G4LWD7_SCHMA Loading...

NEDD8-activating enzyme E1 catalytic subunit

Catalytic subunit of the dimeric E1 enzyme, which activates NEDD8.

AlphaFold DB , UniProt , Accession G4LWD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 436 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
1M41.5Very low63.7Low201 Ų201100 Ų10099%0.9955%0.551SS**  0-30.60-80.4178.5-175.300113.4I5M1-I5 WeakPolarHBondContact O-CG1 3.22Å
2S45.1Very low66.2Low104 Ų104102.5 Ų102.573%0.72756%0.563SS**Hα-helixtrans-66.2-36.5177.352.90000114.6S6S2-S6 PolarHBondContact O-N 3.49Å; S2-S6 VanDerWaalsContact O-N 3.13Å
3S42.4Very low68.3Low78 Ų7895.8 Ų95.855%0.54553%0.526SS..Hα-helixtrans-67.3-41.7-179.560.50000113.2I5 S6 D7S3-I5 VanDerWaalsContact C-N 3.34Å; S3-I5 PolarHBondContact O-N 2.88Å; S3-S6 WeakPolarHBondContact O-CB 3.38Å; S3-S6 PolarHBondContact O-N 3.07Å; S3-S6 PolarHBondContact O-OG 2.9Å; S3-D7 PolarHBondContact O-N 3Å
4V40.5Very low70.2Confident96 Ų9691.9 Ų91.958%0.58250%0.501SS*.Hα-helixtrans-67.7-34.3179.8-177.10000112S6 D7V4-S6 VanDerWaalsContact C-N 3.35Å; V4-D7 PolarHBondContact O-N 3.4Å
5I48.4Very low71.7Confident125 Ų12589.5 Ų89.564%0.64149%0.493SS*.Hα-helixtrans-69.8-36.1174.6-63.8170.1000110.4M1 S3 D7 K9M1-I5 WeakPolarHBondContact O-CG1 3.22Å; S3-I5 VanDerWaalsContact C-N 3.34Å; S3-I5 PolarHBondContact O-N 2.88Å; I5-D7 PolarHBondContact O-N 3.01Å; I5-K9 PolarHBondContact O-N 2.78Å
6S60Low73.2Confident68 Ų6887.3 Ų87.348%0.47648%0.479SS..Hα-helixtrans-64.1-31.2177.180.80000112.8S2 S3 V4S2-S6 PolarHBondContact O-N 3.49Å; S2-S6 VanDerWaalsContact O-N 3.13Å; S3-S6 WeakPolarHBondContact O-CB 3.38Å; S3-S6 PolarHBondContact O-N 3.07Å; S3-S6 PolarHBondContact O-OG 2.9Å; V4-S6 VanDerWaalsContact C-N 3.35Å
7D63.8Low74.5Confident101 Ų10182.1 Ų82.154%0.5445%0.451SS..Hα-helixtrans-79.5-30.9-174.2-137.822.1000113S3 V4 I5 K14S3-D7 PolarHBondContact O-N 3Å; V4-D7 PolarHBondContact O-N 3.4Å; I5-D7 PolarHBondContact O-N 3.01Å; D7-K14 IonicContact OD1-NZ 2.71Å; D7-K14 PolarHBondContact OD1-NZ 3.04Å; D7-K14 IonicContact OD2-NZ 3.04Å
8K84.8Confident75.7Confident162 Ų16281.7 Ų81.770%0.70445%0.445SS*.Hα-helixtrans-78.6-25.9174.5-71.1-170177.4-174.90113.6W10 S11K8-W10 PolarHBondContact O-N 2.92Å; K8-W10 VanDerWaalsContact O-N 3.13Å; K8-S11 PolarHBondContact O-N 3.17Å; K8-S11 PolarHBondContact O-OG 3.02Å
9K88.3Confident76.7Confident95 Ų9585.4 Ų85.441%0.41345%0.452SS..Hα-helixtrans-53.7-37.4-176.1-177.8177.1178.3177.80112.7I5 T110I5-K9 PolarHBondContact O-N 2.78Å; K9-T110 PolarHBondContact NZ-OG1 3.33Å
10W92Very high77.5Confident14 Ų1486.3 Ų86.35%0.05347%0.466CS..THydrogen-bonded Turntrans-108.415.5-173-53.5115.9000113.7K8 N12 L13 K14 L35K8-W10 PolarHBondContact O-N 2.92Å; K8-W10 VanDerWaalsContact O-N 3.13Å; W10-N12 PolarHBondContact O-N 2.79Å; W10-N12 VanDerWaalsContact O-N 3.1Å; W10-L13 HydrophobicContact CE3-CD1 3.64Å; W10-L13 HydrophobicContact CZ3-CD1 4.12Å; W10-L13 PolarHBondContact O-N 2.86Å; W10-K14 WeakPolarHBondContact O-CG 3.19Å; W10-K14 PolarHBondContact O-N 3.22Å; W10-L35 HydrophobicContact CB-CD2 3.48Å; W10-L35 VanDerWaalsContact CB-CD2 3.48Å; W10-L35 HydrophobicContact CG-CD2 3.87Å
11S93.5Very high78.3Confident56 Ų5683.6 Ų83.639%0.39246%0.458SS..Hα-helixtrans-53.4-37.1-175600000113.2K8 K14 C15K8-S11 PolarHBondContact O-N 3.17Å; K8-S11 PolarHBondContact O-OG 3.02Å; S11-K14 PolarHBondContact O-N 3.05Å; S11-C15 PolarHBondContact O-N 3.01Å; S11-C15 VanDerWaalsContact O-N 3.09Å; S11-C15 PolarHBondContact O-SG 3.34Å
12N93.9Very high80.8Confident130 Ų13080 Ų8070%0.69545%0.45SS*.Hα-helixtrans-65.8-39.6179.3-63.6-18.4000112.3W10W10-N12 PolarHBondContact O-N 2.79Å; W10-N12 VanDerWaalsContact O-N 3.1Å
13L94.5Very high83.2Confident16 Ų1682.9 Ų82.98%0.08445%0.449CS..Hα-helixtrans-74.3-38.8177.4-59.9178000111.1W10 C15 I16 L17 L35 M63 F302W10-L13 HydrophobicContact CE3-CD1 3.64Å; W10-L13 HydrophobicContact CZ3-CD1 4.12Å; W10-L13 PolarHBondContact O-N 2.86Å; L13-C15 VanDerWaalsContact C-N 3.27Å; L13-C15 PolarHBondContact O-N 2.69Å; L13-I16 PolarHBondContact O-N 2.77Å; L13-L17 PolarHBondContact O-N 2.79Å; L13-L35 HydrophobicContact CB-CD1 4.28Å; L13-L35 HydrophobicContact CD1-CD1 3.88Å; L13-M63 VanDerWaalsContact CD1-C 3.44Å; L13-M63 VanDerWaalsContact CD1-O 3.3Å; L13-M63 WeakPolarHBondContact CD1-O 3.46Å; L13-F302 HydrophobicContact CD2-CE2 3.99Å; L13-F302 HydrophobicContact CD2-CZ 4.04Å
14K94Very high85.7Confident41 Ų4180.7 Ų80.718%0.17843%0.431CS..Hα-helixtrans-58.2-38.9175.3-69.1-171.3175.2-1680112.2D7 W10 S11 I16 L17 E18 L35D7-K14 IonicContact OD1-NZ 2.71Å; D7-K14 PolarHBondContact OD1-NZ 3.04Å; D7-K14 IonicContact OD2-NZ 3.04Å; W10-K14 WeakPolarHBondContact O-CG 3.19Å; W10-K14 PolarHBondContact O-N 3.22Å; S11-K14 PolarHBondContact O-N 3.05Å; K14-I16 PolarHBondContact O-N 2.93Å; K14-L17 PolarHBondContact O-N 3.28Å; K14-E18 HydrophobicContact CB-CG 4.16Å; K14-E18 WeakPolarHBondContact CD-OE1 3.34Å; K14-E18 HydrophobicContact CG-CG 4.49Å; K14-E18 VanDerWaalsContact CG-OE1 3.27Å; K14-E18 WeakPolarHBondContact CG-OE1 3.31Å; K14-E18 VanDerWaalsContact O-CB 3.23Å; K14-E18 WeakPolarHBondContact O-CB 3.42Å; K14-E18 WeakPolarHBondContact O-CG 3.46Å; K14-E18 PolarHBondContact O-N 2.94Å; K14-L35 HydrophobicContact CG-CD2 4.07Å
15C93.5Very high88.2Confident55 Ų5577.9 Ų77.937%0.37241%0.41SS..Hα-helixtrans-59.2-27.8174.8-72.50000113.8S11 L13S11-C15 PolarHBondContact O-N 3.01Å; S11-C15 VanDerWaalsContact O-N 3.09Å; S11-C15 PolarHBondContact O-SG 3.34Å; L13-C15 VanDerWaalsContact C-N 3.27Å; L13-C15 PolarHBondContact O-N 2.69Å
16I94.8Very high90.3Very high54 Ų5477.7 Ų77.728%0.27742%0.419SS..Hα-helixtrans-88.8-43.7178.7-61.1168.1000110.5L13 K14 F302 C308 Y309L13-I16 PolarHBondContact O-N 2.77Å; K14-I16 PolarHBondContact O-N 2.93Å; I16-F302 HydrophobicContact CG2-CE1 4.14Å; I16-C308 HydrophobicContact CG2-CB 4.05Å; I16-Y309 HydrophobicContact CG2-CE2 3.89Å
17L96Very high91.7Very high0 Ų079.7 Ų79.70%042%0.421CS..Hα-helixtrans-86.8-26.7-170.6-61.9178.4000114.3L13 K14 F28 P30 S31 L34 L35 F302 T306 C308L13-L17 PolarHBondContact O-N 2.79Å; K14-L17 PolarHBondContact O-N 3.28Å; L17-F28 HydrophobicContact CD2-CE2 4.44Å; L17-F28 HydrophobicContact CD2-CZ 4.44Å; L17-P30 CarbonylContact O-C 3.48Å; L17-P30 VanDerWaalsContact O-CA 3.24Å; L17-P30 WeakPolarHBondContact O-CA 3.41Å; L17-S31 PolarHBondContact O-N 2.79Å; L17-L34 HydrophobicContact CB-CB 4.31Å; L17-L34 HydrophobicContact CB-CD1 4.41Å; L17-L34 HydrophobicContact CD1-CB 4.28Å; L17-L34 HydrophobicContact CD2-CD1 4.37Å; L17-L35 HydrophobicContact CD1-CB 4.1Å; L17-L35 HydrophobicContact CD1-CD1 4.45Å; L17-F302 HydrophobicContact CD1-CE2 4.44Å; L17-F302 HydrophobicContact CD1-CZ 4.01Å; L17-F302 HydrophobicContact CD2-CE1 4.23Å; L17-F302 HydrophobicContact CD2-CZ 3.82Å; L17-F302 HydrophobicContact CG-CZ 4Å; L17-T306 HydrophobicContact CD2-CG2 3.88Å; L17-C308 HydrophobicContact CD2-CB 4.43Å
18E95.7Very high93.2Very high74 Ų7475.8 Ų75.835%0.34640%0.399SS..SBendtrans-102.10.7-173.2-55.9-17917400113.4K14 N32K14-E18 HydrophobicContact CB-CG 4.16Å; K14-E18 WeakPolarHBondContact CD-OE1 3.34Å; K14-E18 HydrophobicContact CG-CG 4.49Å; K14-E18 VanDerWaalsContact CG-OE1 3.27Å; K14-E18 WeakPolarHBondContact CG-OE1 3.31Å; K14-E18 VanDerWaalsContact O-CB 3.23Å; K14-E18 WeakPolarHBondContact O-CB 3.42Å; K14-E18 WeakPolarHBondContact O-CG 3.46Å; K14-E18 PolarHBondContact O-N 2.94Å; E18-N32 HydrophobicContact CG-CB 4.3Å
19R94.6Very high93.6Very high153 Ų15375.8 Ų75.858%0.57740%0.402SS*.SBendtrans-126.2150.4-175.5-56.5-177.2-175.6177.41.6110.8H24 P30R19-H24 PolarHBondContact O-CE1 3.2Å; R19-P30 WeakPolarHBondContact O-CG 3.4Å
20S92.8Very high93.9Very high103 Ų10373.5 Ų73.572%0.7240%0.397SS*.  trans-83.2156.2168.3-50.70000111.1P30S20-P30 WeakPolarHBondContact OG-CG 3.43Å
21G93.7Very high94.1Very high30 Ų3074.5 Ų74.531%0.30941%0.406SS..  trans-156.4157.1177.100000111F23 H24G21-F23 PolarHBondContact O-N 2.69Å; G21-H24 PolarHBondContact N-CE1 3.31Å; G21-H24 PolarHBondContact N-ND1 2.91Å; G21-H24 PolarHBondContact O-N 2.79Å
22P95.3Very high94Very high126 Ų12677.1 Ų77.182%0.81842%0.416SS*.THydrogen-bonded Turntrans-70.4-15.9-172.328.3-36.1000114.3
23F95.4Very high94Very high163 Ų16377.7 Ų77.772%0.71541%0.414SS*.THydrogen-bonded Turntrans-105.94.7-179.2-58.6-64.1000113.3G21 Y309G21-F23 PolarHBondContact O-N 2.69Å; F23-Y309 HydrophobicContact CB-CD1 4.15Å; F23-Y309 HydrophobicContact CB-CE1 3.96Å; F23-Y309 VanDerWaalsContact O-CD1 3.3Å; F23-Y309 WeakPolarHBondContact O-CD1 3.07Å
24H94.7Very high94Very high33 Ų3378.5 Ų78.515%0.15342%0.418CS..BIsolated β-bridgetrans-66.4153.5173.2-67.3160.4000110.8R19 G21 F28 C308 Y309R19-H24 PolarHBondContact O-CE1 3.2Å; G21-H24 PolarHBondContact N-CE1 3.31Å; G21-H24 PolarHBondContact N-ND1 2.91Å; G21-H24 PolarHBondContact O-N 2.79Å; H24-F28 HydrophobicContact CB-CB 4.37Å; H24-F28 HydrophobicContact CB-CD1 3.81Å; H24-F28 HydrophobicContact CB-CG 4.48Å; H24-F28 AromaticContact CE1-CE1 3.84Å; H24-F28 AromaticContact CG-CD1 3.65Å; H24-F28 AromaticContact ND1-CD1 3.56Å; H24-F28 AromaticContact ND1-CE1 3.6Å; H24-C308 VanDerWaalsContact CA-O 3.25Å; H24-C308 WeakPolarHBondContact CA-O 3.25Å; H24-C308 WeakPolarHBondContact CB-O 3.4Å; H24-C308 PolarHBondContact CD2-O 3.16Å; H24-Y309 AromaticContact CD2-CD1 3.88Å; H24-Y309 AromaticContact CD2-CE1 3.35Å; H24-Y309 WeakPolarHBondContact CD2-CE1 3.49Å; H24-Y309 AromaticContact CD2-CE2 3.98Å; H24-Y309 AromaticContact CD2-CZ 3.4Å; H24-Y309 VanDerWaalsContact CD2-CZ 3.4Å; H24-Y309 AromaticContact NE2-CE1 3.76Å; H24-Y309 AromaticContact NE2-CE2 3.9Å; H24-Y309 AromaticContact NE2-CZ 3.33Å; H24-Y309 VanDerWaalsContact NE2-CZ 3.33Å; H24-Y309 PolarHBondContact NE2-OH 2.81Å; H24-Y309 VanDerWaalsContact NE2-OH 3.1Å
25R93.4Very high94Very high37 Ų3776.9 Ų76.914%0.1441%0.412CS..  trans-63.1149.7171.8-69.2-172.360.5176.5-3.2110.3E27 F28 F307 Y309 N310R25-E27 IonicContact CZ-OE1 3.2Å; R25-E27 IonicContact NE-OE1 3.95Å; R25-E27 IonicContact NE-OE2 3.96Å; R25-E27 IonicContact NH2-OE1 3.97Å; R25-E27 PolarHBondContact NH2-OE1 2.85Å; R25-E27 IonicContact NH2-OE2 3.72Å; R25-E27 PolarHBondContact O-N 2.8Å; R25-F28 HydrophobicContact CB-CB 4.27Å; R25-F28 WeakPolarHBondContact O-CB 3.05Å; R25-F28 PolarHBondContact O-N 2.66Å; R25-F28 VanDerWaalsContact O-N 3.08Å; R25-F307 WeakPolarHBondContact CB-O 3.45Å; R25-F307 WeakPolarHBondContact CD-O 3.3Å; R25-F307 VanDerWaalsContact NH1-CD1 3.27Å; R25-Y309 WeakPolarHBondContact CD-O 3.2Å; R25-N310 WeakPolarHBondContact CG-OD1 3.48Å
26S91.8Very high94.1Very high121 Ų12176.6 Ų76.685%0.84641%0.41SS*.THydrogen-bonded Turntrans-58.3-30.2174.936.10000113.1F28S26-F28 VanDerWaalsContact C-N 3.33Å
27E90Very high94.1Very high110 Ų11077 Ų7751%0.51441%0.412SS..THydrogen-bonded Turntrans-87.1-4.6-178-49.393.9123.300112.5R25R25-E27 IonicContact CZ-OE1 3.2Å; R25-E27 IonicContact NE-OE1 3.95Å; R25-E27 IonicContact NE-OE2 3.96Å; R25-E27 IonicContact NH2-OE1 3.97Å; R25-E27 PolarHBondContact NH2-OE1 2.85Å; R25-E27 IonicContact NH2-OE2 3.72Å; R25-E27 PolarHBondContact O-N 2.8Å
28F94.5Very high94.1Very high18 Ų1877 Ų778%0.07941%0.412CS..  trans-84.6120.9-179.1179.2-111.9000111.4L17 H24 R25 S26 P30 L34 T306 F307 C308L17-F28 HydrophobicContact CD2-CE2 4.44Å; L17-F28 HydrophobicContact CD2-CZ 4.44Å; H24-F28 HydrophobicContact CB-CB 4.37Å; H24-F28 HydrophobicContact CB-CD1 3.81Å; H24-F28 HydrophobicContact CB-CG 4.48Å; H24-F28 AromaticContact CE1-CE1 3.84Å; H24-F28 AromaticContact CG-CD1 3.65Å; H24-F28 AromaticContact ND1-CD1 3.56Å; H24-F28 AromaticContact ND1-CE1 3.6Å; R25-F28 HydrophobicContact CB-CB 4.27Å; R25-F28 WeakPolarHBondContact O-CB 3.05Å; R25-F28 PolarHBondContact O-N 2.66Å; R25-F28 VanDerWaalsContact O-N 3.08Å; S26-F28 VanDerWaalsContact C-N 3.33Å; F28-P30 HydrophobicContact CD1-CG 4.18Å; F28-P30 HydrophobicContact CE1-CB 4.2Å; F28-P30 HydrophobicContact CE1-CG 3.79Å; F28-L34 HydrophobicContact CE2-CD1 3.57Å; F28-L34 HydrophobicContact CZ-CD1 3.97Å; F28-T306 WeakPolarHBondContact CD2-O 2.91Å; F28-T306 WeakPolarHBondContact CE2-O 3.3Å; F28-F307 WeakPolarHBondContact CB-O 3.24Å; F28-C308 VanDerWaalsContact CD2-CA 3.45Å; F28-C308 HydrophobicContact CD2-CB 4.07Å; F28-C308 HydrophobicContact CE1-CB 4.34Å; F28-C308 HydrophobicContact CE2-CB 3.76Å; F28-C308 HydrophobicContact CG-CB 4.49Å; F28-C308 HydrophobicContact CZ-CB 3.92Å
29E94.2Very high94.1Very high162 Ų16277 Ų7776%0.75741%0.409SS*.  trans-107.3112172.5-66.5-172.3170.200110S31E29-S31 PolarHBondContact O-N 2.96Å
30P94.8Very high94.2Very high47 Ų4775.1 Ų75.131%0.30541%0.406SS..  trans-61.1131.5176.8-20.730.8000111.5L17 R19 S20 F28L17-P30 CarbonylContact O-C 3.48Å; L17-P30 VanDerWaalsContact O-CA 3.24Å; L17-P30 WeakPolarHBondContact O-CA 3.41Å; R19-P30 WeakPolarHBondContact O-CG 3.4Å; S20-P30 WeakPolarHBondContact OG-CG 3.43Å; F28-P30 HydrophobicContact CD1-CG 4.18Å; F28-P30 HydrophobicContact CE1-CB 4.2Å; F28-P30 HydrophobicContact CE1-CG 3.79Å
31S94.3Very high94.4Very high36 Ų3676.2 Ų76.225%0.25240%0.4SS..  trans-154.5143.1-177.4167.30000111.6L17 E29 E33 L34L17-S31 PolarHBondContact O-N 2.79Å; E29-S31 PolarHBondContact O-N 2.96Å; S31-E33 PolarHBondContact O-N 3.47Å; S31-E33 WeakPolarHBondContact OG-CB 3.29Å; S31-E33 PolarHBondContact OG-N 3.28Å; S31-L34 PolarHBondContact O-N 2.93Å
32N92.1Very high94.6Very high111 Ų11175 Ų7559%0.59439%0.387SS*.THydrogen-bonded Turntrans-71.9-11.2172.463.4-13.2000113.1E18E18-N32 HydrophobicContact CG-CB 4.3Å
33E94Very high94.7Very high142 Ų14272.9 Ų72.966%0.66436%0.364SS*.THydrogen-bonded Turntrans-85.4-22.8177.3-59.4-178.8173.600112.6S31 L35 S36 M37S31-E33 PolarHBondContact O-N 3.47Å; S31-E33 WeakPolarHBondContact OG-CB 3.29Å; S31-E33 PolarHBondContact OG-N 3.28Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.33Å; E33-S36 WeakPolarHBondContact O-CB 3.26Å; E33-S36 PolarHBondContact O-N 3.16Å; E33-M37 PolarHBondContact O-N 2.7Å
34L94.4Very high94.9Very high33 Ų3365.1 Ų65.117%0.17333%0.33CS..Hα-helixtrans-59.1-41.5-176.8-74.2173.3000112.6L17 F28 S31 S36 M37 V38L17-L34 HydrophobicContact CB-CB 4.31Å; L17-L34 HydrophobicContact CB-CD1 4.41Å; L17-L34 HydrophobicContact CD1-CB 4.28Å; L17-L34 HydrophobicContact CD2-CD1 4.37Å; F28-L34 HydrophobicContact CE2-CD1 3.57Å; F28-L34 HydrophobicContact CZ-CD1 3.97Å; S31-L34 PolarHBondContact O-N 2.93Å; L34-S36 VanDerWaalsContact C-N 3.31Å; L34-S36 PolarHBondContact O-N 2.61Å; L34-M37 HydrophobicContact CD2-CE 4.2Å; L34-M37 PolarHBondContact O-N 3.21Å; L34-V38 WeakPolarHBondContact O-CG2 3.21Å; L34-V38 PolarHBondContact O-N 3.2Å
35L94.4Very high95.1Very high7 Ų763.5 Ų63.54%0.03732%0.323CS..Hα-helixtrans-65.3-37.8177.9179.362.5000111.5W10 L13 K14 L17 E33 R39W10-L35 HydrophobicContact CB-CD2 3.48Å; W10-L35 VanDerWaalsContact CB-CD2 3.48Å; W10-L35 HydrophobicContact CG-CD2 3.87Å; L13-L35 HydrophobicContact CB-CD1 4.28Å; L13-L35 HydrophobicContact CD1-CD1 3.88Å; K14-L35 HydrophobicContact CG-CD2 4.07Å; L17-L35 HydrophobicContact CD1-CB 4.1Å; L17-L35 HydrophobicContact CD1-CD1 4.45Å; E33-L35 VanDerWaalsContact C-N 3.32Å; E33-L35 PolarHBondContact O-N 3.33Å; L35-R39 HydrophobicContact CD1-CG 4.32Å; L35-R39 WeakPolarHBondContact O-CB 3.37Å; L35-R39 WeakPolarHBondContact O-CD 3.38Å; L35-R39 WeakPolarHBondContact O-CG 3.37Å; L35-R39 PolarHBondContact O-N 3.07Å
36S94.5Very high95.4Very high48 Ų4861.8 Ų61.834%0.33632%0.316SS..Hα-helixtrans-66.7-43.7175.5-59.80000110.7E33 L34 V38 R39 E40E33-S36 WeakPolarHBondContact O-CB 3.26Å; E33-S36 PolarHBondContact O-N 3.16Å; L34-S36 VanDerWaalsContact C-N 3.31Å; L34-S36 PolarHBondContact O-N 2.61Å; S36-V38 PolarHBondContact O-N 3.38Å; S36-R39 PolarHBondContact O-N 2.82Å; S36-R39 VanDerWaalsContact O-N 3.14Å; S36-E40 WeakPolarHBondContact O-CB 3.32Å; S36-E40 WeakPolarHBondContact O-CG 3.33Å; S36-E40 PolarHBondContact O-N 2.84Å
37M95.5Very high95.7Very high64 Ų6456 Ų5632%0.31528%0.276SS..Hα-helixtrans-56.7-48.4174.2-179.6-78.8-71.200112E33 L34 R39 E40 H41 V42E33-M37 PolarHBondContact O-N 2.7Å; L34-M37 HydrophobicContact CD2-CE 4.2Å; L34-M37 PolarHBondContact O-N 3.21Å; M37-R39 VanDerWaalsContact C-N 3.29Å; M37-R39 PolarHBondContact O-N 3.21Å; M37-E40 PolarHBondContact O-N 2.88Å; M37-H41 WeakPolarHBondContact O-CB 3.14Å; M37-H41 PolarHBondContact O-N 3.26Å; M37-V42 PolarHBondContact O-N 2.89Å; M37-V42 HydrophobicContact SD-CG2 3.55Å; M37-V42 VanDerWaalsContact SD-CG2 3.55Å
38V96.5Very high96.1Very high0 Ų051.1 Ų51.10%026%0.255CS..Hα-helixtrans-59.2-40.9176.7170.90000111.6L34 S36 V42 F65 I305 T306L34-V38 WeakPolarHBondContact O-CG2 3.21Å; L34-V38 PolarHBondContact O-N 3.2Å; S36-V38 PolarHBondContact O-N 3.38Å; V38-V42 WeakPolarHBondContact O-CB 3.39Å; V38-F65 HydrophobicContact CG1-CD1 3.8Å; V38-F65 HydrophobicContact CG1-CE1 3.78Å; V38-F65 HydrophobicContact CG1-CG 4.33Å; V38-F65 HydrophobicContact CG1-CZ 4.29Å; V38-I305 HydrophobicContact CG2-CG2 4.13Å; V38-T306 HydrophobicContact CG2-CG2 3.76Å
39R95.8Very high96.2Very high74 Ų7450.3 Ų50.328%0.27925%0.251SS..Hα-helixtrans-75.3-36.4-177.4-73.2171.864.3-149.6-10.9113.2L35 S36 M37 G64 C66 H67L35-R39 HydrophobicContact CD1-CG 4.32Å; L35-R39 WeakPolarHBondContact O-CB 3.37Å; L35-R39 WeakPolarHBondContact O-CD 3.38Å; L35-R39 WeakPolarHBondContact O-CG 3.37Å; L35-R39 PolarHBondContact O-N 3.07Å; S36-R39 PolarHBondContact O-N 2.82Å; S36-R39 VanDerWaalsContact O-N 3.14Å; M37-R39 VanDerWaalsContact C-N 3.29Å; M37-R39 PolarHBondContact O-N 3.21Å; R39-G64 WeakPolarHBondContact CG-O 3.36Å; R39-C66 VanDerWaalsContact O-CB 3.29Å; R39-C66 WeakPolarHBondContact O-CB 3.42Å; R39-H67 PolarHBondContact O-CD2 2.63Å; R39-H67 VanDerWaalsContact O-CD2 3.24Å; R39-H67 PolarHBondContact O-NE2 3.2Å
40E95.6Very high96.3Very high113 Ų11343.1 Ų43.153%0.52822%0.221SC..Hα-helixtrans-100.9-22-168-65.6178.7-168.800113.6S36 M37 H67S36-E40 WeakPolarHBondContact O-CB 3.32Å; S36-E40 WeakPolarHBondContact O-CG 3.33Å; S36-E40 PolarHBondContact O-N 2.84Å; M37-E40 PolarHBondContact O-N 2.88Å; E40-H67 PolarHBondContact O-NE2 3Å
41H97.1Very high96.4Very high126 Ų12641.2 Ų41.258%0.58321%0.21SC*.THydrogen-bonded Turntrans-126.3-24.2-169.9-58.1-40.1000114.2M37 K43M37-H41 WeakPolarHBondContact O-CB 3.14Å; M37-H41 PolarHBondContact O-N 3.26Å; H41-K43 PolarHBondContact O-N 2.95Å
42V98.2Very high96.5Very high5 Ų539.8 Ų39.83%0.0320%0.2CC..  trans-83.2118.8-175.9-179.10000111.5M37 V38 I44 F65 N132 I305M37-V42 PolarHBondContact O-N 2.89Å; M37-V42 HydrophobicContact SD-CG2 3.55Å; M37-V42 VanDerWaalsContact SD-CG2 3.55Å; V38-V42 WeakPolarHBondContact O-CB 3.39Å; V42-I44 HydrophobicContact CG1-CD1 3.7Å; V42-I44 HydrophobicContact CG1-CG1 4.12Å; V42-F65 HydrophobicContact CB-CD1 4.36Å; V42-F65 HydrophobicContact CB-CE1 4.43Å; V42-F65 HydrophobicContact CG1-CD1 3.87Å; V42-F65 HydrophobicContact CG1-CE1 3.75Å; V42-N132 WeakPolarHBondContact CA-OD1 3.47Å; V42-N132 HydrophobicContact CG1-CB 3.96Å; V42-I305 HydrophobicContact CB-CG2 4.44Å; V42-I305 HydrophobicContact CG1-CD1 3.93Å; V42-I305 HydrophobicContact CG1-CG1 4.17Å; V42-I305 HydrophobicContact CG1-CG2 3.98Å; V42-I305 HydrophobicContact CG2-CG2 3.74Å
43K98.6Very high96.8Very high80 Ų8034.5 Ų34.535%0.34817%0.171SC..EExtended strand (participates in β ladder)trans-103.1125174.8-64.6-177177.6-175.80111H41 H67 F131 N132H41-K43 PolarHBondContact O-N 2.95Å; K43-H67 WeakPolarHBondContact CA-O 3.45Å; K43-H67 HydrophobicContact CG-CB 4.02Å; K43-F131 HydrophobicContact CB-CD1 4.09Å; K43-N132 PolarHBondContact N-OD1 3.5Å; K43-N132 PolarHBondContact O-N 2.84Å
44I98.8Very high97Very high0 Ų027.8 Ų27.80%014%0.14CC..EExtended strand (participates in β ladder)trans-117.9130.9178-52.3-65.2000109.7V42 L60 F65 H67 L68 E69 A133 V135 V301 I305V42-I44 HydrophobicContact CG1-CD1 3.7Å; V42-I44 HydrophobicContact CG1-CG1 4.12Å; I44-L60 HydrophobicContact CG2-CD1 3.93Å; I44-F65 HydrophobicContact CD1-CD1 4.15Å; I44-F65 HydrophobicContact CD1-CE1 4.03Å; I44-F65 HydrophobicContact CG1-CD1 3.61Å; I44-F65 HydrophobicContact CG1-CE1 3.99Å; I44-F65 HydrophobicContact CG1-CG 4.13Å; I44-H67 PolarHBondContact N-O 3.05Å; I44-L68 HydrophobicContact CB-CD2 3.78Å; I44-L68 HydrophobicContact CG1-CD2 4.32Å; I44-L68 HydrophobicContact CG2-CD2 4.49Å; I44-L68 WeakPolarHBondContact O-CA 3.49Å; I44-E69 PolarHBondContact O-N 2.96Å; I44-A133 HydrophobicContact CD1-CB 3.84Å; I44-V135 HydrophobicContact CG2-CG2 3.69Å; I44-V301 HydrophobicContact CD1-CG1 3.88Å; I44-V301 HydrophobicContact CG1-CG1 4.46Å; I44-I305 HydrophobicContact CD1-CD1 4.25Å; I44-I305 HydrophobicContact CD1-CG1 4.25Å
45L98.9Very high97.2Very high0 Ų027.5 Ų27.50%014%0.137CC..EExtended strand (participates in β ladder)trans-94.9125170.2178.163.9000109.9I47 E69 I71 F127 Y128 F131 A133 V134 V135L45-I47 HydrophobicContact CD2-CD1 3.92Å; L45-I47 HydrophobicContact CD2-CG1 3.92Å; L45-I47 HydrophobicContact CG-CD1 4.4Å; L45-I47 HydrophobicContact CG-CG1 3.87Å; L45-E69 HydrophobicContact CD1-CB 4.04Å; L45-I71 HydrophobicContact CD1-CD1 3.9Å; L45-I71 HydrophobicContact CD1-CG1 4.03Å; L45-I71 HydrophobicContact CD2-CD1 4.24Å; L45-F127 HydrophobicContact CD1-CE1 4.33Å; L45-F127 HydrophobicContact CD1-CZ 4.28Å; L45-F127 HydrophobicContact CD2-CE1 4.06Å; L45-Y128 HydrophobicContact CD2-CD1 3.83Å; L45-Y128 HydrophobicContact CD2-CE1 3.73Å; L45-F131 HydrophobicContact CB-CB 4.37Å; L45-F131 HydrophobicContact CB-CD1 3.69Å; L45-F131 HydrophobicContact CB-CD2 3.76Å; L45-F131 HydrophobicContact CB-CE1 3.83Å; L45-F131 HydrophobicContact CB-CE2 3.91Å; L45-F131 HydrophobicContact CB-CG 3.66Å; L45-F131 HydrophobicContact CB-CZ 3.95Å; L45-F131 HydrophobicContact CD1-CE1 4.34Å; L45-F131 HydrophobicContact CD1-CE2 4.17Å; L45-F131 HydrophobicContact CD1-CZ 3.9Å; L45-F131 HydrophobicContact CD2-CD2 3.97Å; L45-F131 HydrophobicContact CD2-CE2 3.79Å; L45-F131 HydrophobicContact CD2-CZ 4.36Å; L45-F131 HydrophobicContact CG-CD2 4.39Å; L45-F131 HydrophobicContact CG-CE2 4.17Å; L45-F131 HydrophobicContact CG-CZ 4.28Å; L45-A133 PolarHBondContact N-O 2.99Å; L45-A133 VanDerWaalsContact N-O 3.1Å; L45-V134 HydrophobicContact CB-CG1 4.48Å; L45-V134 HydrophobicContact CB-CG2 4.21Å; L45-V134 HydrophobicContact CD2-CG1 4.21Å; L45-V134 HydrophobicContact CD2-CG2 4.23Å; L45-V134 HydrophobicContact CG-CG1 4.45Å; L45-V134 CarbonylContact O-C 3.5Å; L45-V134 WeakPolarHBondContact O-CA 3.36Å; L45-V135 PolarHBondContact O-N 2.67Å
46V98.9Very high97.4Very high0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-101.9125.8169.1-176.70000108.7L56 L57 L60 E69 V70 I71 V135V46-L56 HydrophobicContact CG1-CB 4.22Å; V46-L56 HydrophobicContact CG1-CD1 4.3Å; V46-L57 HydrophobicContact CB-CD2 4.24Å; V46-L57 HydrophobicContact CG1-CG 4.43Å; V46-L57 HydrophobicContact CG2-CD2 4Å; V46-L60 HydrophobicContact CG2-CD1 3.62Å; V46-E69 PolarHBondContact N-O 3.41Å; V46-V70 VanDerWaalsContact O-CA 3.27Å; V46-V70 WeakPolarHBondContact O-CA 3.26Å; V46-I71 PolarHBondContact O-N 3.3Å; V46-V135 CarbonylContact C-O 3.53Å; V46-V135 WeakPolarHBondContact CA-O 3.46Å
47I98.8Very high97.6Very high1 Ų124.9 Ų24.91%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-110118.7178.9-57.2-177.9000109.1L45 I120 V134 V135 G137 L138 I147L45-I47 HydrophobicContact CD2-CD1 3.92Å; L45-I47 HydrophobicContact CD2-CG1 3.92Å; L45-I47 HydrophobicContact CG-CD1 4.4Å; L45-I47 HydrophobicContact CG-CG1 3.87Å; I47-I120 HydrophobicContact CD1-CG2 4.19Å; I47-I120 HydrophobicContact CG2-CG2 3.4Å; I47-I120 VanDerWaalsContact CG2-CG2 3.4Å; I47-V134 HydrophobicContact CD1-CG1 3.57Å; I47-V134 HydrophobicContact CG1-CG1 4.04Å; I47-V135 PolarHBondContact N-O 2.98Å; I47-G137 PolarHBondContact O-N 2.93Å; I47-L138 HydrophobicContact CG2-CD1 4.15Å; I47-L138 HydrophobicContact CG2-CD2 3.55Å; I47-L138 HydrophobicContact CG2-CG 3.9Å; I47-I147 HydrophobicContact CD1-CB 4.41Å; I47-I147 HydrophobicContact CD1-CD1 3.66Å; I47-I147 HydrophobicContact CD1-CG1 3.64Å
48G98.1Very high97.8Very high7 Ų724.4 Ų24.47%0.07212%0.116CC..  trans91.8130.8-170.300000111.5G53 I71G48-G53 WeakPolarHBondContact O-CA 3.5Å; G48-I71 WeakPolarHBondContact CA-O 3.43Å; G48-I71 PolarHBondContact N-O 3.1Å
49A97.8Very high97.9Very high0 Ų025.5 Ų25.50%012%0.122CC..  trans-112.917.7174.900000111.7C54 V70 D72 F87 K96 A100A49-C54 PolarHBondContact O-SG 2.93Å; A49-V70 HydrophobicContact CB-CG2 4.03Å; A49-D72 WeakPolarHBondContact CA-OD2 3.47Å; A49-D72 HydrophobicContact CB-CB 3.67Å; A49-D72 PolarHBondContact N-OD2 3.41Å; A49-F87 WeakPolarHBondContact O-CZ 3.49Å; A49-K96 HydrophobicContact CB-CB 4Å; A49-A100 HydrophobicContact CB-CB 4.21Å
50G96.1Very high98Very high12 Ų1222 Ų2212%0.12411%0.108CC..SBendtrans-68.2-155.717200000113.7L52 G53 C54G50-L52 PolarHBondContact O-N 2.95Å; G50-G53 PolarHBondContact O-N 3.04Å; G50-C54 WeakPolarHBondContact O-CB 3.38Å; G50-C54 PolarHBondContact O-N 3.48Å; G50-C54 PolarHBondContact O-SG 2.73Å
51G95.6Very high98.1Very high7 Ų716.6 Ų16.67%0.0728%0.084CC..Hα-helixtrans-55.9-52.2-17700000112.4E55G51-E55 PolarHBondContact O-N 3.32Å
52L97.4Very high98.1Very high6 Ų616.4 Ų16.43%0.0319%0.085CC..Hα-helixtrans-66.3-43.2177.3-167.366.7000112G50 C54 E55 L56 G137 G174 T176 N290 I293 A294G50-L52 PolarHBondContact O-N 2.95Å; L52-C54 PolarHBondContact O-N 2.9Å; L52-E55 PolarHBondContact O-N 3.19Å; L52-L56 HydrophobicContact CG-CD1 4.19Å; L52-L56 HydrophobicContact CG-CG 4.46Å; L52-L56 WeakPolarHBondContact O-CB 3.25Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.16Å; L52-G137 VanDerWaalsContact CD2-CA 3.45Å; L52-G174 VanDerWaalsContact CD2-C 3.45Å; L52-G174 VanDerWaalsContact CD2-O 3.3Å; L52-G174 WeakPolarHBondContact CD2-O 3.42Å; L52-T176 HydrophobicContact CD1-CG2 4.38Å; L52-N290 WeakPolarHBondContact CD1-O 3.38Å; L52-N290 PolarHBondContact N-OD1 2.78Å; L52-I293 HydrophobicContact CD1-CB 3.81Å; L52-I293 HydrophobicContact CD1-CG2 3.7Å; L52-I293 HydrophobicContact CD2-CG2 4.17Å; L52-A294 HydrophobicContact CD1-CB 3.67Å; L52-A294 VanDerWaalsContact CD1-N 3.35Å
53G98.3Very high98Very high0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-58.2-43.8177.400000114.3G48 G50 E55 L56 L57G48-G53 WeakPolarHBondContact O-CA 3.5Å; G50-G53 PolarHBondContact O-N 3.04Å; G53-E55 PolarHBondContact O-N 2.97Å; G53-L56 PolarHBondContact O-N 3.43Å; G53-L57 WeakPolarHBondContact O-CG 3.41Å; G53-L57 PolarHBondContact O-N 3.35Å
54C98.5Very high97.9Very high0 Ų014 Ų140%08%0.075CC..Hα-helixtrans-58.8-46.6175.7-76.60000112A49 G50 L52 K58 F85 L86A49-C54 PolarHBondContact O-SG 2.93Å; G50-C54 WeakPolarHBondContact O-CB 3.38Å; G50-C54 PolarHBondContact O-N 3.48Å; G50-C54 PolarHBondContact O-SG 2.73Å; L52-C54 PolarHBondContact O-N 2.9Å; C54-K58 PolarHBondContact O-N 3.24Å; C54-F85 HydrophobicContact CB-CD1 4.4Å; C54-F85 HydrophobicContact CB-CE1 4.02Å; C54-F85 HydrophobicContact CB-CZ 4.49Å; C54-L86 HydrophobicContact CB-CD1 3.87Å; C54-L86 HydrophobicContact CB-CG 3.84Å
55E98.8Very high97.8Very high27 Ų2714 Ų1413%0.1268%0.075CC..Hα-helixtrans-65.6-43.5176.3-82.3-69.9163.500112.1G51 L52 G53 L57 K58 N59 F85 A291 A294G51-E55 PolarHBondContact O-N 3.32Å; L52-E55 PolarHBondContact O-N 3.19Å; G53-E55 PolarHBondContact O-N 2.97Å; E55-L57 PolarHBondContact O-N 3.31Å; E55-K58 PolarHBondContact O-N 2.89Å; E55-K58 WeakPolarHBondContact OE2-CE 3.38Å; E55-K58 IonicContact OE2-NZ 2.73Å; E55-K58 PolarHBondContact OE2-NZ 2.79Å; E55-N59 WeakPolarHBondContact O-CB 3.32Å; E55-N59 PolarHBondContact O-N 3.04Å; E55-N59 PolarHBondContact O-ND2 3.18Å; E55-N59 PolarHBondContact O-OD1 3.29Å; E55-F85 HydrophobicContact CG-CE1 3.94Å; E55-F85 WeakPolarHBondContact OE1-CE1 3.47Å; E55-A291 HydrophobicContact CG-CB 4.26Å; E55-A294 HydrophobicContact CB-CB 3.28Å; E55-A294 HydrophobicContact CG-CB 4.34Å
56L98.8Very high97.7Very high0 Ų014.5 Ų14.50%08%0.078CC..Hα-helixtrans-58.2-48.6176.8-76.8172.9000112V46 L52 G53 K58 N59 L60 V135 A294 C297 A298V46-L56 HydrophobicContact CG1-CB 4.22Å; V46-L56 HydrophobicContact CG1-CD1 4.3Å; L52-L56 HydrophobicContact CG-CD1 4.19Å; L52-L56 HydrophobicContact CG-CG 4.46Å; L52-L56 WeakPolarHBondContact O-CB 3.25Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.16Å; G53-L56 PolarHBondContact O-N 3.43Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.08Å; L56-N59 PolarHBondContact O-N 3.37Å; L56-L60 WeakPolarHBondContact O-CB 3.28Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 2.7Å; L56-V135 HydrophobicContact CD1-CB 4.48Å; L56-V135 HydrophobicContact CD1-CG1 3.74Å; L56-V135 HydrophobicContact CD2-CG1 3.7Å; L56-V135 HydrophobicContact CG-CG1 4.34Å; L56-A294 HydrophobicContact CD2-CB 4.09Å; L56-A294 HydrophobicContact CG-CB 4.05Å; L56-C297 HydrophobicContact CD2-CB 3.67Å; L56-A298 HydrophobicContact CD2-CB 4.5Å
57L98.7Very high97.7Very high0 Ų017.6 Ų17.60%09%0.092CC..Hα-helixtrans-58.9-45.2178.1-75.5171.1000111.9V46 G53 E55 A61 L68 V70 L86 A100 I104 V113V46-L57 HydrophobicContact CB-CD2 4.24Å; V46-L57 HydrophobicContact CG1-CG 4.43Å; V46-L57 HydrophobicContact CG2-CD2 4Å; G53-L57 WeakPolarHBondContact O-CG 3.41Å; G53-L57 PolarHBondContact O-N 3.35Å; E55-L57 PolarHBondContact O-N 3.31Å; L57-A61 WeakPolarHBondContact O-CB 3.48Å; L57-A61 PolarHBondContact O-N 2.89Å; L57-A61 VanDerWaalsContact O-N 3.11Å; L57-L68 HydrophobicContact CD2-CD1 4.16Å; L57-V70 HydrophobicContact CD1-CB 4.48Å; L57-V70 HydrophobicContact CD1-CG2 4.22Å; L57-V70 HydrophobicContact CD2-CB 4.28Å; L57-L86 HydrophobicContact CD1-CD1 4.13Å; L57-A100 HydrophobicContact CD1-CB 3.83Å; L57-I104 HydrophobicContact CB-CD1 3.98Å; L57-I104 HydrophobicContact CB-CG1 3.97Å; L57-V113 HydrophobicContact CD2-CG1 4.13Å
58K98.5Very high97.7Very high55 Ų5517.6 Ų17.624%0.2399%0.092CC..Hα-helixtrans-58.9-51.7174171.6-176.557.969.30110.8C54 E55 L56 A61 M62 F85 I104C54-K58 PolarHBondContact O-N 3.24Å; E55-K58 PolarHBondContact O-N 2.89Å; E55-K58 WeakPolarHBondContact OE2-CE 3.38Å; E55-K58 IonicContact OE2-NZ 2.73Å; E55-K58 PolarHBondContact OE2-NZ 2.79Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.08Å; K58-A61 PolarHBondContact O-N 3.24Å; K58-M62 HydrophobicContact CD-SD 4.48Å; K58-M62 HydrophobicContact CG-SD 3.93Å; K58-M62 WeakPolarHBondContact O-CB 3.16Å; K58-M62 VanDerWaalsContact O-CG 3.3Å; K58-M62 WeakPolarHBondContact O-CG 3.34Å; K58-M62 PolarHBondContact O-N 2.93Å; K58-F85 HydrophobicContact CB-CZ 3.92Å; K58-F85 HydrophobicContact CD-CE2 4.13Å; K58-F85 HydrophobicContact CD-CZ 3.8Å; K58-F85 HydrophobicContact CG-CZ 4.44Å; K58-I104 HydrophobicContact CB-CD1 4.39Å
59N98.6Very high97.7Very high22 Ų2218.5 Ų18.512%0.1189%0.094CC..Hα-helixtrans-61.7-52.9-174.2-67.9-15.6000110.9E55 L56 A61 M62 M63 A294 A295 A298E55-N59 WeakPolarHBondContact O-CB 3.32Å; E55-N59 PolarHBondContact O-N 3.04Å; E55-N59 PolarHBondContact O-ND2 3.18Å; E55-N59 PolarHBondContact O-OD1 3.29Å; L56-N59 PolarHBondContact O-N 3.37Å; N59-A61 PolarHBondContact O-N 3.27Å; N59-M62 CarbonylContact O-C 3.55Å; N59-M62 PolarHBondContact O-N 2.82Å; N59-M62 VanDerWaalsContact O-N 3.13Å; N59-M63 WeakPolarHBondContact O-CB 3.48Å; N59-M63 WeakPolarHBondContact O-CG 3.36Å; N59-M63 PolarHBondContact O-N 3.48Å; N59-A294 VanDerWaalsContact ND2-C 3.34Å; N59-A294 PolarHBondContact ND2-O 2.98Å; N59-A295 PolarHBondContact ND2-N 3.43Å; N59-A298 HydrophobicContact CB-CB 3.5Å; N59-A298 VanDerWaalsContact CB-CB 3.5Å
60L98.5Very high97.8Very high0 Ų018.5 Ų18.50%09%0.094CC..Hα-helixtrans-59.5-46.1-179.7-66.8168.8000111.6I44 V46 L56 M62 M63 G64 F65 L68 V135 A298 V301I44-L60 HydrophobicContact CG2-CD1 3.93Å; V46-L60 HydrophobicContact CG2-CD1 3.62Å; L56-L60 WeakPolarHBondContact O-CB 3.28Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 2.7Å; L60-M62 VanDerWaalsContact C-N 3.29Å; L60-M62 PolarHBondContact O-N 3.14Å; L60-M63 CarbonylContact O-C 3.59Å; L60-M63 PolarHBondContact O-N 2.78Å; L60-G64 PolarHBondContact O-N 3.23Å; L60-F65 HydrophobicContact CB-CB 4.32Å; L60-F65 HydrophobicContact CB-CD2 4.09Å; L60-F65 HydrophobicContact CD2-CD2 3.76Å; L60-F65 HydrophobicContact CD2-CE2 3.9Å; L60-F65 WeakPolarHBondContact O-CB 3.37Å; L60-F65 WeakPolarHBondContact O-CD2 3.42Å; L60-F65 PolarHBondContact O-N 2.82Å; L60-F65 VanDerWaalsContact O-N 3.15Å; L60-L68 HydrophobicContact CB-CD1 4.18Å; L60-L68 HydrophobicContact CB-CD2 4.12Å; L60-L68 HydrophobicContact CD1-CD2 4.37Å; L60-V135 HydrophobicContact CD1-CG2 4.36Å; L60-A298 HydrophobicContact CD2-CB 4.19Å; L60-A298 HydrophobicContact CG-CB 4.42Å; L60-V301 HydrophobicContact CD2-CB 4.08Å; L60-V301 HydrophobicContact CD2-CG1 3.81Å; L60-V301 HydrophobicContact CD2-CG2 4.49Å
61A97.8Very high97.9Very high1 Ų118 Ų181%0.0089%0.089CC..Hα-helixtrans-62.7-35.1177.800000112.8L57 K58 N59 M63 L68 I104 I108 C111L57-A61 WeakPolarHBondContact O-CB 3.48Å; L57-A61 PolarHBondContact O-N 2.89Å; L57-A61 VanDerWaalsContact O-N 3.11Å; K58-A61 PolarHBondContact O-N 3.24Å; N59-A61 PolarHBondContact O-N 3.27Å; A61-M63 VanDerWaalsContact C-N 3.33Å; A61-L68 HydrophobicContact CB-CD1 4.22Å; A61-I104 HydrophobicContact CB-CG2 4Å; A61-I108 HydrophobicContact CB-CD1 3.48Å; A61-I108 VanDerWaalsContact CB-CD1 3.48Å; A61-I108 HydrophobicContact CB-CG2 4.44Å; A61-C111 HydrophobicContact CB-CB 4.09Å
62M96.6Very high98Very high122 Ų12218.4 Ų18.460%0.6019%0.089SC*.Hα-helixtrans-77.1-16.8174.1-70.9-173.868.900113.6K58 N59 L60 G64 I108K58-M62 HydrophobicContact CD-SD 4.48Å; K58-M62 HydrophobicContact CG-SD 3.93Å; K58-M62 WeakPolarHBondContact O-CB 3.16Å; K58-M62 VanDerWaalsContact O-CG 3.3Å; K58-M62 WeakPolarHBondContact O-CG 3.34Å; K58-M62 PolarHBondContact O-N 2.93Å; N59-M62 CarbonylContact O-C 3.55Å; N59-M62 PolarHBondContact O-N 2.82Å; N59-M62 VanDerWaalsContact O-N 3.13Å; L60-M62 VanDerWaalsContact C-N 3.29Å; L60-M62 PolarHBondContact O-N 3.14Å; M62-G64 VanDerWaalsContact C-N 3.32Å; M62-I108 HydrophobicContact CG-CD1 3.83Å
63M96.4Very high98Very high35 Ų3522.8 Ų22.817%0.17211%0.111CC..THydrogen-bonded Turntrans-92.913.3175.7-68.3176.284.400113.2L13 N59 L60 A61 F65 A298 F302L13-M63 VanDerWaalsContact CD1-C 3.44Å; L13-M63 VanDerWaalsContact CD1-O 3.3Å; L13-M63 WeakPolarHBondContact CD1-O 3.46Å; N59-M63 WeakPolarHBondContact O-CB 3.48Å; N59-M63 WeakPolarHBondContact O-CG 3.36Å; N59-M63 PolarHBondContact O-N 3.48Å; L60-M63 CarbonylContact O-C 3.59Å; L60-M63 PolarHBondContact O-N 2.78Å; A61-M63 VanDerWaalsContact C-N 3.33Å; M63-F65 HydrophobicContact CB-CD2 4.09Å; M63-F65 HydrophobicContact CB-CE2 4.16Å; M63-A298 HydrophobicContact SD-CB 3.85Å; M63-F302 HydrophobicContact CB-CD2 4.39Å; M63-F302 HydrophobicContact CE-CB 3.28Å; M63-F302 HydrophobicContact CE-CD1 4.24Å; M63-F302 HydrophobicContact CE-CD2 3.96Å; M63-F302 HydrophobicContact CE-CG 3.58Å
64G95.4Very high97.9Very high0 Ų025.2 Ų25.20%012%0.124CC..THydrogen-bonded Turntrans89.8-0.1173.700000114.6R39 L60 M62 C66R39-G64 WeakPolarHBondContact CG-O 3.36Å; L60-G64 PolarHBondContact O-N 3.23Å; M62-G64 VanDerWaalsContact C-N 3.32Å; G64-C66 PolarHBondContact O-N 3.3Å
65F97.6Very high97.9Very high0 Ų029.3 Ų29.30%015%0.145CC..  trans-73.4111.8173.4-62.6-78.9000110V38 V42 I44 L60 M63 L68 C111 V301 F302 I305V38-F65 HydrophobicContact CG1-CD1 3.8Å; V38-F65 HydrophobicContact CG1-CE1 3.78Å; V38-F65 HydrophobicContact CG1-CG 4.33Å; V38-F65 HydrophobicContact CG1-CZ 4.29Å; V42-F65 HydrophobicContact CB-CD1 4.36Å; V42-F65 HydrophobicContact CB-CE1 4.43Å; V42-F65 HydrophobicContact CG1-CD1 3.87Å; V42-F65 HydrophobicContact CG1-CE1 3.75Å; I44-F65 HydrophobicContact CD1-CD1 4.15Å; I44-F65 HydrophobicContact CD1-CE1 4.03Å; I44-F65 HydrophobicContact CG1-CD1 3.61Å; I44-F65 HydrophobicContact CG1-CE1 3.99Å; I44-F65 HydrophobicContact CG1-CG 4.13Å; L60-F65 HydrophobicContact CB-CB 4.32Å; L60-F65 HydrophobicContact CB-CD2 4.09Å; L60-F65 HydrophobicContact CD2-CD2 3.76Å; L60-F65 HydrophobicContact CD2-CE2 3.9Å; L60-F65 WeakPolarHBondContact O-CB 3.37Å; L60-F65 WeakPolarHBondContact O-CD2 3.42Å; L60-F65 PolarHBondContact O-N 2.82Å; L60-F65 VanDerWaalsContact O-N 3.15Å; M63-F65 HydrophobicContact CB-CD2 4.09Å; M63-F65 HydrophobicContact CB-CE2 4.16Å; F65-L68 HydrophobicContact CB-CD2 3.81Å; F65-C111 PolarHBondContact O-SG 3.43Å; F65-C111 VanDerWaalsContact O-SG 3.4Å; F65-V301 HydrophobicContact CE2-CG1 4.32Å; F65-V301 HydrophobicContact CZ-CG1 4Å; F65-F302 HydrophobicContact CE2-CB 4.34Å; F65-F302 HydrophobicContact CE2-CD2 4.09Å; F65-F302 HydrophobicContact CZ-CB 4.48Å; F65-F302 HydrophobicContact CZ-CD2 4.25Å; F65-I305 HydrophobicContact CE1-CB 4.34Å; F65-I305 HydrophobicContact CE1-CG1 4.09Å; F65-I305 HydrophobicContact CE1-CG2 4.18Å; F65-I305 HydrophobicContact CZ-CB 4.41Å; F65-I305 HydrophobicContact CZ-CG1 4.3Å
66C97.1Very high97.8Very high9 Ų928.1 Ų28.16%0.06114%0.139CC..  trans-100.9-13.7-176.6-67.50000113.5R39 G64 T110 K112R39-C66 VanDerWaalsContact O-CB 3.29Å; R39-C66 WeakPolarHBondContact O-CB 3.42Å; G64-C66 PolarHBondContact O-N 3.3Å; C66-T110 WeakPolarHBondContact CB-O 3.48Å; C66-T110 PolarHBondContact SG-O 2.79Å; C66-K112 PolarHBondContact O-N 2.67Å; C66-K112 VanDerWaalsContact O-O 3.12Å
67H98.4Very high97.5Very high65 Ų6530.6 Ų30.630%0.30115%0.153SC..EExtended strand (participates in β ladder)trans-11490.1177.7-59.3-71.2000110R39 E40 K43 I44R39-H67 PolarHBondContact O-CD2 2.63Å; R39-H67 VanDerWaalsContact O-CD2 3.24Å; R39-H67 PolarHBondContact O-NE2 3.2Å; E40-H67 PolarHBondContact O-NE2 3Å; K43-H67 WeakPolarHBondContact CA-O 3.45Å; K43-H67 HydrophobicContact CG-CB 4.02Å; I44-H67 PolarHBondContact N-O 3.05Å
68L98.8Very high97.3Very high1 Ų136.6 Ų36.61%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-109.7145.3178.1-56-178.7000109.9I44 L57 L60 A61 F65 K112 V113 V114I44-L68 HydrophobicContact CB-CD2 3.78Å; I44-L68 HydrophobicContact CG1-CD2 4.32Å; I44-L68 HydrophobicContact CG2-CD2 4.49Å; I44-L68 WeakPolarHBondContact O-CA 3.49Å; L57-L68 HydrophobicContact CD2-CD1 4.16Å; L60-L68 HydrophobicContact CB-CD1 4.18Å; L60-L68 HydrophobicContact CB-CD2 4.12Å; L60-L68 HydrophobicContact CD1-CD2 4.37Å; A61-L68 HydrophobicContact CB-CD1 4.22Å; F65-L68 HydrophobicContact CB-CD2 3.81Å; L68-K112 PolarHBondContact N-O 2.93Å; L68-V113 HydrophobicContact CB-CG1 4.26Å; L68-V113 HydrophobicContact CB-CG2 4.19Å; L68-V113 HydrophobicContact CD1-CG2 4.34Å; L68-V113 CarbonylContact O-C 3.59Å; L68-V113 VanDerWaalsContact O-CA 3.27Å; L68-V113 WeakPolarHBondContact O-CA 3.49Å; L68-V114 PolarHBondContact O-N 3.25Å
69E98.8Very high97Very high26 Ų2636.7 Ų36.712%0.12119%0.191CC..EExtended strand (participates in β ladder)trans-124.5144.9163.7-55.5-161.6-167.200109I44 L45 V46 V114 H116 F131I44-E69 PolarHBondContact O-N 2.96Å; L45-E69 HydrophobicContact CD1-CB 4.04Å; V46-E69 PolarHBondContact N-O 3.41Å; E69-V114 CarbonylContact C-O 3.55Å; E69-V114 VanDerWaalsContact CA-O 3.3Å; E69-V114 WeakPolarHBondContact CA-O 3.41Å; E69-V114 HydrophobicContact CB-CB 4.42Å; E69-V114 HydrophobicContact CG-CB 3.89Å; E69-V114 HydrophobicContact CG-CG2 4.26Å; E69-H116 IonicContact OE2-CD2 3.73Å; E69-H116 IonicContact OE2-CE1 3.33Å; E69-H116 IonicContact OE2-NE2 3.74Å; E69-H116 PolarHBondContact OE2-NE2 3.29Å; E69-F131 HydrophobicContact CB-CE1 3.83Å; E69-F131 HydrophobicContact CB-CZ 4.05Å; E69-F131 HydrophobicContact CG-CE1 3.7Å; E69-F131 HydrophobicContact CG-CZ 4.12Å
70V98.9Very high96.8Very high0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans-128.5127.7-179.960.90000111.1V46 A49 L57 A97 A101 V113 V114 P115 H116V46-V70 VanDerWaalsContact O-CA 3.27Å; V46-V70 WeakPolarHBondContact O-CA 3.26Å; A49-V70 HydrophobicContact CB-CG2 4.03Å; L57-V70 HydrophobicContact CD1-CB 4.48Å; L57-V70 HydrophobicContact CD1-CG2 4.22Å; L57-V70 HydrophobicContact CD2-CB 4.28Å; V70-A97 HydrophobicContact CG1-CB 4.37Å; V70-A101 HydrophobicContact CG1-CB 4.31Å; V70-V113 HydrophobicContact CG1-CG1 3.9Å; V70-V114 PolarHBondContact N-O 3.05Å; V70-P115 HydrophobicContact CG1-CB 4.29Å; V70-H116 WeakPolarHBondContact O-CB 3.26Å; V70-H116 PolarHBondContact O-N 3.01Å
71I98.8Very high96.6Very high3 Ų338.6 Ų38.62%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-107.2127171.9-63.1168.1000109.1L45 V46 G48 H116 N118 I120 F123 F127L45-I71 HydrophobicContact CD1-CD1 3.9Å; L45-I71 HydrophobicContact CD1-CG1 4.03Å; L45-I71 HydrophobicContact CD2-CD1 4.24Å; V46-I71 PolarHBondContact O-N 3.3Å; G48-I71 WeakPolarHBondContact CA-O 3.43Å; G48-I71 PolarHBondContact N-O 3.1Å; I71-H116 WeakPolarHBondContact CA-O 3.49Å; I71-H116 HydrophobicContact CB-CB 4.42Å; I71-H116 HydrophobicContact CG1-CB 3.78Å; I71-N118 WeakPolarHBondContact CG2-O 3.01Å; I71-I120 HydrophobicContact CD1-CG2 4.48Å; I71-I120 HydrophobicContact CG2-CG2 3.95Å; I71-F123 HydrophobicContact CD1-CD2 3.81Å; I71-F123 HydrophobicContact CD1-CE2 3.69Å; I71-F123 HydrophobicContact CD1-CZ 4.42Å; I71-F123 HydrophobicContact CG1-CE2 4Å; I71-F123 HydrophobicContact CG1-CZ 4.5Å; I71-F123 HydrophobicContact CG2-CE2 4.32Å; I71-F127 HydrophobicContact CD1-CE1 3.66Å; I71-F127 HydrophobicContact CD1-CZ 3.97Å
72D98.6Very high96.4Very high14 Ų1443.4 Ų43.48%0.07523%0.227CC..  trans-152.6135.9167.7-166.9-69.9000109.2A49 D74 K96 A97 H116 Y117 N118A49-D72 WeakPolarHBondContact CA-OD2 3.47Å; A49-D72 HydrophobicContact CB-CB 3.67Å; A49-D72 PolarHBondContact N-OD2 3.41Å; D72-D74 WeakPolarHBondContact OD1-CA 2.99Å; D72-D74 VanDerWaalsContact OD1-CB 3.28Å; D72-D74 WeakPolarHBondContact OD1-CB 3.34Å; D72-D74 PolarHBondContact OD1-N 2.93Å; D72-K96 HydrophobicContact CB-CB 4.38Å; D72-A97 HydrophobicContact CB-CB 4.08Å; D72-H116 PolarHBondContact N-O 3.47Å; D72-H116 VanDerWaalsContact N-O 3.12Å; D72-Y117 WeakPolarHBondContact O-CA 3.39Å; D72-Y117 WeakPolarHBondContact O-CD2 3.46Å; D72-N118 CarbonylContact C-O 3.49Å; D72-N118 PolarHBondContact O-N 3.41Å
73M96.7Very high96.4Very high99 Ų9940.1 Ų40.149%0.48821%0.208SC..  trans-96.4-3.7-176.772.6177.3-163.500113.5Y117 N118 K119M73-Y117 WeakPolarHBondContact O-CE2 3.42Å; M73-N118 PolarHBondContact N-O 2.96Å; M73-K119 HydrophobicContact CB-CG 3.93Å; M73-K119 HydrophobicContact CG-CG 4.43Å; M73-K119 HydrophobicContact SD-CB 4.47Å; M73-K119 HydrophobicContact SD-CD 3.87Å; M73-K119 HydrophobicContact SD-CG 3.66Å
74D96.7Very high96.5Very high50 Ų5038.8 Ų38.827%0.26720%0.201SC..PPolyproline II helixtrans-95.7158.8-172.6-63.3-20.6000112.3D72 K96D72-D74 WeakPolarHBondContact OD1-CA 2.99Å; D72-D74 VanDerWaalsContact OD1-CB 3.28Å; D72-D74 WeakPolarHBondContact OD1-CB 3.34Å; D72-D74 PolarHBondContact OD1-N 2.93Å; D74-K96 HydrophobicContact CB-CD 3.83Å; D74-K96 HydrophobicContact CB-CG 4.34Å; D74-K96 VanDerWaalsContact CB-NZ 3.29Å; D74-K96 PolarHBondContact O-N 2.77Å; D74-K96 IonicContact OD2-NZ 2.88Å; D74-K96 PolarHBondContact OD2-NZ 3.12Å
75I96.9Very high96.6Very high87 Ų8741.9 Ų41.945%0.44621%0.214SC..BIsolated β-bridgetrans-94.8157.3164.861.4173.6000110.8D77 K94 K96 Y117I75-D77 PolarHBondContact O-N 3.14Å; I75-K94 CarbonylContact C-O 3.34Å; I75-K94 WeakPolarHBondContact CA-O 3.49Å; I75-K96 VanDerWaalsContact O-CE 3.27Å; I75-K96 WeakPolarHBondContact O-CE 3.43Å; I75-Y117 HydrophobicContact CG2-CE2 4.41Å; I75-Y117 WeakPolarHBondContact CG2-OH 3.39Å
76I97.5Very high96.6Very high2 Ų242 Ų421%0.0122%0.215CC..PPolyproline II helixtrans-73.4125.7177.7-63.2162.8000109.5L81 F87 D91 V92 G93 K94 K96 V99I76-L81 HydrophobicContact CG2-CD2 4.49Å; I76-F87 HydrophobicContact CD1-CB 4.11Å; I76-F87 HydrophobicContact CD1-CD1 3.52Å; I76-F87 HydrophobicContact CD1-CD2 4.3Å; I76-F87 HydrophobicContact CD1-CE1 4.01Å; I76-F87 HydrophobicContact CD1-CG 3.71Å; I76-F87 HydrophobicContact CG1-CB 4.43Å; I76-F87 HydrophobicContact CG1-CD1 4.03Å; I76-F87 HydrophobicContact CG1-CD2 3.95Å; I76-F87 HydrophobicContact CG1-CE1 4.32Å; I76-F87 HydrophobicContact CG1-CE2 4.24Å; I76-F87 HydrophobicContact CG1-CG 3.87Å; I76-F87 HydrophobicContact CG1-CZ 4.43Å; I76-F87 HydrophobicContact CG2-CB 3.98Å; I76-F87 HydrophobicContact CG2-CD2 4.29Å; I76-F87 HydrophobicContact CG2-CG 4.21Å; I76-D91 HydrophobicContact CD1-CB 3.68Å; I76-D91 WeakPolarHBondContact CD1-O 3.41Å; I76-V92 HydrophobicContact CG2-CG2 4.36Å; I76-V92 WeakPolarHBondContact O-CA 3.2Å; I76-G93 PolarHBondContact O-N 3.28Å; I76-K94 HydrophobicContact CD1-CB 4.48Å; I76-K94 WeakPolarHBondContact CG1-O 3.08Å; I76-K94 PolarHBondContact N-O 3.25Å; I76-K96 HydrophobicContact CG1-CB 4.42Å; I76-K96 HydrophobicContact CG1-CG 3.72Å; I76-V99 HydrophobicContact CD1-CB 3.75Å; I76-V99 HydrophobicContact CD1-CG1 3.97Å; I76-V99 HydrophobicContact CD1-CG2 3.65Å
77D93.2Very high96.7Very high52 Ų5241.8 Ų41.828%0.27821%0.213SC..  trans-108.7155.8173-178.6-101.6000111.6I75 S79 N80I75-D77 PolarHBondContact O-N 3.14Å; D77-S79 PolarHBondContact O-N 2.97Å; D77-S79 WeakPolarHBondContact OD1-CB 3.28Å; D77-S79 PolarHBondContact OD1-N 2.61Å; D77-S79 PolarHBondContact OD1-OG 3.06Å; D77-N80 PolarHBondContact N-OD1 2.91Å; D77-N80 WeakPolarHBondContact O-CB 3.47Å; D77-N80 PolarHBondContact O-N 3.45Å
78I93.5Very high96.7Very high125 Ų12543.8 Ų43.864%0.64122%0.218SC*.G310 helixtrans-58.6-34.4179-164.9166.3000112.6N80 L81I78-N80 PolarHBondContact O-N 2.73Å; I78-N80 VanDerWaalsContact O-N 3.13Å; I78-L81 HydrophobicContact CG1-CD1 4.41Å; I78-L81 PolarHBondContact O-N 3.02Å
79S91.4Very high96.6Very high58 Ų5848.3 Ų48.341%0.40625%0.25SC..G310 helixtrans-66.6-11.3177.768.80000113.6D77 N82 R83D77-S79 PolarHBondContact O-N 2.97Å; D77-S79 WeakPolarHBondContact OD1-CB 3.28Å; D77-S79 PolarHBondContact OD1-N 2.61Å; D77-S79 PolarHBondContact OD1-OG 3.06Å; S79-N82 PolarHBondContact O-OD1 3.02Å; S79-N82 VanDerWaalsContact O-OD1 3.12Å; S79-R83 PolarHBondContact O-NH1 2.68Å
80N94.6Very high96.6Very high13 Ų1353.3 Ų53.37%0.0727%0.273CS..G310 helixtrans-80.5-27.9179.4-61.4170.1000112.3D77 I78 N82 R83 Q84 K96D77-N80 PolarHBondContact N-OD1 2.91Å; D77-N80 WeakPolarHBondContact O-CB 3.47Å; D77-N80 PolarHBondContact O-N 3.45Å; I78-N80 PolarHBondContact O-N 2.73Å; I78-N80 VanDerWaalsContact O-N 3.13Å; N80-N82 PolarHBondContact O-N 3.49Å; N80-N82 VanDerWaalsContact O-N 3.11Å; N80-R83 PolarHBondContact O-N 3.31Å; N80-Q84 HydrophobicContact CB-CB 4.34Å; N80-Q84 HydrophobicContact CB-CG 4.23Å; N80-Q84 WeakPolarHBondContact O-CB 3.23Å; N80-Q84 WeakPolarHBondContact O-CG 3.33Å; N80-Q84 PolarHBondContact O-N 2.91Å; N80-K96 VanDerWaalsContact OD1-CE 3.24Å; N80-K96 WeakPolarHBondContact OD1-CE 3.48Å
81L96.1Very high96.6Very high49 Ų4953.7 Ų53.726%0.25728%0.275SS..THydrogen-bonded Turntrans-66.7-17.5-167.3-58-178000114.3I76 I78 R83 F87 V92I76-L81 HydrophobicContact CG2-CD2 4.49Å; I78-L81 HydrophobicContact CG1-CD1 4.41Å; I78-L81 PolarHBondContact O-N 3.02Å; L81-R83 PolarHBondContact O-N 3.38Å; L81-F87 HydrophobicContact CD2-CB 3.83Å; L81-V92 HydrophobicContact CD1-CG2 4.47Å
82N93.7Very high96.5Very high102 Ų10256.6 Ų56.655%0.54529%0.293SS..THydrogen-bonded Turntrans-71.6-16.5177.677.9-42.4000113.8S79 N80S79-N82 PolarHBondContact O-OD1 3.02Å; S79-N82 VanDerWaalsContact O-OD1 3.12Å; N80-N82 PolarHBondContact O-N 3.49Å; N80-N82 VanDerWaalsContact O-N 3.11Å
83R95.7Very high96.4Very high53 Ų5358.2 Ų58.220%0.231%0.313CS..THydrogen-bonded Turntrans-142.9-18.2-174.669.1-166.9176.9-82.28.1114.9S79 N80 L81 F85 A285 A287S79-R83 PolarHBondContact O-NH1 2.68Å; N80-R83 PolarHBondContact O-N 3.31Å; L81-R83 PolarHBondContact O-N 3.38Å; R83-F85 PolarHBondContact O-N 2.74Å; R83-A285 VanDerWaalsContact CD-CB 3.5Å; R83-A285 VanDerWaalsContact NE-CB 3.32Å; R83-A287 HydrophobicContact CB-CB 4.26Å
84Q97.7Very high96.5Very high6 Ų657.8 Ų57.83%0.02831%0.308CS..  trans-99.574-178.3-59.5178.818.200109.7N80 L86 F87N80-Q84 HydrophobicContact CB-CB 4.34Å; N80-Q84 HydrophobicContact CB-CG 4.23Å; N80-Q84 WeakPolarHBondContact O-CB 3.23Å; N80-Q84 WeakPolarHBondContact O-CG 3.33Å; N80-Q84 PolarHBondContact O-N 2.91Å; Q84-L86 PolarHBondContact O-N 3.39Å; Q84-F87 HydrophobicContact CB-CD2 3.48Å; Q84-F87 VanDerWaalsContact CB-CD2 3.48Å; Q84-F87 HydrophobicContact CB-CE2 3.75Å; Q84-F87 HydrophobicContact CB-CG 4.48Å; Q84-F87 HydrophobicContact CG-CD2 4.45Å; Q84-F87 HydrophobicContact CG-CE2 4.38Å; Q84-F87 PolarHBondContact O-N 2.96Å
85F98.1Very high96.6Very high66 Ų6657.1 Ų57.129%0.28931%0.307SS..THydrogen-bonded Turntrans-66.5-4.1-168.669.9-89.9000115.2C54 E55 K58 R83 F87 R88C54-F85 HydrophobicContact CB-CD1 4.4Å; C54-F85 HydrophobicContact CB-CE1 4.02Å; C54-F85 HydrophobicContact CB-CZ 4.49Å; E55-F85 HydrophobicContact CG-CE1 3.94Å; E55-F85 WeakPolarHBondContact OE1-CE1 3.47Å; K58-F85 HydrophobicContact CB-CZ 3.92Å; K58-F85 HydrophobicContact CD-CE2 4.13Å; K58-F85 HydrophobicContact CD-CZ 3.8Å; K58-F85 HydrophobicContact CG-CZ 4.44Å; R83-F85 PolarHBondContact O-N 2.74Å; F85-F87 VanDerWaalsContact C-N 3.28Å; F85-R88 PolarHBondContact O-NH1 3.11Å; F85-R88 PolarHBondContact O-NH2 3.42Å
86L98.4Very high96.7Very high1 Ų153.6 Ų53.61%0.00529%0.288CS..THydrogen-bonded Turntrans-77.5-17.4171.3-59-176000112.1C54 L57 Q84 A100 F103 I104C54-L86 HydrophobicContact CB-CD1 3.87Å; C54-L86 HydrophobicContact CB-CG 3.84Å; L57-L86 HydrophobicContact CD1-CD1 4.13Å; Q84-L86 PolarHBondContact O-N 3.39Å; L86-A100 HydrophobicContact CD1-CB 3.79Å; L86-F103 HydrophobicContact CB-CB 4.38Å; L86-F103 HydrophobicContact CB-CG 4.33Å; L86-F103 HydrophobicContact CD2-CB 4.42Å; L86-F103 HydrophobicContact CD2-CD1 3.39Å; L86-F103 HydrophobicContact CD2-CE1 3.78Å; L86-F103 HydrophobicContact CD2-CG 3.99Å; L86-F103 VanDerWaalsContact O-CD2 3.22Å; L86-F103 WeakPolarHBondContact O-CD2 3.17Å; L86-I104 HydrophobicContact CD1-CD1 4.24Å; L86-I104 HydrophobicContact CD1-CG1 4.12Å; L86-I104 HydrophobicContact CD2-CD1 3.89Å; L86-I104 HydrophobicContact CD2-CG1 4.34Å
87F98.5Very high96.7Very high5 Ų553.5 Ų53.52%0.02229%0.287CS..  trans-103.2148.5-174.2-49.6-36.4000111.5A49 I76 L81 Q84 F85 K96 V99 A100A49-F87 WeakPolarHBondContact O-CZ 3.49Å; I76-F87 HydrophobicContact CD1-CB 4.11Å; I76-F87 HydrophobicContact CD1-CD1 3.52Å; I76-F87 HydrophobicContact CD1-CD2 4.3Å; I76-F87 HydrophobicContact CD1-CE1 4.01Å; I76-F87 HydrophobicContact CD1-CG 3.71Å; I76-F87 HydrophobicContact CG1-CB 4.43Å; I76-F87 HydrophobicContact CG1-CD1 4.03Å; I76-F87 HydrophobicContact CG1-CD2 3.95Å; I76-F87 HydrophobicContact CG1-CE1 4.32Å; I76-F87 HydrophobicContact CG1-CE2 4.24Å; I76-F87 HydrophobicContact CG1-CG 3.87Å; I76-F87 HydrophobicContact CG1-CZ 4.43Å; I76-F87 HydrophobicContact CG2-CB 3.98Å; I76-F87 HydrophobicContact CG2-CD2 4.29Å; I76-F87 HydrophobicContact CG2-CG 4.21Å; L81-F87 HydrophobicContact CD2-CB 3.83Å; Q84-F87 HydrophobicContact CB-CD2 3.48Å; Q84-F87 VanDerWaalsContact CB-CD2 3.48Å; Q84-F87 HydrophobicContact CB-CE2 3.75Å; Q84-F87 HydrophobicContact CB-CG 4.48Å; Q84-F87 HydrophobicContact CG-CD2 4.45Å; Q84-F87 HydrophobicContact CG-CE2 4.38Å; Q84-F87 PolarHBondContact O-N 2.96Å; F85-F87 VanDerWaalsContact C-N 3.28Å; F87-K96 HydrophobicContact CE2-CB 4.25Å; F87-K96 HydrophobicContact CE2-CD 4.17Å; F87-K96 HydrophobicContact CE2-CG 3.95Å; F87-K96 HydrophobicContact CZ-CB 3.8Å; F87-K96 HydrophobicContact CZ-CD 4.5Å; F87-K96 HydrophobicContact CZ-CG 4.01Å; F87-V99 HydrophobicContact CD1-CB 4.09Å; F87-V99 HydrophobicContact CD1-CG1 3.72Å; F87-V99 HydrophobicContact CE1-CB 4.13Å; F87-V99 HydrophobicContact CE1-CG1 4.2Å; F87-A100 HydrophobicContact CE1-CB 3.89Å; F87-A100 HydrophobicContact CZ-CB 4.17Å
88R98.2Very high97Very high107 Ų10754.4 Ų54.440%0.40429%0.292SS..  trans-122.9166.6175-61.7-67.1175.6-82.80.9110.2F85 H90 D91F85-R88 PolarHBondContact O-NH1 3.11Å; F85-R88 PolarHBondContact O-NH2 3.42Å; R88-H90 WeakPolarHBondContact CB-NE2 3.32Å; R88-H90 PolarHBondContact O-N 3.23Å; R88-H90 VanDerWaalsContact O-N 3.13Å; R88-D91 PolarHBondContact N-OD2 3.07Å; R88-D91 VanDerWaalsContact N-OD2 3.09Å; R88-D91 WeakPolarHBondContact O-CB 3.45Å; R88-D91 PolarHBondContact O-N 3.18Å
89S97.6Very high97.3Very high97 Ų9749.1 Ų49.168%0.67827%0.266SS*.G310 helixtrans-56.8-31179.1-47.90000113.2D91 V92S89-D91 PolarHBondContact O-N 3.3Å; S89-V92 WeakPolarHBondContact O-CG2 3.26Å
90H97.8Very high97.6Very high130 Ų13046.3 Ų46.360%0.60225%0.246SC*.G310 helixtrans-77.2-2.9176.265.962.7000114.2R88 K94R88-H90 WeakPolarHBondContact CB-NE2 3.32Å; R88-H90 PolarHBondContact O-N 3.23Å; R88-H90 VanDerWaalsContact O-N 3.13Å; H90-K94 WeakPolarHBondContact O-CE 3.26Å; H90-K94 PolarHBondContact O-NZ 2.99Å
91D98.3Very high97.8Very high9 Ų945.7 Ų45.75%0.04824%0.243CC..G310 helixtrans-101.6-7.4178.5-59.3-42.5000113.1I76 R88 S89 G93 K94 V99I76-D91 HydrophobicContact CD1-CB 3.68Å; I76-D91 WeakPolarHBondContact CD1-O 3.41Å; R88-D91 PolarHBondContact N-OD2 3.07Å; R88-D91 VanDerWaalsContact N-OD2 3.09Å; R88-D91 WeakPolarHBondContact O-CB 3.45Å; R88-D91 PolarHBondContact O-N 3.18Å; S89-D91 PolarHBondContact O-N 3.3Å; D91-G93 PolarHBondContact O-N 2.86Å; D91-K94 HydrophobicContact CB-CD 4.37Å; D91-K94 VanDerWaalsContact O-CB 3.27Å; D91-K94 WeakPolarHBondContact O-CB 3.28Å; D91-K94 WeakPolarHBondContact O-CG 3.44Å; D91-K94 PolarHBondContact O-N 2.99Å; D91-K94 IonicContact OD1-NZ 2.75Å; D91-K94 PolarHBondContact OD1-NZ 2.9Å; D91-V99 HydrophobicContact CB-CG1 4.03Å; D91-V99 HydrophobicContact CB-CG2 4.34Å
92V97.5Very high97.9Very high64 Ų6446.8 Ų46.839%0.38825%0.249SC..THydrogen-bonded Turntrans-53.5132.6175.5176.50000110I76 L81 S89I76-V92 HydrophobicContact CG2-CG2 4.36Å; I76-V92 WeakPolarHBondContact O-CA 3.2Å; L81-V92 HydrophobicContact CD1-CG2 4.47Å; S89-V92 WeakPolarHBondContact O-CG2 3.26Å
93G97Very high98.2Very high48 Ų4843.4 Ų43.450%0.49523%0.229SC..THydrogen-bonded Turntrans87.1-8.7-17500000115.3I76 D91I76-G93 PolarHBondContact O-N 3.28Å; D91-G93 PolarHBondContact O-N 2.86Å
94K98.5Very high98.3Very high90 Ų9041 Ų4139%0.39122%0.221SC..SBendtrans-88.6155.5175.5-58.2178.2-164.71620111.5I75 I76 H90 D91 K96 V99I75-K94 CarbonylContact C-O 3.34Å; I75-K94 WeakPolarHBondContact CA-O 3.49Å; I76-K94 HydrophobicContact CD1-CB 4.48Å; I76-K94 WeakPolarHBondContact CG1-O 3.08Å; I76-K94 PolarHBondContact N-O 3.25Å; H90-K94 WeakPolarHBondContact O-CE 3.26Å; H90-K94 PolarHBondContact O-NZ 2.99Å; D91-K94 HydrophobicContact CB-CD 4.37Å; D91-K94 VanDerWaalsContact O-CB 3.27Å; D91-K94 WeakPolarHBondContact O-CB 3.28Å; D91-K94 WeakPolarHBondContact O-CG 3.44Å; D91-K94 PolarHBondContact O-N 2.99Å; D91-K94 IonicContact OD1-NZ 2.75Å; D91-K94 PolarHBondContact OD1-NZ 2.9Å; K94-K96 PolarHBondContact O-N 2.96Å; K94-V99 HydrophobicContact CB-CG2 3.77Å; K94-V99 HydrophobicContact CD-CG2 4.06Å
95P98.5Very high98.3Very high36 Ų3643.9 Ų43.923%0.23424%0.235CC..BIsolated β-bridgetrans-58.2130173-28.437.6000113.4A97 N98 V99 Y117P95-A97 PolarHBondContact O-N 2.94Å; P95-N98 HydrophobicContact CB-CB 4.27Å; P95-N98 WeakPolarHBondContact CB-OD1 3.43Å; P95-N98 PolarHBondContact O-N 3.1Å; P95-V99 PolarHBondContact O-N 3.43Å; P95-Y117 HydrophobicContact CB-CD1 4.1Å; P95-Y117 HydrophobicContact CB-CD2 3.62Å; P95-Y117 HydrophobicContact CB-CE1 4.45Å; P95-Y117 HydrophobicContact CB-CE2 3.98Å; P95-Y117 HydrophobicContact CB-CG 3.68Å; P95-Y117 HydrophobicContact CG-CD1 3.83Å; P95-Y117 HydrophobicContact CG-CD2 4.19Å; P95-Y117 HydrophobicContact CG-CE1 3.97Å; P95-Y117 HydrophobicContact CG-CE2 4.3Å; P95-Y117 HydrophobicContact CG-CG 3.95Å
96K98.7Very high98.3Very high13 Ų1348 Ų486%0.05725%0.248CC..Hα-helixtrans-59.4-47.1-180-70.2-175.2-168.6156.50112A49 D72 D74 I75 I76 N80 F87 K94 N98 V99 A100A49-K96 HydrophobicContact CB-CB 4Å; D72-K96 HydrophobicContact CB-CB 4.38Å; D74-K96 HydrophobicContact CB-CD 3.83Å; D74-K96 HydrophobicContact CB-CG 4.34Å; D74-K96 VanDerWaalsContact CB-NZ 3.29Å; D74-K96 PolarHBondContact O-N 2.77Å; D74-K96 IonicContact OD2-NZ 2.88Å; D74-K96 PolarHBondContact OD2-NZ 3.12Å; I75-K96 VanDerWaalsContact O-CE 3.27Å; I75-K96 WeakPolarHBondContact O-CE 3.43Å; I76-K96 HydrophobicContact CG1-CB 4.42Å; I76-K96 HydrophobicContact CG1-CG 3.72Å; N80-K96 VanDerWaalsContact OD1-CE 3.24Å; N80-K96 WeakPolarHBondContact OD1-CE 3.48Å; F87-K96 HydrophobicContact CE2-CB 4.25Å; F87-K96 HydrophobicContact CE2-CD 4.17Å; F87-K96 HydrophobicContact CE2-CG 3.95Å; F87-K96 HydrophobicContact CZ-CB 3.8Å; F87-K96 HydrophobicContact CZ-CD 4.5Å; F87-K96 HydrophobicContact CZ-CG 4.01Å; K94-K96 PolarHBondContact O-N 2.96Å; K96-N98 PolarHBondContact O-N 3.37Å; K96-V99 PolarHBondContact O-N 2.98Å; K96-A100 WeakPolarHBondContact O-CB 3.36Å; K96-A100 PolarHBondContact O-N 3.37Å
97A98.7Very high98.3Very high0 Ų056.7 Ų56.70%028%0.281CS..Hα-helixtrans-54.5-49.3-178.500000112V70 D72 P95 A100 A101 P115 H116V70-A97 HydrophobicContact CG1-CB 4.37Å; D72-A97 HydrophobicContact CB-CB 4.08Å; P95-A97 PolarHBondContact O-N 2.94Å; A97-A100 PolarHBondContact O-N 3.32Å; A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 3.02Å; A97-P115 HydrophobicContact CB-CB 4.14Å; A97-P115 WeakPolarHBondContact O-CB 3.47Å; A97-H116 WeakPolarHBondContact CB-O 3.33Å
98N98.8Very high98.1Very high71 Ų7157.4 Ų57.438%0.3829%0.285SS..Hα-helixtrans-64-48-178.1-65.176.3000112.4P95 K96 A101 D102P95-N98 HydrophobicContact CB-CB 4.27Å; P95-N98 WeakPolarHBondContact CB-OD1 3.43Å; P95-N98 PolarHBondContact O-N 3.1Å; K96-N98 PolarHBondContact O-N 3.37Å; N98-A101 PolarHBondContact O-N 3.09Å; N98-D102 WeakPolarHBondContact O-CB 3.31Å; N98-D102 PolarHBondContact O-N 3.08Å
99V98.8Very high97.9Very high13 Ų1357.5 Ų57.58%0.07930%0.299CS..Hα-helixtrans-68-38.9-179.1-179.70000110.9I76 F87 D91 K94 P95 K96 D102 F103I76-V99 HydrophobicContact CD1-CB 3.75Å; I76-V99 HydrophobicContact CD1-CG1 3.97Å; I76-V99 HydrophobicContact CD1-CG2 3.65Å; F87-V99 HydrophobicContact CD1-CB 4.09Å; F87-V99 HydrophobicContact CD1-CG1 3.72Å; F87-V99 HydrophobicContact CE1-CB 4.13Å; F87-V99 HydrophobicContact CE1-CG1 4.2Å; D91-V99 HydrophobicContact CB-CG1 4.03Å; D91-V99 HydrophobicContact CB-CG2 4.34Å; K94-V99 HydrophobicContact CB-CG2 3.77Å; K94-V99 HydrophobicContact CD-CG2 4.06Å; P95-V99 PolarHBondContact O-N 3.43Å; K96-V99 PolarHBondContact O-N 2.98Å; V99-D102 PolarHBondContact O-N 3.13Å; V99-F103 WeakPolarHBondContact O-CB 3.49Å; V99-F103 PolarHBondContact O-N 3.13Å
100A98.8Very high97.6Very high0 Ų055.6 Ų55.60%028%0.284CS..Hα-helixtrans-61.7-48.6177.100000111.3A49 L57 L86 F87 K96 A97 F103 I104A49-A100 HydrophobicContact CB-CB 4.21Å; L57-A100 HydrophobicContact CD1-CB 3.83Å; L86-A100 HydrophobicContact CD1-CB 3.79Å; F87-A100 HydrophobicContact CE1-CB 3.89Å; F87-A100 HydrophobicContact CZ-CB 4.17Å; K96-A100 WeakPolarHBondContact O-CB 3.36Å; K96-A100 PolarHBondContact O-N 3.37Å; A97-A100 PolarHBondContact O-N 3.32Å; A100-F103 PolarHBondContact O-N 3.24Å; A100-I104 VanDerWaalsContact O-CG1 3.28Å; A100-I104 WeakPolarHBondContact O-CG1 3.24Å; A100-I104 PolarHBondContact O-N 3.05Å; A100-I104 VanDerWaalsContact O-N 3.09Å
101A98.7Very high97.5Very high0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-60.5-48.7177.800000112V70 A97 N98 F103 I104 M105 V113 P115V70-A101 HydrophobicContact CG1-CB 4.31Å; A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 3.02Å; N98-A101 PolarHBondContact O-N 3.09Å; A101-F103 PolarHBondContact O-N 2.91Å; A101-I104 PolarHBondContact O-N 2.95Å; A101-M105 HydrophobicContact CB-CE 4.2Å; A101-M105 WeakPolarHBondContact O-CE 3.41Å; A101-M105 WeakPolarHBondContact O-CG 3.35Å; A101-M105 PolarHBondContact O-N 2.77Å; A101-V113 HydrophobicContact CB-CB 3.82Å; A101-V113 HydrophobicContact CB-CG1 3.61Å; A101-P115 HydrophobicContact CB-CB 3.76Å; A101-P115 HydrophobicContact CB-CG 3.95Å
102D98.6Very high97.4Very high71 Ų7155.5 Ų55.538%0.3828%0.282SS..Hα-helixtrans-60.4-44.1178.5173.861.7000112.2N98 V99 I104 M105 R106N98-D102 WeakPolarHBondContact O-CB 3.31Å; N98-D102 PolarHBondContact O-N 3.08Å; V99-D102 PolarHBondContact O-N 3.13Å; D102-I104 PolarHBondContact O-N 3.29Å; D102-M105 PolarHBondContact O-N 3.01Å; D102-R106 WeakPolarHBondContact O-CB 3.47Å; D102-R106 WeakPolarHBondContact O-CG 3.39Å; D102-R106 PolarHBondContact O-N 2.96Å; D102-R106 IonicContact OD1-NE 2.84Å; D102-R106 IonicContact OD2-CZ 3.41Å; D102-R106 IonicContact OD2-NE 3.83Å; D102-R106 PolarHBondContact OD2-NE 3.12Å; D102-R106 IonicContact OD2-NH2 3.39Å; D102-R106 PolarHBondContact OD2-NH2 3.07Å
103F98.7Very high97.5Very high31 Ų3152.6 Ų52.614%0.13626%0.264CS..Hα-helixtrans-59.6-46.6177.5-170.2-75000111.7L86 V99 A100 A101 R106 R107L86-F103 HydrophobicContact CB-CB 4.38Å; L86-F103 HydrophobicContact CB-CG 4.33Å; L86-F103 HydrophobicContact CD2-CB 4.42Å; L86-F103 HydrophobicContact CD2-CD1 3.39Å; L86-F103 HydrophobicContact CD2-CE1 3.78Å; L86-F103 HydrophobicContact CD2-CG 3.99Å; L86-F103 VanDerWaalsContact O-CD2 3.22Å; L86-F103 WeakPolarHBondContact O-CD2 3.17Å; V99-F103 WeakPolarHBondContact O-CB 3.49Å; V99-F103 PolarHBondContact O-N 3.13Å; A100-F103 PolarHBondContact O-N 3.24Å; A101-F103 PolarHBondContact O-N 2.91Å; F103-R106 PolarHBondContact O-N 3.49Å; F103-R107 HydrophobicContact CD1-CB 4.47Å; F103-R107 HydrophobicContact CE1-CB 4.36Å; F103-R107 WeakPolarHBondContact O-CB 3.41Å; F103-R107 PolarHBondContact O-N 2.75Å
104I98.5Very high97.6Very high4 Ų452.6 Ų52.62%0.02126%0.255CS..Hα-helixtrans-64.5-47.1-179.2-66.4-72.6000110.8L57 K58 A61 L86 A100 A101 D102 R106 R107 I108 V113L57-I104 HydrophobicContact CB-CD1 3.98Å; L57-I104 HydrophobicContact CB-CG1 3.97Å; K58-I104 HydrophobicContact CB-CD1 4.39Å; A61-I104 HydrophobicContact CB-CG2 4Å; L86-I104 HydrophobicContact CD1-CD1 4.24Å; L86-I104 HydrophobicContact CD1-CG1 4.12Å; L86-I104 HydrophobicContact CD2-CD1 3.89Å; L86-I104 HydrophobicContact CD2-CG1 4.34Å; A100-I104 VanDerWaalsContact O-CG1 3.28Å; A100-I104 WeakPolarHBondContact O-CG1 3.24Å; A100-I104 PolarHBondContact O-N 3.05Å; A100-I104 VanDerWaalsContact O-N 3.09Å; A101-I104 PolarHBondContact O-N 2.95Å; D102-I104 PolarHBondContact O-N 3.29Å; I104-R106 VanDerWaalsContact C-N 3.31Å; I104-R106 PolarHBondContact O-N 2.92Å; I104-R107 PolarHBondContact O-N 3.24Å; I104-R107 VanDerWaalsContact O-N 3.16Å; I104-I108 PolarHBondContact O-N 3.06Å; I104-V113 HydrophobicContact CB-CG2 4.02Å; I104-V113 HydrophobicContact CG2-CG2 3.59Å
105M98.1Very high97.6Very high65 Ų6550.2 Ų50.232%0.3225%0.249SC..Hα-helixtrans-63-36.4179.1-69.6-171.6-74.200112.2A101 D102 I108 P109 C111 V113A101-M105 HydrophobicContact CB-CE 4.2Å; A101-M105 WeakPolarHBondContact O-CE 3.41Å; A101-M105 WeakPolarHBondContact O-CG 3.35Å; A101-M105 PolarHBondContact O-N 2.77Å; D102-M105 PolarHBondContact O-N 3.01Å; M105-I108 CarbonylContact O-C 3.49Å; M105-P109 WeakPolarHBondContact O-CA 3.49Å; M105-C111 WeakPolarHBondContact CG-O 3.3Å; M105-V113 WeakPolarHBondContact CE-O 3.5Å; M105-V113 HydrophobicContact CG-CB 4.15Å; M105-V113 HydrophobicContact CG-CG2 4.1Å; M105-V113 HydrophobicContact SD-CB 4.46Å; M105-V113 PolarHBondContact SD-N 3.19Å; M105-V113 VanDerWaalsContact SD-N 3.44Å
106R97.9Very high97.6Very high153 Ų15350 Ų5058%0.57724%0.244SC*.Hα-helixtrans-67-40.9172.9-75.3-172.2-73.4149.5-4.1112.7D102 F103 I104D102-R106 WeakPolarHBondContact O-CB 3.47Å; D102-R106 WeakPolarHBondContact O-CG 3.39Å; D102-R106 PolarHBondContact O-N 2.96Å; D102-R106 IonicContact OD1-NE 2.84Å; D102-R106 IonicContact OD2-CZ 3.41Å; D102-R106 IonicContact OD2-NE 3.83Å; D102-R106 PolarHBondContact OD2-NE 3.12Å; D102-R106 IonicContact OD2-NH2 3.39Å; D102-R106 PolarHBondContact OD2-NH2 3.07Å; F103-R106 PolarHBondContact O-N 3.49Å; I104-R106 VanDerWaalsContact C-N 3.31Å; I104-R106 PolarHBondContact O-N 2.92Å
107R97.4Very high97.6Very high184 Ų18454.5 Ų54.569%0.69426%0.262SS*.Hα-helixtrans-78.6-33.8-177.2-177.256.462.2-171.42.5112.9F103 I104F103-R107 HydrophobicContact CD1-CB 4.47Å; F103-R107 HydrophobicContact CE1-CB 4.36Å; F103-R107 WeakPolarHBondContact O-CB 3.41Å; F103-R107 PolarHBondContact O-N 2.75Å; I104-R107 PolarHBondContact O-N 3.24Å; I104-R107 VanDerWaalsContact O-N 3.16Å
108I95.7Very high97.6Very high19 Ų1957.4 Ų57.410%0.09728%0.277CS..  trans-128.380.5-176.1-52174000107.8A61 M62 I104 M105 T110 C111A61-I108 HydrophobicContact CB-CD1 3.48Å; A61-I108 VanDerWaalsContact CB-CD1 3.48Å; A61-I108 HydrophobicContact CB-CG2 4.44Å; M62-I108 HydrophobicContact CG-CD1 3.83Å; I104-I108 PolarHBondContact O-N 3.06Å; M105-I108 CarbonylContact O-C 3.49Å; I108-T110 PolarHBondContact O-N 3.28Å; I108-C111 HydrophobicContact CB-CB 4.32Å; I108-C111 HydrophobicContact CG2-CB 4.03Å; I108-C111 WeakPolarHBondContact O-CB 3.27Å; I108-C111 PolarHBondContact O-N 3.09Å
109P92.8Very high97.5Very high109 Ų10959.4 Ų59.471%0.70828%0.282SS*.THydrogen-bonded Turntrans-62.5-12.4-172.3-26.135.7000115.8M105 C111M105-P109 WeakPolarHBondContact O-CA 3.49Å; P109-C111 VanDerWaalsContact C-N 3.33Å
110T90.9Very high97.4Very high57 Ų5759.1 Ų59.135%0.3528%0.281SS..THydrogen-bonded Turntrans-83.7-9.3174.754.80000113K9 C66 I108K9-T110 PolarHBondContact NZ-OG1 3.33Å; C66-T110 WeakPolarHBondContact CB-O 3.48Å; C66-T110 PolarHBondContact SG-O 2.79Å; I108-T110 PolarHBondContact O-N 3.28Å
111C95.7Very high97.2Very high7 Ų762.4 Ų62.45%0.04730%0.296CS..  trans-100.6135.4-179.7-170.10000109.4A61 F65 M105 I108 P109A61-C111 HydrophobicContact CB-CB 4.09Å; F65-C111 PolarHBondContact O-SG 3.43Å; F65-C111 VanDerWaalsContact O-SG 3.4Å; M105-C111 WeakPolarHBondContact CG-O 3.3Å; I108-C111 HydrophobicContact CB-CB 4.32Å; I108-C111 HydrophobicContact CG2-CB 4.03Å; I108-C111 WeakPolarHBondContact O-CB 3.27Å; I108-C111 PolarHBondContact O-N 3.09Å; P109-C111 VanDerWaalsContact C-N 3.33Å
112K98Very high97.1Very high130 Ų13067 Ų6757%0.56532%0.32SS*.EExtended strand (participates in β ladder)trans-107.5119.9169.8180179.7178.3-178.50107.7C66 L68C66-K112 PolarHBondContact O-N 2.67Å; C66-K112 VanDerWaalsContact O-O 3.12Å; L68-K112 PolarHBondContact N-O 2.93Å
113V98.7Very high97Very high3 Ų365.2 Ų65.22%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-114.9119.1176.7-169.50000108.8L57 L68 V70 A101 I104 M105 P115L57-V113 HydrophobicContact CD2-CG1 4.13Å; L68-V113 HydrophobicContact CB-CG1 4.26Å; L68-V113 HydrophobicContact CB-CG2 4.19Å; L68-V113 HydrophobicContact CD1-CG2 4.34Å; L68-V113 CarbonylContact O-C 3.59Å; L68-V113 VanDerWaalsContact O-CA 3.27Å; L68-V113 WeakPolarHBondContact O-CA 3.49Å; V70-V113 HydrophobicContact CG1-CG1 3.9Å; A101-V113 HydrophobicContact CB-CB 3.82Å; A101-V113 HydrophobicContact CB-CG1 3.61Å; I104-V113 HydrophobicContact CB-CG2 4.02Å; I104-V113 HydrophobicContact CG2-CG2 3.59Å; M105-V113 WeakPolarHBondContact CE-O 3.5Å; M105-V113 HydrophobicContact CG-CB 4.15Å; M105-V113 HydrophobicContact CG-CG2 4.1Å; M105-V113 HydrophobicContact SD-CB 4.46Å; M105-V113 PolarHBondContact SD-N 3.19Å; M105-V113 VanDerWaalsContact SD-N 3.44Å; V113-P115 WeakPolarHBondContact O-CD 3.44Å
114V98.7Very high96.6Very high48 Ų4865.8 Ų65.829%0.29132%0.324SS..EExtended strand (participates in β ladder)trans-93.8115.4174.3-174.20000109.1L68 E69 V70L68-V114 PolarHBondContact O-N 3.25Å; E69-V114 CarbonylContact C-O 3.55Å; E69-V114 VanDerWaalsContact CA-O 3.3Å; E69-V114 WeakPolarHBondContact CA-O 3.41Å; E69-V114 HydrophobicContact CB-CB 4.42Å; E69-V114 HydrophobicContact CG-CB 3.89Å; E69-V114 HydrophobicContact CG-CG2 4.26Å; V70-V114 PolarHBondContact N-O 3.05Å
115P98.8Very high96.4Very high41 Ų4167 Ų6727%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-85.6143.4177.932.9-32.9000112.3V70 A97 A101 V113V70-P115 HydrophobicContact CG1-CB 4.29Å; A97-P115 HydrophobicContact CB-CB 4.14Å; A97-P115 WeakPolarHBondContact O-CB 3.47Å; A101-P115 HydrophobicContact CB-CB 3.76Å; A101-P115 HydrophobicContact CB-CG 3.95Å; V113-P115 WeakPolarHBondContact O-CD 3.44Å
116H98.7Very high96.3Very high31 Ų3169.1 Ų69.114%0.14435%0.353CS..EExtended strand (participates in β ladder)trans-127.2105.8172.8-61.6-76.5000109E69 V70 I71 D72 A97 N118 F123 F127E69-H116 IonicContact OE2-CD2 3.73Å; E69-H116 IonicContact OE2-CE1 3.33Å; E69-H116 IonicContact OE2-NE2 3.74Å; E69-H116 PolarHBondContact OE2-NE2 3.29Å; V70-H116 WeakPolarHBondContact O-CB 3.26Å; V70-H116 PolarHBondContact O-N 3.01Å; I71-H116 WeakPolarHBondContact CA-O 3.49Å; I71-H116 HydrophobicContact CB-CB 4.42Å; I71-H116 HydrophobicContact CG1-CB 3.78Å; D72-H116 PolarHBondContact N-O 3.47Å; D72-H116 VanDerWaalsContact N-O 3.12Å; A97-H116 WeakPolarHBondContact CB-O 3.33Å; H116-N118 PolarHBondContact O-N 3.26Å; H116-F123 HydrophobicContact CB-CE2 4.43Å; H116-F123 HydrophobicContact CB-CZ 3.88Å; H116-F123 AromaticContact CG-CZ 3.91Å; H116-F123 AromaticContact ND1-CZ 3.81Å; H116-F127 AromaticContact CE1-CE2 3.85Å; H116-F127 AromaticContact NE2-CE2 3.74Å; H116-F127 AromaticContact NE2-CZ 3.84Å
117Y98.5Very high96.4Very high107 Ų10763.3 Ų63.342%0.4233%0.332SS..  trans-83.672.6173.2179.9-131.7000109.8D72 M73 I75 P95D72-Y117 WeakPolarHBondContact O-CA 3.39Å; D72-Y117 WeakPolarHBondContact O-CD2 3.46Å; M73-Y117 WeakPolarHBondContact O-CE2 3.42Å; I75-Y117 HydrophobicContact CG2-CE2 4.41Å; I75-Y117 WeakPolarHBondContact CG2-OH 3.39Å; P95-Y117 HydrophobicContact CB-CD1 4.1Å; P95-Y117 HydrophobicContact CB-CD2 3.62Å; P95-Y117 HydrophobicContact CB-CE1 4.45Å; P95-Y117 HydrophobicContact CB-CE2 3.98Å; P95-Y117 HydrophobicContact CB-CG 3.68Å; P95-Y117 HydrophobicContact CG-CD1 3.83Å; P95-Y117 HydrophobicContact CG-CD2 4.19Å; P95-Y117 HydrophobicContact CG-CE1 3.97Å; P95-Y117 HydrophobicContact CG-CE2 4.3Å; P95-Y117 HydrophobicContact CG-CG 3.95Å
118N98.3Very high96.4Very high62 Ų6254.5 Ų54.533%0.33230%0.299SS..SBendtrans-148.1163.2-168.8-77.5100.5000110.6I71 D72 M73 H116 D122 F123I71-N118 WeakPolarHBondContact CG2-O 3.01Å; D72-N118 CarbonylContact C-O 3.49Å; D72-N118 PolarHBondContact O-N 3.41Å; M73-N118 PolarHBondContact N-O 2.96Å; H116-N118 PolarHBondContact O-N 3.26Å; N118-D122 HydrophobicContact CB-CB 4.38Å; N118-D122 WeakPolarHBondContact CB-OD2 3.33Å; N118-D122 PolarHBondContact ND2-OD2 3.45Å; N118-D122 VanDerWaalsContact ND2-OD2 3.08Å; N118-F123 HydrophobicContact CB-CE2 3.54Å; N118-F123 HydrophobicContact CB-CZ 3.77Å
119K96.8Very high96.5Very high112 Ų11259.1 Ų59.149%0.48732%0.318SS..  trans-80.3151.8165-52.4-167.4176.8173.90109M73 Q121 D122M73-K119 HydrophobicContact CB-CG 3.93Å; M73-K119 HydrophobicContact CG-CG 4.43Å; M73-K119 HydrophobicContact SD-CB 4.47Å; M73-K119 HydrophobicContact SD-CD 3.87Å; M73-K119 HydrophobicContact SD-CG 3.66Å; K119-Q121 PolarHBondContact O-N 3.18Å; K119-D122 PolarHBondContact N-OD2 2.96Å; K119-D122 WeakPolarHBondContact O-CB 3.49Å; K119-D122 PolarHBondContact O-N 2.88Å; K119-D122 VanDerWaalsContact O-N 3.08Å
120I97.2Very high96.7Very high8 Ų857.2 Ų57.24%0.04130%0.3CS..G310 helixtrans-58.4-32.8173.658.9179.9000111.4I47 I71 D122 F123 Y128 A143 W146 I147I47-I120 HydrophobicContact CD1-CG2 4.19Å; I47-I120 HydrophobicContact CG2-CG2 3.4Å; I47-I120 VanDerWaalsContact CG2-CG2 3.4Å; I71-I120 HydrophobicContact CD1-CG2 4.48Å; I71-I120 HydrophobicContact CG2-CG2 3.95Å; I120-D122 PolarHBondContact O-N 3.39Å; I120-D122 VanDerWaalsContact O-N 3.15Å; I120-F123 PolarHBondContact O-N 3.27Å; I120-Y128 PolarHBondContact O-OH 3.37Å; I120-A143 HydrophobicContact CD1-CB 3.9Å; I120-A143 WeakPolarHBondContact CD1-O 3.36Å; I120-W146 HydrophobicContact CB-CE3 4.22Å; I120-W146 HydrophobicContact CB-CZ3 4.1Å; I120-W146 HydrophobicContact CD1-CB 4.43Å; I120-W146 HydrophobicContact CD1-CD2 4.39Å; I120-W146 HydrophobicContact CD1-CE3 3.74Å; I120-W146 HydrophobicContact CD1-CZ3 4.45Å; I120-W146 HydrophobicContact CG1-CD2 4.41Å; I120-W146 HydrophobicContact CG1-CE3 3.8Å; I120-W146 HydrophobicContact CG1-CZ3 4.17Å; I120-W146 VanDerWaalsContact O-CH2 3.31Å; I120-W146 WeakPolarHBondContact O-CH2 3.42Å; I120-I147 HydrophobicContact CD1-CB 4.34Å
121Q94.4Very high97.1Very high69 Ų6954.8 Ų54.832%0.32229%0.285SS..G310 helixtrans-66.8-15.3180-61.482.9-2.800113.8K119 F123 W146K119-Q121 PolarHBondContact O-N 3.18Å; Q121-F123 PolarHBondContact O-N 2.88Å; Q121-W146 HydrophobicContact CB-CZ2 4.3Å; Q121-W146 HydrophobicContact CG-CD2 4Å; Q121-W146 HydrophobicContact CG-CG 4.11Å; Q121-W146 HydrophobicContact CG-CZ2 4.26Å
122D96Very high97.2Very high95 Ų9557.8 Ų57.851%0.50830%0.3SS..G310 helixtrans-75.2-12179.4-58.4-20.4000112N118 K119 I120N118-D122 HydrophobicContact CB-CB 4.38Å; N118-D122 WeakPolarHBondContact CB-OD2 3.33Å; N118-D122 PolarHBondContact ND2-OD2 3.45Å; N118-D122 VanDerWaalsContact ND2-OD2 3.08Å; K119-D122 PolarHBondContact N-OD2 2.96Å; K119-D122 WeakPolarHBondContact O-CB 3.49Å; K119-D122 PolarHBondContact O-N 2.88Å; K119-D122 VanDerWaalsContact O-N 3.08Å; I120-D122 PolarHBondContact O-N 3.39Å; I120-D122 VanDerWaalsContact O-N 3.15Å
123F96.2Very high97.2Very high34 Ų3451.6 Ų51.615%0.14927%0.273CS..  trans-106.8140-176.5-59.4-83.7000112.4I71 H116 N118 I120 Q121 F127 Y128I71-F123 HydrophobicContact CD1-CD2 3.81Å; I71-F123 HydrophobicContact CD1-CE2 3.69Å; I71-F123 HydrophobicContact CD1-CZ 4.42Å; I71-F123 HydrophobicContact CG1-CE2 4Å; I71-F123 HydrophobicContact CG1-CZ 4.5Å; I71-F123 HydrophobicContact CG2-CE2 4.32Å; H116-F123 HydrophobicContact CB-CE2 4.43Å; H116-F123 HydrophobicContact CB-CZ 3.88Å; H116-F123 AromaticContact CG-CZ 3.91Å; H116-F123 AromaticContact ND1-CZ 3.81Å; N118-F123 HydrophobicContact CB-CE2 3.54Å; N118-F123 HydrophobicContact CB-CZ 3.77Å; I120-F123 PolarHBondContact O-N 3.27Å; Q121-F123 PolarHBondContact O-N 2.88Å; F123-F127 HydrophobicContact CB-CB 4.02Å; F123-F127 HydrophobicContact CB-CD1 3.62Å; F123-F127 HydrophobicContact CB-CE1 4.33Å; F123-F127 HydrophobicContact CB-CG 3.9Å; F123-F127 HydrophobicContact CD1-CB 4.13Å; F123-F127 AromaticContact CD1-CD1 3.75Å; F123-F127 HydrophobicContact CD1-CD1 3.75Å; F123-F127 AromaticContact CD1-CD2 3.61Å; F123-F127 HydrophobicContact CD1-CD2 3.61Å; F123-F127 HydrophobicContact CD1-CE1 4.04Å; F123-F127 AromaticContact CD1-CE2 3.9Å; F123-F127 HydrophobicContact CD1-CE2 3.9Å; F123-F127 AromaticContact CD1-CG 3.53Å; F123-F127 HydrophobicContact CD1-CG 3.53Å; F123-F127 HydrophobicContact CD1-CZ 4.1Å; F123-F127 HydrophobicContact CD2-CD1 4.49Å; F123-F127 HydrophobicContact CD2-CE1 4.4Å; F123-F127 HydrophobicContact CE1-CD2 4.02Å; F123-F127 HydrophobicContact CE1-CE1 4.49Å; F123-F127 AromaticContact CE1-CE2 3.9Å; F123-F127 HydrophobicContact CE1-CE2 3.9Å; F123-F127 HydrophobicContact CE1-CG 4.36Å; F123-F127 HydrophobicContact CE1-CZ 4.15Å; F123-F127 HydrophobicContact CG-CB 4.48Å; F123-F127 AromaticContact CG-CD1 3.7Å; F123-F127 HydrophobicContact CG-CD1 3.7Å; F123-F127 HydrophobicContact CG-CD2 4.41Å; F123-F127 AromaticContact CG-CE1 4Å; F123-F127 HydrophobicContact CG-CE1 4Å; F123-F127 AromaticContact CG-CG 3.93Å; F123-F127 HydrophobicContact CG-CG 3.93Å; F123-F127 HydrophobicContact CG-CZ 4.46Å; F123-Y128 HydrophobicContact CB-CE2 3.76Å
124G92.3Very high97.2Very high43 Ų4351.5 Ų51.544%0.44327%0.273SS..  trans-93.1173.9174.100000113.8P126 F127 Y128G124-P126 VanDerWaalsContact C-N 3.32Å; G124-P126 VanDerWaalsContact O-N 3.14Å; G124-F127 WeakPolarHBondContact O-CB 3.47Å; G124-F127 PolarHBondContact O-N 3.26Å; G124-Y128 WeakPolarHBondContact O-CD2 3.36Å
125A93.3Very high97.2Very high31 Ų3149.2 Ų49.226%0.25626%0.259SS..Hα-helixtrans-47-41.1177.500000115.5F127 Y128 K129 M150 L154A125-F127 VanDerWaalsContact C-N 3.26Å; A125-F127 PolarHBondContact O-N 3.45Å; A125-Y128 PolarHBondContact O-N 3.3Å; A125-K129 WeakPolarHBondContact O-CG 3.48Å; A125-K129 PolarHBondContact O-N 2.94Å; A125-M150 HydrophobicContact CB-CE 3.84Å; A125-L154 HydrophobicContact CB-CD2 3.69Å
126P97Very high97.2Very high108 Ų10847.2 Ų47.270%0.70125%0.246SC*.Hα-helixtrans-59.7-34.1179.6-25.436000113.8G124G124-P126 VanDerWaalsContact C-N 3.32Å; G124-P126 VanDerWaalsContact O-N 3.14Å
127F98.4Very high97.1Very high31 Ų3146.3 Ų46.314%0.13625%0.245CC..Hα-helixtrans-66.2-47.2177.2172.4-95000110.8L45 I71 H116 F123 G124 A125 K129 Q130 F131L45-F127 HydrophobicContact CD1-CE1 4.33Å; L45-F127 HydrophobicContact CD1-CZ 4.28Å; L45-F127 HydrophobicContact CD2-CE1 4.06Å; I71-F127 HydrophobicContact CD1-CE1 3.66Å; I71-F127 HydrophobicContact CD1-CZ 3.97Å; H116-F127 AromaticContact CE1-CE2 3.85Å; H116-F127 AromaticContact NE2-CE2 3.74Å; H116-F127 AromaticContact NE2-CZ 3.84Å; F123-F127 HydrophobicContact CB-CB 4.02Å; F123-F127 HydrophobicContact CB-CD1 3.62Å; F123-F127 HydrophobicContact CB-CE1 4.33Å; F123-F127 HydrophobicContact CB-CG 3.9Å; F123-F127 HydrophobicContact CD1-CB 4.13Å; F123-F127 AromaticContact CD1-CD1 3.75Å; F123-F127 HydrophobicContact CD1-CD1 3.75Å; F123-F127 AromaticContact CD1-CD2 3.61Å; F123-F127 HydrophobicContact CD1-CD2 3.61Å; F123-F127 HydrophobicContact CD1-CE1 4.04Å; F123-F127 AromaticContact CD1-CE2 3.9Å; F123-F127 HydrophobicContact CD1-CE2 3.9Å; F123-F127 AromaticContact CD1-CG 3.53Å; F123-F127 HydrophobicContact CD1-CG 3.53Å; F123-F127 HydrophobicContact CD1-CZ 4.1Å; F123-F127 HydrophobicContact CD2-CD1 4.49Å; F123-F127 HydrophobicContact CD2-CE1 4.4Å; F123-F127 HydrophobicContact CE1-CD2 4.02Å; F123-F127 HydrophobicContact CE1-CE1 4.49Å; F123-F127 AromaticContact CE1-CE2 3.9Å; F123-F127 HydrophobicContact CE1-CE2 3.9Å; F123-F127 HydrophobicContact CE1-CG 4.36Å; F123-F127 HydrophobicContact CE1-CZ 4.15Å; F123-F127 HydrophobicContact CG-CB 4.48Å; F123-F127 AromaticContact CG-CD1 3.7Å; F123-F127 HydrophobicContact CG-CD1 3.7Å; F123-F127 HydrophobicContact CG-CD2 4.41Å; F123-F127 AromaticContact CG-CE1 4Å; F123-F127 HydrophobicContact CG-CE1 4Å; F123-F127 AromaticContact CG-CG 3.93Å; F123-F127 HydrophobicContact CG-CG 3.93Å; F123-F127 HydrophobicContact CG-CZ 4.46Å; G124-F127 WeakPolarHBondContact O-CB 3.47Å; G124-F127 PolarHBondContact O-N 3.26Å; A125-F127 VanDerWaalsContact C-N 3.26Å; A125-F127 PolarHBondContact O-N 3.45Å; F127-K129 VanDerWaalsContact C-N 3.34Å; F127-K129 PolarHBondContact O-N 3.45Å; F127-Q130 VanDerWaalsContact CD2-NE2 3.33Å; F127-Q130 WeakPolarHBondContact O-CG 3.48Å; F127-Q130 PolarHBondContact O-N 3.01Å; F127-Q130 PolarHBondContact O-NE2 2.92Å; F127-F131 AromaticContact CD1-CE2 3.99Å; F127-F131 HydrophobicContact CD1-CE2 3.99Å; F127-F131 AromaticContact CE1-CE2 3.54Å; F127-F131 HydrophobicContact CE1-CE2 3.54Å; F127-F131 AromaticContact CE1-CZ 3.98Å; F127-F131 HydrophobicContact CE1-CZ 3.98Å; F127-F131 HydrophobicContact CE2-CE2 4.25Å; F127-F131 HydrophobicContact CE2-CZ 4.07Å; F127-F131 HydrophobicContact CG-CE2 4.5Å; F127-F131 AromaticContact CZ-CE2 3.7Å; F127-F131 HydrophobicContact CZ-CE2 3.7Å; F127-F131 AromaticContact CZ-CZ 3.63Å; F127-F131 HydrophobicContact CZ-CZ 3.63Å; F127-F131 VanDerWaalsContact O-CE2 3.24Å; F127-F131 WeakPolarHBondContact O-CE2 3.21Å
128Y98Very high97Very high0 Ų042.3 Ų42.30%023%0.231CC..Hα-helixtrans-68.6-31.9-178.6-66.7-71.6000113.4L45 I120 F123 G124 A125 Q130 F131 W146 I147 M150 I169L45-Y128 HydrophobicContact CD2-CD1 3.83Å; L45-Y128 HydrophobicContact CD2-CE1 3.73Å; I120-Y128 PolarHBondContact O-OH 3.37Å; F123-Y128 HydrophobicContact CB-CE2 3.76Å; G124-Y128 WeakPolarHBondContact O-CD2 3.36Å; A125-Y128 PolarHBondContact O-N 3.3Å; Y128-Q130 PolarHBondContact O-N 3.46Å; Y128-Q130 VanDerWaalsContact O-N 3.09Å; Y128-F131 WeakPolarHBondContact O-CD2 3.43Å; Y128-F131 PolarHBondContact O-N 2.81Å; Y128-W146 AromaticContact CE2-CH2 3.84Å; Y128-W146 HydrophobicContact CE2-CH2 3.84Å; Y128-W146 AromaticContact CE2-CZ3 3.91Å; Y128-W146 HydrophobicContact CE2-CZ3 3.91Å; Y128-W146 AromaticContact CZ-CZ3 3.81Å; Y128-W146 WeakPolarHBondContact OH-CZ3 3.31Å; Y128-I147 HydrophobicContact CD1-CD1 3.86Å; Y128-I147 HydrophobicContact CE1-CD1 3.45Å; Y128-I147 VanDerWaalsContact CE1-CD1 3.45Å; Y128-M150 HydrophobicContact CD2-CG 3.46Å; Y128-M150 VanDerWaalsContact CD2-CG 3.46Å; Y128-M150 HydrophobicContact CD2-SD 3.77Å; Y128-M150 HydrophobicContact CE2-CG 3.71Å; Y128-M150 HydrophobicContact CE2-SD 4.03Å; Y128-M150 HydrophobicContact CG-CG 4Å; Y128-I169 WeakPolarHBondContact O-CD1 3.33Å
129K97.6Very high96.6Very high115 Ų11545.3 Ų45.350%0.525%0.246SC..THydrogen-bonded Turntrans-61.5-16.4179.5-78.5-179.4-178.4-175.10114.9A125 F127 F131 L154A125-K129 WeakPolarHBondContact O-CG 3.48Å; A125-K129 PolarHBondContact O-N 2.94Å; F127-K129 VanDerWaalsContact C-N 3.34Å; F127-K129 PolarHBondContact O-N 3.45Å; K129-F131 VanDerWaalsContact C-N 3.32Å; K129-L154 HydrophobicContact CD-CD2 4.46Å; K129-L154 HydrophobicContact CG-CD1 4.02Å; K129-L154 HydrophobicContact CG-CD2 3.99Å; K129-L154 HydrophobicContact CG-CG 4.49Å
130Q97.8Very high96.3Very high69 Ų6942.1 Ų42.132%0.32224%0.239SC..THydrogen-bonded Turntrans-81.1-11.7-176.882.9-172.7-5900114F127 Y128F127-Q130 VanDerWaalsContact CD2-NE2 3.33Å; F127-Q130 WeakPolarHBondContact O-CG 3.48Å; F127-Q130 PolarHBondContact O-N 3.01Å; F127-Q130 PolarHBondContact O-NE2 2.92Å; Y128-Q130 PolarHBondContact O-N 3.46Å; Y128-Q130 VanDerWaalsContact O-N 3.09Å
131F98.6Very high95.9Very high6 Ų644 Ų443%0.02625%0.25CC..  trans-96.3144.8-173-58.7-71.3000111.8K43 L45 E69 F127 Y128 K129K43-F131 HydrophobicContact CB-CD1 4.09Å; L45-F131 HydrophobicContact CB-CB 4.37Å; L45-F131 HydrophobicContact CB-CD1 3.69Å; L45-F131 HydrophobicContact CB-CD2 3.76Å; L45-F131 HydrophobicContact CB-CE1 3.83Å; L45-F131 HydrophobicContact CB-CE2 3.91Å; L45-F131 HydrophobicContact CB-CG 3.66Å; L45-F131 HydrophobicContact CB-CZ 3.95Å; L45-F131 HydrophobicContact CD1-CE1 4.34Å; L45-F131 HydrophobicContact CD1-CE2 4.17Å; L45-F131 HydrophobicContact CD1-CZ 3.9Å; L45-F131 HydrophobicContact CD2-CD2 3.97Å; L45-F131 HydrophobicContact CD2-CE2 3.79Å; L45-F131 HydrophobicContact CD2-CZ 4.36Å; L45-F131 HydrophobicContact CG-CD2 4.39Å; L45-F131 HydrophobicContact CG-CE2 4.17Å; L45-F131 HydrophobicContact CG-CZ 4.28Å; E69-F131 HydrophobicContact CB-CE1 3.83Å; E69-F131 HydrophobicContact CB-CZ 4.05Å; E69-F131 HydrophobicContact CG-CE1 3.7Å; E69-F131 HydrophobicContact CG-CZ 4.12Å; F127-F131 AromaticContact CD1-CE2 3.99Å; F127-F131 HydrophobicContact CD1-CE2 3.99Å; F127-F131 AromaticContact CE1-CE2 3.54Å; F127-F131 HydrophobicContact CE1-CE2 3.54Å; F127-F131 AromaticContact CE1-CZ 3.98Å; F127-F131 HydrophobicContact CE1-CZ 3.98Å; F127-F131 HydrophobicContact CE2-CE2 4.25Å; F127-F131 HydrophobicContact CE2-CZ 4.07Å; F127-F131 HydrophobicContact CG-CE2 4.5Å; F127-F131 AromaticContact CZ-CE2 3.7Å; F127-F131 HydrophobicContact CZ-CE2 3.7Å; F127-F131 AromaticContact CZ-CZ 3.63Å; F127-F131 HydrophobicContact CZ-CZ 3.63Å; F127-F131 VanDerWaalsContact O-CE2 3.24Å; F127-F131 WeakPolarHBondContact O-CE2 3.21Å; Y128-F131 WeakPolarHBondContact O-CD2 3.43Å; Y128-F131 PolarHBondContact O-N 2.81Å; K129-F131 VanDerWaalsContact C-N 3.32Å
132N98.4Very high95.7Very high71 Ų7142.5 Ų42.538%0.3825%0.246SC..SBendtrans-83.8-24.2174.5-59.798.1000112.4V42 K43 P170 I305V42-N132 WeakPolarHBondContact CA-OD1 3.47Å; V42-N132 HydrophobicContact CG1-CB 3.96Å; K43-N132 PolarHBondContact N-OD1 3.5Å; K43-N132 PolarHBondContact O-N 2.84Å; N132-P170 VanDerWaalsContact O-CD 3.31Å; N132-P170 WeakPolarHBondContact O-CD 3.44Å; N132-I305 HydrophobicContact CB-CD1 3.8Å
133A98.6Very high95.5Very high0 Ų038.5 Ų38.50%023%0.226CC..EExtended strand (participates in β ladder)trans-156.8156.1168.600000110.7I44 L45 P170 I305I44-A133 HydrophobicContact CD1-CB 3.84Å; L45-A133 PolarHBondContact N-O 2.99Å; L45-A133 VanDerWaalsContact N-O 3.1Å; A133-P170 WeakPolarHBondContact CA-O 3.31Å; A133-P170 HydrophobicContact CB-CB 4.4Å; A133-I305 HydrophobicContact CB-CD1 4.27Å
134V98.8Very high95.5Very high0 Ų037.5 Ų37.50%022%0.221CC..EExtended strand (participates in β ladder)trans-117.2135.5174.2-179.50000109.3L45 I47 I147 L151 I169 P170 L171 V172L45-V134 HydrophobicContact CB-CG1 4.48Å; L45-V134 HydrophobicContact CB-CG2 4.21Å; L45-V134 HydrophobicContact CD2-CG1 4.21Å; L45-V134 HydrophobicContact CD2-CG2 4.23Å; L45-V134 HydrophobicContact CG-CG1 4.45Å; L45-V134 CarbonylContact O-C 3.5Å; L45-V134 WeakPolarHBondContact O-CA 3.36Å; I47-V134 HydrophobicContact CD1-CG1 3.57Å; I47-V134 HydrophobicContact CG1-CG1 4.04Å; V134-I147 HydrophobicContact CG1-CG1 4.39Å; V134-L151 HydrophobicContact CB-CD1 3.92Å; V134-L151 HydrophobicContact CG1-CD1 4.32Å; V134-L151 HydrophobicContact CG2-CD1 3.93Å; V134-L151 HydrophobicContact CG2-CD2 4Å; V134-I169 HydrophobicContact CG2-CG2 3.97Å; V134-P170 PolarHBondContact N-O 3.44Å; V134-L171 HydrophobicContact CB-CD1 4.3Å; V134-L171 HydrophobicContact CG1-CD1 4.11Å; V134-L171 CarbonylContact O-C 3.59Å; V134-L171 WeakPolarHBondContact O-CA 3.27Å; V134-V172 PolarHBondContact O-N 2.91Å
135V98.7Very high95.5Very high0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-125.3123.7-179.6-160.50000109.2I44 L45 V46 I47 L56 L60 V172 C297 V301I44-V135 HydrophobicContact CG2-CG2 3.69Å; L45-V135 PolarHBondContact O-N 2.67Å; V46-V135 CarbonylContact C-O 3.53Å; V46-V135 WeakPolarHBondContact CA-O 3.46Å; I47-V135 PolarHBondContact N-O 2.98Å; L56-V135 HydrophobicContact CD1-CB 4.48Å; L56-V135 HydrophobicContact CD1-CG1 3.74Å; L56-V135 HydrophobicContact CD2-CG1 3.7Å; L56-V135 HydrophobicContact CG-CG1 4.34Å; L60-V135 HydrophobicContact CD1-CG2 4.36Å; V135-V172 CarbonylContact C-O 3.27Å; V135-V172 VanDerWaalsContact CA-O 3.26Å; V135-V172 WeakPolarHBondContact CA-O 3.4Å; V135-V172 HydrophobicContact CG1-CB 4.21Å; V135-V172 HydrophobicContact CG1-CG1 4.43Å; V135-C297 HydrophobicContact CG1-CB 4.25Å; V135-V301 HydrophobicContact CB-CG2 4.43Å; V135-V301 HydrophobicContact CG1-CG2 4.22Å; V135-V301 HydrophobicContact CG2-CG1 4.44Å; V135-V301 HydrophobicContact CG2-CG2 3.36Å
136C98.5Very high95.6Very high0 Ų035.3 Ų35.30%019%0.193CC..EExtended strand (participates in β ladder)trans-107.9130.5-175-67.30000111.7L138 L171 V172 D173 G174C136-L138 HydrophobicContact CB-CD1 4.15Å; C136-L138 HydrophobicContact CB-CG 4.27Å; C136-L171 HydrophobicContact CB-CD1 4.37Å; C136-L171 WeakPolarHBondContact SG-CD1 3.28Å; C136-V172 PolarHBondContact N-O 2.99Å; C136-D173 HydrophobicContact CB-CB 4.39Å; C136-D173 WeakPolarHBondContact CB-OD1 3.44Å; C136-G174 PolarHBondContact O-N 3.16Å
137G97Very high95.6Very high11 Ų1130.2 Ų30.211%0.11316%0.16CC..  trans-122.950.9164.100000110.7I47 L52I47-G137 PolarHBondContact O-N 2.93Å; L52-G137 VanDerWaalsContact CD2-CA 3.45Å
138L95.4Very high95.4Very high24 Ų2428.8 Ų28.813%0.12615%0.153CC..  trans-76.6162.3-177.2-73.3168.6000111.7I47 C136 A143 R144 I147I47-L138 HydrophobicContact CG2-CD1 4.15Å; I47-L138 HydrophobicContact CG2-CD2 3.55Å; I47-L138 HydrophobicContact CG2-CG 3.9Å; C136-L138 HydrophobicContact CB-CD1 4.15Å; C136-L138 HydrophobicContact CB-CG 4.27Å; L138-A143 HydrophobicContact CD1-CB 3.92Å; L138-A143 HydrophobicContact CD2-CB 3.85Å; L138-A143 HydrophobicContact CG-CB 4.37Å; L138-R144 HydrophobicContact CB-CG 3.97Å; L138-R144 HydrophobicContact CD1-CG 3.92Å; L138-R144 PolarHBondContact O-NH1 2.86Å; L138-R144 VanDerWaalsContact O-NH1 3.12Å; L138-R144 PolarHBondContact O-NH2 3.22Å; L138-I147 HydrophobicContact CD1-CG2 4.08Å
139D90.6Very high95.1Very high124 Ų12429 Ų2966%0.66316%0.155SC*.SBendtrans-118.2-2.8-178.665-13.6000113.3
140S89.6Confident95Very high46 Ų4624 Ų2432%0.32213%0.134SC..  trans-126.9144.3177.268.60000112.6T142 A143 R144S140-T142 VanDerWaalsContact C-N 3.32Å; S140-A143 VanDerWaalsContact OG-CB 3.23Å; S140-A143 WeakPolarHBondContact OG-CB 3.29Å; S140-A143 PolarHBondContact OG-N 2.9Å; S140-R144 WeakPolarHBondContact O-CG 3.35Å; S140-R144 PolarHBondContact O-N 3.14Å
141V89.5Confident94.8Very high46 Ų4620.8 Ų20.828%0.27912%0.119SC..Hα-helixtrans-64.9-39.3174.8-179.20000110.4A143 R144 R145 L198 Y201V141-A143 PolarHBondContact O-N 2.86Å; V141-R144 WeakPolarHBondContact O-CB 3.45Å; V141-R144 PolarHBondContact O-N 3.42Å; V141-R145 HydrophobicContact CG1-CG 4.19Å; V141-R145 WeakPolarHBondContact O-CG 3.47Å; V141-R145 PolarHBondContact O-N 2.96Å; V141-L198 HydrophobicContact CG1-CD2 4.1Å; V141-Y201 HydrophobicContact CG2-CD1 3.63Å; V141-Y201 HydrophobicContact CG2-CE1 3.77Å; V141-Y201 HydrophobicContact CG2-CG 4.13Å
142T89.4Confident94.6Very high38 Ų3820.9 Ų20.923%0.23312%0.12CC..Hα-helixtrans-58.6-46.9178.4-53.90000112.4S140 R144 R145 W146 T422S140-T142 VanDerWaalsContact C-N 3.32Å; T142-R144 VanDerWaalsContact C-N 3.34Å; T142-R144 PolarHBondContact O-N 3.35Å; T142-R145 PolarHBondContact O-N 3.33Å; T142-W146 WeakPolarHBondContact O-CB 3.48Å; T142-W146 PolarHBondContact O-N 2.86Å; T142-T422 HydrophobicContact CG2-CG2 4.07Å
143A93Very high94.2Very high11 Ų1119.8 Ų19.89%0.09112%0.118CC..Hα-helixtrans-64.5-40.7178.400000111.7I120 L138 S140 V141 W146 I147I120-A143 HydrophobicContact CD1-CB 3.9Å; I120-A143 WeakPolarHBondContact CD1-O 3.36Å; L138-A143 HydrophobicContact CD1-CB 3.92Å; L138-A143 HydrophobicContact CD2-CB 3.85Å; L138-A143 HydrophobicContact CG-CB 4.37Å; S140-A143 VanDerWaalsContact OG-CB 3.23Å; S140-A143 WeakPolarHBondContact OG-CB 3.29Å; S140-A143 PolarHBondContact OG-N 2.9Å; V141-A143 PolarHBondContact O-N 2.86Å; A143-W146 PolarHBondContact O-N 2.73Å; A143-I147 WeakPolarHBondContact O-CG2 3.41Å; A143-I147 PolarHBondContact O-N 3.07Å
144R95.1Very high93.9Very high14 Ų1420.3 Ų20.35%0.05312%0.121CC..Hα-helixtrans-59.1-47174.9-83.9-175.4178.390.6-1.7112.6L138 S140 V141 T142 W146 I147 N148 D173 G174 L194 Y201L138-R144 HydrophobicContact CB-CG 3.97Å; L138-R144 HydrophobicContact CD1-CG 3.92Å; L138-R144 PolarHBondContact O-NH1 2.86Å; L138-R144 VanDerWaalsContact O-NH1 3.12Å; L138-R144 PolarHBondContact O-NH2 3.22Å; S140-R144 WeakPolarHBondContact O-CG 3.35Å; S140-R144 PolarHBondContact O-N 3.14Å; V141-R144 WeakPolarHBondContact O-CB 3.45Å; V141-R144 PolarHBondContact O-N 3.42Å; T142-R144 VanDerWaalsContact C-N 3.34Å; T142-R144 PolarHBondContact O-N 3.35Å; R144-W146 VanDerWaalsContact C-N 3.34Å; R144-I147 VanDerWaalsContact O-CG2 3.29Å; R144-I147 WeakPolarHBondContact O-CG2 3.45Å; R144-N148 WeakPolarHBondContact O-CB 3.2Å; R144-N148 PolarHBondContact O-N 2.95Å; R144-D173 IonicContact CZ-OD1 2.58Å; R144-D173 IonicContact NE-OD1 2.88Å; R144-D173 PolarHBondContact NE-OD1 2.88Å; R144-D173 IonicContact NE-OD2 2.81Å; R144-D173 PolarHBondContact NE-OD2 2.93Å; R144-G174 PolarHBondContact NH2-O 3.14Å; R144-L194 HydrophobicContact CB-CD1 3.59Å; R144-L194 HydrophobicContact CB-CD2 3.96Å; R144-L194 HydrophobicContact CB-CG 4.43Å; R144-L194 HydrophobicContact CG-CD1 4.03Å; R144-Y201 WeakPolarHBondContact CD-OH 3.36Å
145R93.1Very high93.5Very high8 Ų821 Ų213%0.0313%0.125CC..Hα-helixtrans-62.4-41.9175.9-70.5-17873.1-165.40.6111.9V141 T142 N148 S149 L194 E195 L198 F368 Q369 T422V141-R145 HydrophobicContact CG1-CG 4.19Å; V141-R145 WeakPolarHBondContact O-CG 3.47Å; V141-R145 PolarHBondContact O-N 2.96Å; T142-R145 PolarHBondContact O-N 3.33Å; R145-N148 WeakPolarHBondContact O-CB 3.43Å; R145-N148 PolarHBondContact O-N 3.09Å; R145-S149 WeakPolarHBondContact O-CB 3.28Å; R145-S149 PolarHBondContact O-N 3.23Å; R145-L194 HydrophobicContact CG-CD2 3.85Å; R145-E195 IonicContact CZ-OE1 2.7Å; R145-E195 IonicContact CZ-OE2 3.93Å; R145-E195 IonicContact NE-OE1 3.57Å; R145-E195 PolarHBondContact NE-OE1 3.41Å; R145-E195 IonicContact NE-OE2 3.17Å; R145-E195 PolarHBondContact NE-OE2 3.11Å; R145-E195 VanDerWaalsContact NE-OE2 3.15Å; R145-E195 IonicContact NH2-OE1 2.75Å; R145-E195 PolarHBondContact NH2-OE1 3.4Å; R145-E195 IonicContact NH2-OE2 3.06Å; R145-L198 HydrophobicContact CG-CD2 3.89Å; R145-F368 PolarHBondContact NH1-O 3.32Å; R145-F368 PolarHBondContact NH2-O 3.46Å; R145-Q369 PolarHBondContact NH1-O 3.04Å; R145-T422 CarbonylContact C-O 3.57Å
146W94.6Very high93.1Very high20 Ų2028.9 Ų28.98%0.07616%0.155CC..Hα-helixtrans-62-51.1-179.8-171.397.3000111.7I120 Q121 Y128 T142 A143 R144 N148 S149 M150 T422 P424I120-W146 HydrophobicContact CB-CE3 4.22Å; I120-W146 HydrophobicContact CB-CZ3 4.1Å; I120-W146 HydrophobicContact CD1-CB 4.43Å; I120-W146 HydrophobicContact CD1-CD2 4.39Å; I120-W146 HydrophobicContact CD1-CE3 3.74Å; I120-W146 HydrophobicContact CD1-CZ3 4.45Å; I120-W146 HydrophobicContact CG1-CD2 4.41Å; I120-W146 HydrophobicContact CG1-CE3 3.8Å; I120-W146 HydrophobicContact CG1-CZ3 4.17Å; I120-W146 VanDerWaalsContact O-CH2 3.31Å; I120-W146 WeakPolarHBondContact O-CH2 3.42Å; Q121-W146 HydrophobicContact CB-CZ2 4.3Å; Q121-W146 HydrophobicContact CG-CD2 4Å; Q121-W146 HydrophobicContact CG-CG 4.11Å; Q121-W146 HydrophobicContact CG-CZ2 4.26Å; Y128-W146 AromaticContact CE2-CH2 3.84Å; Y128-W146 HydrophobicContact CE2-CH2 3.84Å; Y128-W146 AromaticContact CE2-CZ3 3.91Å; Y128-W146 HydrophobicContact CE2-CZ3 3.91Å; Y128-W146 AromaticContact CZ-CZ3 3.81Å; Y128-W146 WeakPolarHBondContact OH-CZ3 3.31Å; T142-W146 WeakPolarHBondContact O-CB 3.48Å; T142-W146 PolarHBondContact O-N 2.86Å; A143-W146 PolarHBondContact O-N 2.73Å; R144-W146 VanDerWaalsContact C-N 3.34Å; W146-N148 VanDerWaalsContact C-N 3.33Å; W146-N148 PolarHBondContact O-N 2.68Å; W146-S149 PolarHBondContact O-N 3.41Å; W146-M150 HydrophobicContact CE3-CB 4.24Å; W146-M150 HydrophobicContact CH2-CB 4.29Å; W146-M150 HydrophobicContact CH2-CG 4.13Å; W146-M150 HydrophobicContact CH2-SD 4.11Å; W146-M150 HydrophobicContact CZ3-CB 3.93Å; W146-M150 HydrophobicContact CZ3-CG 4.04Å; W146-M150 WeakPolarHBondContact O-CB 3.23Å; W146-M150 PolarHBondContact O-N 2.89Å; W146-T422 WeakPolarHBondContact CA-O 3.45Å; W146-T422 PolarHBondContact N-O 3.01Å; W146-T422 VanDerWaalsContact N-O 3.16Å; W146-P424 HydrophobicContact CD2-CG 4.44Å; W146-P424 HydrophobicContact CZ2-CB 3.91Å; W146-P424 HydrophobicContact CZ2-CG 4.29Å; W146-P424 WeakPolarHBondContact O-CD 3.28Å
147I96.5Very high92.5Very high1 Ų133 Ų331%0.00517%0.171CC..Hα-helixtrans-66.6-36.8179.3-172.565.4000111.6I47 I120 Y128 V134 L138 A143 R144 S149 M150 L151I47-I147 HydrophobicContact CD1-CB 4.41Å; I47-I147 HydrophobicContact CD1-CD1 3.66Å; I47-I147 HydrophobicContact CD1-CG1 3.64Å; I120-I147 HydrophobicContact CD1-CB 4.34Å; Y128-I147 HydrophobicContact CD1-CD1 3.86Å; Y128-I147 HydrophobicContact CE1-CD1 3.45Å; Y128-I147 VanDerWaalsContact CE1-CD1 3.45Å; V134-I147 HydrophobicContact CG1-CG1 4.39Å; L138-I147 HydrophobicContact CD1-CG2 4.08Å; A143-I147 WeakPolarHBondContact O-CG2 3.41Å; A143-I147 PolarHBondContact O-N 3.07Å; R144-I147 VanDerWaalsContact O-CG2 3.29Å; R144-I147 WeakPolarHBondContact O-CG2 3.45Å; I147-S149 VanDerWaalsContact C-N 3.35Å; I147-S149 PolarHBondContact O-N 3.19Å; I147-M150 HydrophobicContact CD1-CB 4.41Å; I147-M150 PolarHBondContact O-N 2.78Å; I147-L151 HydrophobicContact CD1-CD1 4.42Å; I147-L151 HydrophobicContact CD1-CG 4.17Å; I147-L151 HydrophobicContact CG1-CD1 4.12Å; I147-L151 HydrophobicContact CG1-CG 4.27Å; I147-L151 WeakPolarHBondContact O-CG 3.46Å; I147-L151 PolarHBondContact O-N 3.03Å
148N94.9Very high92.1Very high0 Ų035.7 Ų35.70%018%0.183CC..Hα-helixtrans-57-48.6174.4174.871.3000111.5R144 R145 W146 A152 Y188 C193 L194 A339R144-N148 WeakPolarHBondContact O-CB 3.2Å; R144-N148 PolarHBondContact O-N 2.95Å; R145-N148 WeakPolarHBondContact O-CB 3.43Å; R145-N148 PolarHBondContact O-N 3.09Å; W146-N148 VanDerWaalsContact C-N 3.33Å; W146-N148 PolarHBondContact O-N 2.68Å; N148-A152 VanDerWaalsContact O-CB 3.28Å; N148-A152 WeakPolarHBondContact O-CB 3.37Å; N148-A152 PolarHBondContact O-N 3.49Å; N148-Y188 WeakPolarHBondContact CA-OH 3.1Å; N148-Y188 VanDerWaalsContact O-CE1 3.29Å; N148-Y188 WeakPolarHBondContact O-CE1 3.37Å; N148-Y188 PolarHBondContact O-OH 3.39Å; N148-Y188 WeakPolarHBondContact OD1-CE1 3.42Å; N148-Y188 PolarHBondContact OD1-OH 2.92Å; N148-C193 WeakPolarHBondContact OD1-CB 3.2Å; N148-L194 HydrophobicContact CB-CB 3.76Å; N148-L194 VanDerWaalsContact CG-CB 3.48Å; N148-L194 PolarHBondContact OD1-N 3.15Å; N148-A339 WeakPolarHBondContact ND2-CB 3.17Å
149S92.3Very high91.7Very high4 Ų441.5 Ų41.53%0.02822%0.222CC..Hα-helixtrans-69.1-36177.9177.10000112.5R145 W146 I147 S153 T423 R425R145-S149 WeakPolarHBondContact O-CB 3.28Å; R145-S149 PolarHBondContact O-N 3.23Å; W146-S149 PolarHBondContact O-N 3.41Å; I147-S149 VanDerWaalsContact C-N 3.35Å; I147-S149 PolarHBondContact O-N 3.19Å; S149-S153 WeakPolarHBondContact O-CB 3.28Å; S149-S153 PolarHBondContact O-N 3.48Å; S149-T423 PolarHBondContact OG-OG1 2.91Å; S149-R425 WeakPolarHBondContact OG-CD 3.27Å; S149-R425 WeakPolarHBondContact OG-CG 3.28Å
150M94.2Very high91.5Very high12 Ų1241 Ų416%0.05922%0.219CC..Hα-helixtrans-58.8-52.9174.4-179.269.1-8500110.9A125 Y128 W146 I147 S153 L154 P424A125-M150 HydrophobicContact CB-CE 3.84Å; Y128-M150 HydrophobicContact CD2-CG 3.46Å; Y128-M150 VanDerWaalsContact CD2-CG 3.46Å; Y128-M150 HydrophobicContact CD2-SD 3.77Å; Y128-M150 HydrophobicContact CE2-CG 3.71Å; Y128-M150 HydrophobicContact CE2-SD 4.03Å; Y128-M150 HydrophobicContact CG-CG 4Å; W146-M150 HydrophobicContact CE3-CB 4.24Å; W146-M150 HydrophobicContact CH2-CB 4.29Å; W146-M150 HydrophobicContact CH2-CG 4.13Å; W146-M150 HydrophobicContact CH2-SD 4.11Å; W146-M150 HydrophobicContact CZ3-CB 3.93Å; W146-M150 HydrophobicContact CZ3-CG 4.04Å; W146-M150 WeakPolarHBondContact O-CB 3.23Å; W146-M150 PolarHBondContact O-N 2.89Å; I147-M150 HydrophobicContact CD1-CB 4.41Å; I147-M150 PolarHBondContact O-N 2.78Å; M150-S153 WeakPolarHBondContact CE-OG 3.34Å; M150-S153 WeakPolarHBondContact O-CB 3.49Å; M150-S153 PolarHBondContact O-N 3.47Å; M150-S153 PolarHBondContact O-OG 3.31Å; M150-L154 HydrophobicContact CE-CD2 3.9Å; M150-L154 HydrophobicContact CE-CG 4.47Å; M150-L154 WeakPolarHBondContact O-CG 3.32Å; M150-P424 HydrophobicContact CB-CG 3.94Å; M150-P424 HydrophobicContact SD-CG 4.42Å
151L95.3Very high91.2Very high1 Ų140.9 Ų40.91%0.00523%0.225CC..Hα-helixtrans-68.5-39.2-178.9-64.1177.1000112.1V134 I147 S153 L154 I169 L171 Y188V134-L151 HydrophobicContact CB-CD1 3.92Å; V134-L151 HydrophobicContact CG1-CD1 4.32Å; V134-L151 HydrophobicContact CG2-CD1 3.93Å; V134-L151 HydrophobicContact CG2-CD2 4Å; I147-L151 HydrophobicContact CD1-CD1 4.42Å; I147-L151 HydrophobicContact CD1-CG 4.17Å; I147-L151 HydrophobicContact CG1-CD1 4.12Å; I147-L151 HydrophobicContact CG1-CG 4.27Å; I147-L151 WeakPolarHBondContact O-CG 3.46Å; I147-L151 PolarHBondContact O-N 3.03Å; L151-S153 PolarHBondContact O-N 3.06Å; L151-L154 HydrophobicContact CD2-CD1 4.04Å; L151-L154 WeakPolarHBondContact O-CB 3.4Å; L151-L154 PolarHBondContact O-N 2.89Å; L151-I169 HydrophobicContact CD2-CB 4.33Å; L151-I169 HydrophobicContact CD2-CG2 4.37Å; L151-L171 HydrophobicContact CD1-CB 3.82Å; L151-L171 HydrophobicContact CD1-CD1 4.23Å; L151-L171 HydrophobicContact CD1-CD2 4.44Å; L151-L171 HydrophobicContact CD1-CG 4.39Å; L151-Y188 HydrophobicContact CB-CD2 4.24Å; L151-Y188 HydrophobicContact CB-CE2 3.38Å; L151-Y188 WeakPolarHBondContact CB-OH 3.2Å; L151-Y188 HydrophobicContact CD1-CE2 4.18Å; L151-Y188 HydrophobicContact CG-CE2 4.43Å
152A92.9Very high91.1Very high7 Ų743.6 Ų43.66%0.05824%0.235CC..Hα-helixtrans-56.9-36172.500000112.3N148 L154 V155 Y188 A339N148-A152 VanDerWaalsContact O-CB 3.28Å; N148-A152 WeakPolarHBondContact O-CB 3.37Å; N148-A152 PolarHBondContact O-N 3.49Å; A152-L154 PolarHBondContact O-N 3.48Å; A152-V155 PolarHBondContact O-N 3.34Å; A152-Y188 HydrophobicContact CB-CD1 3.51Å; A152-Y188 HydrophobicContact CB-CE1 3.61Å; A152-Y188 HydrophobicContact CB-CG 4.38Å; A152-A339 HydrophobicContact CB-CB 4.43Å; A152-A339 WeakPolarHBondContact CB-O 3.48Å
153S90.1Very high91.1Very high48 Ų4842.4 Ų42.434%0.33623%0.228SC..THydrogen-bonded Turntrans-68-18.2178.8850000114.2S149 M150 L151S149-S153 WeakPolarHBondContact O-CB 3.28Å; S149-S153 PolarHBondContact O-N 3.48Å; M150-S153 WeakPolarHBondContact CE-OG 3.34Å; M150-S153 WeakPolarHBondContact O-CB 3.49Å; M150-S153 PolarHBondContact O-N 3.47Å; M150-S153 PolarHBondContact O-OG 3.31Å; L151-S153 PolarHBondContact O-N 3.06Å
154L91.7Very high91Very high12 Ų1243.6 Ų43.66%0.06323%0.233CC..THydrogen-bonded Turntrans-81.2-20.9-178-55.9-177.5000112.3A125 K129 M150 L151 A152 R156 I169A125-L154 HydrophobicContact CB-CD2 3.69Å; K129-L154 HydrophobicContact CD-CD2 4.46Å; K129-L154 HydrophobicContact CG-CD1 4.02Å; K129-L154 HydrophobicContact CG-CD2 3.99Å; K129-L154 HydrophobicContact CG-CG 4.49Å; M150-L154 HydrophobicContact CE-CD2 3.9Å; M150-L154 HydrophobicContact CE-CG 4.47Å; M150-L154 WeakPolarHBondContact O-CG 3.32Å; L151-L154 HydrophobicContact CD2-CD1 4.04Å; L151-L154 WeakPolarHBondContact O-CB 3.4Å; L151-L154 PolarHBondContact O-N 2.89Å; A152-L154 PolarHBondContact O-N 3.48Å; L154-R156 PolarHBondContact O-N 3.38Å; L154-I169 HydrophobicContact CD1-CD1 3.8Å
155V91Very high90.8Very high14 Ų1447.5 Ų47.59%0.08526%0.26CS..  trans-70127.7-175.8-175.60000110.5A152 Y157 P163 V168 Y188A152-V155 PolarHBondContact O-N 3.34Å; V155-Y157 HydrophobicContact CB-CE2 4.21Å; V155-Y157 HydrophobicContact CG1-CD2 4.23Å; V155-Y157 HydrophobicContact CG1-CE1 4.37Å; V155-Y157 HydrophobicContact CG1-CE2 3.79Å; V155-P163 HydrophobicContact CG1-CB 3.63Å; V155-V168 HydrophobicContact CG1-CG2 4.12Å; V155-V168 HydrophobicContact CG2-CG2 4.27Å; V155-Y188 VanDerWaalsContact CG2-CB 3.49Å; V155-Y188 HydrophobicContact CG2-CG 4.21Å
156R90Very high90.8Very high165 Ų16554 Ų5462%0.62330%0.295SS*.  trans-97.5143.7167.3-63-178179.5176.3-3.6108.6L154 P163 D164 T167L154-R156 PolarHBondContact O-N 3.38Å; R156-P163 CarbonylContact O-C 3.51Å; R156-D164 HydrophobicContact CB-CB 4.43Å; R156-D164 PolarHBondContact O-N 3.36Å; R156-T167 HydrophobicContact CB-CG2 4.06Å; R156-T167 HydrophobicContact CG-CG2 4.01Å; R156-T167 PolarHBondContact N-OG1 3.26Å
157Y87.3Confident90.8Very high88 Ų8854.2 Ų54.235%0.34530%0.299SS..BIsolated β-bridgetrans-110135.8176.5-69-90.9000109.3V155 G161 Q162 P163 C340V155-Y157 HydrophobicContact CB-CE2 4.21Å; V155-Y157 HydrophobicContact CG1-CD2 4.23Å; V155-Y157 HydrophobicContact CG1-CE1 4.37Å; V155-Y157 HydrophobicContact CG1-CE2 3.79Å; Y157-G161 WeakPolarHBondContact CD1-O 3.38Å; Y157-Q162 WeakPolarHBondContact CA-O 3.41Å; Y157-P163 HydrophobicContact CD1-CB 4.24Å; Y157-P163 HydrophobicContact CE1-CB 4.02Å; Y157-C340 PolarHBondContact OH-O 2.97Å
158N87.1Confident90.7Very high67 Ų6755.2 Ų55.236%0.35831%0.305SS..  trans-71.7165.2173.8-66.7-34.4000110.2D160 G161 Q162N158-D160 VanDerWaalsContact CB-OD1 3.22Å; N158-D160 WeakPolarHBondContact CB-OD1 3.19Å; N158-D160 PolarHBondContact O-N 2.72Å; N158-G161 PolarHBondContact O-N 3.42Å; N158-Q162 PolarHBondContact N-O 2.83Å
159P87Confident90.9Very high146 Ų14655.9 Ų55.995%0.94831%0.308SS*.THydrogen-bonded Turntrans-57.4-21.6178.8-27.336.1000115.2G161P159-G161 VanDerWaalsContact C-N 3.26Å
160D86.8Confident91.1Very high112 Ų11256.5 Ų56.560%0.59931%0.312SS*.THydrogen-bonded Turntrans-81.4-1.1174.763.43.9000113.7N158 Q162N158-D160 VanDerWaalsContact CB-OD1 3.22Å; N158-D160 WeakPolarHBondContact CB-OD1 3.19Å; N158-D160 PolarHBondContact O-N 2.72Å; D160-Q162 VanDerWaalsContact C-N 3.3Å; D160-Q162 PolarHBondContact O-N 3.02Å; D160-Q162 WeakPolarHBondContact OD1-CB 3.35Å; D160-Q162 PolarHBondContact OD1-N 2.75Å
161G83.1Confident91.3Very high44 Ų4456 Ų5645%0.45431%0.31SS..SBendtrans80.13.5-178.300000114.7Y157 N158 P159Y157-G161 WeakPolarHBondContact CD1-O 3.38Å; N158-G161 PolarHBondContact O-N 3.42Å; P159-G161 VanDerWaalsContact C-N 3.26Å
162Q87Confident91.5Very high104 Ų10456 Ų5649%0.48631%0.309SS..  trans-82.9144174.2-61.9-58.5-44.800110.9Y157 N158 D160Y157-Q162 WeakPolarHBondContact CA-O 3.41Å; N158-Q162 PolarHBondContact N-O 2.83Å; D160-Q162 VanDerWaalsContact C-N 3.3Å; D160-Q162 PolarHBondContact O-N 3.02Å; D160-Q162 WeakPolarHBondContact OD1-CB 3.35Å; D160-Q162 PolarHBondContact OD1-N 2.75Å
163P90Very high91.8Very high12 Ų1255.7 Ų55.78%0.07831%0.307CS..BIsolated β-bridgetrans-66.4137.9176.229.2-34.5000110.4V155 R156 Y157 P165 V168 L190V155-P163 HydrophobicContact CG1-CB 3.63Å; R156-P163 CarbonylContact O-C 3.51Å; Y157-P163 HydrophobicContact CD1-CB 4.24Å; Y157-P163 HydrophobicContact CE1-CB 4.02Å; P163-P165 VanDerWaalsContact O-CD 3.25Å; P163-P165 WeakPolarHBondContact O-CD 3.38Å; P163-V168 HydrophobicContact CB-CG2 3.86Å; P163-L190 HydrophobicContact CG-CD2 4.04Å; P163-L190 HydrophobicContact CG-CG 4.14Å
164D91.6Very high92.1Very high37 Ų3753.4 Ų53.420%0.19829%0.291CS..  trans-66.6112.1167.3174.42.4000108.1R156 N166 T167R156-D164 HydrophobicContact CB-CB 4.43Å; R156-D164 PolarHBondContact O-N 3.36Å; D164-N166 PolarHBondContact O-N 3.25Å; D164-N166 WeakPolarHBondContact OD1-CB 3.46Å; D164-N166 PolarHBondContact OD1-N 2.85Å; D164-N166 PolarHBondContact OD1-ND2 3.48Å; D164-T167 HydrophobicContact CB-CG2 4.19Å; D164-T167 PolarHBondContact O-N 3.01Å; D164-T167 PolarHBondContact O-OG1 3.48Å
165P91Very high92.3Very high95 Ų9553 Ų5362%0.61729%0.29SS*.G310 helixtrans-59.3-25.5-174.424.5-34.6000112.8P163 T167 V168P163-P165 VanDerWaalsContact O-CD 3.25Å; P163-P165 WeakPolarHBondContact O-CD 3.38Å; P165-T167 PolarHBondContact O-N 3.39Å; P165-V168 PolarHBondContact O-N 2.98Å
166N93.2Very high92.5Very high146 Ų14654.3 Ų54.378%0.78130%0.298SS*.G310 helixtrans-73.4-11178.6-57.3-67.7000113.5D164D164-N166 PolarHBondContact O-N 3.25Å; D164-N166 WeakPolarHBondContact OD1-CB 3.46Å; D164-N166 PolarHBondContact OD1-N 2.85Å; D164-N166 PolarHBondContact OD1-ND2 3.48Å
167T94.2Very high92.7Very high24 Ų2451.5 Ų51.515%0.14729%0.292CS..G310 helixtrans-106.3-9.8178.467.30000113.1R156 D164 P165 I169R156-T167 HydrophobicContact CB-CG2 4.06Å; R156-T167 HydrophobicContact CG-CG2 4.01Å; R156-T167 PolarHBondContact N-OG1 3.26Å; D164-T167 HydrophobicContact CB-CG2 4.19Å; D164-T167 PolarHBondContact O-N 3.01Å; D164-T167 PolarHBondContact O-OG1 3.48Å; P165-T167 PolarHBondContact O-N 3.39Å; T167-I169 PolarHBondContact O-N 3.05Å
168V95Very high93Very high22 Ų2247.9 Ų47.913%0.13328%0.282CS..  trans-82.8114.6177.9-179.90000108.7V155 P163 P165 P170 L187V155-V168 HydrophobicContact CG1-CG2 4.12Å; V155-V168 HydrophobicContact CG2-CG2 4.27Å; P163-V168 HydrophobicContact CB-CG2 3.86Å; P165-V168 PolarHBondContact O-N 2.98Å; V168-P170 WeakPolarHBondContact O-CD 3.23Å; V168-L187 HydrophobicContact CG1-CD2 4.41Å
169I97.7Very high93.4Very high14 Ų1449.7 Ų49.77%0.07229%0.286CS..  trans-98.2112.9170-57.1179000107.3Y128 V134 L151 L154 T167 L171Y128-I169 WeakPolarHBondContact O-CD1 3.33Å; V134-I169 HydrophobicContact CG2-CG2 3.97Å; L151-I169 HydrophobicContact CD2-CB 4.33Å; L151-I169 HydrophobicContact CD2-CG2 4.37Å; L154-I169 HydrophobicContact CD1-CD1 3.8Å; T167-I169 PolarHBondContact O-N 3.05Å; I169-L171 PolarHBondContact O-N 2.64Å
170P97.7Very high93.8Very high17 Ų1748.2 Ų48.211%0.1127%0.265CS..  trans-57.6135.9176.6-2333.1000111.6N132 A133 V134 V168 L187 L304N132-P170 VanDerWaalsContact O-CD 3.31Å; N132-P170 WeakPolarHBondContact O-CD 3.44Å; A133-P170 WeakPolarHBondContact CA-O 3.31Å; A133-P170 HydrophobicContact CB-CB 4.4Å; V134-P170 PolarHBondContact N-O 3.44Å; V168-P170 WeakPolarHBondContact O-CD 3.23Å; P170-L187 HydrophobicContact CB-CD2 3.73Å; P170-L187 HydrophobicContact CG-CD2 3.71Å; P170-L304 HydrophobicContact CB-CD1 4.06Å
171L98.4Very high94.3Very high1 Ų143.4 Ų43.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-110.3127.4170.6166.867.7000109.2V134 C136 L151 I169 V186 Y188V134-L171 HydrophobicContact CB-CD1 4.3Å; V134-L171 HydrophobicContact CG1-CD1 4.11Å; V134-L171 CarbonylContact O-C 3.59Å; V134-L171 WeakPolarHBondContact O-CA 3.27Å; C136-L171 HydrophobicContact CB-CD1 4.37Å; C136-L171 WeakPolarHBondContact SG-CD1 3.28Å; L151-L171 HydrophobicContact CD1-CB 3.82Å; L151-L171 HydrophobicContact CD1-CD1 4.23Å; L151-L171 HydrophobicContact CD1-CD2 4.44Å; L151-L171 HydrophobicContact CD1-CG 4.39Å; I169-L171 PolarHBondContact O-N 2.64Å; L171-V186 HydrophobicContact CB-CB 4.14Å; L171-V186 HydrophobicContact CD2-CG2 4.38Å; L171-V186 PolarHBondContact N-O 3.41Å; L171-V186 PolarHBondContact O-N 3.12Å; L171-Y188 HydrophobicContact CB-CE2 4.2Å; L171-Y188 VanDerWaalsContact CD2-OH 3.23Å; L171-Y188 WeakPolarHBondContact CD2-OH 3.43Å
172V98.6Very high95Very high0 Ų042.4 Ų42.40%023%0.225CC..EExtended strand (participates in β ladder)trans-114107169.3-177.70000108.3V134 V135 C136 V183 L184 V185 C297 E300 V301 L304V134-V172 PolarHBondContact O-N 2.91Å; V135-V172 CarbonylContact C-O 3.27Å; V135-V172 VanDerWaalsContact CA-O 3.26Å; V135-V172 WeakPolarHBondContact CA-O 3.4Å; V135-V172 HydrophobicContact CG1-CB 4.21Å; V135-V172 HydrophobicContact CG1-CG1 4.43Å; C136-V172 PolarHBondContact N-O 2.99Å; V172-V183 HydrophobicContact CG1-CG1 4.23Å; V172-L184 CarbonylContact C-O 3.51Å; V172-L184 WeakPolarHBondContact CA-O 3.36Å; V172-V185 HydrophobicContact CG1-CG2 4.44Å; V172-V185 HydrophobicContact CG2-CG2 4.33Å; V172-C297 HydrophobicContact CG1-CB 3.77Å; V172-E300 HydrophobicContact CG1-CB 4.41Å; V172-E300 HydrophobicContact CG2-CB 4.49Å; V172-V301 HydrophobicContact CB-CG2 4.05Å; V172-V301 HydrophobicContact CG1-CG2 4.45Å; V172-V301 HydrophobicContact CG2-CG2 3.78Å; V172-L304 HydrophobicContact CG2-CD1 3.57Å
173D98.4Very high95.5Very high1 Ų137.4 Ų37.41%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-97.8133.4177.6178.873.1000110.8C136 R144 H182 V183 L184C136-D173 HydrophobicContact CB-CB 4.39Å; C136-D173 WeakPolarHBondContact CB-OD1 3.44Å; R144-D173 IonicContact CZ-OD1 2.58Å; R144-D173 IonicContact NE-OD1 2.88Å; R144-D173 PolarHBondContact NE-OD1 2.88Å; R144-D173 IonicContact NE-OD2 2.81Å; R144-D173 PolarHBondContact NE-OD2 2.93Å; D173-H182 IonicContact OD2-CD2 2.83Å; D173-H182 IonicContact OD2-CE1 3.42Å; D173-H182 IonicContact OD2-NE2 3.56Å; D173-H182 PolarHBondContact OD2-NE2 2.99Å; D173-V183 CarbonylContact O-C 3.46Å; D173-V183 WeakPolarHBondContact O-CA 3.4Å; D173-L184 HydrophobicContact CB-CB 4.33Å; D173-L184 PolarHBondContact N-O 3.07Å; D173-L184 PolarHBondContact O-N 3.34Å
174G98Very high95.9Very high0 Ų036.9 Ų36.90%020%0.198CC..EExtended strand (participates in β ladder)trans-116.5142.6167.900000111.3L52 C136 R144 H182L52-G174 VanDerWaalsContact CD2-C 3.45Å; L52-G174 VanDerWaalsContact CD2-O 3.3Å; L52-G174 WeakPolarHBondContact CD2-O 3.42Å; C136-G174 PolarHBondContact O-N 3.16Å; R144-G174 PolarHBondContact NH2-O 3.14Å; G174-H182 WeakPolarHBondContact CA-O 3.5Å
175G96.1Very high96.2Very high4 Ų435.2 Ų35.24%0.04119%0.189CC..EExtended strand (participates in β ladder)trans-132.7148170.600000112.2G181 H182G175-G181 CarbonylContact O-C 3.5Å; G175-G181 WeakPolarHBondContact O-CA 3.43Å; G175-H182 VanDerWaalsContact CA-CE1 3.46Å; G175-H182 WeakPolarHBondContact CA-CE1 3.38Å; G175-H182 PolarHBondContact N-O 3.14Å; G175-H182 PolarHBondContact O-N 2.97Å
176T95.6Very high96.4Very high41 Ų4130.7 Ų30.725%0.25216%0.16SC..EExtended strand (participates in β ladder)trans-138.6138.5179.759.20000111L52 T289 N290 I293L52-T176 HydrophobicContact CD1-CG2 4.38Å; T176-T289 HydrophobicContact CG2-CG2 4.15Å; T176-N290 PolarHBondContact OG1-OD1 3.26Å; T176-I293 HydrophobicContact CG2-CB 3.95Å; T176-I293 HydrophobicContact CG2-CG1 3.76Å; T176-I293 HydrophobicContact CG2-CG2 4.32Å
177E92.9Very high96.5Very high106 Ų10624.4 Ų24.450%0.49513%0.126SC..EExtended strand (participates in β ladder)trans-148.4112.5172.4171165.9-17200109F179 K180 I283E177-F179 PolarHBondContact O-N 3.36Å; E177-K180 PolarHBondContact N-O 2.71Å; E177-K180 PolarHBondContact O-N 3.09Å; E177-I283 HydrophobicContact CB-CG2 3.9Å; E177-I283 HydrophobicContact CG-CG2 3.64Å
178G93.1Very high96.4Very high13 Ų1323.3 Ų23.313%0.13412%0.12CC..BIsolated β-bridgetrans54.1-113.2-176.500000111.7P284 T289G178-P284 WeakPolarHBondContact CA-O 3.03Å; G178-P284 PolarHBondContact N-O 3.33Å; G178-T289 WeakPolarHBondContact O-CB 3.17Å; G178-T289 PolarHBondContact O-OG1 2.75Å
179F95.8Very high95.9Very high104 Ų10422.4 Ų22.446%0.45612%0.115SC..THydrogen-bonded Turntrans-102.521.4-178.8-66.2-59.2000112.5E177 V286 S319 D320 I321E177-F179 PolarHBondContact O-N 3.36Å; F179-V286 HydrophobicContact CD1-CG2 4.33Å; F179-V286 HydrophobicContact CE1-CG2 4.16Å; F179-S319 WeakPolarHBondContact O-CA 3.17Å; F179-D320 VanDerWaalsContact C-OD1 3.23Å; F179-D320 WeakPolarHBondContact CA-OD1 3.36Å; F179-D320 WeakPolarHBondContact CB-OD1 3.31Å; F179-D320 WeakPolarHBondContact CD1-OD1 3.36Å; F179-D320 PolarHBondContact O-N 3.19Å; F179-I321 HydrophobicContact CB-CG1 3.65Å
180K96.6Very high95.5Very high116 Ų11626.6 Ų26.650%0.50414%0.137SC..EExtended strand (participates in β ladder)trans-130.8155.1178.8-61.5-177.3-176.7179.60110.1E177 T289 F318 I321E177-K180 PolarHBondContact N-O 2.71Å; E177-K180 PolarHBondContact O-N 3.09Å; K180-T289 VanDerWaalsContact O-CG2 3.3Å; K180-T289 WeakPolarHBondContact O-CG2 3.25Å; K180-F318 VanDerWaalsContact CA-O 3.29Å; K180-F318 WeakPolarHBondContact CA-O 3.28Å; K180-I321 HydrophobicContact CD-CD1 4.3Å; K180-I321 HydrophobicContact CG-CD1 4.1Å
181G96.6Very high95.2Very high10 Ų1026.8 Ų26.810%0.10314%0.137CC..EExtended strand (participates in β ladder)trans-166.2177.7171.300000112.3G175 N317 F318G175-G181 CarbonylContact O-C 3.5Å; G175-G181 WeakPolarHBondContact O-CA 3.43Å; G181-N317 CarbonylContact O-C 3.58Å; G181-F318 PolarHBondContact N-O 3.4Å; G181-F318 PolarHBondContact O-N 2.84Å
182H97.1Very high95Very high23 Ų2326.8 Ų26.811%0.10614%0.138CC..EExtended strand (participates in β ladder)trans-146.3159.7177.171.3-87.9000112D173 G174 G175 I293 Y315 M316D173-H182 IonicContact OD2-CD2 2.83Å; D173-H182 IonicContact OD2-CE1 3.42Å; D173-H182 IonicContact OD2-NE2 3.56Å; D173-H182 PolarHBondContact OD2-NE2 2.99Å; G174-H182 WeakPolarHBondContact CA-O 3.5Å; G175-H182 VanDerWaalsContact CA-CE1 3.46Å; G175-H182 WeakPolarHBondContact CA-CE1 3.38Å; G175-H182 PolarHBondContact N-O 3.14Å; G175-H182 PolarHBondContact O-N 2.97Å; H182-I293 VanDerWaalsContact O-CG2 3.29Å; H182-I293 WeakPolarHBondContact O-CG2 3.46Å; H182-Y315 HydrophobicContact CB-CE1 3.95Å; H182-Y315 HydrophobicContact CB-CE2 4.24Å; H182-Y315 WeakPolarHBondContact CB-OH 3.5Å; H182-Y315 AromaticContact CD2-CE2 3.96Å; H182-Y315 AromaticContact CG-CZ 3.94Å; H182-M316 CarbonylContact C-O 3.49Å; H182-M316 WeakPolarHBondContact CA-O 3.44Å
183V98Very high94.7Very high0 Ų026.8 Ų26.80%014%0.138CC..EExtended strand (participates in β ladder)trans-126.1134.5167.4-178.80000108V172 D173 V185 I293 A296 L312 Y315 M316V172-V183 HydrophobicContact CG1-CG1 4.23Å; D173-V183 CarbonylContact O-C 3.46Å; D173-V183 WeakPolarHBondContact O-CA 3.4Å; V183-V185 HydrophobicContact CG1-CG2 4.48Å; V183-I293 HydrophobicContact CG2-CD1 4.34Å; V183-I293 HydrophobicContact CG2-CG2 4.04Å; V183-A296 HydrophobicContact CG2-CB 3.76Å; V183-L312 HydrophobicContact CB-CD2 4.21Å; V183-L312 HydrophobicContact CG1-CD2 4Å; V183-Y315 CarbonylContact O-C 3.6Å; V183-Y315 WeakPolarHBondContact O-CA 3.42Å; V183-M316 HydrophobicContact CB-CB 4.47Å; V183-M316 HydrophobicContact CB-CE 4.4Å; V183-M316 HydrophobicContact CG2-CE 3.85Å; V183-M316 PolarHBondContact N-O 2.86Å; V183-M316 PolarHBondContact O-N 3.31Å
184L97.5Very high94.4Very high1 Ų126.7 Ų26.71%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-127.2125.8174.5173.873.5000109.1V172 D173 V186 L194 T197 N314 Y315V172-L184 CarbonylContact C-O 3.51Å; V172-L184 WeakPolarHBondContact CA-O 3.36Å; D173-L184 HydrophobicContact CB-CB 4.33Å; D173-L184 PolarHBondContact N-O 3.07Å; D173-L184 PolarHBondContact O-N 3.34Å; L184-V186 HydrophobicContact CD1-CG2 4.31Å; L184-V186 HydrophobicContact CD2-CG2 3.74Å; L184-V186 HydrophobicContact CG-CG2 3.72Å; L184-L194 HydrophobicContact CD2-CB 4.14Å; L184-L194 HydrophobicContact CD2-CD1 4.36Å; L184-L194 HydrophobicContact CD2-CG 4.33Å; L184-T197 HydrophobicContact CD1-CG2 4.23Å; L184-N314 CarbonylContact C-O 3.54Å; L184-N314 VanDerWaalsContact CA-O 3.32Å; L184-N314 WeakPolarHBondContact CA-O 3.28Å; L184-N314 WeakPolarHBondContact CD1-OD1 3.36Å; L184-Y315 HydrophobicContact CB-CD2 4.09Å; L184-Y315 HydrophobicContact CB-CE2 4.41Å; L184-Y315 HydrophobicContact CD1-CD2 3.78Å; L184-Y315 HydrophobicContact CG-CD2 4.49Å
185V97.9Very high94.1Very high1 Ų127.4 Ų27.41%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-108.8111.6176.2176.60000109.3V172 V183 T191 E300 L304 L312 N314V172-V185 HydrophobicContact CG1-CG2 4.44Å; V172-V185 HydrophobicContact CG2-CG2 4.33Å; V183-V185 HydrophobicContact CG1-CG2 4.48Å; V185-T191 PolarHBondContact O-OG1 3.02Å; V185-E300 HydrophobicContact CG2-CB 3.91Å; V185-E300 HydrophobicContact CG2-CG 3.99Å; V185-L304 HydrophobicContact CG1-CD1 3.88Å; V185-L304 HydrophobicContact CG1-CD2 4.23Å; V185-L312 HydrophobicContact CG2-CB 4.15Å; V185-L312 HydrophobicContact CG2-CD2 4.26Å; V185-N314 PolarHBondContact N-O 3.15Å; V185-N314 PolarHBondContact O-OD1 3.29Å; V185-N314 VanDerWaalsContact O-OD1 3.11Å
186V96.5Very high93.8Very high0 Ų027.7 Ų27.70%014%0.142CC..EExtended strand (participates in β ladder)trans-107.9119.1-177.3-174.80000110.6L171 L184 Y188 T191 C193L171-V186 HydrophobicContact CB-CB 4.14Å; L171-V186 HydrophobicContact CD2-CG2 4.38Å; L171-V186 PolarHBondContact N-O 3.41Å; L171-V186 PolarHBondContact O-N 3.12Å; L184-V186 HydrophobicContact CD1-CG2 4.31Å; L184-V186 HydrophobicContact CD2-CG2 3.74Å; L184-V186 HydrophobicContact CG-CG2 3.72Å; V186-Y188 HydrophobicContact CG1-CD1 3.94Å; V186-Y188 HydrophobicContact CG1-CD2 4.27Å; V186-Y188 HydrophobicContact CG1-CE1 3.72Å; V186-Y188 HydrophobicContact CG1-CE2 4.05Å; V186-Y188 HydrophobicContact CG1-CG 4.19Å; V186-T191 WeakPolarHBondContact CA-OG1 3.24Å; V186-C193 HydrophobicContact CG1-CB 3.61Å
187L94.6Very high93.5Very high15 Ų1525.9 Ų25.98%0.07913%0.131CC..  trans-112.5100.4164.4-65.2177.9000107.6V168 P170 G189 L190 T191 L304 Y311V168-L187 HydrophobicContact CG1-CD2 4.41Å; P170-L187 HydrophobicContact CB-CD2 3.73Å; P170-L187 HydrophobicContact CG-CD2 3.71Å; L187-G189 PolarHBondContact O-N 3.1Å; L187-L190 HydrophobicContact CB-CB 4.11Å; L187-L190 HydrophobicContact CB-CD1 4.34Å; L187-L190 WeakPolarHBondContact O-CA 3.35Å; L187-L190 PolarHBondContact O-N 3Å; L187-T191 HydrophobicContact CB-CG2 4.25Å; L187-T191 PolarHBondContact N-OG1 3.09Å; L187-T191 PolarHBondContact O-N 3.22Å; L187-L304 HydrophobicContact CD1-CD2 4.36Å; L187-L304 HydrophobicContact CD2-CD2 4.13Å; L187-Y311 HydrophobicContact CD1-CE1 4.21Å; L187-Y311 HydrophobicContact CD1-CE2 3.87Å; L187-Y311 VanDerWaalsContact CD1-OH 3.26Å; L187-Y311 WeakPolarHBondContact CD1-OH 3.02Å
188Y92Very high93.2Very high1 Ų121 Ų210%0.00411%0.108CC..THydrogen-bonded Turntrans-57.9130.9-173.7-64.1-81.4000112.1N148 L151 A152 V155 L171 V186 L190 C193N148-Y188 WeakPolarHBondContact CA-OH 3.1Å; N148-Y188 VanDerWaalsContact O-CE1 3.29Å; N148-Y188 WeakPolarHBondContact O-CE1 3.37Å; N148-Y188 PolarHBondContact O-OH 3.39Å; N148-Y188 WeakPolarHBondContact OD1-CE1 3.42Å; N148-Y188 PolarHBondContact OD1-OH 2.92Å; L151-Y188 HydrophobicContact CB-CD2 4.24Å; L151-Y188 HydrophobicContact CB-CE2 3.38Å; L151-Y188 WeakPolarHBondContact CB-OH 3.2Å; L151-Y188 HydrophobicContact CD1-CE2 4.18Å; L151-Y188 HydrophobicContact CG-CE2 4.43Å; A152-Y188 HydrophobicContact CB-CD1 3.51Å; A152-Y188 HydrophobicContact CB-CE1 3.61Å; A152-Y188 HydrophobicContact CB-CG 4.38Å; V155-Y188 VanDerWaalsContact CG2-CB 3.49Å; V155-Y188 HydrophobicContact CG2-CG 4.21Å; L171-Y188 HydrophobicContact CB-CE2 4.2Å; L171-Y188 VanDerWaalsContact CD2-OH 3.23Å; L171-Y188 WeakPolarHBondContact CD2-OH 3.43Å; V186-Y188 HydrophobicContact CG1-CD1 3.94Å; V186-Y188 HydrophobicContact CG1-CD2 4.27Å; V186-Y188 HydrophobicContact CG1-CE1 3.72Å; V186-Y188 HydrophobicContact CG1-CE2 4.05Å; V186-Y188 HydrophobicContact CG1-CG 4.19Å; Y188-L190 VanDerWaalsContact C-N 3.26Å; Y188-L190 PolarHBondContact O-N 3.04Å; Y188-C193 HydrophobicContact CD1-CB 4.41Å; Y188-C193 HydrophobicContact CE1-CB 4.19Å
189G85.9Confident92.7Very high3 Ų324.9 Ų24.93%0.03113%0.126CC..THydrogen-bonded Turntrans86.6-15.3-174.100000114.1L187 R333L187-G189 PolarHBondContact O-N 3.1Å; G189-R333 PolarHBondContact O-NH1 3.08Å
190L88.6Confident92.3Very high102 Ų10224.4 Ų24.453%0.53413%0.127SC..THydrogen-bonded Turntrans-112.5-48.4-179.6-58.8178.5000112.5P163 L187 Y188P163-L190 HydrophobicContact CG-CD2 4.04Å; P163-L190 HydrophobicContact CG-CG 4.14Å; L187-L190 HydrophobicContact CB-CB 4.11Å; L187-L190 HydrophobicContact CB-CD1 4.34Å; L187-L190 WeakPolarHBondContact O-CA 3.35Å; L187-L190 PolarHBondContact O-N 3Å; Y188-L190 VanDerWaalsContact C-N 3.26Å; Y188-L190 PolarHBondContact O-N 3.04Å
191T92.2Very high91.7Very high20 Ų2021.1 Ų21.112%0.12311%0.112CC..SBendtrans-108161.7-178.970.10000111.9V185 V186 L187 C193V185-T191 PolarHBondContact O-OG1 3.02Å; V186-T191 WeakPolarHBondContact CA-OG1 3.24Å; L187-T191 HydrophobicContact CB-CG2 4.25Å; L187-T191 PolarHBondContact N-OG1 3.09Å; L187-T191 PolarHBondContact O-N 3.22Å; T191-C193 PolarHBondContact O-N 3.26Å
192G92.3Very high90.9Very high1 Ų125 Ų251%0.0114%0.135CC..  trans-61.7128.4167.900000110.6N314 V331G192-N314 PolarHBondContact N-ND2 3.46Å; G192-N314 PolarHBondContact O-ND2 3.03Å; G192-N314 PolarHBondContact O-OD1 3.26Å; G192-V331 PolarHBondContact N-O 3.44Å
193C93.7Very high89.9Confident0 Ų029.2 Ų29.20%017%0.165CC..  trans-89.1-176.3-178.876.80000112.1N148 V186 Y188 T191 E195 C196 T197N148-C193 WeakPolarHBondContact OD1-CB 3.2Å; V186-C193 HydrophobicContact CG1-CB 3.61Å; Y188-C193 HydrophobicContact CD1-CB 4.41Å; Y188-C193 HydrophobicContact CE1-CB 4.19Å; T191-C193 PolarHBondContact O-N 3.26Å; C193-E195 PolarHBondContact O-N 2.7Å; C193-C196 WeakPolarHBondContact O-CA 3.2Å; C193-C196 VanDerWaalsContact O-CB 3.28Å; C193-C196 WeakPolarHBondContact O-CB 3.28Å; C193-C196 PolarHBondContact O-N 3.15Å; C193-T197 PolarHBondContact O-N 3.24Å
194L92.5Very high88.7Confident0 Ų034.2 Ų34.20%020%0.197CC..G310 helixtrans-58.7-37.2-179-161.9137.3000112.8R144 R145 N148 L184 C196 T197 L198 Y201R144-L194 HydrophobicContact CB-CD1 3.59Å; R144-L194 HydrophobicContact CB-CD2 3.96Å; R144-L194 HydrophobicContact CB-CG 4.43Å; R144-L194 HydrophobicContact CG-CD1 4.03Å; R145-L194 HydrophobicContact CG-CD2 3.85Å; N148-L194 HydrophobicContact CB-CB 3.76Å; N148-L194 VanDerWaalsContact CG-CB 3.48Å; N148-L194 PolarHBondContact OD1-N 3.15Å; L184-L194 HydrophobicContact CD2-CB 4.14Å; L184-L194 HydrophobicContact CD2-CD1 4.36Å; L184-L194 HydrophobicContact CD2-CG 4.33Å; L194-C196 VanDerWaalsContact C-N 3.27Å; L194-C196 PolarHBondContact O-N 2.75Å; L194-T197 CarbonylContact O-C 3.55Å; L194-T197 PolarHBondContact O-N 3.33Å; L194-T197 PolarHBondContact O-OG1 3.28Å; L194-L198 HydrophobicContact CD2-CD2 4.27Å; L194-L198 PolarHBondContact O-N 3.33Å; L194-Y201 HydrophobicContact CD2-CE2 4.46Å
195E89.8Confident87.7Confident15 Ų1538.9 Ų38.97%0.0723%0.226CC..G310 helixtrans-64.9-31.9177-155.773-173.900112R145 C193 T197 L198 L338 A339R145-E195 IonicContact CZ-OE1 2.7Å; R145-E195 IonicContact CZ-OE2 3.93Å; R145-E195 IonicContact NE-OE1 3.57Å; R145-E195 PolarHBondContact NE-OE1 3.41Å; R145-E195 IonicContact NE-OE2 3.17Å; R145-E195 PolarHBondContact NE-OE2 3.11Å; R145-E195 VanDerWaalsContact NE-OE2 3.15Å; R145-E195 IonicContact NH2-OE1 2.75Å; R145-E195 PolarHBondContact NH2-OE1 3.4Å; R145-E195 IonicContact NH2-OE2 3.06Å; C193-E195 PolarHBondContact O-N 2.7Å; E195-T197 PolarHBondContact O-N 3.33Å; E195-L198 HydrophobicContact CG-CD1 4.1Å; E195-L198 PolarHBondContact O-N 2.81Å; E195-L198 VanDerWaalsContact OE1-CD1 3.28Å; E195-L198 WeakPolarHBondContact OE1-CD1 3.31Å; E195-L338 HydrophobicContact CG-CB 4.32Å; E195-A339 HydrophobicContact CB-CB 3.88Å; E195-A339 HydrophobicContact CG-CB 4.32Å
196C90.5Very high86.8Confident9 Ų945.3 Ų45.36%0.06126%0.26CS..G310 helixtrans-67.4-22.8173.6-61.60000112.2C193 L194 V331 K334 C337C193-C196 WeakPolarHBondContact O-CA 3.2Å; C193-C196 VanDerWaalsContact O-CB 3.28Å; C193-C196 WeakPolarHBondContact O-CB 3.28Å; C193-C196 PolarHBondContact O-N 3.15Å; L194-C196 VanDerWaalsContact C-N 3.27Å; L194-C196 PolarHBondContact O-N 2.75Å; C196-V331 HydrophobicContact CB-CG1 4.11Å; C196-K334 HydrophobicContact CB-CG 4.21Å; C196-K334 VanDerWaalsContact O-CE 3.26Å; C196-K334 WeakPolarHBondContact O-CE 3.18Å; C196-C337 VanDerWaalsContact SG-SG 3.61Å
197T90.2Very high86.2Confident4 Ų447.7 Ų47.73%0.02527%0.271CS..G310 helixtrans-1006.7-178.958.10000114.9L184 C193 L194 E195 D199 L200 V331L184-T197 HydrophobicContact CD1-CG2 4.23Å; C193-T197 PolarHBondContact O-N 3.24Å; L194-T197 CarbonylContact O-C 3.55Å; L194-T197 PolarHBondContact O-N 3.33Å; L194-T197 PolarHBondContact O-OG1 3.28Å; E195-T197 PolarHBondContact O-N 3.33Å; T197-D199 PolarHBondContact O-N 3.11Å; T197-D199 VanDerWaalsContact O-N 3.16Å; T197-L200 HydrophobicContact CG2-CD1 4.03Å; T197-L200 VanDerWaalsContact O-CB 3.28Å; T197-L200 WeakPolarHBondContact O-CB 3.37Å; T197-L200 PolarHBondContact O-N 2.57Å; T197-V331 HydrophobicContact CG2-CB 4.11Å; T197-V331 HydrophobicContact CG2-CG1 3.56Å; T197-V331 HydrophobicContact CG2-CG2 3.62Å
198L85.9Confident85.8Confident3 Ų350.5 Ų50.52%0.01629%0.29CS..G310 helixtrans-56.9-36-174.4-75.8178.8000114.1V141 R145 L194 E195 L200 Y201V141-L198 HydrophobicContact CG1-CD2 4.1Å; R145-L198 HydrophobicContact CG-CD2 3.89Å; L194-L198 HydrophobicContact CD2-CD2 4.27Å; L194-L198 PolarHBondContact O-N 3.33Å; E195-L198 HydrophobicContact CG-CD1 4.1Å; E195-L198 PolarHBondContact O-N 2.81Å; E195-L198 VanDerWaalsContact OE1-CD1 3.28Å; E195-L198 WeakPolarHBondContact OE1-CD1 3.31Å; L198-L200 PolarHBondContact O-N 2.83Å; L198-L200 VanDerWaalsContact O-N 3.16Å; L198-Y201 HydrophobicContact CD2-CD2 4.3Å; L198-Y201 HydrophobicContact CD2-CE2 4.36Å; L198-Y201 PolarHBondContact O-N 3.06Å; L198-Y201 VanDerWaalsContact O-N 3.11Å
199D83.6Confident85.7Confident94 Ų9455.3 Ų55.350%0.50332%0.315SS..G310 helixtrans-68.3-12.3179.1-53.3-41.2000113.3T197 K334T197-D199 PolarHBondContact O-N 3.11Å; T197-D199 VanDerWaalsContact O-N 3.16Å; D199-K334 IonicContact OD2-NZ 2.61Å; D199-K334 PolarHBondContact OD2-NZ 2.79Å
200L86.1Confident85.8Confident94 Ų9459 Ų5949%0.49234%0.34SS..G310 helixtrans-82.1-16.9175-57.5-177.5000112.6T197 L198 Y315 F329T197-L200 HydrophobicContact CG2-CD1 4.03Å; T197-L200 VanDerWaalsContact O-CB 3.28Å; T197-L200 WeakPolarHBondContact O-CB 3.37Å; T197-L200 PolarHBondContact O-N 2.57Å; L198-L200 PolarHBondContact O-N 2.83Å; L198-L200 VanDerWaalsContact O-N 3.16Å; L200-Y315 HydrophobicContact CD1-CE2 4.38Å; L200-F329 HydrophobicContact CD1-CZ 4.1Å
201Y84.5Confident86Confident48 Ų4854.7 Ų54.719%0.18832%0.318CS..SBendtrans-71.9137.1173.9-73.5-86.1000109.9V141 R144 L194 L198V141-Y201 HydrophobicContact CG2-CD1 3.63Å; V141-Y201 HydrophobicContact CG2-CE1 3.77Å; V141-Y201 HydrophobicContact CG2-CG 4.13Å; R144-Y201 WeakPolarHBondContact CD-OH 3.36Å; L194-Y201 HydrophobicContact CD2-CE2 4.46Å; L198-Y201 HydrophobicContact CD2-CD2 4.3Å; L198-Y201 HydrophobicContact CD2-CE2 4.36Å; L198-Y201 PolarHBondContact O-N 3.06Å; L198-Y201 VanDerWaalsContact O-N 3.11Å
202P80.5Confident86Confident91 Ų9154 Ų5459%0.59131%0.313SS*.PPolyproline II helixtrans-61.7143.9175.226.8-33.6000109.9
203P75.8Confident86Confident111 Ų11154.9 Ų54.972%0.72132%0.321SS*.PPolyproline II helixtrans-60.8139.2176.425.8-33.6000109.7T205P203-T205 PolarHBondContact O-N 3Å
204P72.9Confident85.9Confident106 Ų10661.7 Ų61.769%0.68835%0.352SS*.PPolyproline II helixtrans-61.2134.2177.525.3-33.2000110N206P204-N206 PolarHBondContact O-N 3.16Å; P204-N206 VanDerWaalsContact O-N 3.08Å
205T76Confident86Confident98 Ų9865.5 Ų65.560%0.60138%0.375SS*.  trans-65.4113.7175-44.70000109.4P203 F207P203-T205 PolarHBondContact O-N 3Å; T205-F207 HydrophobicContact CG2-CE1 4.24Å; T205-F207 HydrophobicContact CG2-CE2 4.16Å; T205-F207 HydrophobicContact CG2-CZ 3.88Å
206N78.8Confident86.3Confident137 Ų13765.2 Ų65.273%0.73338%0.375SS*.  trans-129.8118.9177.2-158.77.9000109.4P204P204-N206 PolarHBondContact O-N 3.16Å; P204-N206 VanDerWaalsContact O-N 3.08Å
207F84Confident86.5Confident49 Ų4972.8 Ų72.822%0.21540%0.402CS..  trans-88.7131.1-179.9-59.8-74.3000109.8T205 L209 I212 E220 H221 E224T205-F207 HydrophobicContact CG2-CE1 4.24Å; T205-F207 HydrophobicContact CG2-CE2 4.16Å; T205-F207 HydrophobicContact CG2-CZ 3.88Å; F207-L209 PolarHBondContact O-N 2.99Å; F207-I212 HydrophobicContact CB-CD1 3.86Å; F207-I212 HydrophobicContact CB-CG1 3.87Å; F207-I212 WeakPolarHBondContact O-CD1 3.32Å; F207-E220 HydrophobicContact CE2-CB 4.18Å; F207-E220 HydrophobicContact CZ-CB 3.94Å; F207-H221 AromaticContact CD1-CD2 3.48Å; F207-H221 VanDerWaalsContact CD1-CD2 3.48Å; F207-H221 WeakPolarHBondContact CD1-CD2 3.36Å; F207-H221 AromaticContact CD1-NE2 3.34Å; F207-H221 VanDerWaalsContact CD1-NE2 3.34Å; F207-H221 WeakPolarHBondContact CD1-NE2 3.44Å; F207-H221 AromaticContact CE1-CD2 3.69Å; F207-H221 AromaticContact CE1-NE2 3.53Å; F207-H221 AromaticContact CG-CD2 3.95Å; F207-E224 HydrophobicContact CD2-CG 3.84Å; F207-E224 HydrophobicContact CE2-CG 4.12Å
208P87Confident86.8Confident75 Ų7576.5 Ų76.549%0.48742%0.422SS..  trans-59.6136.5178.1-25.234.3000112.5C210 T211 I212P208-C210 VanDerWaalsContact C-N 3.26Å; P208-C210 PolarHBondContact O-N 3.06Å; P208-T211 WeakPolarHBondContact O-CA 3.4Å; P208-T211 WeakPolarHBondContact O-CB 3.43Å; P208-T211 PolarHBondContact O-N 2.82Å; P208-I212 PolarHBondContact O-N 3.01Å; P208-I212 VanDerWaalsContact O-N 3.08Å
209L87.9Confident87.4Confident101 Ų10177.4 Ų77.453%0.52943%0.428SS..Hα-helixtrans-58.3-36.4-177-170.966.1000112.8F207 T211 I212 A213 L229F207-L209 PolarHBondContact O-N 2.99Å; L209-T211 VanDerWaalsContact C-N 3.3Å; L209-T211 PolarHBondContact O-N 3.3Å; L209-I212 PolarHBondContact O-N 3.48Å; L209-A213 WeakPolarHBondContact O-CB 3.29Å; L209-A213 PolarHBondContact O-N 3.38Å; L209-L229 HydrophobicContact CD1-CD1 4.2Å; L209-L229 HydrophobicContact CD1-CD2 4.13Å; L209-L229 HydrophobicContact CD1-CG 4.37Å
210C89.2Confident88Confident81 Ų8175.6 Ų75.655%0.54742%0.416SS..Hα-helixtrans-61.4-38175.5590000112.5P208 H214P208-C210 VanDerWaalsContact C-N 3.26Å; P208-C210 PolarHBondContact O-N 3.06Å; C210-H214 PolarHBondContact O-N 3.1Å
211T92.4Very high88.5Confident12 Ų1271.6 Ų71.67%0.07440%0.395CS..Hα-helixtrans-69.8-44.7176.9-66.10000110.5P208 L209 T215 P216 H221P208-T211 WeakPolarHBondContact O-CA 3.4Å; P208-T211 WeakPolarHBondContact O-CB 3.43Å; P208-T211 PolarHBondContact O-N 2.82Å; L209-T211 VanDerWaalsContact C-N 3.3Å; L209-T211 PolarHBondContact O-N 3.3Å; T211-T215 CarbonylContact O-C 3.59Å; T211-T215 PolarHBondContact O-N 2.9Å; T211-P216 WeakPolarHBondContact O-CA 3.39Å; T211-H221 VanDerWaalsContact CG2-CE1 3.47Å; T211-H221 WeakPolarHBondContact CG2-CE1 3.2Å; T211-H221 WeakPolarHBondContact CG2-ND1 3.07Å
212I92.1Very high89.1Confident4 Ų469.3 Ų69.32%0.02139%0.386CS..Hα-helixtrans-60.8-46.8176.7-64.3165.1000110.8F207 P208 L209 E224 Y225 I228 L229 R261F207-I212 HydrophobicContact CB-CD1 3.86Å; F207-I212 HydrophobicContact CB-CG1 3.87Å; F207-I212 WeakPolarHBondContact O-CD1 3.32Å; P208-I212 PolarHBondContact O-N 3.01Å; P208-I212 VanDerWaalsContact O-N 3.08Å; L209-I212 PolarHBondContact O-N 3.48Å; I212-E224 HydrophobicContact CD1-CB 4.26Å; I212-E224 HydrophobicContact CG1-CB 4.34Å; I212-Y225 HydrophobicContact CG2-CD2 4.32Å; I212-Y225 HydrophobicContact CG2-CG 4.49Å; I212-I228 HydrophobicContact CD1-CD1 4.05Å; I212-L229 HydrophobicContact CG2-CD1 4.35Å; I212-R261 PolarHBondContact O-NH2 2.99Å
213A92.1Very high89.9Confident21 Ų2165 Ų6517%0.17436%0.358CS..Hα-helixtrans-78.2-38.4-171.200000114.1L209 L229 R261L209-A213 WeakPolarHBondContact O-CB 3.29Å; L209-A213 PolarHBondContact O-N 3.38Å; A213-L229 HydrophobicContact CB-CD1 4.09Å; A213-R261 PolarHBondContact O-NH2 3.06Å
214H92.8Very high90.8Very high143 Ų14360.1 Ų60.166%0.66233%0.326SS*.THydrogen-bonded Turntrans-124.1-32.7-167.7-60.6-61.4000114.8C210 P216 F265C210-H214 PolarHBondContact O-N 3.1Å; H214-P216 VanDerWaalsContact C-CD 3.47Å; H214-F265 WeakPolarHBondContact O-CE1 3.48Å
215T94.6Very high92Very high79 Ų7957.2 Ų57.249%0.48530%0.301SS..  trans-132.159.9-174.862.70000112T211T211-T215 CarbonylContact O-C 3.59Å; T211-T215 PolarHBondContact O-N 2.9Å
216P95.5Very high93Very high10 Ų1052.5 Ų52.57%0.06527%0.272CS..  trans-63.6149.7174.830.9-36.6000109.6T211 H214 H221 F265 I267T211-P216 WeakPolarHBondContact O-CA 3.39Å; H214-P216 VanDerWaalsContact C-CD 3.47Å; P216-H221 HydrophobicContact CB-CB 3.75Å; P216-F265 VanDerWaalsContact CD-CE1 3.45Å; P216-F265 HydrophobicContact CG-CB 4.03Å; P216-F265 HydrophobicContact CG-CD1 3.49Å; P216-F265 VanDerWaalsContact CG-CD1 3.49Å; P216-F265 HydrophobicContact CG-CD2 3.58Å; P216-F265 HydrophobicContact CG-CE1 3.74Å; P216-F265 HydrophobicContact CG-CE2 3.86Å; P216-F265 HydrophobicContact CG-CG 3.39Å; P216-F265 HydrophobicContact CG-CZ 3.92Å; P216-I267 HydrophobicContact CB-CD1 3.83Å; P216-I267 HydrophobicContact CG-CD1 4.11Å
217R95.1Very high93.7Very high168 Ų16849 Ų4963%0.63425%0.249SC*.  trans-141.4-31.5-170.7-71.4175.6-77.3169.9-2.2111.8H221R217-H221 PolarHBondContact N-ND1 3.41Å
218L96.3Very high94.1Very high82 Ų8249.7 Ų49.743%0.42925%0.254SS..SBendtrans-114.2153.2178.6-58177.8000109.7E220 H221L218-E220 VanDerWaalsContact CB-OE2 3.32Å; L218-E220 WeakPolarHBondContact CB-OE2 3.49Å; L218-E220 PolarHBondContact O-N 2.85Å; L218-H221 PolarHBondContact N-ND1 2.87Å; L218-H221 WeakPolarHBondContact O-CB 3.29Å; L218-H221 PolarHBondContact O-N 2.88Å
219P97.2Very high94.4Very high22 Ų2248.8 Ų48.814%0.14325%0.245CC..Hα-helixtrans-58.7-31.1175.323.6-32.7000112.4H221 C222 I223 I267 V270 L274P219-H221 VanDerWaalsContact C-N 3.29Å; P219-H221 PolarHBondContact O-N 2.98Å; P219-C222 WeakPolarHBondContact O-CB 3.45Å; P219-C222 PolarHBondContact O-N 3.23Å; P219-C222 VanDerWaalsContact O-N 3.14Å; P219-I223 WeakPolarHBondContact O-CG1 3.48Å; P219-I223 PolarHBondContact O-N 3.15Å; P219-I223 VanDerWaalsContact O-N 3.16Å; P219-I267 HydrophobicContact CB-CG2 4.35Å; P219-V270 HydrophobicContact CB-CG2 3.72Å; P219-L274 HydrophobicContact CB-CD2 3.64Å; P219-L274 HydrophobicContact CG-CD2 3.65Å
220E96.5Very high94.7Very high56 Ų5645 Ų4526%0.26223%0.225SC..Hα-helixtrans-59.7-36.5173.3-64.283.7171.800112.2F207 L218 C222 I223 E224 L274 V278F207-E220 HydrophobicContact CE2-CB 4.18Å; F207-E220 HydrophobicContact CZ-CB 3.94Å; L218-E220 VanDerWaalsContact CB-OE2 3.32Å; L218-E220 WeakPolarHBondContact CB-OE2 3.49Å; L218-E220 PolarHBondContact O-N 2.85Å; E220-C222 VanDerWaalsContact C-N 3.29Å; E220-C222 PolarHBondContact O-N 2.84Å; E220-I223 PolarHBondContact O-N 3.06Å; E220-E224 WeakPolarHBondContact O-CB 3.38Å; E220-E224 WeakPolarHBondContact O-CG 3.42Å; E220-E224 PolarHBondContact O-N 2.62Å; E220-L274 HydrophobicContact CG-CD1 4.23Å; E220-V278 HydrophobicContact CB-CG2 4.22Å; E220-V278 HydrophobicContact CG-CG2 3.81Å
221H97Very high95Very high9 Ų941.8 Ų41.84%0.04220%0.201CC..Hα-helixtrans-64.8-36.4177.2-58.9172.5000111.4F207 T211 P216 R217 L218 P219 Y225F207-H221 AromaticContact CD1-CD2 3.48Å; F207-H221 VanDerWaalsContact CD1-CD2 3.48Å; F207-H221 WeakPolarHBondContact CD1-CD2 3.36Å; F207-H221 AromaticContact CD1-NE2 3.34Å; F207-H221 VanDerWaalsContact CD1-NE2 3.34Å; F207-H221 WeakPolarHBondContact CD1-NE2 3.44Å; F207-H221 AromaticContact CE1-CD2 3.69Å; F207-H221 AromaticContact CE1-NE2 3.53Å; F207-H221 AromaticContact CG-CD2 3.95Å; T211-H221 VanDerWaalsContact CG2-CE1 3.47Å; T211-H221 WeakPolarHBondContact CG2-CE1 3.2Å; T211-H221 WeakPolarHBondContact CG2-ND1 3.07Å; P216-H221 HydrophobicContact CB-CB 3.75Å; R217-H221 PolarHBondContact N-ND1 3.41Å; L218-H221 PolarHBondContact N-ND1 2.87Å; L218-H221 WeakPolarHBondContact O-CB 3.29Å; L218-H221 PolarHBondContact O-N 2.88Å; P219-H221 VanDerWaalsContact C-N 3.29Å; P219-H221 PolarHBondContact O-N 2.98Å; H221-Y225 WeakPolarHBondContact O-CB 3.4Å; H221-Y225 PolarHBondContact O-N 3.16Å
222C97.5Very high95Very high0 Ų044.9 Ų44.90%022%0.223CC..Hα-helixtrans-66.7-40.7176.1-60.40000111P219 E220 Y225 V226 R261 A262P219-C222 WeakPolarHBondContact O-CB 3.45Å; P219-C222 PolarHBondContact O-N 3.23Å; P219-C222 VanDerWaalsContact O-N 3.14Å; E220-C222 VanDerWaalsContact C-N 3.29Å; E220-C222 PolarHBondContact O-N 2.84Å; C222-Y225 WeakPolarHBondContact O-CB 3.46Å; C222-Y225 PolarHBondContact O-N 3.03Å; C222-V226 WeakPolarHBondContact O-CG2 3.34Å; C222-V226 PolarHBondContact O-N 3.02Å; C222-R261 HydrophobicContact CB-CB 4.26Å; C222-R261 HydrophobicContact CB-CG 4.05Å; C222-A262 HydrophobicContact CB-CB 4.35Å
223I97.6Very high95Very high0 Ų052 Ų520%025%0.254CS..Hα-helixtrans-68.5-44.5178.8-59.2161000110.8P219 E220 Y225 V226 R227 I254 S258 L274 V275 V278 V279P219-I223 WeakPolarHBondContact O-CG1 3.48Å; P219-I223 PolarHBondContact O-N 3.15Å; P219-I223 VanDerWaalsContact O-N 3.16Å; E220-I223 PolarHBondContact O-N 3.06Å; I223-Y225 VanDerWaalsContact C-N 3.31Å; I223-Y225 PolarHBondContact O-N 3.2Å; I223-V226 PolarHBondContact O-N 2.92Å; I223-V226 VanDerWaalsContact O-N 3.14Å; I223-R227 WeakPolarHBondContact O-CB 3.36Å; I223-R227 PolarHBondContact O-N 2.84Å; I223-I254 HydrophobicContact CG2-CG2 4.14Å; I223-S258 WeakPolarHBondContact CA-OG 3.23Å; I223-L274 HydrophobicContact CD1-CB 4.32Å; I223-L274 HydrophobicContact CD1-CD2 3.86Å; I223-L274 HydrophobicContact CD1-CG 3.68Å; I223-V275 HydrophobicContact CD1-CG2 3.88Å; I223-V275 HydrophobicContact CG1-CG2 3.94Å; I223-V275 HydrophobicContact CG2-CG1 4.46Å; I223-V275 HydrophobicContact CG2-CG2 4.49Å; I223-V278 HydrophobicContact CB-CB 4.37Å; I223-V278 HydrophobicContact CB-CG1 4.08Å; I223-V278 HydrophobicContact CD1-CB 4.47Å; I223-V278 HydrophobicContact CD1-CG2 4.05Å; I223-V278 HydrophobicContact CG2-CB 3.81Å; I223-V278 HydrophobicContact CG2-CG1 3.63Å; I223-V278 HydrophobicContact CG2-CG2 4.48Å; I223-V279 HydrophobicContact CG2-CG2 4.3Å
224E95.3Very high95.1Very high10 Ų1054.6 Ų54.65%0.04727%0.265CS..Hα-helixtrans-64.4-34.2176.6-76-69.5173.700112.7F207 I212 E220 V226 R227 I228 V278F207-E224 HydrophobicContact CD2-CG 3.84Å; F207-E224 HydrophobicContact CE2-CG 4.12Å; I212-E224 HydrophobicContact CD1-CB 4.26Å; I212-E224 HydrophobicContact CG1-CB 4.34Å; E220-E224 WeakPolarHBondContact O-CB 3.38Å; E220-E224 WeakPolarHBondContact O-CG 3.42Å; E220-E224 PolarHBondContact O-N 2.62Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3.11Å; E224-R227 PolarHBondContact O-N 3.18Å; E224-R227 IonicContact OE1-CZ 2.68Å; E224-R227 IonicContact OE1-NE 3.94Å; E224-R227 PolarHBondContact OE1-NE 3.15Å; E224-R227 IonicContact OE1-NH2 2.74Å; E224-R227 IonicContact OE2-CZ 2.68Å; E224-R227 IonicContact OE2-NE 3.15Å; E224-R227 PolarHBondContact OE2-NE 3.36Å; E224-R227 IonicContact OE2-NH2 3.31Å; E224-R227 PolarHBondContact OE2-NH2 2.93Å; E224-I228 WeakPolarHBondContact O-CB 3.49Å; E224-I228 WeakPolarHBondContact O-CG1 3.43Å; E224-I228 PolarHBondContact O-N 3.41Å; E224-I228 WeakPolarHBondContact OE2-CD1 3.38Å; E224-V278 HydrophobicContact CG-CG1 3.91Å; E224-V278 WeakPolarHBondContact OE1-CG1 3.29Å
225Y97Very high95.1Very high44 Ų4450.4 Ų50.417%0.17325%0.248CC..Hα-helixtrans-58.7-47.3171.4172-90.9000111I212 H221 C222 I223 L229 L230 R261I212-Y225 HydrophobicContact CG2-CD2 4.32Å; I212-Y225 HydrophobicContact CG2-CG 4.49Å; H221-Y225 WeakPolarHBondContact O-CB 3.4Å; H221-Y225 PolarHBondContact O-N 3.16Å; C222-Y225 WeakPolarHBondContact O-CB 3.46Å; C222-Y225 PolarHBondContact O-N 3.03Å; I223-Y225 VanDerWaalsContact C-N 3.31Å; I223-Y225 PolarHBondContact O-N 3.2Å; Y225-L229 HydrophobicContact CD2-CB 4.36Å; Y225-L229 HydrophobicContact CD2-CD1 3.72Å; Y225-L229 HydrophobicContact CE2-CB 4.31Å; Y225-L229 HydrophobicContact CE2-CD1 3.89Å; Y225-L229 WeakPolarHBondContact O-CA 3.45Å; Y225-L229 WeakPolarHBondContact O-CB 3.09Å; Y225-L229 PolarHBondContact O-N 2.97Å; Y225-L230 HydrophobicContact CD1-CB 4.49Å; Y225-L230 HydrophobicContact CE1-CB 4.11Å; Y225-L230 HydrophobicContact CE1-CD1 4.44Å; Y225-L230 HydrophobicContact CE1-CD2 4.39Å; Y225-L230 PolarHBondContact O-N 3.44Å; Y225-L230 VanDerWaalsContact O-N 3.08Å; Y225-R261 HydrophobicContact CD1-CG 4.08Å; Y225-R261 HydrophobicContact CG-CG 4.49Å
226V96.9Very high95.1Very high0 Ų048.6 Ų48.60%024%0.237CC..Iπ-helixtrans-65.1-45.6179.5177.40000110.8C222 I223 E224 L230 W231 W253 I254 K257C222-V226 WeakPolarHBondContact O-CG2 3.34Å; C222-V226 PolarHBondContact O-N 3.02Å; I223-V226 PolarHBondContact O-N 2.92Å; I223-V226 VanDerWaalsContact O-N 3.14Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3.11Å; V226-L230 HydrophobicContact CB-CB 4.49Å; V226-L230 HydrophobicContact CG1-CB 4.41Å; V226-L230 HydrophobicContact CG1-CD2 4.43Å; V226-L230 HydrophobicContact CG2-CD2 4.21Å; V226-L230 PolarHBondContact O-N 3.22Å; V226-W231 WeakPolarHBondContact O-CB 3.45Å; V226-W231 PolarHBondContact O-N 2.99Å; V226-W253 HydrophobicContact CG1-CE3 4.13Å; V226-W253 HydrophobicContact CG1-CH2 4.27Å; V226-W253 HydrophobicContact CG1-CZ3 3.49Å; V226-W253 VanDerWaalsContact CG1-CZ3 3.49Å; V226-I254 HydrophobicContact CB-CG2 4.32Å; V226-I254 HydrophobicContact CG1-CB 4.23Å; V226-I254 HydrophobicContact CG1-CG1 4.17Å; V226-I254 HydrophobicContact CG1-CG2 3.95Å; V226-K257 HydrophobicContact CB-CB 4.48Å; V226-K257 HydrophobicContact CG1-CB 3.86Å; V226-K257 HydrophobicContact CG2-CB 3.69Å
227R94.1Very high95.1Very high64 Ų6452 Ų5224%0.24225%0.251CS..Iπ-helixtrans-64.6-44.6-177.5-166.4-173.770.476.11.4113.3I223 E224 I243I223-R227 WeakPolarHBondContact O-CB 3.36Å; I223-R227 PolarHBondContact O-N 2.84Å; E224-R227 PolarHBondContact O-N 3.18Å; E224-R227 IonicContact OE1-CZ 2.68Å; E224-R227 IonicContact OE1-NE 3.94Å; E224-R227 PolarHBondContact OE1-NE 3.15Å; E224-R227 IonicContact OE1-NH2 2.74Å; E224-R227 IonicContact OE2-CZ 2.68Å; E224-R227 IonicContact OE2-NE 3.15Å; E224-R227 PolarHBondContact OE2-NE 3.36Å; E224-R227 IonicContact OE2-NH2 3.31Å; E224-R227 PolarHBondContact OE2-NH2 2.93Å; R227-I243 HydrophobicContact CB-CD1 4.2Å; R227-I243 HydrophobicContact CG-CD1 3.49Å; R227-I243 VanDerWaalsContact CG-CD1 3.49Å; R227-I243 WeakPolarHBondContact O-CD1 3.26Å
228I91.5Very high94.9Very high63 Ų6345.6 Ų45.632%0.32324%0.238SC..Iπ-helixtrans-89.9-41.4-172.4-63.3174000111.7I212 E224 S232I212-I228 HydrophobicContact CD1-CD1 4.05Å; E224-I228 WeakPolarHBondContact O-CB 3.49Å; E224-I228 WeakPolarHBondContact O-CG1 3.43Å; E224-I228 PolarHBondContact O-N 3.41Å; E224-I228 WeakPolarHBondContact OE2-CD1 3.38Å; I228-S232 PolarHBondContact O-OG 2.83Å
229L93.4Very high94.6Very high56 Ų5647.8 Ų47.829%0.29325%0.25SC..Iπ-helixtrans-107.6-49.7-169.2-63.7174.8000112.8L209 I212 A213 Y225 S232 K233L209-L229 HydrophobicContact CD1-CD1 4.2Å; L209-L229 HydrophobicContact CD1-CD2 4.13Å; L209-L229 HydrophobicContact CD1-CG 4.37Å; I212-L229 HydrophobicContact CG2-CD1 4.35Å; A213-L229 HydrophobicContact CB-CD1 4.09Å; Y225-L229 HydrophobicContact CD2-CB 4.36Å; Y225-L229 HydrophobicContact CD2-CD1 3.72Å; Y225-L229 HydrophobicContact CE2-CB 4.31Å; Y225-L229 HydrophobicContact CE2-CD1 3.89Å; Y225-L229 WeakPolarHBondContact O-CA 3.45Å; Y225-L229 WeakPolarHBondContact O-CB 3.09Å; Y225-L229 PolarHBondContact O-N 2.97Å; L229-S232 PolarHBondContact O-OG 2.89Å; L229-K233 WeakPolarHBondContact O-CB 3.35Å; L229-K233 PolarHBondContact O-N 2.98Å
230L95.3Very high94Very high20 Ų2054.5 Ų54.511%0.10528%0.284CS..Iπ-helixtrans-75.3-39-171.5-164.563.4000112.5Y225 V226 S232 K233 D234 W253 K257Y225-L230 HydrophobicContact CD1-CB 4.49Å; Y225-L230 HydrophobicContact CE1-CB 4.11Å; Y225-L230 HydrophobicContact CE1-CD1 4.44Å; Y225-L230 HydrophobicContact CE1-CD2 4.39Å; Y225-L230 PolarHBondContact O-N 3.44Å; Y225-L230 VanDerWaalsContact O-N 3.08Å; V226-L230 HydrophobicContact CB-CB 4.49Å; V226-L230 HydrophobicContact CG1-CB 4.41Å; V226-L230 HydrophobicContact CG1-CD2 4.43Å; V226-L230 HydrophobicContact CG2-CD2 4.21Å; V226-L230 PolarHBondContact O-N 3.22Å; L230-S232 PolarHBondContact O-N 2.9Å; L230-K233 PolarHBondContact O-N 3.18Å; L230-K233 VanDerWaalsContact O-N 3.16Å; L230-D234 VanDerWaalsContact CD1-OD2 3.28Å; L230-D234 WeakPolarHBondContact CD1-OD2 3.46Å; L230-D234 WeakPolarHBondContact CG-OD2 3.18Å; L230-D234 WeakPolarHBondContact O-CB 3.31Å; L230-D234 PolarHBondContact O-N 3.01Å; L230-W253 HydrophobicContact CD2-CH2 4.11Å; L230-W253 HydrophobicContact CG-CH2 4.05Å; L230-K257 HydrophobicContact CD2-CB 3.84Å; L230-K257 HydrophobicContact CD2-CD 4.27Å; L230-K257 HydrophobicContact CD2-CG 3.91Å
231W95.5Very high93.8Very high14 Ų1454.4 Ų54.45%0.05329%0.288CS..Hα-helixtrans-56.6-50.2-179.2-177.5-84000112.4V226 K233 N235 P236 F237 V241 I243 H250 W253 I254V226-W231 WeakPolarHBondContact O-CB 3.45Å; V226-W231 PolarHBondContact O-N 2.99Å; W231-K233 VanDerWaalsContact C-N 3.27Å; W231-K233 PolarHBondContact O-N 2.74Å; W231-N235 PolarHBondContact O-N 3.1Å; W231-P236 HydrophobicContact CD2-CG 4.03Å; W231-P236 HydrophobicContact CE3-CG 3.75Å; W231-P236 HydrophobicContact CH2-CG 4.2Å; W231-P236 HydrophobicContact CZ2-CG 4.45Å; W231-P236 HydrophobicContact CZ3-CG 3.85Å; W231-P236 WeakPolarHBondContact O-CD 3.19Å; W231-F237 AromaticContact CH2-CD2 3.35Å; W231-F237 HydrophobicContact CH2-CD2 3.35Å; W231-F237 AromaticContact CH2-CE2 3.68Å; W231-F237 HydrophobicContact CH2-CE2 3.68Å; W231-F237 HydrophobicContact CH2-CG 4.44Å; W231-F237 HydrophobicContact CZ2-CD2 4.01Å; W231-F237 AromaticContact CZ3-CD2 3.93Å; W231-F237 HydrophobicContact CZ3-CD2 3.93Å; W231-F237 AromaticContact CZ3-CE2 3.87Å; W231-F237 HydrophobicContact CZ3-CE2 3.87Å; W231-V241 PolarHBondContact NE1-O 2.86Å; W231-I243 HydrophobicContact CB-CD1 3.95Å; W231-I243 HydrophobicContact CB-CG1 4.31Å; W231-I243 HydrophobicContact CD2-CD1 3.8Å; W231-I243 HydrophobicContact CD2-CG1 3.24Å; W231-I243 HydrophobicContact CE3-CD1 4.12Å; W231-I243 HydrophobicContact CE3-CG1 3.68Å; W231-I243 HydrophobicContact CG-CD1 3.69Å; W231-I243 HydrophobicContact CG-CG1 3.51Å; W231-I243 HydrophobicContact CH2-CG1 4.2Å; W231-I243 HydrophobicContact CZ2-CB 4.42Å; W231-I243 HydrophobicContact CZ2-CG1 3.83Å; W231-I243 HydrophobicContact CZ3-CG1 4.14Å; W231-H250 HydrophobicContact CH2-CB 3.91Å; W231-H250 AromaticContact CH2-CD2 3.72Å; W231-H250 AromaticContact CH2-CE1 3.88Å; W231-H250 AromaticContact CH2-CG 3.5Å; W231-H250 VanDerWaalsContact CH2-CG 3.5Å; W231-H250 AromaticContact CH2-ND1 3.63Å; W231-H250 AromaticContact CH2-NE2 3.93Å; W231-H250 HydrophobicContact CZ3-CB 4.26Å; W231-W253 AromaticContact CE3-CE3 3.71Å; W231-W253 HydrophobicContact CE3-CE3 3.71Å; W231-W253 AromaticContact CE3-CZ3 3.67Å; W231-W253 HydrophobicContact CE3-CZ3 3.67Å; W231-W253 AromaticContact CZ3-CE3 3.89Å; W231-W253 HydrophobicContact CZ3-CE3 3.89Å; W231-W253 HydrophobicContact CZ3-CZ3 4.32Å; W231-I254 HydrophobicContact CE3-CD1 4.28Å; W231-I254 HydrophobicContact CE3-CG1 4.09Å; W231-I254 HydrophobicContact CZ3-CD1 4.22Å; W231-I254 HydrophobicContact CZ3-CG1 4.1Å
232S91.4Very high93.6Very high77 Ų7757.7 Ų57.754%0.53832%0.316SS..Hα-helixtrans-70.8-23179.753.80000113.1I228 L229 L230 N235I228-S232 PolarHBondContact O-OG 2.83Å; L229-S232 PolarHBondContact O-OG 2.89Å; L230-S232 PolarHBondContact O-N 2.9Å; S232-N235 PolarHBondContact O-OD1 2.81Å
233K92.7Very high93.4Very high154 Ų15460 Ų6067%0.6733%0.328SS*.Hα-helixtrans-80.2-44.2176.8-176.4-172.4174.1-169.10112.1L229 L230 W231L229-K233 WeakPolarHBondContact O-CB 3.35Å; L229-K233 PolarHBondContact O-N 2.98Å; L230-K233 PolarHBondContact O-N 3.18Å; L230-K233 VanDerWaalsContact O-N 3.16Å; W231-K233 VanDerWaalsContact C-N 3.27Å; W231-K233 PolarHBondContact O-N 2.74Å
234D93.9Very high93.2Very high76 Ų7663.7 Ų63.741%0.40635%0.348SS..Hα-helixtrans-94.5-16.5-170-70.23.4000112.8L230 W253L230-D234 VanDerWaalsContact CD1-OD2 3.28Å; L230-D234 WeakPolarHBondContact CD1-OD2 3.46Å; L230-D234 WeakPolarHBondContact CG-OD2 3.18Å; L230-D234 WeakPolarHBondContact O-CB 3.31Å; L230-D234 PolarHBondContact O-N 3.01Å; D234-W253 HydrophobicContact CB-CH2 4.44Å; D234-W253 HydrophobicContact CB-CZ2 4.24Å
235N92.2Very high93Very high55 Ų5564 Ų6429%0.29435%0.353SS..  trans43.554.8-178.2-68.3-25.7000113.4W231 S232 F237 G238 D239W231-N235 PolarHBondContact O-N 3.1Å; S232-N235 PolarHBondContact O-OD1 2.81Å; N235-F237 PolarHBondContact O-N 3.27Å; N235-G238 PolarHBondContact O-N 3.39Å; N235-D239 PolarHBondContact ND2-OD1 3.45Å
236P94.2Very high92.5Very high41 Ų4166.5 Ų66.527%0.26637%0.37SS..THydrogen-bonded Turntrans-63-21.4-164.423.3-33.9000115.4W231 W253W231-P236 HydrophobicContact CD2-CG 4.03Å; W231-P236 HydrophobicContact CE3-CG 3.75Å; W231-P236 HydrophobicContact CH2-CG 4.2Å; W231-P236 HydrophobicContact CZ2-CG 4.45Å; W231-P236 HydrophobicContact CZ3-CG 3.85Å; W231-P236 WeakPolarHBondContact O-CD 3.19Å; P236-W253 HydrophobicContact CB-CD2 3.82Å; P236-W253 HydrophobicContact CB-CE3 4.46Å; P236-W253 HydrophobicContact CB-CG 4.19Å; P236-W253 HydrophobicContact CB-CH2 4.29Å; P236-W253 HydrophobicContact CB-CZ2 3.63Å; P236-W253 HydrophobicContact CG-CD2 3.83Å; P236-W253 HydrophobicContact CG-CE3 3.95Å; P236-W253 HydrophobicContact CG-CH2 3.81Å; P236-W253 HydrophobicContact CG-CZ2 3.68Å; P236-W253 HydrophobicContact CG-CZ3 3.95Å
237F95.4Very high92.3Very high81 Ų8167.1 Ų67.136%0.35537%0.374SS..THydrogen-bonded Turntrans-118.415.5-180-63.2-87.6000112.7W231 N235 V241 E249 H250 W253W231-F237 AromaticContact CH2-CD2 3.35Å; W231-F237 HydrophobicContact CH2-CD2 3.35Å; W231-F237 AromaticContact CH2-CE2 3.68Å; W231-F237 HydrophobicContact CH2-CE2 3.68Å; W231-F237 HydrophobicContact CH2-CG 4.44Å; W231-F237 HydrophobicContact CZ2-CD2 4.01Å; W231-F237 AromaticContact CZ3-CD2 3.93Å; W231-F237 HydrophobicContact CZ3-CD2 3.93Å; W231-F237 AromaticContact CZ3-CE2 3.87Å; W231-F237 HydrophobicContact CZ3-CE2 3.87Å; N235-F237 PolarHBondContact O-N 3.27Å; F237-V241 HydrophobicContact CB-CB 4.46Å; F237-V241 HydrophobicContact CB-CG1 4.09Å; F237-V241 WeakPolarHBondContact O-CG2 3.3Å; F237-E249 HydrophobicContact CE1-CB 3.83Å; F237-E249 HydrophobicContact CZ-CB 4.06Å; F237-E249 WeakPolarHBondContact CZ-O 3.44Å; F237-H250 AromaticContact CD1-CD2 3.86Å; F237-H250 AromaticContact CD1-NE2 3.99Å; F237-H250 AromaticContact CD2-CD2 3.45Å; F237-H250 VanDerWaalsContact CD2-CD2 3.45Å; F237-H250 WeakPolarHBondContact CD2-CD2 3.38Å; F237-H250 AromaticContact CD2-NE2 3.71Å; F237-H250 AromaticContact CE1-CD2 3.9Å; F237-H250 AromaticContact CE2-CD2 3.52Å; F237-H250 AromaticContact CG-CD2 3.64Å; F237-H250 AromaticContact CG-NE2 3.57Å; F237-H250 AromaticContact CZ-CD2 3.75Å; F237-W253 HydrophobicContact CE2-CB 3.84Å; F237-W253 HydrophobicContact CE2-CG 4.05Å; F237-W253 HydrophobicContact CZ-CB 3.94Å; F237-W253 HydrophobicContact CZ-CG 4.42Å
238G91.6Very high92.3Very high34 Ų3468.5 Ų68.535%0.35139%0.391SS..SBendtrans113.5163.1-17900000113.4N235 N240 V241N235-G238 PolarHBondContact O-N 3.39Å; G238-N240 PolarHBondContact O-N 3.27Å; G238-V241 PolarHBondContact O-N 2.79Å
239D89.6Confident92.5Very high128 Ų12871 Ų7168%0.68440%0.402SS*.THydrogen-bonded Turntrans-64.2133.7-177.9-67.8-34.1000111.4N235 V241N235-D239 PolarHBondContact ND2-OD1 3.45Å; D239-V241 PolarHBondContact O-N 2.81Å
240N85.4Confident92.7Very high162 Ų16269.2 Ų69.287%0.86639%0.392SS*.THydrogen-bonded Turntrans61.515.6179.6-52.3-52.7000115.4G238 A242G238-N240 PolarHBondContact O-N 3.27Å; N240-A242 PolarHBondContact O-N 3.35Å
241V91.7Very high92.8Very high55 Ų5568.4 Ų68.433%0.33339%0.388SS..  trans-74.6115.9171.4178.60000109.1W231 F237 G238 D239W231-V241 PolarHBondContact NE1-O 2.86Å; F237-V241 HydrophobicContact CB-CB 4.46Å; F237-V241 HydrophobicContact CB-CG1 4.09Å; F237-V241 WeakPolarHBondContact O-CG2 3.3Å; G238-V241 PolarHBondContact O-N 2.79Å; D239-V241 PolarHBondContact O-N 2.81Å
242A92.9Very high92.8Very high78 Ų7871.3 Ų71.365%0.64540%0.401SS*.  trans-73.1155.6176.400000111.4N240 D244N240-A242 PolarHBondContact O-N 3.35Å; A242-D244 PolarHBondContact O-N 2.97Å
243I94.5Very high93.2Very high48 Ų4869.5 Ų69.525%0.24638%0.383CS..  trans-65.7107.8173.6-61.6172.6000109.1R227 W231 I254 V279R227-I243 HydrophobicContact CB-CD1 4.2Å; R227-I243 HydrophobicContact CG-CD1 3.49Å; R227-I243 VanDerWaalsContact CG-CD1 3.49Å; R227-I243 WeakPolarHBondContact O-CD1 3.26Å; W231-I243 HydrophobicContact CB-CD1 3.95Å; W231-I243 HydrophobicContact CB-CG1 4.31Å; W231-I243 HydrophobicContact CD2-CD1 3.8Å; W231-I243 HydrophobicContact CD2-CG1 3.24Å; W231-I243 HydrophobicContact CE3-CD1 4.12Å; W231-I243 HydrophobicContact CE3-CG1 3.68Å; W231-I243 HydrophobicContact CG-CD1 3.69Å; W231-I243 HydrophobicContact CG-CG1 3.51Å; W231-I243 HydrophobicContact CH2-CG1 4.2Å; W231-I243 HydrophobicContact CZ2-CB 4.42Å; W231-I243 HydrophobicContact CZ2-CG1 3.83Å; W231-I243 HydrophobicContact CZ3-CG1 4.14Å; I243-I254 HydrophobicContact CD1-CD1 4.22Å; I243-I254 HydrophobicContact CG1-CD1 4.48Å; I243-I254 HydrophobicContact CG2-CD1 3.76Å; I243-V279 HydrophobicContact CG2-CG1 3.78Å
244D92.6Very high93.4Very high78 Ų7862.1 Ų62.142%0.41735%0.351SS..  trans-80.6112160.3-175.50.4000110.2A242 D246 S247 H250A242-D244 PolarHBondContact O-N 2.97Å; D244-D246 PolarHBondContact O-N 3.46Å; D244-D246 WeakPolarHBondContact OD1-CB 3.2Å; D244-D246 PolarHBondContact OD1-N 3.02Å; D244-S247 PolarHBondContact O-N 3.12Å; D244-H250 WeakPolarHBondContact CB-ND1 3.33Å; D244-H250 PolarHBondContact N-ND1 2.98Å; D244-H250 WeakPolarHBondContact O-CB 3.45Å; D244-H250 PolarHBondContact O-ND1 3.33Å
245G90.2Very high93.6Very high15 Ų1561.9 Ų61.916%0.15535%0.345CS..THydrogen-bonded Turntrans-73.4-12.2177.700000114I251 K280G245-I251 WeakPolarHBondContact O-CG1 3.49Å; G245-K280 WeakPolarHBondContact O-CD 3.37Å
246D87.7Confident93.9Very high98 Ų9863.6 Ų63.652%0.52435%0.351SS..THydrogen-bonded Turntrans-95.5-13.7176.7-67.6-56.1000112.8D244 P248 K280D244-D246 PolarHBondContact O-N 3.46Å; D244-D246 WeakPolarHBondContact OD1-CB 3.2Å; D244-D246 PolarHBondContact OD1-N 3.02Å; D246-P248 VanDerWaalsContact O-CD 3.28Å; D246-P248 WeakPolarHBondContact O-CD 3.29Å; D246-K280 WeakPolarHBondContact OD1-CE 3.19Å; D246-K280 IonicContact OD1-NZ 3.7Å; D246-K280 PolarHBondContact OD1-NZ 2.69Å
247S92.9Very high94.1Very high13 Ų1364 Ų649%0.09135%0.349CS..  trans-72.8119172.4162.70000111D244 E249 H250 I251D244-S247 PolarHBondContact O-N 3.12Å; S247-E249 PolarHBondContact O-N 3.15Å; S247-E249 PolarHBondContact OG-N 3.37Å; S247-E249 PolarHBondContact OG-OE2 3.39Å; S247-H250 PolarHBondContact O-N 3.21Å; S247-H250 PolarHBondContact OG-CD2 2.9Å; S247-H250 PolarHBondContact OG-N 3.24Å; S247-H250 VanDerWaalsContact OG-N 3.08Å; S247-I251 WeakPolarHBondContact O-CG1 3.25Å; S247-I251 PolarHBondContact O-N 3.43Å; S247-I251 VanDerWaalsContact O-N 3.1Å
248P93.5Very high94.2Very high92 Ų9260.1 Ų60.160%0.59733%0.332SS*.Hα-helixtrans-58.5-35.9173.1-24.535.8000112.6D246 Q252D246-P248 VanDerWaalsContact O-CD 3.28Å; D246-P248 WeakPolarHBondContact O-CD 3.29Å; P248-Q252 WeakPolarHBondContact O-CB 3.18Å; P248-Q252 PolarHBondContact O-N 2.86Å
249E96Very high94.5Very high116 Ų11660.5 Ų60.554%0.54233%0.329SS..Hα-helixtrans-66.1-46.2-179.8-56.276.8-166.300111.3F237 S247 Q252 W253F237-E249 HydrophobicContact CE1-CB 3.83Å; F237-E249 HydrophobicContact CZ-CB 4.06Å; F237-E249 WeakPolarHBondContact CZ-O 3.44Å; S247-E249 PolarHBondContact O-N 3.15Å; S247-E249 PolarHBondContact OG-N 3.37Å; S247-E249 PolarHBondContact OG-OE2 3.39Å; E249-Q252 PolarHBondContact O-N 3.08Å; E249-W253 PolarHBondContact O-N 2.79Å
250H97.1Very high94.9Very high18 Ų1859 Ų598%0.08332%0.318CS..Hα-helixtrans-62-48177-71.1-168.4000111.5W231 F237 D244 S247 Q252 W253 I254W231-H250 HydrophobicContact CH2-CB 3.91Å; W231-H250 AromaticContact CH2-CD2 3.72Å; W231-H250 AromaticContact CH2-CE1 3.88Å; W231-H250 AromaticContact CH2-CG 3.5Å; W231-H250 VanDerWaalsContact CH2-CG 3.5Å; W231-H250 AromaticContact CH2-ND1 3.63Å; W231-H250 AromaticContact CH2-NE2 3.93Å; W231-H250 HydrophobicContact CZ3-CB 4.26Å; F237-H250 AromaticContact CD1-CD2 3.86Å; F237-H250 AromaticContact CD1-NE2 3.99Å; F237-H250 AromaticContact CD2-CD2 3.45Å; F237-H250 VanDerWaalsContact CD2-CD2 3.45Å; F237-H250 WeakPolarHBondContact CD2-CD2 3.38Å; F237-H250 AromaticContact CD2-NE2 3.71Å; F237-H250 AromaticContact CE1-CD2 3.9Å; F237-H250 AromaticContact CE2-CD2 3.52Å; F237-H250 AromaticContact CG-CD2 3.64Å; F237-H250 AromaticContact CG-NE2 3.57Å; F237-H250 AromaticContact CZ-CD2 3.75Å; D244-H250 WeakPolarHBondContact CB-ND1 3.33Å; D244-H250 PolarHBondContact N-ND1 2.98Å; D244-H250 WeakPolarHBondContact O-CB 3.45Å; D244-H250 PolarHBondContact O-ND1 3.33Å; S247-H250 PolarHBondContact O-N 3.21Å; S247-H250 PolarHBondContact OG-CD2 2.9Å; S247-H250 PolarHBondContact OG-N 3.24Å; S247-H250 VanDerWaalsContact OG-N 3.08Å; H250-Q252 VanDerWaalsContact C-N 3.32Å; H250-Q252 PolarHBondContact O-N 2.73Å; H250-W253 PolarHBondContact O-N 3.02Å; H250-I254 VanDerWaalsContact O-CG1 3.29Å; H250-I254 WeakPolarHBondContact O-CG1 3.36Å; H250-I254 PolarHBondContact O-N 3.19Å
251I96.9Very high95.5Very high4 Ų452.5 Ų52.52%0.02128%0.281CS..Hα-helixtrans-62.9-40.6179.4-67.4-61.5000111.1G245 S247 I254 Y255 L272 V275 Q276 V279G245-I251 WeakPolarHBondContact O-CG1 3.49Å; S247-I251 WeakPolarHBondContact O-CG1 3.25Å; S247-I251 PolarHBondContact O-N 3.43Å; S247-I251 VanDerWaalsContact O-N 3.1Å; I251-I254 PolarHBondContact O-N 3.08Å; I251-Y255 WeakPolarHBondContact O-CB 3.36Å; I251-Y255 PolarHBondContact O-N 2.82Å; I251-L272 HydrophobicContact CG2-CD1 3.76Å; I251-L272 HydrophobicContact CG2-CG 4.47Å; I251-V275 HydrophobicContact CG2-CG1 4.16Å; I251-Q276 HydrophobicContact CG2-CG 3.68Å; I251-V279 HydrophobicContact CD1-CB 3.96Å; I251-V279 HydrophobicContact CD1-CG1 3.79Å; I251-V279 HydrophobicContact CD1-CG2 4.22Å
252Q97.5Very high95.8Very high74 Ų7450.1 Ų50.135%0.34627%0.266SS..Hα-helixtrans-63.3-44.9177-177.560.428.700111.5P248 E249 H250 I254 Y255 E256P248-Q252 WeakPolarHBondContact O-CB 3.18Å; P248-Q252 PolarHBondContact O-N 2.86Å; E249-Q252 PolarHBondContact O-N 3.08Å; H250-Q252 VanDerWaalsContact C-N 3.32Å; H250-Q252 PolarHBondContact O-N 2.73Å; Q252-I254 PolarHBondContact O-N 3.29Å; Q252-Y255 WeakPolarHBondContact O-CB 3.49Å; Q252-Y255 PolarHBondContact O-N 3.42Å; Q252-E256 PolarHBondContact NE2-OE1 3.02Å; Q252-E256 WeakPolarHBondContact O-CG 3.22Å; Q252-E256 PolarHBondContact O-N 3.49Å
253W98Very high96Very high39 Ų3955.1 Ų55.115%0.14827%0.274CS..Hα-helixtrans-61.4-45.3176.2-175.292.6000111.8V226 L230 W231 D234 P236 F237 E249 H250 Y255 E256 K257V226-W253 HydrophobicContact CG1-CE3 4.13Å; V226-W253 HydrophobicContact CG1-CH2 4.27Å; V226-W253 HydrophobicContact CG1-CZ3 3.49Å; V226-W253 VanDerWaalsContact CG1-CZ3 3.49Å; L230-W253 HydrophobicContact CD2-CH2 4.11Å; L230-W253 HydrophobicContact CG-CH2 4.05Å; W231-W253 AromaticContact CE3-CE3 3.71Å; W231-W253 HydrophobicContact CE3-CE3 3.71Å; W231-W253 AromaticContact CE3-CZ3 3.67Å; W231-W253 HydrophobicContact CE3-CZ3 3.67Å; W231-W253 AromaticContact CZ3-CE3 3.89Å; W231-W253 HydrophobicContact CZ3-CE3 3.89Å; W231-W253 HydrophobicContact CZ3-CZ3 4.32Å; D234-W253 HydrophobicContact CB-CH2 4.44Å; D234-W253 HydrophobicContact CB-CZ2 4.24Å; P236-W253 HydrophobicContact CB-CD2 3.82Å; P236-W253 HydrophobicContact CB-CE3 4.46Å; P236-W253 HydrophobicContact CB-CG 4.19Å; P236-W253 HydrophobicContact CB-CH2 4.29Å; P236-W253 HydrophobicContact CB-CZ2 3.63Å; P236-W253 HydrophobicContact CG-CD2 3.83Å; P236-W253 HydrophobicContact CG-CE3 3.95Å; P236-W253 HydrophobicContact CG-CH2 3.81Å; P236-W253 HydrophobicContact CG-CZ2 3.68Å; P236-W253 HydrophobicContact CG-CZ3 3.95Å; F237-W253 HydrophobicContact CE2-CB 3.84Å; F237-W253 HydrophobicContact CE2-CG 4.05Å; F237-W253 HydrophobicContact CZ-CB 3.94Å; F237-W253 HydrophobicContact CZ-CG 4.42Å; E249-W253 PolarHBondContact O-N 2.79Å; H250-W253 PolarHBondContact O-N 3.02Å; W253-Y255 VanDerWaalsContact C-N 3.28Å; W253-Y255 PolarHBondContact O-N 2.78Å; W253-E256 PolarHBondContact O-N 3.4Å; W253-K257 HydrophobicContact CD2-CG 4.07Å; W253-K257 HydrophobicContact CE3-CG 4.23Å; W253-K257 HydrophobicContact CH2-CG 3.91Å; W253-K257 HydrophobicContact CZ2-CG 3.71Å; W253-K257 HydrophobicContact CZ3-CG 4.16Å; W253-K257 PolarHBondContact O-N 3.34Å; W253-K257 VanDerWaalsContact O-N 3.09Å
254I98Very high96.1Very high0 Ų059.1 Ų59.10%029%0.292CS..Hα-helixtrans-61.1-41.5177.3-66.4169.2000110.3I223 V226 W231 I243 H250 I251 Q252 S258 V275 V279I223-I254 HydrophobicContact CG2-CG2 4.14Å; V226-I254 HydrophobicContact CB-CG2 4.32Å; V226-I254 HydrophobicContact CG1-CB 4.23Å; V226-I254 HydrophobicContact CG1-CG1 4.17Å; V226-I254 HydrophobicContact CG1-CG2 3.95Å; W231-I254 HydrophobicContact CE3-CD1 4.28Å; W231-I254 HydrophobicContact CE3-CG1 4.09Å; W231-I254 HydrophobicContact CZ3-CD1 4.22Å; W231-I254 HydrophobicContact CZ3-CG1 4.1Å; I243-I254 HydrophobicContact CD1-CD1 4.22Å; I243-I254 HydrophobicContact CG1-CD1 4.48Å; I243-I254 HydrophobicContact CG2-CD1 3.76Å; H250-I254 VanDerWaalsContact O-CG1 3.29Å; H250-I254 WeakPolarHBondContact O-CG1 3.36Å; H250-I254 PolarHBondContact O-N 3.19Å; I251-I254 PolarHBondContact O-N 3.08Å; Q252-I254 PolarHBondContact O-N 3.29Å; I254-S258 WeakPolarHBondContact O-CB 3.5Å; I254-S258 PolarHBondContact O-N 3.21Å; I254-S258 PolarHBondContact O-OG 3.18Å; I254-V275 HydrophobicContact CB-CG1 4.04Å; I254-V275 HydrophobicContact CG2-CG1 3.63Å; I254-V279 HydrophobicContact CD1-CG1 4.43Å; I254-V279 HydrophobicContact CD1-CG2 3.86Å; I254-V279 HydrophobicContact CG2-CG2 4.09Å
255Y98.2Very high96.3Very high70 Ų7059.5 Ų59.528%0.27529%0.289SS..Hα-helixtrans-60.8-47.4177.5168.7-109.3000112.6I251 Q252 W253 S258 C259 V270 L272 V275I251-Y255 WeakPolarHBondContact O-CB 3.36Å; I251-Y255 PolarHBondContact O-N 2.82Å; Q252-Y255 WeakPolarHBondContact O-CB 3.49Å; Q252-Y255 PolarHBondContact O-N 3.42Å; W253-Y255 VanDerWaalsContact C-N 3.28Å; W253-Y255 PolarHBondContact O-N 2.78Å; Y255-S258 PolarHBondContact O-N 2.65Å; Y255-C259 WeakPolarHBondContact CE2-SG 3.4Å; Y255-C259 PolarHBondContact O-N 3.2Å; Y255-C259 PolarHBondContact O-SG 2.86Å; Y255-V270 HydrophobicContact CD2-CG1 4.04Å; Y255-V270 HydrophobicContact CE2-CG1 4.18Å; Y255-L272 HydrophobicContact CD1-CD1 4.27Å; Y255-L272 HydrophobicContact CD2-CB 4.45Å; Y255-L272 HydrophobicContact CD2-CD1 4.47Å; Y255-L272 HydrophobicContact CG-CD1 3.93Å; Y255-V275 HydrophobicContact CD2-CG2 3.97Å; Y255-V275 HydrophobicContact CG-CG2 4.48Å
256E97.9Very high96.6Very high92 Ų9262.2 Ų62.243%0.4332%0.318SS..Hα-helixtrans-61.1-48.4179.4-72.3170.2-171.500111.5Q252 W253 S258 C259 E260Q252-E256 PolarHBondContact NE2-OE1 3.02Å; Q252-E256 WeakPolarHBondContact O-CG 3.22Å; Q252-E256 PolarHBondContact O-N 3.49Å; W253-E256 PolarHBondContact O-N 3.4Å; E256-S258 VanDerWaalsContact C-N 3.32Å; E256-S258 PolarHBondContact O-N 3.13Å; E256-C259 WeakPolarHBondContact O-CB 3.2Å; E256-C259 PolarHBondContact O-N 3.41Å; E256-E260 PolarHBondContact O-N 3.11Å
257K98.1Very high97.1Very high49 Ų4958.8 Ų58.821%0.21330%0.299CS..Hα-helixtrans-66.1-33.3177.1-65.3-47.5-174.5-170.10113.5V226 L230 W253 C259 E260 R261V226-K257 HydrophobicContact CB-CB 4.48Å; V226-K257 HydrophobicContact CG1-CB 3.86Å; V226-K257 HydrophobicContact CG2-CB 3.69Å; L230-K257 HydrophobicContact CD2-CB 3.84Å; L230-K257 HydrophobicContact CD2-CD 4.27Å; L230-K257 HydrophobicContact CD2-CG 3.91Å; W253-K257 HydrophobicContact CD2-CG 4.07Å; W253-K257 HydrophobicContact CE3-CG 4.23Å; W253-K257 HydrophobicContact CH2-CG 3.91Å; W253-K257 HydrophobicContact CZ2-CG 3.71Å; W253-K257 HydrophobicContact CZ3-CG 4.16Å; W253-K257 PolarHBondContact O-N 3.34Å; W253-K257 VanDerWaalsContact O-N 3.09Å; K257-C259 VanDerWaalsContact C-N 3.34Å; K257-E260 VanDerWaalsContact CD-OE2 3.27Å; K257-E260 WeakPolarHBondContact CD-OE2 3.27Å; K257-E260 VanDerWaalsContact NZ-CD 3.25Å; K257-E260 IonicContact NZ-OE1 3.03Å; K257-E260 PolarHBondContact NZ-OE1 3.36Å; K257-E260 IonicContact NZ-OE2 2.62Å; K257-E260 PolarHBondContact NZ-OE2 3.44Å; K257-E260 PolarHBondContact O-N 3.42Å; K257-R261 WeakPolarHBondContact O-CB 3.3Å; K257-R261 PolarHBondContact O-N 2.8Å
258S98.2Very high97.2Very high0 Ų063 Ų630%033%0.329CS..Hα-helixtrans-67-38.5174.9-60.40000111I223 I254 Y255 E256 R261 A262I223-S258 WeakPolarHBondContact CA-OG 3.23Å; I254-S258 WeakPolarHBondContact O-CB 3.5Å; I254-S258 PolarHBondContact O-N 3.21Å; I254-S258 PolarHBondContact O-OG 3.18Å; Y255-S258 PolarHBondContact O-N 2.65Å; E256-S258 VanDerWaalsContact C-N 3.32Å; E256-S258 PolarHBondContact O-N 3.13Å; S258-R261 PolarHBondContact O-N 3.12Å; S258-A262 VanDerWaalsContact O-CB 3.25Å; S258-A262 WeakPolarHBondContact O-CB 3.49Å; S258-A262 PolarHBondContact O-N 2.91Å
259C98Very high97.3Very high42 Ų4260.9 Ų60.928%0.28432%0.323SS..Hα-helixtrans-64.8-44.3174.1-68.20000112Y255 E256 K257 R261 A262 K263Y255-C259 WeakPolarHBondContact CE2-SG 3.4Å; Y255-C259 PolarHBondContact O-N 3.2Å; Y255-C259 PolarHBondContact O-SG 2.86Å; E256-C259 WeakPolarHBondContact O-CB 3.2Å; E256-C259 PolarHBondContact O-N 3.41Å; K257-C259 VanDerWaalsContact C-N 3.34Å; C259-R261 PolarHBondContact O-N 3.06Å; C259-A262 PolarHBondContact O-N 3.13Å; C259-K263 WeakPolarHBondContact O-CB 3.27Å; C259-K263 PolarHBondContact O-N 3.44Å
260E97.7Very high97.3Very high97 Ų9756.2 Ų56.245%0.45330%0.303SS..Hα-helixtrans-57.2-49174.8-71.6173.9-162.700111E256 K257 K263 Q264E256-E260 PolarHBondContact O-N 3.11Å; K257-E260 VanDerWaalsContact CD-OE2 3.27Å; K257-E260 WeakPolarHBondContact CD-OE2 3.27Å; K257-E260 VanDerWaalsContact NZ-CD 3.25Å; K257-E260 IonicContact NZ-OE1 3.03Å; K257-E260 PolarHBondContact NZ-OE1 3.36Å; K257-E260 IonicContact NZ-OE2 2.62Å; K257-E260 PolarHBondContact NZ-OE2 3.44Å; K257-E260 PolarHBondContact O-N 3.42Å; E260-K263 PolarHBondContact O-N 2.67Å; E260-Q264 WeakPolarHBondContact O-CG 3.5Å; E260-Q264 PolarHBondContact O-N 2.87Å
261R97.4Very high97.3Very high25 Ų2558.7 Ų58.79%0.09432%0.319CS..Hα-helixtrans-62.9-45.2178.1-176.764.5172.2-170-3.2111.9I212 A213 C222 Y225 K257 S258 C259 K263 Q264 F265I212-R261 PolarHBondContact O-NH2 2.99Å; A213-R261 PolarHBondContact O-NH2 3.06Å; C222-R261 HydrophobicContact CB-CB 4.26Å; C222-R261 HydrophobicContact CB-CG 4.05Å; Y225-R261 HydrophobicContact CD1-CG 4.08Å; Y225-R261 HydrophobicContact CG-CG 4.49Å; K257-R261 WeakPolarHBondContact O-CB 3.3Å; K257-R261 PolarHBondContact O-N 2.8Å; S258-R261 PolarHBondContact O-N 3.12Å; C259-R261 PolarHBondContact O-N 3.06Å; R261-K263 VanDerWaalsContact C-N 3.31Å; R261-K263 PolarHBondContact O-N 3.26Å; R261-Q264 WeakPolarHBondContact O-CB 3.37Å; R261-Q264 PolarHBondContact O-N 3.31Å; R261-F265 WeakPolarHBondContact O-CD2 3.46Å; R261-F265 PolarHBondContact O-N 3.41Å
262A98Very high97.2Very high4 Ų461.8 Ų61.83%0.03334%0.335CS..Hα-helixtrans-61.1-41.3179.300000111.6C222 S258 C259 Q264 F265 G266 I267 V270C222-A262 HydrophobicContact CB-CB 4.35Å; S258-A262 VanDerWaalsContact O-CB 3.25Å; S258-A262 WeakPolarHBondContact O-CB 3.49Å; S258-A262 PolarHBondContact O-N 2.91Å; C259-A262 PolarHBondContact O-N 3.13Å; A262-Q264 VanDerWaalsContact C-N 3.32Å; A262-Q264 PolarHBondContact O-N 2.99Å; A262-F265 CarbonylContact O-C 3.59Å; A262-F265 PolarHBondContact O-N 3.13Å; A262-G266 PolarHBondContact O-N 3.36Å; A262-G266 VanDerWaalsContact O-N 3.08Å; A262-I267 HydrophobicContact CB-CB 4.13Å; A262-I267 HydrophobicContact CB-CG2 4.43Å; A262-I267 WeakPolarHBondContact CB-O 3.29Å; A262-I267 PolarHBondContact O-N 3.34Å; A262-V270 HydrophobicContact CB-CG2 3.63Å
263K97.3Very high97.1Very high183 Ų18368.4 Ų68.480%0.79636%0.357SS*.Hα-helixtrans-60.1-38.7175.2-172.8178.3179.6-179.40112.8C259 E260 R261 F265 G266C259-K263 WeakPolarHBondContact O-CB 3.27Å; C259-K263 PolarHBondContact O-N 3.44Å; E260-K263 PolarHBondContact O-N 2.67Å; R261-K263 VanDerWaalsContact C-N 3.31Å; R261-K263 PolarHBondContact O-N 3.26Å; K263-F265 PolarHBondContact O-N 3.38Å; K263-G266 PolarHBondContact O-N 2.94Å
264Q96.6Very high96.9Very high133 Ų13368.3 Ų68.362%0.62136%0.359SS*.Hα-helixtrans-62.3-31.1178.3-69.8169.40.500113.1E260 R261 A262E260-Q264 WeakPolarHBondContact O-CG 3.5Å; E260-Q264 PolarHBondContact O-N 2.87Å; R261-Q264 WeakPolarHBondContact O-CB 3.37Å; R261-Q264 PolarHBondContact O-N 3.31Å; A262-Q264 VanDerWaalsContact C-N 3.32Å; A262-Q264 PolarHBondContact O-N 2.99Å
265F96.9Very high96.9Very high85 Ų8568.3 Ų68.337%0.37336%0.359SS..THydrogen-bonded Turntrans-105.77.5-177.8-71.4-93.3000113.4H214 P216 R261 A262 K263 I267H214-F265 WeakPolarHBondContact O-CE1 3.48Å; P216-F265 VanDerWaalsContact CD-CE1 3.45Å; P216-F265 HydrophobicContact CG-CB 4.03Å; P216-F265 HydrophobicContact CG-CD1 3.49Å; P216-F265 VanDerWaalsContact CG-CD1 3.49Å; P216-F265 HydrophobicContact CG-CD2 3.58Å; P216-F265 HydrophobicContact CG-CE1 3.74Å; P216-F265 HydrophobicContact CG-CE2 3.86Å; P216-F265 HydrophobicContact CG-CG 3.39Å; P216-F265 HydrophobicContact CG-CZ 3.92Å; R261-F265 WeakPolarHBondContact O-CD2 3.46Å; R261-F265 PolarHBondContact O-N 3.41Å; A262-F265 CarbonylContact O-C 3.59Å; A262-F265 PolarHBondContact O-N 3.13Å; K263-F265 PolarHBondContact O-N 3.38Å; F265-I267 VanDerWaalsContact C-N 3.25Å; F265-I267 HydrophobicContact CB-CD1 3.76Å; F265-I267 HydrophobicContact CB-CG1 4Å; F265-I267 PolarHBondContact O-N 3.26Å
266G96.8Very high96.6Very high73 Ų7368.9 Ų68.975%0.75336%0.364SS*.THydrogen-bonded Turntrans64.927-177.500000113.9A262 K263A262-G266 PolarHBondContact O-N 3.36Å; A262-G266 VanDerWaalsContact O-N 3.08Å; K263-G266 PolarHBondContact O-N 2.94Å
267I97.3Very high96.4Very high26 Ų2665.6 Ų65.613%0.13336%0.355CS..  trans-92.1134.8-179.6-61.6168.3000109.2P216 P219 A262 F265P216-I267 HydrophobicContact CB-CD1 3.83Å; P216-I267 HydrophobicContact CG-CD1 4.11Å; P219-I267 HydrophobicContact CB-CG2 4.35Å; A262-I267 HydrophobicContact CB-CB 4.13Å; A262-I267 HydrophobicContact CB-CG2 4.43Å; A262-I267 WeakPolarHBondContact CB-O 3.29Å; A262-I267 PolarHBondContact O-N 3.34Å; F265-I267 VanDerWaalsContact C-N 3.25Å; F265-I267 HydrophobicContact CB-CD1 3.76Å; F265-I267 HydrophobicContact CB-CG1 4Å; F265-I267 PolarHBondContact O-N 3.26Å
268S95.7Very high96.1Very high102 Ų10264.1 Ų64.171%0.71335%0.35SS*.  trans-109.2170.8173.963.80000111.3
269G95.6Very high95.9Very high46 Ų4665.1 Ų65.147%0.47436%0.356SS..  trans94.63172.900000116.3T271 L274G269-T271 PolarHBondContact O-N 3.11Å; G269-L274 WeakPolarHBondContact O-CD2 3.47Å
270V97.1Very high95.4Very high19 Ų1966.9 Ų66.912%0.11536%0.359CS..  trans-68118.6169.2-178.50000108.9P219 Y255 A262 V275P219-V270 HydrophobicContact CB-CG2 3.72Å; Y255-V270 HydrophobicContact CD2-CG1 4.04Å; Y255-V270 HydrophobicContact CE2-CG1 4.18Å; A262-V270 HydrophobicContact CB-CG2 3.63Å; V270-V275 HydrophobicContact CG1-CG2 4.26Å
271T96.9Very high94.9Very high69 Ų6969 Ų6942%0.42336%0.363SS..  trans-130.6156.117663.70000109.4G269 R273 L274 V275G269-T271 PolarHBondContact O-N 3.11Å; T271-R273 PolarHBondContact O-N 3.45Å; T271-L274 PolarHBondContact O-N 3.34Å; T271-L274 WeakPolarHBondContact OG1-CB 3.39Å; T271-L274 PolarHBondContact OG1-N 2.93Å; T271-L274 VanDerWaalsContact OG1-N 3.17Å; T271-V275 WeakPolarHBondContact O-CG2 3.46Å; T271-V275 PolarHBondContact O-N 3.09Å
272L94.9Very high94.3Very high69 Ų6972.2 Ų72.236%0.36138%0.381SS..Hα-helixtrans-57-39.1176.8-168.168.2000111.8I251 Y255 L274 V275 Q276I251-L272 HydrophobicContact CG2-CD1 3.76Å; I251-L272 HydrophobicContact CG2-CG 4.47Å; Y255-L272 HydrophobicContact CD1-CD1 4.27Å; Y255-L272 HydrophobicContact CD2-CB 4.45Å; Y255-L272 HydrophobicContact CD2-CD1 4.47Å; Y255-L272 HydrophobicContact CG-CD1 3.93Å; L272-L274 PolarHBondContact O-N 2.93Å; L272-V275 PolarHBondContact O-N 3.03Å; L272-Q276 WeakPolarHBondContact O-CG 3.3Å; L272-Q276 PolarHBondContact O-N 2.93Å
273R93.5Very high93.6Very high213 Ų21376.2 Ų76.280%0.80440%0.401SS*.Hα-helixtrans-61.3-42.5175.3-177.5178.8178.3178.9-0.4112.2T271 G277T271-R273 PolarHBondContact O-N 3.45Å; R273-G277 PolarHBondContact O-N 2.92Å
274L95.7Very high93.1Very high38 Ų3871.4 Ų71.420%0.19939%0.389CS..Hα-helixtrans-67-40.4177.3-17764.1000111.2P219 E220 I223 G269 T271 L272 Q276 G277 V278P219-L274 HydrophobicContact CB-CD2 3.64Å; P219-L274 HydrophobicContact CG-CD2 3.65Å; E220-L274 HydrophobicContact CG-CD1 4.23Å; I223-L274 HydrophobicContact CD1-CB 4.32Å; I223-L274 HydrophobicContact CD1-CD2 3.86Å; I223-L274 HydrophobicContact CD1-CG 3.68Å; G269-L274 WeakPolarHBondContact O-CD2 3.47Å; T271-L274 PolarHBondContact O-N 3.34Å; T271-L274 WeakPolarHBondContact OG1-CB 3.39Å; T271-L274 PolarHBondContact OG1-N 2.93Å; T271-L274 VanDerWaalsContact OG1-N 3.17Å; L272-L274 PolarHBondContact O-N 2.93Å; L274-Q276 PolarHBondContact O-N 2.89Å; L274-G277 WeakPolarHBondContact O-CA 3.38Å; L274-G277 PolarHBondContact O-N 3.08Å; L274-G277 VanDerWaalsContact O-N 3.16Å; L274-V278 HydrophobicContact CD1-CG2 4.25Å; L274-V278 HydrophobicContact CG-CG2 4.39Å; L274-V278 WeakPolarHBondContact O-CG2 3.37Å; L274-V278 PolarHBondContact O-N 3.06Å
275V96.5Very high92.8Very high0 Ų066.3 Ų66.30%037%0.369CS..Hα-helixtrans-58.6-49.4175.5173.40000110.8I223 I251 I254 Y255 V270 T271 L272 G277 V278 V279I223-V275 HydrophobicContact CD1-CG2 3.88Å; I223-V275 HydrophobicContact CG1-CG2 3.94Å; I223-V275 HydrophobicContact CG2-CG1 4.46Å; I223-V275 HydrophobicContact CG2-CG2 4.49Å; I251-V275 HydrophobicContact CG2-CG1 4.16Å; I254-V275 HydrophobicContact CB-CG1 4.04Å; I254-V275 HydrophobicContact CG2-CG1 3.63Å; Y255-V275 HydrophobicContact CD2-CG2 3.97Å; Y255-V275 HydrophobicContact CG-CG2 4.48Å; V270-V275 HydrophobicContact CG1-CG2 4.26Å; T271-V275 WeakPolarHBondContact O-CG2 3.46Å; T271-V275 PolarHBondContact O-N 3.09Å; L272-V275 PolarHBondContact O-N 3.03Å; V275-G277 VanDerWaalsContact C-N 3.29Å; V275-G277 PolarHBondContact O-N 3.45Å; V275-V278 PolarHBondContact O-N 3.4Å; V275-V279 HydrophobicContact CG1-CG2 4.05Å; V275-V279 WeakPolarHBondContact O-CB 3.27Å; V275-V279 VanDerWaalsContact O-CG2 3.26Å; V275-V279 WeakPolarHBondContact O-CG2 3.18Å; V275-V279 PolarHBondContact O-N 2.92Å
276Q93.1Very high92.6Very high81 Ų8164.4 Ų64.438%0.37936%0.364SS..Hα-helixtrans-57.6-44.6174.6-71.7178.1-35.600111.6I251 L272 L274 V278 K280 I282I251-Q276 HydrophobicContact CG2-CG 3.68Å; L272-Q276 WeakPolarHBondContact O-CG 3.3Å; L272-Q276 PolarHBondContact O-N 2.93Å; L274-Q276 PolarHBondContact O-N 2.89Å; Q276-V278 PolarHBondContact O-N 3.12Å; Q276-K280 WeakPolarHBondContact O-CB 3.3Å; Q276-K280 PolarHBondContact O-N 3.44Å; Q276-I282 HydrophobicContact CB-CD1 4.19Å
277G92.3Very high92.7Very high23 Ų2363.1 Ų63.124%0.23735%0.347CS..Hα-helixtrans-56.5-48.2177.100000113.2R273 L274 V275 R281 I282R273-G277 PolarHBondContact O-N 2.92Å; L274-G277 WeakPolarHBondContact O-CA 3.38Å; L274-G277 PolarHBondContact O-N 3.08Å; L274-G277 VanDerWaalsContact O-N 3.16Å; V275-G277 VanDerWaalsContact C-N 3.29Å; V275-G277 PolarHBondContact O-N 3.45Å; G277-R281 CarbonylContact O-C 3.04Å; G277-R281 WeakPolarHBondContact O-CA 3.4Å; G277-R281 PolarHBondContact O-N 2.79Å; G277-I282 PolarHBondContact O-N 2.94Å
278V92.8Very high92.7Very high18 Ų1864.7 Ų64.711%0.10936%0.36CS..Hα-helixtrans-72.2-48.5-179.31740000111.4E220 I223 E224 L274 V275 Q276 R281E220-V278 HydrophobicContact CB-CG2 4.22Å; E220-V278 HydrophobicContact CG-CG2 3.81Å; I223-V278 HydrophobicContact CB-CB 4.37Å; I223-V278 HydrophobicContact CB-CG1 4.08Å; I223-V278 HydrophobicContact CD1-CB 4.47Å; I223-V278 HydrophobicContact CD1-CG2 4.05Å; I223-V278 HydrophobicContact CG2-CB 3.81Å; I223-V278 HydrophobicContact CG2-CG1 3.63Å; I223-V278 HydrophobicContact CG2-CG2 4.48Å; E224-V278 HydrophobicContact CG-CG1 3.91Å; E224-V278 WeakPolarHBondContact OE1-CG1 3.29Å; L274-V278 HydrophobicContact CD1-CG2 4.25Å; L274-V278 HydrophobicContact CG-CG2 4.39Å; L274-V278 WeakPolarHBondContact O-CG2 3.37Å; L274-V278 PolarHBondContact O-N 3.06Å; V275-V278 PolarHBondContact O-N 3.4Å; Q276-V278 PolarHBondContact O-N 3.12Å; V278-R281 PolarHBondContact O-N 2.79Å
279V93.1Very high92.8Very high21 Ų2159.9 Ų59.913%0.12733%0.326CS..Hα-helixtrans-63.7-47.2-176.6172.70000111.3I223 I243 I251 I254 V275 R281I223-V279 HydrophobicContact CG2-CG2 4.3Å; I243-V279 HydrophobicContact CG2-CG1 3.78Å; I251-V279 HydrophobicContact CD1-CB 3.96Å; I251-V279 HydrophobicContact CD1-CG1 3.79Å; I251-V279 HydrophobicContact CD1-CG2 4.22Å; I254-V279 HydrophobicContact CD1-CG1 4.43Å; I254-V279 HydrophobicContact CD1-CG2 3.86Å; I254-V279 HydrophobicContact CG2-CG2 4.09Å; V275-V279 HydrophobicContact CG1-CG2 4.05Å; V275-V279 WeakPolarHBondContact O-CB 3.27Å; V275-V279 VanDerWaalsContact O-CG2 3.26Å; V275-V279 WeakPolarHBondContact O-CG2 3.18Å; V275-V279 PolarHBondContact O-N 2.92Å; V279-R281 VanDerWaalsContact C-N 3.34Å
280K88.7Confident92.9Very high80 Ų8058 Ų5835%0.34831%0.305SS..THydrogen-bonded Turntrans-87.4-1.4-179.6-58.6-177.967.11640113.4G245 D246 Q276 I282G245-K280 WeakPolarHBondContact O-CD 3.37Å; D246-K280 WeakPolarHBondContact OD1-CE 3.19Å; D246-K280 IonicContact OD1-NZ 3.7Å; D246-K280 PolarHBondContact OD1-NZ 2.69Å; Q276-K280 WeakPolarHBondContact O-CB 3.3Å; Q276-K280 PolarHBondContact O-N 3.44Å; K280-I282 VanDerWaalsContact C-N 3.27Å; K280-I282 HydrophobicContact CB-CD1 4.32Å; K280-I282 HydrophobicContact CB-CG1 3.7Å; K280-I282 HydrophobicContact CD-CD1 4.37Å; K280-I282 PolarHBondContact O-N 2.85Å
281R87.2Confident92.9Very high142 Ų14258.5 Ų58.554%0.53631%0.312SS..THydrogen-bonded Turntrans48.248.3-172.1-60.7-178.9176.8-95-7.2112G277 V278 V279 I283G277-R281 CarbonylContact O-C 3.04Å; G277-R281 WeakPolarHBondContact O-CA 3.4Å; G277-R281 PolarHBondContact O-N 2.79Å; V278-R281 PolarHBondContact O-N 2.79Å; V279-R281 VanDerWaalsContact C-N 3.34Å; R281-I283 PolarHBondContact O-N 2.89Å
282I84.8Confident93Very high91 Ų9158 Ų5847%0.46731%0.309SS..PPolyproline II helixtrans-63.7119.4-172.1-57.6-178.6000110.3Q276 G277 K280Q276-I282 HydrophobicContact CB-CD1 4.19Å; G277-I282 PolarHBondContact O-N 2.94Å; K280-I282 VanDerWaalsContact C-N 3.27Å; K280-I282 HydrophobicContact CB-CD1 4.32Å; K280-I282 HydrophobicContact CB-CG1 3.7Å; K280-I282 HydrophobicContact CD-CD1 4.37Å; K280-I282 PolarHBondContact O-N 2.85Å
283I83.8Confident93.2Very high88 Ų8854.8 Ų54.845%0.45129%0.292SS..PPolyproline II helixtrans-86.4122.5167.9-58.6177.4000108.1E177 R281 A285E177-I283 HydrophobicContact CB-CG2 3.9Å; E177-I283 HydrophobicContact CG-CG2 3.64Å; R281-I283 PolarHBondContact O-N 2.89Å; I283-A285 PolarHBondContact O-N 3.44Å
284P86.7Confident93.4Very high83 Ų8344.6 Ų44.654%0.53925%0.253SS..PPolyproline II helixtrans-55.5137.5174.8-24.634.4000111.1G178G178-P284 WeakPolarHBondContact CA-O 3.03Å; G178-P284 PolarHBondContact N-O 3.33Å
285A89.4Confident93.6Very high25 Ų2544.9 Ų44.921%0.20726%0.261CS..BIsolated β-bridgetrans-148.1131.4-178.400000111.7R83 I283R83-A285 VanDerWaalsContact CD-CB 3.5Å; R83-A285 VanDerWaalsContact NE-CB 3.32Å; I283-A285 PolarHBondContact O-N 3.44Å
286V93.9Very high93.7Very high45 Ų4545.8 Ų45.827%0.27327%0.269SS..  trans-125.4154.2-179.5-65.40000111.2F179 S288 T289 N290F179-V286 HydrophobicContact CD1-CG2 4.33Å; F179-V286 HydrophobicContact CE1-CG2 4.16Å; V286-S288 VanDerWaalsContact C-N 3.34Å; V286-S288 WeakPolarHBondContact CG2-OG 3.44Å; V286-S288 PolarHBondContact O-N 3.48Å; V286-T289 WeakPolarHBondContact CG2-OG1 3.2Å; V286-N290 PolarHBondContact O-N 3.23Å; V286-N290 PolarHBondContact O-ND2 2.87Å
287A97.1Very high93.9Very high47 Ų4742 Ų4239%0.38825%0.251SS..Hα-helixtrans-64.1-37.5-177.700000112.7R83 N290 A291R83-A287 HydrophobicContact CB-CB 4.26Å; A287-N290 PolarHBondContact O-N 3.49Å; A287-A291 WeakPolarHBondContact O-CB 3.29Å; A287-A291 PolarHBondContact O-N 3.4Å
288S97.6Very high94.2Very high59 Ų5940.9 Ų40.941%0.41324%0.239SC..Hα-helixtrans-57.6-53.4-177.949.60000112.6V286 N290 A291 V292V286-S288 VanDerWaalsContact C-N 3.34Å; V286-S288 WeakPolarHBondContact CG2-OG 3.44Å; V286-S288 PolarHBondContact O-N 3.48Å; S288-N290 VanDerWaalsContact C-N 3.35Å; S288-N290 PolarHBondContact O-N 3.26Å; S288-A291 WeakPolarHBondContact O-CB 3.41Å; S288-A291 PolarHBondContact O-N 3.41Å; S288-A291 VanDerWaalsContact O-N 3.13Å; S288-V292 WeakPolarHBondContact O-CG2 3.47Å; S288-V292 PolarHBondContact O-N 2.86Å
289T97.6Very high94.5Very high1 Ų142.7 Ų42.71%0.00625%0.25CS..Hα-helixtrans-64.3-39.4-179.1-47.40000111.7T176 G178 K180 V286 A291 V292 I293 F318T176-T289 HydrophobicContact CG2-CG2 4.15Å; G178-T289 WeakPolarHBondContact O-CB 3.17Å; G178-T289 PolarHBondContact O-OG1 2.75Å; K180-T289 VanDerWaalsContact O-CG2 3.3Å; K180-T289 WeakPolarHBondContact O-CG2 3.25Å; V286-T289 WeakPolarHBondContact CG2-OG1 3.2Å; T289-A291 VanDerWaalsContact C-N 3.34Å; T289-A291 PolarHBondContact O-N 2.94Å; T289-V292 PolarHBondContact O-N 3.3Å; T289-I293 WeakPolarHBondContact O-CG1 3.48Å; T289-I293 PolarHBondContact O-N 3.08Å; T289-I293 VanDerWaalsContact O-N 3.09Å; T289-F318 HydrophobicContact CG2-CD1 4.07Å; T289-F318 HydrophobicContact CG2-CE1 3.95Å
290N97.9Very high94.7Very high5 Ų542.4 Ų42.43%0.02725%0.248CC..Hα-helixtrans-61.8-41.3172.9-73.8-67000112L52 T176 V286 A287 S288 A294L52-N290 WeakPolarHBondContact CD1-O 3.38Å; L52-N290 PolarHBondContact N-OD1 2.78Å; T176-N290 PolarHBondContact OG1-OD1 3.26Å; V286-N290 PolarHBondContact O-N 3.23Å; V286-N290 PolarHBondContact O-ND2 2.87Å; A287-N290 PolarHBondContact O-N 3.49Å; S288-N290 VanDerWaalsContact C-N 3.35Å; S288-N290 PolarHBondContact O-N 3.26Å; N290-A294 WeakPolarHBondContact O-CB 3.49Å; N290-A294 PolarHBondContact O-N 2.89Å
291A98.4Very high95.2Very high31 Ų3138.6 Ų38.626%0.25623%0.231SC..Hα-helixtrans-65-42.5177.400000112.4E55 A287 S288 T289 A295E55-A291 HydrophobicContact CG-CB 4.26Å; A287-A291 WeakPolarHBondContact O-CB 3.29Å; A287-A291 PolarHBondContact O-N 3.4Å; S288-A291 WeakPolarHBondContact O-CB 3.41Å; S288-A291 PolarHBondContact O-N 3.41Å; S288-A291 VanDerWaalsContact O-N 3.13Å; T289-A291 VanDerWaalsContact C-N 3.34Å; T289-A291 PolarHBondContact O-N 2.94Å; A291-A295 WeakPolarHBondContact O-CB 3.38Å; A291-A295 PolarHBondContact O-N 3.48Å
292V98.4Very high95.7Very high59 Ų5932.2 Ų32.236%0.35821%0.208SC..Hα-helixtrans-60.9-52.2177.3173.10000111.1S288 T289 A295 A296 F318S288-V292 WeakPolarHBondContact O-CG2 3.47Å; S288-V292 PolarHBondContact O-N 2.86Å; T289-V292 PolarHBondContact O-N 3.3Å; V292-A295 PolarHBondContact O-N 3.36Å; V292-A296 PolarHBondContact O-N 3.39Å; V292-A296 VanDerWaalsContact O-N 3.11Å; V292-F318 HydrophobicContact CB-CE2 4.42Å; V292-F318 HydrophobicContact CB-CZ 4.34Å; V292-F318 HydrophobicContact CG1-CD1 4.42Å; V292-F318 HydrophobicContact CG1-CD2 3.72Å; V292-F318 HydrophobicContact CG1-CE1 4.46Å; V292-F318 HydrophobicContact CG1-CE2 3.73Å; V292-F318 HydrophobicContact CG1-CG 4.06Å; V292-F318 HydrophobicContact CG1-CZ 4.11Å; V292-F318 HydrophobicContact CG2-CE2 4.28Å; V292-F318 HydrophobicContact CG2-CZ 4.08Å
293I98.5Very high96.3Very high0 Ų030 Ų300%019%0.194CC..Hα-helixtrans-67.1-41.5-177.6-62.8-53.5000111.4L52 T176 H182 V183 T289 A295 A296 C297 F318L52-I293 HydrophobicContact CD1-CB 3.81Å; L52-I293 HydrophobicContact CD1-CG2 3.7Å; L52-I293 HydrophobicContact CD2-CG2 4.17Å; T176-I293 HydrophobicContact CG2-CB 3.95Å; T176-I293 HydrophobicContact CG2-CG1 3.76Å; T176-I293 HydrophobicContact CG2-CG2 4.32Å; H182-I293 VanDerWaalsContact O-CG2 3.29Å; H182-I293 WeakPolarHBondContact O-CG2 3.46Å; V183-I293 HydrophobicContact CG2-CD1 4.34Å; V183-I293 HydrophobicContact CG2-CG2 4.04Å; T289-I293 WeakPolarHBondContact O-CG1 3.48Å; T289-I293 PolarHBondContact O-N 3.08Å; T289-I293 VanDerWaalsContact O-N 3.09Å; I293-A295 VanDerWaalsContact C-N 3.33Å; I293-A295 PolarHBondContact O-N 3.44Å; I293-A296 PolarHBondContact O-N 3.48Å; I293-C297 WeakPolarHBondContact O-CB 3.42Å; I293-C297 PolarHBondContact O-N 3.13Å; I293-C297 PolarHBondContact O-SG 2.97Å; I293-F318 HydrophobicContact CD1-CB 3.83Å; I293-F318 HydrophobicContact CD1-CG 4.38Å
294A98.7Very high96.9Very high0 Ų026.2 Ų26.20%018%0.175CC..Hα-helixtrans-66.6-34.3177.300000112.7L52 E55 L56 N59 N290 A298L52-A294 HydrophobicContact CD1-CB 3.67Å; L52-A294 VanDerWaalsContact CD1-N 3.35Å; E55-A294 HydrophobicContact CB-CB 3.28Å; E55-A294 HydrophobicContact CG-CB 4.34Å; L56-A294 HydrophobicContact CD2-CB 4.09Å; L56-A294 HydrophobicContact CG-CB 4.05Å; N59-A294 VanDerWaalsContact ND2-C 3.34Å; N59-A294 PolarHBondContact ND2-O 2.98Å; N290-A294 WeakPolarHBondContact O-CB 3.49Å; N290-A294 PolarHBondContact O-N 2.89Å; A294-A298 VanDerWaalsContact O-CB 3.27Å; A294-A298 WeakPolarHBondContact O-CB 3.46Å; A294-A298 PolarHBondContact O-N 3.04Å
295A98.7Very high97.3Very high44 Ų4423.4 Ų23.436%0.36416%0.155SC..Hα-helixtrans-64.9-45175.800000110.8N59 A291 V292 I293 T299N59-A295 PolarHBondContact ND2-N 3.43Å; A291-A295 WeakPolarHBondContact O-CB 3.38Å; A291-A295 PolarHBondContact O-N 3.48Å; V292-A295 PolarHBondContact O-N 3.36Å; I293-A295 VanDerWaalsContact C-N 3.33Å; I293-A295 PolarHBondContact O-N 3.44Å; A295-T299 WeakPolarHBondContact O-CB 3.44Å; A295-T299 PolarHBondContact O-N 3.45Å; A295-T299 PolarHBondContact O-OG1 3.37Å
296A98.4Very high97.6Very high19 Ų1922.4 Ų22.416%0.15715%0.147CC..Hα-helixtrans-62.1-49.8174.800000111.3V183 V292 I293 A298 T299 E300 M316V183-A296 HydrophobicContact CG2-CB 3.76Å; V292-A296 PolarHBondContact O-N 3.39Å; V292-A296 VanDerWaalsContact O-N 3.11Å; I293-A296 PolarHBondContact O-N 3.48Å; A296-A298 PolarHBondContact O-N 3.01Å; A296-T299 WeakPolarHBondContact O-CB 3.5Å; A296-T299 PolarHBondContact O-N 2.98Å; A296-E300 WeakPolarHBondContact O-CG 3.34Å; A296-E300 PolarHBondContact O-N 2.91Å; A296-M316 HydrophobicContact CB-CE 3.69Å
297C98.8Very high97.7Very high0 Ų024.9 Ų24.90%015%0.154CC..Hα-helixtrans-56.6-50.2177.5-68.50000112.7L56 V135 V172 I293 T299 E300 V301L56-C297 HydrophobicContact CD2-CB 3.67Å; V135-C297 HydrophobicContact CG1-CB 4.25Å; V172-C297 HydrophobicContact CG1-CB 3.77Å; I293-C297 WeakPolarHBondContact O-CB 3.42Å; I293-C297 PolarHBondContact O-N 3.13Å; I293-C297 PolarHBondContact O-SG 2.97Å; C297-T299 VanDerWaalsContact C-N 3.27Å; C297-T299 PolarHBondContact O-N 2.68Å; C297-E300 PolarHBondContact O-N 2.88Å; C297-E300 VanDerWaalsContact O-N 3.15Å; C297-V301 VanDerWaalsContact O-CG2 3.31Å; C297-V301 WeakPolarHBondContact O-CG2 3.47Å; C297-V301 PolarHBondContact O-N 3.49Å
298A98.6Very high97.6Very high0 Ų022.7 Ų22.70%014%0.136CC..Hα-helixtrans-64.1-34.1-179.900000112.4L56 N59 L60 M63 A294 A296 V301 F302L56-A298 HydrophobicContact CD2-CB 4.5Å; N59-A298 HydrophobicContact CB-CB 3.5Å; N59-A298 VanDerWaalsContact CB-CB 3.5Å; L60-A298 HydrophobicContact CD2-CB 4.19Å; L60-A298 HydrophobicContact CG-CB 4.42Å; M63-A298 HydrophobicContact SD-CB 3.85Å; A294-A298 VanDerWaalsContact O-CB 3.27Å; A294-A298 WeakPolarHBondContact O-CB 3.46Å; A294-A298 PolarHBondContact O-N 3.04Å; A296-A298 PolarHBondContact O-N 3.01Å; A298-V301 PolarHBondContact O-N 2.75Å; A298-F302 PolarHBondContact O-N 2.78Å
299T98.4Very high97.5Very high56 Ų5623.8 Ų23.834%0.34413%0.131SC..Hα-helixtrans-62.4-45.1172.7-61.20000111.3A295 A296 C297 F302 K303A295-T299 WeakPolarHBondContact O-CB 3.44Å; A295-T299 PolarHBondContact O-N 3.45Å; A295-T299 PolarHBondContact O-OG1 3.37Å; A296-T299 WeakPolarHBondContact O-CB 3.5Å; A296-T299 PolarHBondContact O-N 2.98Å; C297-T299 VanDerWaalsContact C-N 3.27Å; C297-T299 PolarHBondContact O-N 2.68Å; T299-F302 PolarHBondContact O-N 2.96Å; T299-K303 HydrophobicContact CG2-CD 4.28Å; T299-K303 WeakPolarHBondContact O-CG 3.36Å; T299-K303 PolarHBondContact O-N 3.38Å
300E98.4Very high97.4Very high15 Ų1529.2 Ų29.27%0.0716%0.161CC..Hα-helixtrans-66.3-39.4178.4-63-43.8126.300112.4V172 V185 A296 C297 F302 K303 L304 Y311 L312V172-E300 HydrophobicContact CG1-CB 4.41Å; V172-E300 HydrophobicContact CG2-CB 4.49Å; V185-E300 HydrophobicContact CG2-CB 3.91Å; V185-E300 HydrophobicContact CG2-CG 3.99Å; A296-E300 WeakPolarHBondContact O-CG 3.34Å; A296-E300 PolarHBondContact O-N 2.91Å; C297-E300 PolarHBondContact O-N 2.88Å; C297-E300 VanDerWaalsContact O-N 3.15Å; E300-F302 VanDerWaalsContact C-N 3.3Å; E300-F302 PolarHBondContact O-N 3.44Å; E300-K303 PolarHBondContact O-N 3Å; E300-K303 IonicContact OE1-NZ 3.08Å; E300-K303 PolarHBondContact OE1-NZ 3.03Å; E300-K303 WeakPolarHBondContact OE2-CD 3.45Å; E300-K303 IonicContact OE2-NZ 3.52Å; E300-L304 WeakPolarHBondContact O-CB 3.48Å; E300-L304 WeakPolarHBondContact O-CD1 3.14Å; E300-L304 WeakPolarHBondContact O-CG 3.42Å; E300-L304 PolarHBondContact O-N 3.49Å; E300-Y311 WeakPolarHBondContact OE2-CA 3.32Å; E300-Y311 WeakPolarHBondContact OE2-CB 3.46Å; E300-L312 HydrophobicContact CG-CB 3.98Å; E300-L312 PolarHBondContact OE2-N 3.31Å
301V98.5Very high97.2Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-57.9-45.5172.5175.40000110.9I44 L60 F65 V135 V172 C297 A298 K303 L304 I305I44-V301 HydrophobicContact CD1-CG1 3.88Å; I44-V301 HydrophobicContact CG1-CG1 4.46Å; L60-V301 HydrophobicContact CD2-CB 4.08Å; L60-V301 HydrophobicContact CD2-CG1 3.81Å; L60-V301 HydrophobicContact CD2-CG2 4.49Å; F65-V301 HydrophobicContact CE2-CG1 4.32Å; F65-V301 HydrophobicContact CZ-CG1 4Å; V135-V301 HydrophobicContact CB-CG2 4.43Å; V135-V301 HydrophobicContact CG1-CG2 4.22Å; V135-V301 HydrophobicContact CG2-CG1 4.44Å; V135-V301 HydrophobicContact CG2-CG2 3.36Å; V172-V301 HydrophobicContact CB-CG2 4.05Å; V172-V301 HydrophobicContact CG1-CG2 4.45Å; V172-V301 HydrophobicContact CG2-CG2 3.78Å; C297-V301 VanDerWaalsContact O-CG2 3.31Å; C297-V301 WeakPolarHBondContact O-CG2 3.47Å; C297-V301 PolarHBondContact O-N 3.49Å; A298-V301 PolarHBondContact O-N 2.75Å; V301-K303 PolarHBondContact O-N 3.49Å; V301-L304 PolarHBondContact O-N 3.09Å; V301-I305 HydrophobicContact CG1-CG1 4.41Å; V301-I305 WeakPolarHBondContact O-CB 3.39Å; V301-I305 VanDerWaalsContact O-CG1 3.28Å; V301-I305 WeakPolarHBondContact O-CG1 3.2Å; V301-I305 PolarHBondContact O-N 3.42Å
302F97.8Very high97Very high9 Ų932.3 Ų32.34%0.03917%0.168CC..Hα-helixtrans-61.8-44.4177.9-174.9-95.5000112.4L13 I16 L17 M63 F65 A298 T299 E300 I305 T306L13-F302 HydrophobicContact CD2-CE2 3.99Å; L13-F302 HydrophobicContact CD2-CZ 4.04Å; I16-F302 HydrophobicContact CG2-CE1 4.14Å; L17-F302 HydrophobicContact CD1-CE2 4.44Å; L17-F302 HydrophobicContact CD1-CZ 4.01Å; L17-F302 HydrophobicContact CD2-CE1 4.23Å; L17-F302 HydrophobicContact CD2-CZ 3.82Å; L17-F302 HydrophobicContact CG-CZ 4Å; M63-F302 HydrophobicContact CB-CD2 4.39Å; M63-F302 HydrophobicContact CE-CB 3.28Å; M63-F302 HydrophobicContact CE-CD1 4.24Å; M63-F302 HydrophobicContact CE-CD2 3.96Å; M63-F302 HydrophobicContact CE-CG 3.58Å; F65-F302 HydrophobicContact CE2-CB 4.34Å; F65-F302 HydrophobicContact CE2-CD2 4.09Å; F65-F302 HydrophobicContact CZ-CB 4.48Å; F65-F302 HydrophobicContact CZ-CD2 4.25Å; A298-F302 PolarHBondContact O-N 2.78Å; T299-F302 PolarHBondContact O-N 2.96Å; E300-F302 VanDerWaalsContact C-N 3.3Å; E300-F302 PolarHBondContact O-N 3.44Å; F302-I305 PolarHBondContact O-N 2.93Å; F302-T306 HydrophobicContact CD2-CG2 4.23Å; F302-T306 HydrophobicContact CE1-CG2 4.34Å; F302-T306 HydrophobicContact CE2-CG2 4Å; F302-T306 HydrophobicContact CZ-CG2 4.06Å; F302-T306 WeakPolarHBondContact O-CB 3.44Å; F302-T306 WeakPolarHBondContact O-CG2 3.44Å; F302-T306 PolarHBondContact O-N 2.96Å; F302-T306 PolarHBondContact O-OG1 3.42Å
303K97.4Very high96.7Very high43 Ų4334.2 Ų34.219%0.18718%0.176CC..Hα-helixtrans-63.9-42.4176.4-67.5169.6178.7172.10112.3T299 E300 V301 I305 F307T299-K303 HydrophobicContact CG2-CD 4.28Å; T299-K303 WeakPolarHBondContact O-CG 3.36Å; T299-K303 PolarHBondContact O-N 3.38Å; E300-K303 PolarHBondContact O-N 3Å; E300-K303 IonicContact OE1-NZ 3.08Å; E300-K303 PolarHBondContact OE1-NZ 3.03Å; E300-K303 WeakPolarHBondContact OE2-CD 3.45Å; E300-K303 IonicContact OE2-NZ 3.52Å; V301-K303 PolarHBondContact O-N 3.49Å; K303-I305 VanDerWaalsContact C-N 3.35Å; K303-I305 PolarHBondContact O-N 3.39Å; K303-F307 VanDerWaalsContact O-CA 3.26Å; K303-F307 WeakPolarHBondContact O-CA 3.45Å; K303-F307 PolarHBondContact O-N 2.89Å
304L95.9Very high96.4Very high10 Ų1034.2 Ų34.25%0.05218%0.176CC..Hα-helixtrans-63.1-39.9179.1-74.7163.1000112.2P170 V172 V185 L187 E300 V301 F307 Y311P170-L304 HydrophobicContact CB-CD1 4.06Å; V172-L304 HydrophobicContact CG2-CD1 3.57Å; V185-L304 HydrophobicContact CG1-CD1 3.88Å; V185-L304 HydrophobicContact CG1-CD2 4.23Å; L187-L304 HydrophobicContact CD1-CD2 4.36Å; L187-L304 HydrophobicContact CD2-CD2 4.13Å; E300-L304 WeakPolarHBondContact O-CB 3.48Å; E300-L304 WeakPolarHBondContact O-CD1 3.14Å; E300-L304 WeakPolarHBondContact O-CG 3.42Å; E300-L304 PolarHBondContact O-N 3.49Å; V301-L304 PolarHBondContact O-N 3.09Å; L304-F307 WeakPolarHBondContact O-CE2 3.34Å; L304-Y311 HydrophobicContact CD2-CD1 3.51Å; L304-Y311 HydrophobicContact CD2-CD2 4.28Å; L304-Y311 HydrophobicContact CD2-CE1 3.93Å; L304-Y311 HydrophobicContact CD2-CG 3.7Å; L304-Y311 HydrophobicContact CG-CD1 4.28Å; L304-Y311 HydrophobicContact CG-CG 4.32Å
305I96.1Very high96.3Very high23 Ų2335.6 Ų35.612%0.11818%0.181CC..Hα-helixtrans-76.9-42.2-179.4-67-62.6000112V38 V42 I44 F65 N132 A133 V301 F302 K303V38-I305 HydrophobicContact CG2-CG2 4.13Å; V42-I305 HydrophobicContact CB-CG2 4.44Å; V42-I305 HydrophobicContact CG1-CD1 3.93Å; V42-I305 HydrophobicContact CG1-CG1 4.17Å; V42-I305 HydrophobicContact CG1-CG2 3.98Å; V42-I305 HydrophobicContact CG2-CG2 3.74Å; I44-I305 HydrophobicContact CD1-CD1 4.25Å; I44-I305 HydrophobicContact CD1-CG1 4.25Å; F65-I305 HydrophobicContact CE1-CB 4.34Å; F65-I305 HydrophobicContact CE1-CG1 4.09Å; F65-I305 HydrophobicContact CE1-CG2 4.18Å; F65-I305 HydrophobicContact CZ-CB 4.41Å; F65-I305 HydrophobicContact CZ-CG1 4.3Å; N132-I305 HydrophobicContact CB-CD1 3.8Å; A133-I305 HydrophobicContact CB-CD1 4.27Å; V301-I305 HydrophobicContact CG1-CG1 4.41Å; V301-I305 WeakPolarHBondContact O-CB 3.39Å; V301-I305 VanDerWaalsContact O-CG1 3.28Å; V301-I305 WeakPolarHBondContact O-CG1 3.2Å; V301-I305 PolarHBondContact O-N 3.42Å; F302-I305 PolarHBondContact O-N 2.93Å; K303-I305 VanDerWaalsContact C-N 3.35Å; K303-I305 PolarHBondContact O-N 3.39Å
306T95.4Very high96.3Very high5 Ų535.1 Ų35.13%0.03117%0.172CC..Hα-helixtrans-95.9-12.6-170.462.40000113.7L17 F28 V38 F302 C308L17-T306 HydrophobicContact CD2-CG2 3.88Å; F28-T306 WeakPolarHBondContact CD2-O 2.91Å; F28-T306 WeakPolarHBondContact CE2-O 3.3Å; V38-T306 HydrophobicContact CG2-CG2 3.76Å; F302-T306 HydrophobicContact CD2-CG2 4.23Å; F302-T306 HydrophobicContact CE1-CG2 4.34Å; F302-T306 HydrophobicContact CE2-CG2 4Å; F302-T306 HydrophobicContact CZ-CG2 4.06Å; F302-T306 WeakPolarHBondContact O-CB 3.44Å; F302-T306 WeakPolarHBondContact O-CG2 3.44Å; F302-T306 PolarHBondContact O-N 2.96Å; F302-T306 PolarHBondContact O-OG1 3.42Å; T306-C308 PolarHBondContact O-N 2.77Å; T306-C308 PolarHBondContact OG1-SG 3.43Å
307F94.3Very high96.1Very high96 Ų9636.6 Ų36.642%0.42118%0.177SC..  trans56.911.5-174.5-66.7-99.9000114.6R25 F28 K303 L304 Y309R25-F307 WeakPolarHBondContact CB-O 3.45Å; R25-F307 WeakPolarHBondContact CD-O 3.3Å; R25-F307 VanDerWaalsContact NH1-CD1 3.27Å; F28-F307 WeakPolarHBondContact CB-O 3.24Å; K303-F307 VanDerWaalsContact O-CA 3.26Å; K303-F307 WeakPolarHBondContact O-CA 3.45Å; K303-F307 PolarHBondContact O-N 2.89Å; L304-F307 WeakPolarHBondContact O-CE2 3.34Å; F307-Y309 VanDerWaalsContact C-N 3.31Å; F307-Y309 PolarHBondContact O-N 2.96Å
308C95.6Very high96.1Very high1 Ų137.1 Ų37.11%0.00718%0.18CC..SBendtrans-60.7-35.3-173.759.90000113.9I16 L17 H24 F28 T306I16-C308 HydrophobicContact CG2-CB 4.05Å; L17-C308 HydrophobicContact CD2-CB 4.43Å; H24-C308 VanDerWaalsContact CA-O 3.25Å; H24-C308 WeakPolarHBondContact CA-O 3.25Å; H24-C308 WeakPolarHBondContact CB-O 3.4Å; H24-C308 PolarHBondContact CD2-O 3.16Å; F28-C308 VanDerWaalsContact CD2-CA 3.45Å; F28-C308 HydrophobicContact CD2-CB 4.07Å; F28-C308 HydrophobicContact CE1-CB 4.34Å; F28-C308 HydrophobicContact CE2-CB 3.76Å; F28-C308 HydrophobicContact CG-CB 4.49Å; F28-C308 HydrophobicContact CZ-CB 3.92Å; T306-C308 PolarHBondContact O-N 2.77Å; T306-C308 PolarHBondContact OG1-SG 3.43Å
309Y96.7Very high96Very high82 Ų8238.3 Ų38.332%0.32219%0.188SC..BIsolated β-bridgetrans-136.5166.2176.6-66.6-81.1000110.5I16 F23 H24 R25 F307 Y311I16-Y309 HydrophobicContact CG2-CE2 3.89Å; F23-Y309 HydrophobicContact CB-CD1 4.15Å; F23-Y309 HydrophobicContact CB-CE1 3.96Å; F23-Y309 VanDerWaalsContact O-CD1 3.3Å; F23-Y309 WeakPolarHBondContact O-CD1 3.07Å; H24-Y309 AromaticContact CD2-CD1 3.88Å; H24-Y309 AromaticContact CD2-CE1 3.35Å; H24-Y309 WeakPolarHBondContact CD2-CE1 3.49Å; H24-Y309 AromaticContact CD2-CE2 3.98Å; H24-Y309 AromaticContact CD2-CZ 3.4Å; H24-Y309 VanDerWaalsContact CD2-CZ 3.4Å; H24-Y309 AromaticContact NE2-CE1 3.76Å; H24-Y309 AromaticContact NE2-CE2 3.9Å; H24-Y309 AromaticContact NE2-CZ 3.33Å; H24-Y309 VanDerWaalsContact NE2-CZ 3.33Å; H24-Y309 PolarHBondContact NE2-OH 2.81Å; H24-Y309 VanDerWaalsContact NE2-OH 3.1Å; R25-Y309 WeakPolarHBondContact CD-O 3.2Å; F307-Y309 VanDerWaalsContact C-N 3.31Å; F307-Y309 PolarHBondContact O-N 2.96Å; Y309-Y311 PolarHBondContact O-N 3.43Å
310N94.5Very high95.8Very high116 Ų11637.8 Ų37.862%0.6218%0.183SC*.PPolyproline II helixtrans-59128164.8-69.7-33.3000109.5R25R25-N310 WeakPolarHBondContact CG-OD1 3.48Å
311Y93.6Very high95.6Very high68 Ų6842.2 Ų42.227%0.26721%0.206SC..PPolyproline II helixtrans-73.5163.8168.747.9-102.4000110.2L187 E300 L304 Y309 D313L187-Y311 HydrophobicContact CD1-CE1 4.21Å; L187-Y311 HydrophobicContact CD1-CE2 3.87Å; L187-Y311 VanDerWaalsContact CD1-OH 3.26Å; L187-Y311 WeakPolarHBondContact CD1-OH 3.02Å; E300-Y311 WeakPolarHBondContact OE2-CA 3.32Å; E300-Y311 WeakPolarHBondContact OE2-CB 3.46Å; L304-Y311 HydrophobicContact CD2-CD1 3.51Å; L304-Y311 HydrophobicContact CD2-CD2 4.28Å; L304-Y311 HydrophobicContact CD2-CE1 3.93Å; L304-Y311 HydrophobicContact CD2-CG 3.7Å; L304-Y311 HydrophobicContact CG-CD1 4.28Å; L304-Y311 HydrophobicContact CG-CG 4.32Å; Y309-Y311 PolarHBondContact O-N 3.43Å; Y311-D313 PolarHBondContact O-N 3.46Å
312L94.1Very high95.3Very high32 Ų3249.3 Ų49.317%0.16824%0.244CC..PPolyproline II helixtrans-51.9129.6175.2175.565.5000109.8V183 V185 E300 N314 M316V183-L312 HydrophobicContact CB-CD2 4.21Å; V183-L312 HydrophobicContact CG1-CD2 4Å; V185-L312 HydrophobicContact CG2-CB 4.15Å; V185-L312 HydrophobicContact CG2-CD2 4.26Å; E300-L312 HydrophobicContact CG-CB 3.98Å; E300-L312 PolarHBondContact OE2-N 3.31Å; L312-N314 PolarHBondContact O-N 3.28Å; L312-M316 HydrophobicContact CD1-CB 3.98Å; L312-M316 HydrophobicContact CD2-CB 3.69Å; L312-M316 HydrophobicContact CG-CB 4.49Å
313D92.8Very high95.2Very high99 Ų9951.5 Ų51.553%0.52927%0.269SS..  trans-71.678.7173-174.210.7000109.7Y311 Y315 F329 S330Y311-D313 PolarHBondContact O-N 3.46Å; D313-Y315 PolarHBondContact O-N 2.7Å; D313-F329 CarbonylContact O-C 3.58Å; D313-F329 VanDerWaalsContact O-C 3.27Å; D313-S330 WeakPolarHBondContact O-CA 3.38Å; D313-S330 VanDerWaalsContact OD1-CB 3.31Å; D313-S330 WeakPolarHBondContact OD1-CB 3.28Å; D313-S330 PolarHBondContact OD1-OG 3.4Å; D313-S330 WeakPolarHBondContact OD2-CB 3.19Å
314N92.3Very high95.1Very high1 Ų155.2 Ų55.21%0.00530%0.295CS..SBendtrans70.1-65175.4-150.2-15.3000116.6L184 V185 G192 L312 V331L184-N314 CarbonylContact C-O 3.54Å; L184-N314 VanDerWaalsContact CA-O 3.32Å; L184-N314 WeakPolarHBondContact CA-O 3.28Å; L184-N314 WeakPolarHBondContact CD1-OD1 3.36Å; V185-N314 PolarHBondContact N-O 3.15Å; V185-N314 PolarHBondContact O-OD1 3.29Å; V185-N314 VanDerWaalsContact O-OD1 3.11Å; G192-N314 PolarHBondContact N-ND2 3.46Å; G192-N314 PolarHBondContact O-ND2 3.03Å; G192-N314 PolarHBondContact O-OD1 3.26Å; L312-N314 PolarHBondContact O-N 3.28Å; N314-V331 VanDerWaalsContact ND2-CB 3.31Å; N314-V331 WeakPolarHBondContact ND2-CB 3.38Å; N314-V331 PolarHBondContact ND2-N 2.95Å; N314-V331 PolarHBondContact ND2-O 2.97Å
315Y96.8Very high95.2Very high28 Ų2860.4 Ų60.411%0.1132%0.315CS..EExtended strand (participates in β ladder)trans-130.8145.2-167.7-161.6-84.3000113.6H182 V183 L184 L200 D313 N317 G328 F329 V331H182-Y315 HydrophobicContact CB-CE1 3.95Å; H182-Y315 HydrophobicContact CB-CE2 4.24Å; H182-Y315 WeakPolarHBondContact CB-OH 3.5Å; H182-Y315 AromaticContact CD2-CE2 3.96Å; H182-Y315 AromaticContact CG-CZ 3.94Å; V183-Y315 CarbonylContact O-C 3.6Å; V183-Y315 WeakPolarHBondContact O-CA 3.42Å; L184-Y315 HydrophobicContact CB-CD2 4.09Å; L184-Y315 HydrophobicContact CB-CE2 4.41Å; L184-Y315 HydrophobicContact CD1-CD2 3.78Å; L184-Y315 HydrophobicContact CG-CD2 4.49Å; L200-Y315 HydrophobicContact CD1-CE2 4.38Å; D313-Y315 PolarHBondContact O-N 2.7Å; Y315-N317 HydrophobicContact CE1-CB 4.22Å; Y315-G328 CarbonylContact O-C 3.49Å; Y315-G328 WeakPolarHBondContact O-CA 3.38Å; Y315-F329 WeakPolarHBondContact CB-O 3.37Å; Y315-F329 HydrophobicContact CD1-CD1 4.1Å; Y315-F329 AromaticContact CD1-CE1 3.25Å; Y315-F329 HydrophobicContact CD1-CE1 3.25Å; Y315-F329 AromaticContact CD1-CZ 3.5Å; Y315-F329 HydrophobicContact CD1-CZ 3.5Å; Y315-F329 VanDerWaalsContact CD1-CZ 3.5Å; Y315-F329 AromaticContact CE1-CE1 3.87Å; Y315-F329 HydrophobicContact CE1-CE1 3.87Å; Y315-F329 HydrophobicContact CE1-CZ 4.05Å; Y315-F329 AromaticContact CG-CE1 3.93Å; Y315-F329 HydrophobicContact CG-CE1 3.93Å; Y315-F329 HydrophobicContact CG-CE2 4.46Å; Y315-F329 AromaticContact CG-CZ 3.8Å; Y315-F329 HydrophobicContact CG-CZ 3.8Å; Y315-F329 PolarHBondContact N-O 3.42Å; Y315-F329 VanDerWaalsContact N-O 3.14Å; Y315-F329 PolarHBondContact O-N 3.2Å; Y315-V331 HydrophobicContact CD2-CG2 4.23Å; Y315-V331 HydrophobicContact CG-CG2 4.27Å
316M96.9Very high95.2Very high35 Ų3563 Ų6317%0.17233%0.332CS..EExtended strand (participates in β ladder)trans-139.9130170-176.8-172.574.900109.9H182 V183 A296 L312 Y327H182-M316 CarbonylContact C-O 3.49Å; H182-M316 WeakPolarHBondContact CA-O 3.44Å; V183-M316 HydrophobicContact CB-CB 4.47Å; V183-M316 HydrophobicContact CB-CE 4.4Å; V183-M316 HydrophobicContact CG2-CE 3.85Å; V183-M316 PolarHBondContact N-O 2.86Å; V183-M316 PolarHBondContact O-N 3.31Å; A296-M316 HydrophobicContact CB-CE 3.69Å; L312-M316 HydrophobicContact CD1-CB 3.98Å; L312-M316 HydrophobicContact CD2-CB 3.69Å; L312-M316 HydrophobicContact CG-CB 4.49Å; M316-Y327 WeakPolarHBondContact CA-O 3.41Å
317N95.4Very high95.2Very high49 Ų4968.8 Ų68.826%0.26235%0.354SS..EExtended strand (participates in β ladder)trans-96.9161.6166.271-19.7000111.6G181 Y315 T326 Y327G181-N317 CarbonylContact O-C 3.58Å; Y315-N317 HydrophobicContact CE1-CB 4.22Å; N317-T326 VanDerWaalsContact O-CA 3.25Å; N317-T326 WeakPolarHBondContact O-CA 3.28Å; N317-T326 WeakPolarHBondContact O-CB 3.45Å; N317-Y327 PolarHBondContact N-O 3.32Å; N317-Y327 PolarHBondContact O-N 2.96Å; N317-Y327 VanDerWaalsContact OD1-CA 3.25Å; N317-Y327 WeakPolarHBondContact OD1-CA 3.42Å; N317-Y327 WeakPolarHBondContact OD1-CB 3.2Å; N317-Y327 PolarHBondContact OD1-N 3.21Å; N317-Y327 PolarHBondContact OD1-O 2.93Å
318F97.5Very high95.3Very high11 Ų1166.3 Ų66.35%0.04836%0.356CS..EExtended strand (participates in β ladder)trans-138.1141.3175169.3-98.6000109.9K180 G181 T289 V292 I293 D320 V324 Y325 T326K180-F318 VanDerWaalsContact CA-O 3.29Å; K180-F318 WeakPolarHBondContact CA-O 3.28Å; G181-F318 PolarHBondContact N-O 3.4Å; G181-F318 PolarHBondContact O-N 2.84Å; T289-F318 HydrophobicContact CG2-CD1 4.07Å; T289-F318 HydrophobicContact CG2-CE1 3.95Å; V292-F318 HydrophobicContact CB-CE2 4.42Å; V292-F318 HydrophobicContact CB-CZ 4.34Å; V292-F318 HydrophobicContact CG1-CD1 4.42Å; V292-F318 HydrophobicContact CG1-CD2 3.72Å; V292-F318 HydrophobicContact CG1-CE1 4.46Å; V292-F318 HydrophobicContact CG1-CE2 3.73Å; V292-F318 HydrophobicContact CG1-CG 4.06Å; V292-F318 HydrophobicContact CG1-CZ 4.11Å; V292-F318 HydrophobicContact CG2-CE2 4.28Å; V292-F318 HydrophobicContact CG2-CZ 4.08Å; I293-F318 HydrophobicContact CD1-CB 3.83Å; I293-F318 HydrophobicContact CD1-CG 4.38Å; F318-D320 HydrophobicContact CE1-CB 4.09Å; F318-D320 HydrophobicContact CE2-CB 4.4Å; F318-D320 HydrophobicContact CZ-CB 3.62Å; F318-V324 HydrophobicContact CE2-CG1 3.92Å; F318-Y325 WeakPolarHBondContact CA-O 3.2Å; F318-T326 HydrophobicContact CB-CG2 4.44Å; F318-T326 HydrophobicContact CD2-CG2 3.92Å
319S97.1Very high95.2Very high25 Ų2569.2 Ų69.218%0.17537%0.369CS..EExtended strand (participates in β ladder)trans-147.9129.7170.4175.40000110.4F179 Y325F179-S319 WeakPolarHBondContact O-CA 3.17Å; S319-Y325 PolarHBondContact N-O 3.46Å; S319-Y325 PolarHBondContact O-N 3.31Å
320D95.3Very high95.1Very high45 Ų4568.5 Ų68.524%0.24138%0.376CS..  trans-116.224.6171.866.6-27000113.6F179 F318 G323F179-D320 VanDerWaalsContact C-OD1 3.23Å; F179-D320 WeakPolarHBondContact CA-OD1 3.36Å; F179-D320 WeakPolarHBondContact CB-OD1 3.31Å; F179-D320 WeakPolarHBondContact CD1-OD1 3.36Å; F179-D320 PolarHBondContact O-N 3.19Å; F318-D320 HydrophobicContact CE1-CB 4.09Å; F318-D320 HydrophobicContact CE2-CB 4.4Å; F318-D320 HydrophobicContact CZ-CB 3.62Å; D320-G323 CarbonylContact C-O 3.57Å; D320-G323 VanDerWaalsContact CA-O 3.28Å; D320-G323 WeakPolarHBondContact CA-O 3.36Å
321I93.2Very high94.9Very high109 Ų10963.7 Ų63.756%0.55935%0.35SS*.SBendtrans-70.1-42.4175.5-63.7177.5000112F179 K180F179-I321 HydrophobicContact CB-CG1 3.65Å; K180-I321 HydrophobicContact CD-CD1 4.3Å; K180-I321 HydrophobicContact CG-CD1 4.1Å
322D93.1Very high94.7Very high149 Ų14968.5 Ų68.580%0.79738%0.375SS*.SBendtrans-134.9103.2178.7-1662.4000108.6
323G95Very high94.5Very high54 Ų5471.4 Ų71.456%0.55738%0.384SS*.SBendtrans63-148.9-166.200000112.6D320D320-G323 CarbonylContact C-O 3.57Å; D320-G323 VanDerWaalsContact CA-O 3.28Å; D320-G323 WeakPolarHBondContact CA-O 3.36Å
324V96Very high94.1Very high121 Ų12169.6 Ų69.673%0.73337%0.371SS*.  trans-125.5120.1172.3178.60000108F318F318-V324 HydrophobicContact CE2-CG1 3.92Å
325Y96.9Very high93.6Very high119 Ų11973.7 Ų73.747%0.46741%0.406SS..EExtended strand (participates in β ladder)trans-127.8138-176.2176.1-101.7000111.4F318 S319 Y327F318-Y325 WeakPolarHBondContact CA-O 3.2Å; S319-Y325 PolarHBondContact N-O 3.46Å; S319-Y325 PolarHBondContact O-N 3.31Å; Y325-Y327 VanDerWaalsContact OH-CB 3.31Å; Y325-Y327 WeakPolarHBondContact OH-CB 3.24Å
326T97.2Very high92.7Very high78 Ų7875.7 Ų75.748%0.47942%0.418SS..EExtended strand (participates in β ladder)trans-140145.1171.456.80000109.7N317 F318N317-T326 VanDerWaalsContact O-CA 3.25Å; N317-T326 WeakPolarHBondContact O-CA 3.28Å; N317-T326 WeakPolarHBondContact O-CB 3.45Å; F318-T326 HydrophobicContact CB-CG2 4.44Å; F318-T326 HydrophobicContact CD2-CG2 3.92Å
327Y95.6Very high92Very high126 Ų12674.1 Ų74.149%0.49441%0.41SS..EExtended strand (participates in β ladder)trans-142.9124.6175.1173.5-103.9000110.2M316 N317 Y325 F329M316-Y327 WeakPolarHBondContact CA-O 3.41Å; N317-Y327 PolarHBondContact N-O 3.32Å; N317-Y327 PolarHBondContact O-N 2.96Å; N317-Y327 VanDerWaalsContact OD1-CA 3.25Å; N317-Y327 WeakPolarHBondContact OD1-CA 3.42Å; N317-Y327 WeakPolarHBondContact OD1-CB 3.2Å; N317-Y327 PolarHBondContact OD1-N 3.21Å; N317-Y327 PolarHBondContact OD1-O 2.93Å; Y325-Y327 VanDerWaalsContact OH-CB 3.31Å; Y325-Y327 WeakPolarHBondContact OH-CB 3.24Å; Y327-F329 AromaticContact CD1-CD1 3.75Å; Y327-F329 HydrophobicContact CD1-CD1 3.75Å; Y327-F329 HydrophobicContact CD1-CE1 4.45Å; Y327-F329 HydrophobicContact CE1-CB 3.89Å; Y327-F329 AromaticContact CE1-CD1 3.61Å; Y327-F329 HydrophobicContact CE1-CD1 3.61Å; Y327-F329 HydrophobicContact CE1-CE1 4.49Å; Y327-F329 HydrophobicContact CE1-CG 4.04Å
328G95.1Very high91Very high45 Ų4572.3 Ų72.346%0.46440%0.401SS..EExtended strand (participates in β ladder)trans-103.2139.5177.900000111.3Y315Y315-G328 CarbonylContact O-C 3.49Å; Y315-G328 WeakPolarHBondContact O-CA 3.38Å
329F93.9Very high90.2Very high62 Ų6272 Ų7227%0.27240%0.4SS..EExtended strand (participates in β ladder)trans-155151.3176.666.8-85.4000111.7L200 D313 Y315 Y327 V331L200-F329 HydrophobicContact CD1-CZ 4.1Å; D313-F329 CarbonylContact O-C 3.58Å; D313-F329 VanDerWaalsContact O-C 3.27Å; Y315-F329 WeakPolarHBondContact CB-O 3.37Å; Y315-F329 HydrophobicContact CD1-CD1 4.1Å; Y315-F329 AromaticContact CD1-CE1 3.25Å; Y315-F329 HydrophobicContact CD1-CE1 3.25Å; Y315-F329 AromaticContact CD1-CZ 3.5Å; Y315-F329 HydrophobicContact CD1-CZ 3.5Å; Y315-F329 VanDerWaalsContact CD1-CZ 3.5Å; Y315-F329 AromaticContact CE1-CE1 3.87Å; Y315-F329 HydrophobicContact CE1-CE1 3.87Å; Y315-F329 HydrophobicContact CE1-CZ 4.05Å; Y315-F329 AromaticContact CG-CE1 3.93Å; Y315-F329 HydrophobicContact CG-CE1 3.93Å; Y315-F329 HydrophobicContact CG-CE2 4.46Å; Y315-F329 AromaticContact CG-CZ 3.8Å; Y315-F329 HydrophobicContact CG-CZ 3.8Å; Y315-F329 PolarHBondContact N-O 3.42Å; Y315-F329 VanDerWaalsContact N-O 3.14Å; Y315-F329 PolarHBondContact O-N 3.2Å; Y327-F329 AromaticContact CD1-CD1 3.75Å; Y327-F329 HydrophobicContact CD1-CD1 3.75Å; Y327-F329 HydrophobicContact CD1-CE1 4.45Å; Y327-F329 HydrophobicContact CE1-CB 3.89Å; Y327-F329 AromaticContact CE1-CD1 3.61Å; Y327-F329 HydrophobicContact CE1-CD1 3.61Å; Y327-F329 HydrophobicContact CE1-CE1 4.49Å; Y327-F329 HydrophobicContact CE1-CG 4.04Å; F329-V331 HydrophobicContact CD2-CG2 4.3Å; F329-V331 HydrophobicContact CE2-CG2 3.68Å; F329-V331 HydrophobicContact CZ-CG2 4.35Å
330S94Very high89.1Confident67 Ų6771 Ų7147%0.46939%0.393SS..PPolyproline II helixtrans-78.2122175.8-153.30000110.8D313D313-S330 WeakPolarHBondContact O-CA 3.38Å; D313-S330 VanDerWaalsContact OD1-CB 3.31Å; D313-S330 WeakPolarHBondContact OD1-CB 3.28Å; D313-S330 PolarHBondContact OD1-OG 3.4Å; D313-S330 WeakPolarHBondContact OD2-CB 3.19Å
331V91.3Very high87.9Confident15 Ų1569.6 Ų69.69%0.09139%0.386CS..PPolyproline II helixtrans-79.7121.6170.3178.20000108.6G192 C196 T197 N314 Y315 F329G192-V331 PolarHBondContact N-O 3.44Å; C196-V331 HydrophobicContact CB-CG1 4.11Å; T197-V331 HydrophobicContact CG2-CB 4.11Å; T197-V331 HydrophobicContact CG2-CG1 3.56Å; T197-V331 HydrophobicContact CG2-CG2 3.62Å; N314-V331 VanDerWaalsContact ND2-CB 3.31Å; N314-V331 WeakPolarHBondContact ND2-CB 3.38Å; N314-V331 PolarHBondContact ND2-N 2.95Å; N314-V331 PolarHBondContact ND2-O 2.97Å; Y315-V331 HydrophobicContact CD2-CG2 4.23Å; Y315-V331 HydrophobicContact CG-CG2 4.27Å; F329-V331 HydrophobicContact CD2-CG2 4.3Å; F329-V331 HydrophobicContact CE2-CG2 3.68Å; F329-V331 HydrophobicContact CZ-CG2 4.35Å
332E89.2Confident86.4Confident169 Ų16970.4 Ų70.479%0.7939%0.391SS*.PPolyproline II helixtrans-64.9135174.7-170.3178.7178.500111.1K334E332-K334 PolarHBondContact O-N 2.77Å; E332-K334 VanDerWaalsContact O-N 3.16Å
333R89.2Confident85.2Confident93 Ų9367.9 Ų67.935%0.35138%0.381SS..  trans-73.4106.7172.8179.2175.3139-144-9.1109.3G189 A335 N341G189-R333 PolarHBondContact O-NH1 3.08Å; R333-A335 PolarHBondContact O-N 3.46Å; R333-N341 VanDerWaalsContact CZ-OD1 3.25Å; R333-N341 PolarHBondContact NE-OD1 2.58Å; R333-N341 PolarHBondContact NH2-OD1 3.44Å
334K85.9Confident84Confident60 Ų6067.7 Ų67.726%0.26137%0.37SS..  trans-53.7121.4173.9-65.2-174.5176.2178.20110.1C196 D199 E332 D336 C337 N341C196-K334 HydrophobicContact CB-CG 4.21Å; C196-K334 VanDerWaalsContact O-CE 3.26Å; C196-K334 WeakPolarHBondContact O-CE 3.18Å; D199-K334 IonicContact OD2-NZ 2.61Å; D199-K334 PolarHBondContact OD2-NZ 2.79Å; E332-K334 PolarHBondContact O-N 2.77Å; E332-K334 VanDerWaalsContact O-N 3.16Å; K334-D336 WeakPolarHBondContact CB-OD1 3.34Å; K334-D336 PolarHBondContact O-N 3.46Å; K334-C337 HydrophobicContact CB-CB 4.14Å; K334-C337 VanDerWaalsContact O-CB 3.23Å; K334-C337 WeakPolarHBondContact O-CB 3.47Å; K334-C337 PolarHBondContact O-N 2.71Å; K334-N341 PolarHBondContact O-ND2 2.83Å
335A80.6Confident83.2Confident88 Ų8862.7 Ų62.773%0.72734%0.338SS*.THydrogen-bonded Turntrans-56.9-22.6-175.300000113.9R333 N341R333-A335 PolarHBondContact O-N 3.46Å; A335-N341 PolarHBondContact O-ND2 3.28Å
336D77.7Confident82.8Confident69 Ų6960.5 Ų60.537%0.36934%0.337SS..THydrogen-bonded Turntrans-106.6-3.1-174.656.21.5000111.3K334 L338 R345K334-D336 WeakPolarHBondContact CB-OD1 3.34Å; K334-D336 PolarHBondContact O-N 3.46Å; D336-L338 PolarHBondContact O-N 3.2Å; D336-R345 VanDerWaalsContact CB-CZ 3.46Å; D336-R345 WeakPolarHBondContact O-CD 3.38Å; D336-R345 PolarHBondContact O-NH1 3.4Å; D336-R345 IonicContact OD1-CZ 3.64Å; D336-R345 IonicContact OD1-NH1 3.93Å; D336-R345 PolarHBondContact OD1-NH1 3Å; D336-R345 IonicContact OD1-NH2 3.95Å; D336-R345 PolarHBondContact OD1-NH2 2.85Å; D336-R345 IonicContact OD2-CZ 3.84Å; D336-R345 IonicContact OD2-NE 3.32Å; D336-R345 IonicContact OD2-NH1 3.04Å; D336-R345 PolarHBondContact OD2-NH1 2.72Å; D336-R345 IonicContact OD2-NH2 3.02Å; D336-R345 PolarHBondContact OD2-NH2 3.47Å
337C82.2Confident82.5Confident2 Ų257.3 Ų57.31%0.01432%0.317CS..  trans-43.4124.5-171.71790000115.3C196 K334 A339 C340 N341C196-C337 VanDerWaalsContact SG-SG 3.61Å; K334-C337 HydrophobicContact CB-CB 4.14Å; K334-C337 VanDerWaalsContact O-CB 3.23Å; K334-C337 WeakPolarHBondContact O-CB 3.47Å; K334-C337 PolarHBondContact O-N 2.71Å; C337-A339 PolarHBondContact O-N 2.81Å; C337-A339 VanDerWaalsContact O-N 3.14Å; C337-C340 WeakPolarHBondContact CB-SG 3.49Å; C337-C340 PolarHBondContact SG-SG 2.88Å; C337-N341 HydrophobicContact CB-CB 4.48Å; C337-N341 CarbonylContact O-C 3.6Å; C337-N341 WeakPolarHBondContact O-CA 3.5Å; C337-N341 WeakPolarHBondContact O-CB 3.48Å; C337-N341 PolarHBondContact O-N 3.42Å
338L75.4Confident82.3Confident11 Ų1159.6 Ų59.66%0.05833%0.325CS..THydrogen-bonded Turntrans-59.4-27.1-178.3-69.6168.4000115.1E195 D336 R345 F368 L427E195-L338 HydrophobicContact CG-CB 4.32Å; D336-L338 PolarHBondContact O-N 3.2Å; L338-R345 HydrophobicContact CD2-CB 4.1Å; L338-R345 HydrophobicContact CD2-CG 3.39Å; L338-R345 HydrophobicContact CG-CG 4.08Å; L338-F368 HydrophobicContact CD1-CD1 3.62Å; L338-F368 HydrophobicContact CD1-CE1 3.93Å; L338-F368 HydrophobicContact CD2-CE1 4.28Å; L338-L427 HydrophobicContact CB-CD1 4.3Å; L338-L427 HydrophobicContact CB-CD2 4.05Å; L338-L427 HydrophobicContact CD1-CD1 4.16Å; L338-L427 HydrophobicContact CD2-CD1 4.11Å; L338-L427 HydrophobicContact CD2-CD2 4.24Å; L338-L427 HydrophobicContact CG-CD1 4.44Å; L338-L427 WeakPolarHBondContact O-CD2 3.4Å
339A80.1Confident82.2Confident4 Ų458.1 Ų58.13%0.03331%0.306CS..THydrogen-bonded Turntrans-92.8-55.7-176.500000112.2N148 A152 E195 C337 R425N148-A339 WeakPolarHBondContact ND2-CB 3.17Å; A152-A339 HydrophobicContact CB-CB 4.43Å; A152-A339 WeakPolarHBondContact CB-O 3.48Å; E195-A339 HydrophobicContact CB-CB 3.88Å; E195-A339 HydrophobicContact CG-CB 4.32Å; C337-A339 PolarHBondContact O-N 2.81Å; C337-A339 VanDerWaalsContact O-N 3.14Å; A339-R425 PolarHBondContact O-NH1 3.41Å; A339-R425 VanDerWaalsContact O-NH1 3.12Å
340C74.6Confident82.1Confident5 Ų561.1 Ų61.13%0.03432%0.321CS..THydrogen-bonded Turntrans-90.9-20-172.368.10000114.1Y157 C337Y157-C340 PolarHBondContact OH-O 2.97Å; C337-C340 WeakPolarHBondContact CB-SG 3.49Å; C337-C340 PolarHBondContact SG-SG 2.88Å
341N69.4Low81.6Confident15 Ų1559.4 Ų59.48%0.0831%0.308CS..  trans-109.8112.3175.2-71.2-31.1000109.5R333 K334 A335 C337 V343R333-N341 VanDerWaalsContact CZ-OD1 3.25Å; R333-N341 PolarHBondContact NE-OD1 2.58Å; R333-N341 PolarHBondContact NH2-OD1 3.44Å; K334-N341 PolarHBondContact O-ND2 2.83Å; A335-N341 PolarHBondContact O-ND2 3.28Å; C337-N341 HydrophobicContact CB-CB 4.48Å; C337-N341 CarbonylContact O-C 3.6Å; C337-N341 WeakPolarHBondContact O-CA 3.5Å; C337-N341 WeakPolarHBondContact O-CB 3.48Å; C337-N341 PolarHBondContact O-N 3.42Å; N341-V343 PolarHBondContact O-N 3.03Å
342N61.7Low81.5Confident126 Ų12661.4 Ų61.467%0.67433%0.331SS*.  trans-78.332.7-176-151.518.7000113.2R425N342-R425 VanDerWaalsContact CG-NH2 3.3Å; N342-R425 PolarHBondContact OD1-NH2 2.93Å
343V67.7Low81.7Confident96 Ų9654 Ų5458%0.58230%0.298SS*.SBendtrans-98.8131.8-175.8-176.30000108.3N341 R345N341-V343 PolarHBondContact O-N 3.03Å; V343-R345 PolarHBondContact O-N 2.7Å
344P70.8Confident82Confident51 Ų5151 Ų5133%0.33129%0.29SS..PPolyproline II helixtrans-56.1125.3175.8-24.833.3000111.7S428 K430P344-S428 WeakPolarHBondContact CA-O 3.44Å; P344-K430 HydrophobicContact CB-CB 4.44Å
345R79.3Confident82.5Confident16 Ų1648.1 Ų48.16%0.0628%0.277CS..EExtended strand (participates in β ladder)trans-72135.9177.3-83.2-67.9-103.2-121.530.8110.5D336 L338 V343 E367 S428 I429 K430D336-R345 VanDerWaalsContact CB-CZ 3.46Å; D336-R345 WeakPolarHBondContact O-CD 3.38Å; D336-R345 PolarHBondContact O-NH1 3.4Å; D336-R345 IonicContact OD1-CZ 3.64Å; D336-R345 IonicContact OD1-NH1 3.93Å; D336-R345 PolarHBondContact OD1-NH1 3Å; D336-R345 IonicContact OD1-NH2 3.95Å; D336-R345 PolarHBondContact OD1-NH2 2.85Å; D336-R345 IonicContact OD2-CZ 3.84Å; D336-R345 IonicContact OD2-NE 3.32Å; D336-R345 IonicContact OD2-NH1 3.04Å; D336-R345 PolarHBondContact OD2-NH1 2.72Å; D336-R345 IonicContact OD2-NH2 3.02Å; D336-R345 PolarHBondContact OD2-NH2 3.47Å; L338-R345 HydrophobicContact CD2-CB 4.1Å; L338-R345 HydrophobicContact CD2-CG 3.39Å; L338-R345 HydrophobicContact CG-CG 4.08Å; V343-R345 PolarHBondContact O-N 2.7Å; R345-E367 IonicContact CZ-OE1 3.61Å; R345-E367 IonicContact CZ-OE2 2.79Å; R345-E367 VanDerWaalsContact NE-CD 3.34Å; R345-E367 IonicContact NE-OE1 2.73Å; R345-E367 PolarHBondContact NE-OE1 3.19Å; R345-E367 IonicContact NE-OE2 2.73Å; R345-E367 IonicContact NH2-OE1 3.76Å; R345-E367 PolarHBondContact NH2-OE1 3.34Å; R345-E367 IonicContact NH2-OE2 2.68Å; R345-E367 PolarHBondContact NH2-OE2 2.8Å; R345-S428 PolarHBondContact N-O 3.22Å; R345-I429 CarbonylContact O-C 3.55Å; R345-I429 WeakPolarHBondContact O-CA 3.36Å; R345-I429 WeakPolarHBondContact O-CG2 3.47Å; R345-K430 PolarHBondContact O-N 3.25Å
346T87.6Confident83.3Confident73 Ų7350 Ų5045%0.44827%0.266SS..EExtended strand (participates in β ladder)trans-87.4115.2174.1-59.30000109.6K430 Q432T346-K430 CarbonylContact C-O 3.58Å; T346-K430 VanDerWaalsContact CA-O 3.26Å; T346-K430 WeakPolarHBondContact CA-O 3.43Å; T346-Q432 HydrophobicContact CG2-CB 3.66Å
347L91.1Very high84.1Confident10 Ų1049.9 Ų49.95%0.05227%0.265CS..EExtended strand (participates in β ladder)trans-103115.7176.6178.757.1000109.9L349 L358 V361 L362 F368 I429 K430 L431 Q432L347-L349 HydrophobicContact CD2-CD1 4.06Å; L347-L349 HydrophobicContact CD2-CD2 4.46Å; L347-L349 HydrophobicContact CD2-CG 4.36Å; L347-L349 HydrophobicContact CG-CD1 4.2Å; L347-L349 HydrophobicContact CG-CD2 4.27Å; L347-L349 HydrophobicContact CG-CG 4.03Å; L347-L358 HydrophobicContact CD2-CD1 3.44Å; L347-L358 VanDerWaalsContact CD2-CD1 3.44Å; L347-V361 HydrophobicContact CD1-CG1 3.92Å; L347-V361 HydrophobicContact CD2-CG1 4.39Å; L347-L362 HydrophobicContact CD2-CD2 4.32Å; L347-F368 HydrophobicContact CD1-CE2 3.87Å; L347-F368 HydrophobicContact CD1-CZ 4.34Å; L347-I429 HydrophobicContact CB-CG2 3.48Å; L347-I429 VanDerWaalsContact CB-CG2 3.48Å; L347-I429 HydrophobicContact CD2-CG2 4.27Å; L347-K430 PolarHBondContact N-O 3.33Å; L347-L431 HydrophobicContact CD2-CD2 4.48Å; L347-Q432 PolarHBondContact O-N 3.19Å
348R92.6Very high84.7Confident174 Ų17449.8 Ų49.866%0.65727%0.265SS*.EExtended strand (participates in β ladder)trans-84.6125177.3-67.1-175.7-176.9167.25.5110.8Q432R348-Q432 CarbonylContact C-O 3.51Å; R348-Q432 WeakPolarHBondContact CA-O 3.47Å; R348-Q432 HydrophobicContact CG-CB 3.99Å; R348-Q432 HydrophobicContact CG-CG 4.11Å
349L92.3Very high85.6Confident15 Ų1549.8 Ų49.88%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-136.9154.9178.1-62.5169.9000109.6L347 C353 L358 V361 L405 L431 Q432 L433 D434L347-L349 HydrophobicContact CD2-CD1 4.06Å; L347-L349 HydrophobicContact CD2-CD2 4.46Å; L347-L349 HydrophobicContact CD2-CG 4.36Å; L347-L349 HydrophobicContact CG-CD1 4.2Å; L347-L349 HydrophobicContact CG-CD2 4.27Å; L347-L349 HydrophobicContact CG-CG 4.03Å; L349-C353 HydrophobicContact CB-CB 4.26Å; L349-L358 HydrophobicContact CD1-CB 4.21Å; L349-L358 HydrophobicContact CD1-CD1 3.78Å; L349-L358 HydrophobicContact CD1-CG 4.46Å; L349-V361 HydrophobicContact CD2-CB 4.49Å; L349-V361 HydrophobicContact CD2-CG1 4.45Å; L349-V361 HydrophobicContact CD2-CG2 4.03Å; L349-L405 HydrophobicContact CD1-CD1 3.71Å; L349-L431 HydrophobicContact CD1-CD2 4.07Å; L349-Q432 PolarHBondContact N-O 3.36Å; L349-L433 HydrophobicContact CB-CD2 4.15Å; L349-L433 WeakPolarHBondContact O-CA 3.45Å; L349-D434 PolarHBondContact O-N 3.08Å
350Q90.9Very high86.3Confident124 Ų12453.1 Ų53.158%0.57928%0.282SS*.EExtended strand (participates in β ladder)trans-71.8143.9171.4-66-171.4-43.700110.4G352 C353 D434 K436Q350-G352 PolarHBondContact O-N 3.48Å; Q350-G352 VanDerWaalsContact O-N 3.1Å; Q350-C353 WeakPolarHBondContact O-CB 3.48Å; Q350-C353 PolarHBondContact O-N 2.86Å; Q350-D434 WeakPolarHBondContact CA-O 3.25Å; Q350-K436 PolarHBondContact NE2-O 2.82Å
351T84.5Confident87.2Confident31 Ų3154.7 Ų54.719%0.1929%0.291CS..THydrogen-bonded Turntrans-55.9-31.7-178.1-51.80000113.4C353 D434 D435T351-C353 VanDerWaalsContact C-N 3.29Å; T351-C353 PolarHBondContact O-N 3.45Å; T351-D434 PolarHBondContact N-O 3.41Å; T351-D434 VanDerWaalsContact N-O 3.16Å; T351-D434 PolarHBondContact OG1-O 2.98Å; T351-D435 VanDerWaalsContact CB-OD1 3.29Å; T351-D435 WeakPolarHBondContact CB-OD1 3.42Å; T351-D435 PolarHBondContact OG1-OD1 2.88Å
352G89.4Confident88.3Confident57 Ų5754 Ų5459%0.58829%0.287SS*.THydrogen-bonded Turntrans-80.91.5177.300000115.7Q350Q350-G352 PolarHBondContact O-N 3.48Å; Q350-G352 VanDerWaalsContact O-N 3.1Å
353C92.7Very high89.8Confident15 Ų1552.3 Ų52.310%0.10127%0.274CS..  trans-59.5137.4-179.2-174.80000110.9L349 Q350 T351 D357 T404 L405L349-C353 HydrophobicContact CB-CB 4.26Å; Q350-C353 WeakPolarHBondContact O-CB 3.48Å; Q350-C353 PolarHBondContact O-N 2.86Å; T351-C353 VanDerWaalsContact C-N 3.29Å; T351-C353 PolarHBondContact O-N 3.45Å; C353-D357 WeakPolarHBondContact SG-CB 3.4Å; C353-T404 WeakPolarHBondContact O-CA 3.46Å; C353-L405 HydrophobicContact CB-CD1 4.22Å; C353-L405 WeakPolarHBondContact O-CG 3.48Å; C353-L405 PolarHBondContact O-N 2.87Å
354T96.7Very high90.8Very high28 Ų2852.9 Ų52.917%0.17228%0.278CS..BIsolated β-bridgetrans-86.4163.5173.1660000111.8R356 D357 L358 K403T354-R356 PolarHBondContact O-N 2.97Å; T354-D357 WeakPolarHBondContact CB-OD2 3.43Å; T354-D357 PolarHBondContact N-OD2 3.16Å; T354-D357 WeakPolarHBondContact O-CB 3.39Å; T354-D357 PolarHBondContact O-N 3.48Å; T354-D357 PolarHBondContact OG1-N 3.3Å; T354-D357 PolarHBondContact OG1-OD2 2.98Å; T354-L358 PolarHBondContact O-N 2.86Å; T354-K403 WeakPolarHBondContact CA-O 3.38Å; T354-K403 WeakPolarHBondContact CB-O 3.46Å
355L96.2Very high91.6Very high0 Ų052.9 Ų52.90%028%0.275CS..Hα-helixtrans-58.8-32.5171.2-178.761.6000111.9L358 I359 I375 L386 N400 L401 K403 L405 L408L355-L358 HydrophobicContact CD1-CD2 4.06Å; L355-L358 PolarHBondContact O-N 3.31Å; L355-I359 HydrophobicContact CG-CD1 4.22Å; L355-I359 WeakPolarHBondContact O-CG1 3.34Å; L355-I359 PolarHBondContact O-N 3.02Å; L355-I375 HydrophobicContact CD1-CD1 4Å; L355-L386 HydrophobicContact CD1-CB 4.18Å; L355-L386 HydrophobicContact CD1-CD1 4.4Å; L355-L386 HydrophobicContact CD2-CB 3.92Å; L355-L386 WeakPolarHBondContact CD2-O 3.46Å; L355-N400 WeakPolarHBondContact CB-O 3.45Å; L355-N400 HydrophobicContact CD2-CB 3.85Å; L355-L401 HydrophobicContact CD2-CD2 4.33Å; L355-L401 HydrophobicContact CG-CD2 4.28Å; L355-K403 PolarHBondContact N-O 3.17Å; L355-L405 HydrophobicContact CD1-CD2 4.5Å; L355-L408 HydrophobicContact CB-CD1 3.72Å; L355-L408 HydrophobicContact CD1-CD1 4.47Å; L355-L408 HydrophobicContact CD2-CD1 3.84Å; L355-L408 HydrophobicContact CG-CD1 4.22Å
356R95.7Very high91.7Very high128 Ų12855.4 Ų55.448%0.48329%0.293SS..Hα-helixtrans-63.3-43172.6179.3176.1-63.4162.84.7111.9T354 I359 N360 L401T354-R356 PolarHBondContact O-N 2.97Å; R356-I359 PolarHBondContact O-N 3.28Å; R356-N360 WeakPolarHBondContact O-CB 3.39Å; R356-N360 PolarHBondContact O-N 3.13Å; R356-N360 PolarHBondContact O-ND2 3.37Å; R356-L401 HydrophobicContact CB-CB 4.33Å; R356-L401 WeakPolarHBondContact CB-O 3.35Å; R356-L401 PolarHBondContact N-O 3.48Å
357D95.3Very high91.3Very high67 Ų6754.6 Ų54.636%0.35829%0.285SS..Hα-helixtrans-64.9-42.6178.6-60.4-38.8000110.8C353 T354 I359 N360 V361C353-D357 WeakPolarHBondContact SG-CB 3.4Å; T354-D357 WeakPolarHBondContact CB-OD2 3.43Å; T354-D357 PolarHBondContact N-OD2 3.16Å; T354-D357 WeakPolarHBondContact O-CB 3.39Å; T354-D357 PolarHBondContact O-N 3.48Å; T354-D357 PolarHBondContact OG1-N 3.3Å; T354-D357 PolarHBondContact OG1-OD2 2.98Å; D357-I359 PolarHBondContact O-N 2.93Å; D357-N360 WeakPolarHBondContact O-CB 3.27Å; D357-N360 PolarHBondContact O-N 2.88Å; D357-V361 WeakPolarHBondContact O-CG2 3.37Å; D357-V361 PolarHBondContact O-N 3.39Å
358L95.2Very high91.1Very high0 Ų054.1 Ų54.10%028%0.282CS..Hα-helixtrans-57.3-47.9171.4166.360.7000111.8L347 L349 T354 L355 N360 V361 L362 I375 L405 I416 L431L347-L358 HydrophobicContact CD2-CD1 3.44Å; L347-L358 VanDerWaalsContact CD2-CD1 3.44Å; L349-L358 HydrophobicContact CD1-CB 4.21Å; L349-L358 HydrophobicContact CD1-CD1 3.78Å; L349-L358 HydrophobicContact CD1-CG 4.46Å; T354-L358 PolarHBondContact O-N 2.86Å; L355-L358 HydrophobicContact CD1-CD2 4.06Å; L355-L358 PolarHBondContact O-N 3.31Å; L358-N360 VanDerWaalsContact C-N 3.29Å; L358-N360 PolarHBondContact O-N 2.9Å; L358-V361 PolarHBondContact O-N 3.12Å; L358-L362 HydrophobicContact CD1-CD1 4.05Å; L358-L362 HydrophobicContact CD1-CG 4.08Å; L358-L362 HydrophobicContact CG-CD1 4.29Å; L358-L362 WeakPolarHBondContact O-CG 3.27Å; L358-L362 PolarHBondContact O-N 3.11Å; L358-I375 HydrophobicContact CD2-CD1 3.93Å; L358-I375 HydrophobicContact CG-CD1 4.01Å; L358-L405 HydrophobicContact CB-CD2 4.17Å; L358-L405 HydrophobicContact CD2-CD2 3.87Å; L358-I416 HydrophobicContact CD1-CD1 4.1Å; L358-I416 HydrophobicContact CD2-CD1 3.82Å; L358-L431 HydrophobicContact CD1-CD2 4.43Å
359I94.8Very high90.7Very high11 Ų1148.7 Ų48.76%0.05626%0.264CS..Hα-helixtrans-61.4-40.1176.6-74.7166.5000111.2L355 R356 D357 L362 K363 P373 I375 Y387 L401L355-I359 HydrophobicContact CG-CD1 4.22Å; L355-I359 WeakPolarHBondContact O-CG1 3.34Å; L355-I359 PolarHBondContact O-N 3.02Å; R356-I359 PolarHBondContact O-N 3.28Å; D357-I359 PolarHBondContact O-N 2.93Å; I359-L362 PolarHBondContact O-N 3.41Å; I359-K363 HydrophobicContact CG2-CD 4.12Å; I359-K363 VanDerWaalsContact O-CG 3.29Å; I359-K363 WeakPolarHBondContact O-CG 3.47Å; I359-K363 PolarHBondContact O-N 3.18Å; I359-P373 HydrophobicContact CG2-CG 4.05Å; I359-I375 HydrophobicContact CD1-CD1 4.29Å; I359-I375 HydrophobicContact CG1-CD1 3.55Å; I359-I375 HydrophobicContact CG1-CG1 4.48Å; I359-Y387 HydrophobicContact CD1-CD1 3.56Å; I359-Y387 HydrophobicContact CD1-CE1 4.17Å; I359-Y387 HydrophobicContact CD1-CG 3.77Å; I359-L401 HydrophobicContact CD1-CD2 3.41Å; I359-L401 VanDerWaalsContact CD1-CD2 3.41Å
360N93.9Very high90.5Very high73 Ų7348.2 Ų48.239%0.3926%0.262SS..Hα-helixtrans-62-46.6176.6-72.1-23.1000110.5R356 D357 L358 L362 K363 T364R356-N360 WeakPolarHBondContact O-CB 3.39Å; R356-N360 PolarHBondContact O-N 3.13Å; R356-N360 PolarHBondContact O-ND2 3.37Å; D357-N360 WeakPolarHBondContact O-CB 3.27Å; D357-N360 PolarHBondContact O-N 2.88Å; L358-N360 VanDerWaalsContact C-N 3.29Å; L358-N360 PolarHBondContact O-N 2.9Å; N360-L362 PolarHBondContact O-N 3.14Å; N360-K363 PolarHBondContact O-N 3.37Å; N360-T364 WeakPolarHBondContact O-CG2 3.43Å; N360-T364 PolarHBondContact O-N 3.01Å; N360-T364 PolarHBondContact O-OG1 3.23Å
361V93.8Very high90.4Very high39 Ų3947.5 Ų47.524%0.23626%0.258CS..Hα-helixtrans-57.1-49.3175.5172.60000110.9L347 L349 D357 L358 K363 T364 D365L347-V361 HydrophobicContact CD1-CG1 3.92Å; L347-V361 HydrophobicContact CD2-CG1 4.39Å; L349-V361 HydrophobicContact CD2-CB 4.49Å; L349-V361 HydrophobicContact CD2-CG1 4.45Å; L349-V361 HydrophobicContact CD2-CG2 4.03Å; D357-V361 WeakPolarHBondContact O-CG2 3.37Å; D357-V361 PolarHBondContact O-N 3.39Å; L358-V361 PolarHBondContact O-N 3.12Å; V361-K363 PolarHBondContact O-N 3.43Å; V361-K363 VanDerWaalsContact O-N 3.14Å; V361-T364 PolarHBondContact O-N 3.27Å; V361-D365 HydrophobicContact CG1-CB 4.22Å; V361-D365 WeakPolarHBondContact O-CB 3.32Å; V361-D365 PolarHBondContact O-N 3.38Å
362L92.9Very high90.6Very high0 Ų048.3 Ų48.30%027%0.265CS..Hα-helixtrans-59.2-28.6177.5-67.3172.2000113.4L347 L358 I359 N360 F368 Q369 M370 P373 I375 V418 I429L347-L362 HydrophobicContact CD2-CD2 4.32Å; L358-L362 HydrophobicContact CD1-CD1 4.05Å; L358-L362 HydrophobicContact CD1-CG 4.08Å; L358-L362 HydrophobicContact CG-CD1 4.29Å; L358-L362 WeakPolarHBondContact O-CG 3.27Å; L358-L362 PolarHBondContact O-N 3.11Å; I359-L362 PolarHBondContact O-N 3.41Å; N360-L362 PolarHBondContact O-N 3.14Å; L362-F368 HydrophobicContact CD2-CB 4.46Å; L362-F368 HydrophobicContact CD2-CD1 4.11Å; L362-F368 HydrophobicContact CD2-CD2 4.08Å; L362-F368 HydrophobicContact CD2-CE1 4.42Å; L362-F368 HydrophobicContact CD2-CE2 4.42Å; L362-F368 HydrophobicContact CD2-CG 3.95Å; L362-F368 WeakPolarHBondContact O-CB 3.41Å; L362-Q369 PolarHBondContact O-N 2.88Å; L362-M370 HydrophobicContact CB-SD 4.2Å; L362-M370 HydrophobicContact CD2-CE 4.43Å; L362-M370 HydrophobicContact CD2-SD 4.38Å; L362-M370 WeakPolarHBondContact O-CB 3.38Å; L362-M370 PolarHBondContact O-N 2.88Å; L362-P373 HydrophobicContact CB-CG 4.34Å; L362-P373 HydrophobicContact CD1-CB 4.25Å; L362-I375 HydrophobicContact CD1-CD1 3.7Å; L362-I375 HydrophobicContact CD1-CG1 4.28Å; L362-V418 HydrophobicContact CD1-CG1 4.14Å; L362-V418 HydrophobicContact CD1-CG2 4.17Å; L362-I429 HydrophobicContact CD2-CD1 3.56Å
363K91.9Very high90.8Very high91 Ų9145.6 Ų45.640%0.39624%0.237SC..Hα-helixtrans-83.9-37.4177.6-72-179171.4-1690113.4I359 N360 V361 M370 Q371 P373I359-K363 HydrophobicContact CG2-CD 4.12Å; I359-K363 VanDerWaalsContact O-CG 3.29Å; I359-K363 WeakPolarHBondContact O-CG 3.47Å; I359-K363 PolarHBondContact O-N 3.18Å; N360-K363 PolarHBondContact O-N 3.37Å; V361-K363 PolarHBondContact O-N 3.43Å; V361-K363 VanDerWaalsContact O-N 3.14Å; K363-M370 WeakPolarHBondContact CA-O 3.14Å; K363-M370 WeakPolarHBondContact CG-O 3.35Å; K363-Q371 WeakPolarHBondContact CE-O 3.48Å; K363-P373 HydrophobicContact CG-CG 4.2Å
364T88.8Confident90.8Very high107 Ų10746 Ų4666%0.65624%0.24SC*.Hα-helixtrans-102.8-26.1-168.459.40000114.3N360 V361N360-T364 WeakPolarHBondContact O-CG2 3.43Å; N360-T364 PolarHBondContact O-N 3.01Å; N360-T364 PolarHBondContact O-OG1 3.23Å; V361-T364 PolarHBondContact O-N 3.27Å
365D87.4Confident90.8Very high52 Ų5244.7 Ų44.728%0.27823%0.232SC..SBendtrans-64.6129179-168.3-52.1000109.6V361 E367 F368 Q369V361-D365 HydrophobicContact CG1-CB 4.22Å; V361-D365 WeakPolarHBondContact O-CB 3.32Å; V361-D365 PolarHBondContact O-N 3.38Å; D365-E367 PolarHBondContact O-N 3.25Å; D365-E367 VanDerWaalsContact O-N 3.09Å; D365-E367 WeakPolarHBondContact OD1-CB 3.43Å; D365-E367 PolarHBondContact OD1-N 3.43Å; D365-F368 HydrophobicContact CB-CD2 3.9Å; D365-F368 PolarHBondContact O-N 3.38Å; D365-Q369 WeakPolarHBondContact O-CG 3.39Å; D365-Q369 PolarHBondContact O-N 3.08Å
366P82.5Confident90.7Very high68 Ų6845.5 Ų45.544%0.44224%0.237SC..THydrogen-bonded Turntrans-52.5-28.6178.4-27.235.2000114.4
367E79.8Confident90.6Very high56 Ų5639.4 Ų39.426%0.26221%0.214SC..THydrogen-bonded Turntrans-70.1-34.4180-171.3-176.9126.800113.1R345 D365R345-E367 IonicContact CZ-OE1 3.61Å; R345-E367 IonicContact CZ-OE2 2.79Å; R345-E367 VanDerWaalsContact NE-CD 3.34Å; R345-E367 IonicContact NE-OE1 2.73Å; R345-E367 PolarHBondContact NE-OE1 3.19Å; R345-E367 IonicContact NE-OE2 2.73Å; R345-E367 IonicContact NH2-OE1 3.76Å; R345-E367 PolarHBondContact NH2-OE1 3.34Å; R345-E367 IonicContact NH2-OE2 2.68Å; R345-E367 PolarHBondContact NH2-OE2 2.8Å; D365-E367 PolarHBondContact O-N 3.25Å; D365-E367 VanDerWaalsContact O-N 3.09Å; D365-E367 WeakPolarHBondContact OD1-CB 3.43Å; D365-E367 PolarHBondContact OD1-N 3.43Å
368F85.8Confident90.4Very high1 Ų140 Ų400%0.00422%0.217CC..THydrogen-bonded Turntrans-106.7-49.8-173.2-59.9-68.6000112.8R145 L338 L347 L362 D365 M370 I429R145-F368 PolarHBondContact NH1-O 3.32Å; R145-F368 PolarHBondContact NH2-O 3.46Å; L338-F368 HydrophobicContact CD1-CD1 3.62Å; L338-F368 HydrophobicContact CD1-CE1 3.93Å; L338-F368 HydrophobicContact CD2-CE1 4.28Å; L347-F368 HydrophobicContact CD1-CE2 3.87Å; L347-F368 HydrophobicContact CD1-CZ 4.34Å; L362-F368 HydrophobicContact CD2-CB 4.46Å; L362-F368 HydrophobicContact CD2-CD1 4.11Å; L362-F368 HydrophobicContact CD2-CD2 4.08Å; L362-F368 HydrophobicContact CD2-CE1 4.42Å; L362-F368 HydrophobicContact CD2-CE2 4.42Å; L362-F368 HydrophobicContact CD2-CG 3.95Å; L362-F368 WeakPolarHBondContact O-CB 3.41Å; D365-F368 HydrophobicContact CB-CD2 3.9Å; D365-F368 PolarHBondContact O-N 3.38Å; F368-M370 HydrophobicContact CB-CE 4.46Å; F368-M370 HydrophobicContact CB-CG 4.29Å; F368-M370 HydrophobicContact CD1-CE 4.16Å; F368-M370 PolarHBondContact O-N 2.97Å; F368-I429 HydrophobicContact CD1-CD1 4.3Å; F368-I429 HydrophobicContact CE1-CD1 3.82Å; F368-I429 HydrophobicContact CZ-CD1 4.38Å
369Q83.6Confident90Very high60 Ų6040.9 Ų40.928%0.2822%0.221SC..  trans40.141-179.2-60.9-176.2-17.900114.7R145 L362 D365R145-Q369 PolarHBondContact NH1-O 3.04Å; L362-Q369 PolarHBondContact O-N 2.88Å; D365-Q369 WeakPolarHBondContact O-CG 3.39Å; D365-Q369 PolarHBondContact O-N 3.08Å
370M89.9Confident89.6Confident4 Ų446.8 Ų46.82%0.0225%0.253CS..  trans-71.4149.7-177.6-66.7-175.2-176.400110.7L362 K363 F368 P373 V418 D420 L427L362-M370 HydrophobicContact CB-SD 4.2Å; L362-M370 HydrophobicContact CD2-CE 4.43Å; L362-M370 HydrophobicContact CD2-SD 4.38Å; L362-M370 WeakPolarHBondContact O-CB 3.38Å; L362-M370 PolarHBondContact O-N 2.88Å; K363-M370 WeakPolarHBondContact CA-O 3.14Å; K363-M370 WeakPolarHBondContact CG-O 3.35Å; F368-M370 HydrophobicContact CB-CE 4.46Å; F368-M370 HydrophobicContact CB-CG 4.29Å; F368-M370 HydrophobicContact CD1-CE 4.16Å; F368-M370 PolarHBondContact O-N 2.97Å; M370-P373 HydrophobicContact CB-CB 4.24Å; M370-P373 HydrophobicContact CB-CG 4.32Å; M370-P373 HydrophobicContact SD-CB 3.88Å; M370-V418 HydrophobicContact CE-CB 4.46Å; M370-V418 HydrophobicContact CE-CG1 3.97Å; M370-V418 HydrophobicContact SD-CG1 3.49Å; M370-V418 WeakPolarHBondContact SD-CG1 3.38Å; M370-D420 HydrophobicContact CB-CB 4.23Å; M370-D420 HydrophobicContact CG-CB 4.14Å; M370-D420 HydrophobicContact SD-CB 4.04Å; M370-L427 HydrophobicContact CE-CD1 3.57Å
371Q87.1Confident89Confident109 Ų10951 Ų5151%0.50928%0.275SS..SBendtrans-91.9-44-176.7-68.9-69.1-36.100112.1K363 D420 I421 T422K363-Q371 WeakPolarHBondContact CE-O 3.48Å; Q371-D420 PolarHBondContact N-OD1 3.2Å; Q371-D420 PolarHBondContact N-OD2 3.16Å; Q371-D420 VanDerWaalsContact N-OD2 3.11Å; Q371-I421 HydrophobicContact CB-CG2 3.61Å; Q371-I421 HydrophobicContact CG-CG2 4.23Å; Q371-T422 HydrophobicContact CB-CG2 4.45Å; Q371-T422 HydrophobicContact CG-CG2 3.85Å
372S89.9Confident88.6Confident48 Ų4855 Ų5534%0.33629%0.292SS..SBendtrans-149.362.3-173-750000111.3S374 N389 D420S372-S374 PolarHBondContact O-N 3.38Å; S372-N389 WeakPolarHBondContact CB-ND2 3.47Å; S372-N389 PolarHBondContact OG-ND2 3.09Å; S372-D420 VanDerWaalsContact CA-OD1 3.28Å; S372-D420 WeakPolarHBondContact CA-OD1 3.5Å; S372-D420 PolarHBondContact N-OD1 2.94Å
373P93.1Very high88.5Confident1 Ų160.8 Ų60.81%0.00632%0.318CS..  trans-63.6133.6-174.326.9-34.9000111.3I359 L362 K363 M370 V418 D420I359-P373 HydrophobicContact CG2-CG 4.05Å; L362-P373 HydrophobicContact CB-CG 4.34Å; L362-P373 HydrophobicContact CD1-CB 4.25Å; K363-P373 HydrophobicContact CG-CG 4.2Å; M370-P373 HydrophobicContact CB-CB 4.24Å; M370-P373 HydrophobicContact CB-CG 4.32Å; M370-P373 HydrophobicContact SD-CB 3.88Å; P373-V418 HydrophobicContact CB-CG1 3.83Å; P373-D420 VanDerWaalsContact N-OD1 3.16Å
374S93.3Very high88.5Confident23 Ų2362 Ų6216%0.16132%0.321CS..EExtended strand (participates in β ladder)trans-108.9130.6167-63.20000108.4S372 Y387 N389 V418 S419S372-S374 PolarHBondContact O-N 3.38Å; S374-Y387 CarbonylContact C-O 3.58Å; S374-Y387 WeakPolarHBondContact CA-O 3.35Å; S374-N389 PolarHBondContact OG-N 2.86Å; S374-N389 VanDerWaalsContact OG-N 3.1Å; S374-V418 WeakPolarHBondContact O-CA 3.42Å; S374-S419 PolarHBondContact N-O 2.98Å; S374-S419 PolarHBondContact O-N 3.42Å
375I95.4Very high88.7Confident0 Ų059.2 Ų59.20%031%0.305CS..EExtended strand (participates in β ladder)trans-120.5126.7-169.5-49.3179.4000109.6L355 L358 I359 L362 L386 Y387 I416 V418L355-I375 HydrophobicContact CD1-CD1 4Å; L358-I375 HydrophobicContact CD2-CD1 3.93Å; L358-I375 HydrophobicContact CG-CD1 4.01Å; I359-I375 HydrophobicContact CD1-CD1 4.29Å; I359-I375 HydrophobicContact CG1-CD1 3.55Å; I359-I375 HydrophobicContact CG1-CG1 4.48Å; L362-I375 HydrophobicContact CD1-CD1 3.7Å; L362-I375 HydrophobicContact CD1-CG1 4.28Å; I375-L386 HydrophobicContact CB-CB 4.42Å; I375-L386 HydrophobicContact CG2-CB 4.45Å; I375-L386 HydrophobicContact CG2-CD1 3.88Å; I375-L386 WeakPolarHBondContact O-CB 3.32Å; I375-L386 PolarHBondContact O-N 2.86Å; I375-Y387 PolarHBondContact N-O 3.42Å; I375-Y387 PolarHBondContact O-N 3.36Å; I375-Y387 VanDerWaalsContact O-N 3.13Å; I375-I416 HydrophobicContact CG2-CB 4.01Å; I375-I416 HydrophobicContact CG2-CD1 4.05Å; I375-I416 HydrophobicContact CG2-CG2 4.38Å; I375-V418 HydrophobicContact CG1-CG1 4.45Å; I375-V418 HydrophobicContact CG1-CG2 4.32Å; I375-V418 HydrophobicContact CG2-CG2 4.38Å
376T94.8Very high89Confident18 Ų1857 Ų5711%0.1129%0.293CS..EExtended strand (participates in β ladder)trans-129.7164.6174.562.50000109.4H383 R384 I388 I416 H417T376-H383 VanDerWaalsContact CB-CE1 3.42Å; T376-H383 WeakPolarHBondContact CB-CE1 3.42Å; T376-R384 CarbonylContact C-O 3.44Å; T376-R384 VanDerWaalsContact CA-O 3.28Å; T376-R384 WeakPolarHBondContact CA-O 3.42Å; T376-I388 HydrophobicContact CG2-CD1 4.43Å; T376-I416 WeakPolarHBondContact O-CA 3.22Å; T376-H417 PolarHBondContact N-O 3.41Å; T376-H417 PolarHBondContact O-N 3.43Å; T376-H417 WeakPolarHBondContact OG1-CB 3.41Å; T376-H417 PolarHBondContact OG1-O 3.28Å
377T94.4Very high89.6Confident0 Ų055.2 Ų55.20%028%0.278CS..EExtended strand (participates in β ladder)trans-156.2178.3176.4-168.50000109.8I379 R384 L386 L410 Q414 I415T377-I379 HydrophobicContact CG2-CD1 3.95Å; T377-I379 HydrophobicContact CG2-CG1 3.85Å; T377-R384 HydrophobicContact CG2-CB 4.13Å; T377-R384 PolarHBondContact N-O 3.41Å; T377-R384 PolarHBondContact O-N 2.86Å; T377-L386 HydrophobicContact CG2-CD1 4.07Å; T377-L386 HydrophobicContact CG2-CD2 4.03Å; T377-L386 HydrophobicContact CG2-CG 4.1Å; T377-L410 HydrophobicContact CG2-CD2 3.71Å; T377-Q414 PolarHBondContact OG1-NE2 3.1Å; T377-I415 PolarHBondContact OG1-O 3.32Å
378I89.5Confident90.1Very high79 Ų7953.6 Ų53.641%0.40527%0.271SS..EExtended strand (participates in β ladder)trans-117.7121.1172-58.8174.4000107.7Q382 Q414I378-Q382 WeakPolarHBondContact CA-O 3.47Å; I378-Q414 PolarHBondContact O-NE2 3.35Å
379I88Confident89.9Confident19 Ų1956.8 Ų56.810%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-126.3127.4174.8-58.2171.7000106.6T377 D381 Q382 R384 L408 L410T377-I379 HydrophobicContact CG2-CD1 3.95Å; T377-I379 HydrophobicContact CG2-CG1 3.85Å; I379-D381 VanDerWaalsContact C-N 3.33Å; I379-D381 PolarHBondContact O-N 3.01Å; I379-Q382 PolarHBondContact N-O 3.02Å; I379-Q382 PolarHBondContact O-N 3.02Å; I379-R384 HydrophobicContact CB-CG 4.18Å; I379-R384 HydrophobicContact CD1-CG 4.37Å; I379-R384 HydrophobicContact CG1-CG 4.41Å; I379-L408 WeakPolarHBondContact CD1-O 3.39Å; I379-L410 HydrophobicContact CD1-CD2 4.18Å
380D85.8Confident89.8Confident134 Ų13458.4 Ų58.472%0.71730%0.298SS*.THydrogen-bonded Turntrans52.447-176.4-52-42000113Q382D380-Q382 PolarHBondContact O-N 3.32Å
381D80.6Confident89.3Confident162 Ų16263.6 Ų63.687%0.86633%0.332SS*.THydrogen-bonded Turntrans57.712.9-176.4-62.4-46.2000115.2I379I379-D381 VanDerWaalsContact C-N 3.33Å; I379-D381 PolarHBondContact O-N 3.01Å
382Q86.8Confident89.1Confident124 Ų12466.6 Ų66.658%0.57935%0.346SS*.EExtended strand (participates in β ladder)trans-110.2131.7176.4-64.9-172.71.500111.4I378 I379 D380 R384I378-Q382 WeakPolarHBondContact CA-O 3.47Å; I379-Q382 PolarHBondContact N-O 3.02Å; I379-Q382 PolarHBondContact O-N 3.02Å; D380-Q382 PolarHBondContact O-N 3.32Å; Q382-R384 PolarHBondContact O-N 3.45Å
383H89.8Confident88.9Confident121 Ų12167.5 Ų67.556%0.5635%0.347SS*.EExtended strand (participates in β ladder)trans-67.8124.4174.5-164-91.1000110.1T376T376-H383 VanDerWaalsContact CB-CE1 3.42Å; T376-H383 WeakPolarHBondContact CB-CE1 3.42Å
384R91.8Very high88.4Confident117 Ų11768.8 Ų68.844%0.44236%0.355SS..EExtended strand (participates in β ladder)trans-119.5124-178.1-64.8-113.8-166.8-1605.9109.4T376 T377 I379 Q382T376-R384 CarbonylContact C-O 3.44Å; T376-R384 VanDerWaalsContact CA-O 3.28Å; T376-R384 WeakPolarHBondContact CA-O 3.42Å; T377-R384 HydrophobicContact CG2-CB 4.13Å; T377-R384 PolarHBondContact N-O 3.41Å; T377-R384 PolarHBondContact O-N 2.86Å; I379-R384 HydrophobicContact CB-CG 4.18Å; I379-R384 HydrophobicContact CD1-CG 4.37Å; I379-R384 HydrophobicContact CG1-CG 4.41Å; Q382-R384 PolarHBondContact O-N 3.45Å
385S93.3Very high88.1Confident48 Ų4873.3 Ų73.334%0.33638%0.377SS..EExtended strand (participates in β ladder)trans-85116.3170.2-58.80000109.3I388 L397S385-I388 WeakPolarHBondContact OG-CD1 3.33Å; S385-L397 WeakPolarHBondContact O-CD2 3.34Å
386L94Very high87.8Confident5 Ų578.5 Ų78.53%0.02641%0.409CS..EExtended strand (participates in β ladder)trans-85.8-48.2179.7-56.8-177.8000110.4L355 I375 T377 N400 L408 L410L355-L386 HydrophobicContact CD1-CB 4.18Å; L355-L386 HydrophobicContact CD1-CD1 4.4Å; L355-L386 HydrophobicContact CD2-CB 3.92Å; L355-L386 WeakPolarHBondContact CD2-O 3.46Å; I375-L386 HydrophobicContact CB-CB 4.42Å; I375-L386 HydrophobicContact CG2-CB 4.45Å; I375-L386 HydrophobicContact CG2-CD1 3.88Å; I375-L386 WeakPolarHBondContact O-CB 3.32Å; I375-L386 PolarHBondContact O-N 2.86Å; T377-L386 HydrophobicContact CG2-CD1 4.07Å; T377-L386 HydrophobicContact CG2-CD2 4.03Å; T377-L386 HydrophobicContact CG2-CG 4.1Å; L386-N400 WeakPolarHBondContact O-CB 3.43Å; L386-N400 PolarHBondContact O-ND2 3.16Å; L386-N400 VanDerWaalsContact O-ND2 3.13Å; L386-L408 HydrophobicContact CD2-CB 4.45Å; L386-L410 HydrophobicContact CD1-CD1 3.84Å; L386-L410 HydrophobicContact CD1-CD2 3.99Å; L386-L410 HydrophobicContact CD1-CG 4.43Å
387Y95.2Very high87.7Confident30 Ų3078.6 Ų78.612%0.11841%0.408CS..EExtended strand (participates in β ladder)trans-152.7132.1175.4-179.9-103.2000110I359 S374 I375 N389 V394 L401I359-Y387 HydrophobicContact CD1-CD1 3.56Å; I359-Y387 HydrophobicContact CD1-CE1 4.17Å; I359-Y387 HydrophobicContact CD1-CG 3.77Å; S374-Y387 CarbonylContact C-O 3.58Å; S374-Y387 WeakPolarHBondContact CA-O 3.35Å; I375-Y387 PolarHBondContact N-O 3.42Å; I375-Y387 PolarHBondContact O-N 3.36Å; I375-Y387 VanDerWaalsContact O-N 3.13Å; Y387-N389 HydrophobicContact CE1-CB 3.93Å; Y387-N389 PolarHBondContact OH-OD1 2.85Å; Y387-N389 VanDerWaalsContact OH-OD1 3.12Å; Y387-V394 HydrophobicContact CE2-CG2 4.07Å; Y387-L401 HydrophobicContact CD2-CD1 4.25Å; Y387-L401 HydrophobicContact CD2-CD2 3.62Å; Y387-L401 HydrophobicContact CD2-CG 3.99Å; Y387-L401 HydrophobicContact CE2-CD1 3.89Å; Y387-L401 HydrophobicContact CE2-CD2 3.98Å; Y387-L401 HydrophobicContact CE2-CG 4.15Å; Y387-L401 HydrophobicContact CG-CD2 3.99Å
388I90.7Very high87.6Confident23 Ų2384.2 Ų84.212%0.11843%0.433CS..  trans-131.4122.8175.3-63.7173.7000107.9T376 S385 L390 L393 L397T376-I388 HydrophobicContact CG2-CD1 4.43Å; S385-I388 WeakPolarHBondContact OG-CD1 3.33Å; I388-L390 HydrophobicContact CG2-CB 3.95Å; I388-L390 HydrophobicContact CG2-CD1 3.8Å; I388-L390 HydrophobicContact CG2-CG 3.76Å; I388-L390 PolarHBondContact O-N 3.35Å; I388-L393 HydrophobicContact CB-CB 4.21Å; I388-L393 HydrophobicContact CB-CD1 4.2Å; I388-L393 HydrophobicContact CD1-CD1 3.73Å; I388-L393 HydrophobicContact CG2-CB 4.43Å; I388-L393 HydrophobicContact CG2-CD1 4.04Å; I388-L397 HydrophobicContact CB-CD1 3.92Å; I388-L397 HydrophobicContact CD1-CD1 4.26Å; I388-L397 HydrophobicContact CG1-CD1 3.95Å
389N81.8Confident87.8Confident67 Ų6784 Ų8436%0.35844%0.437SS..  trans-84.951.1-177.9-160.841.6000111.8S372 S374 Y387S372-N389 WeakPolarHBondContact CB-ND2 3.47Å; S372-N389 PolarHBondContact OG-ND2 3.09Å; S374-N389 PolarHBondContact OG-N 2.86Å; S374-N389 VanDerWaalsContact OG-N 3.1Å; Y387-N389 HydrophobicContact CE1-CB 3.93Å; Y387-N389 PolarHBondContact OH-OD1 2.85Å; Y387-N389 VanDerWaalsContact OH-OD1 3.12Å
390L80.6Confident88.2Confident95 Ų9584.2 Ų84.250%0.49744%0.438SS..SBendtrans-116.6138.1173.5-69.2174.7000108.9I388 E392 L393 V394I388-L390 HydrophobicContact CG2-CB 3.95Å; I388-L390 HydrophobicContact CG2-CD1 3.8Å; I388-L390 HydrophobicContact CG2-CG 3.76Å; I388-L390 PolarHBondContact O-N 3.35Å; L390-E392 PolarHBondContact O-N 3.08Å; L390-L393 PolarHBondContact O-N 3.32Å; L390-V394 WeakPolarHBondContact O-CB 3.38Å; L390-V394 PolarHBondContact O-N 3.4Å
391P79.5Confident88.6Confident112 Ų11278.8 Ų78.873%0.72741%0.409SS*.Hα-helixtrans-50.1-35.1-176.3-2934.9000114.5L393P391-L393 VanDerWaalsContact C-N 3.35Å; P391-L393 PolarHBondContact O-N 2.91Å
392E83.2Confident89.3Confident172 Ų17275 Ų7580%0.80440%0.395SS*.Hα-helixtrans-71.8-24.5-177.7-62.1167.6-17500114.2L390L390-E392 PolarHBondContact O-N 3.08Å
393L84.5Confident89.7Confident68 Ų6872.9 Ų72.936%0.35638%0.384SS..Hα-helixtrans-119.2-20-172.6-66.4174.4000113I388 L390 P391 D395 T396 L397I388-L393 HydrophobicContact CB-CB 4.21Å; I388-L393 HydrophobicContact CB-CD1 4.2Å; I388-L393 HydrophobicContact CD1-CD1 3.73Å; I388-L393 HydrophobicContact CG2-CB 4.43Å; I388-L393 HydrophobicContact CG2-CD1 4.04Å; L390-L393 PolarHBondContact O-N 3.32Å; P391-L393 VanDerWaalsContact C-N 3.35Å; P391-L393 PolarHBondContact O-N 2.91Å; L393-D395 VanDerWaalsContact C-N 3.34Å; L393-D395 PolarHBondContact O-N 2.57Å; L393-T396 PolarHBondContact O-N 2.99Å; L393-L397 HydrophobicContact CB-CD1 4.24Å; L393-L397 WeakPolarHBondContact O-CG 3.4Å; L393-L397 PolarHBondContact O-N 3.13Å; L393-L397 VanDerWaalsContact O-N 3.07Å
394V83.9Confident90Very high28 Ų2868.7 Ų68.717%0.1737%0.367CS..Hα-helixtrans-59.1-45.4-172.169.40000111Y387 L390 T396 L397 K398Y387-V394 HydrophobicContact CE2-CG2 4.07Å; L390-V394 WeakPolarHBondContact O-CB 3.38Å; L390-V394 PolarHBondContact O-N 3.4Å; V394-T396 PolarHBondContact O-N 3.23Å; V394-L397 PolarHBondContact O-N 2.63Å; V394-K398 WeakPolarHBondContact O-CA 3.49Å; V394-K398 WeakPolarHBondContact O-CB 3.32Å; V394-K398 PolarHBondContact O-N 2.85Å
395D86.5Confident90.1Very high117 Ų11763.1 Ų63.163%0.62635%0.346SS*.Hα-helixtrans-67.8-36.7-177-72.2-28.8000112.7L393 P399L393-D395 VanDerWaalsContact C-N 3.34Å; L393-D395 PolarHBondContact O-N 2.57Å; D395-P399 WeakPolarHBondContact O-CD 3.35Å
396T89.9Confident90.1Very high109 Ų10967.1 Ų67.167%0.66936%0.359SS*.Hα-helixtrans-68.8-35.3177.6-530000112L393 V394 P399L393-T396 PolarHBondContact O-N 2.99Å; V394-T396 PolarHBondContact O-N 3.23Å; T396-P399 WeakPolarHBondContact O-CD 3.43Å
397L92.8Very high90Very high20 Ų2073.1 Ų73.111%0.10539%0.387CS..Hα-helixtrans-95.6-16.7-176.1-62.2176.6000113.3S385 I388 L393 V394 P399 N400S385-L397 WeakPolarHBondContact O-CD2 3.34Å; I388-L397 HydrophobicContact CB-CD1 3.92Å; I388-L397 HydrophobicContact CD1-CD1 4.26Å; I388-L397 HydrophobicContact CG1-CD1 3.95Å; L393-L397 HydrophobicContact CB-CD1 4.24Å; L393-L397 WeakPolarHBondContact O-CG 3.4Å; L393-L397 PolarHBondContact O-N 3.13Å; L393-L397 VanDerWaalsContact O-N 3.07Å; V394-L397 PolarHBondContact O-N 2.63Å; L397-P399 VanDerWaalsContact C-N 3.29Å; L397-N400 VanDerWaalsContact O-CB 3.27Å; L397-N400 WeakPolarHBondContact O-CB 3.39Å; L397-N400 PolarHBondContact O-N 3.14Å
398K91.5Very high89.9Confident119 Ų11972.8 Ų72.852%0.51739%0.387SS..G310 helixtrans-51.3-37.9177.5-164.3174.2-175.1176.20113.9V394 N400 L401V394-K398 WeakPolarHBondContact O-CA 3.49Å; V394-K398 WeakPolarHBondContact O-CB 3.32Å; V394-K398 PolarHBondContact O-N 2.85Å; K398-N400 PolarHBondContact O-N 3.23Å; K398-L401 HydrophobicContact CG-CD1 4.1Å; K398-L401 VanDerWaalsContact O-CB 3.28Å; K398-L401 WeakPolarHBondContact O-CB 3.36Å; K398-L401 WeakPolarHBondContact O-CG 3.43Å; K398-L401 PolarHBondContact O-N 3.29Å; K398-L401 VanDerWaalsContact O-N 3.09Å
399P94.1Very high90Very high74 Ų7473.4 Ų73.448%0.48140%0.399SS..G310 helixtrans-61.7-22.6175.5-24.535.8000114.3D395 T396 L397 L401 S402D395-P399 WeakPolarHBondContact O-CD 3.35Å; T396-P399 WeakPolarHBondContact O-CD 3.43Å; L397-P399 VanDerWaalsContact C-N 3.29Å; P399-L401 PolarHBondContact O-N 2.97Å; P399-S402 PolarHBondContact O-OG 3.06Å
400N95.5Very high90.5Very high24 Ų2470.3 Ų70.313%0.12838%0.382CS..G310 helixtrans-71-21176.4-66.5-22.8000112.5L355 L386 L397 K398 S402 K403 L408L355-N400 WeakPolarHBondContact CB-O 3.45Å; L355-N400 HydrophobicContact CD2-CB 3.85Å; L386-N400 WeakPolarHBondContact O-CB 3.43Å; L386-N400 PolarHBondContact O-ND2 3.16Å; L386-N400 VanDerWaalsContact O-ND2 3.13Å; L397-N400 VanDerWaalsContact O-CB 3.27Å; L397-N400 WeakPolarHBondContact O-CB 3.39Å; L397-N400 PolarHBondContact O-N 3.14Å; K398-N400 PolarHBondContact O-N 3.23Å; N400-S402 PolarHBondContact O-N 3.5Å; N400-K403 WeakPolarHBondContact O-CB 3.48Å; N400-K403 PolarHBondContact O-N 2.98Å; N400-K403 PolarHBondContact OD1-NZ 3.27Å; N400-L408 HydrophobicContact CB-CD1 4.46Å; N400-L408 HydrophobicContact CB-CD2 3.86Å
401L94.7Very high91.1Very high19 Ų1971 Ų7110%0.09939%0.385CS..G310 helixtrans-60.4-32-178.2-67.4178.6000113.2L355 R356 I359 Y387 K398 P399L355-L401 HydrophobicContact CD2-CD2 4.33Å; L355-L401 HydrophobicContact CG-CD2 4.28Å; R356-L401 HydrophobicContact CB-CB 4.33Å; R356-L401 WeakPolarHBondContact CB-O 3.35Å; R356-L401 PolarHBondContact N-O 3.48Å; I359-L401 HydrophobicContact CD1-CD2 3.41Å; I359-L401 VanDerWaalsContact CD1-CD2 3.41Å; Y387-L401 HydrophobicContact CD2-CD1 4.25Å; Y387-L401 HydrophobicContact CD2-CD2 3.62Å; Y387-L401 HydrophobicContact CD2-CG 3.99Å; Y387-L401 HydrophobicContact CE2-CD1 3.89Å; Y387-L401 HydrophobicContact CE2-CD2 3.98Å; Y387-L401 HydrophobicContact CE2-CG 4.15Å; Y387-L401 HydrophobicContact CG-CD2 3.99Å; K398-L401 HydrophobicContact CG-CD1 4.1Å; K398-L401 VanDerWaalsContact O-CB 3.28Å; K398-L401 WeakPolarHBondContact O-CB 3.36Å; K398-L401 WeakPolarHBondContact O-CG 3.43Å; K398-L401 PolarHBondContact O-N 3.29Å; K398-L401 VanDerWaalsContact O-N 3.09Å; P399-L401 PolarHBondContact O-N 2.97Å
402S95.1Very high91.7Very high82 Ų8270.5 Ų70.557%0.57338%0.377SS*.G310 helixtrans-86.7-11178.150.50000113.7P399 N400P399-S402 PolarHBondContact O-OG 3.06Å; N400-S402 PolarHBondContact O-N 3.5Å
403K95.9Very high92Very high81 Ų8163.7 Ų63.735%0.35235%0.353SS..SBendtrans-78.9144.5178.2-63.2178.9-173.31650109.8T354 L355 N400 E407 L408T354-K403 WeakPolarHBondContact CA-O 3.38Å; T354-K403 WeakPolarHBondContact CB-O 3.46Å; L355-K403 PolarHBondContact N-O 3.17Å; N400-K403 WeakPolarHBondContact O-CB 3.48Å; N400-K403 PolarHBondContact O-N 2.98Å; N400-K403 PolarHBondContact OD1-NZ 3.27Å; K403-E407 VanDerWaalsContact CA-OE2 3.26Å; K403-E407 WeakPolarHBondContact CA-OE2 3.4Å; K403-E407 HydrophobicContact CB-CB 4.1Å; K403-L408 HydrophobicContact CB-CD1 4.39Å; K403-L408 HydrophobicContact CB-CD2 4.07Å; K403-L408 HydrophobicContact CB-CG 3.93Å; K403-L408 HydrophobicContact CD-CD2 3.72Å; K403-L408 HydrophobicContact CD-CG 4.44Å
404T95.8Very high92.3Very high33 Ų3361.9 Ų61.920%0.20234%0.342CS..BIsolated β-bridgetrans-64.6155.8170.364.30000110.5C353 Q406 E407 L408C353-T404 WeakPolarHBondContact O-CA 3.46Å; T404-Q406 PolarHBondContact O-N 2.91Å; T404-E407 PolarHBondContact N-OE2 3.08Å; T404-E407 PolarHBondContact O-N 3.41Å; T404-E407 WeakPolarHBondContact OG1-CB 3.15Å; T404-E407 WeakPolarHBondContact OG1-CG 3.43Å; T404-E407 PolarHBondContact OG1-N 2.72Å; T404-E407 PolarHBondContact OG1-OE2 3.37Å; T404-L408 PolarHBondContact O-N 3.31Å; T404-L408 VanDerWaalsContact O-N 3.14Å
405L93.9Very high92.7Very high0 Ų063.7 Ų63.70%035%0.351CS..THydrogen-bonded Turntrans-57.2-36.4174.6-60.4-177.6000111L349 C353 L355 L358 L408 G409 L410 L431 L433L349-L405 HydrophobicContact CD1-CD1 3.71Å; C353-L405 HydrophobicContact CB-CD1 4.22Å; C353-L405 WeakPolarHBondContact O-CG 3.48Å; C353-L405 PolarHBondContact O-N 2.87Å; L355-L405 HydrophobicContact CD1-CD2 4.5Å; L358-L405 HydrophobicContact CB-CD2 4.17Å; L358-L405 HydrophobicContact CD2-CD2 3.87Å; L405-L408 PolarHBondContact O-N 2.96Å; L405-G409 PolarHBondContact O-N 3.48Å; L405-L410 HydrophobicContact CB-CB 4.21Å; L405-L410 HydrophobicContact CB-CD1 3.94Å; L405-L410 HydrophobicContact CD2-CD1 3.71Å; L405-L410 HydrophobicContact CG-CD1 4.3Å; L405-L410 VanDerWaalsContact O-CB 3.24Å; L405-L410 WeakPolarHBondContact O-CB 3.44Å; L405-L410 WeakPolarHBondContact O-CG 3.29Å; L405-L410 PolarHBondContact O-N 3.4Å; L405-L431 HydrophobicContact CD1-CD1 4.42Å; L405-L433 HydrophobicContact CD1-CD2 3.84Å
406Q92.1Very high93.1Very high131 Ų13158.1 Ų58.161%0.61232%0.321SS*.THydrogen-bonded Turntrans-67.9-41.4176.3-168.3177.213.400113T404 L408 G409T404-Q406 PolarHBondContact O-N 2.91Å; Q406-L408 PolarHBondContact O-N 3.04Å; Q406-G409 WeakPolarHBondContact O-CA 3.38Å; Q406-G409 PolarHBondContact O-N 3.02Å
407E93.3Very high93.2Very high131 Ų13155 Ų5561%0.61230%0.299SS*.THydrogen-bonded Turntrans-63.4-24.7174-77.8169.4152.700112.9K403 T404 G409K403-E407 VanDerWaalsContact CA-OE2 3.26Å; K403-E407 WeakPolarHBondContact CA-OE2 3.4Å; K403-E407 HydrophobicContact CB-CB 4.1Å; T404-E407 PolarHBondContact N-OE2 3.08Å; T404-E407 PolarHBondContact O-N 3.41Å; T404-E407 WeakPolarHBondContact OG1-CB 3.15Å; T404-E407 WeakPolarHBondContact OG1-CG 3.43Å; T404-E407 PolarHBondContact OG1-N 2.72Å; T404-E407 PolarHBondContact OG1-OE2 3.37Å; E407-G409 VanDerWaalsContact C-N 3.26Å
408L93.4Very high93.1Very high24 Ų2454.1 Ų54.113%0.12629%0.294CS..THydrogen-bonded Turntrans-84.31.2173-66.9172.8000113.2L355 I379 L386 N400 K403 T404 L405 Q406 L410L355-L408 HydrophobicContact CB-CD1 3.72Å; L355-L408 HydrophobicContact CD1-CD1 4.47Å; L355-L408 HydrophobicContact CD2-CD1 3.84Å; L355-L408 HydrophobicContact CG-CD1 4.22Å; I379-L408 WeakPolarHBondContact CD1-O 3.39Å; L386-L408 HydrophobicContact CD2-CB 4.45Å; N400-L408 HydrophobicContact CB-CD1 4.46Å; N400-L408 HydrophobicContact CB-CD2 3.86Å; K403-L408 HydrophobicContact CB-CD1 4.39Å; K403-L408 HydrophobicContact CB-CD2 4.07Å; K403-L408 HydrophobicContact CB-CG 3.93Å; K403-L408 HydrophobicContact CD-CD2 3.72Å; K403-L408 HydrophobicContact CD-CG 4.44Å; T404-L408 PolarHBondContact O-N 3.31Å; T404-L408 VanDerWaalsContact O-N 3.14Å; L405-L408 PolarHBondContact O-N 2.96Å; Q406-L408 PolarHBondContact O-N 3.04Å; L408-L410 HydrophobicContact CB-CG 4.37Å
409G91.9Very high93.1Very high35 Ų3550.5 Ų50.536%0.36128%0.284SS..THydrogen-bonded Turntrans80.513.3-179.700000114.3L405 Q406 E407L405-G409 PolarHBondContact O-N 3.48Å; Q406-G409 WeakPolarHBondContact O-CA 3.38Å; Q406-G409 PolarHBondContact O-N 3.02Å; E407-G409 VanDerWaalsContact C-N 3.26Å
410L92.8Very high92.9Very high2 Ų247.6 Ų47.61%0.0126%0.264CS..  trans-80.6131.5176.4-50.9174.7000110T377 I379 L386 L405 L408 Q414 I416 L431T377-L410 HydrophobicContact CG2-CD2 3.71Å; I379-L410 HydrophobicContact CD1-CD2 4.18Å; L386-L410 HydrophobicContact CD1-CD1 3.84Å; L386-L410 HydrophobicContact CD1-CD2 3.99Å; L386-L410 HydrophobicContact CD1-CG 4.43Å; L405-L410 HydrophobicContact CB-CB 4.21Å; L405-L410 HydrophobicContact CB-CD1 3.94Å; L405-L410 HydrophobicContact CD2-CD1 3.71Å; L405-L410 HydrophobicContact CG-CD1 4.3Å; L405-L410 VanDerWaalsContact O-CB 3.24Å; L405-L410 WeakPolarHBondContact O-CB 3.44Å; L405-L410 WeakPolarHBondContact O-CG 3.29Å; L405-L410 PolarHBondContact O-N 3.4Å; L408-L410 HydrophobicContact CB-CG 4.37Å; L410-Q414 HydrophobicContact CB-CG 4.37Å; L410-Q414 HydrophobicContact CD2-CG 3.81Å; L410-I416 HydrophobicContact CD2-CG2 4.48Å; L410-L431 HydrophobicContact CB-CD1 4.27Å; L410-L431 HydrophobicContact CD1-CD1 3.94Å
411I91.8Very high92.5Very high110 Ų11051.2 Ų51.256%0.56428%0.282SS*.  trans-110.7165-179.659.4173.2000111.6G413 Q414I411-G413 PolarHBondContact O-N 3.32Å; I411-Q414 HydrophobicContact CG1-CB 4.2Å; I411-Q414 WeakPolarHBondContact O-CB 3.45Å; I411-Q414 PolarHBondContact O-N 3.4Å
412N92.2Very high92Very high101 Ų10150.4 Ų50.454%0.5428%0.278SS..THydrogen-bonded Turntrans-59.1129.5171.3-174.636000110.3Q432 L433N412-Q432 VanDerWaalsContact OD1-CA 3.31Å; N412-Q432 WeakPolarHBondContact OD1-CA 3.26Å; N412-L433 HydrophobicContact CB-CB 4.29Å; N412-L433 PolarHBondContact OD1-N 2.97Å
413G90.3Very high91.3Very high29 Ų2947.2 Ų47.230%0.29926%0.255SS..THydrogen-bonded Turntrans86.7-2.9-174.200000115.2I411 L431I411-G413 PolarHBondContact O-N 3.32Å; G413-L431 WeakPolarHBondContact CA-O 3.45Å; G413-L431 PolarHBondContact N-O 3.45Å
414Q91.7Very high90.6Very high30 Ų3046 Ų4614%0.1426%0.256CS..PPolyproline II helixtrans-58.6136.3177.5-17564.539.500111.1T377 I378 L410 I411 L431T377-Q414 PolarHBondContact OG1-NE2 3.1Å; I378-Q414 PolarHBondContact O-NE2 3.35Å; L410-Q414 HydrophobicContact CB-CG 4.37Å; L410-Q414 HydrophobicContact CD2-CG 3.81Å; I411-Q414 HydrophobicContact CG1-CB 4.2Å; I411-Q414 WeakPolarHBondContact O-CB 3.45Å; I411-Q414 PolarHBondContact O-N 3.4Å; Q414-L431 PolarHBondContact O-N 2.9Å
415I91.8Very high89.9Confident67 Ų6746.7 Ų46.734%0.34426%0.255SS..EExtended strand (participates in β ladder)trans-93.1123.6173.6-60177.2000108.8T377 I429T377-I415 PolarHBondContact OG1-O 3.32Å; I415-I429 CarbonylContact C-O 3.6Å; I415-I429 WeakPolarHBondContact CA-O 3.43Å
416I93.9Very high89.5Confident0 Ų050.2 Ų50.20%028%0.276CS..EExtended strand (participates in β ladder)trans-101.4148167.164.3171.4000109.5L358 I375 T376 L410 V418 S428 I429 L431L358-I416 HydrophobicContact CD1-CD1 4.1Å; L358-I416 HydrophobicContact CD2-CD1 3.82Å; I375-I416 HydrophobicContact CG2-CB 4.01Å; I375-I416 HydrophobicContact CG2-CD1 4.05Å; I375-I416 HydrophobicContact CG2-CG2 4.38Å; T376-I416 WeakPolarHBondContact O-CA 3.22Å; L410-I416 HydrophobicContact CD2-CG2 4.48Å; I416-V418 HydrophobicContact CD1-CG2 3.85Å; I416-V418 HydrophobicContact CG1-CG2 4.07Å; I416-S428 WeakPolarHBondContact O-CA 3.2Å; I416-I429 HydrophobicContact CD1-CB 4.23Å; I416-I429 HydrophobicContact CG1-CB 3.78Å; I416-I429 HydrophobicContact CG1-CG2 4.4Å; I416-I429 WeakPolarHBondContact CG1-O 3.42Å; I416-I429 PolarHBondContact N-O 2.98Å; I416-I429 PolarHBondContact O-N 3.39Å; I416-L431 HydrophobicContact CD1-CD2 3.92Å; I416-L431 HydrophobicContact CD1-CG 4.5Å; I416-L431 HydrophobicContact CG1-CD2 4.33Å; I416-L431 HydrophobicContact CG1-CG 4.48Å; I416-L431 HydrophobicContact CG2-CD1 3.78Å; I416-L431 HydrophobicContact CG2-CG 4.14Å
417H91.7Very high89.2Confident44 Ų4444.6 Ų44.620%0.20425%0.25CC..EExtended strand (participates in β ladder)trans-111.3115.9176.9-61.2-61.4000108.1T376 T426 L427 S428T376-H417 PolarHBondContact N-O 3.41Å; T376-H417 PolarHBondContact O-N 3.43Å; T376-H417 WeakPolarHBondContact OG1-CB 3.41Å; T376-H417 PolarHBondContact OG1-O 3.28Å; H417-T426 HydrophobicContact CB-CG2 3.67Å; H417-L427 CarbonylContact C-O 3.53Å; H417-L427 WeakPolarHBondContact CA-O 3.37Å; H417-S428 PolarHBondContact ND1-OG 2.88Å
418V92.4Very high88.9Confident0 Ų040.3 Ų40.30%024%0.235CC..EExtended strand (participates in β ladder)trans-113.3122.7-174.4-171.60000109.8L362 M370 P373 S374 I375 I416 T426 L427 I429L362-V418 HydrophobicContact CD1-CG1 4.14Å; L362-V418 HydrophobicContact CD1-CG2 4.17Å; M370-V418 HydrophobicContact CE-CB 4.46Å; M370-V418 HydrophobicContact CE-CG1 3.97Å; M370-V418 HydrophobicContact SD-CG1 3.49Å; M370-V418 WeakPolarHBondContact SD-CG1 3.38Å; P373-V418 HydrophobicContact CB-CG1 3.83Å; S374-V418 WeakPolarHBondContact O-CA 3.42Å; I375-V418 HydrophobicContact CG1-CG1 4.45Å; I375-V418 HydrophobicContact CG1-CG2 4.32Å; I375-V418 HydrophobicContact CG2-CG2 4.38Å; I416-V418 HydrophobicContact CD1-CG2 3.85Å; I416-V418 HydrophobicContact CG1-CG2 4.07Å; V418-T426 WeakPolarHBondContact O-CA 3.42Å; V418-L427 PolarHBondContact N-O 3.48Å; V418-L427 PolarHBondContact O-N 3.45Å; V418-I429 HydrophobicContact CB-CD1 4.46Å; V418-I429 HydrophobicContact CG2-CD1 3.86Å; V418-I429 HydrophobicContact CG2-CG1 4.44Å
419S90.1Very high88.8Confident44 Ų4439.2 Ų39.231%0.30823%0.229SC..EExtended strand (participates in β ladder)trans-109.2140171.7-47.90000108.7S374 T426S374-S419 PolarHBondContact N-O 2.98Å; S374-S419 PolarHBondContact O-N 3.42Å; S419-T426 PolarHBondContact OG-OG1 3.09Å
420D89.9Confident88.7Confident12 Ų1242 Ų426%0.06423%0.231CC..EExtended strand (participates in β ladder)trans-149.7156-178.9-175.357.3000111M370 Q371 S372 P373 T422 T423M370-D420 HydrophobicContact CB-CB 4.23Å; M370-D420 HydrophobicContact CG-CB 4.14Å; M370-D420 HydrophobicContact SD-CB 4.04Å; Q371-D420 PolarHBondContact N-OD1 3.2Å; Q371-D420 PolarHBondContact N-OD2 3.16Å; Q371-D420 VanDerWaalsContact N-OD2 3.11Å; S372-D420 VanDerWaalsContact CA-OD1 3.28Å; S372-D420 WeakPolarHBondContact CA-OD1 3.5Å; S372-D420 PolarHBondContact N-OD1 2.94Å; P373-D420 VanDerWaalsContact N-OD1 3.16Å; D420-T422 PolarHBondContact O-N 3Å; D420-T422 VanDerWaalsContact O-N 3.15Å; D420-T422 WeakPolarHBondContact OD2-CB 3.46Å; D420-T422 WeakPolarHBondContact OD2-CG2 3.5Å; D420-T422 PolarHBondContact OD2-N 3.39Å; D420-T422 PolarHBondContact OD2-OG1 3.23Å; D420-T423 HydrophobicContact CB-CG2 4.42Å; D420-T423 CarbonylContact O-C 3.54Å; D420-T423 PolarHBondContact O-N 3.19Å; D420-T423 VanDerWaalsContact O-N 3.11Å
421I87Confident88.8Confident101 Ų10142 Ų4252%0.51823%0.231SC..THydrogen-bonded Turntrans-63.6-19177.4-168.9167.8000113.4Q371 T423Q371-I421 HydrophobicContact CB-CG2 3.61Å; Q371-I421 HydrophobicContact CG-CG2 4.23Å; I421-T423 PolarHBondContact O-N 3.32Å
422T84.2Confident88.9Confident2 Ų239.1 Ų39.11%0.01222%0.215CC..THydrogen-bonded Turntrans-71.6-13.617558.20000113.8T142 R145 W146 Q371 D420T142-T422 HydrophobicContact CG2-CG2 4.07Å; R145-T422 CarbonylContact C-O 3.57Å; W146-T422 WeakPolarHBondContact CA-O 3.45Å; W146-T422 PolarHBondContact N-O 3.01Å; W146-T422 VanDerWaalsContact N-O 3.16Å; Q371-T422 HydrophobicContact CB-CG2 4.45Å; Q371-T422 HydrophobicContact CG-CG2 3.85Å; D420-T422 PolarHBondContact O-N 3Å; D420-T422 VanDerWaalsContact O-N 3.15Å; D420-T422 WeakPolarHBondContact OD2-CB 3.46Å; D420-T422 WeakPolarHBondContact OD2-CG2 3.5Å; D420-T422 PolarHBondContact OD2-N 3.39Å; D420-T422 PolarHBondContact OD2-OG1 3.23Å
423T81.5Confident88.8Confident14 Ų1435.1 Ų35.19%0.08619%0.194CC..EExtended strand (participates in β ladder)trans-147.1132.6-175.9169.30000111.6S149 D420 I421 R425 L427S149-T423 PolarHBondContact OG-OG1 2.91Å; D420-T423 HydrophobicContact CB-CG2 4.42Å; D420-T423 CarbonylContact O-C 3.54Å; D420-T423 PolarHBondContact O-N 3.19Å; D420-T423 VanDerWaalsContact O-N 3.11Å; I421-T423 PolarHBondContact O-N 3.32Å; T423-R425 WeakPolarHBondContact CG2-O 3.18Å; T423-R425 PolarHBondContact O-N 3.36Å; T423-R425 PolarHBondContact OG1-N 2.87Å; T423-R425 PolarHBondContact OG1-O 3.18Å; T423-R425 VanDerWaalsContact OG1-O 3.12Å; T423-L427 HydrophobicContact CG2-CD1 4.07Å; T423-L427 HydrophobicContact CG2-CG 4.3Å
424P80.2Confident88.6Confident56 Ų5636.6 Ų36.636%0.36420%0.195SC..EExtended strand (participates in β ladder)trans-71.3-11.2171.430.6-33.8000112.8W146 M150W146-P424 HydrophobicContact CD2-CG 4.44Å; W146-P424 HydrophobicContact CZ2-CB 3.91Å; W146-P424 HydrophobicContact CZ2-CG 4.29Å; W146-P424 WeakPolarHBondContact O-CD 3.28Å; M150-P424 HydrophobicContact CB-CG 3.94Å; M150-P424 HydrophobicContact SD-CG 4.42Å
425R82Confident87.9Confident48 Ų4842.1 Ų42.118%0.18123%0.225CC..EExtended strand (participates in β ladder)trans-97.9142.3-178.3-55179.469.4-164.9-13.2110.7S149 A339 N342 T423 L427S149-R425 WeakPolarHBondContact OG-CD 3.27Å; S149-R425 WeakPolarHBondContact OG-CG 3.28Å; A339-R425 PolarHBondContact O-NH1 3.41Å; A339-R425 VanDerWaalsContact O-NH1 3.12Å; N342-R425 VanDerWaalsContact CG-NH2 3.3Å; N342-R425 PolarHBondContact OD1-NH2 2.93Å; T423-R425 WeakPolarHBondContact CG2-O 3.18Å; T423-R425 PolarHBondContact O-N 3.36Å; T423-R425 PolarHBondContact OG1-N 2.87Å; T423-R425 PolarHBondContact OG1-O 3.18Å; T423-R425 VanDerWaalsContact OG1-O 3.12Å; R425-L427 PolarHBondContact O-N 3.48Å
426T84.5Confident86.2Confident73 Ų7350.2 Ų50.245%0.44826%0.258SS..EExtended strand (participates in β ladder)trans-76.9120.7165-60.60000109.1H417 V418 S419H417-T426 HydrophobicContact CB-CG2 3.67Å; V418-T426 WeakPolarHBondContact O-CA 3.42Å; S419-T426 PolarHBondContact OG-OG1 3.09Å
427L86.7Confident85.8Confident13 Ų1352.8 Ų52.87%0.06827%0.271CS..EExtended strand (participates in β ladder)trans-86.6138.3179.4-63.1172.1000109.6L338 M370 H417 V418 T423 R425L338-L427 HydrophobicContact CB-CD1 4.3Å; L338-L427 HydrophobicContact CB-CD2 4.05Å; L338-L427 HydrophobicContact CD1-CD1 4.16Å; L338-L427 HydrophobicContact CD2-CD1 4.11Å; L338-L427 HydrophobicContact CD2-CD2 4.24Å; L338-L427 HydrophobicContact CG-CD1 4.44Å; L338-L427 WeakPolarHBondContact O-CD2 3.4Å; M370-L427 HydrophobicContact CE-CD1 3.57Å; H417-L427 CarbonylContact C-O 3.53Å; H417-L427 WeakPolarHBondContact CA-O 3.37Å; V418-L427 PolarHBondContact N-O 3.48Å; V418-L427 PolarHBondContact O-N 3.45Å; T423-L427 HydrophobicContact CG2-CD1 4.07Å; T423-L427 HydrophobicContact CG2-CG 4.3Å; R425-L427 PolarHBondContact O-N 3.48Å
428S87.1Confident85.5Confident42 Ų4253.2 Ų53.229%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-97.6127172-62.10000109.2P344 R345 I416 H417P344-S428 WeakPolarHBondContact CA-O 3.44Å; R345-S428 PolarHBondContact N-O 3.22Å; I416-S428 WeakPolarHBondContact O-CA 3.2Å; H417-S428 PolarHBondContact ND1-OG 2.88Å
429I90.8Very high85.1Confident0 Ų056.2 Ų56.20%029%0.29CS..EExtended strand (participates in β ladder)trans-123.9123.6178.8-57.1177.8000107.4R345 L347 L362 F368 I415 I416 V418R345-I429 CarbonylContact O-C 3.55Å; R345-I429 WeakPolarHBondContact O-CA 3.36Å; R345-I429 WeakPolarHBondContact O-CG2 3.47Å; L347-I429 HydrophobicContact CB-CG2 3.48Å; L347-I429 VanDerWaalsContact CB-CG2 3.48Å; L347-I429 HydrophobicContact CD2-CG2 4.27Å; L362-I429 HydrophobicContact CD2-CD1 3.56Å; F368-I429 HydrophobicContact CD1-CD1 4.3Å; F368-I429 HydrophobicContact CE1-CD1 3.82Å; F368-I429 HydrophobicContact CZ-CD1 4.38Å; I415-I429 CarbonylContact C-O 3.6Å; I415-I429 WeakPolarHBondContact CA-O 3.43Å; I416-I429 HydrophobicContact CD1-CB 4.23Å; I416-I429 HydrophobicContact CG1-CB 3.78Å; I416-I429 HydrophobicContact CG1-CG2 4.4Å; I416-I429 WeakPolarHBondContact CG1-O 3.42Å; I416-I429 PolarHBondContact N-O 2.98Å; I416-I429 PolarHBondContact O-N 3.39Å; V418-I429 HydrophobicContact CB-CD1 4.46Å; V418-I429 HydrophobicContact CG2-CD1 3.86Å; V418-I429 HydrophobicContact CG2-CG1 4.44Å
430K91.3Very high84.8Confident94 Ų9456.9 Ų56.941%0.40929%0.289SS..EExtended strand (participates in β ladder)trans-84.8119.9172.4-174.9177.9-178.1179.20109P344 R345 T346 L347P344-K430 HydrophobicContact CB-CB 4.44Å; R345-K430 PolarHBondContact O-N 3.25Å; T346-K430 CarbonylContact C-O 3.58Å; T346-K430 VanDerWaalsContact CA-O 3.26Å; T346-K430 WeakPolarHBondContact CA-O 3.43Å; L347-K430 PolarHBondContact N-O 3.33Å
431L93.7Very high84.5Confident1 Ų159.7 Ų59.71%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-75.5131.8174.9-61.4-179.1000110L347 L349 L358 L405 L410 G413 Q414 I416 L433L347-L431 HydrophobicContact CD2-CD2 4.48Å; L349-L431 HydrophobicContact CD1-CD2 4.07Å; L358-L431 HydrophobicContact CD1-CD2 4.43Å; L405-L431 HydrophobicContact CD1-CD1 4.42Å; L410-L431 HydrophobicContact CB-CD1 4.27Å; L410-L431 HydrophobicContact CD1-CD1 3.94Å; G413-L431 WeakPolarHBondContact CA-O 3.45Å; G413-L431 PolarHBondContact N-O 3.45Å; Q414-L431 PolarHBondContact O-N 2.9Å; I416-L431 HydrophobicContact CD1-CD2 3.92Å; I416-L431 HydrophobicContact CD1-CG 4.5Å; I416-L431 HydrophobicContact CG1-CD2 4.33Å; I416-L431 HydrophobicContact CG1-CG 4.48Å; I416-L431 HydrophobicContact CG2-CD1 3.78Å; I416-L431 HydrophobicContact CG2-CG 4.14Å; L431-L433 HydrophobicContact CB-CD2 4.39Å
432Q93.3Very high84.4Confident51 Ų5156.9 Ų56.924%0.23829%0.288CS..EExtended strand (participates in β ladder)trans-112.8109.1164.6178.4176.7-100107.5T346 L347 R348 L349 N412 D434T346-Q432 HydrophobicContact CG2-CB 3.66Å; L347-Q432 PolarHBondContact O-N 3.19Å; R348-Q432 CarbonylContact C-O 3.51Å; R348-Q432 WeakPolarHBondContact CA-O 3.47Å; R348-Q432 HydrophobicContact CG-CB 3.99Å; R348-Q432 HydrophobicContact CG-CG 4.11Å; L349-Q432 PolarHBondContact N-O 3.36Å; N412-Q432 VanDerWaalsContact OD1-CA 3.31Å; N412-Q432 WeakPolarHBondContact OD1-CA 3.26Å; Q432-D434 PolarHBondContact NE2-OD1 3.38Å
433L91Very high84.4Confident17 Ų1760.9 Ų60.99%0.08931%0.308CS..EExtended strand (participates in β ladder)trans-97.8111.3-178.2-56.4-178.7000108.5L349 L405 N412 L431L349-L433 HydrophobicContact CB-CD2 4.15Å; L349-L433 WeakPolarHBondContact O-CA 3.45Å; L405-L433 HydrophobicContact CD1-CD2 3.84Å; N412-L433 HydrophobicContact CB-CB 4.29Å; N412-L433 PolarHBondContact OD1-N 2.97Å; L431-L433 HydrophobicContact CB-CD2 4.39Å
434D86.1Confident84.6Confident59 Ų5964.5 Ų64.532%0.31633%0.325SS..EExtended strand (participates in β ladder)trans-107.8136.5-179-65.1-34.2000110L349 Q350 T351 Q432 K436L349-D434 PolarHBondContact O-N 3.08Å; Q350-D434 WeakPolarHBondContact CA-O 3.25Å; T351-D434 PolarHBondContact N-O 3.41Å; T351-D434 VanDerWaalsContact N-O 3.16Å; T351-D434 PolarHBondContact OG1-O 2.98Å; Q432-D434 PolarHBondContact NE2-OD1 3.38Å; D434-K436 PolarHBondContact O-N 2.84Å
435D76.1Confident85Confident147 Ų14765.2 Ų65.279%0.78632%0.322SS*.  trans-80.39.4179.6-66.8-36.2000113.9T351T351-D435 VanDerWaalsContact CB-OD1 3.29Å; T351-D435 WeakPolarHBondContact CB-OD1 3.42Å; T351-D435 PolarHBondContact OG1-OD1 2.88Å
436K57.4Low85.3Confident237 Ų23766.7 Ų66.7100%1.0334%0.335SS*.  trans-105.50-169.4-75.4-170.1177.9-178.70115.3Q350 D434Q350-K436 PolarHBondContact NE2-O 2.82Å; D434-K436 PolarHBondContact O-N 2.84Å

Retrieved 436 of 436 residues in 184.8 ms (Link to these results)

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