669-Q673 PolarHBondContact O-N 3.1Å; D669-Q673 PolarHBondContact OD2-NE2 3.21Å; A670-Q673 PolarHBondContact O-N 2.85Å; Q673-M676 PolarHBondContact O-N 3.36Å; Q673-A677 WeakPolarHBondContact O-CB 3.28Å; Q673-A677 PolarHBondContact O-N 3.34Å; Q673-Y800 HydrophobicContact CB-CE2 4.4Å; Q673-Y800 WeakPolarHBondContact CB-OH 3.41Å |
| 674 | M | 82.9 | Confident | 80.9 | Confident | 26 Ų | 26 | 46 Ų | 46 | 13% | 0.128 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -48.1 | 173 | -75.5 | -178.3 | -167.3 | 0 | 0 | 111.5 | A670 E671 L672 M676 A677 V678 K728 P730 Y800 | A670-M674 WeakPolarHBondContact O-CB 3.5Å; A670-M674 VanDerWaalsContact O-CG 3.24Å; A670-M674 WeakPolarHBondContact O-CG 3.41Å; A670-M674 PolarHBondContact O-N 2.91Å; E671-M674 PolarHBondContact O-N 3.27Å; L672-M674 VanDerWaalsContact C-N 3.34Å; L672-M674 PolarHBondContact O-N 2.96Å; M674-M676 VanDerWaalsContact C-N 3.34Å; M674-M676 PolarHBondContact O-N 3.34Å; M674-A677 PolarHBondContact O-N 2.79Å; M674-V678 VanDerWaalsContact O-CG2 3.3Å; M674-V678 WeakPolarHBondContact O-CG2 3.16Å; M674-V678 PolarHBondContact O-N 2.99Å; M674-K728 WeakPolarHBondContact CA-O 3.36Å; M674-K728 WeakPolarHBondContact CG-O 3.11Å; M674-P730 HydrophobicContact CB-CG 4.14Å; M674-P730 HydrophobicContact CG-CG 4.33Å; M674-P730 HydrophobicContact SD-CB 4.26Å; M674-P730 HydrophobicContact SD-CG 4.16Å; M674-Y800 HydrophobicContact CE-CD1 3.27Å; M674-Y800 HydrophobicContact CE-CE1 3.25Å; M674-Y800 HydrophobicContact CE-CG 4.2Å; M674-Y800 WeakPolarHBondContact CE-O 3.45Å; M674-Y800 HydrophobicContact CG-CD1 4.47Å; M674-Y800 HydrophobicContact CG-CE1 3.47Å; M674-Y800 VanDerWaalsContact CG-CE1 3.47Å; M674-Y800 PolarHBondContact N-OH 3.01Å; M674-Y800 HydrophobicContact SD-CE1 4.2Å |
| 675 | Q | 81.4 | Confident | 80.6 | Confident | 131 Ų | 131 | 46.6 Ų | 46.6 | 61% | 0.612 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 178.5 | -73.6 | -179.5 | 12.2 | 0 | 0 | 112 | E671 L672 V678 S679 | E671-Q675 WeakPolarHBondContact O-CG 3.39Å; E671-Q675 PolarHBondContact O-N 2.99Å; L672-Q675 PolarHBondContact O-N 3.09Å; Q675-V678 PolarHBondContact O-N 3.43Å; Q675-S679 VanDerWaalsContact O-CB 3.29Å; Q675-S679 WeakPolarHBondContact O-CB 3.3Å; Q675-S679 PolarHBondContact O-N 3.41Å |
| 676 | M | 79.7 | Confident | 80.3 | Confident | 118 Ų | 118 | 50.4 Ų | 50.4 | 58% | 0.581 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 174.7 | -71.4 | 178.9 | 71.3 | 0 | 0 | 111.9 | L672 Q673 M674 S679 G680 | L672-M676 HydrophobicContact CG-SD 4.29Å; L672-M676 VanDerWaalsContact O-CG 3.3Å; L672-M676 WeakPolarHBondContact O-CG 3.24Å; L672-M676 PolarHBondContact O-N 3.42Å; Q673-M676 PolarHBondContact O-N 3.36Å; M674-M676 VanDerWaalsContact C-N 3.34Å; M674-M676 PolarHBondContact O-N 3.34Å; M676-S679 PolarHBondContact O-N 3.1Å; M676-G680 PolarHBondContact O-N 3.47Å |
| 677 | A | 78.9 | Confident | 79.8 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q673 M674 G680 A681 K729 | Q673-A677 WeakPolarHBondContact O-CB 3.28Å; Q673-A677 PolarHBondContact O-N 3.34Å; M674-A677 PolarHBondContact O-N 2.79Å; A677-G680 PolarHBondContact O-N 3.13Å; A677-A681 WeakPolarHBondContact O-CB 3.41Å; A677-A681 PolarHBondContact O-N 3.12Å; A677-K729 HydrophobicContact CB-CG 4.05Å |
| 678 | V | 81 | Confident | 79.1 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | M674 Q675 G680 A681 N682 P700 P730 | M674-V678 VanDerWaalsContact O-CG2 3.3Å; M674-V678 WeakPolarHBondContact O-CG2 3.16Å; M674-V678 PolarHBondContact O-N 2.99Å; Q675-V678 PolarHBondContact O-N 3.43Å; V678-G680 VanDerWaalsContact C-N 3.33Å; V678-G680 PolarHBondContact O-N 3.2Å; V678-A681 PolarHBondContact O-N 3.38Å; V678-N682 WeakPolarHBondContact O-CB 3.4Å; V678-N682 VanDerWaalsContact O-CG 3.25Å; V678-N682 PolarHBondContact O-N 3.09Å; V678-N682 PolarHBondContact O-ND2 3.43Å; V678-P700 HydrophobicContact CG1-CB 4.22Å; V678-P730 HydrophobicContact CG2-CG 4Å |
| 679 | S | 76.8 | Confident | 78.6 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 177 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | Q675 M676 N682 L683 | Q675-S679 VanDerWaalsContact O-CB 3.29Å; Q675-S679 WeakPolarHBondContact O-CB 3.3Å; Q675-S679 PolarHBondContact O-N 3.41Å; M676-S679 PolarHBondContact O-N 3.1Å; S679-N682 PolarHBondContact O-N 3.19Å; S679-L683 WeakPolarHBondContact O-CB 3.12Å; S679-L683 WeakPolarHBondContact O-CG 3.4Å; S679-L683 PolarHBondContact O-N 2.63Å |
| 680 | G | 77.1 | Confident | 78.1 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M676 A677 V678 L683 H684 | M676-G680 PolarHBondContact O-N 3.47Å; A677-G680 PolarHBondContact O-N 3.13Å; V678-G680 VanDerWaalsContact C-N 3.33Å; V678-G680 PolarHBondContact O-N 3.2Å; G680-L683 PolarHBondContact O-N 3.11Å; G680-H684 WeakPolarHBondContact O-CB 3.24Å; G680-H684 PolarHBondContact O-N 3.15Å |
| 681 | A | 74.5 | Confident | 77.8 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A677 V678 H684 N685 R698 | A677-A681 WeakPolarHBondContact O-CB 3.41Å; A677-A681 PolarHBondContact O-N 3.12Å; V678-A681 PolarHBondContact O-N 3.38Å; A681-H684 PolarHBondContact O-N 3.13Å; A681-N685 WeakPolarHBondContact O-CB 3.45Å; A681-N685 PolarHBondContact O-N 3.16Å; A681-N685 PolarHBondContact O-ND2 3Å; A681-N685 PolarHBondContact O-OD1 3.48Å; A681-R698 HydrophobicContact CB-CB 4.44Å |
| 682 | N | 79.8 | Confident | 76.6 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 176.6 | -72.4 | -22.3 | 0 | 0 | 0 | 111.9 | V678 S679 H684 N685 V686 | V678-N682 WeakPolarHBondContact O-CB 3.4Å; V678-N682 VanDerWaalsContact O-CG 3.25Å; V678-N682 PolarHBondContact O-N 3.09Å; V678-N682 PolarHBondContact O-ND2 3.43Å; S679-N682 PolarHBondContact O-N 3.19Å; N682-H684 VanDerWaalsContact C-N 3.34Å; N682-H684 PolarHBondContact O-N 3.13Å; N682-N685 PolarHBondContact O-N 3.07Å; N682-V686 VanDerWaalsContact O-CG2 3.3Å; N682-V686 WeakPolarHBondContact O-CG2 3.25Å; N682-V686 PolarHBondContact O-N 2.82Å |
| 683 | L | 78.1 | Confident | 75.5 | Confident | 119 Ų | 119 | 73.9 Ų | 73.9 | 62% | 0.623 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 173.9 | -81.8 | 166.2 | 0 | 0 | 0 | 111.6 | S679 G680 V686 F687 | S679-L683 WeakPolarHBondContact O-CB 3.12Å; S679-L683 WeakPolarHBondContact O-CG 3.4Å; S679-L683 PolarHBondContact O-N 2.63Å; G680-L683 PolarHBondContact O-N 3.11Å; L683-V686 PolarHBondContact O-N 2.76Å; L683-F687 WeakPolarHBondContact O-CB 3.42Å; L683-F687 PolarHBondContact O-N 3.18Å |
| 684 | H | 73.6 | Confident | 74.5 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 174 | -175.8 | 71.6 | 0 | 0 | 0 | 111.4 | G680 A681 N682 V686 F687 M688 | G680-H684 WeakPolarHBondContact O-CB 3.24Å; G680-H684 PolarHBondContact O-N 3.15Å; A681-H684 PolarHBondContact O-N 3.13Å; N682-H684 VanDerWaalsContact C-N 3.34Å; N682-H684 PolarHBondContact O-N 3.13Å; H684-V686 PolarHBondContact O-N 2.9Å; H684-F687 CarbonylContact O-C 3.57Å; H684-F687 WeakPolarHBondContact O-CA 3.36Å; H684-F687 WeakPolarHBondContact O-CB 3.49Å; H684-F687 PolarHBondContact O-N 3.33Å; H684-F687 VanDerWaalsContact O-N 3.14Å; H684-M688 WeakPolarHBondContact NE2-CG 3.21Å; H684-M688 VanDerWaalsContact O-CG 3.3Å; H684-M688 WeakPolarHBondContact O-CG 3.3Å; H684-M688 PolarHBondContact O-N 3Å |
| 685 | N | 77.4 | Confident | 73.3 | Confident | 36 Ų | 36 | 83.6 Ų | 83.6 | 19% | 0.193 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 177.6 | -68.9 | -13.8 | 0 | 0 | 0 | 112.5 | A681 N682 F687 M688 L689 A697 R698 | A681-N685 WeakPolarHBondContact O-CB 3.45Å; A681-N685 PolarHBondContact O-N 3.16Å; A681-N685 PolarHBondContact O-ND2 3Å; A681-N685 PolarHBondContact O-OD1 3.48Å; N682-N685 PolarHBondContact O-N 3.07Å; N685-F687 VanDerWaalsContact C-N 3.32Å; N685-M688 PolarHBondContact O-N 3.14Å; N685-L689 VanDerWaalsContact O-CB 3.26Å; N685-L689 WeakPolarHBondContact O-CB 3.5Å; N685-L689 PolarHBondContact O-N 2.93Å; N685-A697 WeakPolarHBondContact OD1-CA 3.43Å; N685-R698 PolarHBondContact ND2-O 3.09Å; N685-R698 PolarHBondContact OD1-N 3.01Å; N685-R698 PolarHBondContact OD1-O 3.08Å |
| 686 | V | 77 | Confident | 72.5 | Confident | 82 Ų | 82 | 82.2 Ų | 82.2 | 50% | 0.497 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 172.8 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | N682 L683 H684 L689 L690 | N682-V686 VanDerWaalsContact O-CG2 3.3Å; N682-V686 WeakPolarHBondContact O-CG2 3.25Å; N682-V686 PolarHBondContact O-N 2.82Å; L683-V686 PolarHBondContact O-N 2.76Å; H684-V686 PolarHBondContact O-N 2.9Å; V686-L689 PolarHBondContact O-N 2.83Å; V686-L690 HydrophobicContact CG1-CD1 4Å; V686-L690 WeakPolarHBondContact O-CB 3.4Å; V686-L690 VanDerWaalsContact O-CG 3.22Å; V686-L690 WeakPolarHBondContact O-CG 3.41Å; V686-L690 PolarHBondContact O-N 3.18Å |
| 687 | F | 74.1 | Confident | 71.5 | Confident | 124 Ų | 124 | 79.4 Ų | 79.4 | 54% | 0.544 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 175.1 | -178.6 | -95.7 | 0 | 0 | 0 | 112.2 | L683 H684 N685 L689 L690 T691 | L683-F687 WeakPolarHBondContact O-CB 3.42Å; L683-F687 PolarHBondContact O-N 3.18Å; H684-F687 CarbonylContact O-C 3.57Å; H684-F687 WeakPolarHBondContact O-CA 3.36Å; H684-F687 WeakPolarHBondContact O-CB 3.49Å; H684-F687 PolarHBondContact O-N 3.33Å; H684-F687 VanDerWaalsContact O-N 3.14Å; N685-F687 VanDerWaalsContact C-N 3.32Å; F687-L689 VanDerWaalsContact C-N 3.31Å; F687-L689 PolarHBondContact O-N 3.49Å; F687-L690 CarbonylContact O-C 3.11Å; F687-L690 WeakPolarHBondContact O-CA 3.48Å; F687-L690 WeakPolarHBondContact O-CB 3.48Å; F687-L690 PolarHBondContact O-N 2.67Å; F687-T691 HydrophobicContact CD1-CG2 4.14Å; F687-T691 HydrophobicContact CE1-CG2 3.69Å; F687-T691 HydrophobicContact CE2-CG2 4.17Å; F687-T691 HydrophobicContact CZ-CG2 3.71Å; F687-T691 WeakPolarHBondContact O-CG2 3.27Å; F687-T691 PolarHBondContact O-N 2.98Å; F687-T691 PolarHBondContact O-OG1 3.2Å |
| 688 | M | 70.8 | Confident | 71.2 | Confident | 13 Ų | 13 | 84.1 Ų | 84.1 | 6% | 0.064 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.7 | -32 | 179.1 | -63.7 | -45.6 | -79.4 | 0 | 0 | 112.8 | H684 N685 T691 L692 E693 L696 | H684-M688 WeakPolarHBondContact NE2-CG 3.21Å; H684-M688 VanDerWaalsContact O-CG 3.3Å; H684-M688 WeakPolarHBondContact O-CG 3.3Å; H684-M688 PolarHBondContact O-N 3Å; N685-M688 PolarHBondContact O-N 3.14Å; M688-T691 WeakPolarHBondContact CA-OG1 3.35Å; M688-T691 PolarHBondContact O-N 3.17Å; M688-T691 PolarHBondContact O-OG1 3.3Å; M688-L692 PolarHBondContact O-N 3.12Å; M688-E693 HydrophobicContact CE-CB 3.79Å; M688-E693 WeakPolarHBondContact CE-OE2 3.41Å; M688-E693 PolarHBondContact O-N 2.91Å; M688-L696 HydrophobicContact CE-CB 3.4Å; M688-L696 VanDerWaalsContact CE-CB 3.4Å; M688-L696 HydrophobicContact CE-CD1 3.38Å; M688-L696 HydrophobicContact CE-CG 4.02Å; M688-L696 HydrophobicContact CG-CB 4.49Å |
| 689 | L | 73.8 | Confident | 70.7 | Confident | 126 Ų | 126 | 86.4 Ų | 86.4 | 66% | 0.66 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.6 | -39.7 | 170.5 | -174.2 | 69.7 | 0 | 0 | 0 | 111.2 | N685 V686 F687 | N685-L689 VanDerWaalsContact O-CB 3.26Å; N685-L689 WeakPolarHBondContact O-CB 3.5Å; N685-L689 PolarHBondContact O-N 2.93Å; V686-L689 PolarHBondContact O-N 2.83Å; F687-L689 VanDerWaalsContact C-N 3.31Å; F687-L689 PolarHBondContact O-N 3.49Å |
| 690 | L | 73.7 | Confident | 70.7 | Confident | 136 Ų | 136 | 84.9 Ų | 84.9 | 71% | 0.712 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -71.7 | -30 | 176 | -70.3 | 166.6 | 0 | 0 | 0 | 112.8 | V686 F687 L692 | V686-L690 HydrophobicContact CG1-CD1 4Å; V686-L690 WeakPolarHBondContact O-CB 3.4Å; V686-L690 VanDerWaalsContact O-CG 3.22Å; V686-L690 WeakPolarHBondContact O-CG 3.41Å; V686-L690 PolarHBondContact O-N 3.18Å; F687-L690 CarbonylContact O-C 3.11Å; F687-L690 WeakPolarHBondContact O-CA 3.48Å; F687-L690 WeakPolarHBondContact O-CB 3.48Å; F687-L690 PolarHBondContact O-N 2.67Å; L690-L692 VanDerWaalsContact C-N 3.35Å |
| 691 | T | 76.3 | Confident | 70.8 | Confident | 59 Ų | 59 | 88.8 Ų | 88.8 | 36% | 0.362 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5.7 | 176.8 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | F687 M688 E693 | F687-T691 HydrophobicContact CD1-CG2 4.14Å; F687-T691 HydrophobicContact CE1-CG2 3.69Å; F687-T691 HydrophobicContact CE2-CG2 4.17Å; F687-T691 HydrophobicContact CZ-CG2 3.71Å; F687-T691 WeakPolarHBondContact O-CG2 3.27Å; F687-T691 PolarHBondContact O-N 2.98Å; F687-T691 PolarHBondContact O-OG1 3.2Å; M688-T691 WeakPolarHBondContact CA-OG1 3.35Å; M688-T691 PolarHBondContact O-N 3.17Å; M688-T691 PolarHBondContact O-OG1 3.3Å; T691-E693 VanDerWaalsContact C-N 3.27Å; T691-E693 PolarHBondContact O-N 3.43Å |
| 692 | L | 59.1 | Low | 71.2 | Confident | 155 Ų | 155 | 88.6 Ų | 88.6 | 81% | 0.812 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 27.8 | 179.1 | -63.4 | 165.3 | 0 | 0 | 0 | 114.6 | M688 L690 P694 | M688-L692 PolarHBondContact O-N 3.12Å; L690-L692 VanDerWaalsContact C-N 3.35Å; L692-P694 VanDerWaalsContact O-CD 3.22Å; L692-P694 WeakPolarHBondContact O-CD 3.45Å |
| 693 | E | 58.6 | Low | 71.4 | Confident | 106 Ų | 106 | 85.7 Ų | 85.7 | 50% | 0.495 | 44% | 0.44 | S | S | . | . | trans | -117.6 | 65 | 175.5 | -69.1 | -175.3 | 155.4 | 0 | 0 | 111.2 | M688 T691 H695 L696 | M688-E693 HydrophobicContact CE-CB 3.79Å; M688-E693 WeakPolarHBondContact CE-OE2 3.41Å; M688-E693 PolarHBondContact O-N 2.91Å; T691-E693 VanDerWaalsContact C-N 3.27Å; T691-E693 PolarHBondContact O-N 3.43Å; E693-H695 PolarHBondContact O-N 2.97Å; E693-H695 VanDerWaalsContact O-N 3.12Å; E693-L696 HydrophobicContact CB-CD1 4.31Å; E693-L696 PolarHBondContact O-N 2.94Å | ||
| 694 | P | 60 | Low | 71.7 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -66.8 | -17.2 | -172.3 | 27.7 | -35.6 | 0 | 0 | 0 | 114 | L692 L696 A697 | L692-P694 VanDerWaalsContact O-CD 3.22Å; L692-P694 WeakPolarHBondContact O-CD 3.45Å; P694-L696 PolarHBondContact O-N 2.88Å; P694-A697 WeakPolarHBondContact O-CB 3.39Å; P694-A697 PolarHBondContact O-N 2.95Å |
| 695 | H | 58.2 | Low | 72.1 | Confident | 188 Ų | 188 | 81 Ų | 81 | 87% | 0.87 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -72.5 | -14.1 | 179.7 | -60.7 | -58.6 | 0 | 0 | 0 | 113.9 | E693 | E693-H695 PolarHBondContact O-N 2.97Å; E693-H695 VanDerWaalsContact O-N 3.12Å |
| 696 | L | 63.1 | Low | 72.5 | Confident | 102 Ų | 102 | 79.3 Ų | 79.3 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -97.5 | 10 | 177.9 | -71 | 166.4 | 0 | 0 | 0 | 112.7 | M688 E693 P694 R698 | M688-L696 HydrophobicContact CE-CB 3.4Å; M688-L696 VanDerWaalsContact CE-CB 3.4Å; M688-L696 HydrophobicContact CE-CD1 3.38Å; M688-L696 HydrophobicContact CE-CG 4.02Å; M688-L696 HydrophobicContact CG-CB 4.49Å; E693-L696 HydrophobicContact CB-CD1 4.31Å; E693-L696 PolarHBondContact O-N 2.94Å; P694-L696 PolarHBondContact O-N 2.88Å; L696-R698 PolarHBondContact O-N 3.39Å |
| 697 | A | 60.5 | Low | 72.8 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 48% | 0.479 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 132.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | N685 P694 | N685-A697 WeakPolarHBondContact OD1-CA 3.43Å; P694-A697 WeakPolarHBondContact O-CB 3.39Å; P694-A697 PolarHBondContact O-N 2.95Å |
| 698 | R | 71.1 | Confident | 73.1 | Confident | 111 Ų | 111 | 79.5 Ų | 79.5 | 42% | 0.419 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 135.4 | 177.7 | -69.1 | -178 | 179.9 | -156.4 | -3.8 | 110.3 | A681 N685 L696 | A681-R698 HydrophobicContact CB-CB 4.44Å; N685-R698 PolarHBondContact ND2-O 3.09Å; N685-R698 PolarHBondContact OD1-N 3.01Å; N685-R698 PolarHBondContact OD1-O 3.08Å; L696-R698 PolarHBondContact O-N 3.39Å |
| 699 | N | 71.9 | Confident | 73.5 | Confident | 82 Ų | 82 | 85.8 Ų | 85.8 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 133.9 | 172.8 | -163.7 | -22.5 | 0 | 0 | 0 | 110.1 | Y701 K729 | N699-Y701 PolarHBondContact O-N 2.8Å; N699-Y701 PolarHBondContact OD1-N 2.81Å; N699-Y701 VanDerWaalsContact OD1-N 3.16Å; N699-K729 WeakPolarHBondContact O-CE 3.07Å; N699-K729 PolarHBondContact O-NZ 3.11Å |
| 700 | P | 76.7 | Confident | 73.9 | Confident | 32 Ų | 32 | 84.3 Ų | 84.3 | 21% | 0.208 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -68.5 | -17.6 | 174.1 | 24.7 | -34.4 | 0 | 0 | 0 | 113.9 | V678 | V678-P700 HydrophobicContact CG1-CB 4.22Š|
| 701 | Y | 79.2 | Confident | 74.2 | Confident | 121 Ų | 121 | 78 Ų | 78 | 48% | 0.475 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -107.5 | 153.4 | 176.9 | -61.4 | -84.4 | 0 | 0 | 0 | 111.7 | N699 P730 | N699-Y701 PolarHBondContact O-N 2.8Å; N699-Y701 PolarHBondContact OD1-N 2.81Å; N699-Y701 VanDerWaalsContact OD1-N 3.16Å; Y701-P730 HydrophobicContact CD1-CB 3.98Å; Y701-P730 HydrophobicContact CD1-CG 4.43Å; Y701-P730 HydrophobicContact CE1-CB 4.25Å |
| 702 | L | 82.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 106 | 164 | 177.9 | 67.2 | 0 | 0 | 0 | 107.6 | Y722 L727 K729 P730 L731 K732 L797 | L702-Y722 HydrophobicContact CD1-CD1 3.87Å; L702-Y722 HydrophobicContact CD1-CD2 3.52Å; L702-Y722 HydrophobicContact CD1-CE1 4.02Å; L702-Y722 HydrophobicContact CD1-CE2 3.67Å; L702-Y722 HydrophobicContact CD1-CG 3.62Å; L702-L727 HydrophobicContact CD2-CD2 4.37Å; L702-K729 HydrophobicContact CB-CB 4.2Å; L702-P730 PolarHBondContact N-O 3.4Å; L702-L731 HydrophobicContact CD2-CD1 3.89Å; L702-L731 HydrophobicContact CG-CD1 4.06Å; L702-L731 CarbonylContact O-C 3.38Å; L702-K732 PolarHBondContact O-N 3.28Å; L702-L797 HydrophobicContact CD2-CD2 4.15Å |
| 703 | V | 83.4 | Confident | 75.4 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 9% | 0.085 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.7 | -175.2 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | Y722 K732 I734 | V703-Y722 PolarHBondContact O-OH 2.85Å; V703-K732 WeakPolarHBondContact CA-O 3.43Å; V703-K732 HydrophobicContact CG2-CB 4.47Å; V703-I734 HydrophobicContact CG1-CD1 3.63Å; V703-I734 HydrophobicContact CG1-CG1 4.21Å |
| 704 | L | 83.9 | Confident | 76.7 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.8 | 175.7 | -60.9 | -178.1 | 0 | 0 | 0 | 110 | E718 L719 Y722 L731 K732 I734 F750 | L704-E718 HydrophobicContact CD2-CB 3.79Å; L704-L719 HydrophobicContact CD2-CD2 4.25Å; L704-Y722 HydrophobicContact CD2-CE2 4.09Å; L704-L731 HydrophobicContact CD1-CD1 3.65Å; L704-L731 HydrophobicContact CG-CD1 3.8Å; L704-K732 PolarHBondContact N-O 3.3Å; L704-I734 PolarHBondContact O-N 3.45Å; L704-F750 HydrophobicContact CD1-CE1 4.19Å; L704-F750 HydrophobicContact CD1-CZ 4.07Å |
| 705 | H | 83.3 | Confident | 77.8 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 37% | 0.366 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 115.3 | 173.3 | -74.7 | -85.1 | 0 | 0 | 0 | 109.9 | D736 | H705-D736 IonicContact ND1-OD1 3.76Å |
| 706 | V | 85 | Confident | 78.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 144.9 | -173.1 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | L711 D714 V733 I734 F735 D736 F750 | V706-L711 HydrophobicContact CG2-CD1 4.47Å; V706-D714 HydrophobicContact CG1-CB 4.26Å; V706-V733 HydrophobicContact CG2-CG1 3.8Å; V706-I734 PolarHBondContact N-O 2.92Å; V706-F735 HydrophobicContact CG2-CD1 3.84Å; V706-F735 HydrophobicContact CG2-CE1 3.75Å; V706-F735 HydrophobicContact CG2-CZ 4.36Å; V706-F735 VanDerWaalsContact O-CA 3.31Å; V706-F735 WeakPolarHBondContact O-CA 3.23Å; V706-D736 PolarHBondContact O-N 2.81Å; V706-D736 VanDerWaalsContact O-N 3.07Å; V706-F750 HydrophobicContact CG1-CE2 4.1Å; V706-F750 HydrophobicContact CG2-CD2 4.17Å; V706-F750 HydrophobicContact CG2-CE2 4.25Å |
| 707 | R | 83.9 | Confident | 79.6 | Confident | 107 Ų | 107 | 55 Ų | 55 | 40% | 0.404 | 26% | 0.263 | S | S | . | . | trans | -103.8 | 136.9 | 172.6 | -65.1 | 170.5 | -63.7 | 172.5 | 0 | 109.7 | N709 H710 L711 D714 D736 | R707-N709 PolarHBondContact O-N 3.26Å; R707-N709 VanDerWaalsContact O-N 3.16Å; R707-H710 CarbonylContact O-C 3.57Å; R707-H710 PolarHBondContact O-N 3.24Å; R707-L711 PolarHBondContact O-N 3.35Å; R707-D714 IonicContact CZ-OD1 2.64Å; R707-D714 IonicContact CZ-OD2 3.93Å; R707-D714 PolarHBondContact N-OD2 3.22Å; R707-D714 IonicContact NE-OD1 3.85Å; R707-D714 IonicContact NE-OD2 3.72Å; R707-D714 PolarHBondContact NE-OD2 3.46Å; R707-D714 IonicContact NH2-OD1 3.77Å; R707-D714 PolarHBondContact NH2-OD1 2.83Å; R707-D714 IonicContact NH2-OD2 2.87Å; R707-D714 PolarHBondContact NH2-OD2 2.86Å; R707-D736 HydrophobicContact CG-CB 3.97Å | ||
| 708 | R | 79.9 | Confident | 80.6 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -52.9 | -40 | -179.6 | -70.5 | -171.6 | -179.8 | -97.1 | -5.4 | 113.4 | H710 F735 E738 E749 | R708-H710 VanDerWaalsContact C-N 3.29Å; R708-H710 PolarHBondContact O-N 2.85Å; R708-F735 HydrophobicContact CG-CD1 3.8Å; R708-F735 HydrophobicContact CG-CE1 3.93Å; R708-E738 IonicContact CZ-OE1 3.43Å; R708-E738 IonicContact CZ-OE2 3.17Å; R708-E738 IonicContact NE-OE1 3.77Å; R708-E738 PolarHBondContact NE-OE1 3.03Å; R708-E738 IonicContact NE-OE2 2.98Å; R708-E738 IonicContact NH2-OE1 3.37Å; R708-E738 PolarHBondContact NH2-OE1 2.93Å; R708-E738 IonicContact NH2-OE2 3.11Å; R708-E738 PolarHBondContact NH2-OE2 2.71Å; R708-E738 VanDerWaalsContact NH2-OE2 3.08Å; R708-E749 IonicContact CZ-OE1 3.33Å; R708-E749 IonicContact NH1-OE1 3.93Å; R708-E749 PolarHBondContact NH1-OE1 3.44Å; R708-E749 IonicContact NH2-OE1 2.73Å; R708-E749 PolarHBondContact NH2-OE1 3.41Å |
| 709 | N | 79.1 | Confident | 81.1 | Confident | 146 Ų | 146 | 48.8 Ų | 48.8 | 78% | 0.781 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -78.2 | -9.6 | -176.5 | -59.7 | -10.8 | 0 | 0 | 0 | 114.1 | R707 | R707-N709 PolarHBondContact O-N 3.26Å; R707-N709 VanDerWaalsContact O-N 3.16Å |
| 710 | H | 82.7 | Confident | 81.4 | Confident | 95 Ų | 95 | 49.5 Ų | 49.5 | 44% | 0.44 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -139.3 | 33.1 | -173.3 | -66.6 | 97.3 | 0 | 0 | 0 | 111.8 | R707 R708 V712 S713 D714 | R707-H710 CarbonylContact O-C 3.57Å; R707-H710 PolarHBondContact O-N 3.24Å; R708-H710 VanDerWaalsContact C-N 3.29Å; R708-H710 PolarHBondContact O-N 2.85Å; H710-V712 PolarHBondContact O-N 3.48Å; H710-S713 PolarHBondContact O-N 2.62Å; H710-S713 PolarHBondContact O-OG 2.93Å; H710-S713 VanDerWaalsContact O-OG 3.04Å; H710-D714 PolarHBondContact O-N 3.48Å |
| 711 | L | 80.6 | Confident | 81.5 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.1 | -50 | -167.7 | -159.6 | 90.5 | 0 | 0 | 0 | 112.6 | V706 R707 T715 F735 F750 L753 L754 | V706-L711 HydrophobicContact CG2-CD1 4.47Å; R707-L711 PolarHBondContact O-N 3.35Å; L711-T715 VanDerWaalsContact O-CB 3.26Å; L711-T715 WeakPolarHBondContact O-CB 3.2Å; L711-T715 PolarHBondContact O-N 3.34Å; L711-T715 VanDerWaalsContact O-N 3.08Å; L711-T715 PolarHBondContact O-OG1 3.45Å; L711-F735 HydrophobicContact CD1-CE1 3.58Å; L711-F735 HydrophobicContact CD1-CZ 4.08Å; L711-F750 HydrophobicContact CD1-CD2 4.18Å; L711-F750 HydrophobicContact CD1-CE2 4.47Å; L711-F750 HydrophobicContact CG-CD2 4.46Å; L711-F750 HydrophobicContact CG-CE2 4.39Å; L711-L753 HydrophobicContact CD2-CB 3.9Å; L711-L754 VanDerWaalsContact CD2-CA 3.44Å; L711-L754 HydrophobicContact CD2-CB 3.57Å; L711-L754 HydrophobicContact CD2-CD1 3.84Å; L711-L754 HydrophobicContact CD2-CG 4.3Å; L711-L754 HydrophobicContact CG-CD1 4.27Å |
| 712 | V | 80.3 | Confident | 81.5 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -54.8 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | H710 D714 T715 L716 L754 E757 L758 W787 | H710-V712 PolarHBondContact O-N 3.48Å; V712-D714 PolarHBondContact O-N 3.04Å; V712-T715 PolarHBondContact O-N 3.45Å; V712-L716 HydrophobicContact CG1-CD1 3.73Å; V712-L716 HydrophobicContact CG1-CG 4.44Å; V712-L716 WeakPolarHBondContact O-CD1 3.49Å; V712-L716 WeakPolarHBondContact O-CG 3.49Å; V712-L716 PolarHBondContact O-N 2.93Å; V712-L754 HydrophobicContact CG2-CD1 3.96Å; V712-E757 HydrophobicContact CG2-CB 4.21Å; V712-E757 VanDerWaalsContact CG2-CD 3.49Å; V712-E757 HydrophobicContact CG2-CG 3.9Å; V712-L758 HydrophobicContact CG1-CD2 3.77Å; V712-L758 HydrophobicContact CG2-CD2 4.02Å; V712-L758 HydrophobicContact CG2-CG 4.2Å; V712-W787 HydrophobicContact CG1-CH2 3.77Å; V712-W787 HydrophobicContact CG1-CZ3 3.45Å; V712-W787 VanDerWaalsContact CG1-CZ3 3.45Å |
| 713 | S | 80.3 | Confident | 81.1 | Confident | 60 Ų | 60 | 53.8 Ų | 53.8 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | -174.7 | 66.9 | 0 | 0 | 0 | 0 | 114 | H710 R717 | H710-S713 PolarHBondContact O-N 2.62Å; H710-S713 PolarHBondContact O-OG 2.93Å; H710-S713 VanDerWaalsContact O-OG 3.04Å; S713-R717 PolarHBondContact O-N 3.3Å |
| 714 | D | 84.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.1 | -41.3 | 179.4 | -73.8 | -28.2 | 0 | 0 | 0 | 110.1 | V706 R707 H710 V712 L716 R717 E718 | V706-D714 HydrophobicContact CG1-CB 4.26Å; R707-D714 IonicContact CZ-OD1 2.64Å; R707-D714 IonicContact CZ-OD2 3.93Å; R707-D714 PolarHBondContact N-OD2 3.22Å; R707-D714 IonicContact NE-OD1 3.85Å; R707-D714 IonicContact NE-OD2 3.72Å; R707-D714 PolarHBondContact NE-OD2 3.46Å; R707-D714 IonicContact NH2-OD1 3.77Å; R707-D714 PolarHBondContact NH2-OD1 2.83Å; R707-D714 IonicContact NH2-OD2 2.87Å; R707-D714 PolarHBondContact NH2-OD2 2.86Å; H710-D714 PolarHBondContact O-N 3.48Å; V712-D714 PolarHBondContact O-N 3.04Å; D714-L716 PolarHBondContact O-N 3.23Å; D714-R717 PolarHBondContact O-N 2.82Å; D714-R717 IonicContact OD1-CZ 2.71Å; D714-R717 VanDerWaalsContact OD1-CZ 3.28Å; D714-R717 IonicContact OD1-NH1 3.37Å; D714-R717 PolarHBondContact OD1-NH1 3.16Å; D714-R717 IonicContact OD1-NH2 2.77Å; D714-R717 PolarHBondContact OD1-NH2 2.96Å; D714-E718 WeakPolarHBondContact O-CG 3.48Å; D714-E718 PolarHBondContact O-N 3.41Å |
| 715 | T | 83.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | L711 V712 R717 E718 L719 F750 L754 | L711-T715 VanDerWaalsContact O-CB 3.26Å; L711-T715 WeakPolarHBondContact O-CB 3.2Å; L711-T715 PolarHBondContact O-N 3.34Å; L711-T715 VanDerWaalsContact O-N 3.08Å; L711-T715 PolarHBondContact O-OG1 3.45Å; V712-T715 PolarHBondContact O-N 3.45Å; T715-R717 VanDerWaalsContact C-N 3.34Å; T715-R717 PolarHBondContact O-N 3.09Å; T715-E718 PolarHBondContact O-N 3.37Å; T715-L719 HydrophobicContact CG2-CD1 3.7Å; T715-L719 HydrophobicContact CG2-CG 4.17Å; T715-L719 WeakPolarHBondContact O-CB 3.33Å; T715-L719 WeakPolarHBondContact O-CG 3.35Å; T715-L719 PolarHBondContact O-N 3.17Å; T715-F750 HydrophobicContact CG2-CE2 4.44Å; T715-F750 HydrophobicContact CG2-CZ 3.79Å; T715-F750 WeakPolarHBondContact OG1-CE2 3.15Å; T715-L754 HydrophobicContact CG2-CD2 3.87Å |
| 716 | L | 78.6 | Confident | 80 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.9 | -63.6 | 165.2 | 0 | 0 | 0 | 111.1 | V712 D714 T720 W787 L790 | V712-L716 HydrophobicContact CG1-CD1 3.73Å; V712-L716 HydrophobicContact CG1-CG 4.44Å; V712-L716 WeakPolarHBondContact O-CD1 3.49Å; V712-L716 WeakPolarHBondContact O-CG 3.49Å; V712-L716 PolarHBondContact O-N 2.93Å; D714-L716 PolarHBondContact O-N 3.23Å; L716-T720 VanDerWaalsContact O-CG2 3.28Å; L716-T720 WeakPolarHBondContact O-CG2 3.46Å; L716-T720 PolarHBondContact O-N 3.05Å; L716-T720 PolarHBondContact O-OG1 3.36Å; L716-W787 HydrophobicContact CD1-CD2 4.15Å; L716-W787 HydrophobicContact CD1-CE3 3.8Å; L716-W787 HydrophobicContact CD1-CH2 3.21Å; L716-W787 HydrophobicContact CD1-CZ2 3.58Å; L716-W787 HydrophobicContact CD1-CZ3 3.35Å; L716-W787 HydrophobicContact CD2-CE3 4.46Å; L716-L790 HydrophobicContact CB-CD1 4.28Å; L716-L790 HydrophobicContact CD2-CB 3.47Å; L716-L790 VanDerWaalsContact CD2-CB 3.47Å; L716-L790 HydrophobicContact CD2-CD1 3.24Å; L716-L790 HydrophobicContact CD2-CD2 4.25Å; L716-L790 HydrophobicContact CD2-CG 3.78Å; L716-L790 HydrophobicContact CG-CD1 4.29Å |
| 717 | R | 81 | Confident | 79.8 | Confident | 106 Ų | 106 | 58.7 Ų | 58.7 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 176.8 | -176.5 | 179.3 | 65.9 | -118.6 | -4.4 | 111 | S713 D714 T715 T720 M721 | S713-R717 PolarHBondContact O-N 3.3Å; D714-R717 PolarHBondContact O-N 2.82Å; D714-R717 IonicContact OD1-CZ 2.71Å; D714-R717 VanDerWaalsContact OD1-CZ 3.28Å; D714-R717 IonicContact OD1-NH1 3.37Å; D714-R717 PolarHBondContact OD1-NH1 3.16Å; D714-R717 IonicContact OD1-NH2 2.77Å; D714-R717 PolarHBondContact OD1-NH2 2.96Å; T715-R717 VanDerWaalsContact C-N 3.34Å; T715-R717 PolarHBondContact O-N 3.09Å; R717-T720 PolarHBondContact O-N 2.88Å; R717-T720 PolarHBondContact O-OG1 2.77Å; R717-M721 HydrophobicContact CG-CE 3.85Å; R717-M721 WeakPolarHBondContact O-CG 3.34Å |
| 718 | E | 81.3 | Confident | 79.7 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 15% | 0.15 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -46.5 | -178.8 | -66.7 | -61.7 | 132.9 | 0 | 0 | 112 | L704 D714 T715 T720 M721 Y722 | L704-E718 HydrophobicContact CD2-CB 3.79Å; D714-E718 WeakPolarHBondContact O-CG 3.48Å; D714-E718 PolarHBondContact O-N 3.41Å; T715-E718 PolarHBondContact O-N 3.37Å; E718-T720 VanDerWaalsContact C-N 3.29Å; E718-T720 PolarHBondContact O-N 3.43Å; E718-M721 PolarHBondContact O-N 2.86Å; E718-Y722 WeakPolarHBondContact O-CD2 3.49Å |
| 719 | L | 81.6 | Confident | 79.9 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -29.6 | -178.1 | -72.2 | 177.1 | 0 | 0 | 0 | 113.4 | L704 T715 M721 L727 L790 I793 V794 L797 | L704-L719 HydrophobicContact CD2-CD2 4.25Å; T715-L719 HydrophobicContact CG2-CD1 3.7Å; T715-L719 HydrophobicContact CG2-CG 4.17Å; T715-L719 WeakPolarHBondContact O-CB 3.33Å; T715-L719 WeakPolarHBondContact O-CG 3.35Å; T715-L719 PolarHBondContact O-N 3.17Å; L719-M721 VanDerWaalsContact C-N 3.27Å; L719-M721 PolarHBondContact O-N 3.42Å; L719-L727 HydrophobicContact CD2-CD2 3.91Å; L719-L790 HydrophobicContact CB-CD2 3.77Å; L719-L790 HydrophobicContact CD1-CD2 4.24Å; L719-I793 HydrophobicContact CD1-CG2 4.22Å; L719-I793 HydrophobicContact CD2-CG2 4.27Å; L719-V794 HydrophobicContact CD1-CG2 3.99Å; L719-L797 HydrophobicContact CD2-CD1 4.04Å |
| 720 | T | 78.4 | Confident | 80 | Confident | 96 Ų | 96 | 46.4 Ų | 46.4 | 59% | 0.589 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -71.3 | -20 | 175.3 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | L716 R717 E718 L790 | L716-T720 VanDerWaalsContact O-CG2 3.28Å; L716-T720 WeakPolarHBondContact O-CG2 3.46Å; L716-T720 PolarHBondContact O-N 3.05Å; L716-T720 PolarHBondContact O-OG1 3.36Å; R717-T720 PolarHBondContact O-N 2.88Å; R717-T720 PolarHBondContact O-OG1 2.77Å; E718-T720 VanDerWaalsContact C-N 3.29Å; E718-T720 PolarHBondContact O-N 3.43Å; T720-L790 HydrophobicContact CG2-CD1 4.35Å; T720-L790 HydrophobicContact CG2-CD2 4.42Å |
| 721 | M | 77.8 | Confident | 80.1 | Confident | 133 Ų | 133 | 42.6 Ų | 42.6 | 66% | 0.655 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -84.3 | -20.1 | -179.7 | -66 | -175 | -178.4 | 0 | 0 | 113.2 | R717 E718 L719 | R717-M721 HydrophobicContact CG-CE 3.85Å; R717-M721 WeakPolarHBondContact O-CG 3.34Å; E718-M721 PolarHBondContact O-N 2.86Å; L719-M721 VanDerWaalsContact C-N 3.27Å; L719-M721 PolarHBondContact O-N 3.42Å |
| 722 | Y | 79.7 | Confident | 80.2 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 26% | 0.255 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -88.5 | 143.7 | -174.6 | -74.3 | -65 | 0 | 0 | 0 | 113.6 | L702 V703 L704 E718 D726 | L702-Y722 HydrophobicContact CD1-CD1 3.87Å; L702-Y722 HydrophobicContact CD1-CD2 3.52Å; L702-Y722 HydrophobicContact CD1-CE1 4.02Å; L702-Y722 HydrophobicContact CD1-CE2 3.67Å; L702-Y722 HydrophobicContact CD1-CG 3.62Å; V703-Y722 PolarHBondContact O-OH 2.85Å; L704-Y722 HydrophobicContact CD2-CE2 4.09Å; E718-Y722 WeakPolarHBondContact O-CD2 3.49Å; Y722-D726 HydrophobicContact CD1-CB 3.82Å; Y722-D726 HydrophobicContact CG-CB 4.38Å |
| 723 | S | 75.5 | Confident | 80.3 | Confident | 45 Ų | 45 | 46.3 Ų | 46.3 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | trans | -83.2 | 163.8 | 174 | 76.6 | 0 | 0 | 0 | 0 | 112 | V725 D726 L727 | S723-V725 PolarHBondContact O-N 2.81Å; S723-V725 VanDerWaalsContact O-N 3.13Å; S723-D726 WeakPolarHBondContact CB-OD2 3.33Å; S723-D726 PolarHBondContact N-OD2 2.88Å; S723-D726 WeakPolarHBondContact O-CA 3.46Å; S723-D726 WeakPolarHBondContact O-CB 3.48Å; S723-D726 PolarHBondContact O-N 2.9Å; S723-D726 VanDerWaalsContact OG-CG 3.29Å; S723-D726 PolarHBondContact OG-OD2 3.09Å; S723-L727 PolarHBondContact O-N 2.97Å | ||
| 724 | D | 74.4 | Confident | 80.3 | Confident | 95 Ų | 95 | 46.1 Ų | 46.1 | 51% | 0.508 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33.6 | -177 | -57.8 | 12.3 | 0 | 0 | 0 | 113.3 | K915 | D724-K915 WeakPolarHBondContact OD1-CE 3.49Å; D724-K915 IonicContact OD1-NZ 3.57Å; D724-K915 PolarHBondContact OD1-NZ 2.87Å |
| 725 | V | 74.3 | Confident | 80.2 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -30 | 177.7 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | S723 K728 | S723-V725 PolarHBondContact O-N 2.81Å; S723-V725 VanDerWaalsContact O-N 3.13Å; V725-K728 PolarHBondContact O-N 3.23Å |
| 726 | D | 78.4 | Confident | 79.9 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -74.6 | -32 | -180 | -57 | -48.4 | 0 | 0 | 0 | 111.7 | Y722 S723 K728 K729 | Y722-D726 HydrophobicContact CD1-CB 3.82Å; Y722-D726 HydrophobicContact CG-CB 4.38Å; S723-D726 WeakPolarHBondContact CB-OD2 3.33Å; S723-D726 PolarHBondContact N-OD2 2.88Å; S723-D726 WeakPolarHBondContact O-CA 3.46Å; S723-D726 WeakPolarHBondContact O-CB 3.48Å; S723-D726 PolarHBondContact O-N 2.9Å; S723-D726 VanDerWaalsContact OG-CG 3.29Å; S723-D726 PolarHBondContact OG-OD2 3.09Å; D726-K728 PolarHBondContact O-N 3.44Å; D726-K729 HydrophobicContact CB-CD 4.49Å; D726-K729 WeakPolarHBondContact O-CB 3.46Å; D726-K729 PolarHBondContact O-N 3.45Å; D726-K729 WeakPolarHBondContact OD1-CE 3.43Å; D726-K729 IonicContact OD1-NZ 3.72Å; D726-K729 PolarHBondContact OD1-NZ 3.12Å |
| 727 | L | 80.9 | Confident | 79.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -64.2 | -19.7 | 175.5 | -66 | 176.1 | 0 | 0 | 0 | 113.7 | L702 L719 S723 I793 L797 K915 V916 | L702-L727 HydrophobicContact CD2-CD2 4.37Å; L719-L727 HydrophobicContact CD2-CD2 3.91Å; S723-L727 PolarHBondContact O-N 2.97Å; L727-I793 HydrophobicContact CD1-CD1 4.38Å; L727-I793 HydrophobicContact CD1-CG2 4.37Å; L727-I793 HydrophobicContact CD2-CG2 4.3Å; L727-L797 WeakPolarHBondContact O-CD2 3.37Å; L727-K915 HydrophobicContact CD1-CD 3.89Å; L727-K915 HydrophobicContact CD1-CG 4.25Å; L727-V916 HydrophobicContact CB-CG2 4.27Å; L727-V916 HydrophobicContact CD1-CG2 4.32Å |
| 728 | K | 82 | Confident | 79.2 | Confident | 57 Ų | 57 | 52.2 Ų | 52.2 | 25% | 0.248 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -90.9 | -1 | 178.8 | -65.4 | -171.3 | 172.5 | -155 | 0 | 113.8 | M674 V725 D726 Y800 | M674-K728 WeakPolarHBondContact CA-O 3.36Å; M674-K728 WeakPolarHBondContact CG-O 3.11Å; V725-K728 PolarHBondContact O-N 3.23Å; D726-K728 PolarHBondContact O-N 3.44Å; K728-Y800 WeakPolarHBondContact O-CE1 3.45Å; K728-Y800 PolarHBondContact O-OH 3.46Å |
| 729 | K | 83.4 | Confident | 78 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -77 | 159.1 | 175.6 | -64.9 | 174.4 | -174.5 | 170 | 0 | 110.7 | A677 N699 L702 D726 L731 | A677-K729 HydrophobicContact CB-CG 4.05Å; N699-K729 WeakPolarHBondContact O-CE 3.07Å; N699-K729 PolarHBondContact O-NZ 3.11Å; L702-K729 HydrophobicContact CB-CB 4.2Å; D726-K729 HydrophobicContact CB-CD 4.49Å; D726-K729 WeakPolarHBondContact O-CB 3.46Å; D726-K729 PolarHBondContact O-N 3.45Å; D726-K729 WeakPolarHBondContact OD1-CE 3.43Å; D726-K729 IonicContact OD1-NZ 3.72Å; D726-K729 PolarHBondContact OD1-NZ 3.12Å; K729-L731 PolarHBondContact O-N 2.92Å |
| 730 | P | 80.8 | Confident | 76.9 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 21% | 0.208 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 129.5 | 172.9 | -19.2 | 29.4 | 0 | 0 | 0 | 110.9 | M674 V678 Y701 L702 | M674-P730 HydrophobicContact CB-CG 4.14Å; M674-P730 HydrophobicContact CG-CG 4.33Å; M674-P730 HydrophobicContact SD-CB 4.26Å; M674-P730 HydrophobicContact SD-CG 4.16Å; V678-P730 HydrophobicContact CG2-CG 4Å; Y701-P730 HydrophobicContact CD1-CB 3.98Å; Y701-P730 HydrophobicContact CD1-CG 4.43Å; Y701-P730 HydrophobicContact CE1-CB 4.25Å; L702-P730 PolarHBondContact N-O 3.4Å |
| 731 | L | 84.7 | Confident | 75.9 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 137.1 | -177.9 | 177.2 | 65.7 | 0 | 0 | 0 | 110.7 | L702 L704 K729 V733 T747 F751 | L702-L731 HydrophobicContact CD2-CD1 3.89Å; L702-L731 HydrophobicContact CG-CD1 4.06Å; L702-L731 CarbonylContact O-C 3.38Å; L704-L731 HydrophobicContact CD1-CD1 3.65Å; L704-L731 HydrophobicContact CG-CD1 3.8Å; K729-L731 PolarHBondContact O-N 2.92Å; L731-V733 HydrophobicContact CD1-CG2 4.24Å; L731-V733 HydrophobicContact CD2-CG2 4.17Å; L731-V733 HydrophobicContact CG-CG2 4.11Å; L731-T747 HydrophobicContact CD2-CG2 4.48Å; L731-T747 HydrophobicContact CG-CG2 4.46Å; L731-F751 HydrophobicContact CD2-CE2 3.8Å; L731-F751 HydrophobicContact CD2-CZ 3.56Å |
| 732 | K | 82.4 | Confident | 74.9 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 38% | 0.378 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 121.9 | 170.6 | -172.9 | 175.3 | -177.2 | 178.2 | 0 | 109.6 | L702 V703 L704 D742 | L702-K732 PolarHBondContact O-N 3.28Å; V703-K732 WeakPolarHBondContact CA-O 3.43Å; V703-K732 HydrophobicContact CG2-CB 4.47Å; L704-K732 PolarHBondContact N-O 3.3Å; K732-D742 WeakPolarHBondContact CA-OD2 3.41Å; K732-D742 HydrophobicContact CG-CB 4.12Å |
| 733 | V | 82.7 | Confident | 73.8 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.9 | -179.9 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | V706 L731 D742 V746 T747 F750 | V706-V733 HydrophobicContact CG2-CG1 3.8Å; L731-V733 HydrophobicContact CD1-CG2 4.24Å; L731-V733 HydrophobicContact CD2-CG2 4.17Å; L731-V733 HydrophobicContact CG-CG2 4.11Å; V733-D742 PolarHBondContact N-OD2 2.87Å; V733-V746 HydrophobicContact CB-CG1 4.35Å; V733-V746 HydrophobicContact CG1-CG1 4.38Å; V733-T747 HydrophobicContact CB-CG2 4.37Å; V733-T747 HydrophobicContact CG2-CG2 3.99Å; V733-F750 HydrophobicContact CG1-CB 3.99Å; V733-F750 HydrophobicContact CG1-CD2 4Å; V733-F750 HydrophobicContact CG1-CG 3.95Å; V733-F750 HydrophobicContact CG2-CB 4.26Å; V733-F750 HydrophobicContact CG2-CD1 3.86Å; V733-F750 HydrophobicContact CG2-CE1 4.35Å; V733-F750 HydrophobicContact CG2-CG 3.99Å |
| 734 | I | 81.4 | Confident | 73.2 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 28% | 0.282 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.1 | 178.9 | -57.3 | 177.9 | 0 | 0 | 0 | 108.5 | V703 L704 V706 | V703-I734 HydrophobicContact CG1-CD1 3.63Å; V703-I734 HydrophobicContact CG1-CG1 4.21Å; L704-I734 PolarHBondContact O-N 3.45Å; V706-I734 PolarHBondContact N-O 2.92Å |
| 735 | F | 81.4 | Confident | 72.8 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.7 | 169.1 | -76 | -71.5 | 0 | 0 | 0 | 110 | V706 R708 L711 G737 E738 V746 F750 | V706-F735 HydrophobicContact CG2-CD1 3.84Å; V706-F735 HydrophobicContact CG2-CE1 3.75Å; V706-F735 HydrophobicContact CG2-CZ 4.36Å; V706-F735 VanDerWaalsContact O-CA 3.31Å; V706-F735 WeakPolarHBondContact O-CA 3.23Å; R708-F735 HydrophobicContact CG-CD1 3.8Å; R708-F735 HydrophobicContact CG-CE1 3.93Å; L711-F735 HydrophobicContact CD1-CE1 3.58Å; L711-F735 HydrophobicContact CD1-CZ 4.08Å; F735-G737 PolarHBondContact O-N 3Å; F735-E738 HydrophobicContact CB-CB 4.28Å; F735-E738 HydrophobicContact CB-CG 4.3Å; F735-E738 PolarHBondContact O-N 2.89Å; F735-E738 VanDerWaalsContact O-N 3.17Å; F735-V746 HydrophobicContact CD2-CG1 3.73Å; F735-V746 HydrophobicContact CE2-CG1 3.79Å; F735-F750 HydrophobicContact CZ-CB 4.46Å |
| 736 | D | 77.6 | Confident | 72.9 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 120.6 | -178 | -74.2 | -18.8 | 0 | 0 | 0 | 110.7 | H705 V706 R707 | H705-D736 IonicContact ND1-OD1 3.76Å; V706-D736 PolarHBondContact O-N 2.81Å; V706-D736 VanDerWaalsContact O-N 3.07Å; R707-D736 HydrophobicContact CG-CB 3.97Å |
| 737 | G | 70.7 | Confident | 72.8 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 90% | 0.897 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | 1.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F735 | F735-G737 PolarHBondContact O-N 3Š|
| 738 | E | 74 | Confident | 72.5 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | trans | -114.1 | 129.1 | 178.4 | -65.1 | 178.8 | -162.5 | 0 | 0 | 111.7 | R708 F735 A740 | R708-E738 IonicContact CZ-OE1 3.43Å; R708-E738 IonicContact CZ-OE2 3.17Å; R708-E738 IonicContact NE-OE1 3.77Å; R708-E738 PolarHBondContact NE-OE1 3.03Å; R708-E738 IonicContact NE-OE2 2.98Å; R708-E738 IonicContact NH2-OE1 3.37Å; R708-E738 PolarHBondContact NH2-OE1 2.93Å; R708-E738 IonicContact NH2-OE2 3.11Å; R708-E738 PolarHBondContact NH2-OE2 2.71Å; R708-E738 VanDerWaalsContact NH2-OE2 3.08Å; F735-E738 HydrophobicContact CB-CB 4.28Å; F735-E738 HydrophobicContact CB-CG 4.3Å; F735-E738 PolarHBondContact O-N 2.89Å; F735-E738 VanDerWaalsContact O-N 3.17Å; E738-A740 PolarHBondContact O-N 2.66Å; E738-A740 VanDerWaalsContact O-N 3.08Å | ||
| 739 | E | 56 | Low | 72.3 | Confident | 208 Ų | 208 | 53.5 Ų | 53.5 | 97% | 0.972 | 33% | 0.327 | S | S | * | . | trans | -84 | 50.1 | 174.2 | -68 | -170 | 164.4 | 0 | 0 | 111.8 | ||||
| 740 | A | 59.4 | Low | 72.3 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | trans | -92.5 | 128.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E738 V746 | E738-A740 PolarHBondContact O-N 2.66Å; E738-A740 VanDerWaalsContact O-N 3.08Å; A740-V746 HydrophobicContact CB-CG2 4.16Å | ||
| 741 | V | 57.5 | Low | 72.4 | Confident | 125 Ų | 125 | 51.8 Ų | 51.8 | 76% | 0.758 | 32% | 0.316 | S | S | * | . | trans | -85.2 | 113.6 | 169.6 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | A743 | V741-A743 PolarHBondContact O-N 3.26Š| ||
| 742 | D | 56.6 | Low | 72.1 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 16% | 0.16 | 32% | 0.321 | C | S | . | . | trans | -64.2 | 103.6 | 178.5 | -170.8 | 6.5 | 0 | 0 | 0 | 111.2 | K732 V733 G744 V746 T747 | K732-D742 WeakPolarHBondContact CA-OD2 3.41Å; K732-D742 HydrophobicContact CG-CB 4.12Å; V733-D742 PolarHBondContact N-OD2 2.87Å; D742-G744 PolarHBondContact OD1-N 2.98Å; D742-V746 HydrophobicContact CB-CB 4.49Å; D742-T747 WeakPolarHBondContact OD2-CG2 3.44Å | ||
| 743 | A | 56.4 | Low | 72 | Confident | 92 Ų | 92 | 52 Ų | 52 | 76% | 0.76 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -112 | 25.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | V741 | V741-A743 PolarHBondContact O-N 3.26Š|
| 744 | G | 61.4 | Low | 72 | Confident | 39 Ų | 39 | 52 Ų | 52 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 96.3 | -17 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D742 T747 K748 | D742-G744 PolarHBondContact OD1-N 2.98Å; G744-T747 WeakPolarHBondContact CA-OG1 3.43Å; G744-T747 PolarHBondContact O-OG1 2.63Å; G744-K748 WeakPolarHBondContact O-CB 3.42Å; G744-K748 PolarHBondContact O-N 3.01Å |
| 745 | G | 67.8 | Low | 72.1 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K748 E749 | G745-K748 PolarHBondContact O-N 2.91Å; G745-E749 PolarHBondContact O-N 3.14Å |
| 746 | V | 74.9 | Confident | 72 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.6 | -40.4 | -179 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | V733 F735 A740 D742 E749 F750 | V733-V746 HydrophobicContact CB-CG1 4.35Å; V733-V746 HydrophobicContact CG1-CG1 4.38Å; F735-V746 HydrophobicContact CD2-CG1 3.73Å; F735-V746 HydrophobicContact CE2-CG1 3.79Å; A740-V746 HydrophobicContact CB-CG2 4.16Å; D742-V746 HydrophobicContact CB-CB 4.49Å; V746-E749 PolarHBondContact O-N 3.03Å; V746-F750 WeakPolarHBondContact O-CB 3.38Å; V746-F750 PolarHBondContact O-N 2.93Å |
| 747 | T | 77.5 | Confident | 72.2 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 8% | 0.08 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.2 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | L731 V733 D742 G744 F750 F751 | L731-T747 HydrophobicContact CD2-CG2 4.48Å; L731-T747 HydrophobicContact CG-CG2 4.46Å; V733-T747 HydrophobicContact CB-CG2 4.37Å; V733-T747 HydrophobicContact CG2-CG2 3.99Å; D742-T747 WeakPolarHBondContact OD2-CG2 3.44Å; G744-T747 WeakPolarHBondContact CA-OG1 3.43Å; G744-T747 PolarHBondContact O-OG1 2.63Å; T747-F750 WeakPolarHBondContact O-CB 3.45Å; T747-F750 PolarHBondContact O-N 3.01Å; T747-F751 WeakPolarHBondContact O-CD2 3.48Å; T747-F751 PolarHBondContact O-N 2.95Å |
| 748 | K | 74.8 | Confident | 72.6 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 19% | 0.191 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 175.4 | -174.7 | -175.5 | 176.4 | -154.8 | 0 | 111.5 | G744 G745 F750 F751 L752 T803 T985 T1017 N1020 | G744-K748 WeakPolarHBondContact O-CB 3.42Å; G744-K748 PolarHBondContact O-N 3.01Å; G745-K748 PolarHBondContact O-N 2.91Å; K748-F750 VanDerWaalsContact C-N 3.34Å; K748-F750 PolarHBondContact O-N 3.49Å; K748-F751 PolarHBondContact O-N 3.41Å; K748-L752 HydrophobicContact CG-CD1 4.2Å; K748-L752 WeakPolarHBondContact O-CG 3.48Å; K748-L752 PolarHBondContact O-N 3.43Å; K748-L752 VanDerWaalsContact O-N 3.11Å; K748-T803 HydrophobicContact CB-CG2 4.46Å; K748-T803 HydrophobicContact CG-CG2 4.16Å; K748-T985 PolarHBondContact NZ-O 3.13Å; K748-T1017 PolarHBondContact NZ-O 2.99Å; K748-N1020 PolarHBondContact NZ-OD1 2.9Å |
| 749 | E | 77.1 | Confident | 72.9 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 176.1 | -172.5 | 177.3 | 172.1 | 0 | 0 | 111.7 | R708 G745 V746 F751 L752 L753 C1018 | R708-E749 IonicContact CZ-OE1 3.33Å; R708-E749 IonicContact NH1-OE1 3.93Å; R708-E749 PolarHBondContact NH1-OE1 3.44Å; R708-E749 IonicContact NH2-OE1 2.73Å; R708-E749 PolarHBondContact NH2-OE1 3.41Å; G745-E749 PolarHBondContact O-N 3.14Å; V746-E749 PolarHBondContact O-N 3.03Å; E749-F751 PolarHBondContact O-N 3Å; E749-L752 PolarHBondContact O-N 2.85Å; E749-L753 HydrophobicContact CG-CD1 3.95Å; E749-L753 HydrophobicContact CG-CG 4.41Å; E749-L753 WeakPolarHBondContact O-CG 3.46Å; E749-L753 PolarHBondContact O-N 2.65Å; E749-C1018 HydrophobicContact CB-CB 4.21Å; E749-C1018 VanDerWaalsContact CB-SG 3.54Å; E749-C1018 WeakPolarHBondContact CG-SG 3.47Å; E749-C1018 PolarHBondContact OE2-SG 3.14Å |
| 750 | F | 83.6 | Confident | 74 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.8 | -49.5 | 177.4 | 167.6 | -102.6 | 0 | 0 | 0 | 112.4 | L704 V706 L711 T715 V733 F735 V746 T747 K748 L753 L754 | L704-F750 HydrophobicContact CD1-CE1 4.19Å; L704-F750 HydrophobicContact CD1-CZ 4.07Å; V706-F750 HydrophobicContact CG1-CE2 4.1Å; V706-F750 HydrophobicContact CG2-CD2 4.17Å; V706-F750 HydrophobicContact CG2-CE2 4.25Å; L711-F750 HydrophobicContact CD1-CD2 4.18Å; L711-F750 HydrophobicContact CD1-CE2 4.47Å; L711-F750 HydrophobicContact CG-CD2 4.46Å; L711-F750 HydrophobicContact CG-CE2 4.39Å; T715-F750 HydrophobicContact CG2-CE2 4.44Å; T715-F750 HydrophobicContact CG2-CZ 3.79Å; T715-F750 WeakPolarHBondContact OG1-CE2 3.15Å; V733-F750 HydrophobicContact CG1-CB 3.99Å; V733-F750 HydrophobicContact CG1-CD2 4Å; V733-F750 HydrophobicContact CG1-CG 3.95Å; V733-F750 HydrophobicContact CG2-CB 4.26Å; V733-F750 HydrophobicContact CG2-CD1 3.86Å; V733-F750 HydrophobicContact CG2-CE1 4.35Å; V733-F750 HydrophobicContact CG2-CG 3.99Å; F735-F750 HydrophobicContact CZ-CB 4.46Å; V746-F750 WeakPolarHBondContact O-CB 3.38Å; V746-F750 PolarHBondContact O-N 2.93Å; T747-F750 WeakPolarHBondContact O-CB 3.45Å; T747-F750 PolarHBondContact O-N 3.01Å; K748-F750 VanDerWaalsContact C-N 3.34Å; K748-F750 PolarHBondContact O-N 3.49Å; F750-L753 PolarHBondContact O-N 3.4Å; F750-L754 HydrophobicContact CE1-CD2 4.01Å; F750-L754 HydrophobicContact CE2-CD2 4.11Å; F750-L754 HydrophobicContact CZ-CD2 3.6Å; F750-L754 WeakPolarHBondContact O-CB 3.34Å; F750-L754 PolarHBondContact O-N 2.88Å |
| 751 | F | 83.2 | Confident | 74.7 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 179.3 | -75 | -61.6 | 0 | 0 | 0 | 112.9 | L731 T747 K748 E749 L755 V794 L797 A798 T803 V805 | L731-F751 HydrophobicContact CD2-CE2 3.8Å; L731-F751 HydrophobicContact CD2-CZ 3.56Å; T747-F751 WeakPolarHBondContact O-CD2 3.48Å; T747-F751 PolarHBondContact O-N 2.95Å; K748-F751 PolarHBondContact O-N 3.41Å; E749-F751 PolarHBondContact O-N 3Å; F751-L755 WeakPolarHBondContact O-CB 3.31Å; F751-L755 PolarHBondContact O-N 2.78Å; F751-V794 HydrophobicContact CD1-CG1 4.01Å; F751-V794 HydrophobicContact CE1-CG1 4.13Å; F751-L797 HydrophobicContact CE1-CB 4.03Å; F751-L797 HydrophobicContact CZ-CB 3.86Å; F751-A798 HydrophobicContact CD1-CB 3.99Å; F751-A798 HydrophobicContact CE1-CB 4.09Å; F751-A798 HydrophobicContact CG-CB 4.24Å; F751-A798 HydrophobicContact CZ-CB 4.4Å; F751-T803 HydrophobicContact CB-CG2 4.43Å; F751-T803 HydrophobicContact CD2-CG2 4.14Å; F751-V805 HydrophobicContact CB-CG2 4.33Å |
| 752 | L | 77.2 | Confident | 75.5 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 19% | 0.194 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 179 | -72 | 172.5 | 0 | 0 | 0 | 111.8 | K748 E749 K756 | K748-L752 HydrophobicContact CG-CD1 4.2Å; K748-L752 WeakPolarHBondContact O-CG 3.48Å; K748-L752 PolarHBondContact O-N 3.43Å; K748-L752 VanDerWaalsContact O-N 3.11Å; E749-L752 PolarHBondContact O-N 2.85Å; L752-K756 WeakPolarHBondContact O-CB 3.39Å; L752-K756 PolarHBondContact O-N 3.28Å |
| 753 | L | 80.8 | Confident | 76.4 | Confident | 72 Ų | 72 | 46.1 Ų | 46.1 | 38% | 0.377 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 177.9 | -67.7 | 176 | 0 | 0 | 0 | 111.3 | L711 E749 F750 K756 E757 | L711-L753 HydrophobicContact CD2-CB 3.9Å; E749-L753 HydrophobicContact CG-CD1 3.95Å; E749-L753 HydrophobicContact CG-CG 4.41Å; E749-L753 WeakPolarHBondContact O-CG 3.46Å; E749-L753 PolarHBondContact O-N 2.65Å; F750-L753 PolarHBondContact O-N 3.4Å; L753-K756 PolarHBondContact O-N 3.08Å; L753-E757 PolarHBondContact O-N 3.35Å; L753-E757 VanDerWaalsContact O-N 3.08Å |
| 754 | L | 83.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -46.6 | -176.2 | -175.6 | 65.2 | 0 | 0 | 0 | 112.3 | L711 V712 T715 F750 K756 E757 L758 V794 | L711-L754 VanDerWaalsContact CD2-CA 3.44Å; L711-L754 HydrophobicContact CD2-CB 3.57Å; L711-L754 HydrophobicContact CD2-CD1 3.84Å; L711-L754 HydrophobicContact CD2-CG 4.3Å; L711-L754 HydrophobicContact CG-CD1 4.27Å; V712-L754 HydrophobicContact CG2-CD1 3.96Å; T715-L754 HydrophobicContact CG2-CD2 3.87Å; F750-L754 HydrophobicContact CE1-CD2 4.01Å; F750-L754 HydrophobicContact CE2-CD2 4.11Å; F750-L754 HydrophobicContact CZ-CD2 3.6Å; F750-L754 WeakPolarHBondContact O-CB 3.34Å; F750-L754 PolarHBondContact O-N 2.88Å; L754-K756 VanDerWaalsContact C-N 3.35Å; L754-E757 PolarHBondContact O-N 3.24Å; L754-L758 HydrophobicContact CD1-CD1 3.8Å; L754-L758 HydrophobicContact CD1-CG 4.12Å; L754-L758 HydrophobicContact CD2-CD1 4.25Å; L754-L758 HydrophobicContact CG-CD1 3.63Å; L754-L758 HydrophobicContact CG-CG 4.3Å; L754-L758 VanDerWaalsContact O-CB 3.3Å; L754-L758 WeakPolarHBondContact O-CB 3.19Å; L754-L758 VanDerWaalsContact O-CG 3.26Å; L754-L758 WeakPolarHBondContact O-CG 3.35Å; L754-L758 PolarHBondContact O-N 2.94Å; L754-V794 HydrophobicContact CD2-CG1 3.75Å; L754-V794 HydrophobicContact CD2-CG2 3.87Å |
| 755 | L | 81.8 | Confident | 78.3 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.5 | -30.5 | -178.8 | -74.1 | 164 | 0 | 0 | 0 | 111.9 | F751 L759 V794 V805 L807 | F751-L755 WeakPolarHBondContact O-CB 3.31Å; F751-L755 PolarHBondContact O-N 2.78Å; L755-L759 WeakPolarHBondContact O-CB 3.44Å; L755-L759 WeakPolarHBondContact O-CG 3.45Å; L755-L759 PolarHBondContact O-N 2.88Å; L755-V794 HydrophobicContact CD1-CG1 4.28Å; L755-V794 HydrophobicContact CD2-CG1 3.99Å; L755-V794 HydrophobicContact CG-CG1 4.05Å; L755-V805 HydrophobicContact CB-CG1 4.24Å; L755-V805 HydrophobicContact CD1-CB 4.09Å; L755-V805 HydrophobicContact CD1-CG1 3.51Å; L755-V805 HydrophobicContact CD1-CG2 4.03Å; L755-V805 HydrophobicContact CG-CG1 4.49Å; L755-L807 HydrophobicContact CD1-CD2 4.44Å; L755-L807 HydrophobicContact CD2-CD2 4.37Å |
| 756 | K | 79.3 | Confident | 79.2 | Confident | 169 Ų | 169 | 41.1 Ų | 41.1 | 74% | 0.735 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -63.9 | -42.6 | 171.9 | -174.7 | 178.5 | -179.5 | 180 | 0 | 111.9 | L752 L753 L754 | L752-K756 WeakPolarHBondContact O-CB 3.39Å; L752-K756 PolarHBondContact O-N 3.28Å; L753-K756 PolarHBondContact O-N 3.08Å; L754-K756 VanDerWaalsContact C-N 3.35Å |
| 757 | E | 81.8 | Confident | 79.6 | Confident | 72 Ų | 72 | 43 Ų | 43 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.9 | -45.5 | 178 | -164.6 | 178.8 | 168.7 | 0 | 0 | 111.3 | V712 L753 L754 L759 D760 Y763 | V712-E757 HydrophobicContact CG2-CB 4.21Å; V712-E757 VanDerWaalsContact CG2-CD 3.49Å; V712-E757 HydrophobicContact CG2-CG 3.9Å; L753-E757 PolarHBondContact O-N 3.35Å; L753-E757 VanDerWaalsContact O-N 3.08Å; L754-E757 PolarHBondContact O-N 3.24Å; E757-L759 PolarHBondContact O-N 2.8Å; E757-D760 WeakPolarHBondContact O-CB 3.16Å; E757-D760 PolarHBondContact O-N 3.23Å; E757-Y763 HydrophobicContact CG-CE2 4.25Å; E757-Y763 WeakPolarHBondContact O-CD2 3.39Å; E757-Y763 WeakPolarHBondContact O-CE2 3.36Å; E757-Y763 PolarHBondContact OE1-OH 3.15Å |
| 758 | L | 80.1 | Confident | 80 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -31.8 | -177.7 | -75.7 | 173.3 | 0 | 0 | 0 | 114.5 | V712 L754 D760 W787 I791 | V712-L758 HydrophobicContact CG1-CD2 3.77Å; V712-L758 HydrophobicContact CG2-CD2 4.02Å; V712-L758 HydrophobicContact CG2-CG 4.2Å; L754-L758 HydrophobicContact CD1-CD1 3.8Å; L754-L758 HydrophobicContact CD1-CG 4.12Å; L754-L758 HydrophobicContact CD2-CD1 4.25Å; L754-L758 HydrophobicContact CG-CD1 3.63Å; L754-L758 HydrophobicContact CG-CG 4.3Å; L754-L758 VanDerWaalsContact O-CB 3.3Å; L754-L758 WeakPolarHBondContact O-CB 3.19Å; L754-L758 VanDerWaalsContact O-CG 3.26Å; L754-L758 WeakPolarHBondContact O-CG 3.35Å; L754-L758 PolarHBondContact O-N 2.94Å; L758-D760 VanDerWaalsContact C-N 3.3Å; L758-W787 HydrophobicContact CD2-CE3 4.48Å; L758-W787 HydrophobicContact CD2-CZ3 4.31Å; L758-I791 HydrophobicContact CD1-CG1 4.19Å; L758-I791 HydrophobicContact CD2-CG1 4.48Å |
| 759 | L | 80.2 | Confident | 80.4 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 1.6 | -179.7 | -62.2 | 176.4 | 0 | 0 | 0 | 112.7 | L755 E757 P761 F766 L775 L807 F809 | L755-L759 WeakPolarHBondContact O-CB 3.44Å; L755-L759 WeakPolarHBondContact O-CG 3.45Å; L755-L759 PolarHBondContact O-N 2.88Å; E757-L759 PolarHBondContact O-N 2.8Å; L759-P761 WeakPolarHBondContact O-CD 2.91Å; L759-F766 HydrophobicContact CD2-CD2 3.93Å; L759-F766 HydrophobicContact CD2-CE2 3.53Å; L759-F766 HydrophobicContact CD2-CZ 4.03Å; L759-L775 HydrophobicContact CB-CD1 3.95Å; L759-L807 HydrophobicContact CD1-CD2 3.82Å; L759-F809 HydrophobicContact CD2-CE2 3.92Å; L759-F809 HydrophobicContact CD2-CZ 3.79Å |
| 760 | D | 79.9 | Confident | 80.5 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | trans | -63.6 | 126.1 | 177.4 | -166.1 | -47.8 | 0 | 0 | 0 | 110.3 | E757 L758 V762 Y763 | E757-D760 WeakPolarHBondContact O-CB 3.16Å; E757-D760 PolarHBondContact O-N 3.23Å; L758-D760 VanDerWaalsContact C-N 3.3Å; D760-V762 PolarHBondContact O-N 3.44Å; D760-V762 VanDerWaalsContact OD1-CB 3.31Å; D760-V762 WeakPolarHBondContact OD1-CB 3.11Å; D760-V762 WeakPolarHBondContact OD1-CG2 3.34Å; D760-V762 PolarHBondContact OD1-N 3.35Å; D760-Y763 HydrophobicContact CB-CD2 4.16Å; D760-Y763 HydrophobicContact CB-CE2 4.38Å; D760-Y763 PolarHBondContact O-N 3.45Å; D760-Y763 VanDerWaalsContact O-N 3.14Å | ||
| 761 | P | 73.3 | Confident | 80.2 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -53.8 | -20.4 | 176.6 | -26.9 | 35.1 | 0 | 0 | 0 | 114.7 | L759 Y763 G764 H768 L775 | L759-P761 WeakPolarHBondContact O-CD 2.91Å; P761-Y763 PolarHBondContact O-N 3.23Å; P761-G764 PolarHBondContact O-N 2.89Å; P761-H768 HydrophobicContact CG-CB 4.16Å; P761-L775 HydrophobicContact CG-CD2 4.39Å |
| 762 | V | 74.5 | Confident | 80 | Confident | 127 Ų | 127 | 60 Ų | 60 | 77% | 0.77 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -58 | -31.1 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 112.5 | D760 G764 | D760-V762 PolarHBondContact O-N 3.44Å; D760-V762 VanDerWaalsContact OD1-CB 3.31Å; D760-V762 WeakPolarHBondContact OD1-CB 3.11Å; D760-V762 WeakPolarHBondContact OD1-CG2 3.34Å; D760-V762 PolarHBondContact OD1-N 3.35Å; V762-G764 PolarHBondContact O-N 2.9Å |
| 763 | Y | 75.1 | Confident | 80.2 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 34% | 0.341 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -74.9 | -11.2 | 177.1 | -70 | -82.1 | 0 | 0 | 0 | 113.6 | E757 D760 P761 M765 | E757-Y763 HydrophobicContact CG-CE2 4.25Å; E757-Y763 WeakPolarHBondContact O-CD2 3.39Å; E757-Y763 WeakPolarHBondContact O-CE2 3.36Å; E757-Y763 PolarHBondContact OE1-OH 3.15Å; D760-Y763 HydrophobicContact CB-CD2 4.16Å; D760-Y763 HydrophobicContact CB-CE2 4.38Å; D760-Y763 PolarHBondContact O-N 3.45Å; D760-Y763 VanDerWaalsContact O-N 3.14Å; P761-Y763 PolarHBondContact O-N 3.23Å; Y763-M765 PolarHBondContact O-N 3.37Å; Y763-M765 VanDerWaalsContact O-N 3.17Å |
| 764 | G | 76.2 | Confident | 80.5 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 69.1 | 8.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | P761 V762 | P761-G764 PolarHBondContact O-N 2.89Å; V762-G764 PolarHBondContact O-N 2.9Å |
| 765 | M | 81.4 | Confident | 80.7 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -74.9 | -35.9 | 178.2 | -64.6 | -175.4 | 67.8 | 0 | 0 | 112.4 | Y763 S778 V783 W787 F788 I791 | Y763-M765 PolarHBondContact O-N 3.37Å; Y763-M765 VanDerWaalsContact O-N 3.17Å; M765-S778 PolarHBondContact O-N 3.44Å; M765-S778 VanDerWaalsContact O-N 3.16Å; M765-V783 HydrophobicContact CG-CB 4.22Å; M765-V783 HydrophobicContact CG-CG1 4.31Å; M765-V783 HydrophobicContact CG-CG2 3.94Å; M765-V783 HydrophobicContact SD-CG1 4.26Å; M765-W787 HydrophobicContact CE-CB 3.6Å; M765-W787 HydrophobicContact SD-CB 4.18Å; M765-W787 HydrophobicContact SD-CE3 4.44Å; M765-F788 HydrophobicContact CB-CE1 4.05Å; M765-F788 HydrophobicContact CB-CZ 4.04Å; M765-F788 HydrophobicContact CE-CD1 3.7Å; M765-F788 HydrophobicContact CE-CD2 4.11Å; M765-F788 HydrophobicContact CE-CE1 3.68Å; M765-F788 HydrophobicContact CE-CE2 4.1Å; M765-F788 HydrophobicContact CE-CG 3.92Å; M765-F788 HydrophobicContact CE-CZ 3.89Å; M765-F788 HydrophobicContact CG-CZ 4.35Å; M765-I791 HydrophobicContact CE-CD1 3.33Å; M765-I791 HydrophobicContact CE-CG1 4.43Å; M765-I791 HydrophobicContact SD-CD1 3.91Å |
| 766 | F | 86.5 | Confident | 81.1 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.7 | -178.6 | -55 | -77.3 | 0 | 0 | 0 | 111.1 | L759 L775 W776 F777 F788 I791 F809 | L759-F766 HydrophobicContact CD2-CD2 3.93Å; L759-F766 HydrophobicContact CD2-CE2 3.53Å; L759-F766 HydrophobicContact CD2-CZ 4.03Å; F766-L775 HydrophobicContact CB-CB 4.26Å; F766-L775 HydrophobicContact CB-CD2 4.48Å; F766-W776 CarbonylContact C-O 3.59Å; F766-W776 VanDerWaalsContact CA-O 3.3Å; F766-W776 WeakPolarHBondContact CA-O 3.33Å; F766-F777 HydrophobicContact CD1-CD1 4.29Å; F766-F777 AromaticContact CE1-CD1 3.72Å; F766-F777 HydrophobicContact CE1-CD1 3.72Å; F766-F777 AromaticContact CE1-CE1 3.75Å; F766-F777 HydrophobicContact CE1-CE1 3.75Å; F766-F777 HydrophobicContact CE1-CG 4.35Å; F766-F777 HydrophobicContact CE1-CZ 4.39Å; F766-F777 HydrophobicContact CZ-CE1 4.49Å; F766-F788 HydrophobicContact CE1-CE1 4.37Å; F766-F788 HydrophobicContact CZ-CD1 4.49Å; F766-F788 HydrophobicContact CZ-CE1 4.35Å; F766-I791 HydrophobicContact CE2-CD1 3.83Å; F766-I791 HydrophobicContact CZ-CD1 4.01Å; F766-F809 AromaticContact CD1-CE1 3.63Å; F766-F809 HydrophobicContact CD1-CE1 3.63Å; F766-F809 AromaticContact CD1-CZ 3.8Å; F766-F809 HydrophobicContact CD1-CZ 3.8Å; F766-F809 AromaticContact CE1-CE1 3.64Å; F766-F809 HydrophobicContact CE1-CE1 3.64Å; F766-F809 AromaticContact CE1-CZ 3.45Å; F766-F809 HydrophobicContact CE1-CZ 3.45Å; F766-F809 VanDerWaalsContact CE1-CZ 3.45Å; F766-F809 HydrophobicContact CE2-CZ 4.44Å; F766-F809 HydrophobicContact CG-CE1 4.42Å; F766-F809 HydrophobicContact CG-CZ 4.41Å; F766-F809 HydrophobicContact CZ-CE1 4.44Å; F766-F809 AromaticContact CZ-CZ 3.82Å; F766-F809 HydrophobicContact CZ-CZ 3.82Å |
| 767 | T | 84.9 | Confident | 81.5 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.6 | 174.6 | 50.3 | 0 | 0 | 0 | 0 | 109.6 | Y769 L775 W776 | T767-Y769 WeakPolarHBondContact OG1-CE2 3.25Å; T767-L775 WeakPolarHBondContact O-CA 3.42Å; T767-W776 PolarHBondContact N-O 2.94Å; T767-W776 PolarHBondContact O-N 3.3Å; T767-W776 PolarHBondContact OG1-O 3.21Å |
| 768 | H | 85.1 | Confident | 81.6 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.8 | 177.7 | -179.6 | -103.4 | 0 | 0 | 0 | 110.9 | P761 N773 L775 | P761-H768 HydrophobicContact CG-CB 4.16Å; H768-N773 PolarHBondContact NE2-OD1 3.4Å; H768-L775 HydrophobicContact CB-CD2 4.04Å |
| 769 | Y | 82.9 | Confident | 81.3 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 105.8 | 176 | -75 | -104 | 0 | 0 | 0 | 109.1 | T767 D771 S772 N773 L774 W776 L830 | T767-Y769 WeakPolarHBondContact OG1-CE2 3.25Å; Y769-D771 PolarHBondContact O-N 3.28Å; Y769-S772 WeakPolarHBondContact CB-OG 3.5Å; Y769-S772 PolarHBondContact O-N 2.9Å; Y769-N773 WeakPolarHBondContact O-CA 3.45Å; Y769-N773 PolarHBondContact O-N 3.47Å; Y769-L774 PolarHBondContact N-O 2.97Å; Y769-W776 HydrophobicContact CD2-CB 4.38Å; Y769-W776 HydrophobicContact CE2-CB 3.79Å; Y769-L830 HydrophobicContact CD1-CD1 4.38Å; Y769-L830 HydrophobicContact CD1-CG 4.33Å; Y769-L830 HydrophobicContact CD2-CD1 3.73Å; Y769-L830 HydrophobicContact CD2-CG 4.44Å; Y769-L830 HydrophobicContact CE1-CG 4.21Å; Y769-L830 HydrophobicContact CE2-CD1 3.92Å; Y769-L830 HydrophobicContact CE2-CG 4.36Å; Y769-L830 HydrophobicContact CG-CD1 3.99Å; Y769-L830 HydrophobicContact CG-CG 4.44Å |
| 770 | K | 79.2 | Confident | 80.8 | Confident | 185 Ų | 185 | 54.5 Ų | 54.5 | 80% | 0.804 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.9 | -175.3 | -64.7 | -177.6 | -178.7 | 177.5 | 0 | 113.9 | ||
| 771 | D | 77.8 | Confident | 80.4 | Confident | 111 Ų | 111 | 52.7 Ų | 52.7 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -35.7 | -177.5 | -70.8 | -2.3 | 0 | 0 | 0 | 112.7 | Y769 T833 | Y769-D771 PolarHBondContact O-N 3.28Å; D771-T833 PolarHBondContact OD2-OG1 2.95Å |
| 772 | S | 78.3 | Confident | 80.1 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -11.5 | -175.8 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | Y769 L774 E829 L830 | Y769-S772 WeakPolarHBondContact CB-OG 3.5Å; Y769-S772 PolarHBondContact O-N 2.9Å; S772-L774 PolarHBondContact O-N 2.87Å; S772-E829 WeakPolarHBondContact CB-O 3.22Å; S772-L830 WeakPolarHBondContact CB-O 3.4Å; S772-L830 PolarHBondContact OG-O 2.9Å |
| 773 | N | 82.3 | Confident | 80.1 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 30.8 | -170.5 | -163.4 | 42.4 | 0 | 0 | 0 | 113.3 | H768 Y769 | H768-N773 PolarHBondContact NE2-OD1 3.4Å; Y769-N773 WeakPolarHBondContact O-CA 3.45Å; Y769-N773 PolarHBondContact O-N 3.47Å |
| 774 | L | 85.8 | Confident | 80 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 157.7 | 179 | -64.6 | 173.6 | 0 | 0 | 0 | 111.5 | Y769 S772 H808 P810 E829 L830 | Y769-L774 PolarHBondContact N-O 2.97Å; S772-L774 PolarHBondContact O-N 2.87Å; L774-H808 CarbonylContact C-O 3.58Å; L774-H808 WeakPolarHBondContact CA-O 3.39Å; L774-H808 WeakPolarHBondContact CD2-O 3.35Å; L774-P810 HydrophobicContact CD1-CB 4.08Å; L774-E829 HydrophobicContact CD1-CG 3.86Å; L774-L830 HydrophobicContact CB-CD1 4.46Å |
| 775 | L | 88.2 | Confident | 80 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 141.4 | 176.1 | -61.6 | 175.5 | 0 | 0 | 0 | 109.9 | L759 P761 F766 T767 H768 H808 F809 P810 | L759-L775 HydrophobicContact CB-CD1 3.95Å; P761-L775 HydrophobicContact CG-CD2 4.39Å; F766-L775 HydrophobicContact CB-CB 4.26Å; F766-L775 HydrophobicContact CB-CD2 4.48Å; T767-L775 WeakPolarHBondContact O-CA 3.42Å; H768-L775 HydrophobicContact CB-CD2 4.04Å; L775-H808 HydrophobicContact CD1-CB 4.17Å; L775-H808 HydrophobicContact CG-CB 4.17Å; L775-H808 PolarHBondContact N-O 2.92Å; L775-F809 HydrophobicContact CB-CD1 4.31Å; L775-F809 HydrophobicContact CB-CE1 4.08Å; L775-F809 WeakPolarHBondContact O-CD1 3.32Å; L775-P810 WeakPolarHBondContact O-CD 3.36Å |
| 776 | W | 90.1 | Very high | 79.8 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.1 | 169.8 | -169 | -113.4 | 0 | 0 | 0 | 111.2 | F766 T767 Y769 S778 P810 A812 L813 K816 L830 V897 F898 V902 | F766-W776 CarbonylContact C-O 3.59Å; F766-W776 VanDerWaalsContact CA-O 3.3Å; F766-W776 WeakPolarHBondContact CA-O 3.33Å; T767-W776 PolarHBondContact N-O 2.94Å; T767-W776 PolarHBondContact O-N 3.3Å; T767-W776 PolarHBondContact OG1-O 3.21Å; Y769-W776 HydrophobicContact CD2-CB 4.38Å; Y769-W776 HydrophobicContact CE2-CB 3.79Å; W776-S778 PolarHBondContact O-N 3.03Å; W776-P810 HydrophobicContact CE3-CG 3.64Å; W776-P810 HydrophobicContact CZ3-CG 3.84Å; W776-A812 HydrophobicContact CH2-CB 4.39Å; W776-A812 HydrophobicContact CZ3-CB 4.36Å; W776-L813 HydrophobicContact CZ3-CB 4.16Å; W776-K816 HydrophobicContact CH2-CD 4.03Å; W776-K816 HydrophobicContact CZ2-CD 4.41Å; W776-L830 HydrophobicContact CB-CD1 3.98Å; W776-L830 HydrophobicContact CB-CD2 4.36Å; W776-L830 HydrophobicContact CD2-CD2 4.44Å; W776-L830 HydrophobicContact CG-CD2 4.14Å; W776-V897 PolarHBondContact NE1-O 2.92Å; W776-F898 AromaticContact CE2-CD1 3.98Å; W776-F898 AromaticContact CH2-CD1 3.86Å; W776-F898 HydrophobicContact CH2-CD1 3.86Å; W776-F898 HydrophobicContact CH2-CE1 4.4Å; W776-F898 AromaticContact CZ2-CD1 3.54Å; W776-F898 HydrophobicContact CZ2-CD1 3.54Å; W776-F898 HydrophobicContact CZ2-CE1 4.3Å; W776-V902 HydrophobicContact CZ2-CG2 4.1Å |
| 777 | F | 88.6 | Confident | 79.6 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 137.5 | 178.9 | -61.6 | -88.4 | 0 | 0 | 0 | 111.4 | F766 F788 L813 V902 Q905 Y906 F909 | F766-F777 HydrophobicContact CD1-CD1 4.29Å; F766-F777 AromaticContact CE1-CD1 3.72Å; F766-F777 HydrophobicContact CE1-CD1 3.72Å; F766-F777 AromaticContact CE1-CE1 3.75Å; F766-F777 HydrophobicContact CE1-CE1 3.75Å; F766-F777 HydrophobicContact CE1-CG 4.35Å; F766-F777 HydrophobicContact CE1-CZ 4.39Å; F766-F777 HydrophobicContact CZ-CE1 4.49Å; F777-F788 AromaticContact CD1-CD1 3.94Å; F777-F788 HydrophobicContact CD1-CD1 3.94Å; F777-F788 AromaticContact CD1-CE1 3.81Å; F777-F788 HydrophobicContact CD1-CE1 3.81Å; F777-F788 AromaticContact CE1-CD1 3.95Å; F777-F788 HydrophobicContact CE1-CD1 3.95Å; F777-F788 HydrophobicContact CE1-CE1 4.27Å; F777-L813 HydrophobicContact CE2-CD1 3.78Å; F777-L813 HydrophobicContact CZ-CD1 4.1Å; F777-V902 HydrophobicContact CB-CB 3.81Å; F777-V902 HydrophobicContact CB-CG1 3.48Å; F777-V902 VanDerWaalsContact CB-CG1 3.48Å; F777-V902 HydrophobicContact CG-CB 4.45Å; F777-Q905 HydrophobicContact CD1-CB 4.03Å; F777-Y906 HydrophobicContact CE2-CD2 4.04Å; F777-Y906 HydrophobicContact CZ-CD2 4.26Å; F777-F909 HydrophobicContact CE1-CB 4Å; F777-F909 HydrophobicContact CE1-CG 4.15Å; F777-F909 HydrophobicContact CZ-CB 4.09Å; F777-F909 AromaticContact CZ-CD1 3.97Å; F777-F909 HydrophobicContact CZ-CD1 3.97Å; F777-F909 HydrophobicContact CZ-CD2 4.42Å; F777-F909 AromaticContact CZ-CG 3.9Å; F777-F909 HydrophobicContact CZ-CG 3.9Å |
| 778 | S | 83.6 | Confident | 79.7 | Confident | 12 Ų | 12 | 66 Ų | 66 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -75.6 | 132.8 | 177.6 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | M765 W776 K780 Q905 | M765-S778 PolarHBondContact O-N 3.44Å; M765-S778 VanDerWaalsContact O-N 3.16Å; W776-S778 PolarHBondContact O-N 3.03Å; S778-K780 VanDerWaalsContact C-N 3.28Å; S778-K780 PolarHBondContact O-N 2.71Å; S778-K780 PolarHBondContact OG-O 2.62Å; S778-Q905 PolarHBondContact O-NE2 2.87Å | ||
| 779 | D | 72.6 | Confident | 79.7 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 21% | 0.214 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -61.3 | -35.2 | 175.8 | 178.6 | 46.3 | 0 | 0 | 0 | 111.7 | N863 S901 | D779-N863 PolarHBondContact OD2-ND2 3.25Å; D779-S901 VanDerWaalsContact OD1-CB 3.31Å; D779-S901 WeakPolarHBondContact OD1-CB 3.41Å |
| 780 | K | 70.9 | Confident | 79.7 | Confident | 79 Ų | 79 | 63 Ų | 63 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -127.7 | 104.4 | 175.2 | -68.8 | -170.1 | -177.2 | 177.7 | 0 | 111.2 | S778 N863 Y864 E868 | S778-K780 VanDerWaalsContact C-N 3.28Å; S778-K780 PolarHBondContact O-N 2.71Å; S778-K780 PolarHBondContact OG-O 2.62Å; K780-N863 HydrophobicContact CD-CB 4.01Å; K780-Y864 HydrophobicContact CB-CE2 4.24Å; K780-Y864 PolarHBondContact O-OH 3.49Å; K780-E868 VanDerWaalsContact CE-OE2 3.29Å; K780-E868 WeakPolarHBondContact CE-OE2 3.45Å; K780-E868 IonicContact NZ-OE2 3.18Å; K780-E868 PolarHBondContact NZ-OE2 2.95Å |
| 781 | C | 70.2 | Confident | 80 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | trans | -117 | 135.8 | 178.2 | -169.7 | 0 | 0 | 0 | 0 | 110.3 | V783 F788 | C781-V783 VanDerWaalsContact C-N 3.35Å; C781-V783 WeakPolarHBondContact SG-CB 3.25Å; C781-V783 PolarHBondContact SG-N 2.77Å; C781-V783 VanDerWaalsContact SG-N 3.38Å; C781-F788 HydrophobicContact CB-CZ 4.4Å | ||
| 782 | F | 68.3 | Low | 80.4 | Confident | 183 Ų | 183 | 49 Ų | 49 | 80% | 0.803 | 24% | 0.241 | S | C | * | . | trans | -90.9 | -1 | 174 | -63.4 | -78.4 | 0 | 0 | 0 | 112.8 | Y864 | F782-Y864 HydrophobicContact CE2-CE1 4.42Å; F782-Y864 AromaticContact CE2-CE2 3.83Å; F782-Y864 HydrophobicContact CE2-CE2 3.83Å; F782-Y864 AromaticContact CE2-CZ 3.78Å | ||
| 783 | V | 73.6 | Confident | 80.8 | Confident | 43 Ų | 43 | 47.7 Ų | 47.7 | 26% | 0.261 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -86 | 140.1 | -178.8 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | M765 C781 W787 | M765-V783 HydrophobicContact CG-CB 4.22Å; M765-V783 HydrophobicContact CG-CG1 4.31Å; M765-V783 HydrophobicContact CG-CG2 3.94Å; M765-V783 HydrophobicContact SD-CG1 4.26Å; C781-V783 VanDerWaalsContact C-N 3.35Å; C781-V783 WeakPolarHBondContact SG-CB 3.25Å; C781-V783 PolarHBondContact SG-N 2.77Å; C781-V783 VanDerWaalsContact SG-N 3.38Å; V783-W787 HydrophobicContact CG1-CB 3.66Å; V783-W787 HydrophobicContact CG1-CD2 4.05Å; V783-W787 HydrophobicContact CG1-CG 3.45Å; V783-W787 VanDerWaalsContact CG1-CG 3.45Å |
| 784 | E | 73.9 | Confident | 81 | Confident | 130 Ų | 130 | 43.6 Ų | 43.6 | 61% | 0.607 | 21% | 0.21 | S | C | * | . | trans | -63.1 | 148.9 | 179.7 | -63 | -176.7 | 171 | 0 | 0 | 113 | N786 W787 | E784-N786 PolarHBondContact O-N 2.91Å; E784-N786 VanDerWaalsContact O-N 3.07Å; E784-W787 PolarHBondContact O-N 2.92Å; E784-W787 VanDerWaalsContact O-N 3.08Å | ||
| 785 | Q | 75.2 | Confident | 81 | Confident | 107 Ų | 107 | 42.6 Ų | 42.6 | 50% | 0.5 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -55.1 | -29.5 | 179.8 | -67 | 175.4 | -8.1 | 0 | 0 | 113.6 | W787 F788 H789 E904 A908 | Q785-W787 PolarHBondContact O-N 2.79Å; Q785-F788 PolarHBondContact O-N 2.8Å; Q785-H789 PolarHBondContact O-N 3.11Å; Q785-E904 PolarHBondContact NE2-OE2 3.16Å; Q785-A908 HydrophobicContact CB-CB 4.34Å; Q785-A908 WeakPolarHBondContact O-CB 3.46Å |
| 786 | N | 78.1 | Confident | 80.9 | Confident | 101 Ų | 101 | 42.1 Ų | 42.1 | 54% | 0.54 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.9 | -31.5 | 178.9 | -70.7 | -24.2 | 0 | 0 | 0 | 112.9 | E784 H789 L790 | E784-N786 PolarHBondContact O-N 2.91Å; E784-N786 VanDerWaalsContact O-N 3.07Å; N786-H789 WeakPolarHBondContact O-CB 3.24Å; N786-H789 PolarHBondContact O-N 3.1Å; N786-L790 WeakPolarHBondContact O-CB 3.31Å; N786-L790 VanDerWaalsContact O-CD1 3.25Å; N786-L790 WeakPolarHBondContact O-CD1 3.5Å; N786-L790 VanDerWaalsContact O-CG 3.24Å; N786-L790 WeakPolarHBondContact O-CG 3.17Å; N786-L790 PolarHBondContact O-N 3.47Å |
| 787 | W | 82.4 | Confident | 80.6 | Confident | 74 Ų | 74 | 42 Ų | 42 | 28% | 0.28 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.3 | -43.4 | 178.5 | -74.6 | 79.9 | 0 | 0 | 0 | 111.8 | V712 L716 L758 M765 V783 E784 Q785 H789 L790 I791 | V712-W787 HydrophobicContact CG1-CH2 3.77Å; V712-W787 HydrophobicContact CG1-CZ3 3.45Å; V712-W787 VanDerWaalsContact CG1-CZ3 3.45Å; L716-W787 HydrophobicContact CD1-CD2 4.15Å; L716-W787 HydrophobicContact CD1-CE3 3.8Å; L716-W787 HydrophobicContact CD1-CH2 3.21Å; L716-W787 HydrophobicContact CD1-CZ2 3.58Å; L716-W787 HydrophobicContact CD1-CZ3 3.35Å; L716-W787 HydrophobicContact CD2-CE3 4.46Å; L758-W787 HydrophobicContact CD2-CE3 4.48Å; L758-W787 HydrophobicContact CD2-CZ3 4.31Å; M765-W787 HydrophobicContact CE-CB 3.6Å; M765-W787 HydrophobicContact SD-CB 4.18Å; M765-W787 HydrophobicContact SD-CE3 4.44Å; V783-W787 HydrophobicContact CG1-CB 3.66Å; V783-W787 HydrophobicContact CG1-CD2 4.05Å; V783-W787 HydrophobicContact CG1-CG 3.45Å; V783-W787 VanDerWaalsContact CG1-CG 3.45Å; E784-W787 PolarHBondContact O-N 2.92Å; E784-W787 VanDerWaalsContact O-N 3.08Å; Q785-W787 PolarHBondContact O-N 2.79Å; W787-H789 VanDerWaalsContact C-N 3.31Å; W787-H789 PolarHBondContact O-N 3.11Å; W787-L790 PolarHBondContact O-N 3.42Å; W787-I791 WeakPolarHBondContact O-CG1 3.37Å; W787-I791 PolarHBondContact O-N 3.26Å |
| 788 | F | 85.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 174.8 | -68.3 | -76.4 | 0 | 0 | 0 | 111.5 | M765 F766 F777 C781 Q785 L790 I791 G792 Q905 A908 F909 | M765-F788 HydrophobicContact CB-CE1 4.05Å; M765-F788 HydrophobicContact CB-CZ 4.04Å; M765-F788 HydrophobicContact CE-CD1 3.7Å; M765-F788 HydrophobicContact CE-CD2 4.11Å; M765-F788 HydrophobicContact CE-CE1 3.68Å; M765-F788 HydrophobicContact CE-CE2 4.1Å; M765-F788 HydrophobicContact CE-CG 3.92Å; M765-F788 HydrophobicContact CE-CZ 3.89Å; M765-F788 HydrophobicContact CG-CZ 4.35Å; F766-F788 HydrophobicContact CE1-CE1 4.37Å; F766-F788 HydrophobicContact CZ-CD1 4.49Å; F766-F788 HydrophobicContact CZ-CE1 4.35Å; F777-F788 AromaticContact CD1-CD1 3.94Å; F777-F788 HydrophobicContact CD1-CD1 3.94Å; F777-F788 AromaticContact CD1-CE1 3.81Å; F777-F788 HydrophobicContact CD1-CE1 3.81Å; F777-F788 AromaticContact CE1-CD1 3.95Å; F777-F788 HydrophobicContact CE1-CD1 3.95Å; F777-F788 HydrophobicContact CE1-CE1 4.27Å; C781-F788 HydrophobicContact CB-CZ 4.4Å; Q785-F788 PolarHBondContact O-N 2.8Å; F788-L790 VanDerWaalsContact C-N 3.33Å; F788-L790 PolarHBondContact O-N 3.27Å; F788-I791 PolarHBondContact O-N 3.07Å; F788-G792 PolarHBondContact O-N 3.23Å; F788-Q905 HydrophobicContact CD1-CB 4.17Å; F788-Q905 HydrophobicContact CD2-CB 4.15Å; F788-Q905 HydrophobicContact CD2-CG 4.25Å; F788-Q905 HydrophobicContact CE1-CB 4.09Å; F788-Q905 HydrophobicContact CE1-CG 4.4Å; F788-Q905 HydrophobicContact CE2-CB 4.06Å; F788-Q905 HydrophobicContact CE2-CG 3.76Å; F788-Q905 HydrophobicContact CG-CB 4.19Å; F788-Q905 HydrophobicContact CZ-CB 4.02Å; F788-Q905 HydrophobicContact CZ-CG 3.84Å; F788-A908 HydrophobicContact CB-CB 3.97Å; F788-F909 HydrophobicContact CB-CB 4.36Å; F788-F909 WeakPolarHBondContact O-CA 3.29Å |
| 789 | H | 85.8 | Confident | 80.3 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 173.8 | -171.9 | 71.5 | 0 | 0 | 0 | 112.3 | Q785 N786 W787 G792 I793 A908 G912 | Q785-H789 PolarHBondContact O-N 3.11Å; N786-H789 WeakPolarHBondContact O-CB 3.24Å; N786-H789 PolarHBondContact O-N 3.1Å; W787-H789 VanDerWaalsContact C-N 3.31Å; W787-H789 PolarHBondContact O-N 3.11Å; H789-G792 WeakPolarHBondContact O-CA 3.43Å; H789-G792 PolarHBondContact O-N 2.96Å; H789-I793 WeakPolarHBondContact O-CG1 3.44Å; H789-I793 PolarHBondContact O-N 2.87Å; H789-A908 VanDerWaalsContact CA-O 3.28Å; H789-A908 WeakPolarHBondContact CA-O 3.35Å; H789-A908 HydrophobicContact CB-CB 4.46Å; H789-A908 PolarHBondContact ND1-O 3.49Å; H789-G912 WeakPolarHBondContact CE1-CA 3.46Å; H789-G912 PolarHBondContact CE1-N 2.82Å; H789-G912 VanDerWaalsContact ND1-CA 3.35Å; H789-G912 WeakPolarHBondContact ND1-CA 3.45Å; H789-G912 PolarHBondContact ND1-N 3.08Å; H789-G912 VanDerWaalsContact ND1-N 3.2Å; H789-G912 WeakPolarHBondContact O-CA 3.32Å |
| 790 | L | 82.8 | Confident | 80.8 | Confident | 13 Ų | 13 | 40.9 Ų | 40.9 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.4 | -39.3 | -179.3 | -72 | 156.5 | 0 | 0 | 0 | 112.1 | L716 L719 T720 N786 W787 F788 G792 I793 V794 | L716-L790 HydrophobicContact CB-CD1 4.28Å; L716-L790 HydrophobicContact CD2-CB 3.47Å; L716-L790 VanDerWaalsContact CD2-CB 3.47Å; L716-L790 HydrophobicContact CD2-CD1 3.24Å; L716-L790 HydrophobicContact CD2-CD2 4.25Å; L716-L790 HydrophobicContact CD2-CG 3.78Å; L716-L790 HydrophobicContact CG-CD1 4.29Å; L719-L790 HydrophobicContact CB-CD2 3.77Å; L719-L790 HydrophobicContact CD1-CD2 4.24Å; T720-L790 HydrophobicContact CG2-CD1 4.35Å; T720-L790 HydrophobicContact CG2-CD2 4.42Å; N786-L790 WeakPolarHBondContact O-CB 3.31Å; N786-L790 VanDerWaalsContact O-CD1 3.25Å; N786-L790 WeakPolarHBondContact O-CD1 3.5Å; N786-L790 VanDerWaalsContact O-CG 3.24Å; N786-L790 WeakPolarHBondContact O-CG 3.17Å; N786-L790 PolarHBondContact O-N 3.47Å; W787-L790 PolarHBondContact O-N 3.42Å; F788-L790 VanDerWaalsContact C-N 3.33Å; F788-L790 PolarHBondContact O-N 3.27Å; L790-G792 VanDerWaalsContact C-N 3.27Å; L790-G792 PolarHBondContact O-N 3.29Å; L790-I793 HydrophobicContact CD2-CD1 4.38Å; L790-I793 WeakPolarHBondContact O-CB 3.47Å; L790-I793 PolarHBondContact O-N 2.83Å; L790-I793 VanDerWaalsContact O-N 3.17Å; L790-V794 WeakPolarHBondContact O-CG2 3.49Å; L790-V794 PolarHBondContact O-N 3.17Å |
| 791 | I | 85.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 171.3 | -63.1 | 174.4 | 0 | 0 | 0 | 110.2 | L758 M765 F766 W787 F788 I793 V794 C795 F909 | L758-I791 HydrophobicContact CD1-CG1 4.19Å; L758-I791 HydrophobicContact CD2-CG1 4.48Å; M765-I791 HydrophobicContact CE-CD1 3.33Å; M765-I791 HydrophobicContact CE-CG1 4.43Å; M765-I791 HydrophobicContact SD-CD1 3.91Å; F766-I791 HydrophobicContact CE2-CD1 3.83Å; F766-I791 HydrophobicContact CZ-CD1 4.01Å; W787-I791 WeakPolarHBondContact O-CG1 3.37Å; W787-I791 PolarHBondContact O-N 3.26Å; F788-I791 PolarHBondContact O-N 3.07Å; I791-I793 VanDerWaalsContact C-N 3.34Å; I791-I793 PolarHBondContact O-N 3.46Å; I791-V794 PolarHBondContact O-N 3.31Å; I791-C795 WeakPolarHBondContact O-CB 3.32Å; I791-C795 PolarHBondContact O-N 2.98Å; I791-C795 PolarHBondContact O-SG 3.36Å; I791-C795 VanDerWaalsContact O-SG 3.38Å; I791-F909 HydrophobicContact CB-CD2 4.42Å; I791-F909 HydrophobicContact CG2-CD2 4.21Å; I791-F909 HydrophobicContact CG2-CE2 3.95Å |
| 792 | G | 86.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.1 | -48.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F788 H789 L790 C795 G796 F909 G912 F913 | F788-G792 PolarHBondContact O-N 3.23Å; H789-G792 WeakPolarHBondContact O-CA 3.43Å; H789-G792 PolarHBondContact O-N 2.96Å; L790-G792 VanDerWaalsContact C-N 3.27Å; L790-G792 PolarHBondContact O-N 3.29Å; G792-C795 PolarHBondContact O-N 3.32Å; G792-G796 PolarHBondContact O-N 3.5Å; G792-F909 WeakPolarHBondContact CA-O 3.3Å; G792-G912 VanDerWaalsContact C-C 3.49Å; G792-F913 VanDerWaalsContact O-CA 3.26Å; G792-F913 WeakPolarHBondContact O-CA 3.33Å |
| 793 | I | 87.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.9 | -68.2 | 171.3 | 0 | 0 | 0 | 111.1 | L719 L727 H789 L790 I791 G796 L797 G912 K915 V916 | L719-I793 HydrophobicContact CD1-CG2 4.22Å; L719-I793 HydrophobicContact CD2-CG2 4.27Å; L727-I793 HydrophobicContact CD1-CD1 4.38Å; L727-I793 HydrophobicContact CD1-CG2 4.37Å; L727-I793 HydrophobicContact CD2-CG2 4.3Å; H789-I793 WeakPolarHBondContact O-CG1 3.44Å; H789-I793 PolarHBondContact O-N 2.87Å; L790-I793 HydrophobicContact CD2-CD1 4.38Å; L790-I793 WeakPolarHBondContact O-CB 3.47Å; L790-I793 PolarHBondContact O-N 2.83Å; L790-I793 VanDerWaalsContact O-N 3.17Å; I791-I793 VanDerWaalsContact C-N 3.34Å; I791-I793 PolarHBondContact O-N 3.46Å; I793-G796 PolarHBondContact O-N 3.27Å; I793-L797 HydrophobicContact CG2-CD1 3.87Å; I793-L797 HydrophobicContact CG2-CG 4.29Å; I793-L797 WeakPolarHBondContact O-CB 3.43Å; I793-L797 WeakPolarHBondContact O-CG 3.36Å; I793-L797 PolarHBondContact O-N 2.95Å; I793-G912 WeakPolarHBondContact CG1-O 3.27Å; I793-K915 HydrophobicContact CD1-CD 4.29Å; I793-V916 HydrophobicContact CB-CG2 4.47Å; I793-V916 HydrophobicContact CG2-CG2 3.93Å |
| 794 | V | 86.4 | Confident | 81.9 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 179.7 | 172.5 | 0 | 0 | 0 | 0 | 111 | L719 F751 L754 L755 L790 I791 G796 L797 A798 | L719-V794 HydrophobicContact CD1-CG2 3.99Å; F751-V794 HydrophobicContact CD1-CG1 4.01Å; F751-V794 HydrophobicContact CE1-CG1 4.13Å; L754-V794 HydrophobicContact CD2-CG1 3.75Å; L754-V794 HydrophobicContact CD2-CG2 3.87Å; L755-V794 HydrophobicContact CD1-CG1 4.28Å; L755-V794 HydrophobicContact CD2-CG1 3.99Å; L755-V794 HydrophobicContact CG-CG1 4.05Å; L790-V794 WeakPolarHBondContact O-CG2 3.49Å; L790-V794 PolarHBondContact O-N 3.17Å; I791-V794 PolarHBondContact O-N 3.31Å; V794-G796 VanDerWaalsContact C-N 3.32Å; V794-G796 PolarHBondContact O-N 3.09Å; V794-L797 PolarHBondContact O-N 2.93Å; V794-A798 PolarHBondContact O-N 3.21Å |
| 795 | C | 85.3 | Confident | 81.9 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 174.9 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | I791 G792 A798 I799 F913 | I791-C795 WeakPolarHBondContact O-CB 3.32Å; I791-C795 PolarHBondContact O-N 2.98Å; I791-C795 PolarHBondContact O-SG 3.36Å; I791-C795 VanDerWaalsContact O-SG 3.38Å; G792-C795 PolarHBondContact O-N 3.32Å; C795-A798 PolarHBondContact O-N 3.18Å; C795-I799 WeakPolarHBondContact O-CG1 3.33Å; C795-I799 PolarHBondContact O-N 3.1Å; C795-F913 HydrophobicContact CB-CD2 4.03Å; C795-F913 HydrophobicContact CB-CE2 4.32Å |
| 796 | G | 84.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G792 I793 V794 A798 I799 Y800 C917 | G792-G796 PolarHBondContact O-N 3.5Å; I793-G796 PolarHBondContact O-N 3.27Å; V794-G796 VanDerWaalsContact C-N 3.32Å; V794-G796 PolarHBondContact O-N 3.09Å; G796-A798 VanDerWaalsContact C-N 3.32Å; G796-A798 PolarHBondContact O-N 3.42Å; G796-I799 PolarHBondContact O-N 3.3Å; G796-Y800 VanDerWaalsContact O-CB 3.27Å; G796-Y800 WeakPolarHBondContact O-CB 3.38Å; G796-Y800 PolarHBondContact O-N 3.3Å; G796-C917 PolarHBondContact O-SG 3.48Å |
| 797 | L | 85.3 | Confident | 81.7 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.5 | -38 | 177.6 | -75.7 | 170.1 | 0 | 0 | 0 | 112.2 | L702 L719 L727 F751 I793 V794 Y800 N801 V916 | L702-L797 HydrophobicContact CD2-CD2 4.15Å; L719-L797 HydrophobicContact CD2-CD1 4.04Å; L727-L797 WeakPolarHBondContact O-CD2 3.37Å; F751-L797 HydrophobicContact CE1-CB 4.03Å; F751-L797 HydrophobicContact CZ-CB 3.86Å; I793-L797 HydrophobicContact CG2-CD1 3.87Å; I793-L797 HydrophobicContact CG2-CG 4.29Å; I793-L797 WeakPolarHBondContact O-CB 3.43Å; I793-L797 WeakPolarHBondContact O-CG 3.36Å; I793-L797 PolarHBondContact O-N 2.95Å; V794-L797 PolarHBondContact O-N 2.93Å; L797-Y800 PolarHBondContact O-N 3.18Å; L797-N801 WeakPolarHBondContact O-CB 3.29Å; L797-N801 PolarHBondContact O-N 3.34Å; L797-N801 PolarHBondContact O-ND2 3.2Å; L797-V916 HydrophobicContact CD2-CG1 3.76Å; L797-V916 HydrophobicContact CD2-CG2 4.43Å; L797-V916 HydrophobicContact CG-CG1 4.03Å; L797-V916 HydrophobicContact CG-CG2 4.22Å |
| 798 | A | 83.6 | Confident | 81.7 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 3% | 0.025 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F751 V794 C795 G796 N801 S802 T803 V805 | F751-A798 HydrophobicContact CD1-CB 3.99Å; F751-A798 HydrophobicContact CE1-CB 4.09Å; F751-A798 HydrophobicContact CG-CB 4.24Å; F751-A798 HydrophobicContact CZ-CB 4.4Å; V794-A798 PolarHBondContact O-N 3.21Å; C795-A798 PolarHBondContact O-N 3.18Å; G796-A798 VanDerWaalsContact C-N 3.32Å; G796-A798 PolarHBondContact O-N 3.42Å; A798-N801 CarbonylContact O-C 3.59Å; A798-N801 PolarHBondContact O-N 2.97Å; A798-S802 PolarHBondContact O-N 3.31Å; A798-T803 WeakPolarHBondContact O-CB 3.24Å; A798-T803 PolarHBondContact O-N 3.26Å; A798-V805 HydrophobicContact CB-CG2 3.93Å |
| 799 | I | 82 | Confident | 81.7 | Confident | 16 Ų | 16 | 19 Ų | 19 | 8% | 0.082 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 178.2 | -63.4 | 169 | 0 | 0 | 0 | 111.3 | L666 C795 G796 N801 S802 F913 M933 V934 | L666-I799 HydrophobicContact CD2-CG2 3.73Å; C795-I799 WeakPolarHBondContact O-CG1 3.33Å; C795-I799 PolarHBondContact O-N 3.1Å; G796-I799 PolarHBondContact O-N 3.3Å; I799-N801 PolarHBondContact O-N 2.76Å; I799-S802 PolarHBondContact O-N 3.43Å; I799-F913 HydrophobicContact CD1-CE2 3.43Å; I799-F913 VanDerWaalsContact CD1-CE2 3.43Å; I799-F913 HydrophobicContact CD1-CZ 3.47Å; I799-F913 VanDerWaalsContact CD1-CZ 3.47Å; I799-M933 HydrophobicContact CD1-CE 4.39Å; I799-M933 HydrophobicContact CG1-CE 4.49Å; I799-M933 HydrophobicContact CG2-CE 3.55Å; I799-M933 HydrophobicContact CG2-SD 4.49Å; I799-V934 HydrophobicContact CD1-CG1 4.38Å; I799-V934 HydrophobicContact CD1-CG2 3.36Å; I799-V934 HydrophobicContact CG1-CG1 4.39Å; I799-V934 HydrophobicContact CG1-CG2 3.78Å |
| 800 | Y | 82.3 | Confident | 81.9 | Confident | 11 Ų | 11 | 16.7 Ų | 16.7 | 4% | 0.043 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.7 | -29 | -178.9 | -166.3 | -106.7 | 0 | 0 | 0 | 112.4 | A670 Q673 M674 K728 G796 L797 V916 | A670-Y800 HydrophobicContact CB-CD2 3.58Å; A670-Y800 HydrophobicContact CB-CE2 3.58Å; A670-Y800 HydrophobicContact CB-CG 4.16Å; A670-Y800 PolarHBondContact O-OH 2.84Å; Q673-Y800 HydrophobicContact CB-CE2 4.4Å; Q673-Y800 WeakPolarHBondContact CB-OH 3.41Å; M674-Y800 HydrophobicContact CE-CD1 3.27Å; M674-Y800 HydrophobicContact CE-CE1 3.25Å; M674-Y800 HydrophobicContact CE-CG 4.2Å; M674-Y800 WeakPolarHBondContact CE-O 3.45Å; M674-Y800 HydrophobicContact CG-CD1 4.47Å; M674-Y800 HydrophobicContact CG-CE1 3.47Å; M674-Y800 VanDerWaalsContact CG-CE1 3.47Å; M674-Y800 PolarHBondContact N-OH 3.01Å; M674-Y800 HydrophobicContact SD-CE1 4.2Å; K728-Y800 WeakPolarHBondContact O-CE1 3.45Å; K728-Y800 PolarHBondContact O-OH 3.46Å; G796-Y800 VanDerWaalsContact O-CB 3.27Å; G796-Y800 WeakPolarHBondContact O-CB 3.38Å; G796-Y800 PolarHBondContact O-N 3.3Å; L797-Y800 PolarHBondContact O-N 3.18Å; Y800-V916 HydrophobicContact CD1-CG1 4.44Å; Y800-V916 HydrophobicContact CG-CG1 4.12Å |
| 801 | N | 79.9 | Confident | 82.1 | Confident | 39 Ų | 39 | 17.7 Ų | 17.7 | 21% | 0.209 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 16.6 | 173.9 | -68.2 | -84.8 | 0 | 0 | 0 | 113.4 | L797 A798 I799 T803 | L797-N801 WeakPolarHBondContact O-CB 3.29Å; L797-N801 PolarHBondContact O-N 3.34Å; L797-N801 PolarHBondContact O-ND2 3.2Å; A798-N801 CarbonylContact O-C 3.59Å; A798-N801 PolarHBondContact O-N 2.97Å; I799-N801 PolarHBondContact O-N 2.76Å; N801-T803 PolarHBondContact O-N 2.91Å |
| 802 | S | 77.2 | Confident | 82.3 | Confident | 66 Ų | 66 | 17.7 Ų | 17.7 | 46% | 0.462 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.6 | 179 | -59 | 0 | 0 | 0 | 0 | 115.1 | Q667 A798 I799 | Q667-S802 WeakPolarHBondContact CG-OG 3.45Å; Q667-S802 PolarHBondContact NE2-OG 3.42Å; A798-S802 PolarHBondContact O-N 3.31Å; I799-S802 PolarHBondContact O-N 3.43Å |
| 803 | T | 76 | Confident | 82.5 | Confident | 20 Ų | 20 | 17.8 Ų | 17.8 | 12% | 0.123 | 10% | 0.1 | C | C | . | . | trans | -93.4 | 119 | 176.7 | -53 | 0 | 0 | 0 | 0 | 109.8 | K748 F751 A798 N801 V805 | K748-T803 HydrophobicContact CB-CG2 4.46Å; K748-T803 HydrophobicContact CG-CG2 4.16Å; F751-T803 HydrophobicContact CB-CG2 4.43Å; F751-T803 HydrophobicContact CD2-CG2 4.14Å; A798-T803 WeakPolarHBondContact O-CB 3.24Å; A798-T803 PolarHBondContact O-N 3.26Å; N801-T803 PolarHBondContact O-N 2.91Å; T803-V805 HydrophobicContact CG2-CG2 4.1Å | ||
| 804 | V | 73.6 | Confident | 82.6 | Confident | 38 Ų | 38 | 17.8 Ų | 17.8 | 23% | 0.23 | 10% | 0.099 | C | C | . | . | trans | -73.9 | 128.5 | 172.5 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | V935 P991 | V804-V935 WeakPolarHBondContact CG1-O 3.11Å; V804-P991 HydrophobicContact CG2-CB 4.12Å; V804-P991 HydrophobicContact CG2-CG 4.25Å | ||
| 805 | V | 73.4 | Confident | 82.7 | Confident | 8 Ų | 8 | 19.1 Ų | 19.1 | 5% | 0.048 | 11% | 0.105 | C | C | . | . | trans | -133.3 | 136.8 | 178.3 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | F751 L755 A798 T803 L807 V934 | F751-V805 HydrophobicContact CB-CG2 4.33Å; L755-V805 HydrophobicContact CB-CG1 4.24Å; L755-V805 HydrophobicContact CD1-CB 4.09Å; L755-V805 HydrophobicContact CD1-CG1 3.51Å; L755-V805 HydrophobicContact CD1-CG2 4.03Å; L755-V805 HydrophobicContact CG-CG1 4.49Å; A798-V805 HydrophobicContact CB-CG2 3.93Å; T803-V805 HydrophobicContact CG2-CG2 4.1Å; V805-L807 PolarHBondContact O-N 3.28Å; V805-V934 PolarHBondContact N-O 3.26Å | ||
| 806 | D | 72.2 | Confident | 82.9 | Confident | 42 Ų | 42 | 20.3 Ų | 20.3 | 23% | 0.225 | 11% | 0.11 | C | C | . | . | trans | -78.4 | 85.6 | -179.7 | -169.9 | 21.7 | 0 | 0 | 0 | 111.9 | H808 | D806-H808 PolarHBondContact O-ND1 3.02Å; D806-H808 IonicContact OD1-CE1 3.87Å; D806-H808 IonicContact OD2-CE1 2.72Å; D806-H808 PolarHBondContact OD2-CE1 3.46Å; D806-H808 IonicContact OD2-ND1 2.88Å; D806-H808 IonicContact OD2-NE2 3.97Å | ||
| 807 | L | 78 | Confident | 83 | Confident | 10 Ų | 10 | 21.2 Ų | 21.2 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | trans | -86.6 | 114.3 | 174.2 | -65.4 | -175.1 | 0 | 0 | 0 | 110.1 | L755 L759 V805 F809 V934 V935 | L755-L807 HydrophobicContact CD1-CD2 4.44Å; L755-L807 HydrophobicContact CD2-CD2 4.37Å; L759-L807 HydrophobicContact CD1-CD2 3.82Å; V805-L807 PolarHBondContact O-N 3.28Å; L807-F809 HydrophobicContact CB-CD2 4.06Å; L807-F809 PolarHBondContact O-N 3.45Å; L807-V934 HydrophobicContact CD1-CG1 3.52Å; L807-V934 HydrophobicContact CG-CG1 4.13Å; L807-V935 HydrophobicContact CB-CG2 4.39Å | ||
| 808 | H | 80.9 | Confident | 83.1 | Confident | 68 Ų | 68 | 22.6 Ų | 22.6 | 32% | 0.315 | 12% | 0.122 | S | C | . | . | trans | -78.2 | 37.6 | -179.7 | -67.7 | 71.9 | 0 | 0 | 0 | 113 | L774 L775 D806 | L774-H808 CarbonylContact C-O 3.58Å; L774-H808 WeakPolarHBondContact CA-O 3.39Å; L774-H808 WeakPolarHBondContact CD2-O 3.35Å; L775-H808 HydrophobicContact CD1-CB 4.17Å; L775-H808 HydrophobicContact CG-CB 4.17Å; L775-H808 PolarHBondContact N-O 2.92Å; D806-H808 PolarHBondContact O-ND1 3.02Å; D806-H808 IonicContact OD1-CE1 3.87Å; D806-H808 IonicContact OD2-CE1 2.72Å; D806-H808 PolarHBondContact OD2-CE1 3.46Å; D806-H808 IonicContact OD2-ND1 2.88Å; D806-H808 IonicContact OD2-NE2 3.97Å | ||
| 809 | F | 87.1 | Confident | 83.2 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | trans | -97.9 | 147.4 | 178.9 | -70.8 | -67.2 | 0 | 0 | 0 | 111.7 | L759 F766 L775 L807 L813 | L759-F809 HydrophobicContact CD2-CE2 3.92Å; L759-F809 HydrophobicContact CD2-CZ 3.79Å; F766-F809 AromaticContact CD1-CE1 3.63Å; F766-F809 HydrophobicContact CD1-CE1 3.63Å; F766-F809 AromaticContact CD1-CZ 3.8Å; F766-F809 HydrophobicContact CD1-CZ 3.8Å; F766-F809 AromaticContact CE1-CE1 3.64Å; F766-F809 HydrophobicContact CE1-CE1 3.64Å; F766-F809 AromaticContact CE1-CZ 3.45Å; F766-F809 HydrophobicContact CE1-CZ 3.45Å; F766-F809 VanDerWaalsContact CE1-CZ 3.45Å; F766-F809 HydrophobicContact CE2-CZ 4.44Å; F766-F809 HydrophobicContact CG-CE1 4.42Å; F766-F809 HydrophobicContact CG-CZ 4.41Å; F766-F809 HydrophobicContact CZ-CE1 4.44Å; F766-F809 AromaticContact CZ-CZ 3.82Å; F766-F809 HydrophobicContact CZ-CZ 3.82Å; L775-F809 HydrophobicContact CB-CD1 4.31Å; L775-F809 HydrophobicContact CB-CE1 4.08Å; L775-F809 WeakPolarHBondContact O-CD1 3.32Å; L807-F809 HydrophobicContact CB-CD2 4.06Å; L807-F809 PolarHBondContact O-N 3.45Å; F809-L813 HydrophobicContact CB-CB 4.15Å; F809-L813 HydrophobicContact CB-CD2 3.58Å; F809-L813 HydrophobicContact CD1-CD2 4.12Å; F809-L813 HydrophobicContact CD2-CD2 3.56Å; F809-L813 HydrophobicContact CE2-CD2 4.3Å; F809-L813 HydrophobicContact CG-CD2 3.49Å; F809-L813 VanDerWaalsContact CG-CD2 3.49Å | ||
| 810 | P | 89.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -69.2 | 164.8 | 175.5 | 30.5 | -37.5 | 0 | 0 | 0 | 112.5 | L774 L775 W776 A812 L813 L830 | L774-P810 HydrophobicContact CD1-CB 4.08Å; L775-P810 WeakPolarHBondContact O-CD 3.36Å; W776-P810 HydrophobicContact CE3-CG 3.64Å; W776-P810 HydrophobicContact CZ3-CG 3.84Å; P810-A812 HydrophobicContact CB-CB 4.41Å; P810-A812 HydrophobicContact CG-CB 4.19Å; P810-A812 PolarHBondContact O-N 3.34Å; P810-L813 PolarHBondContact O-N 3.12Å; P810-L830 HydrophobicContact CG-CD1 4.26Å | ||
| 811 | L | 88.1 | Confident | 83.5 | Confident | 35 Ų | 35 | 36.8 Ų | 36.8 | 18% | 0.183 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.3 | -27.7 | 174.3 | -174.3 | 64 | 0 | 0 | 0 | 112.8 | L813 Y814 K815 E829 P927 M931 | L811-L813 PolarHBondContact O-N 3.2Å; L811-Y814 PolarHBondContact O-N 2.65Å; L811-Y814 VanDerWaalsContact O-N 3.16Å; L811-K815 PolarHBondContact O-N 2.92Å; L811-E829 VanDerWaalsContact CB-OE2 3.27Å; L811-E829 WeakPolarHBondContact CB-OE2 3.35Å; L811-E829 PolarHBondContact N-OE2 3.07Å; L811-P927 HydrophobicContact CD1-CB 3.97Å; L811-P927 HydrophobicContact CG-CB 4.48Å; L811-M931 HydrophobicContact CB-SD 4.34Å; L811-M931 HydrophobicContact CD1-CB 4.29Å; L811-M931 HydrophobicContact CD1-SD 4.01Å |
| 812 | A | 89.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.5 | -35.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | W776 P810 K815 K816 P822 D826 F898 | W776-A812 HydrophobicContact CH2-CB 4.39Å; W776-A812 HydrophobicContact CZ3-CB 4.36Å; P810-A812 HydrophobicContact CB-CB 4.41Å; P810-A812 HydrophobicContact CG-CB 4.19Å; P810-A812 PolarHBondContact O-N 3.34Å; A812-K815 PolarHBondContact O-N 3.35Å; A812-K816 WeakPolarHBondContact O-CG 3.49Å; A812-K816 PolarHBondContact O-N 2.97Å; A812-P822 HydrophobicContact CB-CB 4.37Å; A812-P822 HydrophobicContact CB-CG 4.42Å; A812-D826 HydrophobicContact CB-CB 4.14Å; A812-F898 HydrophobicContact CB-CD1 3.79Å; A812-F898 HydrophobicContact CB-CE1 3.35Å; A812-F898 HydrophobicContact CB-CZ 3.9Å |
| 813 | L | 90 | Very high | 84.4 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -49.2 | 178.4 | 179.1 | 64.2 | 0 | 0 | 0 | 111 | W776 F777 F809 P810 L811 K815 K816 L817 Y906 F909 | W776-L813 HydrophobicContact CZ3-CB 4.16Å; F777-L813 HydrophobicContact CE2-CD1 3.78Å; F777-L813 HydrophobicContact CZ-CD1 4.1Å; F809-L813 HydrophobicContact CB-CB 4.15Å; F809-L813 HydrophobicContact CB-CD2 3.58Å; F809-L813 HydrophobicContact CD1-CD2 4.12Å; F809-L813 HydrophobicContact CD2-CD2 3.56Å; F809-L813 HydrophobicContact CE2-CD2 4.3Å; F809-L813 HydrophobicContact CG-CD2 3.49Å; F809-L813 VanDerWaalsContact CG-CD2 3.49Å; P810-L813 PolarHBondContact O-N 3.12Å; L811-L813 PolarHBondContact O-N 3.2Å; L813-K815 VanDerWaalsContact C-N 3.31Å; L813-K815 PolarHBondContact O-N 2.83Å; L813-K816 PolarHBondContact O-N 3.05Å; L813-L817 HydrophobicContact CG-CD1 4.39Å; L813-L817 WeakPolarHBondContact O-CG 3.28Å; L813-L817 PolarHBondContact O-N 3.23Å; L813-Y906 HydrophobicContact CD1-CD2 4.34Å; L813-Y906 HydrophobicContact CD1-CE2 4.09Å; L813-F909 HydrophobicContact CD1-CD1 4.34Å; L813-F909 HydrophobicContact CD1-CE1 3.88Å; L813-F909 HydrophobicContact CD2-CE1 4.3Å; L813-F909 HydrophobicContact CD2-CZ 4.33Å; L813-F909 HydrophobicContact CG-CE1 4.47Å |
| 814 | Y | 89.3 | Confident | 84.9 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.2 | -32.8 | -178.7 | -58 | -80.8 | 0 | 0 | 0 | 111.9 | L811 L817 L818 L930 M931 V934 V935 | L811-Y814 PolarHBondContact O-N 2.65Å; L811-Y814 VanDerWaalsContact O-N 3.16Å; Y814-L817 PolarHBondContact O-N 3.21Å; Y814-L818 WeakPolarHBondContact O-CG 3.01Å; Y814-L818 PolarHBondContact O-N 2.88Å; Y814-L930 HydrophobicContact CD1-CB 4.38Å; Y814-L930 HydrophobicContact CD1-CD2 3.9Å; Y814-L930 HydrophobicContact CD1-CG 3.9Å; Y814-M931 HydrophobicContact CD1-CB 4.33Å; Y814-M931 HydrophobicContact CD2-CB 3.6Å; Y814-M931 HydrophobicContact CD2-CG 3.82Å; Y814-M931 HydrophobicContact CD2-SD 4.2Å; Y814-M931 HydrophobicContact CE1-CB 4.39Å; Y814-M931 HydrophobicContact CE2-CB 3.69Å; Y814-M931 HydrophobicContact CE2-CG 3.47Å; Y814-M931 VanDerWaalsContact CE2-CG 3.47Å; Y814-M931 HydrophobicContact CE2-SD 4.09Å; Y814-M931 HydrophobicContact CG-CB 3.93Å; Y814-V934 HydrophobicContact CE1-CB 4.11Å; Y814-V934 HydrophobicContact CE1-CG2 3.93Å; Y814-V935 WeakPolarHBondContact OH-CG2 3.18Å |
| 815 | K | 89.7 | Confident | 85.5 | Confident | 33 Ų | 33 | 38.9 Ų | 38.9 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 169.6 | -78.9 | -179.6 | 172.3 | 175 | 0 | 111.2 | L811 A812 L813 L817 L818 D819 V820 D826 P927 | L811-K815 PolarHBondContact O-N 2.92Å; A812-K815 PolarHBondContact O-N 3.35Å; L813-K815 VanDerWaalsContact C-N 3.31Å; L813-K815 PolarHBondContact O-N 2.83Å; K815-L817 VanDerWaalsContact C-N 3.33Å; K815-L817 PolarHBondContact O-N 2.92Å; K815-L818 CarbonylContact O-C 3.45Å; K815-L818 PolarHBondContact O-N 3Å; K815-L818 VanDerWaalsContact O-N 3.15Å; K815-D819 PolarHBondContact O-N 3.22Å; K815-V820 CarbonylContact C-O 3.5Å; K815-V820 VanDerWaalsContact C-O 3.29Å; K815-V820 HydrophobicContact CB-CB 4.2Å; K815-V820 HydrophobicContact CG-CB 4.41Å; K815-V820 HydrophobicContact CG-CG1 4.35Å; K815-V820 PolarHBondContact O-N 3.41Å; K815-D826 WeakPolarHBondContact CD-OD2 3.33Å; K815-D826 WeakPolarHBondContact CE-OD1 3.49Å; K815-D826 IonicContact NZ-OD1 2.8Å; K815-D826 PolarHBondContact NZ-OD1 2.9Å; K815-D826 IonicContact NZ-OD2 3.53Å; K815-D826 PolarHBondContact NZ-OD2 2.97Å; K815-P927 HydrophobicContact CB-CB 4.45Å; K815-P927 HydrophobicContact CB-CG 4.43Å; K815-P927 HydrophobicContact CG-CB 3.54Å; K815-P927 HydrophobicContact CG-CG 3.56Å |
| 816 | K | 89 | Confident | 86.1 | Confident | 29 Ų | 29 | 38.7 Ų | 38.7 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 177.8 | -67.2 | 179.7 | 69.9 | 76.5 | 0 | 112.3 | W776 A812 L813 L818 D819 P822 F898 S899 Y906 | W776-K816 HydrophobicContact CH2-CD 4.03Å; W776-K816 HydrophobicContact CZ2-CD 4.41Å; A812-K816 WeakPolarHBondContact O-CG 3.49Å; A812-K816 PolarHBondContact O-N 2.97Å; L813-K816 PolarHBondContact O-N 3.05Å; K816-L818 PolarHBondContact O-N 3.47Å; K816-D819 PolarHBondContact O-N 3.09Å; K816-D819 VanDerWaalsContact O-N 3.1Å; K816-P822 HydrophobicContact CG-CG 4.04Å; K816-F898 WeakPolarHBondContact CD-O 3.38Å; K816-F898 WeakPolarHBondContact CE-O 3.33Å; K816-F898 PolarHBondContact NZ-O 3.41Å; K816-S899 PolarHBondContact NZ-OG 3.37Å; K816-S899 VanDerWaalsContact NZ-OG 3.13Å; K816-Y906 HydrophobicContact CB-CE1 4.13Å; K816-Y906 HydrophobicContact CB-CE2 3.65Å; K816-Y906 VanDerWaalsContact CB-CZ 3.42Å; K816-Y906 VanDerWaalsContact CB-OH 3.28Å; K816-Y906 WeakPolarHBondContact CB-OH 3.24Å; K816-Y906 HydrophobicContact CD-CD2 4.23Å; K816-Y906 HydrophobicContact CD-CE2 4.12Å; K816-Y906 VanDerWaalsContact CE-CD1 3.46Å; K816-Y906 PolarHBondContact O-OH 2.78Å |
| 817 | L | 87.7 | Confident | 86.9 | Confident | 18 Ų | 18 | 36.7 Ų | 36.7 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -28 | 177.7 | -74.5 | 173.8 | 0 | 0 | 0 | 112.7 | L813 Y814 K815 Y906 F909 F913 | L813-L817 HydrophobicContact CG-CD1 4.39Å; L813-L817 WeakPolarHBondContact O-CG 3.28Å; L813-L817 PolarHBondContact O-N 3.23Å; Y814-L817 PolarHBondContact O-N 3.21Å; K815-L817 VanDerWaalsContact C-N 3.33Å; K815-L817 PolarHBondContact O-N 2.92Å; L817-Y906 WeakPolarHBondContact CA-OH 3.49Å; L817-Y906 PolarHBondContact N-OH 3.37Å; L817-Y906 VanDerWaalsContact N-OH 3.11Å; L817-F909 HydrophobicContact CD1-CE1 4.49Å; L817-F909 HydrophobicContact CD2-CE1 4.25Å; L817-F913 HydrophobicContact CD1-CD1 4.26Å; L817-F913 HydrophobicContact CD1-CE1 4.1Å; L817-F913 HydrophobicContact CD1-CE2 4.43Å; L817-F913 HydrophobicContact CD1-CZ 4.18Å; L817-F913 HydrophobicContact CD2-CB 4.37Å; L817-F913 HydrophobicContact CD2-CD1 3.88Å; L817-F913 HydrophobicContact CD2-CE1 4.43Å; L817-F913 HydrophobicContact CD2-CG 4.16Å |
| 818 | L | 86.9 | Confident | 87.3 | Confident | 32 Ų | 32 | 42.5 Ų | 42.5 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 11.4 | 176.9 | -63.6 | 176.2 | 0 | 0 | 0 | 113.4 | Y814 K815 K816 V820 L922 F925 P927 L930 | Y814-L818 WeakPolarHBondContact O-CG 3.01Å; Y814-L818 PolarHBondContact O-N 2.88Å; K815-L818 CarbonylContact O-C 3.45Å; K815-L818 PolarHBondContact O-N 3Å; K815-L818 VanDerWaalsContact O-N 3.15Å; K816-L818 PolarHBondContact O-N 3.47Å; L818-V820 HydrophobicContact CB-CG2 4.28Å; L818-V820 PolarHBondContact O-N 2.79Å; L818-L922 HydrophobicContact CD2-CB 4.29Å; L818-L922 WeakPolarHBondContact CD2-O 3.46Å; L818-F925 WeakPolarHBondContact CD1-O 3.38Å; L818-P927 HydrophobicContact CD1-CB 4.36Å; L818-P927 HydrophobicContact CD1-CG 4.01Å; L818-L930 HydrophobicContact CD1-CB 4.47Å; L818-L930 HydrophobicContact CD1-CD2 4.16Å; L818-L930 HydrophobicContact CD2-CD2 4.19Å; L818-L930 HydrophobicContact CG-CD2 4.03Å |
| 819 | D | 85.8 | Confident | 87.6 | Confident | 157 Ų | 157 | 42.6 Ų | 42.6 | 84% | 0.84 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 30.6 | -177.6 | -156.3 | 32.5 | 0 | 0 | 0 | 114 | K815 K816 | K815-D819 PolarHBondContact O-N 3.22Å; K816-D819 PolarHBondContact O-N 3.09Å; K816-D819 VanDerWaalsContact O-N 3.1Å |
| 820 | V | 85.9 | Confident | 87.6 | Confident | 66 Ų | 66 | 42.6 Ų | 42.6 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -100.3 | 131.3 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | K815 L818 | K815-V820 CarbonylContact C-O 3.5Å; K815-V820 VanDerWaalsContact C-O 3.29Å; K815-V820 HydrophobicContact CB-CB 4.2Å; K815-V820 HydrophobicContact CG-CB 4.41Å; K815-V820 HydrophobicContact CG-CG1 4.35Å; K815-V820 PolarHBondContact O-N 3.41Å; L818-V820 HydrophobicContact CB-CG2 4.28Å; L818-V820 PolarHBondContact O-N 2.79Å |
| 821 | S | 84.3 | Confident | 87.6 | Confident | 104 Ų | 104 | 42.9 Ų | 42.9 | 73% | 0.727 | 23% | 0.233 | S | C | * | . | P | Polyproline II helix | trans | -68.6 | 130.8 | 179.1 | -46.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 822 | P | 88.3 | Confident | 87.5 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 148.4 | 171.9 | -23.7 | 35.5 | 0 | 0 | 0 | 112.4 | A812 K816 D826 F898 | A812-P822 HydrophobicContact CB-CB 4.37Å; A812-P822 HydrophobicContact CB-CG 4.42Å; K816-P822 HydrophobicContact CG-CG 4.04Å; P822-D826 HydrophobicContact CB-CB 4.49Å; P822-F898 HydrophobicContact CB-CB 4.35Å; P822-F898 HydrophobicContact CB-CD1 4.49Å; P822-F898 HydrophobicContact CB-CD2 3.6Å; P822-F898 HydrophobicContact CB-CE2 3.91Å; P822-F898 HydrophobicContact CB-CG 3.92Å; P822-F898 HydrophobicContact CB-CZ 4.49Å; P822-F898 HydrophobicContact CG-CB 3.96Å; P822-F898 HydrophobicContact CG-CD1 4.48Å; P822-F898 HydrophobicContact CG-CD2 4.16Å; P822-F898 HydrophobicContact CG-CG 3.97Å |
| 823 | S | 87.3 | Confident | 87.4 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | trans | -114.1 | 170.6 | -177.2 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | D825 D826 F827 | S823-D825 PolarHBondContact O-N 3.33Å; S823-D826 PolarHBondContact N-OD2 2.85Å; S823-D826 WeakPolarHBondContact O-CB 3.42Å; S823-D826 PolarHBondContact O-N 2.86Å; S823-D826 PolarHBondContact OG-OD2 2.86Å; S823-F827 PolarHBondContact O-N 3.45Å | ||
| 824 | L | 87 | Confident | 87.3 | Confident | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -31.4 | 176.8 | -174.9 | 62.7 | 0 | 0 | 0 | 112.4 | D826 F827 K828 L838 Q839 L842 V890 L894 | L824-D826 VanDerWaalsContact C-N 3.3Å; L824-D826 PolarHBondContact O-N 2.85Å; L824-F827 PolarHBondContact O-N 2.94Å; L824-K828 PolarHBondContact O-N 2.86Å; L824-L838 HydrophobicContact CD1-CB 4.04Å; L824-L838 HydrophobicContact CD1-CD1 4.23Å; L824-Q839 HydrophobicContact CD2-CB 4.41Å; L824-L842 HydrophobicContact CD2-CD1 3.78Å; L824-V890 HydrophobicContact CD1-CG1 4.2Å; L824-L894 HydrophobicContact CB-CD1 4.2Å; L824-L894 HydrophobicContact CD1-CD1 4.45Å; L824-L894 HydrophobicContact CD1-CD2 4.37Å |
| 825 | D | 85.3 | Confident | 87.2 | Confident | 113 Ų | 113 | 49.9 Ų | 49.9 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.6 | -34.5 | 175.4 | -69.8 | -41.8 | 0 | 0 | 0 | 112.3 | S823 F827 K828 E829 | S823-D825 PolarHBondContact O-N 3.33Å; D825-F827 VanDerWaalsContact C-N 3.33Å; D825-K828 WeakPolarHBondContact O-CB 3.5Å; D825-K828 PolarHBondContact O-N 3.39Å; D825-E829 PolarHBondContact O-N 3.13Å |
| 826 | D | 87.6 | Confident | 87.1 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.9 | -33.6 | 175.8 | -54.4 | -62.9 | 0 | 0 | 0 | 111.3 | A812 K815 P822 S823 L824 K828 E829 L830 F898 | A812-D826 HydrophobicContact CB-CB 4.14Å; K815-D826 WeakPolarHBondContact CD-OD2 3.33Å; K815-D826 WeakPolarHBondContact CE-OD1 3.49Å; K815-D826 IonicContact NZ-OD1 2.8Å; K815-D826 PolarHBondContact NZ-OD1 2.9Å; K815-D826 IonicContact NZ-OD2 3.53Å; K815-D826 PolarHBondContact NZ-OD2 2.97Å; P822-D826 HydrophobicContact CB-CB 4.49Å; S823-D826 PolarHBondContact N-OD2 2.85Å; S823-D826 WeakPolarHBondContact O-CB 3.42Å; S823-D826 PolarHBondContact O-N 2.86Å; S823-D826 PolarHBondContact OG-OD2 2.86Å; L824-D826 VanDerWaalsContact C-N 3.3Å; L824-D826 PolarHBondContact O-N 2.85Å; D826-K828 VanDerWaalsContact C-N 3.31Å; D826-E829 WeakPolarHBondContact O-CB 3.43Å; D826-E829 PolarHBondContact O-N 2.76Å; D826-L830 PolarHBondContact O-N 2.84Å; D826-F898 HydrophobicContact CB-CZ 4.39Å |
| 827 | F | 88.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.1 | -32 | 174.1 | -168.8 | -121.1 | 0 | 0 | 0 | 112.2 | S823 L824 D825 E829 L830 S831 E834 A835 L838 Y893 L894 V897 F898 | S823-F827 PolarHBondContact O-N 3.45Å; L824-F827 PolarHBondContact O-N 2.94Å; D825-F827 VanDerWaalsContact C-N 3.33Å; F827-E829 VanDerWaalsContact C-N 3.26Å; F827-E829 PolarHBondContact O-N 2.86Å; F827-L830 HydrophobicContact CD2-CD2 4.47Å; F827-L830 PolarHBondContact O-N 2.84Å; F827-S831 CarbonylContact O-C 3.33Å; F827-S831 PolarHBondContact O-N 2.93Å; F827-E834 HydrophobicContact CE1-CB 3.58Å; F827-E834 HydrophobicContact CZ-CB 3.71Å; F827-E834 WeakPolarHBondContact CZ-OE2 3.37Å; F827-A835 HydrophobicContact CD1-CB 3.62Å; F827-A835 HydrophobicContact CE1-CB 4.2Å; F827-A835 HydrophobicContact CG-CB 4.39Å; F827-L838 HydrophobicContact CD1-CD1 3.94Å; F827-L838 HydrophobicContact CE1-CD1 3.81Å; F827-Y893 AromaticContact CE1-CE1 3.95Å; F827-Y893 HydrophobicContact CE1-CE1 3.95Å; F827-Y893 HydrophobicContact CE2-CE1 4.49Å; F827-Y893 AromaticContact CZ-CE1 3.75Å; F827-Y893 HydrophobicContact CZ-CE1 3.75Å; F827-L894 HydrophobicContact CB-CD2 3.49Å; F827-L894 VanDerWaalsContact CB-CD2 3.49Å; F827-L894 HydrophobicContact CD1-CD2 4.12Å; F827-L894 HydrophobicContact CD2-CD2 4.43Å; F827-L894 HydrophobicContact CG-CD2 3.77Å; F827-V897 HydrophobicContact CD2-CG1 4.28Å; F827-V897 HydrophobicContact CE2-CG1 3.95Å; F827-V897 HydrophobicContact CE2-CG2 4.41Å; F827-F898 HydrophobicContact CB-CE2 3.95Å; F827-F898 HydrophobicContact CB-CZ 4.17Å; F827-F898 HydrophobicContact CD2-CE2 4.1Å; F827-F898 HydrophobicContact CD2-CZ 4.05Å; F827-F898 HydrophobicContact CG-CE2 4.45Å |
| 828 | K | 87.6 | Confident | 87.2 | Confident | 131 Ų | 131 | 57.8 Ų | 57.8 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.9 | -30.7 | 173.3 | -169.3 | 179.8 | 179.9 | -179.9 | 0 | 112.8 | L824 D825 D826 P832 A835 | L824-K828 PolarHBondContact O-N 2.86Å; D825-K828 WeakPolarHBondContact O-CB 3.5Å; D825-K828 PolarHBondContact O-N 3.39Å; D826-K828 VanDerWaalsContact C-N 3.31Å; K828-P832 WeakPolarHBondContact O-CA 3.38Å; K828-P832 WeakPolarHBondContact O-CG 3.4Å; K828-A835 HydrophobicContact CB-CB 3.8Å; K828-A835 HydrophobicContact CG-CB 4.26Å |
| 829 | E | 86.4 | Confident | 87.4 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.2 | -46 | 170.9 | -172.1 | -175.6 | -165 | 0 | 0 | 111.2 | S772 L774 L811 D825 D826 F827 | S772-E829 WeakPolarHBondContact CB-O 3.22Å; L774-E829 HydrophobicContact CD1-CG 3.86Å; L811-E829 VanDerWaalsContact CB-OE2 3.27Å; L811-E829 WeakPolarHBondContact CB-OE2 3.35Å; L811-E829 PolarHBondContact N-OE2 3.07Å; D825-E829 PolarHBondContact O-N 3.13Å; D826-E829 WeakPolarHBondContact O-CB 3.43Å; D826-E829 PolarHBondContact O-N 2.76Å; F827-E829 VanDerWaalsContact C-N 3.26Å; F827-E829 PolarHBondContact O-N 2.86Å |
| 830 | L | 87.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.7 | -54 | -177.9 | -178.7 | 63.7 | 0 | 0 | 0 | 113.1 | Y769 S772 L774 W776 P810 D826 F827 V897 F898 | Y769-L830 HydrophobicContact CD1-CD1 4.38Å; Y769-L830 HydrophobicContact CD1-CG 4.33Å; Y769-L830 HydrophobicContact CD2-CD1 3.73Å; Y769-L830 HydrophobicContact CD2-CG 4.44Å; Y769-L830 HydrophobicContact CE1-CG 4.21Å; Y769-L830 HydrophobicContact CE2-CD1 3.92Å; Y769-L830 HydrophobicContact CE2-CG 4.36Å; Y769-L830 HydrophobicContact CG-CD1 3.99Å; Y769-L830 HydrophobicContact CG-CG 4.44Å; S772-L830 WeakPolarHBondContact CB-O 3.4Å; S772-L830 PolarHBondContact OG-O 2.9Å; L774-L830 HydrophobicContact CB-CD1 4.46Å; W776-L830 HydrophobicContact CB-CD1 3.98Å; W776-L830 HydrophobicContact CB-CD2 4.36Å; W776-L830 HydrophobicContact CD2-CD2 4.44Å; W776-L830 HydrophobicContact CG-CD2 4.14Å; P810-L830 HydrophobicContact CG-CD1 4.26Å; D826-L830 PolarHBondContact O-N 2.84Å; F827-L830 HydrophobicContact CD2-CD2 4.47Å; F827-L830 PolarHBondContact O-N 2.84Å; L830-V897 HydrophobicContact CD2-CG1 4.44Å; L830-F898 HydrophobicContact CD2-CE1 3.94Å; L830-F898 HydrophobicContact CD2-CZ 4.29Å |
| 831 | S | 87.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | trans | -133.2 | 87.9 | -179.6 | -175 | 0 | 0 | 0 | 0 | 110.2 | F827 T833 E834 A835 | F827-S831 CarbonylContact O-C 3.33Å; F827-S831 PolarHBondContact O-N 2.93Å; S831-T833 PolarHBondContact O-N 2.93Å; S831-E834 PolarHBondContact O-N 2.65Å; S831-A835 VanDerWaalsContact O-CB 3.3Å; S831-A835 WeakPolarHBondContact O-CB 3.44Å; S831-A835 PolarHBondContact O-N 3.26Å | ||
| 832 | P | 87.4 | Confident | 87.7 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 26% | 0.26 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59 | -33.2 | -176.5 | -22.9 | 30.7 | 0 | 0 | 0 | 113.6 | K828 R836 | K828-P832 WeakPolarHBondContact O-CA 3.38Å; K828-P832 WeakPolarHBondContact O-CG 3.4Å; P832-R836 WeakPolarHBondContact O-CB 3.28Å; P832-R836 PolarHBondContact O-N 3.48Å; P832-R836 VanDerWaalsContact O-N 3.13Å |
| 833 | T | 87.2 | Confident | 87.7 | Confident | 84 Ų | 84 | 55 Ų | 55 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72 | -51.3 | -176.5 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | D771 S831 R836 S837 | D771-T833 PolarHBondContact OD2-OG1 2.95Å; S831-T833 PolarHBondContact O-N 2.93Å; T833-R836 PolarHBondContact O-N 3.23Å; T833-S837 PolarHBondContact O-N 3.24Å; T833-S837 PolarHBondContact O-OG 3.36Å |
| 834 | E | 86.9 | Confident | 87.7 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 177.8 | -68.5 | -177.8 | -153.5 | 0 | 0 | 111.3 | F827 S831 R836 S837 L838 R861 Y893 | F827-E834 HydrophobicContact CE1-CB 3.58Å; F827-E834 HydrophobicContact CZ-CB 3.71Å; F827-E834 WeakPolarHBondContact CZ-OE2 3.37Å; S831-E834 PolarHBondContact O-N 2.65Å; E834-R836 VanDerWaalsContact C-N 3.3Å; E834-R836 PolarHBondContact O-N 3.23Å; E834-S837 WeakPolarHBondContact O-CB 3.15Å; E834-S837 PolarHBondContact O-N 3.09Å; E834-S837 VanDerWaalsContact O-N 3.16Å; E834-L838 PolarHBondContact O-N 2.9Å; E834-L838 VanDerWaalsContact O-N 3.13Å; E834-R861 IonicContact OE1-NH1 2.87Å; E834-R861 IonicContact OE2-NH2 2.7Å; E834-Y893 PolarHBondContact OE2-OH 3.45Å |
| 835 | A | 87.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F827 K828 S831 S837 L838 Q839 | F827-A835 HydrophobicContact CD1-CB 3.62Å; F827-A835 HydrophobicContact CE1-CB 4.2Å; F827-A835 HydrophobicContact CG-CB 4.39Å; K828-A835 HydrophobicContact CB-CB 3.8Å; K828-A835 HydrophobicContact CG-CB 4.26Å; S831-A835 VanDerWaalsContact O-CB 3.3Å; S831-A835 WeakPolarHBondContact O-CB 3.44Å; S831-A835 PolarHBondContact O-N 3.26Å; A835-S837 VanDerWaalsContact C-N 3.32Å; A835-S837 PolarHBondContact O-N 2.98Å; A835-L838 PolarHBondContact O-N 2.95Å; A835-Q839 WeakPolarHBondContact O-CB 3.25Å; A835-Q839 PolarHBondContact O-N 3.14Å |
| 836 | R | 88.6 | Confident | 87.1 | Confident | 167 Ų | 167 | 58.9 Ų | 58.9 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.1 | -39.4 | 175.7 | -170.4 | -177.9 | -60.2 | 171.2 | 3.4 | 111.5 | P832 T833 E834 Q839 Q840 | P832-R836 WeakPolarHBondContact O-CB 3.28Å; P832-R836 PolarHBondContact O-N 3.48Å; P832-R836 VanDerWaalsContact O-N 3.13Å; T833-R836 PolarHBondContact O-N 3.23Å; E834-R836 VanDerWaalsContact C-N 3.3Å; E834-R836 PolarHBondContact O-N 3.23Å; R836-Q839 PolarHBondContact O-N 2.94Å; R836-Q840 WeakPolarHBondContact O-CB 3.13Å; R836-Q840 VanDerWaalsContact O-CG 3.28Å; R836-Q840 WeakPolarHBondContact O-CG 2.97Å; R836-Q840 PolarHBondContact O-N 2.98Å |
| 837 | S | 88.7 | Confident | 86.4 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | T833 E834 A835 Q840 L841 | T833-S837 PolarHBondContact O-N 3.24Å; T833-S837 PolarHBondContact O-OG 3.36Å; E834-S837 WeakPolarHBondContact O-CB 3.15Å; E834-S837 PolarHBondContact O-N 3.09Å; E834-S837 VanDerWaalsContact O-N 3.16Å; A835-S837 VanDerWaalsContact C-N 3.32Å; A835-S837 PolarHBondContact O-N 2.98Å; S837-Q840 PolarHBondContact O-N 2.9Å; S837-L841 PolarHBondContact O-N 3.39Å; S837-L841 VanDerWaalsContact O-N 3.11Å |
| 838 | L | 89.1 | Confident | 86.3 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 175.3 | -64.1 | 175.3 | 0 | 0 | 0 | 112.2 | L824 F827 E834 A835 L841 L842 F889 V890 Y893 | L824-L838 HydrophobicContact CD1-CB 4.04Å; L824-L838 HydrophobicContact CD1-CD1 4.23Å; F827-L838 HydrophobicContact CD1-CD1 3.94Å; F827-L838 HydrophobicContact CE1-CD1 3.81Å; E834-L838 PolarHBondContact O-N 2.9Å; E834-L838 VanDerWaalsContact O-N 3.13Å; A835-L838 PolarHBondContact O-N 2.95Å; L838-L841 WeakPolarHBondContact O-CB 3.16Å; L838-L841 PolarHBondContact O-N 3.07Å; L838-L842 PolarHBondContact O-N 3.45Å; L838-F889 HydrophobicContact CD2-CE1 4.04Å; L838-V890 HydrophobicContact CB-CG2 4.34Å; L838-V890 HydrophobicContact CD2-CG2 4.28Å; L838-Y893 HydrophobicContact CD1-CD1 3.75Å; L838-Y893 HydrophobicContact CD1-CE1 4.09Å; L838-Y893 HydrophobicContact CD1-CG 4.26Å |
| 839 | Q | 90.6 | Very high | 85.9 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 174.2 | -173.7 | 65.3 | 49.6 | 0 | 0 | 111.2 | L824 A835 R836 L841 L842 D843 | L824-Q839 HydrophobicContact CD2-CB 4.41Å; A835-Q839 WeakPolarHBondContact O-CB 3.25Å; A835-Q839 PolarHBondContact O-N 3.14Å; R836-Q839 PolarHBondContact O-N 2.94Å; Q839-L841 VanDerWaalsContact C-N 3.28Å; Q839-L841 PolarHBondContact O-N 2.83Å; Q839-L842 PolarHBondContact O-N 3.33Å; Q839-L842 VanDerWaalsContact O-N 3.12Å; Q839-D843 WeakPolarHBondContact CG-OD2 3.46Å; Q839-D843 VanDerWaalsContact NE2-CG 3.3Å; Q839-D843 PolarHBondContact NE2-OD1 3.45Å; Q839-D843 PolarHBondContact NE2-OD2 3.21Å; Q839-D843 WeakPolarHBondContact O-CB 3.12Å; Q839-D843 PolarHBondContact O-N 3.36Å |
| 840 | Q | 88.1 | Confident | 85.7 | Confident | 111 Ų | 111 | 61 Ų | 61 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -36.8 | 175.2 | -76.5 | 174 | -11.1 | 0 | 0 | 112.5 | R836 S837 D843 Y844 | R836-Q840 WeakPolarHBondContact O-CB 3.13Å; R836-Q840 VanDerWaalsContact O-CG 3.28Å; R836-Q840 WeakPolarHBondContact O-CG 2.97Å; R836-Q840 PolarHBondContact O-N 2.98Å; S837-Q840 PolarHBondContact O-N 2.9Å; Q840-D843 PolarHBondContact O-N 3.46Å; Q840-Y844 WeakPolarHBondContact O-CB 3.4Å; Q840-Y844 PolarHBondContact O-N 3Å |
| 841 | L | 87.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 174.6 | 179.6 | 66.5 | 0 | 0 | 0 | 112.2 | S837 L838 Q839 V849 F853 L855 V881 R886 F889 V890 | S837-L841 PolarHBondContact O-N 3.39Å; S837-L841 VanDerWaalsContact O-N 3.11Å; L838-L841 WeakPolarHBondContact O-CB 3.16Å; L838-L841 PolarHBondContact O-N 3.07Å; Q839-L841 VanDerWaalsContact C-N 3.28Å; Q839-L841 PolarHBondContact O-N 2.83Å; L841-V849 HydrophobicContact CD1-CG1 3.94Å; L841-F853 HydrophobicContact CD1-CB 4.36Å; L841-F853 HydrophobicContact CD1-CD1 4.12Å; L841-F853 HydrophobicContact CD1-CD2 3.78Å; L841-F853 HydrophobicContact CD1-CE1 4.35Å; L841-F853 HydrophobicContact CD1-CE2 4.04Å; L841-F853 HydrophobicContact CD1-CG 3.82Å; L841-F853 HydrophobicContact CD1-CZ 4.32Å; L841-L855 HydrophobicContact CD2-CD1 4.25Å; L841-V881 HydrophobicContact CD2-CG1 4.35Å; L841-R886 HydrophobicContact CD2-CB 4.48Å; L841-R886 HydrophobicContact CG-CB 4.29Å; L841-R886 PolarHBondContact O-NH1 3.41Å; L841-R886 VanDerWaalsContact O-NH1 3.08Å; L841-F889 HydrophobicContact CD2-CD1 3.79Å; L841-F889 HydrophobicContact CD2-CE1 4.2Å; L841-V890 HydrophobicContact CD2-CG2 4.33Å |
| 842 | L | 87.8 | Confident | 85.1 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.2 | -39.3 | 177.6 | -67.6 | 175.6 | 0 | 0 | 0 | 112.5 | L824 L838 Q839 Y844 R886 K887 V890 | L824-L842 HydrophobicContact CD2-CD1 3.78Å; L838-L842 PolarHBondContact O-N 3.45Å; Q839-L842 PolarHBondContact O-N 3.33Å; Q839-L842 VanDerWaalsContact O-N 3.12Å; L842-Y844 VanDerWaalsContact C-N 3.33Å; L842-R886 VanDerWaalsContact O-CZ 3.27Å; L842-R886 PolarHBondContact O-NH1 3.06Å; L842-R886 VanDerWaalsContact O-NH1 3.1Å; L842-R886 PolarHBondContact O-NH2 3.48Å; L842-K887 HydrophobicContact CD2-CG 3.97Å; L842-V890 HydrophobicContact CD1-CG1 4.32Å; L842-V890 HydrophobicContact CD1-CG2 4.32Å; L842-V890 HydrophobicContact CD2-CG2 3.98Å; L842-V890 HydrophobicContact CG-CG2 4.03Å |
| 843 | D | 88.1 | Confident | 84.9 | Confident | 104 Ų | 104 | 72.3 Ų | 72.3 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -83.5 | -8 | -176.3 | -65 | -19.8 | 0 | 0 | 0 | 113.2 | Q839 Q840 E845 | Q839-D843 WeakPolarHBondContact CG-OD2 3.46Å; Q839-D843 VanDerWaalsContact NE2-CG 3.3Å; Q839-D843 PolarHBondContact NE2-OD1 3.45Å; Q839-D843 PolarHBondContact NE2-OD2 3.21Å; Q839-D843 WeakPolarHBondContact O-CB 3.12Å; Q839-D843 PolarHBondContact O-N 3.36Å; Q840-D843 PolarHBondContact O-N 3.46Å; D843-E845 PolarHBondContact O-N 2.81Å |
| 844 | Y | 87.7 | Confident | 84.7 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | trans | -64.5 | 121 | 178.6 | -169.1 | -102.5 | 0 | 0 | 0 | 111.6 | Q840 L842 D848 V849 T852 F853 R886 | Q840-Y844 WeakPolarHBondContact O-CB 3.4Å; Q840-Y844 PolarHBondContact O-N 3Å; L842-Y844 VanDerWaalsContact C-N 3.33Å; Y844-D848 VanDerWaalsContact CE1-OD1 3.29Å; Y844-D848 WeakPolarHBondContact CE1-OD1 3.48Å; Y844-D848 PolarHBondContact OH-OD1 2.9Å; Y844-V849 HydrophobicContact CD1-CG2 3.76Å; Y844-V849 HydrophobicContact CE1-CG2 4.22Å; Y844-T852 HydrophobicContact CE2-CG2 4.32Å; Y844-T852 PolarHBondContact OH-OG1 3.3Å; Y844-F853 AromaticContact CD1-CE2 3.97Å; Y844-F853 HydrophobicContact CD1-CE2 3.97Å; Y844-F853 AromaticContact CD2-CE2 3.91Å; Y844-F853 HydrophobicContact CD2-CE2 3.91Å; Y844-F853 HydrophobicContact CD2-CZ 4.06Å; Y844-F853 HydrophobicContact CE1-CE2 4.36Å; Y844-F853 HydrophobicContact CE2-CE2 4.35Å; Y844-F853 AromaticContact CG-CE2 3.7Å; Y844-F853 HydrophobicContact CG-CE2 3.7Å; Y844-F853 HydrophobicContact CG-CZ 4.14Å; Y844-R886 PolarHBondContact O-NH1 3.5Å | ||
| 845 | E | 80.1 | Confident | 84.7 | Confident | 175 Ų | 175 | 75.5 Ų | 75.5 | 82% | 0.818 | 39% | 0.394 | S | S | * | . | trans | -89.4 | -18.3 | -177.7 | -64.7 | -165.7 | 161.4 | 0 | 0 | 113.9 | D843 K883 | D843-E845 PolarHBondContact O-N 2.81Å; E845-K883 PolarHBondContact O-NZ 2.89Å | ||
| 846 | G | 78 | Confident | 84.8 | Confident | 24 Ų | 24 | 78.2 Ų | 78.2 | 25% | 0.247 | 41% | 0.408 | C | S | . | . | trans | -60.9 | 153.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D848 | G846-D848 VanDerWaalsContact C-N 3.34Š| ||
| 847 | G | 74.5 | Confident | 84.8 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 76% | 0.763 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -84.5 | -8.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 848 | D | 84 | Confident | 84.8 | Confident | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | trans | -103.9 | 36 | -171.9 | 57.8 | -19 | 0 | 0 | 0 | 112.4 | Y844 G846 E850 E851 T852 | Y844-D848 VanDerWaalsContact CE1-OD1 3.29Å; Y844-D848 WeakPolarHBondContact CE1-OD1 3.48Å; Y844-D848 PolarHBondContact OH-OD1 2.9Å; G846-D848 VanDerWaalsContact C-N 3.34Å; D848-E850 VanDerWaalsContact C-N 3.27Å; D848-E850 PolarHBondContact O-N 3.37Å; D848-E851 PolarHBondContact O-N 3.49Å; D848-T852 VanDerWaalsContact O-CB 3.26Å; D848-T852 WeakPolarHBondContact O-CB 3.31Å; D848-T852 PolarHBondContact O-N 3.33Å; D848-T852 PolarHBondContact O-OG1 3.07Å; D848-T852 PolarHBondContact OD2-OG1 3.36Å | ||
| 849 | V | 81.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55 | -43.9 | -179 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | L841 Y844 T852 F853 K883 | L841-V849 HydrophobicContact CD1-CG1 3.94Å; Y844-V849 HydrophobicContact CD1-CG2 3.76Å; Y844-V849 HydrophobicContact CE1-CG2 4.22Å; V849-T852 PolarHBondContact O-N 2.97Å; V849-F853 HydrophobicContact CG1-CD2 4.09Å; V849-F853 WeakPolarHBondContact O-CD2 3.41Å; V849-F853 PolarHBondContact O-N 3.44Å; V849-K883 HydrophobicContact CG2-CB 4.26Å |
| 850 | E | 81.1 | Confident | 84.4 | Confident | 107 Ų | 107 | 69.4 Ų | 69.4 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | -178.5 | -173.3 | 176.6 | -176.4 | 0 | 0 | 111.7 | D848 L854 A880 V881 | D848-E850 VanDerWaalsContact C-N 3.27Å; D848-E850 PolarHBondContact O-N 3.37Å; E850-L854 WeakPolarHBondContact O-CA 3.43Å; E850-L854 WeakPolarHBondContact O-CD2 3.39Å; E850-L854 PolarHBondContact O-N 2.88Å; E850-A880 HydrophobicContact CG-CB 4.06Å; E850-A880 WeakPolarHBondContact OE1-CB 3.3Å; E850-V881 WeakPolarHBondContact CA-O 3.39Å |
| 851 | E | 81 | Confident | 84 | Confident | 156 Ų | 156 | 66.7 Ų | 66.7 | 73% | 0.729 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -74 | -29.2 | -179.6 | -63.3 | -176.9 | 178.6 | 0 | 0 | 113 | D848 | D848-E851 PolarHBondContact O-N 3.49Å |
| 852 | T | 81.6 | Confident | 83.5 | Confident | 67 Ų | 67 | 73.3 Ų | 73.3 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -80.3 | -44.7 | -176.6 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | Y844 D848 V849 | Y844-T852 HydrophobicContact CE2-CG2 4.32Å; Y844-T852 PolarHBondContact OH-OG1 3.3Å; D848-T852 VanDerWaalsContact O-CB 3.26Å; D848-T852 WeakPolarHBondContact O-CB 3.31Å; D848-T852 PolarHBondContact O-N 3.33Å; D848-T852 PolarHBondContact O-OG1 3.07Å; D848-T852 PolarHBondContact OD2-OG1 3.36Å; V849-T852 PolarHBondContact O-N 2.97Å |
| 853 | F | 82.2 | Confident | 82.5 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -98.9 | -26.1 | -173.9 | -67.5 | -86.4 | 0 | 0 | 0 | 112.9 | L841 Y844 V849 L855 | L841-F853 HydrophobicContact CD1-CB 4.36Å; L841-F853 HydrophobicContact CD1-CD1 4.12Å; L841-F853 HydrophobicContact CD1-CD2 3.78Å; L841-F853 HydrophobicContact CD1-CE1 4.35Å; L841-F853 HydrophobicContact CD1-CE2 4.04Å; L841-F853 HydrophobicContact CD1-CG 3.82Å; L841-F853 HydrophobicContact CD1-CZ 4.32Å; Y844-F853 AromaticContact CD1-CE2 3.97Å; Y844-F853 HydrophobicContact CD1-CE2 3.97Å; Y844-F853 AromaticContact CD2-CE2 3.91Å; Y844-F853 HydrophobicContact CD2-CE2 3.91Å; Y844-F853 HydrophobicContact CD2-CZ 4.06Å; Y844-F853 HydrophobicContact CE1-CE2 4.36Å; Y844-F853 HydrophobicContact CE2-CE2 4.35Å; Y844-F853 AromaticContact CG-CE2 3.7Å; Y844-F853 HydrophobicContact CG-CE2 3.7Å; Y844-F853 HydrophobicContact CG-CZ 4.14Å; V849-F853 HydrophobicContact CG1-CD2 4.09Å; V849-F853 WeakPolarHBondContact O-CD2 3.41Å; V849-F853 PolarHBondContact O-N 3.44Å; F853-L855 HydrophobicContact CB-CD1 4.13Å; F853-L855 HydrophobicContact CB-CG 4.08Å; F853-L855 PolarHBondContact O-N 3.23Å; F853-L855 VanDerWaalsContact O-N 3.12Å |
| 854 | L | 83.9 | Confident | 81.5 | Confident | 143 Ų | 143 | 75.2 Ų | 75.2 | 75% | 0.749 | 39% | 0.392 | S | S | * | . | trans | 46.5 | 42.3 | 178.7 | -66 | 167.5 | 0 | 0 | 0 | 113 | E850 | E850-L854 WeakPolarHBondContact O-CA 3.43Å; E850-L854 WeakPolarHBondContact O-CD2 3.39Å; E850-L854 PolarHBondContact O-N 2.88Å | ||
| 855 | L | 86.8 | Confident | 80.4 | Confident | 68 Ų | 68 | 75 Ų | 75 | 36% | 0.356 | 41% | 0.409 | S | S | . | . | trans | -95.4 | 146.4 | 178.5 | -64.2 | 174 | 0 | 0 | 0 | 110.4 | L841 F853 V881 F889 | L841-L855 HydrophobicContact CD2-CD1 4.25Å; F853-L855 HydrophobicContact CB-CD1 4.13Å; F853-L855 HydrophobicContact CB-CG 4.08Å; F853-L855 PolarHBondContact O-N 3.23Å; F853-L855 VanDerWaalsContact O-N 3.12Å; L855-V881 HydrophobicContact CB-CB 4.08Å; L855-V881 HydrophobicContact CB-CG2 3.84Å; L855-V881 PolarHBondContact O-N 3.37Å; L855-F889 HydrophobicContact CD1-CE1 4.2Å; L855-F889 HydrophobicContact CD1-CZ 4.43Å | ||
| 856 | N | 89.1 | Confident | 80 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 32% | 0.316 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -118.9 | 173.6 | 165.4 | 59.7 | 3.7 | 0 | 0 | 0 | 109.7 | A858 E877 I879 F889 | N856-A858 PolarHBondContact O-N 3.44Å; N856-A858 PolarHBondContact OD1-O 3.07Å; N856-E877 PolarHBondContact ND2-O 3.27Å; N856-E877 VanDerWaalsContact ND2-O 3.12Å; N856-I879 WeakPolarHBondContact CA-O 3.17Å; N856-I879 WeakPolarHBondContact CB-O 3.46Å; N856-F889 VanDerWaalsContact O-CE2 3.25Å; N856-F889 WeakPolarHBondContact O-CE2 3.45Å |
| 857 | F | 89.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 77.6 Ų | 77.6 | 2% | 0.018 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -78.2 | 39.8 | 178 | -78.7 | -109.5 | 0 | 0 | 0 | 112.8 | L872 I873 G876 I879 V881 N885 E888 F889 | F857-L872 PolarHBondContact O-N 3.33Å; F857-I873 HydrophobicContact CB-CD1 3.85Å; F857-I873 HydrophobicContact CB-CG1 3.69Å; F857-I873 HydrophobicContact CD1-CD1 3.46Å; F857-I873 VanDerWaalsContact CD1-CD1 3.46Å; F857-I873 HydrophobicContact CD1-CG1 3.83Å; F857-I873 HydrophobicContact CD1-CG2 4.07Å; F857-I873 HydrophobicContact CD2-CD1 4.19Å; F857-I873 HydrophobicContact CE1-CD1 3.96Å; F857-I873 HydrophobicContact CG-CD1 3.58Å; F857-I873 HydrophobicContact CG-CG1 3.95Å; F857-G876 PolarHBondContact N-O 3.33Å; F857-I879 HydrophobicContact CD2-CB 4.1Å; F857-I879 HydrophobicContact CD2-CG2 3.67Å; F857-I879 HydrophobicContact CE2-CG2 3.85Å; F857-I879 PolarHBondContact N-O 3.32Å; F857-I879 VanDerWaalsContact N-O 3.16Å; F857-V881 HydrophobicContact CD2-CG2 4.02Å; F857-V881 HydrophobicContact CE2-CG2 3.95Å; F857-N885 HydrophobicContact CE2-CB 4.43Å; F857-N885 HydrophobicContact CZ-CB 4.23Å; F857-E888 HydrophobicContact CE1-CB 4.46Å; F857-E888 HydrophobicContact CZ-CB 4.42Å; F857-F889 HydrophobicContact CD1-CB 4.47Å; F857-F889 HydrophobicContact CD1-CD2 4.05Å; F857-F889 HydrophobicContact CD2-CD2 4.31Å; F857-F889 VanDerWaalsContact CE1-CA 3.47Å; F857-F889 HydrophobicContact CE1-CB 3.86Å; F857-F889 HydrophobicContact CE1-CD2 4.29Å; F857-F889 HydrophobicContact CE2-CB 4.26Å; F857-F889 HydrophobicContact CG-CD2 4.07Å; F857-F889 HydrophobicContact CZ-CB 3.74Å |
| 858 | A | 88.5 | Confident | 80.4 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 12% | 0.124 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N856 I869 K870 E877 | N856-A858 PolarHBondContact O-N 3.44Å; N856-A858 PolarHBondContact OD1-O 3.07Å; A858-I869 HydrophobicContact CB-CG2 3.93Å; A858-K870 CarbonylContact C-O 3.35Å; A858-K870 WeakPolarHBondContact CA-O 3.09Å; A858-E877 HydrophobicContact CB-CG 3.75Å |
| 859 | I | 87.2 | Confident | 80.4 | Confident | 16 Ų | 16 | 78.2 Ų | 78.2 | 8% | 0.082 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149.2 | 179.8 | 61.4 | 165.7 | 0 | 0 | 0 | 110.1 | R861 I869 K870 L872 Y893 Y896 | I859-R861 HydrophobicContact CD1-CG 4.41Å; I859-I869 CarbonylContact O-C 3.57Å; I859-I869 WeakPolarHBondContact O-CA 3.42Å; I859-K870 HydrophobicContact CG1-CB 4.08Å; I859-K870 PolarHBondContact N-O 3.29Å; I859-K870 PolarHBondContact O-N 2.76Å; I859-L872 HydrophobicContact CD1-CD2 3.99Å; I859-L872 HydrophobicContact CG1-CD2 4.08Å; I859-L872 HydrophobicContact CG2-CD1 3.91Å; I859-L872 HydrophobicContact CG2-CD2 4.22Å; I859-L872 HydrophobicContact CG2-CG 4.15Å; I859-Y893 HydrophobicContact CD1-CE2 4.49Å; I859-Y893 HydrophobicContact CG2-CD2 3.75Å; I859-Y893 HydrophobicContact CG2-CE2 3.67Å; I859-Y896 HydrophobicContact CD1-CD1 3.41Å; I859-Y896 VanDerWaalsContact CD1-CD1 3.41Å; I859-Y896 HydrophobicContact CD1-CE1 3.33Å; I859-Y896 HydrophobicContact CD1-CG 4.21Å |
| 860 | T | 84.6 | Confident | 80.5 | Confident | 97 Ų | 97 | 81.5 Ų | 81.5 | 60% | 0.595 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.8 | 175.7 | -52.8 | 0 | 0 | 0 | 0 | 109.2 | T867 E868 | T860-T867 HydrophobicContact CG2-CG2 4.34Å; T860-E868 WeakPolarHBondContact CA-O 3.34Å |
| 861 | R | 80.1 | Confident | 80.9 | Confident | 54 Ų | 54 | 80.5 Ų | 80.5 | 20% | 0.204 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.3 | 174 | -77.7 | -73.3 | -175.1 | -163.8 | -6 | 109.8 | E834 I859 T867 E868 | E834-R861 IonicContact OE1-NH1 2.87Å; E834-R861 IonicContact OE2-NH2 2.7Å; I859-R861 HydrophobicContact CD1-CG 4.41Å; R861-T867 WeakPolarHBondContact O-CA 3.33Å; R861-E868 PolarHBondContact N-O 3.31Å; R861-E868 PolarHBondContact O-N 2.86Å |
| 862 | E | 75.6 | Confident | 81.2 | Confident | 142 Ų | 142 | 73.5 Ų | 73.5 | 66% | 0.664 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 111 | 174.3 | -169.6 | 180 | 177.3 | 0 | 0 | 109.3 | T867 | E862-T867 HydrophobicContact CB-CG2 4.48Å; E862-T867 HydrophobicContact CG-CG2 4.39Å |
| 863 | N | 68.2 | Low | 81.4 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 15% | 0.15 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.7 | 179 | -76 | -29.8 | 0 | 0 | 0 | 108.8 | D779 K780 G865 M866 | D779-N863 PolarHBondContact OD2-ND2 3.25Å; K780-N863 HydrophobicContact CD-CB 4.01Å; N863-G865 PolarHBondContact O-N 3.46Å; N863-M866 PolarHBondContact N-O 3.28Å; N863-M866 PolarHBondContact O-N 2.97Å |
| 864 | Y | 66.3 | Low | 81.6 | Confident | 156 Ų | 156 | 75.6 Ų | 75.6 | 61% | 0.612 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 36.6 | -179 | -55.1 | -81.9 | 0 | 0 | 0 | 114.4 | K780 F782 M866 | K780-Y864 HydrophobicContact CB-CE2 4.24Å; K780-Y864 PolarHBondContact O-OH 3.49Å; F782-Y864 HydrophobicContact CE2-CE1 4.42Å; F782-Y864 AromaticContact CE2-CE2 3.83Å; F782-Y864 HydrophobicContact CE2-CE2 3.83Å; F782-Y864 AromaticContact CE2-CZ 3.78Å; Y864-M866 VanDerWaalsContact C-N 3.29Å; Y864-M866 PolarHBondContact O-N 3.48Å |
| 865 | G | 65.6 | Low | 81.6 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 62% | 0.619 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 5.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N863 | N863-G865 PolarHBondContact O-N 3.46Š|
| 866 | M | 71.3 | Confident | 81.5 | Confident | 147 Ų | 147 | 67 Ų | 67 | 72% | 0.724 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.5 | 168.7 | -65.8 | -168.8 | 74.5 | 0 | 0 | 110.2 | N863 Y864 | N863-M866 PolarHBondContact N-O 3.28Å; N863-M866 PolarHBondContact O-N 2.97Å; Y864-M866 VanDerWaalsContact C-N 3.29Å; Y864-M866 PolarHBondContact O-N 3.48Å |
| 867 | T | 79.1 | Confident | 81.3 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 64% | 0.644 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.1 | 171.8 | 50 | 0 | 0 | 0 | 0 | 110 | T860 R861 E862 | T860-T867 HydrophobicContact CG2-CG2 4.34Å; R861-T867 WeakPolarHBondContact O-CA 3.33Å; E862-T867 HydrophobicContact CB-CG2 4.48Å; E862-T867 HydrophobicContact CG-CG2 4.39Å |
| 868 | E | 81.8 | Confident | 81 | Confident | 59 Ų | 59 | 74 Ų | 74 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.1 | 174 | -169 | 177.2 | 172.2 | 0 | 0 | 109.6 | K780 T860 R861 K870 | K780-E868 VanDerWaalsContact CE-OE2 3.29Å; K780-E868 WeakPolarHBondContact CE-OE2 3.45Å; K780-E868 IonicContact NZ-OE2 3.18Å; K780-E868 PolarHBondContact NZ-OE2 2.95Å; T860-E868 WeakPolarHBondContact CA-O 3.34Å; R861-E868 PolarHBondContact N-O 3.31Å; R861-E868 PolarHBondContact O-N 2.86Å; E868-K870 WeakPolarHBondContact OE1-CE 3.22Å; E868-K870 IonicContact OE1-NZ 2.74Å; E868-K870 PolarHBondContact OE1-NZ 2.68Å |
| 869 | I | 83.9 | Confident | 80.9 | Confident | 97 Ų | 97 | 76.2 Ų | 76.2 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124.6 | 172.1 | -57.8 | 174 | 0 | 0 | 0 | 107.3 | A858 I859 E877 | A858-I869 HydrophobicContact CB-CG2 3.93Å; I859-I869 CarbonylContact O-C 3.57Å; I859-I869 WeakPolarHBondContact O-CA 3.42Å; I869-E877 HydrophobicContact CG2-CG 4.49Å; I869-E877 WeakPolarHBondContact CG2-OE1 3.32Å |
| 870 | K | 84.1 | Confident | 80.9 | Confident | 71 Ų | 71 | 77.2 Ų | 77.2 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.5 | 176.9 | -74.8 | -61 | -160.7 | -164.2 | 0 | 109.9 | A858 I859 E868 Y896 | A858-K870 CarbonylContact C-O 3.35Å; A858-K870 WeakPolarHBondContact CA-O 3.09Å; I859-K870 HydrophobicContact CG1-CB 4.08Å; I859-K870 PolarHBondContact N-O 3.29Å; I859-K870 PolarHBondContact O-N 2.76Å; E868-K870 WeakPolarHBondContact OE1-CE 3.22Å; E868-K870 IonicContact OE1-NZ 2.74Å; E868-K870 PolarHBondContact OE1-NZ 2.68Å; K870-Y896 HydrophobicContact CB-CE2 4.43Å; K870-Y896 HydrophobicContact CG-CE2 4.4Å |
| 871 | E | 88.2 | Confident | 81.1 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129 | 170.9 | -56.4 | -164.9 | 137.9 | 0 | 0 | 110.5 | I873 G875 G876 E877 | E871-I873 WeakPolarHBondContact CB-O 3.43Å; E871-G875 PolarHBondContact OE2-N 2.79Å; E871-G876 PolarHBondContact OE1-N 2.76Å; E871-E877 HydrophobicContact CG-CG 4.17Å; E871-E877 PolarHBondContact OE1-N 3.25Å |
| 872 | L | 87.1 | Confident | 81.3 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -79.5 | -26.7 | 177.7 | -62.5 | 177.7 | 0 | 0 | 0 | 112.5 | F857 I859 F889 A892 Y893 R895 Y896 | F857-L872 PolarHBondContact O-N 3.33Å; I859-L872 HydrophobicContact CD1-CD2 3.99Å; I859-L872 HydrophobicContact CG1-CD2 4.08Å; I859-L872 HydrophobicContact CG2-CD1 3.91Å; I859-L872 HydrophobicContact CG2-CD2 4.22Å; I859-L872 HydrophobicContact CG2-CG 4.15Å; L872-F889 HydrophobicContact CD1-CD2 4.1Å; L872-F889 HydrophobicContact CD1-CE2 3.72Å; L872-F889 HydrophobicContact CD1-CZ 4.39Å; L872-A892 HydrophobicContact CB-CB 4.08Å; L872-A892 HydrophobicContact CD1-CB 4.48Å; L872-Y893 HydrophobicContact CD1-CD2 4.32Å; L872-R895 PolarHBondContact O-NH2 2.89Å; L872-Y896 HydrophobicContact CD2-CD1 4.33Å; L872-Y896 HydrophobicContact CD2-CD2 4.46Å; L872-Y896 HydrophobicContact CD2-CG 3.86Å |
| 873 | I | 87 | Confident | 81.7 | Confident | 44 Ų | 44 | 70.8 Ų | 70.8 | 23% | 0.226 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -135 | 155.8 | 174.1 | 63.5 | 179.5 | 0 | 0 | 0 | 109.2 | F857 E871 G875 G876 I879 A892 | F857-I873 HydrophobicContact CB-CD1 3.85Å; F857-I873 HydrophobicContact CB-CG1 3.69Å; F857-I873 HydrophobicContact CD1-CD1 3.46Å; F857-I873 VanDerWaalsContact CD1-CD1 3.46Å; F857-I873 HydrophobicContact CD1-CG1 3.83Å; F857-I873 HydrophobicContact CD1-CG2 4.07Å; F857-I873 HydrophobicContact CD2-CD1 4.19Å; F857-I873 HydrophobicContact CE1-CD1 3.96Å; F857-I873 HydrophobicContact CG-CD1 3.58Å; F857-I873 HydrophobicContact CG-CG1 3.95Å; E871-I873 WeakPolarHBondContact CB-O 3.43Å; I873-G875 PolarHBondContact O-N 2.94Å; I873-G875 VanDerWaalsContact O-N 3.16Å; I873-G876 WeakPolarHBondContact O-CA 3.39Å; I873-G876 PolarHBondContact O-N 3.1Å; I873-I879 HydrophobicContact CD1-CD1 3.51Å; I873-I879 HydrophobicContact CG1-CD1 4.25Å; I873-A892 HydrophobicContact CG2-CB 4.42Å |
| 874 | P | 84.8 | Confident | 82.6 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 83% | 0.831 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 119.8 | 179.2 | -23.4 | 33.7 | 0 | 0 | 0 | 112 | G876 | P874-G876 VanDerWaalsContact C-N 3.34Š|
| 875 | G | 84.5 | Confident | 83.7 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 33% | 0.33 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 20 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E871 I873 E877 S878 | E871-G875 PolarHBondContact OE2-N 2.79Å; I873-G875 PolarHBondContact O-N 2.94Å; I873-G875 VanDerWaalsContact O-N 3.16Å; G875-E877 PolarHBondContact O-N 3.46Å; G875-S878 PolarHBondContact O-N 2.9Å; G875-S878 VanDerWaalsContact O-N 3.09Å; G875-S878 PolarHBondContact O-OG 3.43Å |
| 876 | G | 84.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -60.8 | -23.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F857 E871 I873 P874 S878 I879 | F857-G876 PolarHBondContact N-O 3.33Å; E871-G876 PolarHBondContact OE1-N 2.76Å; I873-G876 WeakPolarHBondContact O-CA 3.39Å; I873-G876 PolarHBondContact O-N 3.1Å; P874-G876 VanDerWaalsContact C-N 3.34Å; G876-S878 PolarHBondContact O-N 2.54Å; G876-I879 PolarHBondContact O-N 2.97Å |
| 877 | E | 84.9 | Confident | 85.5 | Confident | 104 Ų | 104 | 68.4 Ų | 68.4 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -60.6 | -28.7 | 174.5 | -76.4 | -176.9 | -166.6 | 0 | 0 | 113 | N856 A858 I869 E871 G875 | N856-E877 PolarHBondContact ND2-O 3.27Å; N856-E877 VanDerWaalsContact ND2-O 3.12Å; A858-E877 HydrophobicContact CB-CG 3.75Å; I869-E877 HydrophobicContact CG2-CG 4.49Å; I869-E877 WeakPolarHBondContact CG2-OE1 3.32Å; E871-E877 HydrophobicContact CG-CG 4.17Å; E871-E877 PolarHBondContact OE1-N 3.25Å; G875-E877 PolarHBondContact O-N 3.46Å |
| 878 | S | 83.4 | Confident | 86 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 73% | 0.734 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -90.6 | -5.7 | -178.2 | 69.2 | 0 | 0 | 0 | 0 | 114.4 | G875 G876 | G875-S878 PolarHBondContact O-N 2.9Å; G875-S878 VanDerWaalsContact O-N 3.09Å; G875-S878 PolarHBondContact O-OG 3.43Å; G876-S878 PolarHBondContact O-N 2.54Å |
| 879 | I | 87.6 | Confident | 86.5 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | trans | -107.6 | 111.3 | -175.2 | -59.3 | 170.2 | 0 | 0 | 0 | 108.6 | N856 F857 I873 G876 | N856-I879 WeakPolarHBondContact CA-O 3.17Å; N856-I879 WeakPolarHBondContact CB-O 3.46Å; F857-I879 HydrophobicContact CD2-CB 4.1Å; F857-I879 HydrophobicContact CD2-CG2 3.67Å; F857-I879 HydrophobicContact CE2-CG2 3.85Å; F857-I879 PolarHBondContact N-O 3.32Å; F857-I879 VanDerWaalsContact N-O 3.16Å; I873-I879 HydrophobicContact CD1-CD1 3.51Å; I873-I879 HydrophobicContact CG1-CD1 4.25Å; G876-I879 PolarHBondContact O-N 2.97Å | ||
| 880 | A | 87.2 | Confident | 86.7 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -77.8 | 148.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E850 N885 | E850-A880 HydrophobicContact CG-CB 4.06Å; E850-A880 WeakPolarHBondContact OE1-CB 3.3Å; A880-N885 PolarHBondContact O-ND2 3.26Å |
| 881 | V | 87.6 | Confident | 87 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | trans | -84.9 | 119.6 | 177.9 | -178 | 0 | 0 | 0 | 0 | 110.1 | L841 E850 L855 F857 N885 R886 F889 | L841-V881 HydrophobicContact CD2-CG1 4.35Å; E850-V881 WeakPolarHBondContact CA-O 3.39Å; L855-V881 HydrophobicContact CB-CB 4.08Å; L855-V881 HydrophobicContact CB-CG2 3.84Å; L855-V881 PolarHBondContact O-N 3.37Å; F857-V881 HydrophobicContact CD2-CG2 4.02Å; F857-V881 HydrophobicContact CE2-CG2 3.95Å; V881-N885 VanDerWaalsContact CA-OD1 3.26Å; V881-N885 WeakPolarHBondContact CA-OD1 3.37Å; V881-R886 HydrophobicContact CG1-CB 4.07Å; V881-F889 HydrophobicContact CG1-CB 4.17Å; V881-F889 HydrophobicContact CG1-CG 4.36Å; V881-F889 HydrophobicContact CG2-CB 4.06Å; V881-F889 HydrophobicContact CG2-CD1 4.44Å; V881-F889 HydrophobicContact CG2-CD2 3.58Å; V881-F889 HydrophobicContact CG2-CE2 4.13Å; V881-F889 HydrophobicContact CG2-CG 3.76Å | ||
| 882 | D | 85.7 | Confident | 87.1 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | trans | -119 | -177.1 | -179.7 | 76.5 | 17.6 | 0 | 0 | 0 | 112.2 | N884 N885 R886 | D882-N884 VanDerWaalsContact C-N 3.27Å; D882-N884 PolarHBondContact O-N 3.03Å; D882-N884 WeakPolarHBondContact OD1-CA 3.28Å; D882-N884 WeakPolarHBondContact OD1-CB 3.26Å; D882-N884 PolarHBondContact OD1-N 2.99Å; D882-N885 PolarHBondContact N-OD1 2.94Å; D882-N885 PolarHBondContact O-OD1 3.25Å; D882-N885 VanDerWaalsContact OD1-CG 3.23Å; D882-N885 PolarHBondContact OD1-N 2.84Å; D882-N885 PolarHBondContact OD1-OD1 3.35Å; D882-R886 WeakPolarHBondContact O-CB 3.12Å; D882-R886 PolarHBondContact O-N 2.92Å | ||
| 883 | K | 84 | Confident | 87.2 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -27.3 | -178.9 | -171.6 | 167.5 | -175.9 | 159.9 | 0 | 113.9 | E845 V849 | E845-K883 PolarHBondContact O-NZ 2.89Å; V849-K883 HydrophobicContact CG2-CB 4.26Å |
| 884 | N | 86.1 | Confident | 87.4 | Confident | 140 Ų | 140 | 61.4 Ų | 61.4 | 75% | 0.749 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -36 | -176.9 | -62.3 | -36.5 | 0 | 0 | 0 | 111.5 | D882 | D882-N884 VanDerWaalsContact C-N 3.27Å; D882-N884 PolarHBondContact O-N 3.03Å; D882-N884 WeakPolarHBondContact OD1-CA 3.28Å; D882-N884 WeakPolarHBondContact OD1-CB 3.26Å; D882-N884 PolarHBondContact OD1-N 2.99Å |
| 885 | N | 88.6 | Confident | 87.5 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -7.4 | -174 | 73.7 | 20.2 | 0 | 0 | 0 | 114.3 | F857 A880 V881 D882 K887 E888 F889 | F857-N885 HydrophobicContact CE2-CB 4.43Å; F857-N885 HydrophobicContact CZ-CB 4.23Å; A880-N885 PolarHBondContact O-ND2 3.26Å; V881-N885 VanDerWaalsContact CA-OD1 3.26Å; V881-N885 WeakPolarHBondContact CA-OD1 3.37Å; D882-N885 PolarHBondContact N-OD1 2.94Å; D882-N885 PolarHBondContact O-OD1 3.25Å; D882-N885 VanDerWaalsContact OD1-CG 3.23Å; D882-N885 PolarHBondContact OD1-N 2.84Å; D882-N885 PolarHBondContact OD1-OD1 3.35Å; N885-K887 PolarHBondContact O-N 2.98Å; N885-K887 VanDerWaalsContact O-N 3.09Å; N885-E888 WeakPolarHBondContact O-CA 3.35Å; N885-E888 WeakPolarHBondContact O-CB 3.49Å; N885-E888 PolarHBondContact O-N 3.1Å; N885-F889 PolarHBondContact O-N 2.93Å |
| 886 | R | 87.2 | Confident | 87.8 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 14% | 0.143 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.5 | -32.2 | 179 | 62.3 | -178.6 | -179.4 | 168.4 | 1.6 | 115 | L841 L842 Y844 V881 D882 V890 | L841-R886 HydrophobicContact CD2-CB 4.48Å; L841-R886 HydrophobicContact CG-CB 4.29Å; L841-R886 PolarHBondContact O-NH1 3.41Å; L841-R886 VanDerWaalsContact O-NH1 3.08Å; L842-R886 VanDerWaalsContact O-CZ 3.27Å; L842-R886 PolarHBondContact O-NH1 3.06Å; L842-R886 VanDerWaalsContact O-NH1 3.1Å; L842-R886 PolarHBondContact O-NH2 3.48Å; Y844-R886 PolarHBondContact O-NH1 3.5Å; V881-R886 HydrophobicContact CG1-CB 4.07Å; D882-R886 WeakPolarHBondContact O-CB 3.12Å; D882-R886 PolarHBondContact O-N 2.92Å; R886-V890 WeakPolarHBondContact O-CG2 3.46Å; R886-V890 PolarHBondContact O-N 2.96Å |
| 887 | K | 89.2 | Confident | 87.9 | Confident | 140 Ų | 140 | 60.8 Ų | 60.8 | 61% | 0.609 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.5 | -43.9 | 175.3 | -71.9 | -173.9 | 177.1 | -175 | 0 | 111.2 | L842 N885 F889 V890 E891 | L842-K887 HydrophobicContact CD2-CG 3.97Å; N885-K887 PolarHBondContact O-N 2.98Å; N885-K887 VanDerWaalsContact O-N 3.09Å; K887-F889 VanDerWaalsContact C-N 3.3Å; K887-F889 PolarHBondContact O-N 3.11Å; K887-V890 PolarHBondContact O-N 2.84Å; K887-E891 WeakPolarHBondContact O-CG 3.31Å; K887-E891 PolarHBondContact O-N 3.35Å |
| 888 | E | 89.8 | Confident | 88.1 | Confident | 124 Ų | 124 | 55.9 Ų | 55.9 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 176.8 | -59.7 | -179.6 | 175.9 | 0 | 0 | 111.2 | F857 N885 E891 A892 | F857-E888 HydrophobicContact CE1-CB 4.46Å; F857-E888 HydrophobicContact CZ-CB 4.42Å; N885-E888 WeakPolarHBondContact O-CA 3.35Å; N885-E888 WeakPolarHBondContact O-CB 3.49Å; N885-E888 PolarHBondContact O-N 3.1Å; E888-E891 PolarHBondContact O-N 3.09Å; E888-A892 VanDerWaalsContact O-CB 3.23Å; E888-A892 WeakPolarHBondContact O-CB 3.45Å; E888-A892 PolarHBondContact O-N 3.36Å |
| 889 | F | 90.6 | Very high | 88.2 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -49.1 | 173.6 | 176.4 | -98.6 | 0 | 0 | 0 | 112 | L838 L841 L855 N856 F857 L872 V881 N885 K887 E891 A892 Y893 | L838-F889 HydrophobicContact CD2-CE1 4.04Å; L841-F889 HydrophobicContact CD2-CD1 3.79Å; L841-F889 HydrophobicContact CD2-CE1 4.2Å; L855-F889 HydrophobicContact CD1-CE1 4.2Å; L855-F889 HydrophobicContact CD1-CZ 4.43Å; N856-F889 VanDerWaalsContact O-CE2 3.25Å; N856-F889 WeakPolarHBondContact O-CE2 3.45Å; F857-F889 HydrophobicContact CD1-CB 4.47Å; F857-F889 HydrophobicContact CD1-CD2 4.05Å; F857-F889 HydrophobicContact CD2-CD2 4.31Å; F857-F889 VanDerWaalsContact CE1-CA 3.47Å; F857-F889 HydrophobicContact CE1-CB 3.86Å; F857-F889 HydrophobicContact CE1-CD2 4.29Å; F857-F889 HydrophobicContact CE2-CB 4.26Å; F857-F889 HydrophobicContact CG-CD2 4.07Å; F857-F889 HydrophobicContact CZ-CB 3.74Å; L872-F889 HydrophobicContact CD1-CD2 4.1Å; L872-F889 HydrophobicContact CD1-CE2 3.72Å; L872-F889 HydrophobicContact CD1-CZ 4.39Å; V881-F889 HydrophobicContact CG1-CB 4.17Å; V881-F889 HydrophobicContact CG1-CG 4.36Å; V881-F889 HydrophobicContact CG2-CB 4.06Å; V881-F889 HydrophobicContact CG2-CD1 4.44Å; V881-F889 HydrophobicContact CG2-CD2 3.58Å; V881-F889 HydrophobicContact CG2-CE2 4.13Å; V881-F889 HydrophobicContact CG2-CG 3.76Å; N885-F889 PolarHBondContact O-N 2.93Å; K887-F889 VanDerWaalsContact C-N 3.3Å; K887-F889 PolarHBondContact O-N 3.11Å; F889-E891 PolarHBondContact O-N 3.19Å; F889-A892 PolarHBondContact O-N 2.84Å; F889-Y893 HydrophobicContact CZ-CD2 4.43Å; F889-Y893 WeakPolarHBondContact O-CB 3.42Å; F889-Y893 PolarHBondContact O-N 2.82Å |
| 890 | V | 90 | Very high | 88.1 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 178.3 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | L824 L838 L841 L842 R886 K887 A892 Y893 L894 | L824-V890 HydrophobicContact CD1-CG1 4.2Å; L838-V890 HydrophobicContact CB-CG2 4.34Å; L838-V890 HydrophobicContact CD2-CG2 4.28Å; L841-V890 HydrophobicContact CD2-CG2 4.33Å; L842-V890 HydrophobicContact CD1-CG1 4.32Å; L842-V890 HydrophobicContact CD1-CG2 4.32Å; L842-V890 HydrophobicContact CD2-CG2 3.98Å; L842-V890 HydrophobicContact CG-CG2 4.03Å; R886-V890 WeakPolarHBondContact O-CG2 3.46Å; R886-V890 PolarHBondContact O-N 2.96Å; K887-V890 PolarHBondContact O-N 2.84Å; V890-A892 PolarHBondContact O-N 3Å; V890-Y893 PolarHBondContact O-N 3.18Å; V890-L894 HydrophobicContact CG1-CD1 4.04Å; V890-L894 HydrophobicContact CG1-CG 4.4Å; V890-L894 VanDerWaalsContact O-CG 3.27Å; V890-L894 WeakPolarHBondContact O-CG 3.37Å; V890-L894 PolarHBondContact O-N 3.24Å |
| 891 | E | 89.9 | Confident | 88 | Confident | 134 Ų | 134 | 52.8 Ų | 52.8 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 176.3 | -73.9 | 176.3 | -170.9 | 0 | 0 | 112.3 | K887 E888 F889 L894 R895 | K887-E891 WeakPolarHBondContact O-CG 3.31Å; K887-E891 PolarHBondContact O-N 3.35Å; E888-E891 PolarHBondContact O-N 3.09Å; F889-E891 PolarHBondContact O-N 3.19Å; E891-L894 PolarHBondContact O-N 3.02Å; E891-R895 WeakPolarHBondContact O-CB 3.48Å; E891-R895 PolarHBondContact O-N 3.35Å |
| 892 | A | 88.9 | Confident | 88 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 7% | 0.066 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L872 I873 E888 F889 V890 R895 Y896 | L872-A892 HydrophobicContact CB-CB 4.08Å; L872-A892 HydrophobicContact CD1-CB 4.48Å; I873-A892 HydrophobicContact CG2-CB 4.42Å; E888-A892 VanDerWaalsContact O-CB 3.23Å; E888-A892 WeakPolarHBondContact O-CB 3.45Å; E888-A892 PolarHBondContact O-N 3.36Å; F889-A892 PolarHBondContact O-N 2.84Å; V890-A892 PolarHBondContact O-N 3Å; A892-R895 PolarHBondContact O-N 3.25Å; A892-Y896 WeakPolarHBondContact O-CB 3.38Å; A892-Y896 PolarHBondContact O-N 2.85Å |
| 893 | Y | 90.3 | Very high | 88.1 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 11% | 0.106 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 174.5 | -168.5 | -79.8 | 0 | 0 | 0 | 111.3 | F827 E834 L838 I859 L872 F889 V890 R895 Y896 V897 | F827-Y893 AromaticContact CE1-CE1 3.95Å; F827-Y893 HydrophobicContact CE1-CE1 3.95Å; F827-Y893 HydrophobicContact CE2-CE1 4.49Å; F827-Y893 AromaticContact CZ-CE1 3.75Å; F827-Y893 HydrophobicContact CZ-CE1 3.75Å; E834-Y893 PolarHBondContact OE2-OH 3.45Å; L838-Y893 HydrophobicContact CD1-CD1 3.75Å; L838-Y893 HydrophobicContact CD1-CE1 4.09Å; L838-Y893 HydrophobicContact CD1-CG 4.26Å; I859-Y893 HydrophobicContact CD1-CE2 4.49Å; I859-Y893 HydrophobicContact CG2-CD2 3.75Å; I859-Y893 HydrophobicContact CG2-CE2 3.67Å; L872-Y893 HydrophobicContact CD1-CD2 4.32Å; F889-Y893 HydrophobicContact CZ-CD2 4.43Å; F889-Y893 WeakPolarHBondContact O-CB 3.42Å; F889-Y893 PolarHBondContact O-N 2.82Å; V890-Y893 PolarHBondContact O-N 3.18Å; Y893-R895 PolarHBondContact O-N 3.1Å; Y893-Y896 PolarHBondContact O-N 3.16Å; Y893-V897 HydrophobicContact CD1-CG2 3.98Å; Y893-V897 HydrophobicContact CE1-CG2 3.7Å; Y893-V897 WeakPolarHBondContact O-CG2 3.45Å; Y893-V897 PolarHBondContact O-N 3.31Å |
| 894 | L | 90.2 | Very high | 88.2 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 177.7 | -68.5 | 173.8 | 0 | 0 | 0 | 111.6 | L824 F827 V890 E891 Y896 V897 F898 | L824-L894 HydrophobicContact CB-CD1 4.2Å; L824-L894 HydrophobicContact CD1-CD1 4.45Å; L824-L894 HydrophobicContact CD1-CD2 4.37Å; F827-L894 HydrophobicContact CB-CD2 3.49Å; F827-L894 VanDerWaalsContact CB-CD2 3.49Å; F827-L894 HydrophobicContact CD1-CD2 4.12Å; F827-L894 HydrophobicContact CD2-CD2 4.43Å; F827-L894 HydrophobicContact CG-CD2 3.77Å; V890-L894 HydrophobicContact CG1-CD1 4.04Å; V890-L894 HydrophobicContact CG1-CG 4.4Å; V890-L894 VanDerWaalsContact O-CG 3.27Å; V890-L894 WeakPolarHBondContact O-CG 3.37Å; V890-L894 PolarHBondContact O-N 3.24Å; E891-L894 PolarHBondContact O-N 3.02Å; L894-Y896 VanDerWaalsContact C-N 3.32Å; L894-Y896 PolarHBondContact O-N 3.48Å; L894-V897 PolarHBondContact O-N 3.43Å; L894-F898 HydrophobicContact CD2-CE2 4.13Å; L894-F898 WeakPolarHBondContact O-CD2 3.43Å; L894-F898 PolarHBondContact O-N 2.76Å |
| 895 | R | 88.5 | Confident | 88.3 | Confident | 125 Ų | 125 | 49.3 Ų | 49.3 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 174.9 | -173.5 | -178.3 | 69 | -166.2 | -7.4 | 111.2 | L872 E891 A892 Y893 S899 D900 | L872-R895 PolarHBondContact O-NH2 2.89Å; E891-R895 WeakPolarHBondContact O-CB 3.48Å; E891-R895 PolarHBondContact O-N 3.35Å; A892-R895 PolarHBondContact O-N 3.25Å; Y893-R895 PolarHBondContact O-N 3.1Å; R895-S899 WeakPolarHBondContact O-CA 3.3Å; R895-S899 VanDerWaalsContact O-CB 3.25Å; R895-S899 WeakPolarHBondContact O-CB 3.41Å; R895-S899 PolarHBondContact O-N 3.42Å; R895-D900 IonicContact NE-OD2 3.11Å; R895-D900 PolarHBondContact NE-OD2 3.29Å; R895-D900 PolarHBondContact O-N 2.88Å |
| 896 | Y | 89.1 | Confident | 88.3 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -60.6 | -53.4 | 177.8 | 171.3 | -96.3 | 0 | 0 | 0 | 111.5 | I859 K870 L872 A892 Y893 L894 F898 D900 S901 | I859-Y896 HydrophobicContact CD1-CD1 3.41Å; I859-Y896 VanDerWaalsContact CD1-CD1 3.41Å; I859-Y896 HydrophobicContact CD1-CE1 3.33Å; I859-Y896 HydrophobicContact CD1-CG 4.21Å; K870-Y896 HydrophobicContact CB-CE2 4.43Å; K870-Y896 HydrophobicContact CG-CE2 4.4Å; L872-Y896 HydrophobicContact CD2-CD1 4.33Å; L872-Y896 HydrophobicContact CD2-CD2 4.46Å; L872-Y896 HydrophobicContact CD2-CG 3.86Å; A892-Y896 WeakPolarHBondContact O-CB 3.38Å; A892-Y896 PolarHBondContact O-N 2.85Å; Y893-Y896 PolarHBondContact O-N 3.16Å; L894-Y896 VanDerWaalsContact C-N 3.32Å; L894-Y896 PolarHBondContact O-N 3.48Å; Y896-F898 PolarHBondContact O-N 2.91Å; Y896-D900 HydrophobicContact CD2-CB 4.14Å; Y896-D900 PolarHBondContact O-N 2.96Å; Y896-S901 WeakPolarHBondContact O-CB 3.31Å; Y896-S901 PolarHBondContact O-N 2.78Å; Y896-S901 PolarHBondContact O-OG 3.33Å |
| 897 | V | 87.8 | Confident | 88.4 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -62.8 | -42.4 | -175.6 | 172 | 0 | 0 | 0 | 0 | 113.1 | W776 F827 L830 Y893 L894 S901 | W776-V897 PolarHBondContact NE1-O 2.92Å; F827-V897 HydrophobicContact CD2-CG1 4.28Å; F827-V897 HydrophobicContact CE2-CG1 3.95Å; F827-V897 HydrophobicContact CE2-CG2 4.41Å; L830-V897 HydrophobicContact CD2-CG1 4.44Å; Y893-V897 HydrophobicContact CD1-CG2 3.98Å; Y893-V897 HydrophobicContact CE1-CG2 3.7Å; Y893-V897 WeakPolarHBondContact O-CG2 3.45Å; Y893-V897 PolarHBondContact O-N 3.31Å; L894-V897 PolarHBondContact O-N 3.43Å; V897-S901 PolarHBondContact O-OG 2.78Å; V897-S901 VanDerWaalsContact O-OG 3.11Å |
| 898 | F | 88.6 | Confident | 88.4 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -94.7 | -20.1 | -173.6 | -71 | -62 | 0 | 0 | 0 | 114.1 | W776 A812 K816 P822 D826 F827 L830 L894 Y896 V902 | W776-F898 AromaticContact CE2-CD1 3.98Å; W776-F898 AromaticContact CH2-CD1 3.86Å; W776-F898 HydrophobicContact CH2-CD1 3.86Å; W776-F898 HydrophobicContact CH2-CE1 4.4Å; W776-F898 AromaticContact CZ2-CD1 3.54Å; W776-F898 HydrophobicContact CZ2-CD1 3.54Å; W776-F898 HydrophobicContact CZ2-CE1 4.3Å; A812-F898 HydrophobicContact CB-CD1 3.79Å; A812-F898 HydrophobicContact CB-CE1 3.35Å; A812-F898 HydrophobicContact CB-CZ 3.9Å; K816-F898 WeakPolarHBondContact CD-O 3.38Å; K816-F898 WeakPolarHBondContact CE-O 3.33Å; K816-F898 PolarHBondContact NZ-O 3.41Å; P822-F898 HydrophobicContact CB-CB 4.35Å; P822-F898 HydrophobicContact CB-CD1 4.49Å; P822-F898 HydrophobicContact CB-CD2 3.6Å; P822-F898 HydrophobicContact CB-CE2 3.91Å; P822-F898 HydrophobicContact CB-CG 3.92Å; P822-F898 HydrophobicContact CB-CZ 4.49Å; P822-F898 HydrophobicContact CG-CB 3.96Å; P822-F898 HydrophobicContact CG-CD1 4.48Å; P822-F898 HydrophobicContact CG-CD2 4.16Å; P822-F898 HydrophobicContact CG-CG 3.97Å; D826-F898 HydrophobicContact CB-CZ 4.39Å; F827-F898 HydrophobicContact CB-CE2 3.95Å; F827-F898 HydrophobicContact CB-CZ 4.17Å; F827-F898 HydrophobicContact CD2-CE2 4.1Å; F827-F898 HydrophobicContact CD2-CZ 4.05Å; F827-F898 HydrophobicContact CG-CE2 4.45Å; L830-F898 HydrophobicContact CD2-CE1 3.94Å; L830-F898 HydrophobicContact CD2-CZ 4.29Å; L894-F898 HydrophobicContact CD2-CE2 4.13Å; L894-F898 WeakPolarHBondContact O-CD2 3.43Å; L894-F898 PolarHBondContact O-N 2.76Å; Y896-F898 PolarHBondContact O-N 2.91Å; F898-V902 WeakPolarHBondContact O-CG2 3.43Å |
| 899 | S | 85.7 | Confident | 88.4 | Confident | 38 Ų | 38 | 39.4 Ų | 39.4 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -127.7 | -55.6 | -173.3 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | K816 R895 S903 | K816-S899 PolarHBondContact NZ-OG 3.37Å; K816-S899 VanDerWaalsContact NZ-OG 3.13Å; R895-S899 WeakPolarHBondContact O-CA 3.3Å; R895-S899 VanDerWaalsContact O-CB 3.25Å; R895-S899 WeakPolarHBondContact O-CB 3.41Å; R895-S899 PolarHBondContact O-N 3.42Å; S899-S903 VanDerWaalsContact O-CA 3.28Å; S899-S903 WeakPolarHBondContact O-CA 3.03Å; S899-S903 VanDerWaalsContact O-CB 3.24Å; S899-S903 WeakPolarHBondContact O-CB 3.35Å; S899-S903 PolarHBondContact O-N 2.9Å |
| 900 | D | 85.8 | Confident | 88.4 | Confident | 83 Ų | 83 | 39.9 Ų | 39.9 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -72.6 | -40.2 | -169.9 | -54 | -31.2 | 0 | 0 | 0 | 112.1 | R895 Y896 V902 | R895-D900 IonicContact NE-OD2 3.11Å; R895-D900 PolarHBondContact NE-OD2 3.29Å; R895-D900 PolarHBondContact O-N 2.88Å; Y896-D900 HydrophobicContact CD2-CB 4.14Å; Y896-D900 PolarHBondContact O-N 2.96Å; D900-V902 VanDerWaalsContact C-N 3.33Å; D900-V902 PolarHBondContact O-N 2.77Å |
| 901 | S | 85.8 | Confident | 88.3 | Confident | 16 Ų | 16 | 42 Ų | 42 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -26.4 | -179 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | D779 Y896 V897 | D779-S901 VanDerWaalsContact OD1-CB 3.31Å; D779-S901 WeakPolarHBondContact OD1-CB 3.41Å; Y896-S901 WeakPolarHBondContact O-CB 3.31Å; Y896-S901 PolarHBondContact O-N 2.78Å; Y896-S901 PolarHBondContact O-OG 3.33Å; V897-S901 PolarHBondContact O-OG 2.78Å; V897-S901 VanDerWaalsContact O-OG 3.11Å |
| 902 | V | 87.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 14.6 | -169.5 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | W776 F777 F898 D900 E904 Q905 Y906 | W776-V902 HydrophobicContact CZ2-CG2 4.1Å; F777-V902 HydrophobicContact CB-CB 3.81Å; F777-V902 HydrophobicContact CB-CG1 3.48Å; F777-V902 VanDerWaalsContact CB-CG1 3.48Å; F777-V902 HydrophobicContact CG-CB 4.45Å; F898-V902 WeakPolarHBondContact O-CG2 3.43Å; D900-V902 VanDerWaalsContact C-N 3.33Å; D900-V902 PolarHBondContact O-N 2.77Å; V902-E904 PolarHBondContact O-N 2.89Å; V902-Q905 VanDerWaalsContact CA-OE1 3.29Å; V902-Q905 PolarHBondContact O-N 3.03Å; V902-Q905 PolarHBondContact O-OE1 2.87Å; V902-Y906 WeakPolarHBondContact O-CB 3.34Å; V902-Y906 PolarHBondContact O-N 3.04Å |
| 903 | S | 86.2 | Confident | 88.1 | Confident | 71 Ų | 71 | 35.5 Ų | 35.5 | 50% | 0.497 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.3 | -48.2 | -169.6 | -166.2 | 0 | 0 | 0 | 0 | 113 | S899 S907 | S899-S903 VanDerWaalsContact O-CA 3.28Å; S899-S903 WeakPolarHBondContact O-CA 3.03Å; S899-S903 VanDerWaalsContact O-CB 3.24Å; S899-S903 WeakPolarHBondContact O-CB 3.35Å; S899-S903 PolarHBondContact O-N 2.9Å; S903-S907 WeakPolarHBondContact O-CB 3.43Å; S903-S907 PolarHBondContact O-N 3.31Å |
| 904 | E | 86.2 | Confident | 87.9 | Confident | 127 Ų | 127 | 38 Ų | 38 | 59% | 0.593 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -69.5 | -45.5 | -177.2 | -64.1 | -169.3 | 178.5 | 0 | 0 | 112 | Q785 V902 S907 A908 | Q785-E904 PolarHBondContact NE2-OE2 3.16Å; V902-E904 PolarHBondContact O-N 2.89Å; E904-S907 PolarHBondContact O-N 3.21Å; E904-A908 PolarHBondContact O-N 3.12Å |
| 905 | Q | 88.4 | Confident | 87.6 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | -179.3 | -57.1 | 85.5 | -19.2 | 0 | 0 | 110.3 | F777 S778 F788 V902 A908 F909 | F777-Q905 HydrophobicContact CD1-CB 4.03Å; S778-Q905 PolarHBondContact O-NE2 2.87Å; F788-Q905 HydrophobicContact CD1-CB 4.17Å; F788-Q905 HydrophobicContact CD2-CB 4.15Å; F788-Q905 HydrophobicContact CD2-CG 4.25Å; F788-Q905 HydrophobicContact CE1-CB 4.09Å; F788-Q905 HydrophobicContact CE1-CG 4.4Å; F788-Q905 HydrophobicContact CE2-CB 4.06Å; F788-Q905 HydrophobicContact CE2-CG 3.76Å; F788-Q905 HydrophobicContact CG-CB 4.19Å; F788-Q905 HydrophobicContact CZ-CB 4.02Å; F788-Q905 HydrophobicContact CZ-CG 3.84Å; V902-Q905 VanDerWaalsContact CA-OE1 3.29Å; V902-Q905 PolarHBondContact O-N 3.03Å; V902-Q905 PolarHBondContact O-OE1 2.87Å; Q905-A908 PolarHBondContact O-N 3.45Å; Q905-F909 WeakPolarHBondContact O-CB 3.38Å; Q905-F909 PolarHBondContact O-N 3.48Å |
| 906 | Y | 89.4 | Confident | 87.2 | Confident | 30 Ų | 30 | 34 Ų | 34 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.7 | 175.2 | -97.6 | 0 | 0 | 0 | 111.9 | F777 L813 K816 L817 V902 A908 F909 S910 | F777-Y906 HydrophobicContact CE2-CD2 4.04Å; F777-Y906 HydrophobicContact CZ-CD2 4.26Å; L813-Y906 HydrophobicContact CD1-CD2 4.34Å; L813-Y906 HydrophobicContact CD1-CE2 4.09Å; K816-Y906 HydrophobicContact CB-CE1 4.13Å; K816-Y906 HydrophobicContact CB-CE2 3.65Å; K816-Y906 VanDerWaalsContact CB-CZ 3.42Å; K816-Y906 VanDerWaalsContact CB-OH 3.28Å; K816-Y906 WeakPolarHBondContact CB-OH 3.24Å; K816-Y906 HydrophobicContact CD-CD2 4.23Å; K816-Y906 HydrophobicContact CD-CE2 4.12Å; K816-Y906 VanDerWaalsContact CE-CD1 3.46Å; K816-Y906 PolarHBondContact O-OH 2.78Å; L817-Y906 WeakPolarHBondContact CA-OH 3.49Å; L817-Y906 PolarHBondContact N-OH 3.37Å; L817-Y906 VanDerWaalsContact N-OH 3.11Å; V902-Y906 WeakPolarHBondContact O-CB 3.34Å; V902-Y906 PolarHBondContact O-N 3.04Å; Y906-A908 VanDerWaalsContact C-N 3.35Å; Y906-A908 PolarHBondContact O-N 2.83Å; Y906-F909 PolarHBondContact O-N 2.68Å; Y906-S910 VanDerWaalsContact O-CB 3.3Å; Y906-S910 WeakPolarHBondContact O-CB 3.49Å; Y906-S910 PolarHBondContact O-N 2.78Å; Y906-S910 PolarHBondContact O-OG 3.43Å; Y906-S910 VanDerWaalsContact O-OG 3.07Å |
| 907 | S | 89.3 | Confident | 86.5 | Confident | 69 Ų | 69 | 33.4 Ų | 33.4 | 48% | 0.483 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 177.4 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | S903 E904 S910 A911 | S903-S907 WeakPolarHBondContact O-CB 3.43Å; S903-S907 PolarHBondContact O-N 3.31Å; E904-S907 PolarHBondContact O-N 3.21Å; S907-S910 PolarHBondContact O-N 3.07Å; S907-S910 PolarHBondContact O-OG 2.98Å; S907-A911 VanDerWaalsContact O-CB 3.3Å; S907-A911 WeakPolarHBondContact O-CB 3.27Å; S907-A911 PolarHBondContact O-N 3.43Å |
| 908 | A | 88.9 | Confident | 85.6 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 12% | 0.124 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q785 F788 H789 E904 Q905 Y906 A911 G912 | Q785-A908 HydrophobicContact CB-CB 4.34Å; Q785-A908 WeakPolarHBondContact O-CB 3.46Å; F788-A908 HydrophobicContact CB-CB 3.97Å; H789-A908 VanDerWaalsContact CA-O 3.28Å; H789-A908 WeakPolarHBondContact CA-O 3.35Å; H789-A908 HydrophobicContact CB-CB 4.46Å; H789-A908 PolarHBondContact ND1-O 3.49Å; E904-A908 PolarHBondContact O-N 3.12Å; Q905-A908 PolarHBondContact O-N 3.45Å; Y906-A908 VanDerWaalsContact C-N 3.35Å; Y906-A908 PolarHBondContact O-N 2.83Å; A908-A911 PolarHBondContact O-N 3.03Å; A908-G912 PolarHBondContact O-N 3.2Å; A908-G912 VanDerWaalsContact O-N 3.11Å |
| 909 | F | 90 | Very high | 84.9 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -50.3 | 176.5 | 174.3 | -92.6 | 0 | 0 | 0 | 112.7 | F777 F788 I791 G792 L813 L817 Q905 Y906 A911 G912 F913 | F777-F909 HydrophobicContact CE1-CB 4Å; F777-F909 HydrophobicContact CE1-CG 4.15Å; F777-F909 HydrophobicContact CZ-CB 4.09Å; F777-F909 AromaticContact CZ-CD1 3.97Å; F777-F909 HydrophobicContact CZ-CD1 3.97Å; F777-F909 HydrophobicContact CZ-CD2 4.42Å; F777-F909 AromaticContact CZ-CG 3.9Å; F777-F909 HydrophobicContact CZ-CG 3.9Å; F788-F909 HydrophobicContact CB-CB 4.36Å; F788-F909 WeakPolarHBondContact O-CA 3.29Å; I791-F909 HydrophobicContact CB-CD2 4.42Å; I791-F909 HydrophobicContact CG2-CD2 4.21Å; I791-F909 HydrophobicContact CG2-CE2 3.95Å; G792-F909 WeakPolarHBondContact CA-O 3.3Å; L813-F909 HydrophobicContact CD1-CD1 4.34Å; L813-F909 HydrophobicContact CD1-CE1 3.88Å; L813-F909 HydrophobicContact CD2-CE1 4.3Å; L813-F909 HydrophobicContact CD2-CZ 4.33Å; L813-F909 HydrophobicContact CG-CE1 4.47Å; L817-F909 HydrophobicContact CD1-CE1 4.49Å; L817-F909 HydrophobicContact CD2-CE1 4.25Å; Q905-F909 WeakPolarHBondContact O-CB 3.38Å; Q905-F909 PolarHBondContact O-N 3.48Å; Y906-F909 PolarHBondContact O-N 2.68Å; F909-A911 VanDerWaalsContact C-N 3.35Å; F909-A911 PolarHBondContact O-N 3.32Å; F909-G912 PolarHBondContact O-N 3.16Å; F909-G912 VanDerWaalsContact O-N 3.15Å; F909-F913 PolarHBondContact O-N 3.4Å |
| 910 | S | 89.9 | Confident | 84.3 | Confident | 19 Ų | 19 | 40 Ų | 40 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -39.5 | -179 | 68.3 | 0 | 0 | 0 | 0 | 112 | Y906 S907 G912 F913 L914 | Y906-S910 VanDerWaalsContact O-CB 3.3Å; Y906-S910 WeakPolarHBondContact O-CB 3.49Å; Y906-S910 PolarHBondContact O-N 2.78Å; Y906-S910 PolarHBondContact O-OG 3.43Å; Y906-S910 VanDerWaalsContact O-OG 3.07Å; S907-S910 PolarHBondContact O-N 3.07Å; S907-S910 PolarHBondContact O-OG 2.98Å; S910-G912 VanDerWaalsContact C-N 3.31Å; S910-G912 PolarHBondContact O-N 2.82Å; S910-F913 PolarHBondContact O-N 3.18Å; S910-L914 WeakPolarHBondContact O-CB 3.46Å; S910-L914 WeakPolarHBondContact O-CG 3.32Å; S910-L914 PolarHBondContact O-N 3.36Å |
| 911 | A | 88.3 | Confident | 84 | Confident | 51 Ų | 51 | 36.3 Ų | 36.3 | 42% | 0.421 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S907 A908 F909 K915 | S907-A911 VanDerWaalsContact O-CB 3.3Å; S907-A911 WeakPolarHBondContact O-CB 3.27Å; S907-A911 PolarHBondContact O-N 3.43Å; A908-A911 PolarHBondContact O-N 3.03Å; F909-A911 VanDerWaalsContact C-N 3.35Å; F909-A911 PolarHBondContact O-N 3.32Å; A911-K915 WeakPolarHBondContact O-CB 3.24Å; A911-K915 PolarHBondContact O-N 2.93Å |
| 912 | G | 86.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.9 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H789 G792 I793 A908 F909 S910 K915 | H789-G912 WeakPolarHBondContact CE1-CA 3.46Å; H789-G912 PolarHBondContact CE1-N 2.82Å; H789-G912 VanDerWaalsContact ND1-CA 3.35Å; H789-G912 WeakPolarHBondContact ND1-CA 3.45Å; H789-G912 PolarHBondContact ND1-N 3.08Å; H789-G912 VanDerWaalsContact ND1-N 3.2Å; H789-G912 WeakPolarHBondContact O-CA 3.32Å; G792-G912 VanDerWaalsContact C-C 3.49Å; I793-G912 WeakPolarHBondContact CG1-O 3.27Å; A908-G912 PolarHBondContact O-N 3.2Å; A908-G912 VanDerWaalsContact O-N 3.11Å; F909-G912 PolarHBondContact O-N 3.16Å; F909-G912 VanDerWaalsContact O-N 3.15Å; S910-G912 VanDerWaalsContact C-N 3.31Å; S910-G912 PolarHBondContact O-N 2.82Å; G912-K915 VanDerWaalsContact O-CB 3.26Å; G912-K915 WeakPolarHBondContact O-CB 3.27Å; G912-K915 PolarHBondContact O-N 3.44Å |
| 913 | F | 87.9 | Confident | 83.5 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 2% | 0.022 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -51.5 | 178.3 | -176.2 | -90.1 | 0 | 0 | 0 | 112.5 | G792 C795 I799 L817 F909 S910 K915 V916 C917 L922 | G792-F913 VanDerWaalsContact O-CA 3.26Å; G792-F913 WeakPolarHBondContact O-CA 3.33Å; C795-F913 HydrophobicContact CB-CD2 4.03Å; C795-F913 HydrophobicContact CB-CE2 4.32Å; I799-F913 HydrophobicContact CD1-CE2 3.43Å; I799-F913 VanDerWaalsContact CD1-CE2 3.43Å; I799-F913 HydrophobicContact CD1-CZ 3.47Å; I799-F913 VanDerWaalsContact CD1-CZ 3.47Å; L817-F913 HydrophobicContact CD1-CD1 4.26Å; L817-F913 HydrophobicContact CD1-CE1 4.1Å; L817-F913 HydrophobicContact CD1-CE2 4.43Å; L817-F913 HydrophobicContact CD1-CZ 4.18Å; L817-F913 HydrophobicContact CD2-CB 4.37Å; L817-F913 HydrophobicContact CD2-CD1 3.88Å; L817-F913 HydrophobicContact CD2-CE1 4.43Å; L817-F913 HydrophobicContact CD2-CG 4.16Å; F909-F913 PolarHBondContact O-N 3.4Å; S910-F913 PolarHBondContact O-N 3.18Å; F913-K915 PolarHBondContact O-N 3.41Å; F913-V916 PolarHBondContact O-N 3.46Å; F913-C917 HydrophobicContact CE1-CB 4.19Å; F913-C917 HydrophobicContact CZ-CB 4.33Å; F913-C917 PolarHBondContact O-N 2.89Å; F913-L922 HydrophobicContact CE1-CD1 4.09Å |
| 914 | L | 86.3 | Confident | 83.4 | Confident | 81 Ų | 81 | 38 Ų | 38 | 42% | 0.424 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69 | -13.6 | -179.6 | -66.9 | 172.9 | 0 | 0 | 0 | 113.1 | S910 G918 L922 | S910-L914 WeakPolarHBondContact O-CB 3.46Å; S910-L914 WeakPolarHBondContact O-CG 3.32Å; S910-L914 PolarHBondContact O-N 3.36Å; L914-G918 WeakPolarHBondContact O-CA 3.42Å; L914-G918 PolarHBondContact O-N 3.22Å; L914-L922 HydrophobicContact CD2-CD1 3.97Å |
| 915 | K | 83.6 | Confident | 83.3 | Confident | 55 Ų | 55 | 32.3 Ų | 32.3 | 24% | 0.239 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 174.3 | -166.3 | 174.5 | -174.2 | 175.7 | 0 | 112.1 | D724 L727 I793 A911 G912 F913 | D724-K915 WeakPolarHBondContact OD1-CE 3.49Å; D724-K915 IonicContact OD1-NZ 3.57Å; D724-K915 PolarHBondContact OD1-NZ 2.87Å; L727-K915 HydrophobicContact CD1-CD 3.89Å; L727-K915 HydrophobicContact CD1-CG 4.25Å; I793-K915 HydrophobicContact CD1-CD 4.29Å; A911-K915 WeakPolarHBondContact O-CB 3.24Å; A911-K915 PolarHBondContact O-N 2.93Å; G912-K915 VanDerWaalsContact O-CB 3.26Å; G912-K915 WeakPolarHBondContact O-CB 3.27Å; G912-K915 PolarHBondContact O-N 3.44Å; F913-K915 PolarHBondContact O-N 3.41Å |
| 916 | V | 80.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -97.2 | -61.3 | -177.6 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | L727 I793 L797 Y800 F913 G918 | L727-V916 HydrophobicContact CB-CG2 4.27Å; L727-V916 HydrophobicContact CD1-CG2 4.32Å; I793-V916 HydrophobicContact CB-CG2 4.47Å; I793-V916 HydrophobicContact CG2-CG2 3.93Å; L797-V916 HydrophobicContact CD2-CG1 3.76Å; L797-V916 HydrophobicContact CD2-CG2 4.43Å; L797-V916 HydrophobicContact CG-CG1 4.03Å; L797-V916 HydrophobicContact CG-CG2 4.22Å; Y800-V916 HydrophobicContact CD1-CG1 4.44Å; Y800-V916 HydrophobicContact CG-CG1 4.12Å; F913-V916 PolarHBondContact O-N 3.46Å; V916-G918 VanDerWaalsContact C-N 3.27Å; V916-G918 PolarHBondContact O-N 2.85Å; V916-G918 VanDerWaalsContact O-N 3.16Å |
| 917 | C | 75.4 | Confident | 83.1 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -89.7 | 67.3 | 173 | -77.2 | 0 | 0 | 0 | 0 | 109.2 | G796 F913 L922 | G796-C917 PolarHBondContact O-SG 3.48Å; F913-C917 HydrophobicContact CE1-CB 4.19Å; F913-C917 HydrophobicContact CZ-CB 4.33Å; F913-C917 PolarHBondContact O-N 2.89Å; C917-L922 WeakPolarHBondContact O-CD1 3.41Å |
| 918 | G | 67.7 | Low | 82.9 | Confident | 19 Ų | 19 | 33.2 Ų | 33.2 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | trans | -110.2 | 139.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L914 V916 | L914-G918 WeakPolarHBondContact O-CA 3.42Å; L914-G918 PolarHBondContact O-N 3.22Å; V916-G918 VanDerWaalsContact C-N 3.27Å; V916-G918 PolarHBondContact O-N 2.85Å; V916-G918 VanDerWaalsContact O-N 3.16Å | ||
| 919 | G | 73.9 | Confident | 82.7 | Confident | 46 Ų | 46 | 32.7 Ų | 32.7 | 47% | 0.474 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 153.6 | 172.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114 | I921 L922 | G919-I921 PolarHBondContact O-N 2.8Å; G919-L922 PolarHBondContact O-N 2.98Å |
| 920 | E | 72.4 | Confident | 82.5 | Confident | 117 Ų | 117 | 32.6 Ų | 32.6 | 55% | 0.547 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.3 | 176.2 | -65.8 | 179 | 124.2 | 0 | 0 | 112.4 | K631 L922 S923 | K631-E920 WeakPolarHBondContact CE-OE2 3.33Å; K631-E920 IonicContact NZ-OE1 2.93Å; K631-E920 PolarHBondContact NZ-OE1 3.1Å; K631-E920 IonicContact NZ-OE2 2.67Å; K631-E920 PolarHBondContact NZ-OE2 3.09Å; E920-L922 VanDerWaalsContact C-N 3.27Å; E920-L922 PolarHBondContact O-N 2.47Å; E920-S923 WeakPolarHBondContact O-CB 3.28Å; E920-S923 PolarHBondContact O-N 2.92Å; E920-S923 VanDerWaalsContact O-N 3.12Å; E920-S923 PolarHBondContact O-OG 3.08Å |
| 921 | I | 81.4 | Confident | 82.2 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -37.2 | 178.4 | -170.3 | 76.3 | 0 | 0 | 0 | 112.2 | Y624 M665 L666 G919 S923 L924 F925 | Y624-I921 HydrophobicContact CD2-CD1 4.35Å; Y624-I921 HydrophobicContact CE2-CD1 3.58Å; M665-I921 HydrophobicContact CB-CD1 3.85Å; M665-I921 HydrophobicContact CE-CD1 3.88Å; L666-I921 HydrophobicContact CB-CG1 4.47Å; L666-I921 HydrophobicContact CD1-CB 4.45Å; L666-I921 HydrophobicContact CD1-CG1 4.04Å; L666-I921 HydrophobicContact CD1-CG2 3.53Å; G919-I921 PolarHBondContact O-N 2.8Å; I921-S923 VanDerWaalsContact C-N 3.29Å; I921-S923 PolarHBondContact O-N 3.05Å; I921-L924 HydrophobicContact CD1-CD1 3.85Å; I921-L924 VanDerWaalsContact O-CB 3.29Å; I921-L924 WeakPolarHBondContact O-CB 3.43Å; I921-L924 WeakPolarHBondContact O-CG 3.07Å; I921-L924 PolarHBondContact O-N 3.07Å; I921-L924 VanDerWaalsContact O-N 3.12Å; I921-F925 HydrophobicContact CG1-CE2 4.32Å; I921-F925 WeakPolarHBondContact O-CD2 3.32Å |
| 922 | L | 81.6 | Confident | 81.8 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -64.7 | -35 | 178.8 | -73.4 | -175.5 | 0 | 0 | 0 | 112 | L666 L818 F913 L914 C917 G919 E920 L924 F925 L930 | L666-L922 HydrophobicContact CD1-CD2 4.45Å; L818-L922 HydrophobicContact CD2-CB 4.29Å; L818-L922 WeakPolarHBondContact CD2-O 3.46Å; F913-L922 HydrophobicContact CE1-CD1 4.09Å; L914-L922 HydrophobicContact CD2-CD1 3.97Å; C917-L922 WeakPolarHBondContact O-CD1 3.41Å; G919-L922 PolarHBondContact O-N 2.98Å; E920-L922 VanDerWaalsContact C-N 3.27Å; E920-L922 PolarHBondContact O-N 2.47Å; L922-L924 PolarHBondContact O-N 3.47Å; L922-L924 VanDerWaalsContact O-N 3.08Å; L922-F925 PolarHBondContact O-N 3.02Å; L922-F925 VanDerWaalsContact O-N 3.08Å; L922-L930 HydrophobicContact CD2-CD1 3.95Å |
| 923 | S | 80.8 | Confident | 81.5 | Confident | 90 Ų | 90 | 33.5 Ų | 33.5 | 63% | 0.629 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -64.6 | -13.3 | 177.5 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | E920 I921 | E920-S923 WeakPolarHBondContact O-CB 3.28Å; E920-S923 PolarHBondContact O-N 2.92Å; E920-S923 VanDerWaalsContact O-N 3.12Å; E920-S923 PolarHBondContact O-OG 3.08Å; I921-S923 VanDerWaalsContact C-N 3.29Å; I921-S923 PolarHBondContact O-N 3.05Å |
| 924 | L | 83.8 | Confident | 81 | Confident | 24 Ų | 24 | 33.5 Ų | 33.5 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -82.8 | -16.1 | 177.5 | -47.9 | -175.7 | 0 | 0 | 0 | 112.6 | W627 P654 K662 M665 I921 L922 | W627-L924 HydrophobicContact CH2-CD1 4.28Å; P654-L924 HydrophobicContact CB-CB 3.9Å; P654-L924 HydrophobicContact CB-CD2 4.5Å; P654-L924 HydrophobicContact CG-CB 3.84Å; P654-L924 HydrophobicContact CG-CD1 4.27Å; P654-L924 HydrophobicContact CG-CD2 3.53Å; P654-L924 HydrophobicContact CG-CG 4.05Å; K662-L924 WeakPolarHBondContact CE-O 3.49Å; K662-L924 PolarHBondContact NZ-O 2.64Å; M665-L924 HydrophobicContact CE-CD1 3.87Å; I921-L924 HydrophobicContact CD1-CD1 3.85Å; I921-L924 VanDerWaalsContact O-CB 3.29Å; I921-L924 WeakPolarHBondContact O-CB 3.43Å; I921-L924 WeakPolarHBondContact O-CG 3.07Å; I921-L924 PolarHBondContact O-N 3.07Å; I921-L924 VanDerWaalsContact O-N 3.12Å; L922-L924 PolarHBondContact O-N 3.47Å; L922-L924 VanDerWaalsContact O-N 3.08Å |
| 925 | F | 84.5 | Confident | 80.5 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -86.5 | 149.2 | -179.9 | -72.7 | -98.7 | 0 | 0 | 0 | 112 | K662 L666 L818 I921 L922 E929 L930 M933 | K662-F925 VanDerWaalsContact C-CZ 3.43Å; K662-F925 HydrophobicContact CB-CD1 3.93Å; K662-F925 HydrophobicContact CB-CE1 3.36Å; K662-F925 HydrophobicContact CB-CE2 4.23Å; K662-F925 HydrophobicContact CB-CZ 3.55Å; K662-F925 HydrophobicContact CD-CD1 4.12Å; K662-F925 HydrophobicContact CD-CE1 4.4Å; K662-F925 HydrophobicContact CD-CG 4.41Å; K662-F925 VanDerWaalsContact O-CZ 3.23Å; K662-F925 WeakPolarHBondContact O-CZ 3.43Å; L666-F925 HydrophobicContact CB-CE2 4.28Å; L666-F925 HydrophobicContact CB-CZ 4.04Å; L666-F925 HydrophobicContact CD2-CZ 4.44Å; L818-F925 WeakPolarHBondContact CD1-O 3.38Å; I921-F925 HydrophobicContact CG1-CE2 4.32Å; I921-F925 WeakPolarHBondContact O-CD2 3.32Å; L922-F925 PolarHBondContact O-N 3.02Å; L922-F925 VanDerWaalsContact O-N 3.08Å; F925-E929 WeakPolarHBondContact CA-OE2 3.31Å; F925-E929 HydrophobicContact CD1-CB 4.06Å; F925-L930 HydrophobicContact CB-CB 4.39Å; F925-M933 HydrophobicContact CE1-SD 4.17Å; F925-M933 HydrophobicContact CZ-SD 4.24Å |
| 926 | Q | 85.1 | Confident | 80.1 | Confident | 65 Ų | 65 | 27.9 Ų | 27.9 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | trans | -84.2 | 153.1 | 161.1 | -66.7 | -62.7 | -57.8 | 0 | 0 | 110.2 | Y606 S928 E929 L930 | Y606-Q926 HydrophobicContact CD1-CG 3.9Å; Y606-Q926 HydrophobicContact CD2-CG 4.45Å; Y606-Q926 HydrophobicContact CE1-CG 3.39Å; Y606-Q926 HydrophobicContact CE2-CG 4Å; Y606-Q926 HydrophobicContact CG-CG 4.41Å; Y606-Q926 VanDerWaalsContact CZ-CG 3.47Å; Q926-S928 VanDerWaalsContact C-N 3.25Å; Q926-S928 PolarHBondContact O-N 2.87Å; Q926-E929 HydrophobicContact CB-CB 4.41Å; Q926-E929 HydrophobicContact CB-CG 3.93Å; Q926-E929 PolarHBondContact N-OE2 3.18Å; Q926-E929 WeakPolarHBondContact O-CB 3.35Å; Q926-E929 PolarHBondContact O-N 2.88Å; Q926-L930 PolarHBondContact O-N 2.88Å | ||
| 927 | P | 87.1 | Confident | 79.6 | Confident | 11 Ų | 11 | 31.2 Ų | 31.2 | 7% | 0.071 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.7 | -40.3 | 179.2 | -25.9 | 32.3 | 0 | 0 | 0 | 113.8 | L811 K815 L818 L930 M931 | L811-P927 HydrophobicContact CD1-CB 3.97Å; L811-P927 HydrophobicContact CG-CB 4.48Å; K815-P927 HydrophobicContact CB-CB 4.45Å; K815-P927 HydrophobicContact CB-CG 4.43Å; K815-P927 HydrophobicContact CG-CB 3.54Å; K815-P927 HydrophobicContact CG-CG 3.56Å; L818-P927 HydrophobicContact CD1-CB 4.36Å; L818-P927 HydrophobicContact CD1-CG 4.01Å; P927-L930 PolarHBondContact O-N 3.03Å; P927-M931 WeakPolarHBondContact O-CB 3.45Å; P927-M931 PolarHBondContact O-N 3.42Å |
| 928 | S | 85.1 | Confident | 79.4 | Confident | 69 Ų | 69 | 34.5 Ų | 34.5 | 48% | 0.483 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70 | -33.2 | 178.3 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | Q926 A932 | Q926-S928 VanDerWaalsContact C-N 3.25Å; Q926-S928 PolarHBondContact O-N 2.87Å; S928-A932 VanDerWaalsContact O-CB 3.28Å; S928-A932 WeakPolarHBondContact O-CB 3.28Å; S928-A932 PolarHBondContact O-N 3.47Å |
| 929 | E | 85.6 | Confident | 79.7 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.8 | -42.3 | 175.6 | -62.1 | 167.4 | 166.6 | 0 | 0 | 110.5 | Y610 A659 K662 F925 Q926 A932 M933 | Y610-E929 WeakPolarHBondContact CE1-OE1 3.11Å; Y610-E929 VanDerWaalsContact CZ-OE1 3.22Å; Y610-E929 PolarHBondContact OH-OE1 2.85Å; A659-E929 HydrophobicContact CB-CB 4.16Å; A659-E929 HydrophobicContact CB-CG 4.06Å; K662-E929 VanDerWaalsContact CD-OE2 3.28Å; K662-E929 WeakPolarHBondContact CD-OE2 3.1Å; K662-E929 WeakPolarHBondContact CE-OE2 3.22Å; K662-E929 VanDerWaalsContact NZ-CD 3.27Å; K662-E929 IonicContact NZ-OE1 3.78Å; K662-E929 PolarHBondContact NZ-OE1 2.79Å; K662-E929 IonicContact NZ-OE2 3.94Å; K662-E929 PolarHBondContact NZ-OE2 2.81Å; F925-E929 WeakPolarHBondContact CA-OE2 3.31Å; F925-E929 HydrophobicContact CD1-CB 4.06Å; Q926-E929 HydrophobicContact CB-CB 4.41Å; Q926-E929 HydrophobicContact CB-CG 3.93Å; Q926-E929 PolarHBondContact N-OE2 3.18Å; Q926-E929 WeakPolarHBondContact O-CB 3.35Å; Q926-E929 PolarHBondContact O-N 2.88Å; E929-A932 PolarHBondContact O-N 2.9Å; E929-M933 WeakPolarHBondContact O-CB 3.36Å; E929-M933 PolarHBondContact O-N 2.78Å |
| 930 | L | 85.2 | Confident | 79.9 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | 176.5 | -173 | 68.4 | 0 | 0 | 0 | 110.3 | Y814 L818 L922 F925 Q926 P927 A932 M933 V934 | Y814-L930 HydrophobicContact CD1-CB 4.38Å; Y814-L930 HydrophobicContact CD1-CD2 3.9Å; Y814-L930 HydrophobicContact CD1-CG 3.9Å; L818-L930 HydrophobicContact CD1-CB 4.47Å; L818-L930 HydrophobicContact CD1-CD2 4.16Å; L818-L930 HydrophobicContact CD2-CD2 4.19Å; L818-L930 HydrophobicContact CG-CD2 4.03Å; L922-L930 HydrophobicContact CD2-CD1 3.95Å; F925-L930 HydrophobicContact CB-CB 4.39Å; Q926-L930 PolarHBondContact O-N 2.88Å; P927-L930 PolarHBondContact O-N 3.03Å; L930-A932 PolarHBondContact O-N 2.88Å; L930-M933 HydrophobicContact CD1-CE 3.62Å; L930-M933 WeakPolarHBondContact O-CB 3.18Å; L930-M933 PolarHBondContact O-N 3.16Å; L930-V934 WeakPolarHBondContact O-CG2 3.34Å; L930-V934 PolarHBondContact O-N 2.84Å; L930-V934 VanDerWaalsContact O-N 3.09Å |
| 931 | M | 84.9 | Confident | 80.3 | Confident | 42 Ų | 42 | 36.1 Ų | 36.1 | 21% | 0.207 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58 | -48.7 | 174.9 | -177.5 | 177.3 | -176.4 | 0 | 0 | 112 | L811 Y814 P927 M933 V934 V935 | L811-M931 HydrophobicContact CB-SD 4.34Å; L811-M931 HydrophobicContact CD1-CB 4.29Å; L811-M931 HydrophobicContact CD1-SD 4.01Å; Y814-M931 HydrophobicContact CD1-CB 4.33Å; Y814-M931 HydrophobicContact CD2-CB 3.6Å; Y814-M931 HydrophobicContact CD2-CG 3.82Å; Y814-M931 HydrophobicContact CD2-SD 4.2Å; Y814-M931 HydrophobicContact CE1-CB 4.39Å; Y814-M931 HydrophobicContact CE2-CB 3.69Å; Y814-M931 HydrophobicContact CE2-CG 3.47Å; Y814-M931 VanDerWaalsContact CE2-CG 3.47Å; Y814-M931 HydrophobicContact CE2-SD 4.09Å; Y814-M931 HydrophobicContact CG-CB 3.93Å; P927-M931 WeakPolarHBondContact O-CB 3.45Å; P927-M931 PolarHBondContact O-N 3.42Å; M931-M933 PolarHBondContact O-N 3.49Å; M931-V934 PolarHBondContact O-N 2.94Å; M931-V934 VanDerWaalsContact O-N 3.16Å; M931-V935 HydrophobicContact CG-CG2 4.16Å; M931-V935 WeakPolarHBondContact O-CB 3.39Å; M931-V935 PolarHBondContact O-N 2.86Å |
| 932 | A | 79.5 | Confident | 80.4 | Confident | 28 Ų | 28 | 37 Ų | 37 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -27.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | S928 E929 L930 G936 I992 | S928-A932 VanDerWaalsContact O-CB 3.28Å; S928-A932 WeakPolarHBondContact O-CB 3.28Å; S928-A932 PolarHBondContact O-N 3.47Å; E929-A932 PolarHBondContact O-N 2.9Å; L930-A932 PolarHBondContact O-N 2.88Å; A932-G936 CarbonylContact O-C 3.59Å; A932-G936 VanDerWaalsContact O-C 3.26Å; A932-G936 WeakPolarHBondContact O-CA 3.42Å; A932-G936 PolarHBondContact O-N 2.76Å; A932-I992 HydrophobicContact CB-CD1 4.39Å |
| 933 | M | 79.8 | Confident | 80.5 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.7 | -41.5 | 174.3 | 177.9 | -163.3 | 73.1 | 0 | 0 | 112.2 | T663 L666 I799 F925 E929 L930 M931 I992 | T663-M933 HydrophobicContact CG2-CG 3.94Å; T663-M933 HydrophobicContact CG2-SD 4.3Å; L666-M933 HydrophobicContact CD2-CE 3.67Å; L666-M933 HydrophobicContact CD2-SD 3.4Å; L666-M933 WeakPolarHBondContact CD2-SD 3.25Å; I799-M933 HydrophobicContact CD1-CE 4.39Å; I799-M933 HydrophobicContact CG1-CE 4.49Å; I799-M933 HydrophobicContact CG2-CE 3.55Å; I799-M933 HydrophobicContact CG2-SD 4.49Å; F925-M933 HydrophobicContact CE1-SD 4.17Å; F925-M933 HydrophobicContact CZ-SD 4.24Å; E929-M933 WeakPolarHBondContact O-CB 3.36Å; E929-M933 PolarHBondContact O-N 2.78Å; L930-M933 HydrophobicContact CD1-CE 3.62Å; L930-M933 WeakPolarHBondContact O-CB 3.18Å; L930-M933 PolarHBondContact O-N 3.16Å; M931-M933 PolarHBondContact O-N 3.49Å; M933-I992 HydrophobicContact CB-CD1 4.11Å |
| 934 | V | 77.8 | Confident | 80.5 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.3 | -49.5 | -178.8 | -178 | 0 | 0 | 0 | 0 | 111.4 | I799 V805 L807 Y814 L930 M931 | I799-V934 HydrophobicContact CD1-CG1 4.38Å; I799-V934 HydrophobicContact CD1-CG2 3.36Å; I799-V934 HydrophobicContact CG1-CG1 4.39Å; I799-V934 HydrophobicContact CG1-CG2 3.78Å; V805-V934 PolarHBondContact N-O 3.26Å; L807-V934 HydrophobicContact CD1-CG1 3.52Å; L807-V934 HydrophobicContact CG-CG1 4.13Å; Y814-V934 HydrophobicContact CE1-CB 4.11Å; Y814-V934 HydrophobicContact CE1-CG2 3.93Å; L930-V934 WeakPolarHBondContact O-CG2 3.34Å; L930-V934 PolarHBondContact O-N 2.84Å; L930-V934 VanDerWaalsContact O-N 3.09Å; M931-V934 PolarHBondContact O-N 2.94Å; M931-V934 VanDerWaalsContact O-N 3.16Å |
| 935 | V | 75.6 | Confident | 80.4 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -85.8 | -26.9 | -174.2 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | V804 L807 Y814 M931 R989 | V804-V935 WeakPolarHBondContact CG1-O 3.11Å; L807-V935 HydrophobicContact CB-CG2 4.39Å; Y814-V935 WeakPolarHBondContact OH-CG2 3.18Å; M931-V935 HydrophobicContact CG-CG2 4.16Å; M931-V935 WeakPolarHBondContact O-CB 3.39Å; M931-V935 PolarHBondContact O-N 2.86Å; V935-R989 HydrophobicContact CG1-CG 4.14Å; V935-R989 WeakPolarHBondContact O-CB 3.35Å; V935-R989 WeakPolarHBondContact O-CG 3.24Å |
| 936 | G | 73.9 | Confident | 80.5 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | trans | 93.9 | 179.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A932 I990 | A932-G936 CarbonylContact O-C 3.59Å; A932-G936 VanDerWaalsContact O-C 3.26Å; A932-G936 WeakPolarHBondContact O-CA 3.42Å; A932-G936 PolarHBondContact O-N 2.76Å; G936-I990 CarbonylContact C-O 3.57Å; G936-I990 WeakPolarHBondContact CA-O 3.46Å | ||
| 937 | N | 71.6 | Confident | 80.5 | Confident | 70 Ų | 70 | 48.2 Ų | 48.2 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -111.1 | 160.8 | -175.4 | -162.6 | -1.7 | 0 | 0 | 0 | 112 | I990 | N937-I990 PolarHBondContact N-O 3.44Å; N937-I990 WeakPolarHBondContact O-CG1 3.41Å; N937-I990 PolarHBondContact O-N 3.48Å |
| 938 | N | 70.8 | Confident | 80.4 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | trans | -108.4 | 14.8 | -178.5 | -66 | -26 | 0 | 0 | 0 | 113.7 | Y940 R989 | N938-Y940 HydrophobicContact CB-CE2 4.29Å; N938-Y940 WeakPolarHBondContact O-CD2 3.07Å; N938-Y940 WeakPolarHBondContact O-CE2 3.49Å; N938-Y940 PolarHBondContact O-N 3.12Å; N938-R989 PolarHBondContact ND2-NH1 2.8Å; N938-R989 WeakPolarHBondContact OD1-CD 3.26Å; N938-R989 PolarHBondContact OD1-NE 3.2Å; N938-R989 PolarHBondContact OD1-NH1 3.5Å | ||
| 939 | N | 72.9 | Confident | 80.4 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 65% | 0.652 | 24% | 0.24 | S | C | * | . | trans | -91.3 | 89.2 | -178.6 | -167.7 | 12.5 | 0 | 0 | 0 | 111 | N941 I990 | N939-N941 PolarHBondContact O-N 2.89Å; N939-I990 WeakPolarHBondContact O-CD1 2.96Å | ||
| 940 | Y | 78.9 | Confident | 80.5 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 14% | 0.137 | 26% | 0.258 | C | S | . | . | trans | -83 | 113.1 | -173.2 | -52.1 | -84.8 | 0 | 0 | 0 | 112.4 | N938 W942 L974 K978 L981 D988 I990 M995 | N938-Y940 HydrophobicContact CB-CE2 4.29Å; N938-Y940 WeakPolarHBondContact O-CD2 3.07Å; N938-Y940 WeakPolarHBondContact O-CE2 3.49Å; N938-Y940 PolarHBondContact O-N 3.12Å; Y940-W942 AromaticContact CD1-CH2 3.62Å; Y940-W942 HydrophobicContact CD1-CH2 3.62Å; Y940-W942 AromaticContact CD1-CZ2 3.48Å; Y940-W942 HydrophobicContact CD1-CZ2 3.48Å; Y940-W942 VanDerWaalsContact CD1-CZ2 3.48Å; Y940-W942 HydrophobicContact CD1-CZ3 4.5Å; Y940-W942 HydrophobicContact CD2-CZ2 4.47Å; Y940-W942 HydrophobicContact CE1-CH2 4.28Å; Y940-W942 HydrophobicContact CE1-CZ2 4.32Å; Y940-W942 HydrophobicContact CG-CH2 4.22Å; Y940-W942 AromaticContact CG-CZ2 3.59Å; Y940-W942 HydrophobicContact CG-CZ2 3.59Å; Y940-L974 HydrophobicContact CD2-CD1 4.26Å; Y940-K978 HydrophobicContact CE1-CG 4.36Å; Y940-K978 HydrophobicContact CE2-CD 4.41Å; Y940-K978 HydrophobicContact CE2-CG 4.29Å; Y940-K978 WeakPolarHBondContact OH-CE 3.15Å; Y940-L981 HydrophobicContact CD1-CD2 4.36Å; Y940-L981 HydrophobicContact CE1-CD2 3.91Å; Y940-D988 VanDerWaalsContact CE1-O 3.27Å; Y940-D988 WeakPolarHBondContact CE1-O 3.39Å; Y940-D988 PolarHBondContact OH-O 3.19Å; Y940-I990 HydrophobicContact CD1-CD1 3.51Å; Y940-I990 HydrophobicContact CD1-CG1 3.8Å; Y940-I990 HydrophobicContact CE1-CD1 3.9Å; Y940-I990 HydrophobicContact CE1-CG1 3.77Å; Y940-I990 HydrophobicContact CG-CD1 3.98Å; Y940-M995 HydrophobicContact CD1-CE 3.67Å; Y940-M995 HydrophobicContact CG-CE 4.36Å | ||
| 941 | N | 81.1 | Confident | 80.6 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | trans | -107.2 | 89 | 166.3 | -170 | -12.2 | 0 | 0 | 0 | 110.9 | N939 E943 E944 M945 M995 | N939-N941 PolarHBondContact O-N 2.89Å; N941-E943 VanDerWaalsContact C-N 3.27Å; N941-E943 PolarHBondContact O-N 3.09Å; N941-E943 PolarHBondContact OD1-N 3.03Å; N941-E944 HydrophobicContact CB-CB 4.36Å; N941-E944 WeakPolarHBondContact ND2-CG 3.43Å; N941-E944 PolarHBondContact ND2-OE1 3.11Å; N941-E944 VanDerWaalsContact ND2-OE1 3.16Å; N941-E944 PolarHBondContact ND2-OE2 3.22Å; N941-E944 PolarHBondContact O-N 3.38Å; N941-E944 PolarHBondContact OD1-N 3.32Å; N941-M945 PolarHBondContact O-N 2.94Å; N941-M995 WeakPolarHBondContact O-CB 3.16Å; N941-M995 VanDerWaalsContact O-CG 3.31Å; N941-M995 WeakPolarHBondContact O-CG 3.26Å | ||
| 942 | W | 83.8 | Confident | 80.6 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 10% | 0.095 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.9 | -23.8 | -175.5 | -55.7 | 108.1 | 0 | 0 | 0 | 113.8 | Y940 M945 E946 F969 L974 K977 L981 M995 | Y940-W942 AromaticContact CD1-CH2 3.62Å; Y940-W942 HydrophobicContact CD1-CH2 3.62Å; Y940-W942 AromaticContact CD1-CZ2 3.48Å; Y940-W942 HydrophobicContact CD1-CZ2 3.48Å; Y940-W942 VanDerWaalsContact CD1-CZ2 3.48Å; Y940-W942 HydrophobicContact CD1-CZ3 4.5Å; Y940-W942 HydrophobicContact CD2-CZ2 4.47Å; Y940-W942 HydrophobicContact CE1-CH2 4.28Å; Y940-W942 HydrophobicContact CE1-CZ2 4.32Å; Y940-W942 HydrophobicContact CG-CH2 4.22Å; Y940-W942 AromaticContact CG-CZ2 3.59Å; Y940-W942 HydrophobicContact CG-CZ2 3.59Å; W942-M945 HydrophobicContact CE3-CE 3.88Å; W942-M945 HydrophobicContact CE3-SD 3.95Å; W942-M945 HydrophobicContact CZ3-CE 4.26Å; W942-M945 HydrophobicContact CZ3-SD 4.05Å; W942-M945 WeakPolarHBondContact O-CB 3.4Å; W942-M945 PolarHBondContact O-N 2.84Å; W942-E946 PolarHBondContact O-N 3.31Å; W942-F969 HydrophobicContact CB-CE1 4.24Å; W942-F969 HydrophobicContact CD2-CE1 4.05Å; W942-F969 HydrophobicContact CD2-CZ 4.05Å; W942-F969 AromaticContact CE3-CE1 3.67Å; W942-F969 HydrophobicContact CE3-CE1 3.67Å; W942-F969 AromaticContact CE3-CZ 3.43Å; W942-F969 HydrophobicContact CE3-CZ 3.43Å; W942-F969 VanDerWaalsContact CE3-CZ 3.43Å; W942-F969 HydrophobicContact CG-CE1 4.31Å; W942-F969 HydrophobicContact CH2-CZ 4.47Å; W942-F969 HydrophobicContact CZ3-CE1 4.37Å; W942-F969 AromaticContact CZ3-CZ 3.67Å; W942-F969 HydrophobicContact CZ3-CZ 3.67Å; W942-L974 HydrophobicContact CZ2-CD1 4.43Å; W942-K977 HydrophobicContact CD2-CD 4.2Å; W942-K977 HydrophobicContact CG-CD 4.32Å; W942-K977 HydrophobicContact CH2-CB 3.77Å; W942-K977 HydrophobicContact CZ2-CB 3.49Å; W942-K977 VanDerWaalsContact CZ2-CB 3.49Å; W942-K977 HydrophobicContact CZ2-CD 4.34Å; W942-K977 HydrophobicContact CZ2-CG 4.49Å; W942-K977 HydrophobicContact CZ3-CB 4.4Å; W942-L981 HydrophobicContact CH2-CB 4.47Å; W942-L981 HydrophobicContact CH2-CD2 4.49Å; W942-M995 HydrophobicContact CD2-CE 4.1Å; W942-M995 HydrophobicContact CE3-CE 3.49Å; W942-M995 VanDerWaalsContact CE3-CE 3.49Å; W942-M995 HydrophobicContact CE3-SD 4.45Å; W942-M995 HydrophobicContact CH2-CE 3.78Å; W942-M995 HydrophobicContact CZ2-CE 4.31Å; W942-M995 HydrophobicContact CZ3-CE 3.33Å |
| 943 | E | 82.7 | Confident | 80.7 | Confident | 126 Ų | 126 | 57.4 Ų | 57.4 | 59% | 0.589 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -71.5 | -36.7 | 177.1 | -64.5 | -173.5 | -178.4 | 0 | 0 | 112.1 | N941 M945 E946 K947 | N941-E943 VanDerWaalsContact C-N 3.27Å; N941-E943 PolarHBondContact O-N 3.09Å; N941-E943 PolarHBondContact OD1-N 3.03Å; E943-M945 VanDerWaalsContact C-N 3.33Å; E943-E946 PolarHBondContact O-N 3.49Å; E943-K947 WeakPolarHBondContact O-CG 3.38Å; E943-K947 PolarHBondContact O-N 3.29Å |
| 944 | E | 80.6 | Confident | 80.5 | Confident | 73 Ų | 73 | 62 Ų | 62 | 34% | 0.341 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.7 | -35 | 173.5 | -83.1 | 173 | -175.1 | 0 | 0 | 112 | N941 E946 K947 N948 M995 | N941-E944 HydrophobicContact CB-CB 4.36Å; N941-E944 WeakPolarHBondContact ND2-CG 3.43Å; N941-E944 PolarHBondContact ND2-OE1 3.11Å; N941-E944 VanDerWaalsContact ND2-OE1 3.16Å; N941-E944 PolarHBondContact ND2-OE2 3.22Å; N941-E944 PolarHBondContact O-N 3.38Å; N941-E944 PolarHBondContact OD1-N 3.32Å; E944-E946 VanDerWaalsContact C-N 3.33Å; E944-E946 PolarHBondContact O-N 2.65Å; E944-K947 PolarHBondContact O-N 2.94Å; E944-N948 PolarHBondContact O-N 2.68Å; E944-N948 VanDerWaalsContact O-N 3.1Å; E944-N948 PolarHBondContact O-ND2 3.13Å; E944-M995 HydrophobicContact CB-CB 4.24Å |
| 945 | M | 82.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.9 | -167.7 | -178.2 | 77.4 | 0 | 0 | 111.4 | N941 W942 E943 N948 A949 W966 F969 M995 L998 I1000 | N941-M945 PolarHBondContact O-N 2.94Å; W942-M945 HydrophobicContact CE3-CE 3.88Å; W942-M945 HydrophobicContact CE3-SD 3.95Å; W942-M945 HydrophobicContact CZ3-CE 4.26Å; W942-M945 HydrophobicContact CZ3-SD 4.05Å; W942-M945 WeakPolarHBondContact O-CB 3.4Å; W942-M945 PolarHBondContact O-N 2.84Å; E943-M945 VanDerWaalsContact C-N 3.33Å; M945-N948 PolarHBondContact O-N 3.25Å; M945-A949 PolarHBondContact O-N 3.39Å; M945-W966 HydrophobicContact CE-CH2 3.65Å; M945-W966 HydrophobicContact CE-CZ3 3.58Å; M945-F969 HydrophobicContact CE-CD1 4.32Å; M945-F969 HydrophobicContact CE-CE1 3.52Å; M945-F969 HydrophobicContact CE-CE2 4.37Å; M945-F969 HydrophobicContact CE-CZ 3.56Å; M945-M995 HydrophobicContact CB-CB 4.49Å; M945-M995 HydrophobicContact CB-SD 3.81Å; M945-M995 HydrophobicContact CG-SD 4.02Å; M945-M995 HydrophobicContact SD-CE 4.45Å; M945-M995 HydrophobicContact SD-SD 3.89Å; M945-L998 HydrophobicContact SD-CD2 4.41Å; M945-I1000 HydrophobicContact CE-CD1 4.34Å; M945-I1000 HydrophobicContact CG-CD1 4.23Å; M945-I1000 HydrophobicContact CG-CG2 4.38Å |
| 946 | E | 86.3 | Confident | 81.3 | Confident | 71 Ų | 71 | 65 Ų | 65 | 33% | 0.332 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.8 | 179.8 | 174.1 | 177.8 | 0 | 0 | 112.2 | W942 E943 E944 N948 A949 W966 H970 | W942-E946 PolarHBondContact O-N 3.31Å; E943-E946 PolarHBondContact O-N 3.49Å; E944-E946 VanDerWaalsContact C-N 3.33Å; E944-E946 PolarHBondContact O-N 2.65Å; E946-N948 VanDerWaalsContact C-N 3.29Å; E946-N948 PolarHBondContact O-N 3.26Å; E946-A949 WeakPolarHBondContact O-CB 3.33Å; E946-A949 PolarHBondContact O-N 3.37Å; E946-W966 VanDerWaalsContact CA-CH2 3.49Å; E946-W966 HydrophobicContact CB-CD2 4.09Å; E946-W966 HydrophobicContact CB-CE3 3.93Å; E946-W966 HydrophobicContact CB-CH2 3.84Å; E946-W966 HydrophobicContact CB-CZ2 4.01Å; E946-W966 HydrophobicContact CB-CZ3 3.8Å; E946-W966 HydrophobicContact CG-CD2 3.69Å; E946-W966 HydrophobicContact CG-CE3 4.02Å; E946-W966 HydrophobicContact CG-CG 4.05Å; E946-W966 HydrophobicContact CG-CH2 4.35Å; E946-W966 HydrophobicContact CG-CZ2 4.05Å; E946-W966 HydrophobicContact CG-CZ3 4.34Å; E946-H970 IonicContact OE2-CD2 3.41Å; E946-H970 IonicContact OE2-CE1 3.4Å; E946-H970 IonicContact OE2-NE2 3.85Å; E946-H970 PolarHBondContact OE2-NE2 2.83Å |
| 947 | K | 84.9 | Confident | 81.7 | Confident | 160 Ų | 160 | 67.7 Ų | 67.7 | 70% | 0.696 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.8 | -33.3 | 178.4 | -72.9 | 173.1 | -173.9 | 167 | 0 | 113 | E943 E944 | E943-K947 WeakPolarHBondContact O-CG 3.38Å; E943-K947 PolarHBondContact O-N 3.29Å; E944-K947 PolarHBondContact O-N 2.94Å |
| 948 | N | 84.4 | Confident | 82.3 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -0.5 | -177.6 | -71.6 | -53 | 0 | 0 | 0 | 114.3 | E944 M945 E946 E996 | E944-N948 PolarHBondContact O-N 2.68Å; E944-N948 VanDerWaalsContact O-N 3.1Å; E944-N948 PolarHBondContact O-ND2 3.13Å; M945-N948 PolarHBondContact O-N 3.25Å; E946-N948 VanDerWaalsContact C-N 3.29Å; E946-N948 PolarHBondContact O-N 3.26Å; N948-E996 WeakPolarHBondContact ND2-CA 3.4Å |
| 949 | A | 85.8 | Confident | 83 | Confident | 12 Ų | 12 | 67 Ų | 67 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | trans | -67.5 | 131.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M945 E946 Y951 W966 I1000 | M945-A949 PolarHBondContact O-N 3.39Å; E946-A949 WeakPolarHBondContact O-CB 3.33Å; E946-A949 PolarHBondContact O-N 3.37Å; A949-Y951 HydrophobicContact CB-CE2 4.28Å; A949-Y951 WeakPolarHBondContact O-CE2 3.43Å; A949-W966 HydrophobicContact CB-CZ2 3.79Å; A949-I1000 HydrophobicContact CB-CD1 3.87Å; A949-I1000 HydrophobicContact CB-CG1 3.55Å | ||
| 950 | V | 86.7 | Confident | 83.5 | Confident | 64 Ų | 64 | 65.5 Ų | 65.5 | 39% | 0.388 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.6 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | I1000 V1001 I1002 | V950-I1000 PolarHBondContact N-O 3.36Å; V950-V1001 HydrophobicContact CB-CG2 4.4Å; V950-V1001 CarbonylContact O-C 3.58Å; V950-V1001 VanDerWaalsContact O-CA 3.26Å; V950-V1001 WeakPolarHBondContact O-CA 3.12Å; V950-I1002 PolarHBondContact O-N 2.71Å |
| 951 | Y | 88.4 | Confident | 83.8 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.4 | -179.8 | -53.2 | -83.8 | 0 | 0 | 0 | 110.1 | A949 Y955 A957 V962 W966 I1002 | A949-Y951 HydrophobicContact CB-CE2 4.28Å; A949-Y951 WeakPolarHBondContact O-CE2 3.43Å; Y951-Y955 VanDerWaalsContact CB-O 3.23Å; Y951-Y955 WeakPolarHBondContact CB-O 3.36Å; Y951-A957 HydrophobicContact CD2-CB 4.21Å; Y951-A957 HydrophobicContact CE2-CB 3.78Å; Y951-V962 HydrophobicContact CD1-CG1 4.01Å; Y951-V962 HydrophobicContact CD1-CG2 4.03Å; Y951-V962 HydrophobicContact CE1-CB 4.35Å; Y951-V962 HydrophobicContact CE1-CG1 3.28Å; Y951-V962 HydrophobicContact CE1-CG2 4.09Å; Y951-W966 AromaticContact CZ-NE1 3.94Å; Y951-W966 PolarHBondContact OH-NE1 3.32Å; Y951-I1002 WeakPolarHBondContact CA-O 3.4Å; Y951-I1002 HydrophobicContact CD1-CB 3.98Å; Y951-I1002 HydrophobicContact CD1-CD1 4.48Å; Y951-I1002 HydrophobicContact CE1-CB 4.26Å; Y951-I1002 HydrophobicContact CE1-CD1 3.88Å |
| 952 | K | 84 | Confident | 84.1 | Confident | 105 Ų | 105 | 61.4 Ų | 61.4 | 46% | 0.457 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 154.8 | 179.5 | -69.6 | -172.7 | -175.3 | 174.8 | 0 | 111.4 | V1001 I1002 Q1003 S1004 | K952-V1001 HydrophobicContact CB-CG1 4.36Å; K952-V1001 HydrophobicContact CD-CG1 3.63Å; K952-V1001 HydrophobicContact CG-CG1 3.79Å; K952-I1002 PolarHBondContact N-O 2.95Å; K952-Q1003 HydrophobicContact CB-CB 4.37Å; K952-Q1003 HydrophobicContact CB-CG 4.46Å; K952-S1004 PolarHBondContact O-N 2.86Å |
| 953 | G | 80.9 | Confident | 84.2 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 72% | 0.722 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -129.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 954 | E | 77.1 | Confident | 84.4 | Confident | 114 Ų | 114 | 63 Ų | 63 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5.2 | 178.7 | -70.5 | -175.7 | -141.2 | 0 | 0 | 113.6 | S1004 R1026 | E954-S1004 PolarHBondContact N-OG 3.21Å; E954-R1026 IonicContact OE1-CZ 2.89Å; E954-R1026 IonicContact OE1-NH2 2.83Å; E954-R1026 PolarHBondContact OE1-NH2 3.5Å; E954-R1026 IonicContact OE2-CZ 2.91Å; E954-R1026 IonicContact OE2-NH1 3.81Å; E954-R1026 PolarHBondContact OE2-NH1 3.48Å; E954-R1026 IonicContact OE2-NH2 3.28Å; E954-R1026 PolarHBondContact OE2-NH2 2.95Å |
| 955 | Y | 84.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | trans | -81.1 | 137.3 | 178.4 | -68.6 | -25.7 | 0 | 0 | 0 | 112.4 | Y951 H959 V962 I1002 M1024 P1025 R1026 | Y951-Y955 VanDerWaalsContact CB-O 3.23Å; Y951-Y955 WeakPolarHBondContact CB-O 3.36Å; Y955-H959 HydrophobicContact CD1-CB 4.43Å; Y955-H959 AromaticContact CD1-CE1 3.87Å; Y955-H959 AromaticContact CD1-CG 3.82Å; Y955-H959 AromaticContact CD1-ND1 3.62Å; Y955-H959 AromaticContact CE1-CE1 3.69Å; Y955-H959 AromaticContact CE1-ND1 3.74Å; Y955-V962 HydrophobicContact CD1-CG2 4.21Å; Y955-V962 HydrophobicContact CD2-CG2 4.37Å; Y955-V962 HydrophobicContact CG-CG2 3.93Å; Y955-I1002 HydrophobicContact CD2-CG2 4Å; Y955-I1002 HydrophobicContact CE2-CG2 4.4Å; Y955-M1024 HydrophobicContact CD2-CE 4.23Å; Y955-M1024 HydrophobicContact CE2-CB 4.11Å; Y955-M1024 HydrophobicContact CE2-CE 3.58Å; Y955-M1024 WeakPolarHBondContact CE2-O 3.43Å; Y955-M1024 PolarHBondContact OH-O 3.04Å; Y955-P1025 VanDerWaalsContact OH-C 3.3Å; Y955-P1025 PolarHBondContact OH-O 3.33Å; Y955-P1025 VanDerWaalsContact OH-O 3.14Å; Y955-R1026 HydrophobicContact CE1-CG 4.35Å | ||
| 956 | T | 84.3 | Confident | 85.2 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 45% | 0.454 | 33% | 0.326 | S | S | . | . | trans | -133.1 | 162.5 | 171.2 | 54.9 | 0 | 0 | 0 | 0 | 108.1 | T958 H959 | T956-T958 PolarHBondContact O-N 2.91Å; T956-T958 PolarHBondContact OG1-OG1 3.44Å; T956-H959 VanDerWaalsContact O-CB 3.27Å; T956-H959 WeakPolarHBondContact O-CB 3.33Å; T956-H959 PolarHBondContact O-N 3.36Å | ||
| 957 | A | 81.9 | Confident | 85.2 | Confident | 64 Ų | 64 | 61 Ų | 61 | 53% | 0.529 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -22.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y951 | Y951-A957 HydrophobicContact CD2-CB 4.21Å; Y951-A957 HydrophobicContact CE2-CB 3.78Å |
| 958 | T | 84.8 | Confident | 85.4 | Confident | 92 Ų | 92 | 53.3 Ų | 53.3 | 56% | 0.564 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -4.2 | 178.7 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | T956 | T956-T958 PolarHBondContact O-N 2.91Å; T956-T958 PolarHBondContact OG1-OG1 3.44Å |
| 959 | H | 86.4 | Confident | 85.6 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 19% | 0.185 | 28% | 0.284 | C | S | . | . | trans | -63.9 | 137.4 | -176.6 | -170.3 | -84.5 | 0 | 0 | 0 | 111.3 | Y955 T956 T961 V962 R963 | Y955-H959 HydrophobicContact CD1-CB 4.43Å; Y955-H959 AromaticContact CD1-CE1 3.87Å; Y955-H959 AromaticContact CD1-CG 3.82Å; Y955-H959 AromaticContact CD1-ND1 3.62Å; Y955-H959 AromaticContact CE1-CE1 3.69Å; Y955-H959 AromaticContact CE1-ND1 3.74Å; T956-H959 VanDerWaalsContact O-CB 3.27Å; T956-H959 WeakPolarHBondContact O-CB 3.33Å; T956-H959 PolarHBondContact O-N 3.36Å; H959-T961 PolarHBondContact CE1-OG1 3.26Å; H959-T961 PolarHBondContact ND1-N 3.49Å; H959-T961 PolarHBondContact O-N 3.24Å; H959-V962 HydrophobicContact CB-CB 4.31Å; H959-V962 HydrophobicContact CB-CG2 4.11Å; H959-V962 PolarHBondContact O-N 3.11Å; H959-R963 PolarHBondContact O-N 3.47Å; H959-R963 VanDerWaalsContact O-N 3.08Å | ||
| 960 | P | 83.6 | Confident | 85.7 | Confident | 89 Ų | 89 | 53.7 Ų | 53.7 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -53.9 | -46.1 | -176 | -27.5 | 34.1 | 0 | 0 | 0 | 113.9 | V962 R963 L964 | P960-V962 VanDerWaalsContact C-N 3.31Å; P960-V962 PolarHBondContact O-N 3Å; P960-R963 PolarHBondContact O-N 3.23Å; P960-L964 VanDerWaalsContact O-CG 3.31Å; P960-L964 WeakPolarHBondContact O-CG 3.35Å; P960-L964 PolarHBondContact O-N 3.46Å |
| 961 | T | 84.4 | Confident | 85.7 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64 | -33.3 | 178.8 | -46.1 | 0 | 0 | 0 | 0 | 113 | H959 F965 M1024 Y1027 L1033 | H959-T961 PolarHBondContact CE1-OG1 3.26Å; H959-T961 PolarHBondContact ND1-N 3.49Å; H959-T961 PolarHBondContact O-N 3.24Å; T961-F965 WeakPolarHBondContact O-CB 3.13Å; T961-F965 PolarHBondContact O-N 3.12Å; T961-M1024 HydrophobicContact CG2-CE 3.73Å; T961-M1024 HydrophobicContact CG2-SD 4.38Å; T961-Y1027 HydrophobicContact CG2-CD2 4.48Å; T961-Y1027 PolarHBondContact OG1-O 3.16Å; T961-L1033 HydrophobicContact CG2-CD1 4.22Å |
| 962 | V | 86.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 178.1 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | Y951 Y955 H959 P960 F965 W966 M1024 | Y951-V962 HydrophobicContact CD1-CG1 4.01Å; Y951-V962 HydrophobicContact CD1-CG2 4.03Å; Y951-V962 HydrophobicContact CE1-CB 4.35Å; Y951-V962 HydrophobicContact CE1-CG1 3.28Å; Y951-V962 HydrophobicContact CE1-CG2 4.09Å; Y955-V962 HydrophobicContact CD1-CG2 4.21Å; Y955-V962 HydrophobicContact CD2-CG2 4.37Å; Y955-V962 HydrophobicContact CG-CG2 3.93Å; H959-V962 HydrophobicContact CB-CB 4.31Å; H959-V962 HydrophobicContact CB-CG2 4.11Å; H959-V962 PolarHBondContact O-N 3.11Å; P960-V962 VanDerWaalsContact C-N 3.31Å; P960-V962 PolarHBondContact O-N 3Å; V962-F965 WeakPolarHBondContact O-CB 3.42Å; V962-F965 PolarHBondContact O-N 3.04Å; V962-W966 VanDerWaalsContact O-CD1 3.25Å; V962-W966 PolarHBondContact O-N 2.82Å; V962-M1024 HydrophobicContact CG2-CE 4.48Å |
| 963 | R | 87 | Confident | 85.8 | Confident | 148 Ų | 148 | 52 Ų | 52 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 173 | -74 | -178.2 | 164.5 | 172.9 | -4.5 | 111.8 | H959 P960 F965 W966 E967 | H959-R963 PolarHBondContact O-N 3.47Å; H959-R963 VanDerWaalsContact O-N 3.08Å; P960-R963 PolarHBondContact O-N 3.23Å; R963-F965 VanDerWaalsContact C-N 3.27Å; R963-F965 PolarHBondContact O-N 3.46Å; R963-W966 PolarHBondContact O-N 3.04Å; R963-E967 WeakPolarHBondContact O-CG 3.38Å; R963-E967 PolarHBondContact O-N 3.11Å |
| 964 | L | 87.4 | Confident | 85.9 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 175 | -69.8 | 176.3 | 0 | 0 | 0 | 111.9 | P960 V968 K1030 L1033 | P960-L964 VanDerWaalsContact O-CG 3.31Å; P960-L964 WeakPolarHBondContact O-CG 3.35Å; P960-L964 PolarHBondContact O-N 3.46Å; L964-V968 WeakPolarHBondContact O-CB 3.37Å; L964-V968 VanDerWaalsContact O-CG2 3.23Å; L964-V968 WeakPolarHBondContact O-CG2 3.36Å; L964-V968 PolarHBondContact O-N 3.16Å; L964-K1030 HydrophobicContact CD2-CB 4Å; L964-K1030 HydrophobicContact CD2-CD 4.48Å; L964-K1030 HydrophobicContact CD2-CG 4.32Å; L964-L1033 HydrophobicContact CB-CD1 4.22Å |
| 965 | F | 89.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -52.5 | 174.6 | 168.5 | -94.4 | 0 | 0 | 0 | 111.8 | T961 V962 R963 E967 V968 F969 F980 I1002 L1022 M1024 L1033 L1037 | T961-F965 WeakPolarHBondContact O-CB 3.13Å; T961-F965 PolarHBondContact O-N 3.12Å; V962-F965 WeakPolarHBondContact O-CB 3.42Å; V962-F965 PolarHBondContact O-N 3.04Å; R963-F965 VanDerWaalsContact C-N 3.27Å; R963-F965 PolarHBondContact O-N 3.46Å; F965-E967 PolarHBondContact O-N 2.78Å; F965-V968 PolarHBondContact O-N 3.06Å; F965-F969 WeakPolarHBondContact O-CB 3.45Å; F965-F969 PolarHBondContact O-N 2.75Å; F965-F980 HydrophobicContact CE2-CE2 4.11Å; F965-F980 HydrophobicContact CE2-CZ 4.12Å; F965-F980 HydrophobicContact CZ-CE1 4.35Å; F965-F980 HydrophobicContact CZ-CE2 4.12Å; F965-F980 AromaticContact CZ-CZ 3.66Å; F965-F980 HydrophobicContact CZ-CZ 3.66Å; F965-I1002 HydrophobicContact CD1-CD1 4.08Å; F965-I1002 HydrophobicContact CE1-CD1 3.81Å; F965-I1002 HydrophobicContact CZ-CD1 4.43Å; F965-L1022 HydrophobicContact CE2-CD2 3.83Å; F965-L1022 HydrophobicContact CZ-CD2 4.11Å; F965-M1024 HydrophobicContact CB-CE 4.47Å; F965-M1024 HydrophobicContact CB-SD 4.14Å; F965-M1024 HydrophobicContact CD2-SD 4.04Å; F965-M1024 HydrophobicContact CG-SD 4.3Å; F965-L1033 HydrophobicContact CB-CD1 4.08Å; F965-L1033 HydrophobicContact CB-CD2 4.46Å; F965-L1033 HydrophobicContact CD2-CD2 4.45Å; F965-L1037 HydrophobicContact CD2-CD2 4.1Å; F965-L1037 HydrophobicContact CE2-CD1 4.24Å; F965-L1037 HydrophobicContact CE2-CD2 3.9Å |
| 966 | W | 89.6 | Confident | 86 | Confident | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | -178.8 | -73.7 | 116.2 | 0 | 0 | 0 | 113.1 | M945 E946 A949 Y951 V962 R963 F969 H970 I1000 I1002 | M945-W966 HydrophobicContact CE-CH2 3.65Å; M945-W966 HydrophobicContact CE-CZ3 3.58Å; E946-W966 VanDerWaalsContact CA-CH2 3.49Å; E946-W966 HydrophobicContact CB-CD2 4.09Å; E946-W966 HydrophobicContact CB-CE3 3.93Å; E946-W966 HydrophobicContact CB-CH2 3.84Å; E946-W966 HydrophobicContact CB-CZ2 4.01Å; E946-W966 HydrophobicContact CB-CZ3 3.8Å; E946-W966 HydrophobicContact CG-CD2 3.69Å; E946-W966 HydrophobicContact CG-CE3 4.02Å; E946-W966 HydrophobicContact CG-CG 4.05Å; E946-W966 HydrophobicContact CG-CH2 4.35Å; E946-W966 HydrophobicContact CG-CZ2 4.05Å; E946-W966 HydrophobicContact CG-CZ3 4.34Å; A949-W966 HydrophobicContact CB-CZ2 3.79Å; Y951-W966 AromaticContact CZ-NE1 3.94Å; Y951-W966 PolarHBondContact OH-NE1 3.32Å; V962-W966 VanDerWaalsContact O-CD1 3.25Å; V962-W966 PolarHBondContact O-N 2.82Å; R963-W966 PolarHBondContact O-N 3.04Å; W966-F969 HydrophobicContact CE3-CB 4.39Å; W966-F969 AromaticContact CE3-CD1 3.87Å; W966-F969 HydrophobicContact CE3-CD1 3.87Å; W966-F969 HydrophobicContact CE3-CG 4.37Å; W966-F969 AromaticContact CZ3-CD1 3.79Å; W966-F969 HydrophobicContact CZ3-CD1 3.79Å; W966-F969 HydrophobicContact CZ3-CE1 4.15Å; W966-F969 HydrophobicContact CZ3-CG 4.45Å; W966-F969 PolarHBondContact O-N 2.91Å; W966-H970 WeakPolarHBondContact O-CB 3.3Å; W966-H970 PolarHBondContact O-CD2 2.83Å; W966-H970 PolarHBondContact O-N 2.92Å; W966-I1000 HydrophobicContact CH2-CD1 3.58Å; W966-I1000 HydrophobicContact CZ2-CD1 3.75Å; W966-I1002 HydrophobicContact CZ2-CD1 4.3Å |
| 967 | E | 87.6 | Confident | 86 | Confident | 94 Ų | 94 | 52.7 Ų | 52.7 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 171.6 | -75.8 | -179 | -158.7 | 0 | 0 | 111.9 | R963 F965 F969 H970 E971 K1030 | R963-E967 WeakPolarHBondContact O-CG 3.38Å; R963-E967 PolarHBondContact O-N 3.11Å; F965-E967 PolarHBondContact O-N 2.78Å; E967-F969 VanDerWaalsContact C-N 3.33Å; E967-H970 PolarHBondContact O-N 2.83Å; E967-E971 WeakPolarHBondContact O-CG 3.43Å; E967-E971 PolarHBondContact O-N 2.94Å; E967-E971 VanDerWaalsContact O-N 3.11Å; E967-K1030 IonicContact OE2-NZ 2.81Å; E967-K1030 PolarHBondContact OE2-NZ 3.33Å |
| 968 | V | 88 | Confident | 86 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 178.1 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | L964 F965 E971 F972 K1030 L1033 R1034 L1037 | L964-V968 WeakPolarHBondContact O-CB 3.37Å; L964-V968 VanDerWaalsContact O-CG2 3.23Å; L964-V968 WeakPolarHBondContact O-CG2 3.36Å; L964-V968 PolarHBondContact O-N 3.16Å; F965-V968 PolarHBondContact O-N 3.06Å; V968-E971 PolarHBondContact O-N 3.26Å; V968-F972 HydrophobicContact CG1-CE1 4.1Å; V968-F972 HydrophobicContact CG1-CZ 3.96Å; V968-F972 PolarHBondContact O-N 3.34Å; V968-K1030 HydrophobicContact CG2-CD 4.35Å; V968-K1030 HydrophobicContact CG2-CG 3.54Å; V968-L1033 HydrophobicContact CB-CD2 3.9Å; V968-L1033 HydrophobicContact CG1-CD2 3.92Å; V968-L1033 HydrophobicContact CG2-CD2 4.01Å; V968-R1034 HydrophobicContact CG1-CB 3.77Å; V968-R1034 HydrophobicContact CG1-CG 4.01Å; V968-R1034 HydrophobicContact CG2-CB 4.08Å; V968-L1037 HydrophobicContact CG1-CD2 4.23Å |
| 969 | F | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 178.1 | -178.4 | -100.5 | 0 | 0 | 0 | 111.5 | W942 M945 F965 W966 E967 E971 F972 K977 F980 | W942-F969 HydrophobicContact CB-CE1 4.24Å; W942-F969 HydrophobicContact CD2-CE1 4.05Å; W942-F969 HydrophobicContact CD2-CZ 4.05Å; W942-F969 AromaticContact CE3-CE1 3.67Å; W942-F969 HydrophobicContact CE3-CE1 3.67Å; W942-F969 AromaticContact CE3-CZ 3.43Å; W942-F969 HydrophobicContact CE3-CZ 3.43Å; W942-F969 VanDerWaalsContact CE3-CZ 3.43Å; W942-F969 HydrophobicContact CG-CE1 4.31Å; W942-F969 HydrophobicContact CH2-CZ 4.47Å; W942-F969 HydrophobicContact CZ3-CE1 4.37Å; W942-F969 AromaticContact CZ3-CZ 3.67Å; W942-F969 HydrophobicContact CZ3-CZ 3.67Å; M945-F969 HydrophobicContact CE-CD1 4.32Å; M945-F969 HydrophobicContact CE-CE1 3.52Å; M945-F969 HydrophobicContact CE-CE2 4.37Å; M945-F969 HydrophobicContact CE-CZ 3.56Å; F965-F969 WeakPolarHBondContact O-CB 3.45Å; F965-F969 PolarHBondContact O-N 2.75Å; W966-F969 HydrophobicContact CE3-CB 4.39Å; W966-F969 AromaticContact CE3-CD1 3.87Å; W966-F969 HydrophobicContact CE3-CD1 3.87Å; W966-F969 HydrophobicContact CE3-CG 4.37Å; W966-F969 AromaticContact CZ3-CD1 3.79Å; W966-F969 HydrophobicContact CZ3-CD1 3.79Å; W966-F969 HydrophobicContact CZ3-CE1 4.15Å; W966-F969 HydrophobicContact CZ3-CG 4.45Å; W966-F969 PolarHBondContact O-N 2.91Å; E967-F969 VanDerWaalsContact C-N 3.33Å; F969-E971 VanDerWaalsContact C-N 3.3Å; F969-E971 PolarHBondContact O-N 3.04Å; F969-F972 WeakPolarHBondContact O-CB 3.23Å; F969-F972 PolarHBondContact O-N 3.27Å; F969-F972 VanDerWaalsContact O-N 3.11Å; F969-K977 HydrophobicContact CE1-CD 4.49Å; F969-K977 HydrophobicContact CE1-CG 4.49Å; F969-K977 HydrophobicContact CE2-CB 4.34Å; F969-K977 HydrophobicContact CE2-CG 4.08Å; F969-K977 HydrophobicContact CZ-CB 4.16Å; F969-K977 HydrophobicContact CZ-CD 4.38Å; F969-K977 HydrophobicContact CZ-CG 3.96Å; F969-K977 WeakPolarHBondContact O-CE 3.49Å; F969-F980 AromaticContact CD2-CD1 4Å; F969-F980 HydrophobicContact CD2-CD1 4Å; F969-F980 HydrophobicContact CD2-CE1 4.32Å; F969-F980 HydrophobicContact CD2-CG 4.24Å; F969-F980 HydrophobicContact CE2-CB 4.1Å; F969-F980 AromaticContact CE2-CD1 3.33Å; F969-F980 HydrophobicContact CE2-CD1 3.33Å; F969-F980 AromaticContact CE2-CE1 3.91Å; F969-F980 HydrophobicContact CE2-CE1 3.91Å; F969-F980 AromaticContact CE2-CG 3.8Å; F969-F980 HydrophobicContact CE2-CG 3.8Å; F969-F980 HydrophobicContact CZ-CD1 4.13Å |
| 970 | H | 87.9 | Confident | 85.7 | Confident | 71 Ų | 71 | 49.5 Ų | 49.5 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66 | -32 | 178.6 | -77.5 | -55.2 | 0 | 0 | 0 | 112.8 | E946 W966 E967 F972 K977 | E946-H970 IonicContact OE2-CD2 3.41Å; E946-H970 IonicContact OE2-CE1 3.4Å; E946-H970 IonicContact OE2-NE2 3.85Å; E946-H970 PolarHBondContact OE2-NE2 2.83Å; W966-H970 WeakPolarHBondContact O-CB 3.3Å; W966-H970 PolarHBondContact O-CD2 2.83Å; W966-H970 PolarHBondContact O-N 2.92Å; E967-H970 PolarHBondContact O-N 2.83Å; H970-F972 VanDerWaalsContact C-N 3.25Å; H970-F972 PolarHBondContact O-N 3.46Å; H970-K977 PolarHBondContact O-NZ 3.21Å |
| 971 | E | 87.7 | Confident | 85.6 | Confident | 97 Ų | 97 | 45.2 Ų | 45.2 | 45% | 0.453 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.2 | -17.5 | 172.7 | -78.7 | 176.9 | -162.7 | 0 | 0 | 114.2 | E967 V968 F969 K1030 R1034 | E967-E971 WeakPolarHBondContact O-CG 3.43Å; E967-E971 PolarHBondContact O-N 2.94Å; E967-E971 VanDerWaalsContact O-N 3.11Å; V968-E971 PolarHBondContact O-N 3.26Å; F969-E971 VanDerWaalsContact C-N 3.3Å; F969-E971 PolarHBondContact O-N 3.04Å; E971-K1030 VanDerWaalsContact OE1-CE 3.23Å; E971-K1030 WeakPolarHBondContact OE1-CE 3.49Å; E971-K1030 IonicContact OE1-NZ 3.81Å; E971-K1030 PolarHBondContact OE1-NZ 3.14Å; E971-R1034 IonicContact OE2-NH1 2.93Å; E971-R1034 PolarHBondContact OE2-NH1 3.13Å |
| 972 | F | 87.3 | Confident | 85.2 | Confident | 12 Ų | 12 | 47 Ų | 47 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -70.1 | 144.5 | -179.7 | -76.6 | -19.6 | 0 | 0 | 0 | 113.4 | V968 F969 H970 K976 K977 R1034 L1037 | V968-F972 HydrophobicContact CG1-CE1 4.1Å; V968-F972 HydrophobicContact CG1-CZ 3.96Å; V968-F972 PolarHBondContact O-N 3.34Å; F969-F972 WeakPolarHBondContact O-CB 3.23Å; F969-F972 PolarHBondContact O-N 3.27Å; F969-F972 VanDerWaalsContact O-N 3.11Å; H970-F972 VanDerWaalsContact C-N 3.25Å; H970-F972 PolarHBondContact O-N 3.46Å; F972-K976 HydrophobicContact CB-CB 4.04Å; F972-K976 HydrophobicContact CD1-CD 4.4Å; F972-K976 HydrophobicContact CD2-CB 4.27Å; F972-K976 HydrophobicContact CG-CB 4.12Å; F972-K977 HydrophobicContact CB-CG 3.94Å; F972-K977 WeakPolarHBondContact O-CE 3.3Å; F972-K977 PolarHBondContact O-NZ 3.07Å; F972-R1034 HydrophobicContact CE1-CG 4.27Å; F972-L1037 HydrophobicContact CE2-CD2 3.71Å; F972-L1037 HydrophobicContact CE2-CG 4.08Å; F972-L1037 HydrophobicContact CZ-CD2 4.09Å; F972-L1037 HydrophobicContact CZ-CG 4.33Å |
| 973 | P | 86.7 | Confident | 85 | Confident | 70 Ų | 70 | 48.5 Ų | 48.5 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | trans | -65.1 | 159.6 | 168.9 | 29.6 | -34.5 | 0 | 0 | 0 | 110.9 | E975 K976 K977 | P973-E975 PolarHBondContact O-N 3.05Å; P973-K976 HydrophobicContact CG-CB 4.09Å; P973-K976 HydrophobicContact CG-CD 4.28Å; P973-K976 HydrophobicContact CG-CG 4.02Å; P973-K976 PolarHBondContact O-N 3.14Å; P973-K977 PolarHBondContact O-N 2.91Å; P973-K977 VanDerWaalsContact O-N 3.09Å | ||
| 974 | L | 83.7 | Confident | 84.6 | Confident | 79 Ų | 79 | 41.5 Ų | 41.5 | 41% | 0.414 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.5 | -39.6 | -174.9 | -176.9 | 67 | 0 | 0 | 0 | 112.2 | Y940 W942 K976 K977 K978 | Y940-L974 HydrophobicContact CD2-CD1 4.26Å; W942-L974 HydrophobicContact CZ2-CD1 4.43Å; L974-K976 PolarHBondContact O-N 3.05Å; L974-K977 PolarHBondContact O-N 2.83Å; L974-K978 WeakPolarHBondContact O-CG 3.13Å; L974-K978 PolarHBondContact O-N 2.8Å |
| 975 | E | 82.5 | Confident | 83.8 | Confident | 121 Ų | 121 | 40.1 Ų | 40.1 | 57% | 0.565 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -60.4 | -43.6 | 178.7 | -68.7 | 68.7 | -152.5 | 0 | 0 | 111.7 | P973 K978 Q979 | P973-E975 PolarHBondContact O-N 3.05Å; E975-K978 PolarHBondContact O-N 3.46Å; E975-Q979 WeakPolarHBondContact O-CG 3.48Å; E975-Q979 PolarHBondContact O-N 2.72Å |
| 976 | K | 81.3 | Confident | 82.8 | Confident | 50 Ų | 50 | 41.5 Ų | 41.5 | 22% | 0.217 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.6 | -32 | 177.5 | -75.8 | -164.4 | 170.6 | -163.8 | 0 | 112.6 | F972 P973 L974 Q979 F980 E1042 | F972-K976 HydrophobicContact CB-CB 4.04Å; F972-K976 HydrophobicContact CD1-CD 4.4Å; F972-K976 HydrophobicContact CD2-CB 4.27Å; F972-K976 HydrophobicContact CG-CB 4.12Å; P973-K976 HydrophobicContact CG-CB 4.09Å; P973-K976 HydrophobicContact CG-CD 4.28Å; P973-K976 HydrophobicContact CG-CG 4.02Å; P973-K976 PolarHBondContact O-N 3.14Å; L974-K976 PolarHBondContact O-N 3.05Å; K976-Q979 PolarHBondContact O-N 2.91Å; K976-F980 WeakPolarHBondContact O-CB 3.41Å; K976-F980 PolarHBondContact O-N 3.45Å; K976-E1042 VanDerWaalsContact CE-OE1 3.32Å; K976-E1042 WeakPolarHBondContact CE-OE1 3.23Å; K976-E1042 IonicContact NZ-OE1 3.03Å; K976-E1042 PolarHBondContact NZ-OE1 2.82Å |
| 977 | K | 85.3 | Confident | 81.8 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 173.2 | -67.7 | 178.2 | 172.4 | 165.6 | 0 | 111.5 | W942 F969 H970 F972 P973 L974 F980 L981 | W942-K977 HydrophobicContact CD2-CD 4.2Å; W942-K977 HydrophobicContact CG-CD 4.32Å; W942-K977 HydrophobicContact CH2-CB 3.77Å; W942-K977 HydrophobicContact CZ2-CB 3.49Å; W942-K977 VanDerWaalsContact CZ2-CB 3.49Å; W942-K977 HydrophobicContact CZ2-CD 4.34Å; W942-K977 HydrophobicContact CZ2-CG 4.49Å; W942-K977 HydrophobicContact CZ3-CB 4.4Å; F969-K977 HydrophobicContact CE1-CD 4.49Å; F969-K977 HydrophobicContact CE1-CG 4.49Å; F969-K977 HydrophobicContact CE2-CB 4.34Å; F969-K977 HydrophobicContact CE2-CG 4.08Å; F969-K977 HydrophobicContact CZ-CB 4.16Å; F969-K977 HydrophobicContact CZ-CD 4.38Å; F969-K977 HydrophobicContact CZ-CG 3.96Å; F969-K977 WeakPolarHBondContact O-CE 3.49Å; H970-K977 PolarHBondContact O-NZ 3.21Å; F972-K977 HydrophobicContact CB-CG 3.94Å; F972-K977 WeakPolarHBondContact O-CE 3.3Å; F972-K977 PolarHBondContact O-NZ 3.07Å; P973-K977 PolarHBondContact O-N 2.91Å; P973-K977 VanDerWaalsContact O-N 3.09Å; L974-K977 PolarHBondContact O-N 2.83Å; K977-F980 PolarHBondContact O-N 2.89Å; K977-L981 PolarHBondContact O-N 3.07Å |
| 978 | K | 81.7 | Confident | 81 | Confident | 59 Ų | 59 | 39.1 Ų | 39.1 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.1 | -45 | 172.3 | -72.2 | 179.3 | 176.9 | -173.8 | 0 | 112.2 | Y940 L974 E975 F980 L981 L982 D988 | Y940-K978 HydrophobicContact CE1-CG 4.36Å; Y940-K978 HydrophobicContact CE2-CD 4.41Å; Y940-K978 HydrophobicContact CE2-CG 4.29Å; Y940-K978 WeakPolarHBondContact OH-CE 3.15Å; L974-K978 WeakPolarHBondContact O-CG 3.13Å; L974-K978 PolarHBondContact O-N 2.8Å; E975-K978 PolarHBondContact O-N 3.46Å; K978-F980 VanDerWaalsContact C-N 3.29Å; K978-F980 PolarHBondContact O-N 3.41Å; K978-L981 WeakPolarHBondContact O-CB 3.12Å; K978-L981 PolarHBondContact O-N 3.35Å; K978-L981 VanDerWaalsContact O-N 3.15Å; K978-L982 PolarHBondContact O-N 3.4Å; K978-D988 HydrophobicContact CB-CB 4.32Å |
| 979 | Q | 81.3 | Confident | 80.1 | Confident | 70 Ų | 70 | 42.5 Ų | 42.5 | 33% | 0.327 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.5 | -37.1 | 174.8 | -70.7 | 174 | -21.5 | 0 | 0 | 112 | E975 K976 L981 L982 F983 V1041 | E975-Q979 WeakPolarHBondContact O-CG 3.48Å; E975-Q979 PolarHBondContact O-N 2.72Å; K976-Q979 PolarHBondContact O-N 2.91Å; Q979-L981 VanDerWaalsContact C-N 3.35Å; Q979-L982 WeakPolarHBondContact O-CB 3.33Å; Q979-L982 PolarHBondContact O-N 2.9Å; Q979-F983 VanDerWaalsContact O-CB 3.32Å; Q979-F983 WeakPolarHBondContact O-CB 3.45Å; Q979-F983 PolarHBondContact O-N 2.89Å; Q979-V1041 HydrophobicContact CB-CG1 3.33Å |
| 980 | F | 83.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 173.3 | 173.8 | -94.9 | 0 | 0 | 0 | 111.8 | F965 F969 K976 K977 K978 F983 L984 L1022 L1037 V1041 | F965-F980 HydrophobicContact CE2-CE2 4.11Å; F965-F980 HydrophobicContact CE2-CZ 4.12Å; F965-F980 HydrophobicContact CZ-CE1 4.35Å; F965-F980 HydrophobicContact CZ-CE2 4.12Å; F965-F980 AromaticContact CZ-CZ 3.66Å; F965-F980 HydrophobicContact CZ-CZ 3.66Å; F969-F980 AromaticContact CD2-CD1 4Å; F969-F980 HydrophobicContact CD2-CD1 4Å; F969-F980 HydrophobicContact CD2-CE1 4.32Å; F969-F980 HydrophobicContact CD2-CG 4.24Å; F969-F980 HydrophobicContact CE2-CB 4.1Å; F969-F980 AromaticContact CE2-CD1 3.33Å; F969-F980 HydrophobicContact CE2-CD1 3.33Å; F969-F980 AromaticContact CE2-CE1 3.91Å; F969-F980 HydrophobicContact CE2-CE1 3.91Å; F969-F980 AromaticContact CE2-CG 3.8Å; F969-F980 HydrophobicContact CE2-CG 3.8Å; F969-F980 HydrophobicContact CZ-CD1 4.13Å; K976-F980 WeakPolarHBondContact O-CB 3.41Å; K976-F980 PolarHBondContact O-N 3.45Å; K977-F980 PolarHBondContact O-N 2.89Å; K978-F980 VanDerWaalsContact C-N 3.29Å; K978-F980 PolarHBondContact O-N 3.41Å; F980-F983 HydrophobicContact CD2-CD1 4.43Å; F980-F983 WeakPolarHBondContact O-CB 3.44Å; F980-F983 PolarHBondContact O-N 2.9Å; F980-L984 HydrophobicContact CE1-CB 4.46Å; F980-L984 HydrophobicContact CE1-CD2 3.93Å; F980-L984 HydrophobicContact CZ-CB 4.48Å; F980-L984 HydrophobicContact CZ-CD2 4.02Å; F980-L984 WeakPolarHBondContact O-CB 3.31Å; F980-L984 PolarHBondContact O-N 3.16Å; F980-L1022 HydrophobicContact CE2-CD2 4.15Å; F980-L1022 HydrophobicContact CZ-CD2 4.14Å; F980-L1037 HydrophobicContact CD2-CD1 4.07Å; F980-L1037 HydrophobicContact CE2-CD1 3.96Å; F980-V1041 HydrophobicContact CB-CG1 4.42Å; F980-V1041 HydrophobicContact CB-CG2 4.03Å; F980-V1041 HydrophobicContact CD2-CG2 3.85Å; F980-V1041 HydrophobicContact CG-CG2 4.45Å |
| 981 | L | 80.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 175.3 | -167.7 | 67.7 | 0 | 0 | 0 | 110.6 | Y940 W942 K977 K978 Q979 F983 L984 T985 S987 I990 L998 | Y940-L981 HydrophobicContact CD1-CD2 4.36Å; Y940-L981 HydrophobicContact CE1-CD2 3.91Å; W942-L981 HydrophobicContact CH2-CB 4.47Å; W942-L981 HydrophobicContact CH2-CD2 4.49Å; K977-L981 PolarHBondContact O-N 3.07Å; K978-L981 WeakPolarHBondContact O-CB 3.12Å; K978-L981 PolarHBondContact O-N 3.35Å; K978-L981 VanDerWaalsContact O-N 3.15Å; Q979-L981 VanDerWaalsContact C-N 3.35Å; L981-F983 VanDerWaalsContact C-N 3.32Å; L981-F983 PolarHBondContact O-N 3Å; L981-L984 PolarHBondContact O-N 2.83Å; L981-L984 VanDerWaalsContact O-N 3.13Å; L981-T985 HydrophobicContact CD1-CG2 3.75Å; L981-T985 HydrophobicContact CG-CG2 4.31Å; L981-T985 PolarHBondContact O-N 3.06Å; L981-T985 PolarHBondContact O-OG1 2.81Å; L981-S987 CarbonylContact C-O 3.58Å; L981-I990 HydrophobicContact CD2-CG1 4.36Å; L981-L998 HydrophobicContact CD1-CD2 3.61Å |
| 982 | L | 76.9 | Confident | 77.4 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.4 | -45.5 | 173.4 | -176.4 | 68.3 | 0 | 0 | 0 | 111.8 | K978 Q979 L984 G986 S987 Y1044 | K978-L982 PolarHBondContact O-N 3.4Å; Q979-L982 WeakPolarHBondContact O-CB 3.33Å; Q979-L982 PolarHBondContact O-N 2.9Å; L982-L984 VanDerWaalsContact C-N 3.33Å; L982-L984 PolarHBondContact O-N 3.35Å; L982-G986 VanDerWaalsContact O-CA 3.23Å; L982-G986 WeakPolarHBondContact O-CA 3.47Å; L982-G986 PolarHBondContact O-N 2.96Å; L982-S987 PolarHBondContact N-O 3.3Å; L982-Y1044 HydrophobicContact CD2-CD2 4.32Å; L982-Y1044 HydrophobicContact CD2-CE1 4.25Å; L982-Y1044 HydrophobicContact CD2-CE2 3.69Å; L982-Y1044 HydrophobicContact CG-CE2 4.46Å |
| 983 | F | 80.6 | Confident | 76.4 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 176.3 | 173.2 | -107.9 | 0 | 0 | 0 | 112.5 | Q979 F980 L981 A1015 T1017 L1022 A1040 V1041 | Q979-F983 VanDerWaalsContact O-CB 3.32Å; Q979-F983 WeakPolarHBondContact O-CB 3.45Å; Q979-F983 PolarHBondContact O-N 2.89Å; F980-F983 HydrophobicContact CD2-CD1 4.43Å; F980-F983 WeakPolarHBondContact O-CB 3.44Å; F980-F983 PolarHBondContact O-N 2.9Å; L981-F983 VanDerWaalsContact C-N 3.32Å; L981-F983 PolarHBondContact O-N 3Å; F983-A1015 HydrophobicContact CD1-CB 3.89Å; F983-A1015 HydrophobicContact CD2-CB 4.43Å; F983-A1015 HydrophobicContact CE1-CB 3.55Å; F983-A1015 HydrophobicContact CE2-CB 4.12Å; F983-A1015 HydrophobicContact CG-CB 4.33Å; F983-A1015 HydrophobicContact CZ-CB 3.67Å; F983-A1015 WeakPolarHBondContact O-CB 3.44Å; F983-T1017 WeakPolarHBondContact O-CG2 3.13Å; F983-L1022 HydrophobicContact CE1-CD1 3.84Å; F983-A1040 HydrophobicContact CE1-CB 4.46Å; F983-A1040 HydrophobicContact CE2-CB 4.44Å; F983-A1040 HydrophobicContact CZ-CB 4.05Å; F983-V1041 HydrophobicContact CD1-CG2 4.32Å; F983-V1041 HydrophobicContact CG-CG2 4.49Å |
| 984 | L | 78.7 | Confident | 75.6 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -86.6 | -36 | -175.1 | -177 | 62.4 | 0 | 0 | 0 | 114.3 | F980 L981 L982 I1000 A1015 T1017 L1022 | F980-L984 HydrophobicContact CE1-CB 4.46Å; F980-L984 HydrophobicContact CE1-CD2 3.93Å; F980-L984 HydrophobicContact CZ-CB 4.48Å; F980-L984 HydrophobicContact CZ-CD2 4.02Å; F980-L984 WeakPolarHBondContact O-CB 3.31Å; F980-L984 PolarHBondContact O-N 3.16Å; L981-L984 PolarHBondContact O-N 2.83Å; L981-L984 VanDerWaalsContact O-N 3.13Å; L982-L984 VanDerWaalsContact C-N 3.33Å; L982-L984 PolarHBondContact O-N 3.35Å; L984-I1000 HydrophobicContact CD2-CB 3.99Å; L984-I1000 HydrophobicContact CD2-CG2 3.53Å; L984-A1015 HydrophobicContact CD1-CB 4.25Å; L984-T1017 VanDerWaalsContact O-CA 3.29Å; L984-T1017 WeakPolarHBondContact O-CA 3.16Å; L984-L1022 HydrophobicContact CD1-CB 3.89Å; L984-L1022 HydrophobicContact CD1-CD1 4.5Å |
| 985 | T | 71.2 | Confident | 75.1 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -115 | -13.8 | -169.3 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | K748 L981 S987 L998 | K748-T985 PolarHBondContact NZ-O 3.13Å; L981-T985 HydrophobicContact CD1-CG2 3.75Å; L981-T985 HydrophobicContact CG-CG2 4.31Å; L981-T985 PolarHBondContact O-N 3.06Å; L981-T985 PolarHBondContact O-OG1 2.81Å; T985-S987 VanDerWaalsContact C-N 3.33Å; T985-S987 PolarHBondContact OG1-N 2.78Å; T985-S987 PolarHBondContact OG1-O 2.79Å; T985-L998 HydrophobicContact CG2-CD1 3.96Å; T985-L998 HydrophobicContact CG2-CD2 4.18Å |
| 986 | G | 67.8 | Low | 74.4 | Confident | 30 Ų | 30 | 33.2 Ų | 33.2 | 31% | 0.309 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 84.2 | 0.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L982 | L982-G986 VanDerWaalsContact O-CA 3.23Å; L982-G986 WeakPolarHBondContact O-CA 3.47Å; L982-G986 PolarHBondContact O-N 2.96Å |
| 987 | S | 69.7 | Low | 73.9 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | trans | -145.8 | 147.9 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | L981 L982 T985 R989 | L981-S987 CarbonylContact C-O 3.58Å; L982-S987 PolarHBondContact N-O 3.3Å; T985-S987 VanDerWaalsContact C-N 3.33Å; T985-S987 PolarHBondContact OG1-N 2.78Å; T985-S987 PolarHBondContact OG1-O 2.79Å; S987-R989 WeakPolarHBondContact OG-CB 3.41Å; S987-R989 PolarHBondContact OG-N 3.26Å; S987-R989 VanDerWaalsContact OG-N 3.11Å | ||
| 988 | D | 69.3 | Low | 73.4 | Confident | 37 Ų | 37 | 32.9 Ų | 32.9 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -84.3 | 1.4 | 170.6 | 78 | -28.4 | 0 | 0 | 0 | 112.7 | Y940 K978 | Y940-D988 VanDerWaalsContact CE1-O 3.27Å; Y940-D988 WeakPolarHBondContact CE1-O 3.39Å; Y940-D988 PolarHBondContact OH-O 3.19Å; K978-D988 HydrophobicContact CB-CB 4.32Å |
| 989 | R | 70.9 | Confident | 73.1 | Confident | 72 Ų | 72 | 38.4 Ų | 38.4 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | trans | -97.3 | 152.7 | 179.1 | -53.8 | -62.8 | -167.2 | -145.8 | -6.5 | 111.7 | V935 N938 S987 | V935-R989 HydrophobicContact CG1-CG 4.14Å; V935-R989 WeakPolarHBondContact O-CB 3.35Å; V935-R989 WeakPolarHBondContact O-CG 3.24Å; N938-R989 PolarHBondContact ND2-NH1 2.8Å; N938-R989 WeakPolarHBondContact OD1-CD 3.26Å; N938-R989 PolarHBondContact OD1-NE 3.2Å; N938-R989 PolarHBondContact OD1-NH1 3.5Å; S987-R989 WeakPolarHBondContact OG-CB 3.41Å; S987-R989 PolarHBondContact OG-N 3.26Å; S987-R989 VanDerWaalsContact OG-N 3.11Å | ||
| 990 | I | 71.6 | Confident | 73.3 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -110.3 | 146.3 | -177.4 | -29.7 | 157.9 | 0 | 0 | 0 | 108.9 | G936 N937 N939 Y940 L981 M995 | G936-I990 CarbonylContact C-O 3.57Å; G936-I990 WeakPolarHBondContact CA-O 3.46Å; N937-I990 PolarHBondContact N-O 3.44Å; N937-I990 WeakPolarHBondContact O-CG1 3.41Å; N937-I990 PolarHBondContact O-N 3.48Å; N939-I990 WeakPolarHBondContact O-CD1 2.96Å; Y940-I990 HydrophobicContact CD1-CD1 3.51Å; Y940-I990 HydrophobicContact CD1-CG1 3.8Å; Y940-I990 HydrophobicContact CE1-CD1 3.9Å; Y940-I990 HydrophobicContact CE1-CG1 3.77Å; Y940-I990 HydrophobicContact CG-CD1 3.98Å; L981-I990 HydrophobicContact CD2-CG1 4.36Å; I990-M995 HydrophobicContact CD1-CE 4Å; I990-M995 HydrophobicContact CD1-CG 4.33Å; I990-M995 HydrophobicContact CG1-CE 4.17Å; I990-M995 HydrophobicContact CG2-CG 4.07Å; I990-M995 HydrophobicContact CG2-SD 4.18Å |
| 991 | P | 68.4 | Low | 73.4 | Confident | 33 Ų | 33 | 36 Ų | 36 | 21% | 0.214 | 19% | 0.186 | C | C | . | . | trans | -57.3 | 156.5 | 171.9 | -23.4 | 32.8 | 0 | 0 | 0 | 112.8 | V804 H993 G994 S997 | V804-P991 HydrophobicContact CG2-CB 4.12Å; V804-P991 HydrophobicContact CG2-CG 4.25Å; P991-H993 PolarHBondContact O-N 3.12Å; P991-H993 VanDerWaalsContact O-N 3.17Å; P991-G994 WeakPolarHBondContact O-CA 3.47Å; P991-G994 PolarHBondContact O-N 2.94Å; P991-S997 WeakPolarHBondContact CB-OG 3.48Å | ||
| 992 | I | 67.4 | Low | 73.7 | Confident | 21 Ų | 21 | 36 Ų | 36 | 11% | 0.108 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.2 | -172.6 | -151.1 | 166.8 | 0 | 0 | 0 | 113.9 | A659 T663 A932 M933 G994 | A659-I992 HydrophobicContact CB-CD1 3.63Å; A659-I992 HydrophobicContact CB-CG1 4.45Å; T663-I992 HydrophobicContact CG2-CG2 3.75Å; A932-I992 HydrophobicContact CB-CD1 4.39Å; M933-I992 HydrophobicContact CB-CD1 4.11Å; I992-G994 PolarHBondContact O-N 2.89Å |
| 993 | H | 65.3 | Low | 74.1 | Confident | 52 Ų | 52 | 37 Ų | 37 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 1.2 | 172.3 | -64.1 | -61.5 | 0 | 0 | 0 | 113.2 | Q660 T664 P991 | Q660-H993 WeakPolarHBondContact CG-ND1 3.49Å; Q660-H993 PolarHBondContact NE2-ND1 2.92Å; T664-H993 PolarHBondContact OG1-CE1 3.43Å; P991-H993 PolarHBondContact O-N 3.12Å; P991-H993 VanDerWaalsContact O-N 3.17Å |
| 994 | G | 69.8 | Low | 74.3 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 22% | 0.216 | 19% | 0.19 | C | C | . | . | trans | 81.5 | -173 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | P991 I992 E996 S997 | P991-G994 WeakPolarHBondContact O-CA 3.47Å; P991-G994 PolarHBondContact O-N 2.94Å; I992-G994 PolarHBondContact O-N 2.89Å; G994-E996 PolarHBondContact O-N 2.8Å; G994-S997 PolarHBondContact O-N 3.1Å; G994-S997 PolarHBondContact O-OG 2.93Å | ||
| 995 | M | 73.8 | Confident | 74.3 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -62.1 | -20.4 | -179.3 | -78.1 | -84.8 | -173.5 | 0 | 0 | 113.2 | Y940 N941 W942 E944 M945 I990 S997 L998 | Y940-M995 HydrophobicContact CD1-CE 3.67Å; Y940-M995 HydrophobicContact CG-CE 4.36Å; N941-M995 WeakPolarHBondContact O-CB 3.16Å; N941-M995 VanDerWaalsContact O-CG 3.31Å; N941-M995 WeakPolarHBondContact O-CG 3.26Å; W942-M995 HydrophobicContact CD2-CE 4.1Å; W942-M995 HydrophobicContact CE3-CE 3.49Å; W942-M995 VanDerWaalsContact CE3-CE 3.49Å; W942-M995 HydrophobicContact CE3-SD 4.45Å; W942-M995 HydrophobicContact CH2-CE 3.78Å; W942-M995 HydrophobicContact CZ2-CE 4.31Å; W942-M995 HydrophobicContact CZ3-CE 3.33Å; E944-M995 HydrophobicContact CB-CB 4.24Å; M945-M995 HydrophobicContact CB-CB 4.49Å; M945-M995 HydrophobicContact CB-SD 3.81Å; M945-M995 HydrophobicContact CG-SD 4.02Å; M945-M995 HydrophobicContact SD-CE 4.45Å; M945-M995 HydrophobicContact SD-SD 3.89Å; I990-M995 HydrophobicContact CD1-CE 4Å; I990-M995 HydrophobicContact CD1-CG 4.33Å; I990-M995 HydrophobicContact CG1-CE 4.17Å; I990-M995 HydrophobicContact CG2-CG 4.07Å; I990-M995 HydrophobicContact CG2-SD 4.18Å; M995-S997 VanDerWaalsContact C-N 3.29Å; M995-S997 PolarHBondContact O-N 3.4Å; M995-L998 PolarHBondContact O-N 2.92Å; M995-L998 VanDerWaalsContact O-N 3.15Å; M995-L998 HydrophobicContact SD-CD2 4.3Å |
| 996 | E | 68.3 | Low | 74.1 | Confident | 125 Ų | 125 | 45 Ų | 45 | 58% | 0.584 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -61.3 | -37.1 | 177.1 | -172.9 | -179.8 | -173.4 | 0 | 0 | 112.9 | N948 G994 L998 | N948-E996 WeakPolarHBondContact ND2-CA 3.4Å; G994-E996 PolarHBondContact O-N 2.8Å; E996-L998 VanDerWaalsContact C-N 3.28Å; E996-L998 PolarHBondContact O-N 3.45Å |
| 997 | S | 70.5 | Confident | 73.9 | Confident | 55 Ų | 55 | 45.2 Ų | 45.2 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -74.2 | -19.8 | 178.1 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | P991 G994 M995 R999 | P991-S997 WeakPolarHBondContact CB-OG 3.48Å; G994-S997 PolarHBondContact O-N 3.1Å; G994-S997 PolarHBondContact O-OG 2.93Å; M995-S997 VanDerWaalsContact C-N 3.29Å; M995-S997 PolarHBondContact O-N 3.4Å; S997-R999 PolarHBondContact O-N 2.82Å |
| 998 | L | 74.4 | Confident | 73.8 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | trans | -84.7 | 93.6 | -178.8 | -170 | 78.9 | 0 | 0 | 0 | 110.4 | M945 L981 T985 M995 E996 I1000 | M945-L998 HydrophobicContact SD-CD2 4.41Å; L981-L998 HydrophobicContact CD1-CD2 3.61Å; T985-L998 HydrophobicContact CG2-CD1 3.96Å; T985-L998 HydrophobicContact CG2-CD2 4.18Å; M995-L998 PolarHBondContact O-N 2.92Å; M995-L998 VanDerWaalsContact O-N 3.15Å; M995-L998 HydrophobicContact SD-CD2 4.3Å; E996-L998 VanDerWaalsContact C-N 3.28Å; E996-L998 PolarHBondContact O-N 3.45Å; L998-I1000 HydrophobicContact CD2-CG2 4.19Å; L998-I1000 HydrophobicContact CG-CG2 4.31Å; L998-I1000 PolarHBondContact O-N 2.9Å | ||
| 999 | R | 76.1 | Confident | 73.7 | Confident | 176 Ų | 176 | 52.4 Ų | 52.4 | 66% | 0.664 | 27% | 0.272 | S | S | * | . | trans | -83 | 108.7 | 172.5 | -69.4 | -178.4 | 179.4 | 174.7 | 1.2 | 110.7 | S997 | S997-R999 PolarHBondContact O-N 2.82Š| ||
| 1000 | I | 84.8 | Confident | 73.7 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -89.1 | 141.1 | 171 | 68.5 | 171 | 0 | 0 | 0 | 110.1 | M945 A949 V950 W966 L984 L998 I1002 | M945-I1000 HydrophobicContact CE-CD1 4.34Å; M945-I1000 HydrophobicContact CG-CD1 4.23Å; M945-I1000 HydrophobicContact CG-CG2 4.38Å; A949-I1000 HydrophobicContact CB-CD1 3.87Å; A949-I1000 HydrophobicContact CB-CG1 3.55Å; V950-I1000 PolarHBondContact N-O 3.36Å; W966-I1000 HydrophobicContact CH2-CD1 3.58Å; W966-I1000 HydrophobicContact CZ2-CD1 3.75Å; L984-I1000 HydrophobicContact CD2-CB 3.99Å; L984-I1000 HydrophobicContact CD2-CG2 3.53Å; L998-I1000 HydrophobicContact CD2-CG2 4.19Å; L998-I1000 HydrophobicContact CG-CG2 4.31Å; L998-I1000 PolarHBondContact O-N 2.9Å; I1000-I1002 HydrophobicContact CD1-CD1 4.32Å | ||
| 1001 | V | 84.6 | Confident | 73.9 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119.2 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | V950 K952 N1020 L1021 L1022 | V950-V1001 HydrophobicContact CB-CG2 4.4Å; V950-V1001 CarbonylContact O-C 3.58Å; V950-V1001 VanDerWaalsContact O-CA 3.26Å; V950-V1001 WeakPolarHBondContact O-CA 3.12Å; K952-V1001 HydrophobicContact CB-CG1 4.36Å; K952-V1001 HydrophobicContact CD-CG1 3.63Å; K952-V1001 HydrophobicContact CG-CG1 3.79Å; V1001-N1020 PolarHBondContact N-O 2.86Å; V1001-L1021 HydrophobicContact CB-CB 4.28Å; V1001-L1021 HydrophobicContact CB-CD1 4.17Å; V1001-L1021 HydrophobicContact CB-CG 4.27Å; V1001-L1021 HydrophobicContact CG1-CD1 3.84Å; V1001-L1021 HydrophobicContact CG1-CG 4.31Å; V1001-L1021 CarbonylContact O-C 3.37Å; V1001-L1021 VanDerWaalsContact O-CA 3.27Å; V1001-L1021 WeakPolarHBondContact O-CA 3.32Å; V1001-L1022 PolarHBondContact O-N 3.2Å |
| 1002 | I | 87.1 | Confident | 74.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.5 | 176.7 | -60 | 171.1 | 0 | 0 | 0 | 108.6 | V950 Y951 K952 Y955 F965 W966 I1000 L1022 M1024 | V950-I1002 PolarHBondContact O-N 2.71Å; Y951-I1002 WeakPolarHBondContact CA-O 3.4Å; Y951-I1002 HydrophobicContact CD1-CB 3.98Å; Y951-I1002 HydrophobicContact CD1-CD1 4.48Å; Y951-I1002 HydrophobicContact CE1-CB 4.26Å; Y951-I1002 HydrophobicContact CE1-CD1 3.88Å; K952-I1002 PolarHBondContact N-O 2.95Å; Y955-I1002 HydrophobicContact CD2-CG2 4Å; Y955-I1002 HydrophobicContact CE2-CG2 4.4Å; F965-I1002 HydrophobicContact CD1-CD1 4.08Å; F965-I1002 HydrophobicContact CE1-CD1 3.81Å; F965-I1002 HydrophobicContact CZ-CD1 4.43Å; W966-I1002 HydrophobicContact CZ2-CD1 4.3Å; I1000-I1002 HydrophobicContact CD1-CD1 4.32Å; I1002-L1022 HydrophobicContact CG1-CB 4.42Å; I1002-M1024 HydrophobicContact CG2-CB 4.46Å; I1002-M1024 HydrophobicContact CG2-CE 4.08Å |
| 1003 | Q | 86.8 | Confident | 75.2 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140.8 | -175.4 | 177.8 | 170.4 | -43.7 | 0 | 0 | 111.3 | K952 L1021 L1022 D1023 M1024 | K952-Q1003 HydrophobicContact CB-CB 4.37Å; K952-Q1003 HydrophobicContact CB-CG 4.46Å; Q1003-L1021 HydrophobicContact CB-CD1 4.48Å; Q1003-L1021 HydrophobicContact CB-CD2 4.45Å; Q1003-L1022 PolarHBondContact N-O 2.99Å; Q1003-D1023 WeakPolarHBondContact CB-OD1 3.41Å; Q1003-D1023 WeakPolarHBondContact CG-OD1 3.42Å; Q1003-M1024 PolarHBondContact O-N 2.83Å |
| 1004 | S | 84.1 | Confident | 76 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.8 | 175.2 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | K952 E954 | K952-S1004 PolarHBondContact O-N 2.86Å; E954-S1004 PolarHBondContact N-OG 3.21Å |
| 1005 | T | 78.8 | Confident | 76.5 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | trans | -101.5 | 149.8 | 173.5 | -35 | 0 | 0 | 0 | 0 | 110.8 | A1007 M1024 | T1005-A1007 HydrophobicContact CG2-CB 3.86Å; T1005-A1007 PolarHBondContact O-N 3.27Å; T1005-M1024 PolarHBondContact N-O 3.38Å | ||
| 1006 | T | 66.2 | Low | 76.6 | Confident | 144 Ų | 144 | 64.7 Ų | 64.7 | 88% | 0.883 | 33% | 0.329 | S | S | * | . | trans | -79.3 | 2 | 172 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1007 | A | 64.9 | Low | 76.7 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -66.3 | 146.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1005 Y1011 | T1005-A1007 HydrophobicContact CG2-CB 3.86Å; T1005-A1007 PolarHBondContact O-N 3.27Å; A1007-Y1011 HydrophobicContact CB-CD2 3.9Å; A1007-Y1011 HydrophobicContact CB-CG 4.25Å |
| 1008 | E | 66.9 | Low | 76.4 | Confident | 131 Ų | 131 | 59.2 Ų | 59.2 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | trans | -64.3 | 157.2 | 177.4 | -68.5 | -175.3 | -161.4 | 0 | 0 | 112.4 | H1010 Y1011 | E1008-H1010 WeakPolarHBondContact CB-CE1 3.46Å; E1008-H1010 WeakPolarHBondContact CB-ND1 3.43Å; E1008-H1010 PolarHBondContact O-N 2.92Å; E1008-H1010 IonicContact OE2-CE1 3.31Å; E1008-H1010 PolarHBondContact OE2-CE1 2.83Å; E1008-H1010 IonicContact OE2-ND1 2.64Å; E1008-H1010 PolarHBondContact OE2-ND1 2.86Å; E1008-Y1011 HydrophobicContact CB-CD2 4.28Å; E1008-Y1011 HydrophobicContact CB-CE2 4.41Å; E1008-Y1011 WeakPolarHBondContact O-CD2 3.45Å; E1008-Y1011 PolarHBondContact O-N 2.9Å; E1008-Y1011 VanDerWaalsContact O-N 3.14Å | ||
| 1009 | E | 67.6 | Low | 76.2 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -13.2 | -176 | -66.8 | -175.9 | -168.9 | 0 | 0 | 115.6 | R1026 Q1028 | E1009-R1026 WeakPolarHBondContact CG-O 3.48Å; E1009-Q1028 WeakPolarHBondContact OE1-CG 3.31Å; E1009-Q1028 PolarHBondContact OE1-NE2 3.16Å |
| 1010 | H | 69.7 | Low | 76.3 | Confident | 92 Ų | 92 | 57.4 Ų | 57.4 | 43% | 0.426 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -16.7 | -179.2 | 65.7 | -96.4 | 0 | 0 | 0 | 113.4 | E1008 | E1008-H1010 WeakPolarHBondContact CB-CE1 3.46Å; E1008-H1010 WeakPolarHBondContact CB-ND1 3.43Å; E1008-H1010 PolarHBondContact O-N 2.92Å; E1008-H1010 IonicContact OE2-CE1 3.31Å; E1008-H1010 PolarHBondContact OE2-CE1 2.83Å; E1008-H1010 IonicContact OE2-ND1 2.64Å; E1008-H1010 PolarHBondContact OE2-ND1 2.86Å |
| 1011 | Y | 76.1 | Confident | 76.2 | Confident | 130 Ų | 130 | 58.3 Ų | 58.3 | 51% | 0.51 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -74.4 | 151.5 | 176.7 | -72.5 | -81 | 0 | 0 | 0 | 112 | A1007 E1008 Y1027 | A1007-Y1011 HydrophobicContact CB-CD2 3.9Å; A1007-Y1011 HydrophobicContact CB-CG 4.25Å; E1008-Y1011 HydrophobicContact CB-CD2 4.28Å; E1008-Y1011 HydrophobicContact CB-CE2 4.41Å; E1008-Y1011 WeakPolarHBondContact O-CD2 3.45Å; E1008-Y1011 PolarHBondContact O-N 2.9Å; E1008-Y1011 VanDerWaalsContact O-N 3.14Å; Y1011-Y1027 PolarHBondContact O-OH 3.04Å |
| 1012 | L | 80.2 | Confident | 76.3 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 152.8 | 173.4 | -68.3 | 170.5 | 0 | 0 | 0 | 110.1 | R1036 Q1039 A1040 | L1012-R1036 HydrophobicContact CD2-CB 4.26Å; L1012-R1036 WeakPolarHBondContact CD2-O 3.22Å; L1012-Q1039 HydrophobicContact CD2-CB 3.87Å; L1012-A1040 HydrophobicContact CB-CB 4.46Å; L1012-A1040 HydrophobicContact CD2-CB 4.48Å |
| 1013 | P | 83.1 | Confident | 76.2 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.032 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 139.8 | 166.5 | 29.3 | -32.3 | 0 | 0 | 0 | 109.7 | L1022 D1023 Y1027 L1037 A1040 | P1013-L1022 HydrophobicContact CB-CD1 4.2Å; P1013-D1023 VanDerWaalsContact CA-O 3.31Å; P1013-D1023 WeakPolarHBondContact CA-O 3.35Å; P1013-Y1027 WeakPolarHBondContact CD-OH 3.3Å; P1013-L1037 HydrophobicContact CG-CD1 4.1Å; P1013-A1040 HydrophobicContact CG-CB 3.71Å |
| 1014 | V | 81.7 | Confident | 76.1 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 47% | 0.473 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.9 | -177.4 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | D1023 | V1014-D1023 HydrophobicContact CB-CB 4.43Å; V1014-D1023 PolarHBondContact N-O 3.05Å; V1014-D1023 PolarHBondContact O-N 2.88Å |
| 1015 | A | 80.2 | Confident | 76.1 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F983 L984 L1021 L1022 | F983-A1015 HydrophobicContact CD1-CB 3.89Å; F983-A1015 HydrophobicContact CD2-CB 4.43Å; F983-A1015 HydrophobicContact CE1-CB 3.55Å; F983-A1015 HydrophobicContact CE2-CB 4.12Å; F983-A1015 HydrophobicContact CG-CB 4.33Å; F983-A1015 HydrophobicContact CZ-CB 3.67Å; F983-A1015 WeakPolarHBondContact O-CB 3.44Å; L984-A1015 HydrophobicContact CD1-CB 4.25Å; A1015-L1021 CarbonylContact C-O 3.48Å; A1015-L1021 WeakPolarHBondContact CA-O 3.47Å; A1015-L1022 HydrophobicContact CB-CD1 4.36Å |
| 1016 | H | 77.6 | Confident | 76.3 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 92.3 | 168.3 | -65.9 | -78.5 | 0 | 0 | 0 | 108.3 | C1018 Y1019 N1020 L1021 D1023 | H1016-C1018 PolarHBondContact O-N 3.01Å; H1016-C1018 VanDerWaalsContact O-N 3.17Å; H1016-Y1019 PolarHBondContact O-N 3.03Å; H1016-Y1019 VanDerWaalsContact O-N 3.08Å; H1016-N1020 PolarHBondContact O-N 2.94Å; H1016-N1020 VanDerWaalsContact O-N 3.16Å; H1016-L1021 HydrophobicContact CB-CB 4.29Å; H1016-L1021 HydrophobicContact CB-CD2 4.43Å; H1016-L1021 PolarHBondContact N-O 3.06Å; H1016-L1021 PolarHBondContact O-N 2.85Å; H1016-L1021 VanDerWaalsContact O-N 3.15Å; H1016-D1023 IonicContact CD2-OD2 2.59Å; H1016-D1023 IonicContact NE2-OD2 2.65Å; H1016-D1023 PolarHBondContact NE2-OD2 3.49Å |
| 1017 | T | 69.5 | Low | 77 | Confident | 46 Ų | 46 | 50.9 Ų | 50.9 | 28% | 0.282 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -26.9 | -172.2 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | K748 F983 L984 Y1019 N1020 | K748-T1017 PolarHBondContact NZ-O 2.99Å; F983-T1017 WeakPolarHBondContact O-CG2 3.13Å; L984-T1017 VanDerWaalsContact O-CA 3.29Å; L984-T1017 WeakPolarHBondContact O-CA 3.16Å; T1017-Y1019 VanDerWaalsContact C-N 3.3Å; T1017-Y1019 PolarHBondContact O-N 3.24Å; T1017-N1020 PolarHBondContact O-OD1 3.09Å |
| 1018 | C | 64.5 | Low | 77.6 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 14% | 0.135 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -30.3 | 178.2 | -40.2 | 0 | 0 | 0 | 0 | 112.7 | E749 H1016 | E749-C1018 HydrophobicContact CB-CB 4.21Å; E749-C1018 VanDerWaalsContact CB-SG 3.54Å; E749-C1018 WeakPolarHBondContact CG-SG 3.47Å; E749-C1018 PolarHBondContact OE2-SG 3.14Å; H1016-C1018 PolarHBondContact O-N 3.01Å; H1016-C1018 VanDerWaalsContact O-N 3.17Å |
| 1019 | Y | 69.3 | Low | 78.4 | Confident | 125 Ų | 125 | 53.5 Ų | 53.5 | 49% | 0.49 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 5 | -178 | -65.1 | -76.4 | 0 | 0 | 0 | 113.2 | H1016 T1017 L1021 | H1016-Y1019 PolarHBondContact O-N 3.03Å; H1016-Y1019 VanDerWaalsContact O-N 3.08Å; T1017-Y1019 VanDerWaalsContact C-N 3.3Å; T1017-Y1019 PolarHBondContact O-N 3.24Å; Y1019-L1021 PolarHBondContact O-N 3.43Å |
| 1020 | N | 79.2 | Confident | 79.2 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 39.8 | -168.7 | -51.5 | -34.3 | 0 | 0 | 0 | 111.3 | K748 V1001 H1016 T1017 | K748-N1020 PolarHBondContact NZ-OD1 2.9Å; V1001-N1020 PolarHBondContact N-O 2.86Å; H1016-N1020 PolarHBondContact O-N 2.94Å; H1016-N1020 VanDerWaalsContact O-N 3.16Å; T1017-N1020 PolarHBondContact O-OD1 3.09Å |
| 1021 | L | 82.9 | Confident | 79.8 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.4 | -172 | -178.6 | 143.6 | 0 | 0 | 0 | 110.2 | V1001 Q1003 A1015 H1016 Y1019 | V1001-L1021 HydrophobicContact CB-CB 4.28Å; V1001-L1021 HydrophobicContact CB-CD1 4.17Å; V1001-L1021 HydrophobicContact CB-CG 4.27Å; V1001-L1021 HydrophobicContact CG1-CD1 3.84Å; V1001-L1021 HydrophobicContact CG1-CG 4.31Å; V1001-L1021 CarbonylContact O-C 3.37Å; V1001-L1021 VanDerWaalsContact O-CA 3.27Å; V1001-L1021 WeakPolarHBondContact O-CA 3.32Å; Q1003-L1021 HydrophobicContact CB-CD1 4.48Å; Q1003-L1021 HydrophobicContact CB-CD2 4.45Å; A1015-L1021 CarbonylContact C-O 3.48Å; A1015-L1021 WeakPolarHBondContact CA-O 3.47Å; H1016-L1021 HydrophobicContact CB-CB 4.29Å; H1016-L1021 HydrophobicContact CB-CD2 4.43Å; H1016-L1021 PolarHBondContact N-O 3.06Å; H1016-L1021 PolarHBondContact O-N 2.85Å; H1016-L1021 VanDerWaalsContact O-N 3.15Å; Y1019-L1021 PolarHBondContact O-N 3.43Å |
| 1022 | L | 86.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 110.1 | 176.7 | -173.6 | 69.8 | 0 | 0 | 0 | 109.3 | F965 F980 F983 L984 V1001 I1002 Q1003 P1013 A1015 | F965-L1022 HydrophobicContact CE2-CD2 3.83Å; F965-L1022 HydrophobicContact CZ-CD2 4.11Å; F980-L1022 HydrophobicContact CE2-CD2 4.15Å; F980-L1022 HydrophobicContact CZ-CD2 4.14Å; F983-L1022 HydrophobicContact CE1-CD1 3.84Å; L984-L1022 HydrophobicContact CD1-CB 3.89Å; L984-L1022 HydrophobicContact CD1-CD1 4.5Å; V1001-L1022 PolarHBondContact O-N 3.2Å; I1002-L1022 HydrophobicContact CG1-CB 4.42Å; Q1003-L1022 PolarHBondContact N-O 2.99Å; P1013-L1022 HydrophobicContact CB-CD1 4.2Å; A1015-L1022 HydrophobicContact CB-CD1 4.36Å |
| 1023 | D | 84.4 | Confident | 80.4 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.5 | 169.4 | -87 | -35.8 | 0 | 0 | 0 | 109.4 | Q1003 P1013 V1014 H1016 | Q1003-D1023 WeakPolarHBondContact CB-OD1 3.41Å; Q1003-D1023 WeakPolarHBondContact CG-OD1 3.42Å; P1013-D1023 VanDerWaalsContact CA-O 3.31Å; P1013-D1023 WeakPolarHBondContact CA-O 3.35Å; V1014-D1023 HydrophobicContact CB-CB 4.43Å; V1014-D1023 PolarHBondContact N-O 3.05Å; V1014-D1023 PolarHBondContact O-N 2.88Å; H1016-D1023 IonicContact CD2-OD2 2.59Å; H1016-D1023 IonicContact NE2-OD2 2.65Å; H1016-D1023 PolarHBondContact NE2-OD2 3.49Å |
| 1024 | M | 85.8 | Confident | 80.5 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 119.2 | -172.9 | -172.4 | -179.2 | 62.7 | 0 | 0 | 111.3 | Y955 T961 V962 F965 I1002 Q1003 T1005 Y1027 L1033 | Y955-M1024 HydrophobicContact CD2-CE 4.23Å; Y955-M1024 HydrophobicContact CE2-CB 4.11Å; Y955-M1024 HydrophobicContact CE2-CE 3.58Å; Y955-M1024 WeakPolarHBondContact CE2-O 3.43Å; Y955-M1024 PolarHBondContact OH-O 3.04Å; T961-M1024 HydrophobicContact CG2-CE 3.73Å; T961-M1024 HydrophobicContact CG2-SD 4.38Å; V962-M1024 HydrophobicContact CG2-CE 4.48Å; F965-M1024 HydrophobicContact CB-CE 4.47Å; F965-M1024 HydrophobicContact CB-SD 4.14Å; F965-M1024 HydrophobicContact CD2-SD 4.04Å; F965-M1024 HydrophobicContact CG-SD 4.3Å; I1002-M1024 HydrophobicContact CG2-CB 4.46Å; I1002-M1024 HydrophobicContact CG2-CE 4.08Å; Q1003-M1024 PolarHBondContact O-N 2.83Å; T1005-M1024 PolarHBondContact N-O 3.38Å; M1024-Y1027 HydrophobicContact CG-CD2 4.2Å; M1024-Y1027 HydrophobicContact CG-CE2 3.87Å; M1024-L1033 HydrophobicContact SD-CD1 4.33Å |
| 1025 | P | 84 | Confident | 80.7 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | trans | -61.9 | 159.2 | 169.8 | -22 | 32.6 | 0 | 0 | 0 | 112.8 | Y955 Y1027 | Y955-P1025 VanDerWaalsContact OH-C 3.3Å; Y955-P1025 PolarHBondContact OH-O 3.33Å; Y955-P1025 VanDerWaalsContact OH-O 3.14Å; P1025-Y1027 HydrophobicContact CB-CE1 4.35Å; P1025-Y1027 HydrophobicContact CB-CE2 4.34Å; P1025-Y1027 HydrophobicContact CG-CE2 4.5Å; P1025-Y1027 VanDerWaalsContact O-CD2 3.26Å; P1025-Y1027 WeakPolarHBondContact O-CD2 3.46Å; P1025-Y1027 WeakPolarHBondContact O-CE2 3.06Å; P1025-Y1027 PolarHBondContact O-N 3.28Å | ||
| 1026 | R | 81.9 | Confident | 80.9 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | trans | -77.9 | 90.9 | 179.3 | -65 | -175 | -152.5 | -161.9 | 5.7 | 111.5 | E954 Y955 E1009 | E954-R1026 IonicContact OE1-CZ 2.89Å; E954-R1026 IonicContact OE1-NH2 2.83Å; E954-R1026 PolarHBondContact OE1-NH2 3.5Å; E954-R1026 IonicContact OE2-CZ 2.91Å; E954-R1026 IonicContact OE2-NH1 3.81Å; E954-R1026 PolarHBondContact OE2-NH1 3.48Å; E954-R1026 IonicContact OE2-NH2 3.28Å; E954-R1026 PolarHBondContact OE2-NH2 2.95Å; Y955-R1026 HydrophobicContact CE1-CG 4.35Å; E1009-R1026 WeakPolarHBondContact CG-O 3.48Å | ||
| 1027 | Y | 82.2 | Confident | 81.2 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | trans | -78.7 | 131.4 | 173.5 | -56.2 | -69.8 | 0 | 0 | 0 | 111.6 | T961 Y1011 P1013 M1024 P1025 T1032 L1033 R1036 | T961-Y1027 HydrophobicContact CG2-CD2 4.48Å; T961-Y1027 PolarHBondContact OG1-O 3.16Å; Y1011-Y1027 PolarHBondContact O-OH 3.04Å; P1013-Y1027 WeakPolarHBondContact CD-OH 3.3Å; M1024-Y1027 HydrophobicContact CG-CD2 4.2Å; M1024-Y1027 HydrophobicContact CG-CE2 3.87Å; P1025-Y1027 HydrophobicContact CB-CE1 4.35Å; P1025-Y1027 HydrophobicContact CB-CE2 4.34Å; P1025-Y1027 HydrophobicContact CG-CE2 4.5Å; P1025-Y1027 VanDerWaalsContact O-CD2 3.26Å; P1025-Y1027 WeakPolarHBondContact O-CD2 3.46Å; P1025-Y1027 WeakPolarHBondContact O-CE2 3.06Å; P1025-Y1027 PolarHBondContact O-N 3.28Å; Y1027-T1032 HydrophobicContact CD1-CG2 4.04Å; Y1027-L1033 HydrophobicContact CD2-CB 4.12Å; Y1027-L1033 HydrophobicContact CD2-CD1 3.97Å; Y1027-L1033 HydrophobicContact CD2-CG 3.88Å; Y1027-L1033 HydrophobicContact CG-CB 4.13Å; Y1027-L1033 HydrophobicContact CG-CG 4.39Å; Y1027-R1036 HydrophobicContact CE1-CB 4.2Å; Y1027-R1036 HydrophobicContact CE1-CG 4.03Å | ||
| 1028 | Q | 77.7 | Confident | 81.9 | Confident | 154 Ų | 154 | 54.7 Ų | 54.7 | 72% | 0.72 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -83.4 | -28.3 | 177.7 | -71.8 | 177.9 | 38 | 0 | 0 | 113.8 | E1009 | E1009-Q1028 WeakPolarHBondContact OE1-CG 3.31Å; E1009-Q1028 PolarHBondContact OE1-NE2 3.16Å |
| 1029 | T | 82.7 | Confident | 82.7 | Confident | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -124.8 | 144.8 | -176.1 | 65.5 | 0 | 0 | 0 | 0 | 113 | E1031 T1032 L1033 | T1029-E1031 VanDerWaalsContact C-N 3.28Å; T1029-E1031 PolarHBondContact O-N 3.34Å; T1029-T1032 PolarHBondContact O-N 3.43Å; T1029-T1032 WeakPolarHBondContact OG1-CB 3.22Å; T1029-T1032 PolarHBondContact OG1-OG1 2.97Å; T1029-L1033 PolarHBondContact O-N 2.9Å; T1029-L1033 VanDerWaalsContact O-N 3.14Å |
| 1030 | K | 85.1 | Confident | 83.3 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 27% | 0.265 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.1 | -40.9 | 177.7 | -168.4 | 171.8 | 177.6 | 163.8 | 0 | 112.6 | L964 E967 V968 E971 L1033 R1034 | L964-K1030 HydrophobicContact CD2-CB 4Å; L964-K1030 HydrophobicContact CD2-CD 4.48Å; L964-K1030 HydrophobicContact CD2-CG 4.32Å; E967-K1030 IonicContact OE2-NZ 2.81Å; E967-K1030 PolarHBondContact OE2-NZ 3.33Å; V968-K1030 HydrophobicContact CG2-CD 4.35Å; V968-K1030 HydrophobicContact CG2-CG 3.54Å; E971-K1030 VanDerWaalsContact OE1-CE 3.23Å; E971-K1030 WeakPolarHBondContact OE1-CE 3.49Å; E971-K1030 IonicContact OE1-NZ 3.81Å; E971-K1030 PolarHBondContact OE1-NZ 3.14Å; K1030-L1033 PolarHBondContact O-N 3.48Å; K1030-R1034 VanDerWaalsContact O-CB 3.32Å; K1030-R1034 WeakPolarHBondContact O-CB 3.39Å; K1030-R1034 PolarHBondContact O-N 3.01Å |
| 1031 | E | 82.4 | Confident | 83.4 | Confident | 161 Ų | 161 | 50.2 Ų | 50.2 | 75% | 0.752 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -66.9 | -40.4 | -178.5 | -67.8 | 171.4 | 171 | 0 | 0 | 112.3 | T1029 R1034 R1035 | T1029-E1031 VanDerWaalsContact C-N 3.28Å; T1029-E1031 PolarHBondContact O-N 3.34Å; E1031-R1034 PolarHBondContact O-N 3.43Å; E1031-R1035 WeakPolarHBondContact O-CB 3.12Å; E1031-R1035 PolarHBondContact O-N 3.05Å |
| 1032 | T | 82.9 | Confident | 83.2 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 176.5 | -52 | 0 | 0 | 0 | 0 | 110.3 | Y1027 T1029 R1035 R1036 | Y1027-T1032 HydrophobicContact CD1-CG2 4.04Å; T1029-T1032 PolarHBondContact O-N 3.43Å; T1029-T1032 WeakPolarHBondContact OG1-CB 3.22Å; T1029-T1032 PolarHBondContact OG1-OG1 2.97Å; T1032-R1035 PolarHBondContact O-N 3.15Å; T1032-R1036 HydrophobicContact CG2-CG 4.28Å; T1032-R1036 WeakPolarHBondContact O-CB 2.99Å; T1032-R1036 WeakPolarHBondContact O-CG 3.41Å; T1032-R1036 PolarHBondContact O-N 2.78Å |
| 1033 | L | 85.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -49 | 176.4 | -169.5 | 155.1 | 0 | 0 | 0 | 110.9 | T961 L964 F965 V968 M1024 Y1027 T1029 K1030 R1035 R1036 L1037 | T961-L1033 HydrophobicContact CG2-CD1 4.22Å; L964-L1033 HydrophobicContact CB-CD1 4.22Å; F965-L1033 HydrophobicContact CB-CD1 4.08Å; F965-L1033 HydrophobicContact CB-CD2 4.46Å; F965-L1033 HydrophobicContact CD2-CD2 4.45Å; V968-L1033 HydrophobicContact CB-CD2 3.9Å; V968-L1033 HydrophobicContact CG1-CD2 3.92Å; V968-L1033 HydrophobicContact CG2-CD2 4.01Å; M1024-L1033 HydrophobicContact SD-CD1 4.33Å; Y1027-L1033 HydrophobicContact CD2-CB 4.12Å; Y1027-L1033 HydrophobicContact CD2-CD1 3.97Å; Y1027-L1033 HydrophobicContact CD2-CG 3.88Å; Y1027-L1033 HydrophobicContact CG-CB 4.13Å; Y1027-L1033 HydrophobicContact CG-CG 4.39Å; T1029-L1033 PolarHBondContact O-N 2.9Å; T1029-L1033 VanDerWaalsContact O-N 3.14Å; K1030-L1033 PolarHBondContact O-N 3.48Å; L1033-R1035 PolarHBondContact O-N 3.19Å; L1033-R1036 PolarHBondContact O-N 3.26Å; L1033-L1037 HydrophobicContact CD2-CB 4.41Å; L1033-L1037 HydrophobicContact CD2-CD2 4.22Å; L1033-L1037 WeakPolarHBondContact O-CB 3.36Å; L1033-L1037 PolarHBondContact O-N 3.03Å |
| 1034 | R | 85.7 | Confident | 81.3 | Confident | 124 Ų | 124 | 63.2 Ų | 63.2 | 47% | 0.468 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 178.5 | -179.9 | 174.3 | 172.2 | 165.7 | -4.5 | 112.4 | V968 E971 F972 K1030 E1031 T1038 | V968-R1034 HydrophobicContact CG1-CB 3.77Å; V968-R1034 HydrophobicContact CG1-CG 4.01Å; V968-R1034 HydrophobicContact CG2-CB 4.08Å; E971-R1034 IonicContact OE2-NH1 2.93Å; E971-R1034 PolarHBondContact OE2-NH1 3.13Å; F972-R1034 HydrophobicContact CE1-CG 4.27Å; K1030-R1034 VanDerWaalsContact O-CB 3.32Å; K1030-R1034 WeakPolarHBondContact O-CB 3.39Å; K1030-R1034 PolarHBondContact O-N 3.01Å; E1031-R1034 PolarHBondContact O-N 3.43Å; R1034-T1038 WeakPolarHBondContact O-CB 3.42Å; R1034-T1038 PolarHBondContact O-N 3.07Å; R1034-T1038 PolarHBondContact O-OG1 3.39Å |
| 1035 | R | 84.5 | Confident | 79.4 | Confident | 142 Ų | 142 | 71 Ų | 71 | 54% | 0.536 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 179.5 | -175.1 | 178.3 | 65.2 | 171.8 | -1.5 | 111.4 | E1031 T1032 L1033 Q1039 | E1031-R1035 WeakPolarHBondContact O-CB 3.12Å; E1031-R1035 PolarHBondContact O-N 3.05Å; T1032-R1035 PolarHBondContact O-N 3.15Å; L1033-R1035 PolarHBondContact O-N 3.19Å; R1035-Q1039 WeakPolarHBondContact O-CB 3.08Å; R1035-Q1039 WeakPolarHBondContact O-CG 2.94Å; R1035-Q1039 PolarHBondContact O-N 3.4Å |
| 1036 | R | 84.6 | Confident | 77 | Confident | 54 Ų | 54 | 73.5 Ų | 73.5 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.2 | -42.8 | -177.8 | -67.1 | -61.6 | -172.8 | -170.9 | 11.6 | 112.5 | L1012 Y1027 T1032 L1033 T1038 Q1039 A1040 | L1012-R1036 HydrophobicContact CD2-CB 4.26Å; L1012-R1036 WeakPolarHBondContact CD2-O 3.22Å; Y1027-R1036 HydrophobicContact CE1-CB 4.2Å; Y1027-R1036 HydrophobicContact CE1-CG 4.03Å; T1032-R1036 HydrophobicContact CG2-CG 4.28Å; T1032-R1036 WeakPolarHBondContact O-CB 2.99Å; T1032-R1036 WeakPolarHBondContact O-CG 3.41Å; T1032-R1036 PolarHBondContact O-N 2.78Å; L1033-R1036 PolarHBondContact O-N 3.26Å; R1036-T1038 VanDerWaalsContact C-N 3.32Å; R1036-T1038 PolarHBondContact O-N 2.98Å; R1036-Q1039 PolarHBondContact O-N 2.87Å; R1036-A1040 WeakPolarHBondContact O-CB 3.28Å; R1036-A1040 PolarHBondContact O-N 3.42Å |
| 1037 | L | 83.6 | Confident | 74.7 | Confident | 4 Ų | 4 | 76.6 Ų | 76.6 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 174.6 | -173.9 | 64.5 | 0 | 0 | 0 | 110.9 | F965 V968 F972 F980 P1013 L1033 A1040 V1041 | F965-L1037 HydrophobicContact CD2-CD2 4.1Å; F965-L1037 HydrophobicContact CE2-CD1 4.24Å; F965-L1037 HydrophobicContact CE2-CD2 3.9Å; V968-L1037 HydrophobicContact CG1-CD2 4.23Å; F972-L1037 HydrophobicContact CE2-CD2 3.71Å; F972-L1037 HydrophobicContact CE2-CG 4.08Å; F972-L1037 HydrophobicContact CZ-CD2 4.09Å; F972-L1037 HydrophobicContact CZ-CG 4.33Å; F980-L1037 HydrophobicContact CD2-CD1 4.07Å; F980-L1037 HydrophobicContact CE2-CD1 3.96Å; P1013-L1037 HydrophobicContact CG-CD1 4.1Å; L1033-L1037 HydrophobicContact CD2-CB 4.41Å; L1033-L1037 HydrophobicContact CD2-CD2 4.22Å; L1033-L1037 WeakPolarHBondContact O-CB 3.36Å; L1033-L1037 PolarHBondContact O-N 3.03Å; L1037-A1040 PolarHBondContact O-N 2.85Å; L1037-V1041 HydrophobicContact CD1-CG2 4.4Å; L1037-V1041 WeakPolarHBondContact O-CB 3.31Å; L1037-V1041 VanDerWaalsContact O-CG2 3.23Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.2Å; L1037-V1041 PolarHBondContact O-N 2.99Å |
| 1038 | T | 84.2 | Confident | 72 | Confident | 21 Ų | 21 | 81.5 Ų | 81.5 | 13% | 0.129 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 174.3 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | R1034 R1036 A1040 V1041 E1042 | R1034-T1038 WeakPolarHBondContact O-CB 3.42Å; R1034-T1038 PolarHBondContact O-N 3.07Å; R1034-T1038 PolarHBondContact O-OG1 3.39Å; R1036-T1038 VanDerWaalsContact C-N 3.32Å; R1036-T1038 PolarHBondContact O-N 2.98Å; T1038-A1040 PolarHBondContact O-N 3.04Å; T1038-V1041 PolarHBondContact O-N 2.83Å; T1038-E1042 HydrophobicContact CG2-CG 4.32Å; T1038-E1042 WeakPolarHBondContact CG2-OE1 3.16Å; T1038-E1042 WeakPolarHBondContact O-CB 3.39Å; T1038-E1042 WeakPolarHBondContact O-CG 3.5Å; T1038-E1042 PolarHBondContact O-N 2.87Å |
| 1039 | Q | 82.8 | Confident | 69.6 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 33% | 0.327 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 177.2 | -79 | 179.3 | -25.7 | 0 | 0 | 112.5 | L1012 R1035 R1036 E1042 Q1043 | L1012-Q1039 HydrophobicContact CD2-CB 3.87Å; R1035-Q1039 WeakPolarHBondContact O-CB 3.08Å; R1035-Q1039 WeakPolarHBondContact O-CG 2.94Å; R1035-Q1039 PolarHBondContact O-N 3.4Å; R1036-Q1039 PolarHBondContact O-N 2.87Å; Q1039-E1042 PolarHBondContact O-N 3.33Å; Q1039-Q1043 WeakPolarHBondContact O-CB 3.06Å; Q1039-Q1043 WeakPolarHBondContact O-CG 3.35Å; Q1039-Q1043 PolarHBondContact O-N 3.11Å; Q1039-Q1043 VanDerWaalsContact O-N 3.17Å |
| 1040 | A | 81.6 | Confident | 66.9 | Low | 5 Ų | 5 | 89 Ų | 89 | 4% | 0.041 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F983 L1012 P1013 R1036 L1037 T1038 Q1043 | F983-A1040 HydrophobicContact CE1-CB 4.46Å; F983-A1040 HydrophobicContact CE2-CB 4.44Å; F983-A1040 HydrophobicContact CZ-CB 4.05Å; L1012-A1040 HydrophobicContact CB-CB 4.46Å; L1012-A1040 HydrophobicContact CD2-CB 4.48Å; P1013-A1040 HydrophobicContact CG-CB 3.71Å; R1036-A1040 WeakPolarHBondContact O-CB 3.28Å; R1036-A1040 PolarHBondContact O-N 3.42Å; L1037-A1040 PolarHBondContact O-N 2.85Å; T1038-A1040 PolarHBondContact O-N 3.04Å; A1040-Q1043 PolarHBondContact O-N 2.88Å |
| 1041 | V | 82 | Confident | 66 | Low | 3 Ų | 3 | 90.4 Ų | 90.4 | 2% | 0.018 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -71.5 | -29 | 179.5 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | Q979 F980 F983 L1037 T1038 Y1044 | Q979-V1041 HydrophobicContact CB-CG1 3.33Å; F980-V1041 HydrophobicContact CB-CG1 4.42Å; F980-V1041 HydrophobicContact CB-CG2 4.03Å; F980-V1041 HydrophobicContact CD2-CG2 3.85Å; F980-V1041 HydrophobicContact CG-CG2 4.45Å; F983-V1041 HydrophobicContact CD1-CG2 4.32Å; F983-V1041 HydrophobicContact CG-CG2 4.49Å; L1037-V1041 HydrophobicContact CD1-CG2 4.4Å; L1037-V1041 WeakPolarHBondContact O-CB 3.31Å; L1037-V1041 VanDerWaalsContact O-CG2 3.23Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.2Å; L1037-V1041 PolarHBondContact O-N 2.99Å; T1038-V1041 PolarHBondContact O-N 2.83Å; V1041-Y1044 VanDerWaalsContact O-CD1 3.3Å; V1041-Y1044 WeakPolarHBondContact O-CD1 3.24Å |
| 1042 | E | 78.1 | Confident | 65.2 | Low | 104 Ų | 104 | 86.6 Ų | 86.6 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -84.8 | -17.8 | 178.4 | -72.4 | 172.2 | -177.5 | 0 | 0 | 113.4 | K976 T1038 Q1039 | K976-E1042 VanDerWaalsContact CE-OE1 3.32Å; K976-E1042 WeakPolarHBondContact CE-OE1 3.23Å; K976-E1042 IonicContact NZ-OE1 3.03Å; K976-E1042 PolarHBondContact NZ-OE1 2.82Å; T1038-E1042 HydrophobicContact CG2-CG 4.32Å; T1038-E1042 WeakPolarHBondContact CG2-OE1 3.16Å; T1038-E1042 WeakPolarHBondContact O-CB 3.39Å; T1038-E1042 WeakPolarHBondContact O-CG 3.5Å; T1038-E1042 PolarHBondContact O-N 2.87Å; Q1039-E1042 PolarHBondContact O-N 3.33Å |
| 1043 | Q | 68.7 | Low | 64.2 | Low | 117 Ų | 117 | 89.7 Ų | 89.7 | 55% | 0.547 | 45% | 0.452 | S | S | . | . | trans | -113.4 | 35.2 | -176.4 | -63.9 | -168.5 | -17.8 | 0 | 0 | 113.8 | Q1039 A1040 E1045 | Q1039-Q1043 WeakPolarHBondContact O-CB 3.06Å; Q1039-Q1043 WeakPolarHBondContact O-CG 3.35Å; Q1039-Q1043 PolarHBondContact O-N 3.11Å; Q1039-Q1043 VanDerWaalsContact O-N 3.17Å; A1040-Q1043 PolarHBondContact O-N 2.88Å; Q1043-E1045 PolarHBondContact O-N 2.86Å | ||
| 1044 | Y | 61 | Low | 63 | Low | 98 Ų | 98 | 94.9 Ų | 94.9 | 38% | 0.384 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -17.6 | -174.7 | 69.7 | -88 | 0 | 0 | 0 | 114.9 | L982 V1041 G1046 | L982-Y1044 HydrophobicContact CD2-CD2 4.32Å; L982-Y1044 HydrophobicContact CD2-CE1 4.25Å; L982-Y1044 HydrophobicContact CD2-CE2 3.69Å; L982-Y1044 HydrophobicContact CG-CE2 4.46Å; V1041-Y1044 VanDerWaalsContact O-CD1 3.3Å; V1041-Y1044 WeakPolarHBondContact O-CD1 3.24Å; Y1044-G1046 VanDerWaalsContact C-N 3.33Å; Y1044-G1046 PolarHBondContact O-N 2.82Å |
| 1045 | E | 46.8 | Very low | 61.5 | Low | 166 Ų | 166 | 93.1 Ų | 93.1 | 78% | 0.776 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -2 | -178.8 | -64.8 | -174.7 | 163.2 | 0 | 0 | 114 | Q1043 | Q1043-E1045 PolarHBondContact O-N 2.86Š|
| 1046 | G | 34.3 | Very low | 60 | Low | 55 Ų | 55 | 89.8 Ų | 89.8 | 57% | 0.567 | 48% | 0.475 | S | S | * | . | trans | -112.1 | 6.4 | -160.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | Y1044 | Y1044-G1046 VanDerWaalsContact C-N 3.33Å; Y1044-G1046 PolarHBondContact O-N 2.82Å | ||
| 1047 | F | 32.5 | Very low | 58.2 | Low | 165 Ų | 165 | 92.4 Ų | 92.4 | 72% | 0.724 | 49% | 0.494 | S | S | * | . | trans | -117.3 | 74 | 177.3 | -74.2 | -80.7 | 0 | 0 | 0 | 111.6 | L1049 | F1047-L1049 VanDerWaalsContact C-N 3.33Å; F1047-L1049 PolarHBondContact O-N 3.33Å | ||
| 1048 | S | 25.8 | Very low | 56.3 | Low | 108 Ų | 108 | 99.2 Ų | 99.2 | 76% | 0.755 | 53% | 0.531 | S | S | * | . | trans | -55.5 | 106.1 | 142.4 | 48.5 | 0 | 0 | 0 | 0 | 107.1 | V1050 | S1048-V1050 PolarHBondContact O-N 3.11Š| ||
| 1049 | L | 27.2 | Very low | 54 | Low | 169 Ų | 169 | 105.7 Ų | 105.7 | 89% | 0.885 | 56% | 0.564 | S | S | * | * | trans | -48.1 | 120 | 163.9 | -80.5 | 141.5 | 0 | 0 | 0 | 107.8 | F1047 | F1047-L1049 VanDerWaalsContact C-N 3.33Å; F1047-L1049 PolarHBondContact O-N 3.33Å | ||
| 1050 | V | 27 | Very low | 51.4 | Low | 208 Ų | 208 | 108.9 Ų | 108.9 | 100% | 1.261 | 59% | 0.586 | S | S | * | * | trans | -69.9 | 0 | 158.6 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | S1048 | S1048-V1050 PolarHBondContact O-N 3.11Š|
Retrieved 1,050 of 1,050 residues in 1897.9 ms
(Link to these results)