A0A077Z735_TRITR Loading...

Autophagy protein 13

AlphaFold DB , UniProt , Accession A0A077Z735, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 548 aa.

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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
1M94.9Very high94.8Very high40 Ų4015.5 Ų15.520%0.19710%0.096CC..  0-65.40-176.5-166.675.800111.8Q3 I4 V5 L78 L103 V106 L165M1-Q3 PolarHBondContact O-N 3.49Å; M1-I4 WeakPolarHBondContact O-CB 3.26Å; M1-I4 PolarHBondContact O-N 2.79Å; M1-I4 VanDerWaalsContact O-N 3.07Å; M1-V5 HydrophobicContact CG-CG2 4.46Å; M1-V5 PolarHBondContact O-N 2.88Å; M1-V5 VanDerWaalsContact O-N 3.12Å; M1-L78 HydrophobicContact CE-CB 4.43Å; M1-L78 HydrophobicContact SD-CB 4.24Å; M1-L103 HydrophobicContact CB-CD2 4.4Å; M1-V106 HydrophobicContact CG-CG1 4.32Å; M1-V106 HydrophobicContact CG-CG2 4.44Å; M1-L165 HydrophobicContact CG-CD1 4.42Å; M1-L165 HydrophobicContact SD-CD1 3.33Å; M1-L165 WeakPolarHBondContact SD-CD1 3.42Å
2I96.4Very high94.3Very high11 Ų1126 Ų266%0.05613%0.132CC..Hα-helixtrans-53.3-50-172.9-67.7169.8000112.7I4 V5 I6 V38 M42 V57 L59 I134I2-I4 VanDerWaalsContact C-N 3.34Å; I2-I4 PolarHBondContact O-N 2.95Å; I2-V5 PolarHBondContact O-N 2.79Å; I2-I6 HydrophobicContact CG2-CD1 3.52Å; I2-I6 HydrophobicContact CG2-CG1 4.38Å; I2-I6 PolarHBondContact O-N 3.06Å; I2-V38 HydrophobicContact CG2-CG1 3.83Å; I2-M42 HydrophobicContact CB-CE 3.71Å; I2-M42 HydrophobicContact CD1-CE 3.87Å; I2-M42 HydrophobicContact CD1-CG 4.4Å; I2-M42 HydrophobicContact CD1-SD 4.43Å; I2-M42 HydrophobicContact CG1-CE 4.36Å; I2-M42 HydrophobicContact CG2-CE 3.76Å; I2-V57 HydrophobicContact CD1-CG1 3.87Å; I2-L59 HydrophobicContact CG1-CB 4.5Å; I2-I134 HydrophobicContact CD1-CD1 4.13Å; I2-I134 HydrophobicContact CD1-CG1 4.36Å; I2-I134 HydrophobicContact CD1-CG2 4.12Å; I2-I134 HydrophobicContact CG2-CD1 3.96Å
3Q95.6Very high93.9Very high15 Ų1539 Ų397%0.0718%0.178CC..Hα-helixtrans-54-47.5176.6-68.7-70.4-1.800112.2M1 V5 I6 E7 V32 E34 S35 T39M1-Q3 PolarHBondContact O-N 3.49Å; Q3-V5 PolarHBondContact O-N 3.3Å; Q3-I6 PolarHBondContact O-N 3.04Å; Q3-E7 VanDerWaalsContact O-CB 3.27Å; Q3-E7 WeakPolarHBondContact O-CB 3.33Å; Q3-E7 VanDerWaalsContact O-CG 3.27Å; Q3-E7 WeakPolarHBondContact O-CG 3.17Å; Q3-E7 PolarHBondContact O-N 2.93Å; Q3-V32 HydrophobicContact CB-CG1 4.06Å; Q3-E34 HydrophobicContact CG-CG 4.32Å; Q3-S35 PolarHBondContact NE2-O 2.83Å; Q3-S35 VanDerWaalsContact OE1-N 3.08Å; Q3-T39 PolarHBondContact NE2-OG1 2.91Å
4I96.1Very high93.5Very high10 Ų1039.1 Ų39.15%0.05118%0.183CC..Hα-helixtrans-59.6-46.3179.5-65.2166.9000111.6M1 I2 S8 V32 L103 V106 L107M1-I4 WeakPolarHBondContact O-CB 3.26Å; M1-I4 PolarHBondContact O-N 2.79Å; M1-I4 VanDerWaalsContact O-N 3.07Å; I2-I4 VanDerWaalsContact C-N 3.34Å; I2-I4 PolarHBondContact O-N 2.95Å; I4-S8 WeakPolarHBondContact O-CB 3.3Å; I4-S8 PolarHBondContact O-N 3.38Å; I4-V32 HydrophobicContact CD1-CG2 4.34Å; I4-V32 HydrophobicContact CG1-CG1 4.06Å; I4-V32 HydrophobicContact CG1-CG2 4.01Å; I4-L103 HydrophobicContact CD1-CB 4.23Å; I4-L103 HydrophobicContact CD1-CD2 3.99Å; I4-V106 HydrophobicContact CB-CG1 4.26Å; I4-V106 HydrophobicContact CG2-CG1 3.84Å; I4-L107 HydrophobicContact CD1-CG 4.22Å; I4-L107 HydrophobicContact CG1-CD2 4.37Å; I4-L107 HydrophobicContact CG2-CB 4.44Å; I4-L107 HydrophobicContact CG2-CD2 3.48Å; I4-L107 VanDerWaalsContact CG2-CD2 3.48Å; I4-L107 HydrophobicContact CG2-CG 3.74Å
5V97.3Very high93.2Very high0 Ų049.9 Ų49.90%022%0.222CC..Hα-helixtrans-68.6-49.6-177.3178.10000109.8M1 I2 Q3 E7 S8 R9 L59 I61 W76 V106M1-V5 HydrophobicContact CG-CG2 4.46Å; M1-V5 PolarHBondContact O-N 2.88Å; M1-V5 VanDerWaalsContact O-N 3.12Å; I2-V5 PolarHBondContact O-N 2.79Å; Q3-V5 PolarHBondContact O-N 3.3Å; V5-E7 PolarHBondContact O-N 3.38Å; V5-S8 PolarHBondContact O-N 3.48Å; V5-S8 VanDerWaalsContact O-N 3.14Å; V5-S8 PolarHBondContact O-OG 3.46Å; V5-R9 WeakPolarHBondContact O-CG 3.03Å; V5-R9 PolarHBondContact O-N 3.19Å; V5-L59 HydrophobicContact CB-CD2 3.69Å; V5-L59 HydrophobicContact CG1-CD2 3.65Å; V5-L59 HydrophobicContact CG2-CD2 4.35Å; V5-I61 HydrophobicContact CG1-CD1 4.31Å; V5-I61 HydrophobicContact CG1-CG1 4.35Å; V5-W76 HydrophobicContact CG1-CD2 4.21Å; V5-W76 HydrophobicContact CG1-CG 4.33Å; V5-W76 HydrophobicContact CG1-CZ2 4.21Å; V5-W76 HydrophobicContact CG2-CD2 3.75Å; V5-W76 HydrophobicContact CG2-CE3 3.86Å; V5-W76 HydrophobicContact CG2-CG 4.3Å; V5-W76 HydrophobicContact CG2-CH2 4.24Å; V5-W76 HydrophobicContact CG2-CZ2 4.15Å; V5-W76 HydrophobicContact CG2-CZ3 4.08Å; V5-V106 HydrophobicContact CG2-CG1 3.85Å
6I96.5Very high92.9Very high2 Ų250.4 Ų50.41%0.0123%0.23CC..Hα-helixtrans-62.9-45.3-177.9-68.3169.7000111.4I2 Q3 S8 R9 Q10 V38 L59 Y132 M195I2-I6 HydrophobicContact CG2-CD1 3.52Å; I2-I6 HydrophobicContact CG2-CG1 4.38Å; I2-I6 PolarHBondContact O-N 3.06Å; Q3-I6 PolarHBondContact O-N 3.04Å; I6-S8 PolarHBondContact O-N 3.25Å; I6-R9 PolarHBondContact O-N 3.21Å; I6-Q10 PolarHBondContact O-N 3.15Å; I6-V38 HydrophobicContact CB-CG2 4.33Å; I6-V38 HydrophobicContact CD1-CB 4.43Å; I6-V38 HydrophobicContact CD1-CG1 3.58Å; I6-V38 HydrophobicContact CD1-CG2 3.98Å; I6-V38 HydrophobicContact CG2-CG2 3.7Å; I6-L59 HydrophobicContact CD1-CD1 4.24Å; I6-L59 HydrophobicContact CG1-CD1 4.36Å; I6-L59 HydrophobicContact CG1-CD2 4.28Å; I6-Y132 HydrophobicContact CD1-CD1 4.19Å; I6-Y132 HydrophobicContact CD1-CD2 3.48Å; I6-Y132 VanDerWaalsContact CD1-CD2 3.48Å; I6-Y132 HydrophobicContact CD1-CE1 4.32Å; I6-Y132 HydrophobicContact CD1-CE2 3.61Å; I6-Y132 HydrophobicContact CD1-CG 3.78Å; I6-Y132 HydrophobicContact CG1-CD1 4.35Å; I6-Y132 HydrophobicContact CG1-CD2 4.29Å; I6-Y132 HydrophobicContact CG1-CG 4.1Å; I6-Y132 HydrophobicContact CG2-CD1 4.32Å; I6-Y132 HydrophobicContact CG2-CE1 4.25Å; I6-M195 HydrophobicContact CG2-CE 4.43Å
7E94.2Very high92.4Very high10 Ų1054.7 Ų54.75%0.04725%0.252CS..Hα-helixtrans-58.1-36.6176.5-76.5-63.4135.200111.9Q3 V5 R9 Q10 R12 V14Q3-E7 VanDerWaalsContact O-CB 3.27Å; Q3-E7 WeakPolarHBondContact O-CB 3.33Å; Q3-E7 VanDerWaalsContact O-CG 3.27Å; Q3-E7 WeakPolarHBondContact O-CG 3.17Å; Q3-E7 PolarHBondContact O-N 2.93Å; V5-E7 PolarHBondContact O-N 3.38Å; E7-R9 PolarHBondContact O-N 3.43Å; E7-Q10 PolarHBondContact O-N 2.8Å; E7-Q10 PolarHBondContact OE1-NE2 3.05Å; E7-Q10 PolarHBondContact OE2-OE1 3.37Å; E7-R12 IonicContact OE1-NH2 2.94Å; E7-R12 IonicContact OE2-CZ 3.85Å; E7-R12 IonicContact OE2-NE 3.11Å; E7-R12 IonicContact OE2-NH2 3.83Å; E7-R12 PolarHBondContact OE2-NH2 3.04Å; E7-V14 HydrophobicContact CB-CG2 4.24Å
8S95.2Very high92Very high10 Ų1062.2 Ų62.27%0.0729%0.29CS..Hα-helixtrans-69.3-16.9175.975.30000114.1I4 V5 I6 Y116I4-S8 WeakPolarHBondContact O-CB 3.3Å; I4-S8 PolarHBondContact O-N 3.38Å; V5-S8 PolarHBondContact O-N 3.48Å; V5-S8 VanDerWaalsContact O-N 3.14Å; V5-S8 PolarHBondContact O-OG 3.46Å; I6-S8 PolarHBondContact O-N 3.25Å; S8-Y116 WeakPolarHBondContact O-CD2 2.99Å; S8-Y116 WeakPolarHBondContact O-CE2 3.15Å
9R95.7Very high91.6Very high0 Ų063.6 Ų63.60%029%0.293CS..Hα-helixtrans-96.6-8.8-178.5-60.2-72170.3-90.47.2113.4V5 I6 E7 G11 I61 E74 S110 T113 Q123 L130 M195V5-R9 WeakPolarHBondContact O-CG 3.03Å; V5-R9 PolarHBondContact O-N 3.19Å; I6-R9 PolarHBondContact O-N 3.21Å; E7-R9 PolarHBondContact O-N 3.43Å; R9-G11 PolarHBondContact O-N 2.91Å; R9-G11 VanDerWaalsContact O-N 3.14Å; R9-I61 HydrophobicContact CG-CD1 4.41Å; R9-E74 IonicContact CZ-OE1 3.74Å; R9-E74 IonicContact CZ-OE2 3.04Å; R9-E74 VanDerWaalsContact CZ-OE2 3.31Å; R9-E74 IonicContact NE-OE1 2.76Å; R9-E74 IonicContact NE-OE2 3.78Å; R9-E74 PolarHBondContact NE-OE2 2.81Å; R9-E74 IonicContact NH2-OE1 3.31Å; R9-E74 PolarHBondContact NH2-OE1 2.98Å; R9-E74 IonicContact NH2-OE2 3.42Å; R9-E74 PolarHBondContact NH2-OE2 2.96Å; R9-S110 PolarHBondContact NH1-O 3Å; R9-S110 PolarHBondContact NH2-O 3.35Å; R9-T113 PolarHBondContact NH2-OG1 2.71Å; R9-T113 VanDerWaalsContact NH2-OG1 3.11Å; R9-Q123 PolarHBondContact O-NE2 3.25Å; R9-L130 HydrophobicContact CB-CD1 4.23Å; R9-M195 HydrophobicContact CB-CE 3.41Å; R9-M195 VanDerWaalsContact CB-CE 3.41Å; R9-M195 HydrophobicContact CB-SD 3.34Å; R9-M195 WeakPolarHBondContact CB-SD 3.26Å; R9-M195 HydrophobicContact CG-CE 4.02Å
10Q92.3Very high91.4Very high36 Ų3673.5 Ų73.517%0.16833%0.327CS..SBendtrans-67.2-10.8177.9-70.1174.38.800114.1I6 E7 R12 Q123I6-Q10 PolarHBondContact O-N 3.15Å; E7-Q10 PolarHBondContact O-N 2.8Å; E7-Q10 PolarHBondContact OE1-NE2 3.05Å; E7-Q10 PolarHBondContact OE2-OE1 3.37Å; Q10-R12 VanDerWaalsContact C-N 3.27Å; Q10-R12 HydrophobicContact CB-CG 4.21Å; Q10-R12 PolarHBondContact O-N 2.82Å; Q10-Q123 PolarHBondContact O-NE2 3.17Å
11G88.2Confident91.1Very high37 Ų3775.7 Ų75.738%0.38135%0.346SS..SBendtrans85.4-9.2178.700000115.1R9 A120R9-G11 PolarHBondContact O-N 2.91Å; R9-G11 VanDerWaalsContact O-N 3.14Å; G11-A120 VanDerWaalsContact CA-C 3.41Å; G11-A120 WeakPolarHBondContact CA-O 3.41Å
12R89.6Confident90.6Very high141 Ų14177 Ų7753%0.53236%0.36SS..SBendtrans-91.2150.4173.564.8-177.5-177.2163.92.2112E7 Q10 V14E7-R12 IonicContact OE1-NH2 2.94Å; E7-R12 IonicContact OE2-CZ 3.85Å; E7-R12 IonicContact OE2-NE 3.11Å; E7-R12 IonicContact OE2-NH2 3.83Å; E7-R12 PolarHBondContact OE2-NH2 3.04Å; Q10-R12 VanDerWaalsContact C-N 3.27Å; Q10-R12 HydrophobicContact CB-CG 4.21Å; Q10-R12 PolarHBondContact O-N 2.82Å; R12-V14 PolarHBondContact O-N 3.06Å
13R88.9Confident90.1Very high195 Ų19583.9 Ų83.974%0.73639%0.385SS*.PPolyproline II helixtrans-74.5118.5169.8-71.5179171.5172.6-5.7109.2
14V87.9Confident89.5Confident41 Ų4192.2 Ų92.225%0.24842%0.424CS..PPolyproline II helixtrans-90.2120.4175.6-176.70000109.3E7 R12E7-V14 HydrophobicContact CB-CG2 4.24Å; R12-V14 PolarHBondContact O-N 3.06Å
15R89Confident89Confident201 Ų20196 Ų9676%0.75845%0.448SS*.  trans-121.9125.8173.4-174.5177.1178.8170.20.2108.7
16T88.3Confident88.6Confident58 Ų5896.8 Ų96.836%0.35645%0.451SS..  trans-118.1146.7169.755.90000108.6S31T16-S31 WeakPolarHBondContact CB-O 3.28Å; T16-S31 VanDerWaalsContact CG2-O 3.31Å; T16-S31 WeakPolarHBondContact CG2-O 3.17Å; T16-S31 PolarHBondContact OG1-O 2.92Å
17M85.4Confident88.3Confident123 Ų123104.4 Ų104.461%0.60648%0.48SS*.  trans-89.8139.4179.2-67.8-61.8-17300109.6
18M85.2Confident88.3Confident190 Ų190106.1 Ų106.194%0.93649%0.488SS*.  trans-65.9134168.1-174.5174.6178.800108.9
19R84.7Confident88.1Confident89 Ų89110 Ų11034%0.33651%0.508SS..  trans-109.7142.4175.3-60-177.5-176.11292.6109.1V21 R23 D26 S31R19-V21 VanDerWaalsContact C-N 3.3Å; R19-V21 VanDerWaalsContact CB-O 3.31Å; R19-V21 WeakPolarHBondContact CB-O 3.45Å; R19-R23 VanDerWaalsContact NH1-CD 3.32Å; R19-D26 IonicContact NH1-OD1 3.79Å; R19-D26 PolarHBondContact NH1-OD1 3.34Å; R19-D26 VanDerWaalsContact NH1-OD1 3.11Å; R19-D26 IonicContact NH1-OD2 2.8Å; R19-D26 PolarHBondContact NH1-OD2 3.06Å; R19-S31 PolarHBondContact NH1-OG 3.41Å
20R86.4Confident87.9Confident261 Ų261111.1 Ų111.199%0.98551%0.513SS*.SBendtrans-69.4-33.7172.5-68.2-174-178.1178.31.2111.7
21V85.9Confident87.9Confident119 Ų119110.7 Ų110.772%0.72152%0.515SS*.SBendtrans-114.7120.9177.6-1750000107.5R19R19-V21 VanDerWaalsContact C-N 3.3Å; R19-V21 VanDerWaalsContact CB-O 3.31Å; R19-V21 WeakPolarHBondContact CB-O 3.45Å
22S85Confident88Confident69 Ų69111.2 Ų111.248%0.48351%0.51SS..  trans-69.8136.8176.9-55.40000109.4
23R85.2Confident88Confident155 Ų155108.1 Ų108.159%0.58550%0.504SS*.  trans-75.4161167.9-63.7-171.3180176.2-4.7109.6R19 T25 D26R19-R23 VanDerWaalsContact NH1-CD 3.32Å; R23-T25 PolarHBondContact O-N 3.13Å; R23-D26 WeakPolarHBondContact CB-OD2 3.35Å; R23-D26 PolarHBondContact N-OD2 2.87Å; R23-D26 PolarHBondContact O-N 3.37Å
24E82.8Confident88Confident190 Ų190104.2 Ų104.289%0.88849%0.494SS*.THydrogen-bonded Turntrans-57-22.3173.7-64.4179.6173.500112.9
25T85Confident88.2Confident90 Ų90103.3 Ų103.355%0.55249%0.489SS*.THydrogen-bonded Turntrans-90.1-8.9177.361.90000114.1R23 W27R23-T25 PolarHBondContact O-N 3.13Å; T25-W27 VanDerWaalsContact O-CD1 3.31Å; T25-W27 PolarHBondContact O-N 3.08Å
26D88.7Confident88.5Confident15 Ų1598.9 Ų98.98%0.0849%0.487CS..  trans-83.565-176.7-69-37000110.5R19 R23 N29 S31R19-D26 IonicContact NH1-OD1 3.79Å; R19-D26 PolarHBondContact NH1-OD1 3.34Å; R19-D26 VanDerWaalsContact NH1-OD1 3.11Å; R19-D26 IonicContact NH1-OD2 2.8Å; R19-D26 PolarHBondContact NH1-OD2 3.06Å; R23-D26 WeakPolarHBondContact CB-OD2 3.35Å; R23-D26 PolarHBondContact N-OD2 2.87Å; R23-D26 PolarHBondContact O-N 3.37Å; D26-N29 PolarHBondContact O-N 3.09Å; D26-S31 PolarHBondContact OD1-OG 3.02Å; D26-S31 VanDerWaalsContact OD1-OG 3.08Å
27W91.3Very high88.7Confident162 Ų162100.1 Ų100.161%0.61449%0.489SS*.G310 helixtrans-60.5142.5179.2-66.695.4000112.2T25 N29 L30T25-W27 VanDerWaalsContact O-CD1 3.31Å; T25-W27 PolarHBondContact O-N 3.08Å; W27-N29 PolarHBondContact O-N 2.93Å; W27-L30 PolarHBondContact O-N 2.89Å
28F93.4Very high89.2Confident47 Ų4794.4 Ų94.421%0.20646%0.461CS..G310 helixtrans59.324.7-179.2-51.8-73.8000114.2L30 Y96 M99 S100 L103F28-L30 PolarHBondContact O-N 3.1Å; F28-Y96 VanDerWaalsContact CA-CZ 3.47Å; F28-Y96 VanDerWaalsContact CA-OH 3.29Å; F28-Y96 WeakPolarHBondContact CA-OH 3.3Å; F28-Y96 AromaticContact CD1-CD2 3.88Å; F28-Y96 HydrophobicContact CD1-CD2 3.88Å; F28-Y96 AromaticContact CD1-CE2 3.84Å; F28-Y96 HydrophobicContact CD1-CE2 3.84Å; F28-Y96 HydrophobicContact CD1-CG 4.44Å; F28-Y96 AromaticContact CE1-CD2 4Å; F28-Y96 HydrophobicContact CE1-CD2 4Å; F28-Y96 HydrophobicContact CE1-CE2 4.16Å; F28-Y96 HydrophobicContact CG-CE2 4.47Å; F28-Y96 PolarHBondContact N-OH 2.86Å; F28-M99 HydrophobicContact CD1-CB 3.72Å; F28-M99 HydrophobicContact CE1-CB 3.63Å; F28-M99 HydrophobicContact CE1-CE 3.53Å; F28-M99 HydrophobicContact CE1-CG 4.27Å; F28-M99 HydrophobicContact CE1-SD 3.67Å; F28-M99 HydrophobicContact CZ-CB 4.47Å; F28-M99 HydrophobicContact CZ-CE 4.19Å; F28-M99 HydrophobicContact CZ-SD 3.97Å; F28-S100 VanDerWaalsContact O-CB 3.26Å; F28-S100 WeakPolarHBondContact O-CB 3.4Å; F28-S100 PolarHBondContact O-OG 3.32Å; F28-L103 HydrophobicContact CB-CD1 3.84Å; F28-L103 HydrophobicContact CD2-CD1 3.36Å; F28-L103 HydrophobicContact CE2-CD1 4.05Å; F28-L103 HydrophobicContact CG-CD1 3.65Å
29N91.4Very high89.5Confident92 Ų9287.1 Ų87.149%0.49243%0.427SS..G310 helixtrans57.334.4-176.6-50.1-28.4000112D26 W27 Y96D26-N29 PolarHBondContact O-N 3.09Å; W27-N29 PolarHBondContact O-N 2.93Å; N29-Y96 PolarHBondContact N-OH 3.31Å; N29-Y96 PolarHBondContact OD1-OH 3.02Å
30L92.1Very high90Very high22 Ų2288.2 Ų88.212%0.11544%0.436CS..  trans-124.4129.4177.9-66.2175.8000109.2W27 F28 V32 L103 R104W27-L30 PolarHBondContact O-N 2.89Å; F28-L30 PolarHBondContact O-N 3.1Å; L30-V32 HydrophobicContact CB-CG2 4.17Å; L30-V32 PolarHBondContact O-N 3.48Å; L30-L103 HydrophobicContact CD1-CB 3.52Å; L30-L103 HydrophobicContact CD1-CD1 4.17Å; L30-R104 HydrophobicContact CD1-CG 4.5Å; L30-R104 HydrophobicContact CD2-CG 4Å
31S91.8Very high90.3Very high28 Ų2876.3 Ų76.320%0.19639%0.392CS..  trans-88.9101.5171.2-155.20000109T16 R19 D26T16-S31 WeakPolarHBondContact CB-O 3.28Å; T16-S31 VanDerWaalsContact CG2-O 3.31Å; T16-S31 WeakPolarHBondContact CG2-O 3.17Å; T16-S31 PolarHBondContact OG1-O 2.92Å; R19-S31 PolarHBondContact NH1-OG 3.41Å; D26-S31 PolarHBondContact OD1-OG 3.02Å; D26-S31 VanDerWaalsContact OD1-OG 3.08Å
32V90.7Very high90.7Very high47 Ų4773 Ų7329%0.28537%0.37SS..  trans-114.4127.2178.1-178.60000107.8Q3 I4 L30 E34Q3-V32 HydrophobicContact CB-CG1 4.06Å; I4-V32 HydrophobicContact CD1-CG2 4.34Å; I4-V32 HydrophobicContact CG1-CG1 4.06Å; I4-V32 HydrophobicContact CG1-CG2 4.01Å; L30-V32 HydrophobicContact CB-CG2 4.17Å; L30-V32 PolarHBondContact O-N 3.48Å; V32-E34 PolarHBondContact O-N 2.84Å
33N88.3Confident91Very high76 Ų7676.7 Ų76.741%0.40638%0.377SS..PPolyproline II helixtrans-73.3120173.3-64.8-22.7000108.3
34E90.2Very high91.4Very high114 Ų11474.3 Ų74.353%0.53337%0.372SS..PPolyproline II helixtrans-91.4124.2178.3-61.2-171168.900109.9Q3 V32Q3-E34 HydrophobicContact CG-CG 4.32Å; V32-E34 PolarHBondContact O-N 2.84Å
35S91.7Very high91.7Very high21 Ų2166.1 Ų66.115%0.14734%0.336CS..PPolyproline II helixtrans-81.1127.9170.7170.70000109.8Q3 E37 V38 T39Q3-S35 PolarHBondContact NE2-O 2.83Å; Q3-S35 VanDerWaalsContact OE1-N 3.08Å; S35-E37 VanDerWaalsContact C-N 3.28Å; S35-E37 PolarHBondContact O-N 3.08Å; S35-E37 PolarHBondContact OG-N 3.36Å; S35-V38 PolarHBondContact O-N 3.08Å; S35-T39 PolarHBondContact O-N 3.07Å; S35-T39 PolarHBondContact O-OG1 2.84Å
36P94.2Very high92Very high108 Ų10862.6 Ų62.670%0.70131%0.314SS*.Hα-helixtrans-64.5-33.4178.326-33.7000112.2T39 Q40P36-T39 PolarHBondContact O-N 3.33Å; P36-Q40 WeakPolarHBondContact O-CB 3.38Å; P36-Q40 PolarHBondContact O-N 2.83Å
37E94.4Very high91.9Very high84 Ų8464 Ų6439%0.39333%0.331SS..Hα-helixtrans-61.7-46.7175.1-175.4-171.2159.800110.7S35 T39 Q40 V41S35-E37 VanDerWaalsContact C-N 3.28Å; S35-E37 PolarHBondContact O-N 3.08Å; S35-E37 PolarHBondContact OG-N 3.36Å; E37-T39 VanDerWaalsContact C-N 3.32Å; E37-T39 PolarHBondContact O-N 2.88Å; E37-Q40 WeakPolarHBondContact O-CB 3.43Å; E37-Q40 PolarHBondContact O-N 3.22Å; E37-V41 WeakPolarHBondContact O-CG2 3.29Å; E37-V41 PolarHBondContact O-N 3.34Å
38V94.3Very high91.5Very high3 Ų365.9 Ų65.92%0.01835%0.347CS..Hα-helixtrans-63.9-40.6177.5174.90000110.9I2 I6 S35 Q40 V41 M42I2-V38 HydrophobicContact CG2-CG1 3.83Å; I6-V38 HydrophobicContact CB-CG2 4.33Å; I6-V38 HydrophobicContact CD1-CB 4.43Å; I6-V38 HydrophobicContact CD1-CG1 3.58Å; I6-V38 HydrophobicContact CD1-CG2 3.98Å; I6-V38 HydrophobicContact CG2-CG2 3.7Å; S35-V38 PolarHBondContact O-N 3.08Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 PolarHBondContact O-N 2.72Å; V38-V41 PolarHBondContact O-N 2.64Å; V38-M42 VanDerWaalsContact O-CB 3.26Å; V38-M42 WeakPolarHBondContact O-CB 3.24Å; V38-M42 PolarHBondContact O-N 3.05Å
39T93Very high91.1Very high37 Ų3770 Ų7023%0.22736%0.361CS..Hα-helixtrans-63.8-38176.2-63.90000111.4Q3 S35 P36 E37 K43Q3-T39 PolarHBondContact NE2-OG1 2.91Å; S35-T39 PolarHBondContact O-N 3.07Å; S35-T39 PolarHBondContact O-OG1 2.84Å; P36-T39 PolarHBondContact O-N 3.33Å; E37-T39 VanDerWaalsContact C-N 3.32Å; E37-T39 PolarHBondContact O-N 2.88Å; T39-K43 HydrophobicContact CG2-CD 4.4Å; T39-K43 VanDerWaalsContact O-CG 3.31Å; T39-K43 WeakPolarHBondContact O-CG 3.46Å; T39-K43 PolarHBondContact O-N 2.86Å
40Q93.9Very high90.6Very high112 Ų11269.2 Ų69.252%0.52336%0.362SS..Hα-helixtrans-65.2-52.2175179176.6-3.600111.4P36 E37 V38 M42 K43 E44P36-Q40 WeakPolarHBondContact O-CB 3.38Å; P36-Q40 PolarHBondContact O-N 2.83Å; E37-Q40 WeakPolarHBondContact O-CB 3.43Å; E37-Q40 PolarHBondContact O-N 3.22Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 PolarHBondContact O-N 2.72Å; Q40-M42 PolarHBondContact O-N 2.81Å; Q40-K43 WeakPolarHBondContact O-CB 3.22Å; Q40-K43 PolarHBondContact O-N 3.11Å; Q40-E44 HydrophobicContact CG-CG 4.41Å; Q40-E44 VanDerWaalsContact CG-OE1 3.25Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.5Å; Q40-E44 PolarHBondContact NE2-OE1 3.36Å; Q40-E44 WeakPolarHBondContact O-CG 3.48Å; Q40-E44 PolarHBondContact O-N 2.8Å
41V93.7Very high90Very high11 Ų1170.8 Ų70.87%0.06737%0.37CS..Hα-helixtrans-58.6-36.7178.41760000111.2E37 V38 E44 S45 Y132 I134 V191E37-V41 WeakPolarHBondContact O-CG2 3.29Å; E37-V41 PolarHBondContact O-N 3.34Å; V38-V41 PolarHBondContact O-N 2.64Å; V41-E44 PolarHBondContact O-N 2.92Å; V41-S45 VanDerWaalsContact O-CB 3.3Å; V41-S45 WeakPolarHBondContact O-CB 3.24Å; V41-S45 PolarHBondContact O-N 2.73Å; V41-S45 PolarHBondContact O-OG 2.54Å; V41-Y132 HydrophobicContact CB-CE2 4.25Å; V41-Y132 HydrophobicContact CG1-CE2 3.88Å; V41-Y132 HydrophobicContact CG2-CE2 4.5Å; V41-I134 HydrophobicContact CG1-CD1 4.08Å; V41-V191 HydrophobicContact CG1-CB 3.95Å; V41-V191 HydrophobicContact CG1-CG1 3.89Å; V41-V191 HydrophobicContact CG2-CG1 4.33Å
42M93Very high89.4Confident51 Ų5172.6 Ų72.625%0.25138%0.38SS..Hα-helixtrans-63.6-46.9174.4-173.5-175.8-51.800112.1I2 V38 Q40 E44 S45 L46 I134I2-M42 HydrophobicContact CB-CE 3.71Å; I2-M42 HydrophobicContact CD1-CE 3.87Å; I2-M42 HydrophobicContact CD1-CG 4.4Å; I2-M42 HydrophobicContact CD1-SD 4.43Å; I2-M42 HydrophobicContact CG1-CE 4.36Å; I2-M42 HydrophobicContact CG2-CE 3.76Å; V38-M42 VanDerWaalsContact O-CB 3.26Å; V38-M42 WeakPolarHBondContact O-CB 3.24Å; V38-M42 PolarHBondContact O-N 3.05Å; Q40-M42 PolarHBondContact O-N 2.81Å; M42-E44 VanDerWaalsContact C-N 3.34Å; M42-S45 PolarHBondContact O-N 2.91Å; M42-L46 HydrophobicContact CG-CD1 3.82Å; M42-L46 HydrophobicContact CG-CG 4.44Å; M42-L46 WeakPolarHBondContact O-CB 3.37Å; M42-L46 WeakPolarHBondContact O-CG 3.18Å; M42-L46 PolarHBondContact O-N 3.19Å; M42-I134 HydrophobicContact CB-CD1 3.98Å; M42-I134 HydrophobicContact CG-CD1 4.5Å
43K92.3Very high89.1Confident145 Ų14576.2 Ų76.263%0.6340%0.398SS*.Hα-helixtrans-62.6-40.8176.7-74.7174.9179.2-177.50111.8T39 Q40 G47T39-K43 HydrophobicContact CG2-CD 4.4Å; T39-K43 VanDerWaalsContact O-CG 3.31Å; T39-K43 WeakPolarHBondContact O-CG 3.46Å; T39-K43 PolarHBondContact O-N 2.86Å; Q40-K43 WeakPolarHBondContact O-CB 3.22Å; Q40-K43 PolarHBondContact O-N 3.11Å; K43-G47 WeakPolarHBondContact O-CA 3.37Å; K43-G47 PolarHBondContact O-N 3.26Å
44E92.9Very high88.9Confident105 Ų10573.1 Ų73.149%0.49138%0.382SS..Hα-helixtrans-68.7-36.6178.3-67.2172.1-176.200112.1Q40 V41 M42 V191Q40-E44 HydrophobicContact CG-CG 4.41Å; Q40-E44 VanDerWaalsContact CG-OE1 3.25Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.5Å; Q40-E44 PolarHBondContact NE2-OE1 3.36Å; Q40-E44 WeakPolarHBondContact O-CG 3.48Å; Q40-E44 PolarHBondContact O-N 2.8Å; V41-E44 PolarHBondContact O-N 2.92Å; M42-E44 VanDerWaalsContact C-N 3.34Å; E44-V191 HydrophobicContact CB-CG2 3.85Å
45S90.2Very high88.9Confident18 Ų1872.5 Ų72.513%0.12638%0.378CS..Hα-helixtrans-78.7-37.9-178.9-56.40000113.2V41 M42 V191V41-S45 VanDerWaalsContact O-CB 3.3Å; V41-S45 WeakPolarHBondContact O-CB 3.24Å; V41-S45 PolarHBondContact O-N 2.73Å; V41-S45 PolarHBondContact O-OG 2.54Å; M42-S45 PolarHBondContact O-N 2.91Å; S45-V191 WeakPolarHBondContact OG-CB 3.07Å; S45-V191 PolarHBondContact OG-N 3.01Å
46L90.8Very high89Confident17 Ų1772.3 Ų72.39%0.08938%0.377CS..Hα-helixtrans-97.2-21.1-175.6-58.4-177.5000113M42 R49 L54 V57 I134 T136M42-L46 HydrophobicContact CG-CD1 3.82Å; M42-L46 HydrophobicContact CG-CG 4.44Å; M42-L46 WeakPolarHBondContact O-CB 3.37Å; M42-L46 WeakPolarHBondContact O-CG 3.18Å; M42-L46 PolarHBondContact O-N 3.19Å; L46-R49 WeakPolarHBondContact O-CB 3.29Å; L46-R49 PolarHBondContact O-N 2.99Å; L46-R49 PolarHBondContact O-NE 3.28Å; L46-R49 VanDerWaalsContact O-NE 3.15Å; L46-R49 PolarHBondContact O-NH2 3.3Å; L46-L54 HydrophobicContact CB-CD1 4.21Å; L46-L54 HydrophobicContact CD1-CD1 4.3Å; L46-L54 HydrophobicContact CD2-CD1 4.15Å; L46-L54 HydrophobicContact CG-CD1 4.45Å; L46-V57 HydrophobicContact CD1-CG1 4.21Å; L46-V57 HydrophobicContact CD1-CG2 4.16Å; L46-V57 HydrophobicContact CD2-CG1 4.24Å; L46-V57 HydrophobicContact CD2-CG2 4.07Å; L46-I134 HydrophobicContact CD2-CG2 4.19Å; L46-I134 HydrophobicContact CG-CG2 4.34Å; L46-T136 HydrophobicContact CD2-CG2 3.98Å
47G86.8Confident89Confident43 Ų4367.8 Ų67.844%0.44335%0.347SS..THydrogen-bonded Turntrans66.8-145.4-170.800000111.6K43K43-G47 WeakPolarHBondContact O-CA 3.37Å; K43-G47 PolarHBondContact O-N 3.26Å
48E83.4Confident89.1Confident202 Ų20263.8 Ų63.894%0.94433%0.329SS*.THydrogen-bonded Turntrans-83.60.7172.2-63.2-174.7165.900113.1
49R84.5Confident89.2Confident133 Ų13363.6 Ų63.650%0.50233%0.328SS..  trans-73138.9-177.8-55.8179.7-68.1-112.2-0.8109.6L46 L54L46-R49 WeakPolarHBondContact O-CB 3.29Å; L46-R49 PolarHBondContact O-N 2.99Å; L46-R49 PolarHBondContact O-NE 3.28Å; L46-R49 VanDerWaalsContact O-NE 3.15Å; L46-R49 PolarHBondContact O-NH2 3.3Å; R49-L54 HydrophobicContact CB-CD1 3.96Å; R49-L54 HydrophobicContact CB-CD2 3.59Å; R49-L54 HydrophobicContact CB-CG 3.58Å; R49-L54 HydrophobicContact CG-CD2 4.42Å; R49-L54 WeakPolarHBondContact O-CD1 3.28Å
50C80.5Confident89.4Confident76 Ų7662 Ų6251%0.51432%0.318SS..  trans-133.3169.6172.563.50000109.4D53 L54C50-D53 WeakPolarHBondContact O-CA 3.26Å; C50-D53 WeakPolarHBondContact O-CB 3.34Å; C50-D53 PolarHBondContact O-N 3.44Å; C50-L54 PolarHBondContact O-N 3.41Å
51M79.6Confident89.6Confident56 Ų5656.6 Ų56.628%0.27629%0.293SS..THydrogen-bonded Turntrans-66.2135167.4-61.8-160.2163.700108.6L54 L78 L80 L163M51-L54 HydrophobicContact CG-CB 4.31Å; M51-L54 WeakPolarHBondContact CG-O 3.47Å; M51-L78 HydrophobicContact CE-CD2 3.99Å; M51-L78 HydrophobicContact CE-CG 3.81Å; M51-L78 HydrophobicContact SD-CD2 4.33Å; M51-L78 HydrophobicContact SD-CG 4.49Å; M51-L80 HydrophobicContact CB-CD2 4.49Å; M51-L80 HydrophobicContact CE-CB 4.36Å; M51-L80 HydrophobicContact SD-CB 4Å; M51-L163 HydrophobicContact SD-CD2 3.42Å; M51-L163 WeakPolarHBondContact SD-CD2 3.4Å
52P79.8Confident89.7Confident65 Ų6556.3 Ų56.342%0.42229%0.291SS..THydrogen-bonded Turncis-89.6-12.818.134.5-36.1000116.4L54 L80P52-L54 PolarHBondContact O-N 3.45Å; P52-L80 HydrophobicContact CB-CD2 3.64Å
53D84.2Confident89.8Confident124 Ų12454.4 Ų54.466%0.66328%0.282SS*.THydrogen-bonded Turntrans-61.1-28.4-178.6-58.1-27.9000112.6C50C50-D53 WeakPolarHBondContact O-CA 3.26Å; C50-D53 WeakPolarHBondContact O-CB 3.34Å; C50-D53 PolarHBondContact O-N 3.44Å
54L84.3Confident89.9Confident10 Ų1050.8 Ų50.85%0.05226%0.264CS..  trans-88.5102.8168.3-68.9178.2000110.8L46 R49 C50 M51 P52 S56 V57 T136L46-L54 HydrophobicContact CB-CD1 4.21Å; L46-L54 HydrophobicContact CD1-CD1 4.3Å; L46-L54 HydrophobicContact CD2-CD1 4.15Å; L46-L54 HydrophobicContact CG-CD1 4.45Å; R49-L54 HydrophobicContact CB-CD1 3.96Å; R49-L54 HydrophobicContact CB-CD2 3.59Å; R49-L54 HydrophobicContact CB-CG 3.58Å; R49-L54 HydrophobicContact CG-CD2 4.42Å; R49-L54 WeakPolarHBondContact O-CD1 3.28Å; C50-L54 PolarHBondContact O-N 3.41Å; M51-L54 HydrophobicContact CG-CB 4.31Å; M51-L54 WeakPolarHBondContact CG-O 3.47Å; P52-L54 PolarHBondContact O-N 3.45Å; L54-S56 VanDerWaalsContact C-N 3.25Å; L54-S56 PolarHBondContact O-N 3.34Å; L54-V57 HydrophobicContact CD1-CG2 4.08Å; L54-T136 HydrophobicContact CD2-CG2 3.96Å
55H89.8Confident89.9Confident101 Ų10147 Ų4747%0.46825%0.248SC..SBendtrans-69-21.8173.5-67-77.5000113.4S79 L80 D82H55-S79 CarbonylContact O-C 3.52Å; H55-S79 VanDerWaalsContact O-CA 3.23Å; H55-S79 WeakPolarHBondContact O-CA 3.41Å; H55-L80 PolarHBondContact O-N 3.41Å; H55-D82 IonicContact CE1-OD2 2.87Å; H55-D82 PolarHBondContact CE1-OD2 3.23Å
56S93.3Very high90Very high17 Ų1750.1 Ų50.112%0.11927%0.267CS..EExtended strand (participates in β ladder)trans-154.4147.4175.2-158.40000113.6L54 K77 L78L54-S56 VanDerWaalsContact C-N 3.25Å; L54-S56 PolarHBondContact O-N 3.34Å; S56-K77 VanDerWaalsContact OG-CE 3.31Å; S56-K77 WeakPolarHBondContact OG-CE 3.44Å; S56-L78 CarbonylContact C-O 3.57Å; S56-L78 VanDerWaalsContact CA-O 3.24Å; S56-L78 WeakPolarHBondContact CA-O 3.41Å; S56-L78 PolarHBondContact OG-O 3.48Å
57V94.8Very high90Very high13 Ų1355.5 Ų55.58%0.07930%0.296CS..EExtended strand (participates in β ladder)trans-129.9126.8169.3178.50000108I2 L46 L54 L78 I134I2-V57 HydrophobicContact CD1-CG1 3.87Å; L46-V57 HydrophobicContact CD1-CG1 4.21Å; L46-V57 HydrophobicContact CD1-CG2 4.16Å; L46-V57 HydrophobicContact CD2-CG1 4.24Å; L46-V57 HydrophobicContact CD2-CG2 4.07Å; L54-V57 HydrophobicContact CD1-CG2 4.08Å; V57-L78 PolarHBondContact N-O 2.88Å; V57-L78 PolarHBondContact O-N 2.88Å; V57-I134 HydrophobicContact CG1-CG2 4.39Å
58V96Very high90.2Very high0 Ų055.7 Ų55.70%030%0.298CS..EExtended strand (participates in β ladder)trans-123.4131.1-174.5-174.60000109.5V60 I75 W76 K77 I134 C135 P138V58-V60 HydrophobicContact CG1-CG2 4.3Å; V58-I75 HydrophobicContact CG1-CG2 3.59Å; V58-W76 CarbonylContact C-O 3.5Å; V58-W76 VanDerWaalsContact CA-O 3.32Å; V58-W76 WeakPolarHBondContact CA-O 3.48Å; V58-K77 HydrophobicContact CG2-CB 4.27Å; V58-K77 HydrophobicContact CG2-CD 4.47Å; V58-K77 HydrophobicContact CG2-CG 4.05Å; V58-I134 WeakPolarHBondContact O-CA 3.48Å; V58-C135 WeakPolarHBondContact CA-O 3.47Å; V58-C135 PolarHBondContact N-O 3.38Å; V58-C135 PolarHBondContact O-N 3.23Å; V58-P138 HydrophobicContact CG2-CB 3.94Å
59L97.6Very high90.6Very high0 Ų049.1 Ų49.10%027%0.267CS..EExtended strand (participates in β ladder)trans-114118172.5169.170.2000108.6I2 V5 I6 I61 W76 Y132 Q133 I134I2-L59 HydrophobicContact CG1-CB 4.5Å; V5-L59 HydrophobicContact CB-CD2 3.69Å; V5-L59 HydrophobicContact CG1-CD2 3.65Å; V5-L59 HydrophobicContact CG2-CD2 4.35Å; I6-L59 HydrophobicContact CD1-CD1 4.24Å; I6-L59 HydrophobicContact CG1-CD1 4.36Å; I6-L59 HydrophobicContact CG1-CD2 4.28Å; L59-I61 HydrophobicContact CD1-CD1 4.18Å; L59-I61 HydrophobicContact CD2-CD1 4.23Å; L59-I61 HydrophobicContact CG-CD1 4.08Å; L59-W76 HydrophobicContact CB-CB 4.15Å; L59-W76 PolarHBondContact N-O 2.96Å; L59-W76 PolarHBondContact O-N 3.3Å; L59-Y132 HydrophobicContact CD1-CD2 4.34Å; L59-Q133 WeakPolarHBondContact CA-O 3.46Å; L59-I134 HydrophobicContact CD1-CG1 4.16Å
60V97Very high90.9Very high2 Ų245.2 Ų45.21%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-99.2129175.5-173.70000108.4V58 D72 E74 Y132 Q133 P139V58-V60 HydrophobicContact CG1-CG2 4.3Å; V60-D72 HydrophobicContact CG1-CB 4.46Å; V60-E74 CarbonylContact C-O 3.54Å; V60-E74 WeakPolarHBondContact CA-O 3.5Å; V60-Y132 CarbonylContact O-C 3.59Å; V60-Y132 VanDerWaalsContact O-CA 3.26Å; V60-Y132 WeakPolarHBondContact O-CA 3.48Å; V60-Q133 HydrophobicContact CB-CB 4.43Å; V60-Q133 PolarHBondContact N-O 3.38Å; V60-Q133 PolarHBondContact O-N 3.18Å; V60-P139 HydrophobicContact CG2-CG 3.72Å
61I97.1Very high91.6Very high0 Ų042.5 Ų42.50%024%0.24CC..EExtended strand (participates in β ladder)trans-106.5121.7170.3-54.8-59.8000107.7V5 R9 L59 L73 E74 V115 M195V5-I61 HydrophobicContact CG1-CD1 4.31Å; V5-I61 HydrophobicContact CG1-CG1 4.35Å; R9-I61 HydrophobicContact CG-CD1 4.41Å; L59-I61 HydrophobicContact CD1-CD1 4.18Å; L59-I61 HydrophobicContact CD2-CD1 4.23Å; L59-I61 HydrophobicContact CG-CD1 4.08Å; I61-L73 WeakPolarHBondContact O-CA 3.5Å; I61-L73 WeakPolarHBondContact O-CB 3.39Å; I61-L73 PolarHBondContact O-N 2.73Å; I61-E74 HydrophobicContact CB-CB 4.08Å; I61-E74 HydrophobicContact CG1-CB 4.29Å; I61-E74 PolarHBondContact N-O 2.83Å; I61-E74 PolarHBondContact O-N 3.41Å; I61-E74 VanDerWaalsContact O-N 3.11Å; I61-V115 HydrophobicContact CG2-CG1 4.25Å; I61-M195 HydrophobicContact CD1-CE 4.07Å
62S95.7Very high92.3Very high5 Ų541.3 Ų41.34%0.03524%0.235CC..EExtended strand (participates in β ladder)trans-125.4156.417965.80000111.2L71 D72 L130 C131S62-L71 CarbonylContact C-O 3.57Å; S62-L71 VanDerWaalsContact CA-O 3.24Å; S62-L71 WeakPolarHBondContact CA-O 3.45Å; S62-L71 WeakPolarHBondContact CB-O 3.43Å; S62-D72 VanDerWaalsContact CB-OD1 3.28Å; S62-D72 WeakPolarHBondContact CB-OD1 3.46Å; S62-L130 WeakPolarHBondContact O-CA 3.37Å; S62-C131 PolarHBondContact N-O 3.21Å; S62-C131 PolarHBondContact O-N 3.38Å
63L95Very high93.1Very high10 Ų1038.2 Ų38.25%0.05222%0.215CC..EExtended strand (participates in β ladder)trans-99.6140168.8178.3152.5000108.3T65 S70 L71 L73 Y119 F128 L130 I175L63-T65 HydrophobicContact CD2-CG2 3.64Å; L63-S70 CarbonylContact O-C 3.53Å; L63-S70 WeakPolarHBondContact O-CA 3.4Å; L63-S70 PolarHBondContact O-OG 3.4Å; L63-S70 VanDerWaalsContact O-OG 3.08Å; L63-L71 PolarHBondContact N-O 3.19Å; L63-L71 PolarHBondContact O-N 3.01Å; L63-L73 HydrophobicContact CB-CD1 3.87Å; L63-L73 HydrophobicContact CB-CD2 4.45Å; L63-L73 HydrophobicContact CB-CG 4.26Å; L63-Y119 HydrophobicContact CD1-CD1 3.6Å; L63-Y119 HydrophobicContact CD1-CE1 3.86Å; L63-F128 HydrophobicContact CD1-CB 4.09Å; L63-F128 HydrophobicContact CD1-CD2 3.41Å; L63-F128 VanDerWaalsContact CD1-CD2 3.41Å; L63-F128 HydrophobicContact CD1-CE2 3.94Å; L63-F128 HydrophobicContact CD1-CG 3.74Å; L63-F128 HydrophobicContact CD2-CB 3.84Å; L63-F128 HydrophobicContact CD2-CG 4.41Å; L63-F128 HydrophobicContact CG-CB 3.87Å; L63-F128 HydrophobicContact CG-CD2 3.78Å; L63-F128 HydrophobicContact CG-CG 4.05Å; L63-L130 HydrophobicContact CB-CD2 4.23Å; L63-I175 HydrophobicContact CD2-CD1 4.25Å
64R94.8Very high93.7Very high69 Ų6932.3 Ų32.326%0.2618%0.184SC..EExtended strand (participates in β ladder)trans-123.2123.4172.1-176.1-177-66.8-81.59.2109.4E69 F128 V129R64-E69 WeakPolarHBondContact CA-O 3.29Å; R64-F128 CarbonylContact O-C 3.5Å; R64-F128 WeakPolarHBondContact O-CA 3.3Å; R64-V129 HydrophobicContact CB-CG2 4.14Å; R64-V129 PolarHBondContact N-O 3.47Å; R64-V129 PolarHBondContact O-N 2.88Å
65T93.6Very high94.3Very high25 Ų2532 Ų3215%0.15318%0.182CC..EExtended strand (participates in β ladder)trans-85164.3175.966.30000111.1L63 N67 G68 E69 S127 I175L63-T65 HydrophobicContact CD2-CG2 3.64Å; T65-N67 PolarHBondContact O-N 3.02Å; T65-N67 PolarHBondContact OG1-N 3.4Å; T65-G68 PolarHBondContact O-N 3.25Å; T65-E69 PolarHBondContact N-O 3.28Å; T65-E69 PolarHBondContact OG1-N 3.04Å; T65-E69 PolarHBondContact OG1-O 3.04Å; T65-S127 WeakPolarHBondContact CA-O 3.26Å; T65-I175 HydrophobicContact CG2-CD1 3.54Å
66T92.1Very high94.7Very high84 Ų8427.2 Ų27.252%0.51516%0.16SC..THydrogen-bonded Turntrans-63-20.2172.544.90000113.8G68 S125 D126 S127T66-G68 PolarHBondContact O-N 3.38Å; T66-S125 VanDerWaalsContact CG2-O 3.29Å; T66-S125 WeakPolarHBondContact CG2-O 2.98Å; T66-D126 VanDerWaalsContact CG2-O 3.24Å; T66-D126 WeakPolarHBondContact CG2-O 3.3Å; T66-D126 PolarHBondContact OG1-O 3.31Å; T66-S127 PolarHBondContact N-O 2.92Å; T66-S127 VanDerWaalsContact N-O 3.1Å
67N90.8Very high94.9Very high131 Ų13129.5 Ų29.570%0.70117%0.167SC*.THydrogen-bonded Turntrans-77.5-4173.8-62.3-22.7000113.2T65 E69T65-N67 PolarHBondContact O-N 3.02Å; T65-N67 PolarHBondContact OG1-N 3.4Å; N67-E69 VanDerWaalsContact C-N 3.32Å; N67-E69 HydrophobicContact CB-CG 4.5Å
68G89.9Confident94.9Very high47 Ų4730.5 Ų30.549%0.48517%0.172SC..SBendtrans86.8-4.3-178.100000114.6T65 T66T65-G68 PolarHBondContact O-N 3.25Å; T66-G68 PolarHBondContact O-N 3.38Å
69E92.6Very high94.9Very high63 Ų6331.6 Ų31.629%0.29418%0.18SC..  trans-67140.9174.5-58.9176.4143.400110.1R64 T65 N67 I175R64-E69 WeakPolarHBondContact CA-O 3.29Å; T65-E69 PolarHBondContact N-O 3.28Å; T65-E69 PolarHBondContact OG1-N 3.04Å; T65-E69 PolarHBondContact OG1-O 3.04Å; N67-E69 VanDerWaalsContact C-N 3.32Å; N67-E69 HydrophobicContact CB-CG 4.5Å; E69-I175 HydrophobicContact CB-CG2 4.3Å
70S91.7Very high94.8Very high52 Ų5232.1 Ų32.136%0.36418%0.183SC..EExtended strand (participates in β ladder)trans-125.2142.5176.2-163.10000111.4L63L63-S70 CarbonylContact O-C 3.53Å; L63-S70 WeakPolarHBondContact O-CA 3.4Å; L63-S70 PolarHBondContact O-OG 3.4Å; L63-S70 VanDerWaalsContact O-OG 3.08Å
71L93.7Very high94.6Very high19 Ų1935 Ų3510%0.09920%0.198CC..EExtended strand (participates in β ladder)trans-132.5116.8-178.1-170.771.3000109.9S62 L63 L73 R170 I175S62-L71 CarbonylContact C-O 3.57Å; S62-L71 VanDerWaalsContact CA-O 3.24Å; S62-L71 WeakPolarHBondContact CA-O 3.45Å; S62-L71 WeakPolarHBondContact CB-O 3.43Å; L63-L71 PolarHBondContact N-O 3.19Å; L63-L71 PolarHBondContact O-N 3.01Å; L71-L73 HydrophobicContact CB-CD2 4.4Å; L71-L73 HydrophobicContact CD2-CD2 3.79Å; L71-L73 HydrophobicContact CG-CD2 3.99Å; L71-L73 WeakPolarHBondContact O-CG 3.47Å; L71-L73 PolarHBondContact O-N 3.26Å; L71-R170 VanDerWaalsContact CD1-CZ 3.41Å; L71-I175 HydrophobicContact CB-CG1 4.23Å; L71-I175 HydrophobicContact CD1-CG1 4.45Å; L71-I175 HydrophobicContact CD2-CG1 3.94Å; L71-I175 HydrophobicContact CG-CG1 4.45Å
72D95.1Very high94.3Very high31 Ų3138.3 Ų38.317%0.16622%0.215CC..EExtended strand (participates in β ladder)trans-71.2130.6173.4-68.2-17.7000110.3V60 S62 L144 R170V60-D72 HydrophobicContact CG1-CB 4.46Å; S62-D72 VanDerWaalsContact CB-OD1 3.28Å; S62-D72 WeakPolarHBondContact CB-OD1 3.46Å; D72-L144 HydrophobicContact CB-CD2 4Å; D72-R170 PolarHBondContact O-NH1 3.48Å
73L96Very high94Very high0 Ų045.4 Ų45.40%025%0.248CC..EExtended strand (participates in β ladder)trans-114.6-39.9-173.3-53.7-177.2000112.3I61 L63 L71 V115 L130 F169 R170 M173I61-L73 WeakPolarHBondContact O-CA 3.5Å; I61-L73 WeakPolarHBondContact O-CB 3.39Å; I61-L73 PolarHBondContact O-N 2.73Å; L63-L73 HydrophobicContact CB-CD1 3.87Å; L63-L73 HydrophobicContact CB-CD2 4.45Å; L63-L73 HydrophobicContact CB-CG 4.26Å; L71-L73 HydrophobicContact CB-CD2 4.4Å; L71-L73 HydrophobicContact CD2-CD2 3.79Å; L71-L73 HydrophobicContact CG-CD2 3.99Å; L71-L73 WeakPolarHBondContact O-CG 3.47Å; L71-L73 PolarHBondContact O-N 3.26Å; L73-V115 HydrophobicContact CB-CG2 3.51Å; L73-V115 HydrophobicContact CD1-CB 4.45Å; L73-V115 HydrophobicContact CD1-CG1 3.86Å; L73-V115 HydrophobicContact CD1-CG2 3.8Å; L73-V115 HydrophobicContact CG-CG2 4.27Å; L73-L130 HydrophobicContact CD1-CD2 3.88Å; L73-F169 CarbonylContact O-C 3.6Å; L73-F169 VanDerWaalsContact O-CA 3.3Å; L73-F169 WeakPolarHBondContact O-CA 3.43Å; L73-R170 PolarHBondContact O-N 2.93Å; L73-M173 HydrophobicContact CD2-CE 4.41Å; L73-M173 HydrophobicContact CD2-SD 3.68Å
74E97.1Very high93.7Very high0 Ų047.3 Ų47.30%026%0.26CS..EExtended strand (participates in β ladder)trans-143145.4-179.2-52.5176.6160.300111.8R9 V60 I61 W76 T113 V115 L167 Q168 F169R9-E74 IonicContact CZ-OE1 3.74Å; R9-E74 IonicContact CZ-OE2 3.04Å; R9-E74 VanDerWaalsContact CZ-OE2 3.31Å; R9-E74 IonicContact NE-OE1 2.76Å; R9-E74 IonicContact NE-OE2 3.78Å; R9-E74 PolarHBondContact NE-OE2 2.81Å; R9-E74 IonicContact NH2-OE1 3.31Å; R9-E74 PolarHBondContact NH2-OE1 2.98Å; R9-E74 IonicContact NH2-OE2 3.42Å; R9-E74 PolarHBondContact NH2-OE2 2.96Å; V60-E74 CarbonylContact C-O 3.54Å; V60-E74 WeakPolarHBondContact CA-O 3.5Å; I61-E74 HydrophobicContact CB-CB 4.08Å; I61-E74 HydrophobicContact CG1-CB 4.29Å; I61-E74 PolarHBondContact N-O 2.83Å; I61-E74 PolarHBondContact O-N 3.41Å; I61-E74 VanDerWaalsContact O-N 3.11Å; E74-W76 PolarHBondContact OE2-NE1 2.88Å; E74-T113 WeakPolarHBondContact OE1-CB 3.32Å; E74-T113 VanDerWaalsContact OE1-CG2 3.26Å; E74-T113 WeakPolarHBondContact OE1-CG2 3.46Å; E74-T113 PolarHBondContact OE1-OG1 2.88Å; E74-V115 HydrophobicContact CG-CB 4.36Å; E74-V115 HydrophobicContact CG-CG2 3.59Å; E74-V115 VanDerWaalsContact OE1-CB 3.29Å; E74-V115 WeakPolarHBondContact OE1-CB 3.4Å; E74-V115 VanDerWaalsContact OE1-CG2 3.3Å; E74-V115 WeakPolarHBondContact OE1-CG2 3.44Å; E74-L167 HydrophobicContact CB-CD1 4.3Å; E74-Q168 CarbonylContact C-O 3.59Å; E74-Q168 VanDerWaalsContact CA-O 3.28Å; E74-Q168 WeakPolarHBondContact CA-O 3.31Å; E74-F169 HydrophobicContact CG-CB 3.96Å
75I97.3Very high93.6Very high4 Ų448.6 Ų48.62%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-124.6115.9169.9-59.7166.3000107.6V58 P139 L144 Q168V58-I75 HydrophobicContact CG1-CG2 3.59Å; I75-P139 HydrophobicContact CD1-CG 3.74Å; I75-P139 HydrophobicContact CG1-CG 4.07Å; I75-L144 HydrophobicContact CB-CD1 4.38Å; I75-L144 HydrophobicContact CD1-CD1 3.64Å; I75-L144 HydrophobicContact CD1-CD2 4.28Å; I75-L144 HydrophobicContact CD1-CG 3.75Å; I75-L144 HydrophobicContact CG1-CD1 3.93Å; I75-L144 HydrophobicContact CG1-CD2 4.19Å; I75-L144 HydrophobicContact CG1-CG 4.16Å; I75-Q168 HydrophobicContact CB-CB 4.46Å; I75-Q168 PolarHBondContact N-O 3.14Å; I75-Q168 PolarHBondContact O-N 3.01Å
76W97.9Very high93.5Very high0 Ų049.7 Ų49.70%028%0.276CS..EExtended strand (participates in β ladder)trans-105113.5174.7-64.279.1000108.5V5 V58 L59 E74 V106 A109 L153 L167V5-W76 HydrophobicContact CG1-CD2 4.21Å; V5-W76 HydrophobicContact CG1-CG 4.33Å; V5-W76 HydrophobicContact CG1-CZ2 4.21Å; V5-W76 HydrophobicContact CG2-CD2 3.75Å; V5-W76 HydrophobicContact CG2-CE3 3.86Å; V5-W76 HydrophobicContact CG2-CG 4.3Å; V5-W76 HydrophobicContact CG2-CH2 4.24Å; V5-W76 HydrophobicContact CG2-CZ2 4.15Å; V5-W76 HydrophobicContact CG2-CZ3 4.08Å; V58-W76 CarbonylContact C-O 3.5Å; V58-W76 VanDerWaalsContact CA-O 3.32Å; V58-W76 WeakPolarHBondContact CA-O 3.48Å; L59-W76 HydrophobicContact CB-CB 4.15Å; L59-W76 PolarHBondContact N-O 2.96Å; L59-W76 PolarHBondContact O-N 3.3Å; E74-W76 PolarHBondContact OE2-NE1 2.88Å; W76-V106 HydrophobicContact CZ3-CG1 4.03Å; W76-A109 HydrophobicContact CH2-CB 4.1Å; W76-A109 HydrophobicContact CZ3-CB 4.45Å; W76-L153 HydrophobicContact CE3-CD1 4.05Å; W76-L153 HydrophobicContact CH2-CD1 4.43Å; W76-L153 HydrophobicContact CZ3-CD1 3.48Å; W76-L153 VanDerWaalsContact CZ3-CD1 3.48Å; W76-L167 HydrophobicContact CD2-CB 4.49Å; W76-L167 HydrophobicContact CD2-CD1 3.75Å; W76-L167 VanDerWaalsContact CE2-CD1 3.43Å; W76-L167 HydrophobicContact CE3-CB 4.18Å; W76-L167 HydrophobicContact CE3-CD1 4.24Å; W76-L167 HydrophobicContact CG-CD1 4.2Å; W76-L167 HydrophobicContact CH2-CD1 4.14Å; W76-L167 HydrophobicContact CH2-CD2 3.68Å; W76-L167 HydrophobicContact CH2-CG 4.32Å; W76-L167 HydrophobicContact CZ2-CD1 3.63Å; W76-L167 HydrophobicContact CZ2-CD2 3.85Å; W76-L167 HydrophobicContact CZ2-CG 4.27Å; W76-L167 HydrophobicContact CZ3-CB 4.22Å; W76-L167 HydrophobicContact CZ3-CD1 4.42Å; W76-L167 HydrophobicContact CZ3-CD2 4.17Å; W76-L167 HydrophobicContact CZ3-CG 4.5Å
77K96.6Very high93.5Very high64 Ų6450.9 Ų50.928%0.27829%0.285SS..EExtended strand (participates in β ladder)trans-118.1121.2-175.7175.2176.4-178.4-179.20110.8S56 V58 P138 L165 T166S56-K77 VanDerWaalsContact OG-CE 3.31Å; S56-K77 WeakPolarHBondContact OG-CE 3.44Å; V58-K77 HydrophobicContact CG2-CB 4.27Å; V58-K77 HydrophobicContact CG2-CD 4.47Å; V58-K77 HydrophobicContact CG2-CG 4.05Å; K77-P138 HydrophobicContact CD-CB 4.34Å; K77-L165 WeakPolarHBondContact O-CA 3.26Å; K77-L165 WeakPolarHBondContact O-CD1 3.34Å; K77-T166 PolarHBondContact N-O 2.83Å; K77-T166 PolarHBondContact O-N 2.86Å
78L96.5Very high93.6Very high35 Ų3549.1 Ų49.118%0.18328%0.283CS..EExtended strand (participates in β ladder)trans-102.5125.9163.7-177.466.7000107.9M1 M51 S56 V57 M102 R164 L165M1-L78 HydrophobicContact CE-CB 4.43Å; M1-L78 HydrophobicContact SD-CB 4.24Å; M51-L78 HydrophobicContact CE-CD2 3.99Å; M51-L78 HydrophobicContact CE-CG 3.81Å; M51-L78 HydrophobicContact SD-CD2 4.33Å; M51-L78 HydrophobicContact SD-CG 4.49Å; S56-L78 CarbonylContact C-O 3.57Å; S56-L78 VanDerWaalsContact CA-O 3.24Å; S56-L78 WeakPolarHBondContact CA-O 3.41Å; S56-L78 PolarHBondContact OG-O 3.48Å; V57-L78 PolarHBondContact N-O 2.88Å; V57-L78 PolarHBondContact O-N 2.88Å; L78-M102 HydrophobicContact CD1-CE 4.43Å; L78-R164 CarbonylContact C-O 3.58Å; L78-R164 WeakPolarHBondContact CA-O 3.4Å; L78-L165 HydrophobicContact CB-CD1 4.3Å; L78-L165 HydrophobicContact CD1-CB 4.23Å; L78-L165 HydrophobicContact CD1-CD1 4.38Å
79S95.2Very high93.8Very high22 Ų2247.2 Ų47.215%0.15426%0.262CS..EExtended strand (participates in β ladder)trans-132.8148.7177.855.80000111.4H55 L163 R164H55-S79 CarbonylContact O-C 3.52Å; H55-S79 VanDerWaalsContact O-CA 3.23Å; H55-S79 WeakPolarHBondContact O-CA 3.41Å; S79-L163 CarbonylContact O-C 3.4Å; S79-L163 WeakPolarHBondContact O-CA 3.32Å; S79-R164 PolarHBondContact N-O 2.94Å; S79-R164 PolarHBondContact O-N 3.36Å
80L95Very high93.8Very high12 Ų1246.5 Ų46.56%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-112.5117.5172.7179.467.5000108.6M51 P52 H55 L163M51-L80 HydrophobicContact CB-CD2 4.49Å; M51-L80 HydrophobicContact CE-CB 4.36Å; M51-L80 HydrophobicContact SD-CB 4Å; P52-L80 HydrophobicContact CB-CD2 3.64Å; H55-L80 PolarHBondContact O-N 3.41Å; L80-L163 HydrophobicContact CB-CD2 4.11Å; L80-L163 HydrophobicContact CD1-CD2 3.74Å; L80-L163 HydrophobicContact CD1-CG 4Å; L80-L163 HydrophobicContact CG-CD2 4.47Å
81D92.8Very high93.9Very high61 Ų6147 Ų4733%0.32626%0.264SS..EExtended strand (participates in β ladder)trans-92.5110170.6-177-3000109.2Q83 G161 T162D81-Q83 VanDerWaalsContact C-N 3.29Å; D81-Q83 VanDerWaalsContact OD1-CB 3.31Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.03Å; D81-Q83 WeakPolarHBondContact OD1-CG 3.25Å; D81-Q83 PolarHBondContact OD1-N 3.46Å; D81-G161 CarbonylContact O-C 3.59Å; D81-G161 WeakPolarHBondContact O-CA 3.46Å; D81-T162 PolarHBondContact N-O 2.77Å; D81-T162 PolarHBondContact O-N 2.87Å
82D90.9Very high93.7Very high70 Ų7057.1 Ų57.137%0.37430%0.301SS..THydrogen-bonded Turntrans-81.1-6.3-17865.8-7.9000113.5H55 I85H55-D82 IonicContact CE1-OD2 2.87Å; H55-D82 PolarHBondContact CE1-OD2 3.23Å; D82-I85 WeakPolarHBondContact O-CD1 3.21Å; D82-I85 WeakPolarHBondContact O-CG1 3.36Å
83Q89.6Confident93.6Very high154 Ų15459.1 Ų59.172%0.7232%0.318SS*.THydrogen-bonded Turntrans-78.6-27.7179-55.7-57.4-4400112.2D81D81-Q83 VanDerWaalsContact C-N 3.29Å; D81-Q83 VanDerWaalsContact OD1-CB 3.31Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.03Å; D81-Q83 WeakPolarHBondContact OD1-CG 3.25Å; D81-Q83 PolarHBondContact OD1-N 3.46Å
84V89.5Confident93.5Very high50 Ų5063.3 Ų63.330%0.30334%0.337SS..SBendtrans-109.791.1-177.7-173.70000109.3G161 T162V84-G161 CarbonylContact O-C 3.23Å; V84-G161 VanDerWaalsContact O-C 3.23Å; V84-G161 VanDerWaalsContact O-CA 3.27Å; V84-G161 WeakPolarHBondContact O-CA 3.37Å; V84-T162 WeakPolarHBondContact CG1-OG1 3.09Å; V84-T162 PolarHBondContact O-N 3.42Å; V84-T162 PolarHBondContact O-OG1 3.18Å
85I91.3Very high93.4Very high97 Ų9763.7 Ų63.750%0.49734%0.339SS..  trans-103.3133.9-179.1-60.3174.9000109.9D82 P159D82-I85 WeakPolarHBondContact O-CD1 3.21Å; D82-I85 WeakPolarHBondContact O-CG1 3.36Å; I85-P159 VanDerWaalsContact CG2-O 3.27Å; I85-P159 WeakPolarHBondContact CG2-O 3.35Å
86D91.6Very high93.3Very high48 Ų4866.7 Ų66.726%0.25735%0.351SS..  trans-118.797.7171.5-174-8.3000110S88 V89 S158 P159D86-S88 PolarHBondContact O-N 2.88Å; D86-S88 WeakPolarHBondContact OD1-CB 3.49Å; D86-S88 PolarHBondContact OD1-N 3.43Å; D86-S88 PolarHBondContact OD1-OG 2.87Å; D86-V89 HydrophobicContact CB-CG2 4.08Å; D86-V89 WeakPolarHBondContact OD2-CG2 3.38Å; D86-S158 PolarHBondContact N-O 3.42Å; D86-S158 CarbonylContact O-C 3.27Å; D86-S158 VanDerWaalsContact O-C 3.27Å; D86-P159 WeakPolarHBondContact O-CA 3.35Å
87P92.3Very high93.2Very high109 Ų10972.3 Ų72.371%0.70838%0.377SS*.THydrogen-bonded Turntrans-72-12.8-178.130.4-34.8000113.2V89P87-V89 VanDerWaalsContact C-N 3.29Å; P87-V89 PolarHBondContact O-N 2.87Å
88S93.7Very high93.2Very high94 Ų9473.8 Ų73.866%0.65738%0.381SS*.THydrogen-bonded Turntrans-77-17.4-17874.80000113.2D86 S90D86-S88 PolarHBondContact O-N 2.88Å; D86-S88 WeakPolarHBondContact OD1-CB 3.49Å; D86-S88 PolarHBondContact OD1-N 3.43Å; D86-S88 PolarHBondContact OD1-OG 2.87Å; S88-S90 PolarHBondContact O-N 3.04Å
89V93.2Very high93.2Very high6 Ų674 Ų744%0.03638%0.381CS..SBendtrans-74.9118.9-175.6176.70000111D86 P87 V91 Q94 L95 P159D86-V89 HydrophobicContact CB-CG2 4.08Å; D86-V89 WeakPolarHBondContact OD2-CG2 3.38Å; P87-V89 VanDerWaalsContact C-N 3.29Å; P87-V89 PolarHBondContact O-N 2.87Å; V89-V91 PolarHBondContact O-N 2.76Å; V89-Q94 HydrophobicContact CG1-CB 4.18Å; V89-L95 HydrophobicContact CG1-CB 4.13Å; V89-P159 VanDerWaalsContact O-CG 3.31Å; V89-P159 WeakPolarHBondContact O-CG 3.27Å
90S93.7Very high93.3Very high48 Ų4873.2 Ų73.234%0.33638%0.376SS..  trans-66.7115.2170.7169.60000110.8S88 R92 S93 Q94 L95S88-S90 PolarHBondContact O-N 3.04Å; S90-R92 PolarHBondContact O-N 2.99Å; S90-S93 WeakPolarHBondContact CB-OG 3.45Å; S90-S93 PolarHBondContact OG-N 3.42Å; S90-S93 PolarHBondContact OG-OG 3.14Å; S90-Q94 WeakPolarHBondContact O-CB 3.41Å; S90-Q94 PolarHBondContact O-N 3.11Å; S90-L95 PolarHBondContact O-N 2.75Å
91V92.2Very high93.3Very high62 Ų6276 Ų7638%0.37639%0.393SS..Iπ-helixtrans-61.7-44.1179.4178.60000111.6V89 L95 Y96 P159 F160V89-V91 PolarHBondContact O-N 2.76Å; V91-L95 HydrophobicContact CG1-CD2 4.3Å; V91-Y96 PolarHBondContact O-N 3.29Å; V91-P159 HydrophobicContact CG2-CG 3.85Å; V91-F160 HydrophobicContact CG2-CE2 4.04Å
92R90.9Very high93.5Very high232 Ų23273.9 Ų73.988%0.87538%0.382SS*.Iπ-helixtrans-73.5-34.9-172.7-71.1-170.6178.1124.3-1.1113.7S90 Y96S90-R92 PolarHBondContact O-N 2.99Å; R92-Y96 WeakPolarHBondContact O-CB 3.43Å
93S91.9Very high93.8Very high73 Ų7371.6 Ų71.651%0.5137%0.369SS..Iπ-helixtrans-104.3-61.3-176.556.20000112S90 H97S90-S93 WeakPolarHBondContact CB-OG 3.45Å; S90-S93 PolarHBondContact OG-N 3.42Å; S90-S93 PolarHBondContact OG-OG 3.14Å; S93-H97 VanDerWaalsContact O-CB 3.26Å; S93-H97 WeakPolarHBondContact O-CB 3.48Å; S93-H97 PolarHBondContact O-N 2.91Å; S93-H97 VanDerWaalsContact O-N 3.14Å
94Q94.7Very high94.2Very high88 Ų8870.8 Ų70.841%0.41136%0.36SS..Iπ-helixtrans-73-51.2-172.2-66.3178.6-6.700112V89 S90 H97 R98V89-Q94 HydrophobicContact CG1-CB 4.18Å; S90-Q94 WeakPolarHBondContact O-CB 3.41Å; S90-Q94 PolarHBondContact O-N 3.11Å; Q94-H97 PolarHBondContact O-N 3.31Å; Q94-R98 WeakPolarHBondContact O-CB 3.45Å; Q94-R98 VanDerWaalsContact O-CG 3.27Å; Q94-R98 WeakPolarHBondContact O-CG 3.31Å; Q94-R98 PolarHBondContact O-N 3.48Å
95L94.9Very high94.5Very high8 Ų870.3 Ų70.34%0.04236%0.359CS..Iπ-helixtrans-66.6-43.2-177.4-171.765.2000111.2V89 S90 V91 H97 R98 M99 L156V89-L95 HydrophobicContact CG1-CB 4.13Å; S90-L95 PolarHBondContact O-N 2.75Å; V91-L95 HydrophobicContact CG1-CD2 4.3Å; L95-H97 PolarHBondContact O-N 3.32Å; L95-R98 PolarHBondContact O-N 3.37Å; L95-M99 HydrophobicContact CD2-CE 4.15Å; L95-M99 HydrophobicContact CG-CE 3.8Å; L95-M99 HydrophobicContact CG-CG 4.43Å; L95-M99 WeakPolarHBondContact O-CB 3.23Å; L95-M99 VanDerWaalsContact O-CG 3.31Å; L95-M99 WeakPolarHBondContact O-CG 3.24Å; L95-M99 PolarHBondContact O-N 3.28Å; L95-L156 HydrophobicContact CD1-CB 4.12Å; L95-L156 HydrophobicContact CD1-CD1 4.46Å
96Y95.5Very high94.8Very high67 Ų6765.7 Ų65.726%0.26334%0.335SS..Hα-helixtrans-57-47175.2-172.7-93.2000112.4F28 N29 V91 R92 M99 S100F28-Y96 VanDerWaalsContact CA-CZ 3.47Å; F28-Y96 VanDerWaalsContact CA-OH 3.29Å; F28-Y96 WeakPolarHBondContact CA-OH 3.3Å; F28-Y96 AromaticContact CD1-CD2 3.88Å; F28-Y96 HydrophobicContact CD1-CD2 3.88Å; F28-Y96 AromaticContact CD1-CE2 3.84Å; F28-Y96 HydrophobicContact CD1-CE2 3.84Å; F28-Y96 HydrophobicContact CD1-CG 4.44Å; F28-Y96 AromaticContact CE1-CD2 4Å; F28-Y96 HydrophobicContact CE1-CD2 4Å; F28-Y96 HydrophobicContact CE1-CE2 4.16Å; F28-Y96 HydrophobicContact CG-CE2 4.47Å; F28-Y96 PolarHBondContact N-OH 2.86Å; N29-Y96 PolarHBondContact N-OH 3.31Å; N29-Y96 PolarHBondContact OD1-OH 3.02Å; V91-Y96 PolarHBondContact O-N 3.29Å; R92-Y96 WeakPolarHBondContact O-CB 3.43Å; Y96-M99 PolarHBondContact O-N 2.93Å; Y96-S100 PolarHBondContact O-N 3.39Å
97H95.7Very high95Very high118 Ų11866 Ų6655%0.54634%0.336SS..Hα-helixtrans-63.5-46.9176.7179.874.1000112S93 Q94 L95 M99 S100 V101S93-H97 VanDerWaalsContact O-CB 3.26Å; S93-H97 WeakPolarHBondContact O-CB 3.48Å; S93-H97 PolarHBondContact O-N 2.91Å; S93-H97 VanDerWaalsContact O-N 3.14Å; Q94-H97 PolarHBondContact O-N 3.31Å; L95-H97 PolarHBondContact O-N 3.32Å; H97-M99 VanDerWaalsContact C-N 3.32Å; H97-M99 PolarHBondContact O-N 3.18Å; H97-S100 VanDerWaalsContact O-CB 3.27Å; H97-S100 WeakPolarHBondContact O-CB 3.4Å; H97-S100 PolarHBondContact O-N 3.11Å; H97-S100 VanDerWaalsContact O-N 3.09Å; H97-V101 PolarHBondContact O-N 3.09Å
98R96.6Very high95.2Very high95 Ų9564 Ų6436%0.35832%0.324SS..Hα-helixtrans-62.4-37.3178.4-74.2178.3177.1177.9-0.8112.4Q94 L95 V101 M102 L156Q94-R98 WeakPolarHBondContact O-CB 3.45Å; Q94-R98 VanDerWaalsContact O-CG 3.27Å; Q94-R98 WeakPolarHBondContact O-CG 3.31Å; Q94-R98 PolarHBondContact O-N 3.48Å; L95-R98 PolarHBondContact O-N 3.37Å; R98-V101 PolarHBondContact O-N 3.17Å; R98-M102 WeakPolarHBondContact O-CB 3.49Å; R98-M102 PolarHBondContact O-N 3.08Å; R98-L156 HydrophobicContact CB-CD1 4.1Å; R98-L156 HydrophobicContact CB-CD2 3.75Å; R98-L156 HydrophobicContact CB-CG 4.48Å
99M96.5Very high95.3Very high39 Ų3959.7 Ų59.719%0.19229%0.294CS..Hα-helixtrans-64.1-40.1172.3-75.7-167.9-79.400112F28 L95 Y96 H97 V101 M102 L103 L156 L163F28-M99 HydrophobicContact CD1-CB 3.72Å; F28-M99 HydrophobicContact CE1-CB 3.63Å; F28-M99 HydrophobicContact CE1-CE 3.53Å; F28-M99 HydrophobicContact CE1-CG 4.27Å; F28-M99 HydrophobicContact CE1-SD 3.67Å; F28-M99 HydrophobicContact CZ-CB 4.47Å; F28-M99 HydrophobicContact CZ-CE 4.19Å; F28-M99 HydrophobicContact CZ-SD 3.97Å; L95-M99 HydrophobicContact CD2-CE 4.15Å; L95-M99 HydrophobicContact CG-CE 3.8Å; L95-M99 HydrophobicContact CG-CG 4.43Å; L95-M99 WeakPolarHBondContact O-CB 3.23Å; L95-M99 VanDerWaalsContact O-CG 3.31Å; L95-M99 WeakPolarHBondContact O-CG 3.24Å; L95-M99 PolarHBondContact O-N 3.28Å; Y96-M99 PolarHBondContact O-N 2.93Å; H97-M99 VanDerWaalsContact C-N 3.32Å; H97-M99 PolarHBondContact O-N 3.18Å; M99-V101 PolarHBondContact O-N 3.14Å; M99-M102 PolarHBondContact O-N 3.25Å; M99-L103 WeakPolarHBondContact O-CG 3.33Å; M99-L103 PolarHBondContact O-N 3.38Å; M99-L156 HydrophobicContact CB-CD1 4.35Å; M99-L156 HydrophobicContact CG-CD1 3.68Å; M99-L163 HydrophobicContact SD-CD1 4.48Å
100S96.1Very high95.5Very high6 Ų659.5 Ų59.54%0.04229%0.293CS..Hα-helixtrans-58.4-46.7173.3-173.70000111.7F28 Y96 H97 L103 R104F28-S100 VanDerWaalsContact O-CB 3.26Å; F28-S100 WeakPolarHBondContact O-CB 3.4Å; F28-S100 PolarHBondContact O-OG 3.32Å; Y96-S100 PolarHBondContact O-N 3.39Å; H97-S100 VanDerWaalsContact O-CB 3.27Å; H97-S100 WeakPolarHBondContact O-CB 3.4Å; H97-S100 PolarHBondContact O-N 3.11Å; H97-S100 VanDerWaalsContact O-N 3.09Å; S100-L103 PolarHBondContact O-N 3.48Å; S100-R104 WeakPolarHBondContact O-CG 3.43Å; S100-R104 PolarHBondContact O-N 3.41Å
101V96.7Very high95.6Very high70 Ų7062.1 Ų62.142%0.42430%0.296SS..Hα-helixtrans-61.6-45.8176.3177.70000110.9H97 R98 M99 L103 R104 S105H97-V101 PolarHBondContact O-N 3.09Å; R98-V101 PolarHBondContact O-N 3.17Å; M99-V101 PolarHBondContact O-N 3.14Å; V101-L103 VanDerWaalsContact C-N 3.32Å; V101-L103 PolarHBondContact O-N 3.1Å; V101-R104 WeakPolarHBondContact O-CB 3.4Å; V101-R104 PolarHBondContact O-N 3.06Å; V101-R104 VanDerWaalsContact O-N 3.09Å; V101-S105 PolarHBondContact O-N 3.22Å; V101-S105 PolarHBondContact O-OG 3.02Å
102M97.1Very high95.6Very high17 Ų1760.3 Ų60.38%0.08429%0.286CS..Hα-helixtrans-59.7-40177.2-174.2174.565.200112.4L78 R98 M99 S105 V106 L156 L165L78-M102 HydrophobicContact CD1-CE 4.43Å; R98-M102 WeakPolarHBondContact O-CB 3.49Å; R98-M102 PolarHBondContact O-N 3.08Å; M99-M102 PolarHBondContact O-N 3.25Å; M102-S105 WeakPolarHBondContact O-CB 3.23Å; M102-S105 PolarHBondContact O-N 3.21Å; M102-V106 WeakPolarHBondContact O-CG2 3.48Å; M102-V106 PolarHBondContact O-N 3.47Å; M102-L156 HydrophobicContact CB-CD1 4.28Å; M102-L156 HydrophobicContact CE-CD1 3.72Å; M102-L156 HydrophobicContact CE-CG 4.43Å; M102-L156 HydrophobicContact SD-CD1 3.91Å; M102-L156 HydrophobicContact SD-CG 4.04Å; M102-L165 HydrophobicContact CG-CB 4.45Å; M102-L165 HydrophobicContact CG-CD2 3.75Å; M102-L165 HydrophobicContact SD-CB 3.81Å; M102-L165 HydrophobicContact SD-CD2 4.07Å
103L97.3Very high95.9Very high22 Ų2249.4 Ų49.412%0.11525%0.245CC..Hα-helixtrans-69-31.1175.6-70.5172.9000112.9M1 I4 F28 L30 M99 S100 V101 V106 L107M1-L103 HydrophobicContact CB-CD2 4.4Å; I4-L103 HydrophobicContact CD1-CB 4.23Å; I4-L103 HydrophobicContact CD1-CD2 3.99Å; F28-L103 HydrophobicContact CB-CD1 3.84Å; F28-L103 HydrophobicContact CD2-CD1 3.36Å; F28-L103 HydrophobicContact CE2-CD1 4.05Å; F28-L103 HydrophobicContact CG-CD1 3.65Å; L30-L103 HydrophobicContact CD1-CB 3.52Å; L30-L103 HydrophobicContact CD1-CD1 4.17Å; M99-L103 WeakPolarHBondContact O-CG 3.33Å; M99-L103 PolarHBondContact O-N 3.38Å; S100-L103 PolarHBondContact O-N 3.48Å; V101-L103 VanDerWaalsContact C-N 3.32Å; V101-L103 PolarHBondContact O-N 3.1Å; L103-V106 WeakPolarHBondContact O-CB 3.25Å; L103-V106 PolarHBondContact O-N 3Å; L103-L107 PolarHBondContact O-N 2.82Å
104R96.2Very high96Very high138 Ų13846.5 Ų46.552%0.52122%0.224SC..Hα-helixtrans-66.2-39.4169.5-67.8171.4-176.1-120.4-2111.5L30 S100 V101 V106 L107 C108L30-R104 HydrophobicContact CD1-CG 4.5Å; L30-R104 HydrophobicContact CD2-CG 4Å; S100-R104 WeakPolarHBondContact O-CG 3.43Å; S100-R104 PolarHBondContact O-N 3.41Å; V101-R104 WeakPolarHBondContact O-CB 3.4Å; V101-R104 PolarHBondContact O-N 3.06Å; V101-R104 VanDerWaalsContact O-N 3.09Å; R104-V106 VanDerWaalsContact C-N 3.29Å; R104-V106 PolarHBondContact O-N 2.95Å; R104-L107 WeakPolarHBondContact O-CB 3.49Å; R104-L107 PolarHBondContact O-N 3.36Å; R104-C108 PolarHBondContact O-N 3.09Å; R104-C108 VanDerWaalsContact O-N 3.08Å
105S97.2Very high96Very high40 Ų4042.3 Ų42.328%0.2821%0.205SC..Hα-helixtrans-60.1-39.4171.4-57.90000111.7V101 M102 C108 A109V101-S105 PolarHBondContact O-N 3.22Å; V101-S105 PolarHBondContact O-OG 3.02Å; M102-S105 WeakPolarHBondContact O-CB 3.23Å; M102-S105 PolarHBondContact O-N 3.21Å; S105-C108 PolarHBondContact O-N 2.76Å; S105-A109 VanDerWaalsContact O-CB 3.25Å; S105-A109 WeakPolarHBondContact O-CB 3.36Å; S105-A109 PolarHBondContact O-N 2.77Å
106V97.7Very high96.1Very high0 Ų044.8 Ų44.80%021%0.214CC..Hα-helixtrans-61.5-45.2172.8176.30000111.9M1 I4 V5 W76 M102 L103 R104 C108 A109 S110 L153 L165M1-V106 HydrophobicContact CG-CG1 4.32Å; M1-V106 HydrophobicContact CG-CG2 4.44Å; I4-V106 HydrophobicContact CB-CG1 4.26Å; I4-V106 HydrophobicContact CG2-CG1 3.84Å; V5-V106 HydrophobicContact CG2-CG1 3.85Å; W76-V106 HydrophobicContact CZ3-CG1 4.03Å; M102-V106 WeakPolarHBondContact O-CG2 3.48Å; M102-V106 PolarHBondContact O-N 3.47Å; L103-V106 WeakPolarHBondContact O-CB 3.25Å; L103-V106 PolarHBondContact O-N 3Å; R104-V106 VanDerWaalsContact C-N 3.29Å; R104-V106 PolarHBondContact O-N 2.95Å; V106-C108 VanDerWaalsContact C-N 3.28Å; V106-C108 PolarHBondContact O-N 2.82Å; V106-A109 PolarHBondContact O-N 2.77Å; V106-S110 VanDerWaalsContact O-CB 3.25Å; V106-S110 WeakPolarHBondContact O-CB 3.25Å; V106-S110 PolarHBondContact O-N 3.35Å; V106-S110 PolarHBondContact O-OG 2.94Å; V106-L153 HydrophobicContact CG2-CD1 4.25Å; V106-L165 HydrophobicContact CG2-CD2 3.32Å
107L95.8Very high96Very high54 Ų5447.1 Ų47.128%0.28322%0.222SC..Hα-helixtrans-57.5-41.1177.4-81.3162.3000112.3I4 L103 R104 S110I4-L107 HydrophobicContact CD1-CG 4.22Å; I4-L107 HydrophobicContact CG1-CD2 4.37Å; I4-L107 HydrophobicContact CG2-CB 4.44Å; I4-L107 HydrophobicContact CG2-CD2 3.48Å; I4-L107 VanDerWaalsContact CG2-CD2 3.48Å; I4-L107 HydrophobicContact CG2-CG 3.74Å; L103-L107 PolarHBondContact O-N 2.82Å; R104-L107 WeakPolarHBondContact O-CB 3.49Å; R104-L107 PolarHBondContact O-N 3.36Å; L107-S110 PolarHBondContact O-OG 2.88Å
108C95.7Very high95.8Very high66 Ų6645.5 Ų45.545%0.44622%0.215SC..Hα-helixtrans-71.8-52.2176.5-70.10000111.2R104 S105 V106 S110 R111 S112R104-C108 PolarHBondContact O-N 3.09Å; R104-C108 VanDerWaalsContact O-N 3.08Å; S105-C108 PolarHBondContact O-N 2.76Å; V106-C108 VanDerWaalsContact C-N 3.28Å; V106-C108 PolarHBondContact O-N 2.82Å; C108-S110 VanDerWaalsContact C-N 3.29Å; C108-S110 PolarHBondContact O-N 2.95Å; C108-R111 PolarHBondContact O-N 3.21Å; C108-R111 VanDerWaalsContact O-N 3.09Å; C108-S112 PolarHBondContact O-N 2.74Å; C108-S112 PolarHBondContact O-OG 3.4Å
109A96.9Very high95.7Very high5 Ų543.1 Ų43.14%0.04121%0.206CC..Hα-helixtrans-60-39-176.800000112.2W76 S105 V106 R111 S112 T113 L153 L167W76-A109 HydrophobicContact CH2-CB 4.1Å; W76-A109 HydrophobicContact CZ3-CB 4.45Å; S105-A109 VanDerWaalsContact O-CB 3.25Å; S105-A109 WeakPolarHBondContact O-CB 3.36Å; S105-A109 PolarHBondContact O-N 2.77Å; V106-A109 PolarHBondContact O-N 2.77Å; A109-R111 PolarHBondContact O-N 2.86Å; A109-R111 VanDerWaalsContact O-N 3.11Å; A109-S112 PolarHBondContact O-N 2.91Å; A109-T113 WeakPolarHBondContact O-CG2 3.42Å; A109-L153 HydrophobicContact CB-CD1 4.12Å; A109-L153 HydrophobicContact CB-CD2 3.52Å; A109-L153 HydrophobicContact CB-CG 4.5Å; A109-L167 HydrophobicContact CB-CD2 4.32Å
110S96.8Very high95.5Very high1 Ų141.3 Ų41.31%0.00720%0.198CC..Hα-helixtrans-62.2-22.9-179.272.10000112.7R9 V106 L107 C108 Y116R9-S110 PolarHBondContact NH1-O 3Å; R9-S110 PolarHBondContact NH2-O 3.35Å; V106-S110 VanDerWaalsContact O-CB 3.25Å; V106-S110 WeakPolarHBondContact O-CB 3.25Å; V106-S110 PolarHBondContact O-N 3.35Å; V106-S110 PolarHBondContact O-OG 2.94Å; L107-S110 PolarHBondContact O-OG 2.88Å; C108-S110 VanDerWaalsContact C-N 3.29Å; C108-S110 PolarHBondContact O-N 2.95Å; S110-Y116 WeakPolarHBondContact O-CB 3.26Å
111R95.1Very high95.3Very high104 Ų10444 Ų4439%0.39223%0.226SC..Hα-helixtrans-95.4-13177-63177.5178.8174.2-1.4113.7C108 A109 Y116C108-R111 PolarHBondContact O-N 3.21Å; C108-R111 VanDerWaalsContact O-N 3.09Å; A109-R111 PolarHBondContact O-N 2.86Å; A109-R111 VanDerWaalsContact O-N 3.11Å; R111-Y116 HydrophobicContact CB-CD1 3.99Å; R111-Y116 HydrophobicContact CB-CE1 3.93Å; R111-Y116 HydrophobicContact CB-CG 4.35Å; R111-Y116 HydrophobicContact CG-CD1 4.45Å; R111-Y116 HydrophobicContact CG-CD2 4.36Å; R111-Y116 HydrophobicContact CG-CE1 4.15Å; R111-Y116 HydrophobicContact CG-CE2 4.06Å; R111-Y116 WeakPolarHBondContact O-CD1 3.47Å
112S93.7Very high95.1Very high24 Ų2448.5 Ų48.517%0.16824%0.236CC..Hα-helixtrans-87.8-13.9-179.1-58.40000113.3C108 A109C108-S112 PolarHBondContact O-N 2.74Å; C108-S112 PolarHBondContact O-OG 3.4Å; A109-S112 PolarHBondContact O-N 2.91Å
113T95.4Very high94.9Very high2 Ų248.5 Ų48.51%0.01224%0.235CC..SBendtrans-73.8155-176.667.90000112.7R9 E74 A109 V115 Y116 R117 L167R9-T113 PolarHBondContact NH2-OG1 2.71Å; R9-T113 VanDerWaalsContact NH2-OG1 3.11Å; E74-T113 WeakPolarHBondContact OE1-CB 3.32Å; E74-T113 VanDerWaalsContact OE1-CG2 3.26Å; E74-T113 WeakPolarHBondContact OE1-CG2 3.46Å; E74-T113 PolarHBondContact OE1-OG1 2.88Å; A109-T113 WeakPolarHBondContact O-CG2 3.42Å; T113-V115 PolarHBondContact O-N 2.95Å; T113-Y116 PolarHBondContact O-N 2.61Å; T113-Y116 PolarHBondContact OG1-N 3.14Å; T113-R117 PolarHBondContact O-N 3.24Å; T113-L167 HydrophobicContact CG2-CD2 3.77Å
114P94.8Very high94.5Very high13 Ų1348.7 Ų48.78%0.08424%0.24CC..Hα-helixtrans-57.8-34.8172-24.134.6000113Y116 R117 Q118 F169 M173P114-Y116 PolarHBondContact O-N 3.21Å; P114-R117 PolarHBondContact O-N 3.46Å; P114-Q118 WeakPolarHBondContact O-CB 3.43Å; P114-Q118 PolarHBondContact O-N 2.78Å; P114-F169 HydrophobicContact CG-CD2 4.1Å; P114-F169 HydrophobicContact CG-CE2 4.15Å; P114-M173 HydrophobicContact CB-CE 3.68Å; P114-M173 HydrophobicContact CG-CE 4.43Å
115V95.6Very high94Very high0 Ų046.8 Ų46.80%025%0.248CC..Hα-helixtrans-59.3-47.6179.5-175.20000111.8I61 L73 E74 T113 Y119 A120 L130 M173I61-V115 HydrophobicContact CG2-CG1 4.25Å; L73-V115 HydrophobicContact CB-CG2 3.51Å; L73-V115 HydrophobicContact CD1-CB 4.45Å; L73-V115 HydrophobicContact CD1-CG1 3.86Å; L73-V115 HydrophobicContact CD1-CG2 3.8Å; L73-V115 HydrophobicContact CG-CG2 4.27Å; E74-V115 HydrophobicContact CG-CB 4.36Å; E74-V115 HydrophobicContact CG-CG2 3.59Å; E74-V115 VanDerWaalsContact OE1-CB 3.29Å; E74-V115 WeakPolarHBondContact OE1-CB 3.4Å; E74-V115 VanDerWaalsContact OE1-CG2 3.3Å; E74-V115 WeakPolarHBondContact OE1-CG2 3.44Å; T113-V115 PolarHBondContact O-N 2.95Å; V115-Y119 WeakPolarHBondContact O-CA 3.44Å; V115-Y119 WeakPolarHBondContact O-CB 3.18Å; V115-Y119 PolarHBondContact O-N 3.49Å; V115-A120 PolarHBondContact O-N 3.46Å; V115-L130 HydrophobicContact CG1-CD1 4.03Å; V115-L130 HydrophobicContact CG1-CD2 4.26Å; V115-M173 HydrophobicContact CG2-CE 4.04Å
116Y96Very high93.7Very high60 Ų6050.7 Ų50.724%0.23527%0.265CS..Hα-helixtrans-61.1-50.2176.4178-99000111.8S8 S110 R111 T113 P114 Q118 A120S8-Y116 WeakPolarHBondContact O-CD2 2.99Å; S8-Y116 WeakPolarHBondContact O-CE2 3.15Å; S110-Y116 WeakPolarHBondContact O-CB 3.26Å; R111-Y116 HydrophobicContact CB-CD1 3.99Å; R111-Y116 HydrophobicContact CB-CE1 3.93Å; R111-Y116 HydrophobicContact CB-CG 4.35Å; R111-Y116 HydrophobicContact CG-CD1 4.45Å; R111-Y116 HydrophobicContact CG-CD2 4.36Å; R111-Y116 HydrophobicContact CG-CE1 4.15Å; R111-Y116 HydrophobicContact CG-CE2 4.06Å; R111-Y116 WeakPolarHBondContact O-CD1 3.47Å; T113-Y116 PolarHBondContact O-N 2.61Å; T113-Y116 PolarHBondContact OG1-N 3.14Å; P114-Y116 PolarHBondContact O-N 3.21Å; Y116-Q118 PolarHBondContact O-N 2.97Å; Y116-A120 HydrophobicContact CD2-CB 4.46Å
117R93Very high93.4Very high115 Ų11553 Ų5343%0.43428%0.281SS..Hα-helixtrans-68.3-35.8-172.9-68.4-171.7-70.7153.9-2113.3T113 P114T113-R117 PolarHBondContact O-N 3.24Å; P114-R117 PolarHBondContact O-N 3.46Å
118Q91.2Very high93.3Very high85 Ų8552.1 Ų52.140%0.39728%0.275SS..Hα-helixtrans-108.7-28.8-169.2-63.1175.1-5.600113.7P114 Y116 R122P114-Q118 WeakPolarHBondContact O-CB 3.43Å; P114-Q118 PolarHBondContact O-N 2.78Å; Y116-Q118 PolarHBondContact O-N 2.97Å; Q118-R122 VanDerWaalsContact O-CD 3.26Å; Q118-R122 WeakPolarHBondContact O-CD 3.39Å
119Y94Very high93.2Very high45 Ų4549.9 Ų49.918%0.17626%0.26CS..THydrogen-bonded Turntrans-117-39.5-167.7-62.9-87000114L63 V115 G121 R122 Q123 F128 M173L63-Y119 HydrophobicContact CD1-CD1 3.6Å; L63-Y119 HydrophobicContact CD1-CE1 3.86Å; V115-Y119 WeakPolarHBondContact O-CA 3.44Å; V115-Y119 WeakPolarHBondContact O-CB 3.18Å; V115-Y119 PolarHBondContact O-N 3.49Å; Y119-G121 VanDerWaalsContact C-N 3.34Å; Y119-G121 PolarHBondContact O-N 3.41Å; Y119-R122 PolarHBondContact O-N 3.12Å; Y119-Q123 PolarHBondContact O-N 3.37Å; Y119-F128 AromaticContact CD1-CE2 3.8Å; Y119-F128 HydrophobicContact CD1-CE2 3.8Å; Y119-F128 AromaticContact CD1-CZ 3.81Å; Y119-F128 HydrophobicContact CD1-CZ 3.81Å; Y119-F128 HydrophobicContact CG-CE2 4.45Å; Y119-M173 HydrophobicContact CE2-CB 4.29Å; Y119-M173 HydrophobicContact CE2-CE 4.15Å; Y119-M173 HydrophobicContact CE2-CG 3.76Å; Y119-M173 HydrophobicContact CE2-SD 4.22Å; Y119-M173 WeakPolarHBondContact OH-CB 3.31Å; Y119-M173 WeakPolarHBondContact OH-CG 3.39Å
120A93.4Very high93.2Very high1 Ų149.6 Ų49.61%0.00826%0.258CS..G310 helixtrans-55.3-46.6-172.600000112.9G11 V115 Y116 Q123 L130G11-A120 VanDerWaalsContact CA-C 3.41Å; G11-A120 WeakPolarHBondContact CA-O 3.41Å; V115-A120 PolarHBondContact O-N 3.46Å; Y116-A120 HydrophobicContact CD2-CB 4.46Å; A120-Q123 PolarHBondContact O-NE2 3.42Å; A120-L130 HydrophobicContact CB-CD1 4.3Å
121G92.3Very high93.2Very high62 Ų6249.7 Ų49.764%0.63926%0.258SS*.G310 helixtrans-84.4-2178.700000115.5Y119Y119-G121 VanDerWaalsContact C-N 3.34Å; Y119-G121 PolarHBondContact O-N 3.41Å
122R91.8Very high93.2Very high165 Ų16545 Ų4562%0.62324%0.24SC*.G310 helixtrans-116.61.9-173.4-59.8-168.2-173177.1-1.7113.9Q118 Y119 F128Q118-R122 VanDerWaalsContact O-CD 3.26Å; Q118-R122 WeakPolarHBondContact O-CD 3.39Å; Y119-R122 PolarHBondContact O-N 3.12Å; R122-F128 HydrophobicContact CB-CZ 4.17Å; R122-F128 WeakPolarHBondContact O-CZ 3.47Å
123Q92.3Very high93.3Very high17 Ų1745.1 Ų45.18%0.07924%0.238CC..  trans-65.2140.517661.3-174.1-8.800111.3R9 Q10 Y119 A120 F128 L130 T197R9-Q123 PolarHBondContact O-NE2 3.25Å; Q10-Q123 PolarHBondContact O-NE2 3.17Å; Y119-Q123 PolarHBondContact O-N 3.37Å; A120-Q123 PolarHBondContact O-NE2 3.42Å; Q123-F128 WeakPolarHBondContact CA-O 3.46Å; Q123-F128 HydrophobicContact CB-CD2 4.22Å; Q123-F128 HydrophobicContact CB-CE2 3.85Å; Q123-F128 HydrophobicContact CB-CZ 4.48Å; Q123-F128 WeakPolarHBondContact CB-O 3.17Å; Q123-L130 VanDerWaalsContact OE1-N 3.11Å; Q123-T197 HydrophobicContact CG-CG2 4.01Å
124A89.6Confident93.3Very high26 Ų2645 Ų4522%0.21524%0.238CC..BIsolated β-bridgetrans-151.7145.2177.300000109.6D126 S127 F128A124-D126 WeakPolarHBondContact CB-OD1 3.25Å; A124-D126 PolarHBondContact O-N 3.02Å; A124-S127 PolarHBondContact O-N 3.3Å; A124-S127 VanDerWaalsContact O-N 3.08Å; A124-S127 PolarHBondContact O-OG 3.41Å; A124-F128 CarbonylContact C-O 3.56Å; A124-F128 PolarHBondContact N-O 2.85Å; A124-F128 CarbonylContact O-C 3.51Å; A124-F128 PolarHBondContact O-N 3.36Å; A124-F128 VanDerWaalsContact O-N 3.08Å
125S85.9Confident93.2Very high97 Ų9744.7 Ų44.768%0.67824%0.236SC*.THydrogen-bonded Turntrans-63.5-17.6-173.553.70000114.5T66T66-S125 VanDerWaalsContact CG2-O 3.29Å; T66-S125 WeakPolarHBondContact CG2-O 2.98Å
126D90.9Very high93Very high122 Ų12246.6 Ų46.665%0.65225%0.247SC*.THydrogen-bonded Turntrans-90.7-13.5179.163.8-17.5000113.8T66 A124T66-D126 VanDerWaalsContact CG2-O 3.24Å; T66-D126 WeakPolarHBondContact CG2-O 3.3Å; T66-D126 PolarHBondContact OG1-O 3.31Å; A124-D126 WeakPolarHBondContact CB-OD1 3.25Å; A124-D126 PolarHBondContact O-N 3.02Å
127S91.2Very high92.5Very high48 Ų4849.5 Ų49.534%0.33627%0.267SS..THydrogen-bonded Turntrans-121.2-71.6-176.854.80000111.5T65 T66 A124T65-S127 WeakPolarHBondContact CA-O 3.26Å; T66-S127 PolarHBondContact N-O 2.92Å; T66-S127 VanDerWaalsContact N-O 3.1Å; A124-S127 PolarHBondContact O-N 3.3Å; A124-S127 VanDerWaalsContact O-N 3.08Å; A124-S127 PolarHBondContact O-OG 3.41Å
128F93.7Very high92Very high36 Ų3646.9 Ų46.916%0.15827%0.265CS..EExtended strand (participates in β ladder)trans-153153.2178.770.3-88.7000111.7L63 R64 Y119 R122 Q123 A124L63-F128 HydrophobicContact CD1-CB 4.09Å; L63-F128 HydrophobicContact CD1-CD2 3.41Å; L63-F128 VanDerWaalsContact CD1-CD2 3.41Å; L63-F128 HydrophobicContact CD1-CE2 3.94Å; L63-F128 HydrophobicContact CD1-CG 3.74Å; L63-F128 HydrophobicContact CD2-CB 3.84Å; L63-F128 HydrophobicContact CD2-CG 4.41Å; L63-F128 HydrophobicContact CG-CB 3.87Å; L63-F128 HydrophobicContact CG-CD2 3.78Å; L63-F128 HydrophobicContact CG-CG 4.05Å; R64-F128 CarbonylContact O-C 3.5Å; R64-F128 WeakPolarHBondContact O-CA 3.3Å; Y119-F128 AromaticContact CD1-CE2 3.8Å; Y119-F128 HydrophobicContact CD1-CE2 3.8Å; Y119-F128 AromaticContact CD1-CZ 3.81Å; Y119-F128 HydrophobicContact CD1-CZ 3.81Å; Y119-F128 HydrophobicContact CG-CE2 4.45Å; R122-F128 HydrophobicContact CB-CZ 4.17Å; R122-F128 WeakPolarHBondContact O-CZ 3.47Å; Q123-F128 WeakPolarHBondContact CA-O 3.46Å; Q123-F128 HydrophobicContact CB-CD2 4.22Å; Q123-F128 HydrophobicContact CB-CE2 3.85Å; Q123-F128 HydrophobicContact CB-CZ 4.48Å; Q123-F128 WeakPolarHBondContact CB-O 3.17Å; A124-F128 CarbonylContact C-O 3.56Å; A124-F128 PolarHBondContact N-O 2.85Å; A124-F128 CarbonylContact O-C 3.51Å; A124-F128 PolarHBondContact O-N 3.36Å; A124-F128 VanDerWaalsContact O-N 3.08Å
129V94.8Very high91.8Very high19 Ų1943.1 Ų43.112%0.11525%0.248CC..EExtended strand (participates in β ladder)trans-124.8145.9172.8-65.40000109.8R64R64-V129 HydrophobicContact CB-CG2 4.14Å; R64-V129 PolarHBondContact N-O 3.47Å; R64-V129 PolarHBondContact O-N 2.88Å
130L96.4Very high91.4Very high0 Ų044.3 Ų44.30%026%0.261CS..EExtended strand (participates in β ladder)trans-80.3136.1167.3-63.7-179.2000109.8R9 S62 L63 L73 V115 A120 Q123 M195R9-L130 HydrophobicContact CB-CD1 4.23Å; S62-L130 WeakPolarHBondContact O-CA 3.37Å; L63-L130 HydrophobicContact CB-CD2 4.23Å; L73-L130 HydrophobicContact CD1-CD2 3.88Å; V115-L130 HydrophobicContact CG1-CD1 4.03Å; V115-L130 HydrophobicContact CG1-CD2 4.26Å; A120-L130 HydrophobicContact CB-CD1 4.3Å; Q123-L130 VanDerWaalsContact OE1-N 3.11Å; L130-M195 HydrophobicContact CB-CE 4.35Å; L130-M195 HydrophobicContact CB-SD 3.64Å; L130-M195 WeakPolarHBondContact O-CB 3.27Å; L130-M195 WeakPolarHBondContact O-CG 3.4Å; L130-M195 PolarHBondContact O-N 3.35Å
131C95.5Very high91.1Very high3 Ų348.4 Ų48.42%0.0228%0.282CS..EExtended strand (participates in β ladder)trans-120157.8176.5-63.10000109.3S62S62-C131 PolarHBondContact N-O 3.21Å; S62-C131 PolarHBondContact O-N 3.38Å
132Y96.8Very high90.8Very high4 Ų452.7 Ų52.72%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-133.4150.1173.366.6-88.7000111.2I6 V41 L59 V60 Q192 G193 M195I6-Y132 HydrophobicContact CD1-CD1 4.19Å; I6-Y132 HydrophobicContact CD1-CD2 3.48Å; I6-Y132 VanDerWaalsContact CD1-CD2 3.48Å; I6-Y132 HydrophobicContact CD1-CE1 4.32Å; I6-Y132 HydrophobicContact CD1-CE2 3.61Å; I6-Y132 HydrophobicContact CD1-CG 3.78Å; I6-Y132 HydrophobicContact CG1-CD1 4.35Å; I6-Y132 HydrophobicContact CG1-CD2 4.29Å; I6-Y132 HydrophobicContact CG1-CG 4.1Å; I6-Y132 HydrophobicContact CG2-CD1 4.32Å; I6-Y132 HydrophobicContact CG2-CE1 4.25Å; V41-Y132 HydrophobicContact CB-CE2 4.25Å; V41-Y132 HydrophobicContact CG1-CE2 3.88Å; V41-Y132 HydrophobicContact CG2-CE2 4.5Å; L59-Y132 HydrophobicContact CD1-CD2 4.34Å; V60-Y132 CarbonylContact O-C 3.59Å; V60-Y132 VanDerWaalsContact O-CA 3.26Å; V60-Y132 WeakPolarHBondContact O-CA 3.48Å; Y132-Q192 WeakPolarHBondContact O-CA 3.34Å; Y132-G193 PolarHBondContact N-O 3.02Å; Y132-G193 VanDerWaalsContact N-O 3.14Å; Y132-G193 PolarHBondContact O-N 2.93Å; Y132-M195 HydrophobicContact CD1-CE 3.9Å; Y132-M195 HydrophobicContact CD1-CG 4.02Å; Y132-M195 HydrophobicContact CE1-CG 4.41Å; Y132-M195 HydrophobicContact CG-CE 4.41Å
133Q95.2Very high90.5Very high27 Ų2748.4 Ų48.413%0.12627%0.272CS..EExtended strand (participates in β ladder)trans-137131.6175.6-169.1-178.3-5.300109.5L59 V60 M188L59-Q133 WeakPolarHBondContact CA-O 3.46Å; V60-Q133 HydrophobicContact CB-CB 4.43Å; V60-Q133 PolarHBondContact N-O 3.38Å; V60-Q133 PolarHBondContact O-N 3.18Å; Q133-M188 PolarHBondContact NE2-O 3.33Å
134I95.6Very high90.5Very high0 Ų047.6 Ų47.60%027%0.269CS..EExtended strand (participates in β ladder)trans-101.7122.6176-56.9170.5000107.7I2 V41 M42 L46 V57 V58 L59 G190I2-I134 HydrophobicContact CD1-CD1 4.13Å; I2-I134 HydrophobicContact CD1-CG1 4.36Å; I2-I134 HydrophobicContact CD1-CG2 4.12Å; I2-I134 HydrophobicContact CG2-CD1 3.96Å; V41-I134 HydrophobicContact CG1-CD1 4.08Å; M42-I134 HydrophobicContact CB-CD1 3.98Å; M42-I134 HydrophobicContact CG-CD1 4.5Å; L46-I134 HydrophobicContact CD2-CG2 4.19Å; L46-I134 HydrophobicContact CG-CG2 4.34Å; V57-I134 HydrophobicContact CG1-CG2 4.39Å; V58-I134 WeakPolarHBondContact O-CA 3.48Å; L59-I134 HydrophobicContact CD1-CG1 4.16Å; I134-G190 WeakPolarHBondContact O-CA 3.27Å
135C92.3Very high90.4Very high7 Ų747.4 Ų47.45%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-131.1158.1-178.5-54.70000110V58 D137V58-C135 WeakPolarHBondContact CA-O 3.47Å; V58-C135 PolarHBondContact N-O 3.38Å; V58-C135 PolarHBondContact O-N 3.23Å; C135-D137 WeakPolarHBondContact CB-O 3.38Å
136T91.4Very high90.4Very high39 Ų3952.5 Ų52.524%0.23928%0.282CS..SBendtrans-90.2-32.5167.648.40000111.6L46 L54L46-T136 HydrophobicContact CD2-CG2 3.98Å; L54-T136 HydrophobicContact CD2-CG2 3.96Å
137D86.3Confident90.2Very high121 Ų12151.6 Ų51.665%0.64727%0.274SS*.SBendtrans-95.6128.4179.4-58.9-43.5000110.2C135C135-D137 WeakPolarHBondContact CB-O 3.38Å
138P81.7Confident90.3Very high60 Ų6050.8 Ų50.839%0.3927%0.27SS..PPolyproline II helixtrans-71.5135.3178.627.8-32.5000110.6V58 K77V58-P138 HydrophobicContact CG2-CB 3.94Å; K77-P138 HydrophobicContact CD-CB 4.34Å
139P86.2Confident90.3Very high6 Ų652.9 Ų52.94%0.03928%0.279CS..PPolyproline II helixtrans-64156.2169.424.1-28.8000110.9V60 I75 I141 Q143 M188V60-P139 HydrophobicContact CG2-CG 3.72Å; I75-P139 HydrophobicContact CD1-CG 3.74Å; I75-P139 HydrophobicContact CG1-CG 4.07Å; P139-I141 PolarHBondContact O-N 3.18Å; P139-Q143 VanDerWaalsContact CB-OE1 3.23Å; P139-M188 HydrophobicContact CB-CE 4.19Å; P139-M188 HydrophobicContact CB-SD 4.06Å
140P87.2Confident90.3Very high70 Ų7055.7 Ų55.746%0.45530%0.3SS..PPolyproline II helixtrans-56.8130.8173.4-19.129.2000111.1E142 Q143P140-E142 WeakPolarHBondContact CB-OE2 3.47Å; P140-E142 PolarHBondContact O-N 2.78Å; P140-E142 VanDerWaalsContact O-N 3.13Å; P140-Q143 HydrophobicContact CB-CG 4.46Å; P140-Q143 WeakPolarHBondContact O-CB 3.08Å; P140-Q143 WeakPolarHBondContact O-CG 3.32Å; P140-Q143 PolarHBondContact O-N 3.46Å
141I85.5Confident90.2Very high87 Ų8755.9 Ų55.945%0.44630%0.301SS..G310 helixtrans-60.6-27.8-176.4-54178.2000110.6P139 Q143 L144 Q168P139-I141 PolarHBondContact O-N 3.18Å; I141-Q143 PolarHBondContact O-N 2.83Å; I141-L144 WeakPolarHBondContact O-CB 3.42Å; I141-L144 PolarHBondContact O-N 3.08Å; I141-Q168 VanDerWaalsContact CG1-OE1 3.22Å
142E86.2Confident90.2Very high152 Ų15258.4 Ų58.471%0.7132%0.317SS*.G310 helixtrans-59.2-21.7178.6-55.786.8-178.700112.8P140 L144 G145P140-E142 WeakPolarHBondContact CB-OE2 3.47Å; P140-E142 PolarHBondContact O-N 2.78Å; P140-E142 VanDerWaalsContact O-N 3.13Å; E142-L144 VanDerWaalsContact C-N 3.26Å; E142-L144 PolarHBondContact O-N 3.15Å; E142-G145 PolarHBondContact O-N 3.49Å
143Q86.9Confident90.2Very high75 Ų7559.3 Ų59.335%0.3532%0.322SS..G310 helixtrans-66-27.3176.4-65.3-177.7-16.600112.8P139 P140 I141 G145 R170P139-Q143 VanDerWaalsContact CB-OE1 3.23Å; P140-Q143 HydrophobicContact CB-CG 4.46Å; P140-Q143 WeakPolarHBondContact O-CB 3.08Å; P140-Q143 WeakPolarHBondContact O-CG 3.32Å; P140-Q143 PolarHBondContact O-N 3.46Å; I141-Q143 PolarHBondContact O-N 2.83Å; Q143-G145 PolarHBondContact O-N 3.15Å; Q143-R170 PolarHBondContact O-NH1 2.85Å; Q143-R170 VanDerWaalsContact O-NH1 3.09Å
144L90.6Very high90.2Very high1 Ų159.1 Ų59.11%0.00533%0.328CS..G310 helixtrans-73.4-10.9173.1-66.9179.9000113D72 I75 I141 E142 A148 Q168 R170D72-L144 HydrophobicContact CB-CD2 4Å; I75-L144 HydrophobicContact CB-CD1 4.38Å; I75-L144 HydrophobicContact CD1-CD1 3.64Å; I75-L144 HydrophobicContact CD1-CD2 4.28Å; I75-L144 HydrophobicContact CD1-CG 3.75Å; I75-L144 HydrophobicContact CG1-CD1 3.93Å; I75-L144 HydrophobicContact CG1-CD2 4.19Å; I75-L144 HydrophobicContact CG1-CG 4.16Å; I141-L144 WeakPolarHBondContact O-CB 3.42Å; I141-L144 PolarHBondContact O-N 3.08Å; E142-L144 VanDerWaalsContact C-N 3.26Å; E142-L144 PolarHBondContact O-N 3.15Å; L144-A148 HydrophobicContact CB-CB 3.66Å; L144-A148 HydrophobicContact CD1-CB 4.32Å; L144-Q168 HydrophobicContact CD1-CB 3.65Å; L144-R170 VanDerWaalsContact O-CG 3.26Å; L144-R170 WeakPolarHBondContact O-CG 3.26Å; L144-R170 PolarHBondContact O-NE 3.46Å; L144-R170 PolarHBondContact O-NH1 2.86Å
145G88.2Confident90.1Very high21 Ų2161 Ų6122%0.21634%0.34CS..  trans90.9165.6-176.500000113.7E142 Q143 E147 A148E142-G145 PolarHBondContact O-N 3.49Å; Q143-G145 PolarHBondContact O-N 3.15Å; G145-E147 PolarHBondContact O-N 3.37Å; G145-A148 WeakPolarHBondContact O-CB 3.47Å; G145-A148 PolarHBondContact O-N 2.85Å
146E85.5Confident90.3Very high205 Ų20561.4 Ų61.496%0.95834%0.342SS*.THydrogen-bonded Turntrans-63.1-26.4-171.4-64171.4-172.500114.1
147E87.3Confident90.5Very high102 Ų10261 Ų6148%0.47734%0.341SS..THydrogen-bonded Turntrans-96.616.1-177.9-60.8176.6-153.900112.7G145 K149 T171 K172G145-E147 PolarHBondContact O-N 3.37Å; E147-K149 PolarHBondContact O-N 2.99Å; E147-T171 VanDerWaalsContact CB-OG1 3.3Å; E147-T171 WeakPolarHBondContact CB-OG1 3.47Å; E147-T171 PolarHBondContact O-OG1 3.32Å; E147-K172 WeakPolarHBondContact OE1-CD 3.35Å; E147-K172 IonicContact OE1-NZ 3.3Å; E147-K172 PolarHBondContact OE1-NZ 3.19Å
148A92.7Very high90.8Very high31 Ų3155.4 Ų55.426%0.25631%0.311SS..  trans-60.1129.8178.500000111L144 G145 F169L144-A148 HydrophobicContact CB-CB 3.66Å; L144-A148 HydrophobicContact CD1-CB 4.32Å; G145-A148 WeakPolarHBondContact O-CB 3.47Å; G145-A148 PolarHBondContact O-N 2.85Å; A148-F169 CarbonylContact C-O 3.51Å; A148-F169 WeakPolarHBondContact CA-O 3.31Å
149K95Very high91.4Very high80 Ų8054.2 Ų54.235%0.34830%0.303SS..EExtended strand (participates in β ladder)trans-93.9140.2174.9-75.1-176.8177.9-177.60109.4E147 Q168 F169 T171 E229E147-K149 PolarHBondContact O-N 2.99Å; K149-Q168 CarbonylContact O-C 3.59Å; K149-Q168 VanDerWaalsContact O-CA 3.29Å; K149-Q168 WeakPolarHBondContact O-CA 3.44Å; K149-F169 HydrophobicContact CB-CD1 4.44Å; K149-F169 HydrophobicContact CB-CE1 3.89Å; K149-F169 HydrophobicContact CB-CE2 3.96Å; K149-F169 HydrophobicContact CB-CZ 3.62Å; K149-F169 HydrophobicContact CD-CE2 4.27Å; K149-F169 HydrophobicContact CD-CZ 4.1Å; K149-F169 HydrophobicContact CG-CZ 4.43Å; K149-F169 PolarHBondContact N-O 3.23Å; K149-F169 PolarHBondContact O-N 2.84Å; K149-T171 HydrophobicContact CB-CG2 4.21Å; K149-T171 HydrophobicContact CD-CG2 3.61Å; K149-T171 HydrophobicContact CG-CG2 3.62Å; K149-E229 IonicContact NZ-OE1 2.91Å; K149-E229 IonicContact NZ-OE2 3.66Å; K149-E229 PolarHBondContact NZ-OE2 3.24Å
150S94.6Very high91.6Very high78 Ų7859.6 Ų59.655%0.54533%0.326SS..EExtended strand (participates in β ladder)trans-109.4134.7174.4-173.60000110L167S150-L167 CarbonylContact C-O 3.52Å
151C94Very high91.9Very high5 Ų556.3 Ų56.33%0.03431%0.305CS..EExtended strand (participates in β ladder)trans-133.2103.2-177.1-176.80000109L153 L167 F169C151-L153 PolarHBondContact O-N 3.37Å; C151-L167 HydrophobicContact CB-CB 4.34Å; C151-L167 PolarHBondContact N-O 3.2Å; C151-L167 PolarHBondContact O-N 3.45Å; C151-F169 HydrophobicContact CB-CE1 4.5Å
152P95.5Very high92.4Very high55 Ų5552.2 Ų52.236%0.35728%0.284SS..EExtended strand (participates in β ladder)trans-71124.3170.829.2-31.8000109.3
153L96.4Very high92.8Very high23 Ų2346 Ų4612%0.1226%0.255CS..EExtended strand (participates in β ladder)trans-97.1-22.7-176.4-63.6178.3000113.1W76 V106 A109 C151 L165 L167W76-L153 HydrophobicContact CE3-CD1 4.05Å; W76-L153 HydrophobicContact CH2-CD1 4.43Å; W76-L153 HydrophobicContact CZ3-CD1 3.48Å; W76-L153 VanDerWaalsContact CZ3-CD1 3.48Å; V106-L153 HydrophobicContact CG2-CD1 4.25Å; A109-L153 HydrophobicContact CB-CD1 4.12Å; A109-L153 HydrophobicContact CB-CD2 3.52Å; A109-L153 HydrophobicContact CB-CG 4.5Å; C151-L153 PolarHBondContact O-N 3.37Å; L153-L165 HydrophobicContact CB-CB 4.47Å; L153-L165 HydrophobicContact CB-CD2 3.92Å; L153-L165 HydrophobicContact CB-CG 4Å; L153-L165 HydrophobicContact CD1-CD2 4.03Å; L153-L165 HydrophobicContact CD1-CG 4.14Å; L153-L165 PolarHBondContact N-O 3.04Å; L153-L167 HydrophobicContact CD1-CB 3.99Å; L153-L167 HydrophobicContact CG-CB 4.28Å
154G94.5Very high93.3Very high23 Ų2344.8 Ų44.824%0.23725%0.248CC..EExtended strand (participates in β ladder)trans174.4159178.200000113.7L165G154-L165 PolarHBondContact N-O 3.02Å; G154-L165 PolarHBondContact O-N 2.9Å
155C95.4Very high93.6Very high39 Ų3944.8 Ų44.826%0.26425%0.248SC..EExtended strand (participates in β ladder)trans-140.9120.1175.7-162.60000108T162 L163 F239C155-T162 WeakPolarHBondContact SG-CG2 3.49Å; C155-L163 CarbonylContact C-O 3.42Å; C155-L163 VanDerWaalsContact CA-O 3.25Å; C155-L163 WeakPolarHBondContact CA-O 3.4Å; C155-F239 HydrophobicContact CB-CE1 4.44Å
156L95.9Very high94Very high16 Ų1644.9 Ų44.98%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-122.1113-175.5-50.9-176.5000109.9L95 R98 M99 M102 T162 L163L95-L156 HydrophobicContact CD1-CB 4.12Å; L95-L156 HydrophobicContact CD1-CD1 4.46Å; R98-L156 HydrophobicContact CB-CD1 4.1Å; R98-L156 HydrophobicContact CB-CD2 3.75Å; R98-L156 HydrophobicContact CB-CG 4.48Å; M99-L156 HydrophobicContact CB-CD1 4.35Å; M99-L156 HydrophobicContact CG-CD1 3.68Å; M102-L156 HydrophobicContact CB-CD1 4.28Å; M102-L156 HydrophobicContact CE-CD1 3.72Å; M102-L156 HydrophobicContact CE-CG 4.43Å; M102-L156 HydrophobicContact SD-CD1 3.91Å; M102-L156 HydrophobicContact SD-CG 4.04Å; L156-T162 WeakPolarHBondContact O-CA 3.27Å; L156-L163 HydrophobicContact CB-CB 4.28Å; L156-L163 PolarHBondContact N-O 2.92Å; L156-L163 PolarHBondContact O-N 2.93Å
157S94.3Very high94.6Very high31 Ų3135.3 Ų35.322%0.21720%0.199CC..EExtended strand (participates in β ladder)trans-66.8140.8169.5-45.40000110.3
158S93.8Very high95Very high3 Ų331.9 Ų31.92%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-145.7166176.280.70000111.4D86 F160 G161D86-S158 PolarHBondContact N-O 3.42Å; D86-S158 CarbonylContact O-C 3.27Å; D86-S158 VanDerWaalsContact O-C 3.27Å; S158-F160 PolarHBondContact O-N 3.33Å; S158-F160 PolarHBondContact OG-N 3.33Å; S158-G161 WeakPolarHBondContact CA-O 3.41Å; S158-G161 WeakPolarHBondContact CB-O 3.27Å; S158-G161 PolarHBondContact N-O 2.85Å; S158-G161 PolarHBondContact O-N 3.15Å; S158-G161 PolarHBondContact OG-N 3.47Å; S158-G161 PolarHBondContact OG-O 2.84Å
159P93.3Very high95.2Very high36 Ų3631.1 Ų31.123%0.23418%0.175CC..THydrogen-bonded Turntrans-64.4-6.2173.2-24.136.7000114.6I85 D86 V89 V91I85-P159 VanDerWaalsContact CG2-O 3.27Å; I85-P159 WeakPolarHBondContact CG2-O 3.35Å; D86-P159 WeakPolarHBondContact O-CA 3.35Å; V89-P159 VanDerWaalsContact O-CG 3.31Å; V89-P159 WeakPolarHBondContact O-CG 3.27Å; V91-P159 HydrophobicContact CG2-CG 3.85Å
160F91.1Very high95.2Very high119 Ų11928.7 Ų28.752%0.52216%0.163SC..THydrogen-bonded Turntrans-112.62.3-179.3-47.1-66.2000113V91 S158V91-F160 HydrophobicContact CG2-CE2 4.04Å; S158-F160 PolarHBondContact O-N 3.33Å; S158-F160 PolarHBondContact OG-N 3.33Å
161G93.7Very high95.1Very high0 Ų027.1 Ų27.10%015%0.15CC..EExtended strand (participates in β ladder)trans127.1-174.1-173.200000112.6D81 V84 S158D81-G161 CarbonylContact O-C 3.59Å; D81-G161 WeakPolarHBondContact O-CA 3.46Å; V84-G161 CarbonylContact O-C 3.23Å; V84-G161 VanDerWaalsContact O-C 3.23Å; V84-G161 VanDerWaalsContact O-CA 3.27Å; V84-G161 WeakPolarHBondContact O-CA 3.37Å; S158-G161 WeakPolarHBondContact CA-O 3.41Å; S158-G161 WeakPolarHBondContact CB-O 3.27Å; S158-G161 PolarHBondContact N-O 2.85Å; S158-G161 PolarHBondContact O-N 3.15Å; S158-G161 PolarHBondContact OG-N 3.47Å; S158-G161 PolarHBondContact OG-O 2.84Å
162T95.3Very high94.9Very high2 Ų232.1 Ų32.11%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-105.1114.3-179-64.50000110.8D81 V84 C155 L156D81-T162 PolarHBondContact N-O 2.77Å; D81-T162 PolarHBondContact O-N 2.87Å; V84-T162 WeakPolarHBondContact CG1-OG1 3.09Å; V84-T162 PolarHBondContact O-N 3.42Å; V84-T162 PolarHBondContact O-OG1 3.18Å; C155-T162 WeakPolarHBondContact SG-CG2 3.49Å; L156-T162 WeakPolarHBondContact O-CA 3.27Å
163L95.8Very high94.5Very high20 Ų2031.2 Ų31.211%0.10516%0.163CC..EExtended strand (participates in β ladder)trans-77.2123.9174.2-70.3170.2000109.7M51 S79 L80 M99 C155 L156M51-L163 HydrophobicContact SD-CD2 3.42Å; M51-L163 WeakPolarHBondContact SD-CD2 3.4Å; S79-L163 CarbonylContact O-C 3.4Å; S79-L163 WeakPolarHBondContact O-CA 3.32Å; L80-L163 HydrophobicContact CB-CD2 4.11Å; L80-L163 HydrophobicContact CD1-CD2 3.74Å; L80-L163 HydrophobicContact CD1-CG 4Å; L80-L163 HydrophobicContact CG-CD2 4.47Å; M99-L163 HydrophobicContact SD-CD1 4.48Å; C155-L163 CarbonylContact C-O 3.42Å; C155-L163 VanDerWaalsContact CA-O 3.25Å; C155-L163 WeakPolarHBondContact CA-O 3.4Å; L156-L163 HydrophobicContact CB-CB 4.28Å; L156-L163 PolarHBondContact N-O 2.92Å; L156-L163 PolarHBondContact O-N 2.93Å
164R95.9Very high93.8Very high50 Ų5033.4 Ų33.419%0.18918%0.177CC..EExtended strand (participates in β ladder)trans-121130.3178.1-177.8-178.9-66.1-102.45.2110.1L78 S79 T166 C243L78-R164 CarbonylContact C-O 3.58Å; L78-R164 WeakPolarHBondContact CA-O 3.4Å; S79-R164 PolarHBondContact N-O 2.94Å; S79-R164 PolarHBondContact O-N 3.36Å; R164-T166 HydrophobicContact CG-CG2 4.13Å; R164-C243 VanDerWaalsContact NH2-CB 3.26Å; R164-C243 PolarHBondContact NH2-O 2.91Å; R164-C243 PolarHBondContact NH2-SG 3.48Å
165L97.7Very high93Very high2 Ų234.4 Ų34.41%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-119122.8177.2178.665.5000110.4M1 K77 L78 M102 V106 L153 G154M1-L165 HydrophobicContact CG-CD1 4.42Å; M1-L165 HydrophobicContact SD-CD1 3.33Å; M1-L165 WeakPolarHBondContact SD-CD1 3.42Å; K77-L165 WeakPolarHBondContact O-CA 3.26Å; K77-L165 WeakPolarHBondContact O-CD1 3.34Å; L78-L165 HydrophobicContact CB-CD1 4.3Å; L78-L165 HydrophobicContact CD1-CB 4.23Å; L78-L165 HydrophobicContact CD1-CD1 4.38Å; M102-L165 HydrophobicContact CG-CB 4.45Å; M102-L165 HydrophobicContact CG-CD2 3.75Å; M102-L165 HydrophobicContact SD-CB 3.81Å; M102-L165 HydrophobicContact SD-CD2 4.07Å; V106-L165 HydrophobicContact CG2-CD2 3.32Å; L153-L165 HydrophobicContact CB-CB 4.47Å; L153-L165 HydrophobicContact CB-CD2 3.92Å; L153-L165 HydrophobicContact CB-CG 4Å; L153-L165 HydrophobicContact CD1-CD2 4.03Å; L153-L165 HydrophobicContact CD1-CG 4.14Å; L153-L165 PolarHBondContact N-O 3.04Å; G154-L165 PolarHBondContact N-O 3.02Å; G154-L165 PolarHBondContact O-N 2.9Å
166T97.1Very high91.6Very high23 Ų2338.6 Ų38.614%0.14120%0.196CC..EExtended strand (participates in β ladder)trans-130.2141.4179.758.40000111.1K77 R164K77-T166 PolarHBondContact N-O 2.83Å; K77-T166 PolarHBondContact O-N 2.86Å; R164-T166 HydrophobicContact CG-CG2 4.13Å
167L97.6Very high89.7Confident3 Ų344 Ų442%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-112129.3170.1162.861.7000108.5E74 W76 A109 T113 S150 C151 L153 F169E74-L167 HydrophobicContact CB-CD1 4.3Å; W76-L167 HydrophobicContact CD2-CB 4.49Å; W76-L167 HydrophobicContact CD2-CD1 3.75Å; W76-L167 VanDerWaalsContact CE2-CD1 3.43Å; W76-L167 HydrophobicContact CE3-CB 4.18Å; W76-L167 HydrophobicContact CE3-CD1 4.24Å; W76-L167 HydrophobicContact CG-CD1 4.2Å; W76-L167 HydrophobicContact CH2-CD1 4.14Å; W76-L167 HydrophobicContact CH2-CD2 3.68Å; W76-L167 HydrophobicContact CH2-CG 4.32Å; W76-L167 HydrophobicContact CZ2-CD1 3.63Å; W76-L167 HydrophobicContact CZ2-CD2 3.85Å; W76-L167 HydrophobicContact CZ2-CG 4.27Å; W76-L167 HydrophobicContact CZ3-CB 4.22Å; W76-L167 HydrophobicContact CZ3-CD1 4.42Å; W76-L167 HydrophobicContact CZ3-CD2 4.17Å; W76-L167 HydrophobicContact CZ3-CG 4.5Å; A109-L167 HydrophobicContact CB-CD2 4.32Å; T113-L167 HydrophobicContact CG2-CD2 3.77Å; S150-L167 CarbonylContact C-O 3.52Å; C151-L167 HydrophobicContact CB-CB 4.34Å; C151-L167 PolarHBondContact N-O 3.2Å; C151-L167 PolarHBondContact O-N 3.45Å; L153-L167 HydrophobicContact CD1-CB 3.99Å; L153-L167 HydrophobicContact CG-CB 4.28Å; L167-F169 HydrophobicContact CD1-CB 4.45Å; L167-F169 HydrophobicContact CD1-CD1 4.44Å; L167-F169 HydrophobicContact CD2-CD1 4.18Å; L167-F169 HydrophobicContact CG-CD1 4Å
168Q96.5Very high87.5Confident30 Ų3045.8 Ų45.814%0.1425%0.248CC..EExtended strand (participates in β ladder)trans-119.9138.1167-63.3171.14.400108.9E74 I75 I141 L144 K149E74-Q168 CarbonylContact C-O 3.59Å; E74-Q168 VanDerWaalsContact CA-O 3.28Å; E74-Q168 WeakPolarHBondContact CA-O 3.31Å; I75-Q168 HydrophobicContact CB-CB 4.46Å; I75-Q168 PolarHBondContact N-O 3.14Å; I75-Q168 PolarHBondContact O-N 3.01Å; I141-Q168 VanDerWaalsContact CG1-OE1 3.22Å; L144-Q168 HydrophobicContact CD1-CB 3.65Å; K149-Q168 CarbonylContact O-C 3.59Å; K149-Q168 VanDerWaalsContact O-CA 3.29Å; K149-Q168 WeakPolarHBondContact O-CA 3.44Å
169F96.4Very high85.2Confident16 Ų1654.1 Ų54.17%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-145.6146.1-177.363.7-86.5000112.8L73 E74 P114 A148 K149 C151 L167 T171L73-F169 CarbonylContact O-C 3.6Å; L73-F169 VanDerWaalsContact O-CA 3.3Å; L73-F169 WeakPolarHBondContact O-CA 3.43Å; E74-F169 HydrophobicContact CG-CB 3.96Å; P114-F169 HydrophobicContact CG-CD2 4.1Å; P114-F169 HydrophobicContact CG-CE2 4.15Å; A148-F169 CarbonylContact C-O 3.51Å; A148-F169 WeakPolarHBondContact CA-O 3.31Å; K149-F169 HydrophobicContact CB-CD1 4.44Å; K149-F169 HydrophobicContact CB-CE1 3.89Å; K149-F169 HydrophobicContact CB-CE2 3.96Å; K149-F169 HydrophobicContact CB-CZ 3.62Å; K149-F169 HydrophobicContact CD-CE2 4.27Å; K149-F169 HydrophobicContact CD-CZ 4.1Å; K149-F169 HydrophobicContact CG-CZ 4.43Å; K149-F169 PolarHBondContact N-O 3.23Å; K149-F169 PolarHBondContact O-N 2.84Å; C151-F169 HydrophobicContact CB-CE1 4.5Å; L167-F169 HydrophobicContact CD1-CB 4.45Å; L167-F169 HydrophobicContact CD1-CD1 4.44Å; L167-F169 HydrophobicContact CD2-CD1 4.18Å; L167-F169 HydrophobicContact CG-CD1 4Å; F169-T171 HydrophobicContact CD2-CG2 4.34Å; F169-T171 HydrophobicContact CE2-CG2 3.99Å
170R95Very high82.5Confident29 Ų2958.5 Ų58.511%0.10931%0.311CS..  trans-70.3133173.2-176.1174.6-134.4120.26.5110.1L71 D72 L73 Q143 L144 K172 M173L71-R170 VanDerWaalsContact CD1-CZ 3.41Å; D72-R170 PolarHBondContact O-NH1 3.48Å; L73-R170 PolarHBondContact O-N 2.93Å; Q143-R170 PolarHBondContact O-NH1 2.85Å; Q143-R170 VanDerWaalsContact O-NH1 3.09Å; L144-R170 VanDerWaalsContact O-CG 3.26Å; L144-R170 WeakPolarHBondContact O-CG 3.26Å; L144-R170 PolarHBondContact O-NE 3.46Å; L144-R170 PolarHBondContact O-NH1 2.86Å; R170-K172 WeakPolarHBondContact CD-O 3.41Å; R170-K172 WeakPolarHBondContact CG-O 3.39Å; R170-K172 PolarHBondContact NE-O 2.94Å; R170-M173 HydrophobicContact CB-CE 4.42Å; R170-M173 HydrophobicContact CB-SD 4.19Å; R170-M173 HydrophobicContact CG-SD 3.91Å; R170-M173 WeakPolarHBondContact O-CE 3.27Å
171T91.9Very high80.3Confident44 Ų4460.4 Ų60.427%0.2732%0.321SS..SBendtrans-97.9-36.6173.153.60000111.5E147 K149 F169E147-T171 VanDerWaalsContact CB-OG1 3.3Å; E147-T171 WeakPolarHBondContact CB-OG1 3.47Å; E147-T171 PolarHBondContact O-OG1 3.32Å; K149-T171 HydrophobicContact CB-CG2 4.21Å; K149-T171 HydrophobicContact CD-CG2 3.61Å; K149-T171 HydrophobicContact CG-CG2 3.62Å; F169-T171 HydrophobicContact CD2-CG2 4.34Å; F169-T171 HydrophobicContact CE2-CG2 3.99Å
172K89.5Confident77.7Confident111 Ų11167.5 Ų67.548%0.48336%0.359SS..  trans-95.1104.4178.5-172.5174-170.6168.50112.1E147 R170 V174E147-K172 WeakPolarHBondContact OE1-CD 3.35Å; E147-K172 IonicContact OE1-NZ 3.3Å; E147-K172 PolarHBondContact OE1-NZ 3.19Å; R170-K172 WeakPolarHBondContact CD-O 3.41Å; R170-K172 WeakPolarHBondContact CG-O 3.39Å; R170-K172 PolarHBondContact NE-O 2.94Å; K172-V174 HydrophobicContact CG-CG2 4.03Å; K172-V174 PolarHBondContact O-N 2.78Å; K172-V174 VanDerWaalsContact O-N 3.15Å
173M87Confident75.1Confident36 Ų3669.9 Ų69.918%0.17738%0.379CS..  trans-91.563.6-174.2-56-61.9-169.300112.4L73 P114 V115 Y119 R170L73-M173 HydrophobicContact CD2-CE 4.41Å; L73-M173 HydrophobicContact CD2-SD 3.68Å; P114-M173 HydrophobicContact CB-CE 3.68Å; P114-M173 HydrophobicContact CG-CE 4.43Å; V115-M173 HydrophobicContact CG2-CE 4.04Å; Y119-M173 HydrophobicContact CE2-CB 4.29Å; Y119-M173 HydrophobicContact CE2-CE 4.15Å; Y119-M173 HydrophobicContact CE2-CG 3.76Å; Y119-M173 HydrophobicContact CE2-SD 4.22Å; Y119-M173 WeakPolarHBondContact OH-CB 3.31Å; Y119-M173 WeakPolarHBondContact OH-CG 3.39Å; R170-M173 HydrophobicContact CB-CE 4.42Å; R170-M173 HydrophobicContact CB-SD 4.19Å; R170-M173 HydrophobicContact CG-SD 3.91Å; R170-M173 WeakPolarHBondContact O-CE 3.27Å
174V81.6Confident72.1Confident69 Ų6974.7 Ų74.742%0.41841%0.412SS..  trans-117.5123.1178.1-179.20000108.8K172 N176K172-V174 HydrophobicContact CG-CG2 4.03Å; K172-V174 PolarHBondContact O-N 2.78Å; K172-V174 VanDerWaalsContact O-N 3.15Å; V174-N176 PolarHBondContact O-N 3.31Å
175I78.9Confident69.2Low43 Ų4378.9 Ų78.922%0.22144%0.435CS..  trans-78.7116.1165.4-56.7175.5000105.4L63 T65 E69 L71 N177L63-I175 HydrophobicContact CD2-CD1 4.25Å; T65-I175 HydrophobicContact CG2-CD1 3.54Å; E69-I175 HydrophobicContact CB-CG2 4.3Å; L71-I175 HydrophobicContact CB-CG1 4.23Å; L71-I175 HydrophobicContact CD1-CG1 4.45Å; L71-I175 HydrophobicContact CD2-CG1 3.94Å; L71-I175 HydrophobicContact CG-CG1 4.45Å; I175-N177 PolarHBondContact O-N 3Å; I175-N177 PolarHBondContact O-OD1 3.43Å
176N65.2Low66.3Low128 Ų12882.9 Ų82.968%0.68446%0.461SS*.  trans-77.595175.5-77.2-15.2000108V174 G178V174-N176 PolarHBondContact O-N 3.31Å; N176-G178 PolarHBondContact O-N 3.27Å
177N56.5Low63.5Low128 Ų12887.9 Ų87.968%0.68449%0.491SS*.THydrogen-bonded Turntrans-6417175.5-63.451000114.1I175I175-N177 PolarHBondContact O-N 3Å; I175-N177 PolarHBondContact O-OD1 3.43Å
178G48.4Very low60.9Low69 Ų6990.3 Ų90.371%0.71150%0.503SS*.THydrogen-bonded Turntrans-115.42.1-16800000115.9N176N176-G178 PolarHBondContact O-N 3.27Å
179K44.8Very low58.8Low178 Ų17896.7 Ų96.777%0.77454%0.537SS*.  trans-132.7100.6170.5-66.4-177.9-177.51760108.2Q181K179-Q181 PolarHBondContact O-N 3.42Å
180T37.8Very low56.9Low128 Ų12896.9 Ų96.979%0.78554%0.544SS*.  trans-5392.7147.7180000106.3D182T180-D182 PolarHBondContact O-N 3.48Å
181Q44.6Very low55.7Low160 Ų16097.8 Ų97.875%0.74855%0.553SS**  trans-69.386155.9-88-171.5-1.300105.2K179 A183K179-Q181 PolarHBondContact O-N 3.42Å; Q181-A183 HydrophobicContact CB-CB 4.41Å; Q181-A183 PolarHBondContact O-N 2.87Å
182D38.3Very low54.8Low148 Ų14899.7 Ų99.779%0.79156%0.559SS**  trans-69.439.8153.5-74.3-37.4000109.7T180T180-D182 PolarHBondContact O-N 3.48Å
183A40.1Very low54Low53 Ų5394.6 Ų94.644%0.43854%0.537SS..SBendtrans-89.3123.8159.800000104.9Q181 M185Q181-A183 HydrophobicContact CB-CB 4.41Å; Q181-A183 PolarHBondContact O-N 2.87Å; A183-M185 PolarHBondContact O-N 3.2Å
184P32.6Very low53.5Low121 Ų12198.5 Ų98.579%0.78655%0.553SS**  trans-52.2124.8163.323.9-29.6000105.5P186P184-P186 VanDerWaalsContact O-N 3.09Å
185M36.2Very low53.2Low137 Ų13795.7 Ų95.768%0.67554%0.536SS*.  trans-33.8124.2174.3-84.6-93.7-104.300107.5A183 V187A183-M185 PolarHBondContact O-N 3.2Å; M185-V187 VanDerWaalsContact C-N 3.34Å; M185-V187 PolarHBondContact O-N 2.91Å
186P36.3Very low52.1Low87 Ų87100.6 Ų100.657%0.56556%0.559SS**  trans-52.6117.4165.522.5-28.3000103.6P184 M188P184-P186 VanDerWaalsContact O-N 3.09Å; P186-M188 PolarHBondContact O-N 2.85Å
187V37.9Very low51.4Low127 Ų12796.9 Ų96.977%0.7754%0.542SS*.  trans-66.180.1175.4-179.80000103.8M185 L189M185-V187 VanDerWaalsContact C-N 3.34Å; M185-V187 PolarHBondContact O-N 2.91Å; V187-L189 PolarHBondContact O-N 2.63Å
188M44.5Very low50.8Low55 Ų5597.6 Ų97.627%0.27155%0.545SS..  trans-64.8111168-75.7-143.8-64.200103.6Q133 P139 P186 G190Q133-M188 PolarHBondContact NE2-O 3.33Å; P139-M188 HydrophobicContact CB-CE 4.19Å; P139-M188 HydrophobicContact CB-SD 4.06Å; P186-M188 PolarHBondContact O-N 2.85Å; M188-G190 PolarHBondContact O-N 3.07Å
189L52.1Low50.7Low163 Ų163100.8 Ų100.885%0.85355%0.545SS*.  trans-61.480.9171.1-93.187.7000108V187V187-L189 PolarHBondContact O-N 2.63Å
190G55.4Low50.1Low21 Ų21104 Ų10422%0.21655%0.553CS.*  trans-148.1135.6172.800000108.2I134 M188 Q192I134-G190 WeakPolarHBondContact O-CA 3.27Å; M188-G190 PolarHBondContact O-N 3.07Å; G190-Q192 PolarHBondContact O-N 2.87Å
191V71.3Confident49.8Very low47 Ų47101.1 Ų101.129%0.28555%0.549SS..EExtended strand (participates in β ladder)trans-74.8124177-177.50000107.5V41 E44 S45V41-V191 HydrophobicContact CG1-CB 3.95Å; V41-V191 HydrophobicContact CG1-CG1 3.89Å; V41-V191 HydrophobicContact CG2-CG1 4.33Å; E44-V191 HydrophobicContact CB-CG2 3.85Å; S45-V191 WeakPolarHBondContact OG-CB 3.07Å; S45-V191 PolarHBondContact OG-N 3.01Å
192Q72.6Confident49.4Very low85 Ų85100.3 Ų100.340%0.39755%0.554SS.*EExtended strand (participates in β ladder)trans-89.7127178.3-179.5168.676.500109.5Y132 G190Y132-Q192 WeakPolarHBondContact O-CA 3.34Å; G190-Q192 PolarHBondContact O-N 2.87Å
193G72.9Confident49Very low3 Ų399.3 Ų99.33%0.03155%0.553CS.*EExtended strand (participates in β ladder)trans-103148167.700000111.1Y132Y132-G193 PolarHBondContact N-O 3.02Å; Y132-G193 VanDerWaalsContact N-O 3.14Å; Y132-G193 PolarHBondContact O-N 2.93Å
194K76.3Confident49Very low119 Ų119104.1 Ų104.152%0.51757%0.572SS.*EExtended strand (participates in β ladder)trans-102132.9173.9-174.2176.7177.3179.80108.3M196K194-M196 PolarHBondContact O-N 3.29Å; K194-M196 VanDerWaalsContact O-N 3.09Å
195M75.4Confident49.2Very low9 Ų9103.5 Ų103.54%0.04457%0.57CS.*  trans-74.1106.5172.3-61.6-178.2-171.100108.2I6 R9 I61 L130 Y132 T197I6-M195 HydrophobicContact CG2-CE 4.43Å; R9-M195 HydrophobicContact CB-CE 3.41Å; R9-M195 VanDerWaalsContact CB-CE 3.41Å; R9-M195 HydrophobicContact CB-SD 3.34Å; R9-M195 WeakPolarHBondContact CB-SD 3.26Å; R9-M195 HydrophobicContact CG-CE 4.02Å; I61-M195 HydrophobicContact CD1-CE 4.07Å; L130-M195 HydrophobicContact CB-CE 4.35Å; L130-M195 HydrophobicContact CB-SD 3.64Å; L130-M195 WeakPolarHBondContact O-CB 3.27Å; L130-M195 WeakPolarHBondContact O-CG 3.4Å; L130-M195 PolarHBondContact O-N 3.35Å; Y132-M195 HydrophobicContact CD1-CE 3.9Å; Y132-M195 HydrophobicContact CD1-CG 4.02Å; Y132-M195 HydrophobicContact CE1-CG 4.41Å; Y132-M195 HydrophobicContact CG-CE 4.41Å; M195-T197 PolarHBondContact O-N 3.23Å
196M54.8Low49.5Very low146 Ų146104.9 Ų104.972%0.71958%0.58SS**  trans-84.8111.4176.3-148.1156.9104.300108.7K194K194-M196 PolarHBondContact O-N 3.29Å; K194-M196 VanDerWaalsContact O-N 3.09Å
197T52Low49.3Very low51 Ų51106 Ų10631%0.31359%0.59SS.*  trans-85.3111.9166.849.30000108.2Q123 M195 L199Q123-T197 HydrophobicContact CG-CG2 4.01Å; M195-T197 PolarHBondContact O-N 3.23Å; T197-L199 VanDerWaalsContact C-N 3.29Å; T197-L199 PolarHBondContact O-N 2.96Å
198D42.5Very low49.4Very low142 Ų142106.1 Ų106.176%0.75960%0.595SS**  trans-65.691.6167.1-78-31.7000109.1R200D198-R200 PolarHBondContact O-N 3.09Å
199L45.9Very low49.2Very low136 Ų136106.8 Ų106.871%0.71262%0.615SS**  trans-83.514.5171.7-81.2164.6000112.6T197T197-L199 VanDerWaalsContact C-N 3.29Å; T197-L199 PolarHBondContact O-N 2.96Å
200R33.1Very low48.7Very low246 Ų246106.9 Ų106.993%0.92862%0.616SS**  trans-102.394.4178-82.3-175.5168.6-156.3-3110.4D198D198-R200 PolarHBondContact O-N 3.09Å
201G31.7Very low47.9Very low68 Ų68111.2 Ų111.270%0.70164%0.641SS**  trans176.334.5171.600000118.3
202V35.6Very low46.5Very low143 Ų143117.7 Ų117.787%0.86767%0.673SS**  trans-154.975.5152.8-167.60000110
203T30.7Very low44.7Very low126 Ų126116.5 Ų116.577%0.77368%0.684SS**  trans-144.997.9157.549.10000106.9
204D38.6Very low43.1Very low155 Ų155126.3 Ų126.383%0.82973%0.729SS**  trans171.5133.5135.2-85-21.8000112
205S38Very low41.8Very low107 Ų107123.8 Ų123.875%0.74873%0.726SS**  trans73.697.5164.1690000119.4
206L41.9Very low40.2Very low167 Ų167129.6 Ų129.687%0.87475%0.753SS**  166.4101.4109.4-81.6173.2000111.6
207S33Very low39.8Very low111 Ų111128 Ų12878%0.77675%0.751SS**  trans23.9125.2130.3162.90000120.8
208C39.8Very low39.3Very low129 Ų129132 Ų13287%0.87277%0.77SS**  trans86.9103.3151.6-108.10000119.9
209G39.7Very low39.3Very low68 Ų68133.6 Ų133.670%0.70177%0.766SS**  trans77.695132.100000118.2
210D42.5Very low39.1Very low165 Ų165132.3 Ų132.388%0.88276%0.756SS**  -178.4137117.9-92.6-27.2000111.1
211P37.2Very low39.5Very low112 Ų112124.5 Ų124.573%0.72773%0.732SS**  trans-94115.8174.933.3-23.2000108.4
212L42Very low39.9Very low184 Ų184127 Ų12796%0.96373%0.73SS**  trans174.7118.6154.8-94.2156.3000110
213G35.3Very low40Very low60 Ų60124.5 Ų124.562%0.61972%0.718SS**  trans114.619.614100000121S215G213-S215 VanDerWaalsContact C-N 3.25Å; G213-S215 PolarHBondContact O-N 3.02Å
214E39.2Very low40.5Very low209 Ų209126 Ų12698%0.97771%0.71SS**THydrogen-bonded Turntrans-82.167.1168.8-63.3-163.3144.100111.6
215S48Very low40.7Very low66 Ų66125.8 Ų125.846%0.46270%0.699SS.*THydrogen-bonded Turntrans-149-0.9168.474.80000115.8G213G213-S215 VanDerWaalsContact C-N 3.25Å; G213-S215 PolarHBondContact O-N 3.02Å
216E41.9Very low40.6Very low131 Ų131125.9 Ų125.961%0.61270%0.697SS**Hα-helixtrans-88.8-33.3-174.3-146.182.5-157.200113.3N218 R219 Q220E216-N218 PolarHBondContact O-N 3.36Å; E216-R219 PolarHBondContact O-N 3.3Å; E216-Q220 PolarHBondContact O-N 2.92Å
217V46.7Very low40.6Very low111 Ų111126.1 Ų126.167%0.67370%0.698SS**Hα-helixtrans-71.6-32.1-167.6-175.50000113.2
218N42.6Very low40.8Very low135 Ų135123.5 Ų123.572%0.72268%0.683SS**Hα-helixtrans-84-27.4175-80.9-22.8000112.9E216 Q220 L221E216-N218 PolarHBondContact O-N 3.36Å; N218-Q220 VanDerWaalsContact C-N 3.29Å; N218-L221 PolarHBondContact O-N 2.94Å
219R42.2Very low41Very low176 Ų176123.5 Ų123.566%0.66467%0.67SS**Hα-helixtrans-70.5-28.9172.7-77.6-176.7165.6153.9-1.9112.2E216 L221 D222E216-R219 PolarHBondContact O-N 3.3Å; R219-L221 PolarHBondContact O-N 3.2Å; R219-D222 PolarHBondContact O-N 3.2Å
220Q41.4Very low40.9Very low110 Ų110122.1 Ų122.151%0.51465%0.649SS.*Hα-helixtrans-70.9-13.7173-129.1-178.8-14.800113.3E216 N218 W224E216-Q220 PolarHBondContact O-N 2.92Å; N218-Q220 VanDerWaalsContact C-N 3.29Å; Q220-W224 PolarHBondContact O-NE1 3.33Å
221L41.5Very low40.7Very low81 Ų81119.6 Ų119.642%0.42464%0.639SS.*Hα-helixtrans-77.4-35.4171.9-106.682.4000112.5N218 R219 S223N218-L221 PolarHBondContact O-N 2.94Å; R219-L221 PolarHBondContact O-N 3.2Å; L221-S223 VanDerWaalsContact C-N 3.34Å
222D39.2Very low40.9Very low122 Ų122119.3 Ų119.365%0.65263%0.627SS**Hα-helixtrans-76-21.4-176.4-75.4-29.8000112.5R219R219-D222 PolarHBondContact O-N 3.2Å
223S38.3Very low40.6Very low89 Ų89116 Ų11662%0.62261%0.614SS**THydrogen-bonded Turntrans-82.2-10.2177.274.10000114.7L221L221-S223 VanDerWaalsContact C-N 3.34Å
224W41.4Very low40.6Very low159 Ų159116.9 Ų116.960%0.60261%0.611SS**THydrogen-bonded Turntrans-96.1-3.8-173.9-71.756.6000114Q220Q220-W224 PolarHBondContact O-NE1 3.33Å
225Y43.2Very low40.4Very low149 Ų149111 Ų11158%0.58459%0.586SS**SBendtrans-123.3104.9175.7-72.6-84.7000109.8L227Y225-L227 PolarHBondContact O-N 3.08Å
226P35.2Very low40Very low109 Ų109110.5 Ų110.571%0.70859%0.586SS**  trans-54.1136163.9-17.529.3000108.2A228P226-A228 PolarHBondContact O-N 2.92Å
227L42.7Very low39.8Very low173 Ų173111 Ų11191%0.90659%0.589SS**  trans-61.128.8172.5-79.1164000113.6Y225 E229Y225-L227 PolarHBondContact O-N 3.08Å; L227-E229 PolarHBondContact O-N 2.98Å
228A37.6Very low39.6Very low55 Ų55109.5 Ų109.546%0.45558%0.577SS.*  trans-69.8114.5169.100000107.8P226P226-A228 PolarHBondContact O-N 2.92Å
229E42.8Very low39.3Very low129 Ų129105.4 Ų105.460%0.60355%0.553SS**  trans-46.9137.2165-65.6-142.7152.500109.1K149 L227 V231K149-E229 IonicContact NZ-OE1 2.91Å; K149-E229 IonicContact NZ-OE2 3.66Å; K149-E229 PolarHBondContact NZ-OE2 3.24Å; L227-E229 PolarHBondContact O-N 2.98Å; E229-V231 VanDerWaalsContact C-N 3.28Å; E229-V231 PolarHBondContact O-N 3.18Å
230P38.7Very low39.2Very low40 Ų40100.1 Ų100.126%0.2654%0.541SS..  trans-66.297169.327.8-31.2000107.6F232P230-F232 VanDerWaalsContact C-N 3.27Å; P230-F232 HydrophobicContact CB-CD2 3.92Å; P230-F232 HydrophobicContact CB-CE2 3.61Å; P230-F232 HydrophobicContact CB-CZ 4.39Å; P230-F232 HydrophobicContact CG-CD2 4.5Å; P230-F232 HydrophobicContact CG-CE2 4.17Å; P230-F232 PolarHBondContact O-N 3.04Å
231V38.7Very low39.4Very low111 Ų111101.5 Ų101.567%0.67356%0.557SS**  trans-71.992.4163.9-175.70000105.8E229 T233E229-V231 VanDerWaalsContact C-N 3.28Å; E229-V231 PolarHBondContact O-N 3.18Å; V231-T233 HydrophobicContact CG1-CG2 3.85Å; V231-T233 PolarHBondContact O-N 3.19Å
232F39.9Very low39.4Very low106 Ų106101 Ų10147%0.46557%0.572SS.*  trans-79.296.6161.3-71.9-79.6000106P230 S234P230-F232 VanDerWaalsContact C-N 3.27Å; P230-F232 HydrophobicContact CB-CD2 3.92Å; P230-F232 HydrophobicContact CB-CE2 3.61Å; P230-F232 HydrophobicContact CB-CZ 4.39Å; P230-F232 HydrophobicContact CG-CD2 4.5Å; P230-F232 HydrophobicContact CG-CE2 4.17Å; P230-F232 PolarHBondContact O-N 3.04Å; F232-S234 VanDerWaalsContact C-N 3.28Å; F232-S234 PolarHBondContact O-N 3.38Å
233T35.2Very low39.3Very low114 Ų11495.6 Ų95.670%0.69954%0.543SS*.  trans-67.394.2167.144.10000107.5V231 N235V231-T233 HydrophobicContact CG1-CG2 3.85Å; V231-T233 PolarHBondContact O-N 3.19Å; T233-N235 VanDerWaalsContact C-N 3.32Å; T233-N235 PolarHBondContact O-N 3.04Å
234S37Very low39.2Very low79 Ų7998 Ų9855%0.55254%0.538SS*.  trans-69.695.8162.256.90000107.1F232 A236F232-S234 VanDerWaalsContact C-N 3.28Å; F232-S234 PolarHBondContact O-N 3.38Å; S234-A236 PolarHBondContact O-N 3.19Å
235N34.1Very low39Very low85 Ų8597.5 Ų97.546%0.45555%0.547SS..  trans-66.895.1161.8-89.63.3000106.7T233 E237 N238T233-N235 VanDerWaalsContact C-N 3.32Å; T233-N235 PolarHBondContact O-N 3.04Å; N235-E237 PolarHBondContact O-N 2.6Å; N235-N238 PolarHBondContact O-N 3Å; N235-N238 VanDerWaalsContact O-N 3.17Å
236A40.4Very low38.3Very low57 Ų5796.2 Ų96.247%0.47156%0.56SS.*G310 helixtrans-57.3-7.8172.600000112.5S234 R244S234-A236 PolarHBondContact O-N 3.19Å; A236-R244 PolarHBondContact O-NE 3.39Å
237E37.8Very low38.2Very low141 Ų14196.5 Ų96.566%0.65956%0.563SS**G310 helixtrans-85.6-16.9179.5-54.1-155.2123.500114.8N235 F239N235-E237 PolarHBondContact O-N 2.6Å; E237-F239 VanDerWaalsContact C-N 3.3Å; E237-F239 PolarHBondContact O-N 3.45Å
238N41.5Very low37.7Very low79 Ų7992.1 Ų92.142%0.42256%0.559SS.*G310 helixtrans-88.111.8179.7-75.713.1000114N235 A489N235-N238 PolarHBondContact O-N 3Å; N235-N238 VanDerWaalsContact O-N 3.17Å; N238-A489 PolarHBondContact ND2-O 3.29Å
239F37.2Very low37.5Very low50 Ų5099 Ų9922%0.21958%0.582CS.*SBendtrans-91.4138.1173.5-69.6-81.1000109.9C155 E237 V241 C243 R244C155-F239 HydrophobicContact CB-CE1 4.44Å; E237-F239 VanDerWaalsContact C-N 3.3Å; E237-F239 PolarHBondContact O-N 3.45Å; F239-V241 PolarHBondContact O-N 2.83Å; F239-C243 HydrophobicContact CB-CB 4.06Å; F239-C243 HydrophobicContact CD1-CB 4.25Å; F239-R244 HydrophobicContact CB-CG 4.3Å
240P39.8Very low37.2Very low65 Ų6599.6 Ų99.642%0.42260%0.595SS.*  trans-51.714216720.7-28.7000108.4G242 C243P240-G242 PolarHBondContact O-N 3.31Å; P240-C243 HydrophobicContact CG-CB 4Å; P240-C243 WeakPolarHBondContact O-CB 3.31Å; P240-C243 PolarHBondContact O-N 3.36Å
241V46.1Very low36.8Very low138 Ų138103.3 Ų103.384%0.83662%0.622SS**G310 helixtrans-50.9-27.9-169177.70000112.9F239 C243F239-V241 PolarHBondContact O-N 2.83Å; V241-C243 VanDerWaalsContact C-N 3.33Å; V241-C243 PolarHBondContact O-N 3.4Å
242G40.4Very low36.5Very low72 Ų72102.6 Ų102.674%0.74263%0.628SS**G310 helixtrans-77.1-117500000116.9P240P240-G242 PolarHBondContact O-N 3.31Å
243C38.1Very low36.4Very low8 Ų8103.5 Ų103.55%0.05464%0.644CS.*G310 helixtrans-119.74-173.2-83.70000114.2R164 F239 P240 V241 L245R164-C243 VanDerWaalsContact NH2-CB 3.26Å; R164-C243 PolarHBondContact NH2-O 2.91Å; R164-C243 PolarHBondContact NH2-SG 3.48Å; F239-C243 HydrophobicContact CB-CB 4.06Å; F239-C243 HydrophobicContact CD1-CB 4.25Å; P240-C243 HydrophobicContact CG-CB 4Å; P240-C243 WeakPolarHBondContact O-CB 3.31Å; P240-C243 PolarHBondContact O-N 3.36Å; V241-C243 VanDerWaalsContact C-N 3.33Å; V241-C243 PolarHBondContact O-N 3.4Å; C243-L245 PolarHBondContact O-N 3.44Å
244R35.7Very low36.2Very low138 Ų138106.6 Ų106.652%0.52165%0.651SS.*  trans-75.9109.5173.8-75.4-172.6-178.6-170.22.1109.6A236 F239A236-R244 PolarHBondContact O-NE 3.39Å; F239-R244 HydrophobicContact CB-CG 4.3Å
245L37.4Very low36.1Very low150 Ų150109.4 Ų109.479%0.78566%0.664SS**  trans-77.2119.3167.5-71.9167.7000108.6C243 C247C243-L245 PolarHBondContact O-N 3.44Å; L245-C247 PolarHBondContact O-N 3.04Å
246S28.3Very low36.4Very low122 Ų122111.2 Ų111.285%0.85368%0.679SS**  trans-76106.217159.90000109.7
247C33.9Very low36.2Very low115 Ų115113.5 Ų113.578%0.77769%0.688SS**  trans-110.4120.8163-72.60000108L245L245-C247 PolarHBondContact O-N 3.04Å
248G31.9Very low36.1Very low80 Ų80115.4 Ų115.483%0.82570%0.695SS**  trans-66.3131.4-175.300000112.8
249E32.6Very low35.8Very low199 Ų199118.2 Ų118.293%0.9371%0.709SS**  trans-82.9115171.3-65.8-179.1126.100109.6
250T35.6Very low35.7Very low142 Ų142121.9 Ų121.987%0.87174%0.736SS**  trans-87.4124.4159.1410000109.5
251S32.1Very low35.6Very low119 Ų119130 Ų13083%0.83276%0.758SS**  trans-55.7137.6-179.757.10000115.7
252A32Very low35Very low96 Ų96127.5 Ų127.579%0.79375%0.752SS**  trans-157.6150.5146.100000111.2
253P37.4Very low35Very low124 Ų124129.1 Ų129.181%0.80575%0.752SS**  trans-101.6166.3-142.537.8-33.8000116.1
254Q31.1Very low35Very low179 Ų179136 Ų13684%0.83679%0.788SS**  trans-62.9141.1176.6-60-173.84.800113.4
255V35.3Very low35.3Very low138 Ų138134.5 Ų134.584%0.83680%0.799SS**  trans-135111158179.70000108.7
256T40.2Very low35.4Very low124 Ų124131.5 Ų131.576%0.76180%0.796SS**  trans-90.6142.2163.539.50000109.5
257P36Very low36Very low104 Ų104134.3 Ų134.368%0.67580%0.796SS**  trans-108.7138.8166.233.6-22.1000111
258F34.7Very low36.4Very low181 Ų181135.1 Ų135.179%0.79480%0.797SS**  164.8124.2123-104.4-99.8000111.8
259L35.7Very low36.7Very low139 Ų139136.7 Ų136.773%0.72880%0.795SS**  trans43.3127.7148.9-55.5174.7000117.9
260T36.3Very low37Very low127 Ų127132.1 Ų132.178%0.77979%0.791SS**  178.714558.5-30.10000109.5
261R35.9Very low37Very low234 Ų234130.1 Ų130.188%0.88379%0.789SS**  trans67.6101.8144.4-144.3168.1-179.2147.8-0.7121.8
262A35.3Very low37.6Very low86 Ų86130.1 Ų130.171%0.71179%0.789SS**  54.3129.1125.600000123.8
263S40Very low37.7Very low107 Ų107130.8 Ų130.875%0.74879%0.788SS**  trans95.6104.7138.6-66.30000120.9
264D38.2Very low37.8Very low151 Ų151131.1 Ų131.181%0.80779%0.792SS**  69.5124129.5-74.9-30.5000123.8
265S42.2Very low37.9Very low108 Ų108130.1 Ų130.176%0.75579%0.792SS**  trans93.7119.6132.8620000121.4
266A39.4Very low38.2Very low86 Ų86129.8 Ų129.871%0.71180%0.796SS**  trans57.5109.1138.600000118.1
267E40.2Very low38Very low182 Ų182128.9 Ų128.985%0.8580%0.795SS**  107.1148.882.4-94-159.2135.900110.8
268V42.3Very low38.1Very low132 Ų132128 Ų12880%0.879%0.79SS**  trans90.5117.8160-156.80000119.2
269S37.9Very low38.5Very low112 Ų112130.4 Ų130.478%0.78380%0.796SS**  trans-50.4151.4167.4-39.30000115.9
270A39.2Very low38.5Very low103 Ų103134.3 Ų134.385%0.85180%0.801SS**  175.1145.1124.600000111.7
271A35.6Very low38.4Very low101 Ų101133 Ų13384%0.83579%0.792SS**  trans-75154.3176.900000113
272S43.8Very low38.6Very low118 Ų118128.6 Ų128.683%0.82579%0.787SS**  trans-159.6124.9143.966.80000112.2
273S36Very low38.6Very low111 Ų111131.3 Ų131.378%0.77679%0.788SS**  trans-66.9152162.3129.80000110.8
274C38.1Very low38.5Very low131 Ų131133.7 Ų133.789%0.88579%0.791SS**  trans-162.2111.4150.4-83.90000109.9
275D34Very low38.4Very low158 Ų158131 Ų13185%0.84578%0.784SS**  trans-83.6148.5155.9-94-41.6000109.1
276S40.3Very low38.2Very low131 Ų131134.6 Ų134.692%0.91679%0.789SS**  trans-165.4142.2152.3-82.20000112.9
277S37.2Very low38.4Very low105 Ų105136.5 Ų136.573%0.73480%0.797SS**  trans-101.2-174.3-166.656.30000114.8
278C38.3Very low38.4Very low86 Ų86136 Ų13658%0.58180%0.799SS**  trans102.5138.6158.3-53.30000114.9
279Y42.3Very low39.2Very low230 Ų230134.8 Ų134.890%0.90279%0.794SS**  cis-152.3173.133.7-85.1-82.7000113.6
280R36.1Very low39.7Very low221 Ų221135.3 Ų135.383%0.83480%0.795SS**  trans-124145.7-161.1-160.6-159177.8160.8-2111
281T33.2Very low39.7Very low99 Ų99134.6 Ų134.661%0.60779%0.789SS**  trans45.3142.4146.6490000125.2
282D41.6Very low39.9Very low143 Ų143137.4 Ų137.477%0.76579%0.789SS**  166.9110.6118.9-76.4-20.2000111.5
283I35.9Very low39.8Very low143 Ų143136.5 Ų136.573%0.73378%0.783SS**  61.3133.588.6-38.8173.1000118.7
284L36.9Very low40.4Very low157 Ų157140.3 Ų140.382%0.82279%0.788SS**  trans99.3146.8154.8-55.7175.4000117.4
285S37.1Very low40.3Very low93 Ų93143.9 Ų143.965%0.6579%0.789SS**  cis-178.7150.8-23.2-92.70000108.3
286E36.8Very low41.1Very low185 Ų185141.7 Ų141.786%0.86478%0.783SS**  trans55.5127151-82.6174.692.300124.5
287S43.8Very low41.4Very low125 Ų125139.7 Ų139.787%0.87478%0.775SS**  166.4146.9106.146.10000114.3
288L40.2Very low41.8Very low172 Ų172142.5 Ų142.590%0.90178%0.781SS**  trans-94.4171.1-170.2-90.4153.2000114.8
289P58.9Low42.5Very low107 Ų107143.5 Ų143.570%0.69579%0.786SS**  trans-99.8-173.2-168.242.5-36.8000114.4
290P48.7Very low43.2Very low123 Ų123137.9 Ų137.980%0.79978%0.778SS**  -163.2171.697.540.6-18.7000119.9
291A38.3Very low43.7Very low88 Ų88133 Ų13373%0.72778%0.778SS**  trans60.2137139.800000125.5
292L41.3Very low44Very low160 Ų160133.9 Ų133.984%0.83879%0.788SS**  162.1115122.1-83.3178.4000112.3
293S41.6Very low44.3Very low98 Ų98132.8 Ų132.869%0.68579%0.788SS**  75.6133.8109.672.60000115.4
294E47.2Very low44.3Very low192 Ų192131.1 Ų131.190%0.89779%0.789SS**  cis-162.3164.947-71.7177129.400113.1
295F36.7Very low44.5Very low205 Ų205132.2 Ų132.290%0.89979%0.793SS**  trans-108.9-161.2-176.7-104.6-77.2000110.6
296P50.4Low44.5Very low112 Ų112131.6 Ų131.673%0.72779%0.789SS**  cis-140.3-171.2-34.132.9-11.4000115.5
297A46.8Very low44.2Very low89 Ų89131 Ų13174%0.73679%0.789SS**  trans114.6144.2143.500000117.7
298L46Very low43.9Very low165 Ų165128.7 Ų128.786%0.86479%0.786SS**  cis-172171.1-13.5-99.6174.1000106.6
299P52Low43.4Very low107 Ų107128.4 Ų128.470%0.69578%0.783SS**  trans-114.3-137.3-156.445.8-34.9000112.6
300P56.5Low42.1Very low112 Ų112128 Ų12873%0.72778%0.782SS**  cis-135179.7-31.538.2-20.5000114.4
301S47.4Very low41.4Very low119 Ų119130 Ų13083%0.83278%0.781SS**  trans176123.2139.657.40000116.2
302S39.9Very low41.3Very low117 Ų117133.9 Ų133.982%0.81878%0.784SS**  trans-80.4-166.9160.1-35.30000110.7
303P47Very low40.9Very low119 Ų119129.9 Ų129.977%0.77377%0.774SS**  cis-149.6165.517.941.5-18.3000120.1
304S36.6Very low40.7Very low108 Ų108132.2 Ų132.276%0.75578%0.779SS**  32.7137.1126.8-1440000124.8
305M40.6Very low40.1Very low180 Ų180132 Ų13289%0.88778%0.778SS**  trans155.5148.7134.6-91.9-166.9-87.400110.5
306S36.7Very low40.1Very low81 Ų81126.1 Ų126.157%0.56677%0.767SS**  cis172.4138-32.5400000108
307I31.4Very low39.5Very low172 Ų172128.6 Ų128.688%0.88277%0.772SS**  trans65.9132.3141.6-57.4162.6000120.7
308G36.7Very low39Very low77 Ų77133.6 Ų133.679%0.79478%0.778SS**  trans168.7104151.300000116.3
309I30.4Very low38.9Very low166 Ų166131.4 Ų131.485%0.85177%0.774SS**  trans-90.9160.1179.6-65.3161.6000111.2
310S32.5Very low38.1Very low97 Ų97131.3 Ų131.368%0.67878%0.782SS**  trans125.7109147.9-169.80000113.6
311Q34.1Very low37.1Very low166 Ų166129.2 Ų129.278%0.77678%0.78SS**  72144.879.3-75.1-168.91.500116.9
312H35Very low36.5Very low170 Ų170128.9 Ų128.979%0.78778%0.778SS**  trans87.5118.8172.5-77.1-87.5000116.7
313A34.2Very low36.3Very low76 Ų76129 Ų12963%0.62878%0.778SS**  cis99.7159.147.200000111.8
314D37.2Very low35.8Very low147 Ų147128.8 Ų128.879%0.78678%0.779SS**  trans89.299.6-179.8-58.8-22.9000115.2
315E34.9Very low35.8Very low187 Ų187132 Ų13287%0.87478%0.782SS**  68.3128.379.5-76.8-145.7149.500112.5
316A34.8Very low35.8Very low81 Ų81129.1 Ų129.167%0.66978%0.776SS**  159.9130.8111.200000113.7
317I38.1Very low35.7Very low164 Ų164129.8 Ų129.884%0.84178%0.781SS**  trans93.3101.2134.3-63.3158.3000119.9
318F36.4Very low36.3Very low194 Ų194128.5 Ų128.585%0.85177%0.774SS**  trans-59.6166.6149-93-79.1000112.5
319P44.5Very low36.5Very low120 Ų120134.4 Ų134.478%0.77977%0.773SS**  -163.1162.966.542.1-18.1000121.6
320A34.5Very low37Very low104 Ų104133 Ų13386%0.8677%0.767SS**  trans61.3137.6131.200000125
321G36.7Very low37.7Very low68 Ų68135.9 Ų135.970%0.70177%0.77SS**  trans139.189.7148.800000112.2
322S34Very low38.1Very low113 Ų113135 Ų13579%0.7977%0.766SS**  78136.966.575.50000116.3
323C35.5Very low38.3Very low120 Ų120134.7 Ų134.781%0.81177%0.765SS**  trans98.3135165.9-57.20000115.8
324S37.1Very low38.7Very low113 Ų113139.8 Ų139.879%0.7978%0.775SS**  cis-179.1141.6-9.837.90000108.6
325H36.6Very low38.8Very low176 Ų176141.6 Ų141.682%0.81578%0.779SS**  trans-48.8168.2166.8-104.3-83.8000114.9
326P40.9Very low39Very low119 Ų119141.3 Ų141.377%0.77378%0.778SS**  -147.8150.256.334.2-9.9000116.9
327S34.5Very low39Very low96 Ų96145.6 Ų145.667%0.67178%0.784SS**  83.8150.884-163.10000116.3
328I42.8Very low39.1Very low144 Ų144143.4 Ų143.474%0.73878%0.778SS**  trans102.6127.1160-59171.3000113.9
329R41.8Very low38.9Very low202 Ų202142.9 Ų142.976%0.76278%0.778SS**  cis-169.6138.21.7-110.9174.6155.2165.2-17.7105.9
330D40.3Very low38.7Very low137 Ų137147.5 Ų147.573%0.73378%0.782SS**  56.7135.288.8-48.6-41.2000112.9
331E46.9Very low38.5Very low157 Ų157145.7 Ų145.773%0.73477%0.773SS**  cis-162.4141.234.7-70.3-178.2155.100109
332E43Very low38.5Very low147 Ų147148.5 Ų148.569%0.68778%0.777SS**  82.9118101.7-66.2-178164.500116.2
333E40Very low38.6Very low164 Ų164149.4 Ų149.477%0.76678%0.778SS**  83.1142.8114.7-67.1-173.6163.500112.1
334E43Very low38.3Very low182 Ų182150.2 Ų150.285%0.8578%0.779SS**  cis-156.9166.537-75.9-179.6125.400111.2
335E38.7Very low38.2Very low185 Ų185148.6 Ų148.686%0.86478%0.78SS**  trans-58.1148.1165.1-66.3173.3125.900113.7
336E39.8Very low37.7Very low182 Ų182144.4 Ų144.485%0.8578%0.776SS**  trans-155.2128.8140.5-144.5179.3164.100113.9
337H34.5Very low37.2Very low171 Ų171147.4 Ų147.479%0.79278%0.784SS**  trans-58.5143.7162.8-87.5-103000111.7
338T39.9Very low36.9Very low118 Ų118151.1 Ų151.172%0.72479%0.791SS**  trans-150.2109.5151.4-9.10000112.9Y340T338-Y340 HydrophobicContact CG2-CD2 3.89Å; T338-Y340 HydrophobicContact CG2-CE2 3.87Å
339E32.7Very low36.5Very low183 Ų183152.6 Ų152.686%0.85580%0.799SS**  trans-79.6128.4160.8-179.6-178.6-173.500108.4
340Y40.3Very low36.2Very low216 Ų216146.4 Ų146.485%0.84780%0.798SS**  trans-142.9111.3160.6-96.1-81.4000109.9T338T338-Y340 HydrophobicContact CG2-CD2 3.89Å; T338-Y340 HydrophobicContact CG2-CE2 3.87Å
341G30.4Very low35.8Very low66 Ų66145.7 Ų145.768%0.6880%0.804SS**  trans-76.2159.3168.100000112.2
342T35.2Very low35.2Very low128 Ų128147.3 Ų147.379%0.78581%0.811SS**  trans-150.6107.4162.5-65.50000111.3
343T36.8Very low34.5Very low131 Ų131149.9 Ų149.980%0.80482%0.82SS**  trans43.9126.7141.863.80000123.7
344V28.9Very low34.1Very low137 Ų137148 Ų14883%0.8382%0.82SS**  trans-55.9139.7167.8177.40000114.7
345G34.4Very low33.4Very low80 Ų80145 Ų14583%0.82581%0.808SS**  trans-138.4104.1153.800000109.1
346A27.6Very low32.8Very low87 Ų87142.1 Ų142.172%0.71980%0.804SS**  trans-83133.8-177.500000111.8
347L29.2Very low32.4Very low182 Ų182142.8 Ų142.895%0.95380%0.8SS**  trans-145.7123.7149.1-121.7140.4000108.8
348Q28.3Very low31.9Very low175 Ų175138.4 Ų138.482%0.81880%0.801SS**  trans-101.7135.2-162-177.5170.9-1700108.8
349I34.4Very low31.5Very low174 Ų174138.6 Ų138.689%0.89280%0.802SS**  trans-171.5131.3147.3-86.2138.1000108
350G35.5Very low31.5Very low73 Ų73135.2 Ų135.275%0.75380%0.796SS**  trans105.1103.9151.400000116.2
351S33Very low31Very low122 Ų122132 Ų13285%0.85380%0.798SS**  trans-67.2122.6-179.449.50000114.9
352E33.1Very low31Very low190 Ų190133.6 Ų133.689%0.88880%0.799SS**  trans-156.8131.3142.9-131.3173168.400111.4V354E352-V354 PolarHBondContact O-N 3.09Å
353K29Very low30.8Very low201 Ų201136.1 Ų136.187%0.87480%0.802SS**  trans-72.2113.1-178.4-80.2175.5173177.60109.6
354V30.5Very low30.5Very low126 Ų126137.8 Ų137.876%0.76481%0.805SS**  trans-99.7113.3161.8179.20000107.6E352E352-V354 PolarHBondContact O-N 3.09Å
355I30.1Very low30.5Very low117 Ų117139.3 Ų139.360%0.681%0.807SS**  trans-93108.8169.4-56.8174.6000106.8Y357I355-Y357 HydrophobicContact CB-CE2 4.42Å; I355-Y357 HydrophobicContact CG2-CD2 3.58Å; I355-Y357 HydrophobicContact CG2-CE1 4.45Å; I355-Y357 HydrophobicContact CG2-CE2 3.14Å; I355-Y357 HydrophobicContact CG2-CG 4.4Å
356T26.4Very low30.3Very low126 Ų126140.7 Ų140.777%0.77380%0.803SS**  trans-85.9117.4168.324.40000109.1
357Y30Very low30.4Very low195 Ų195141.2 Ų141.277%0.76580%0.801SS**  trans-111.7111.8161.1-71.4-69.8000108.8I355I355-Y357 HydrophobicContact CB-CE2 4.42Å; I355-Y357 HydrophobicContact CG2-CD2 3.58Å; I355-Y357 HydrophobicContact CG2-CE1 4.45Å; I355-Y357 HydrophobicContact CG2-CE2 3.14Å; I355-Y357 HydrophobicContact CG2-CG 4.4Å
358G24.9Very low30.4Very low79 Ų79140.8 Ų140.881%0.81480%0.799SS**  trans-77.8129.9157.800000108.7
359V32.1Very low30.6Very low123 Ų123137.8 Ų137.875%0.74579%0.793SS**  trans-132.9129.9169.4-177.80000107.8
360P32Very low30.6Very low112 Ų112135.6 Ų135.673%0.72779%0.79SS**  trans-73.6140.8-18030.3-32.5000111S362P360-S362 PolarHBondContact O-N 3.05Å
361T30.1Very low30.5Very low147 Ų147139.8 Ų139.890%0.90279%0.787SS**  trans-74.3108.4173.843.20000110.8
362S30.1Very low30.5Very low100 Ų100138.7 Ų138.770%0.69979%0.786SS**  trans-159.1126.9157.650.70000109.1P360P360-S362 PolarHBondContact O-N 3.05Å
363E30.1Very low30.6Very low182 Ų182139 Ų13985%0.8578%0.78SS**  trans74.697163.5-50.3-160.516600119.1
364L30.9Very low30.8Very low166 Ų166139.3 Ų139.387%0.86978%0.781SS**  trans-143.985.3140.9-84.1179.9000109.4C366L364-C366 PolarHBondContact O-N 3.49Å
365I29.4Very low31Very low168 Ų168141 Ų14186%0.86279%0.785SS**  trans-76.8100.6157.8-64171.2000106.1S367I365-S367 PolarHBondContact O-N 3.39Å
366C30.8Very low31.1Very low110 Ų110140.7 Ų140.774%0.74379%0.793SS**  trans-86.5104.1167-86.70000109.7L364 L368L364-C366 PolarHBondContact O-N 3.49Å; C366-L368 PolarHBondContact O-N 2.65Å
367S28Very low31.6Very low97 Ų97141 Ų14168%0.67880%0.795SS**  trans-57.1117165.555.10000111.6I365I365-S367 PolarHBondContact O-N 3.39Å
368L30.8Very low32.2Very low174 Ų174137.3 Ų137.391%0.91180%0.795SS**  trans-98.198.6158.6-77.3168.3000108.4C366C366-L368 PolarHBondContact O-N 2.65Å
369T31.2Very low32.4Very low111 Ų111139.6 Ų139.668%0.68180%0.797SS**  trans-85.3137.4159.9470000108.3K371T369-K371 PolarHBondContact O-N 2.88Å
370P34.4Very low32.7Very low128 Ų128144.2 Ų144.283%0.83180%0.801SS**  trans-74.8113177.328.7-29.3000109.1A372P370-A372 PolarHBondContact O-N 3.43Å
371K34Very low33.2Very low162 Ų162146.3 Ų146.370%0.70480%0.801SS**  trans-69.6111.4162.3-79.3-178.5178172.80108.1T369 Y373T369-K371 PolarHBondContact O-N 2.88Å; K371-Y373 HydrophobicContact CB-CE2 4.17Å; K371-Y373 WeakPolarHBondContact O-CD2 3.35Å; K371-Y373 PolarHBondContact O-N 3.42Å
372A32.6Very low33.6Very low99 Ų99147.4 Ų147.482%0.81880%0.801SS**  trans-65.4112.5169.100000109.8P370P370-A372 PolarHBondContact O-N 3.43Å
373Y35.2Very low34.1Very low195 Ų195147.7 Ų147.777%0.76581%0.81SS**  trans-90.1106.4166.7-64-79.2000108.8K371 L375K371-Y373 HydrophobicContact CB-CE2 4.17Å; K371-Y373 WeakPolarHBondContact O-CD2 3.35Å; K371-Y373 PolarHBondContact O-N 3.42Å; Y373-L375 PolarHBondContact O-N 3.39Å
374K33.3Very low34.5Very low208 Ų208148 Ų14890%0.90481%0.809SS**  trans-82.492.5173.3-146.9177.4-169.5178.90107.5S376K374-S376 PolarHBondContact O-N 3.49Å
375L34.6Very low34.9Very low162 Ų162147.2 Ų147.285%0.84880%0.804SS**  trans-79.6113169.1-105.7146.3000108.5Y373Y373-L375 PolarHBondContact O-N 3.39Å
376S33.3Very low35.1Very low110 Ų110144.5 Ų144.577%0.76980%0.799SS**PPolyproline II helixtrans-83.6125.4173.244.20000109K374K374-S376 PolarHBondContact O-N 3.49Å
377V36.7Very low35.2Very low132 Ų132143.6 Ų143.680%0.880%0.8SS**PPolyproline II helixtrans-95.4127.7171.7177.90000107.8
378P42.5Very low35.5Very low118 Ų118145 Ų14577%0.76681%0.805SS**PPolyproline II helixtrans-89.1129165.331.7-25.2000110.3
379C29.3Very low35.9Very low128 Ų128142.1 Ų142.187%0.86579%0.794SS**PPolyproline II helixtrans-61.1140.4171-60.90000112.1
380R37.8Very low36.3Very low219 Ų219144.2 Ų144.283%0.82680%0.801SS**  trans-162.3115.3138.3-129.6-177.9165.4160.40.7114.7
381E43.1Very low36.4Very low157 Ų157143.7 Ų143.773%0.73480%0.8SS**  trans48.6126134.9-63.6172.6149.700121.6
382D37Very low36.7Very low169 Ų169141.4 Ų141.490%0.90480%0.802SS**  trans-55.7137.5171.4-55.6-69.9000114.6
383A41.6Very low36.9Very low107 Ų107145 Ų14588%0.88481%0.806SS**  trans-149.3135.4148.900000111.5
384K38.7Very low37Very low189 Ų189139.4 Ų139.482%0.82280%0.801SS**  trans-84.4155.1-165.2-91.5173.7175.8174.90114.4
385L37.8Very low37.3Very low148 Ų148138.4 Ų138.478%0.77580%0.801SS**  trans78112.1141.1-93.3104.6000121.5
386C33.8Very low37.4Very low111 Ų111134.7 Ų134.775%0.7579%0.794SS**  73.5114.4118.9-67.50000122.8
387A33.3Very low37.9Very low92 Ų92136.2 Ų136.276%0.7680%0.799SS**  73.5123.1123.900000119.9
388T34.5Very low37.6Very low127 Ų127138.5 Ų138.578%0.77980%0.801SS**  177.2114.2111-67.80000111.8
389V38.7Very low37.3Very low113 Ų113144.7 Ų144.769%0.68581%0.809SS**  trans25.8122.1134.2-151.10000120.4
390N39.5Very low37.3Very low155 Ų155144.1 Ų144.183%0.82980%0.802SS**  165.1151.1110.5-87-54.4000115.2
391S36.4Very low37.2Very low117 Ų117140.4 Ų140.482%0.81880%0.803SS**  trans-70.3175.2-163-113.90000119.1
392P40.7Very low36.6Very low113 Ų113137.8 Ų137.873%0.73480%0.798SS**  trans-106.3167.8-162.541.4-34.1000115.3
393L37.2Very low36.1Very low174 Ų174140.7 Ų140.791%0.91180%0.798SS**  trans-169.6145.3149.6-147.669000113.6
394A38.1Very low35.6Very low79 Ų79139.5 Ų139.565%0.65380%0.796SS**  trans93.4107.4143.400000121.9
395M37.8Very low35.2Very low186 Ų186135 Ų13592%0.91679%0.794SS**  64.5124.3117.5-63.5-70.8-130.900121.8
396A37.8Very low35.3Very low85 Ų85133.4 Ų133.470%0.70279%0.792SS**  112.4136.4123.900000120.3
397T43.3Very low35.5Very low141 Ų141134.3 Ų134.387%0.86580%0.795SS**  trans89.6116.1144.5430000121.6
398E30.2Very low35.7Very low181 Ų181134.4 Ų134.485%0.84679%0.79SS**  trans-52.2146.6162.9-71.4171114.500114
399R37.1Very low35.7Very low247 Ų247136.4 Ų136.493%0.93279%0.79SS**  trans-141.1120147.6-80.3-168.2173.8166.2-1.3111.2
400V29.1Very low35.6Very low117 Ų117139.5 Ų139.571%0.70980%0.802SS**  trans-76.9133.7164.5170.60000109.1
401V35.7Very low35.3Very low141 Ų141138.7 Ų138.786%0.85580%0.796SS**  trans-139127.7160.4178.80000109
402T30.6Very low35.1Very low102 Ų102139.1 Ų139.163%0.62680%0.798SS**  trans-107.1140.7-176.720.10000112.2
403Y25.8Very low34.6Very low229 Ų229137 Ų13790%0.89880%0.797SS**  trans43.1126.7152.7-60.7-76.6000122.8
404G31.2Very low34.5Very low82 Ų82137.8 Ų137.885%0.84580%0.801SS**  trans-154.8115.4152.200000110.8
405A30.1Very low34.4Very low94 Ų94141.6 Ų141.678%0.77781%0.81SS**  trans-132.4175.9168.100000106.7
406P40.6Very low34.5Very low115 Ų115137.9 Ų137.975%0.74780%0.8SS**  cis-128.4-148.4-35.631.3-9.5000109.9
407T37.2Very low34.7Very low131 Ų131143.7 Ų143.780%0.80481%0.809SS**  trans100.9138.3175.267.60000114.7
408S37.1Very low34.5Very low94 Ų94141.5 Ų141.566%0.65781%0.806SS**  cis-168151.6-6.6-86.10000108
409E36.1Very low34.7Very low168 Ų168139.5 Ų139.579%0.78581%0.81SS**  trans47.2128144.7-59.6-171.9173.600121.8
410L36.3Very low34.6Very low178 Ų178136.8 Ų136.893%0.93281%0.805SS**  -167.1147.1119.4-99.2164.7000112.2
411I33.4Very low35.3Very low139 Ų139141.4 Ų141.471%0.71382%0.816SS**  trans-103.6169.4-159.2-63.4164.4000110.9
412C32.1Very low35.6Very low125 Ų125140.8 Ų140.885%0.84581%0.808SS**  trans99.1118.6163.4-58.70000114.1
413G30Very low35.8Very low70 Ų70140.9 Ų140.972%0.72281%0.813SS**  cis111.4107.116.800000109.9
414L36.1Very low36.5Very low189 Ų189135.2 Ų135.299%0.9980%0.804SS**  trans-161.8128.7158.3-90.1-176.6000111.3
415N36.1Very low36.9Very low160 Ų160137.2 Ų137.286%0.85680%0.804SS**  trans-90.9167-177-125.8-27.2000111.7
416P39Very low37.3Very low107 Ų107142.7 Ų142.770%0.69580%0.804SS**  trans-98.6160.7-163.439.3-35.4000114.6
417K42.2Very low37.6Very low207 Ų207145.4 Ų145.490%0.981%0.807SS**  trans-146.3121.3163.3-78.5-170.2178.3172.20113.3
418A39Very low37.6Very low95 Ų95145.7 Ų145.779%0.78580%0.804SS**  trans16131.9142.400000121.6
419C35Very low37.9Very low140 Ų140148.4 Ų148.495%0.94682%0.816SS**  trans-143.1119.4138.7-82.20000109.6
420K34.8Very low37.9Very low190 Ų190149.5 Ų149.583%0.82682%0.818SS**  trans-85.4148.9166.7-79.3178.2171.2-177.70109.5
421F43.9Very low37.9Very low214 Ų214149 Ų14994%0.93982%0.816SS**  trans-142.8126153-141.8-92.4000109.4
422D41.1Very low38.2Very low127 Ų127146.5 Ų146.568%0.67982%0.815SS**  trans-84.5138.1-175.3-81.1-62.1000112.7
423S34.7Very low38.3Very low105 Ų105146.6 Ų146.673%0.73481%0.814SS**  32.2169124.1-54.20000121.3
424P40.2Very low38.7Very low110 Ų110151.7 Ų151.771%0.71482%0.823SS**  cis-151.5172.718.843-21.3000120.2
425C39.1Very low38.6Very low123 Ų123145.7 Ų145.783%0.83181%0.807SS**  trans59.6150.9147.5-64.30000119.8
426R39.4Very low38.5Very low209 Ų209147 Ų14779%0.78981%0.808SS**  cis-167.9152.88.3-133.1179.7170.9167.9-2.8103.9
427E46.5Very low38.2Very low172 Ų172148.4 Ų148.480%0.80482%0.819SS**  173.3149.781.5-122.2160.5-152.400110.2
428D37.7Very low38Very low138 Ų138143.7 Ų143.774%0.73881%0.812SS**  trans-73.2144.6-172.4-54.2-79.8000115.4
429V42.9Very low37.7Very low150 Ų150148.3 Ų148.391%0.90982%0.817SS**  trans-144127142.5-177.10000110.4
430K36.2Very low37.8Very low191 Ų191147.3 Ų147.383%0.8381%0.812SS**  trans-112.9125.5-171.8166.2-170.2-176.81800109.4
431L37.7Very low37.7Very low169 Ų169147.4 Ų147.489%0.88582%0.815SS**  trans-160.3100.1154.9-74.1-177.3000107.5
432A39.5Very low37.3Very low85 Ų85145.6 Ų145.670%0.70282%0.815SS**  89.4125.383.500000113.3
433P32.6Very low36.9Very low127 Ų127143.8 Ų143.883%0.82581%0.812SS**  trans-96.4142.2-17737.3-30.2000111.8
434I38.4Very low36.7Very low177 Ų177145.3 Ų145.391%0.90882%0.817SS**  trans-146.7132.7169.9-52.3175.2000104.6
435G35.2Very low36.4Very low64 Ų64142.9 Ų142.966%0.6681%0.812SS**  cis166.71429.100000104.9
436E32.8Very low36.3Very low188 Ų188145.7 Ų145.788%0.87981%0.813SS**  trans-60.6144.5-175.1-60.8163.4135.200112.1
437C33.5Very low36.2Very low136 Ų136142.5 Ų142.592%0.91981%0.811SS**  trans-128.6105.2157.6-93.90000108.3
438S38.5Very low35.9Very low107 Ų107138.4 Ų138.475%0.74880%0.802SS**  trans-67144.5179.7-46.10000112.6
439E31.9Very low36Very low193 Ų193139.6 Ų139.690%0.90281%0.807SS**  trans-61.3139.9161-62.3175.6120.700110
440S37.4Very low35.9Very low119 Ų119136.9 Ų136.983%0.83280%0.795SS**  trans-125.699163.944.40000108.9
441E33.1Very low36Very low192 Ų192135 Ų13590%0.89779%0.794SS**  trans-68136.8152.6-61.6-168.1116.600108.3
442L34.9Very low36.4Very low176 Ų176132 Ų13292%0.92179%0.787SS**  trans-139.5135.7157.8-149.189.3000110.4
443S32Very low36.4Very low88 Ų88132.2 Ų132.262%0.61579%0.788SS**  trans-113.6156.3-158.254.40000112
444T31.3Very low36.8Very low137 Ų137131.5 Ų131.584%0.8479%0.786SS**  trans47139.6136.9500000123.1
445G33.3Very low37.1Very low59 Ų59127.6 Ų127.661%0.60878%0.775SS**  trans145.599.7153.900000111.5
446E38.3Very low37.2Very low183 Ų183131.2 Ų131.286%0.85578%0.784SS**  66.2131.687.8-61.8173.3173.400110.9
447D36.2Very low37.5Very low141 Ų141125.1 Ų125.175%0.75477%0.772SS**  cis-174.5165.622.6-129.3-22.2000110.7
448S39.8Very low37.8Very low87 Ų87124.5 Ų124.561%0.60877%0.77SS**  trans81.6115.3146.3-64.60000124.4
449L40.5Very low37.8Very low162 Ų162128.9 Ų128.985%0.84878%0.775SS**  61.3139.7127.9-59.9166.9000118.7
450S40.2Very low38.7Very low93 Ų93125.9 Ų125.965%0.6577%0.77SS**  cis-176.8153.81341.80000108.4
451D39.8Very low39.3Very low153 Ų153129.1 Ų129.182%0.81877%0.772SS**  trans57.7141.6152.4-66.8-17.6000119.8
452S44.4Very low39.9Very low106 Ų106125.7 Ų125.774%0.74176%0.764SS**  cis-173.9159.43.342.70000108.7
453A40.6Very low40.1Very low88 Ų88123.3 Ų123.373%0.72775%0.752SS**  trans66.1103.2147.100000121.9
454S41Very low40.6Very low112 Ų112130.2 Ų130.278%0.78376%0.764SS**  101.413411387.70000121.1
455S45.1Very low41.1Very low95 Ų95133.5 Ų133.566%0.66476%0.761SS**  trans98.4100.3145.288.60000118.1
456T36.4Very low41.6Very low140 Ų140139.7 Ų139.786%0.85977%0.774SS**  56.1107.6126.956.40000118.4
457G40.4Very low41.9Very low61 Ų61136 Ų13663%0.62976%0.764SS**  trans-178.2105.6161.700000111.6F459G457-F459 WeakPolarHBondContact O-CD2 3.31Å; G457-F459 PolarHBondContact O-N 3.24Å
458S38.2Very low42.2Very low123 Ų123138.5 Ų138.586%0.8677%0.769SS**  trans-43.7123.1-179.7540000114.8
459F39.4Very low42Very low198 Ų198139 Ų13987%0.86878%0.778SS**  trans-121.4133.2163.2-85.3-87.3000111.1G457G457-F459 WeakPolarHBondContact O-CD2 3.31Å; G457-F459 PolarHBondContact O-N 3.24Å
460V51.3Low42Very low130 Ų130136.1 Ų136.179%0.78878%0.777SS**  trans-64.7125.4-176.4175.80000110.1V462V460-V462 PolarHBondContact O-N 3.49Å
461H48.5Very low41.9Very low187 Ų187137.8 Ų137.887%0.86679%0.789SS**  trans-66.5108.3166.5-97.1-124.5000109
462V47.2Very low42Very low121 Ų121134.3 Ų134.373%0.73378%0.777SS**  trans-86.6109165.4177.80000107.4V460 R464V460-V462 PolarHBondContact O-N 3.49Å; V462-R464 PolarHBondContact O-N 3.34Å
463D39.4Very low42.3Very low125 Ų125135.6 Ų135.667%0.66879%0.786SS**  trans-61.4102.6177.5-164.38.2000110R465D463-R465 PolarHBondContact O-N 3.19Å; D463-R465 IonicContact OD2-NE 3.63Å
464R40.7Very low42.9Very low233 Ų233134.6 Ų134.688%0.87978%0.777SS**  trans-88.378.9168.8-81.2-174.8165.5172.4-3.2108.5V462 Q466V462-R464 PolarHBondContact O-N 3.34Å; R464-Q466 PolarHBondContact O-N 3.26Å
465R42.2Very low43.6Very low206 Ų206132.9 Ų132.978%0.77777%0.766SS**  trans-63.4101.9161.9-78.8-175.8177.7-177-3.9108.8D463 V467D463-R465 PolarHBondContact O-N 3.19Å; D463-R465 IonicContact OD2-NE 3.63Å; R465-V467 PolarHBondContact O-N 3.48Å; R465-V467 VanDerWaalsContact O-N 3.12Å
466Q44.6Very low44.4Very low189 Ų189134 Ų13488%0.88376%0.764SS**  trans-65.6103.9160.4-82.5-179.6-28.300108.2R464R464-Q466 PolarHBondContact O-N 3.26Å
467V44.8Very low45.7Very low105 Ų105133.9 Ų133.964%0.63676%0.757SS**  trans-73.1125.6163.7-1630000106R465R465-V467 PolarHBondContact O-N 3.48Å; R465-V467 VanDerWaalsContact O-N 3.12Å
468F40.8Very low47.1Very low195 Ų195132.7 Ų132.786%0.85575%0.745SS**SBendtrans77.184.3177.3-42.5-71.8000117.3
469A35.6Very low48.5Very low98 Ų98128.6 Ų128.681%0.8172%0.719SS**  164.688128.800000110.5
470A40.9Very low49.8Very low100 Ų100124.6 Ų124.683%0.82670%0.701SS**  trans-89.1119.9160.100000108.7S472A470-S472 PolarHBondContact O-N 2.98Å; A470-S472 VanDerWaalsContact O-N 3.08Å
471S38.9Very low50.5Low128 Ų128123.3 Ų123.390%0.89568%0.683SS**  trans-6396.6173.538.60000111.7
472S41.8Very low51.6Low81 Ų81122.4 Ų122.457%0.56667%0.672SS**  trans-150.697155.473.10000110.9A470 A474A470-S472 PolarHBondContact O-N 2.98Å; A470-S472 VanDerWaalsContact O-N 3.08Å; S472-A474 VanDerWaalsContact C-N 3.31Å; S472-A474 PolarHBondContact O-N 3.04Å
473S50.4Low52.7Low133 Ų133123.1 Ų123.193%0.9367%0.667SS**THydrogen-bonded Turntrans-8628.3-167.649.30000115.3
474A52.7Low53.8Low66 Ų66124.1 Ų124.155%0.54567%0.666SS.*THydrogen-bonded Turntrans-132.8-20.2-173.900000115.6S472S472-A474 VanDerWaalsContact C-N 3.31Å; S472-A474 PolarHBondContact O-N 3.04Å
475S56.3Low54.9Low77 Ų77119.8 Ų119.854%0.53865%0.65SS.*SBendtrans-88.3-18.8-179.443.50000113.6A479S475-A479 PolarHBondContact O-N 3.2Å
476D62.9Low56.1Low118 Ų118115.1 Ų115.163%0.63164%0.644SS**Hα-helixtrans-77.6-32.4-171-157.716.5000113.2G478 A479 F480D476-G478 VanDerWaalsContact C-N 3.33Å; D476-G478 PolarHBondContact O-N 2.9Å; D476-A479 PolarHBondContact O-N 3.46Å; D476-F480 WeakPolarHBondContact O-CB 3.38Å; D476-F480 PolarHBondContact O-N 3.21Å
477L63.3Low56.8Low137 Ų137109 Ų10972%0.71763%0.626SS**Hα-helixtrans-66.9-35.5-180-158.876.9000112.3Y481L477-Y481 WeakPolarHBondContact O-CB 3.29Å; L477-Y481 PolarHBondContact O-N 2.96Å
478G69.7Low56.9Low36 Ų36109.1 Ų109.137%0.37163%0.629SS.*Hα-helixtrans-74.1-30.3175.300000113D476 R482D476-G478 VanDerWaalsContact C-N 3.33Å; D476-G478 PolarHBondContact O-N 2.9Å; G478-R482 WeakPolarHBondContact O-CG 3.45Å; G478-R482 PolarHBondContact O-N 2.93Å; G478-R482 PolarHBondContact O-NE 3.48Å
479A67Low57.6Low38 Ų38102.6 Ų102.631%0.31461%0.611SS.*Hα-helixtrans-68.2-50.117100000110.6S475 D476 Y481 R482 E483S475-A479 PolarHBondContact O-N 3.2Å; D476-A479 PolarHBondContact O-N 3.46Å; A479-Y481 VanDerWaalsContact C-N 3.32Å; A479-Y481 PolarHBondContact O-N 3.38Å; A479-R482 PolarHBondContact O-N 3.14Å; A479-E483 WeakPolarHBondContact O-CB 3.26Å; A479-E483 PolarHBondContact O-N 3.11Å
480F67.2Low57.7Low113 Ų113101.3 Ų101.350%0.49660%0.595SS.*Hα-helixtrans-53.8-45.3173.8177.2-97.6000112.5D476 R482 E483 F484D476-F480 WeakPolarHBondContact O-CB 3.38Å; D476-F480 PolarHBondContact O-N 3.21Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 3.31Å; F480-E483 PolarHBondContact O-N 2.94Å; F480-F484 HydrophobicContact CZ-CD2 4.25Å; F480-F484 VanDerWaalsContact O-CB 3.26Å; F480-F484 WeakPolarHBondContact O-CB 3.47Å; F480-F484 PolarHBondContact O-N 3.05Å
481Y66.6Low58Low103 Ų103103.2 Ų103.240%0.40459%0.591SS.*Hα-helixtrans-68.1-30.2179.7-144.4-88.4000113.1L477 A479 R485L477-Y481 WeakPolarHBondContact O-CB 3.29Å; L477-Y481 PolarHBondContact O-N 2.96Å; A479-Y481 VanDerWaalsContact C-N 3.32Å; A479-Y481 PolarHBondContact O-N 3.38Å; Y481-R485 WeakPolarHBondContact O-CG 3.31Å; Y481-R485 PolarHBondContact O-N 3.47Å
482R71Confident58.2Low169 Ų169102.2 Ų102.264%0.63858%0.575SS**Hα-helixtrans-74.2-44.3173.5-78-178.3-69-149.21.7111.3G478 A479 F480 F484 R485 T486G478-R482 WeakPolarHBondContact O-CG 3.45Å; G478-R482 PolarHBondContact O-N 2.93Å; G478-R482 PolarHBondContact O-NE 3.48Å; A479-R482 PolarHBondContact O-N 3.14Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 3.31Å; R482-F484 VanDerWaalsContact C-N 3.33Å; R482-F484 PolarHBondContact O-N 3.08Å; R482-R485 WeakPolarHBondContact O-CA 3.4Å; R482-R485 WeakPolarHBondContact O-CB 3.5Å; R482-R485 PolarHBondContact O-N 3.3Å; R482-R485 VanDerWaalsContact O-N 3.08Å; R482-T486 PolarHBondContact O-N 3.2Å; R482-T486 PolarHBondContact O-OG1 3.42Å; R482-T486 VanDerWaalsContact O-OG1 3.1Å
483E69.4Low58.5Low135 Ų135102.7 Ų102.763%0.63158%0.579SS**Hα-helixtrans-62.3-41.2177-169.3175.1-176.500111.4A479 F480 R485 T486 A487A479-E483 WeakPolarHBondContact O-CB 3.26Å; A479-E483 PolarHBondContact O-N 3.11Å; F480-E483 PolarHBondContact O-N 2.94Å; E483-R485 VanDerWaalsContact C-N 3.28Å; E483-R485 PolarHBondContact O-N 3.12Å; E483-T486 WeakPolarHBondContact CA-OG1 3.33Å; E483-T486 CarbonylContact O-C 3.46Å; E483-T486 PolarHBondContact O-N 3.24Å; E483-T486 VanDerWaalsContact O-N 3.14Å; E483-T486 PolarHBondContact O-OG1 3.32Å; E483-A487 PolarHBondContact O-N 3.35Å
484F63Low58.4Low147 Ų147105 Ų10565%0.64557%0.573SS**Hα-helixtrans-65.2-30.2173.9-159.9-91.9000112.8F480 R482F480-F484 HydrophobicContact CZ-CD2 4.25Å; F480-F484 VanDerWaalsContact O-CB 3.26Å; F480-F484 WeakPolarHBondContact O-CB 3.47Å; F480-F484 PolarHBondContact O-N 3.05Å; R482-F484 VanDerWaalsContact C-N 3.33Å; R482-F484 PolarHBondContact O-N 3.08Å
485R63.9Low58.3Low141 Ų141106.8 Ų106.853%0.53258%0.577SS.*Hα-helixtrans-74.8-26.8173.2-83-176.5167.2-162.3-3.2113.1Y481 R482 E483Y481-R485 WeakPolarHBondContact O-CG 3.31Å; Y481-R485 PolarHBondContact O-N 3.47Å; R482-R485 WeakPolarHBondContact O-CA 3.4Å; R482-R485 WeakPolarHBondContact O-CB 3.5Å; R482-R485 PolarHBondContact O-N 3.3Å; R482-R485 VanDerWaalsContact O-N 3.08Å; E483-R485 VanDerWaalsContact C-N 3.28Å; E483-R485 PolarHBondContact O-N 3.12Å
486T68.2Low57.6Low109 Ų109106.6 Ų106.667%0.66959%0.587SS**Hα-helixtrans-101-4.7-179.653.40000113.6R482 E483R482-T486 PolarHBondContact O-N 3.2Å; R482-T486 PolarHBondContact O-OG1 3.42Å; R482-T486 VanDerWaalsContact O-OG1 3.1Å; E483-T486 WeakPolarHBondContact CA-OG1 3.33Å; E483-T486 CarbonylContact O-C 3.46Å; E483-T486 PolarHBondContact O-N 3.24Å; E483-T486 VanDerWaalsContact O-N 3.14Å; E483-T486 PolarHBondContact O-OG1 3.32Å
487A57.5Low56.7Low61 Ų61103.8 Ų103.850%0.50459%0.586SS.*SBendtrans-58.4123.7178.400000109.4E483 A489E483-A487 PolarHBondContact O-N 3.35Å; A487-A489 PolarHBondContact O-N 3.22Å
488P47.5Very low55.9Low107 Ų107102.8 Ų102.870%0.69559%0.588SS**  trans-60.1141.1-179.320.2-28.2000110.3C490P488-C490 VanDerWaalsContact CB-SG 3.58Å; P488-C490 PolarHBondContact O-N 3.31Å; P488-C490 PolarHBondContact O-SG 3.03Å
489A55.2Low55Low58 Ų58106.6 Ų106.648%0.47961%0.606SS.*SBendtrans-6820.1-173.700000114.8N238 A487 L491N238-A489 PolarHBondContact ND2-O 3.29Å; A487-A489 PolarHBondContact O-N 3.22Å; A489-L491 PolarHBondContact O-N 3.01Å; A489-L491 VanDerWaalsContact O-N 3.15Å
490C39.1Very low53.9Low70 Ų70114.9 Ų114.947%0.47364%0.635SS.*  trans-89.777.3-170.646.50000111.5P488P488-C490 VanDerWaalsContact CB-SG 3.58Å; P488-C490 PolarHBondContact O-N 3.31Å; P488-C490 PolarHBondContact O-SG 3.03Å
491L45.9Very low52.7Low141 Ų141118.4 Ų118.474%0.73865%0.653SS**  trans-92.62.5159.1-105.8162.8000112.7A489A489-L491 PolarHBondContact O-N 3.01Å; A489-L491 VanDerWaalsContact O-N 3.15Å
492D44.6Very low51.6Low106 Ų106121.6 Ų121.657%0.56768%0.676SS**G310 helixtrans-82.7-11.6176.3-69.5-26000113.5F494 T495D492-F494 PolarHBondContact O-N 3.45Å; D492-T495 PolarHBondContact O-N 3.3Å; D492-T495 PolarHBondContact O-OG1 3.27Å
493S46.3Very low50.1Low91 Ų91117.3 Ų117.364%0.63669%0.685SS**G310 helixtrans-73.1-7.9-179.9-45.70000113.7
494F48.1Very low48.5Very low183 Ų183115.6 Ų115.680%0.80369%0.688SS**G310 helixtrans-106-1.4179.3-73.2-78.3000114.2D492D492-F494 PolarHBondContact O-N 3.45Å
495T51.6Low47.5Very low103 Ų103116.4 Ų116.463%0.63270%0.699SS**SBendtrans-95.62.6-178.845.30000114.2D492D492-T495 PolarHBondContact O-N 3.3Å; D492-T495 PolarHBondContact O-OG1 3.27Å
496G40.6Very low46.7Very low73 Ų73116.2 Ų116.275%0.75371%0.713SS**SBendtrans-110.45.4-175.200000117
497G44.6Very low45.4Very low59 Ų59120.7 Ų120.761%0.60872%0.723SS**SBendtrans-88.6140.1-179.800000112.8
498P47.4Very low44.5Very low116 Ų116122.4 Ų122.475%0.75374%0.737SS**PPolyproline II helixtrans-60.6138.8173.925.7-32.1000110.1F500P498-F500 PolarHBondContact O-N 3.22Å
499P50Low43.9Very low116 Ų116123 Ų12375%0.75374%0.741SS**PPolyproline II helixtrans-66.1126.4-177.826.1-31.1000110.1E501P499-E501 PolarHBondContact O-N 3.37Å; P499-E501 VanDerWaalsContact O-N 3.13Å
500F44.9Very low43.3Very low212 Ų212127.6 Ų127.693%0.9376%0.757SS**  trans-67.9103.3167.7-107.7-96.9000108.5P498 L502P498-F500 PolarHBondContact O-N 3.22Å; F500-L502 PolarHBondContact O-N 2.78Å
501E41.2Very low43.2Very low186 Ų186130.7 Ų130.787%0.86977%0.774SS**  trans-75.3106.6169.4-70-148.7151.400109.9P499P499-E501 PolarHBondContact O-N 3.37Å; P499-E501 VanDerWaalsContact O-N 3.13Å
502L44.6Very low42.8Very low170 Ų170127.8 Ų127.889%0.8978%0.778SS**  trans-101.693.6166.3-162.372000108F500 S504F500-L502 PolarHBondContact O-N 2.78Å; L502-S504 PolarHBondContact O-N 3.4Å
503G38.4Very low42.4Very low80 Ų80127.7 Ų127.783%0.82579%0.792SS**  trans-72.3117.7-178.800000112.7
504S36.7Very low42.3Very low98 Ų98128.9 Ų128.969%0.68580%0.8SS**  trans-117.3112.2154.657.30000107.5L502L502-S504 PolarHBondContact O-N 3.4Å
505D40.4Very low42.4Very low165 Ų165125.4 Ų125.488%0.88280%0.799SS**  177.8133126.4-86.2-26.7000112.5
506V47.6Very low42.2Very low137 Ų137127.4 Ų127.483%0.8381%0.811SS**  trans-87.5141.2177.4168.50000109.4
507K40.4Very low43.8Very low202 Ų202128.8 Ų128.888%0.87880%0.798SS**  trans81.988.6167.1-85.4172.2170.81760117.7
508A39.9Very low45.5Very low97 Ų97129.3 Ų129.380%0.80279%0.792SS**  -177140.4106.800000110.4
509P34.7Very low47.1Very low119 Ų119129.6 Ų129.677%0.77379%0.786SS**  trans-90.2146.2-177.234.9-29.4000110.9
510L41.8Very low48.7Very low156 Ų156130.9 Ų130.982%0.81778%0.782SS**  trans176.9116.5131.8-90.1161.2000111.2
511T37.6Very low50.6Low134 Ų134122.9 Ų122.982%0.82276%0.755SS**  trans62.1102141.259.30000120
512G37.5Very low52.5Low81 Ų81119.4 Ų119.484%0.83574%0.739SS**  trans173.9103.616000000111.6
513A36.6Very low54.4Low103 Ų103116.7 Ų116.785%0.85173%0.725SS**  trans-71.2125.6-174.600000113.1
514S44.5Very low56.6Low117 Ų117117.9 Ų117.982%0.81871%0.712SS**  174.1136.4129.746.10000111.2
515S50.1Low58.9Low110 Ų110120.3 Ų120.377%0.76971%0.706SS**  trans69.472.9164.2-1770000118.6
516T47.8Very low61.1Low144 Ų144119.2 Ų119.288%0.88369%0.694SS**  trans-100.589149.256.70000108.6S518T516-S518 PolarHBondContact O-N 3.04Å
517E73Confident63Low102 Ų102116.2 Ų116.248%0.47768%0.679SS.*  trans-60.6131.5159.2-78.5-172.8161.200107.6R525E517-R525 IonicContact OE2-NH1 3.85Å
518S81.1Confident65.1Low70 Ų70113.4 Ų113.449%0.4967%0.669SS.*  trans-55.3141.5176.5176.80000109.8T516 E520 A521 Q522T516-S518 PolarHBondContact O-N 3.04Å; S518-E520 PolarHBondContact O-N 3.3Å; S518-E520 VanDerWaalsContact O-N 3.09Å; S518-E520 PolarHBondContact OG-N 2.99Å; S518-A521 WeakPolarHBondContact O-CA 3.49Å; S518-A521 VanDerWaalsContact O-CB 3.29Å; S518-A521 WeakPolarHBondContact O-CB 3.44Å; S518-A521 PolarHBondContact O-N 2.89Å; S518-Q522 PolarHBondContact O-N 3.13Å; S518-Q522 VanDerWaalsContact O-N 3.14Å
519I80.1Confident67.4Low123 Ų123113.6 Ų113.663%0.63165%0.654SS**Hα-helixtrans-51.9-32.9173.1-72.4168000110.8A521 Q522 L523I519-A521 PolarHBondContact O-N 3.45Å; I519-Q522 PolarHBondContact O-N 3.09Å; I519-L523 HydrophobicContact CG2-CD1 3.95Å; I519-L523 HydrophobicContact CG2-CG 4.34Å; I519-L523 WeakPolarHBondContact O-CB 3.49Å; I519-L523 WeakPolarHBondContact O-CG 3.4Å; I519-L523 PolarHBondContact O-N 3.01Å
520E84Confident70Confident143 Ų143113.1 Ų113.167%0.66864%0.642SS**Hα-helixtrans-62.9-37.5172.4-82.5178.6144.200113.3S518 L523 N524S518-E520 PolarHBondContact O-N 3.3Å; S518-E520 VanDerWaalsContact O-N 3.09Å; S518-E520 PolarHBondContact OG-N 2.99Å; E520-L523 PolarHBondContact O-N 3.39Å; E520-N524 WeakPolarHBondContact O-CB 3.48Å; E520-N524 PolarHBondContact O-N 2.96Å
521A85.4Confident72Confident44 Ų44109.2 Ų109.236%0.36463%0.627SS.*Hα-helixtrans-68.4-39.1176.400000111S518 I519 N524 R525S518-A521 WeakPolarHBondContact O-CA 3.49Å; S518-A521 VanDerWaalsContact O-CB 3.29Å; S518-A521 WeakPolarHBondContact O-CB 3.44Å; S518-A521 PolarHBondContact O-N 2.89Å; I519-A521 PolarHBondContact O-N 3.45Å; A521-N524 PolarHBondContact O-N 3.2Å; A521-R525 WeakPolarHBondContact O-CB 3.5Å; A521-R525 PolarHBondContact O-N 2.69Å
522Q81Confident74.4Confident112 Ų112106.1 Ų106.152%0.52361%0.612SS.*Hα-helixtrans-65.9-42.6174.5-68.5-175.8-25.100112S518 I519 R525 F526S518-Q522 PolarHBondContact O-N 3.13Å; S518-Q522 VanDerWaalsContact O-N 3.14Å; I519-Q522 PolarHBondContact O-N 3.09Å; Q522-R525 WeakPolarHBondContact O-CB 3.38Å; Q522-R525 PolarHBondContact O-N 2.94Å; Q522-F526 PolarHBondContact O-N 3.21Å
523L84.4Confident76.8Confident113 Ų113107.9 Ų107.959%0.59260%0.596SS**Hα-helixtrans-64.9-41.8176.1-74.3171.1000112.1I519 E520 R525 F526 S527I519-L523 HydrophobicContact CG2-CD1 3.95Å; I519-L523 HydrophobicContact CG2-CG 4.34Å; I519-L523 WeakPolarHBondContact O-CB 3.49Å; I519-L523 WeakPolarHBondContact O-CG 3.4Å; I519-L523 PolarHBondContact O-N 3.01Å; E520-L523 PolarHBondContact O-N 3.39Å; L523-R525 VanDerWaalsContact C-N 3.3Å; L523-R525 PolarHBondContact O-N 2.97Å; L523-F526 PolarHBondContact O-N 3.28Å; L523-S527 PolarHBondContact O-N 3.18Å
524N85.2Confident79.4Confident105 Ų105106.8 Ų106.856%0.56158%0.576SS**Hα-helixtrans-62.8-37.8174.2-86-24.5000112.1E520 A521 S527 Q528E520-N524 WeakPolarHBondContact O-CB 3.48Å; E520-N524 PolarHBondContact O-N 2.96Å; A521-N524 PolarHBondContact O-N 3.2Å; N524-S527 PolarHBondContact O-N 3.25Å; N524-Q528 WeakPolarHBondContact O-CG 3.29Å; N524-Q528 PolarHBondContact O-N 3.43Å
525R84.7Confident81.5Confident150 Ų150105.6 Ų105.657%0.56656%0.564SS**Hα-helixtrans-66.3-39.2176.1-161.1176.7-169.3163.81.5112E517 A521 Q522 L523 Q528 M529E517-R525 IonicContact OE2-NH1 3.85Å; A521-R525 WeakPolarHBondContact O-CB 3.5Å; A521-R525 PolarHBondContact O-N 2.69Å; Q522-R525 WeakPolarHBondContact O-CB 3.38Å; Q522-R525 PolarHBondContact O-N 2.94Å; L523-R525 VanDerWaalsContact C-N 3.3Å; L523-R525 PolarHBondContact O-N 2.97Å; R525-Q528 PolarHBondContact O-N 2.99Å; R525-M529 PolarHBondContact O-N 3.41Å; R525-M529 VanDerWaalsContact O-N 3.11Å
526F85.1Confident83.4Confident142 Ų142105.9 Ų105.962%0.62355%0.552SS**Hα-helixtrans-66.9-42.6175.4-160.9-91.5000111.7Q522 L523 Q528 M529 Q530Q522-F526 PolarHBondContact O-N 3.21Å; L523-F526 PolarHBondContact O-N 3.28Å; F526-Q528 VanDerWaalsContact C-N 3.29Å; F526-Q528 PolarHBondContact O-N 3.23Å; F526-M529 PolarHBondContact O-N 3.37Å; F526-M529 VanDerWaalsContact O-N 3.13Å; F526-Q530 PolarHBondContact O-N 3.07Å
527S88.1Confident85.4Confident73 Ų73102.4 Ų102.451%0.5153%0.527SS..Hα-helixtrans-62.4-34.8176.1-172.80000112.4L523 N524L523-S527 PolarHBondContact O-N 3.18Å; N524-S527 PolarHBondContact O-N 3.25Å
528Q84.6Confident86.2Confident143 Ų143104.3 Ų104.367%0.66854%0.536SS*.Hα-helixtrans-70.8-33.5173-73.5176.821.100113.5N524 R525 F526 Q530 S531N524-Q528 WeakPolarHBondContact O-CG 3.29Å; N524-Q528 PolarHBondContact O-N 3.43Å; R525-Q528 PolarHBondContact O-N 2.99Å; F526-Q528 VanDerWaalsContact C-N 3.29Å; F526-Q528 PolarHBondContact O-N 3.23Å; Q528-Q530 VanDerWaalsContact C-N 3.34Å; Q528-S531 PolarHBondContact O-OG 3.44Å; Q528-S531 VanDerWaalsContact O-OG 3.08Å
529M88.4Confident86.6Confident102 Ų102103.9 Ų103.950%0.50253%0.533SS..Hα-helixtrans-72.8-27.8175.6-94.7-176-6300112.8R525 F526 S531 S532 F533R525-M529 PolarHBondContact O-N 3.41Å; R525-M529 VanDerWaalsContact O-N 3.11Å; F526-M529 PolarHBondContact O-N 3.37Å; F526-M529 VanDerWaalsContact O-N 3.13Å; M529-S531 VanDerWaalsContact C-N 3.34Å; M529-S531 PolarHBondContact O-N 3.35Å; M529-S532 PolarHBondContact O-N 3.11Å; M529-S532 VanDerWaalsContact O-N 3.16Å; M529-S532 PolarHBondContact O-OG 3.16Å; M529-F533 PolarHBondContact O-N 3.43Å
530Q88.9Confident86.9Confident109 Ų109102 Ų10251%0.50952%0.524SS..Hα-helixtrans-59.1-43.8-179.5-171.1173.3-0.500112.1F526 Q528 S532 F533 D534F526-Q530 PolarHBondContact O-N 3.07Å; Q528-Q530 VanDerWaalsContact C-N 3.34Å; Q530-S532 VanDerWaalsContact C-N 3.34Å; Q530-S532 PolarHBondContact O-N 3.13Å; Q530-F533 PolarHBondContact O-N 3.08Å; Q530-D534 PolarHBondContact O-N 3.46Å
531S84Confident87.1Confident73 Ų73102.1 Ų102.151%0.5152%0.522SS..Hα-helixtrans-64.7-37.9176.859.10000112.6Q528 M529 F533 D534 T535Q528-S531 PolarHBondContact O-OG 3.44Å; Q528-S531 VanDerWaalsContact O-OG 3.08Å; M529-S531 VanDerWaalsContact C-N 3.34Å; M529-S531 PolarHBondContact O-N 3.35Å; S531-F533 VanDerWaalsContact C-N 3.29Å; S531-F533 PolarHBondContact O-N 3.4Å; S531-D534 PolarHBondContact O-N 3.31Å; S531-T535 PolarHBondContact O-N 3.5Å; S531-T535 PolarHBondContact O-OG1 2.89Å
532S87.9Confident86.9Confident70 Ų70102.7 Ų102.749%0.4953%0.527SS..Hα-helixtrans-65-34.9175.8750000112.4M529 Q530 F536M529-S532 PolarHBondContact O-N 3.11Å; M529-S532 VanDerWaalsContact O-N 3.16Å; M529-S532 PolarHBondContact O-OG 3.16Å; Q530-S532 VanDerWaalsContact C-N 3.34Å; Q530-S532 PolarHBondContact O-N 3.13Å; S532-F536 WeakPolarHBondContact O-CB 3.39Å; S532-F536 PolarHBondContact O-N 3.43Å; S532-F536 VanDerWaalsContact O-N 3.09Å
533F88.2Confident86.8Confident118 Ų118102 Ų10252%0.51853%0.527SS..Hα-helixtrans-72.2-41177.1-174.8-103.1000111.5M529 Q530 S531 F536 L537M529-F533 PolarHBondContact O-N 3.43Å; Q530-F533 PolarHBondContact O-N 3.08Å; S531-F533 VanDerWaalsContact C-N 3.29Å; S531-F533 PolarHBondContact O-N 3.4Å; F533-F536 WeakPolarHBondContact O-CB 3.37Å; F533-F536 PolarHBondContact O-N 2.94Å; F533-L537 HydrophobicContact CD1-CD1 3.93Å; F533-L537 HydrophobicContact CD1-CG 4.34Å; F533-L537 HydrophobicContact CE1-CD1 3.49Å; F533-L537 VanDerWaalsContact CE1-CD1 3.49Å; F533-L537 HydrophobicContact CE1-CG 4.02Å; F533-L537 HydrophobicContact CZ-CD1 4.11Å; F533-L537 HydrophobicContact CZ-CD2 4.35Å; F533-L537 HydrophobicContact CZ-CG 4.25Å; F533-L537 PolarHBondContact O-N 3.39Å
534D90Very high86.4Confident79 Ų79103.8 Ų103.842%0.42253%0.532SS..Hα-helixtrans-64-41.4175.6-68.2-27000111.4Q530 S531 F536 L537 E538Q530-D534 PolarHBondContact O-N 3.46Å; S531-D534 PolarHBondContact O-N 3.31Å; D534-F536 VanDerWaalsContact C-N 3.32Å; D534-F536 PolarHBondContact O-N 3.48Å; D534-L537 PolarHBondContact O-N 3.28Å; D534-E538 PolarHBondContact O-N 3.02Å
535T90.2Very high85.9Confident92 Ų92106.2 Ų106.256%0.56454%0.54SS*.Hα-helixtrans-61.7-38.7173-56.10000112.2S531 E538 S539S531-T535 PolarHBondContact O-N 3.5Å; S531-T535 PolarHBondContact O-OG1 2.89Å; T535-E538 PolarHBondContact O-N 3.43Å; T535-S539 PolarHBondContact O-N 3Å
536F90.3Very high85.3Confident117 Ų117107.2 Ų107.251%0.51355%0.552SS.*Hα-helixtrans-65.3-41175.6173.8-104.2000112.1S532 F533 D534 S539 L540S532-F536 WeakPolarHBondContact O-CB 3.39Å; S532-F536 PolarHBondContact O-N 3.43Å; S532-F536 VanDerWaalsContact O-N 3.09Å; F533-F536 WeakPolarHBondContact O-CB 3.37Å; F533-F536 PolarHBondContact O-N 2.94Å; D534-F536 VanDerWaalsContact C-N 3.32Å; D534-F536 PolarHBondContact O-N 3.48Å; F536-S539 WeakPolarHBondContact O-CB 3.46Å; F536-S539 PolarHBondContact O-N 2.98Å; F536-L540 HydrophobicContact CD1-CD1 4.1Å; F536-L540 HydrophobicContact CE1-CD1 3.47Å; F536-L540 VanDerWaalsContact CE1-CD1 3.47Å; F536-L540 HydrophobicContact CE1-CG 4.28Å; F536-L540 HydrophobicContact CE2-CD1 4.38Å; F536-L540 HydrophobicContact CE2-CG 4.38Å; F536-L540 HydrophobicContact CZ-CD1 3.64Å; F536-L540 HydrophobicContact CZ-CD2 4.39Å; F536-L540 HydrophobicContact CZ-CG 4.1Å; F536-L540 PolarHBondContact O-N 3.27Å
537L89.7Confident84.4Confident71 Ų71109.3 Ų109.337%0.37256%0.563SS.*Hα-helixtrans-66.3-35175-72.5179.8000112.8F533 D534 K541F533-L537 HydrophobicContact CD1-CD1 3.93Å; F533-L537 HydrophobicContact CD1-CG 4.34Å; F533-L537 HydrophobicContact CE1-CD1 3.49Å; F533-L537 VanDerWaalsContact CE1-CD1 3.49Å; F533-L537 HydrophobicContact CE1-CG 4.02Å; F533-L537 HydrophobicContact CZ-CD1 4.11Å; F533-L537 HydrophobicContact CZ-CD2 4.35Å; F533-L537 HydrophobicContact CZ-CG 4.25Å; F533-L537 PolarHBondContact O-N 3.39Å; D534-L537 PolarHBondContact O-N 3.28Å; L537-K541 WeakPolarHBondContact O-CG 3.35Å; L537-K541 PolarHBondContact O-N 3.43Å
538E89.8Confident83Confident141 Ų141116.5 Ų116.566%0.65959%0.591SS**Hα-helixtrans-67.9-39172.5-76.2-172.9164.900112D534 T535 L540 K541 A542D534-E538 PolarHBondContact O-N 3.02Å; T535-E538 PolarHBondContact O-N 3.43Å; E538-L540 PolarHBondContact O-N 3.44Å; E538-K541 PolarHBondContact O-N 3.35Å; E538-A542 PolarHBondContact O-N 3.09Å
539S89.5Confident82.9Confident62 Ų62115.2 Ų115.243%0.43459%0.587SS.*Hα-helixtrans-60.3-44174.3-171.90000111.9T535 F536 K541 A542 D543T535-S539 PolarHBondContact O-N 3Å; F536-S539 WeakPolarHBondContact O-CB 3.46Å; F536-S539 PolarHBondContact O-N 2.98Å; S539-K541 VanDerWaalsContact C-N 3.26Å; S539-K541 PolarHBondContact O-N 3.37Å; S539-A542 PolarHBondContact O-N 2.92Å; S539-D543 PolarHBondContact O-N 3.06Å
540L86.3Confident82.6Confident83 Ų83115.8 Ų115.844%0.43559%0.592SS.*Hα-helixtrans-64.4-30.9178-74.5174.9000113F536 E538F536-L540 HydrophobicContact CD1-CD1 4.1Å; F536-L540 HydrophobicContact CE1-CD1 3.47Å; F536-L540 VanDerWaalsContact CE1-CD1 3.47Å; F536-L540 HydrophobicContact CE1-CG 4.28Å; F536-L540 HydrophobicContact CE2-CD1 4.38Å; F536-L540 HydrophobicContact CE2-CG 4.38Å; F536-L540 HydrophobicContact CZ-CD1 3.64Å; F536-L540 HydrophobicContact CZ-CD2 4.39Å; F536-L540 HydrophobicContact CZ-CG 4.1Å; F536-L540 PolarHBondContact O-N 3.27Å; E538-L540 PolarHBondContact O-N 3.44Å
541K86.7Confident82.3Confident145 Ų145116.2 Ų116.263%0.6360%0.597SS**Hα-helixtrans-75.5-33.9175.6-73.9177.7-179.2176.20112.6L537 E538 S539 D543 E544L537-K541 WeakPolarHBondContact O-CG 3.35Å; L537-K541 PolarHBondContact O-N 3.43Å; E538-K541 PolarHBondContact O-N 3.35Å; S539-K541 VanDerWaalsContact C-N 3.26Å; S539-K541 PolarHBondContact O-N 3.37Å; K541-D543 VanDerWaalsContact C-N 3.33Å; K541-E544 PolarHBondContact O-N 2.79Å
542A82.7Confident82.2Confident57 Ų57118.8 Ų118.847%0.47160%0.602SS.*Hα-helixtrans-66.7-36.9177.100000111.7E538 S539 E544 E545 E546E538-A542 PolarHBondContact O-N 3.09Å; S539-A542 PolarHBondContact O-N 2.92Å; A542-E544 VanDerWaalsContact C-N 3.29Å; A542-E544 PolarHBondContact O-N 3.14Å; A542-E545 PolarHBondContact O-N 2.91Å; A542-E546 PolarHBondContact O-N 3.47Å
543D77.6Confident81.8Confident97 Ų97121.8 Ų121.852%0.51961%0.609SS.*Hα-helixtrans-67.6-26.8178.7-65.9-17.1000112.7S539 K541S539-D543 PolarHBondContact O-N 3.06Å; K541-D543 VanDerWaalsContact C-N 3.33Å
544E76.4Confident81.4Confident150 Ų150122.1 Ų122.170%0.70162%0.615SS**Hα-helixtrans-78.4-21.8175.2-72.9-172.5160.900113.4K541 A542K541-E544 PolarHBondContact O-N 2.79Å; A542-E544 VanDerWaalsContact C-N 3.29Å; A542-E544 PolarHBondContact O-N 3.14Å
545E75Confident80.8Confident157 Ų157125.1 Ų125.173%0.73463%0.628SS**Hα-helixtrans-87.1-15.9179.1-73.8-172.6171.600113.4A542A542-E545 PolarHBondContact O-N 2.91Å
546E72.8Confident80Confident171 Ų171127.7 Ų127.780%0.79963%0.633SS**SBendtrans-88-8.6178.2-152.4172.6-169.100113.3A542A542-E546 PolarHBondContact O-N 3.47Å
547E64.5Low79.2Confident185 Ų185128.6 Ų128.686%0.86464%0.643SS**  trans-101.36.9178.7-131.6-178.3-173.100114.5
548M59.1Low78.2Confident224 Ų224133.8 Ų133.8100%1.10367%0.668SS**  trans-110.30169.7-99.6-169.3-68.900111.8

Retrieved 548 of 548 residues in 304.5 ms (Link to these results)

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