A0A087YC47_POEFO Loading...

Histone deacetylase 2

Histone deacetylase that catalyzes the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events. Histone deacetylases act via the formation of large multiprotein complexes.

AlphaFold DB , UniProt , Accession A0A087YC47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 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
1M32.8Very low48.3Very low227 Ų227125 Ų125100%1.11876%0.762SS**  0126.80-71.6-178.1-172.100107.1Y3M1-Y3 PolarHBondContact O-N 3.46Å
2A27.5Very low52.4Low100 Ų100121.5 Ų121.583%0.82673%0.729SS**  trans-72.3116176.600000108T4A2-T4 PolarHBondContact O-N 3.35Å
3Y35.1Very low56Low203 Ų203112.4 Ų112.480%0.79667%0.674SS**  trans-66.9105.4169.2-71.8-80.9000107.1M1 T5M1-Y3 PolarHBondContact O-N 3.46Å; Y3-T5 PolarHBondContact O-N 3.06Å
4T34.1Very low59Low130 Ų130104.4 Ų104.480%0.79863%0.626SS**  trans-59.1119167.230.20000108A2 A6A2-T4 PolarHBondContact O-N 3.35Å; T4-A6 PolarHBondContact O-N 3.48Å
5T35.4Very low61.7Low144 Ų14497.5 Ų97.588%0.88358%0.584SS**  trans-63.680.8165.238.90000108.5Y3 G7Y3-T5 PolarHBondContact O-N 3.06Å; T5-G7 PolarHBondContact O-N 2.74Å
6A38.9Very low64Low87 Ų8792.1 Ų92.172%0.71955%0.55SS**  trans-61.6123.6162.500000106.6T4 G8T4-A6 PolarHBondContact O-N 3.48Å; A6-G8 PolarHBondContact O-N 3.04Å
7G40.8Very low66Low83 Ų8388.6 Ų88.686%0.85653%0.526SS*.  trans-53103.7176.800000109.7T5T5-G7 PolarHBondContact O-N 2.74Å
8G49.8Very low67.8Low68 Ų6884.1 Ų84.170%0.70150%0.499SS*.PPolyproline II helixtrans-73.9128.6-174.900000110.2A6 K10A6-G8 PolarHBondContact O-N 3.04Å; G8-K10 PolarHBondContact O-N 3.34Å
9T63.1Low69.4Low132 Ų13281.6 Ų81.681%0.8149%0.493SS*.PPolyproline II helixtrans-51.2135.7157.343.40000108.4K11T9-K11 PolarHBondContact O-N 2.74Å
10K81.8Confident70.8Confident169 Ų16981 Ų8174%0.73549%0.486SS*.PPolyproline II helixtrans-52.6126.8176.8-75.2-173.2175.7-174.10109G8G8-K10 PolarHBondContact O-N 3.34Å
11K92.3Very high72.1Confident32 Ų3277.2 Ų77.214%0.13946%0.464CS..PPolyproline II helixtrans-65.7138.2178.8-71.3-169-179.5-172.70110.3T9 D132 I133 K291 N294T9-K11 PolarHBondContact O-N 2.74Å; K11-D132 WeakPolarHBondContact CA-OD2 3.46Å; K11-D132 HydrophobicContact CB-CB 3.89Å; K11-D132 HydrophobicContact CD-CB 4.2Å; K11-D132 HydrophobicContact CG-CB 4.12Å; K11-I133 HydrophobicContact CB-CD1 4.31Å; K11-I133 HydrophobicContact CD-CD1 3.91Å; K11-I133 HydrophobicContact CD-CG1 4.17Å; K11-K291 HydrophobicContact CD-CG 4.26Å; K11-K291 PolarHBondContact NZ-O 3.38Å; K11-N294 WeakPolarHBondContact CE-OD1 3.31Å; K11-N294 PolarHBondContact NZ-OD1 3.27Å
12K97.6Very high75.2Confident83 Ų8366.7 Ų66.736%0.36141%0.414SS..PPolyproline II helixtrans-77131173-173.5172174.3-174.50109.5E54 Q130 T131 D132 I133K12-E54 WeakPolarHBondContact CE-OE1 3.33Å; K12-E54 WeakPolarHBondContact CE-OE2 3.4Å; K12-E54 VanDerWaalsContact NZ-CD 3.27Å; K12-E54 IonicContact NZ-OE1 3.87Å; K12-E54 PolarHBondContact NZ-OE1 3.21Å; K12-E54 IonicContact NZ-OE2 3.8Å; K12-E54 PolarHBondContact NZ-OE2 3Å; K12-E54 VanDerWaalsContact NZ-OE2 3.13Å; K12-Q130 VanDerWaalsContact CD-O 3.29Å; K12-Q130 WeakPolarHBondContact CD-O 3.19Å; K12-Q130 WeakPolarHBondContact CE-O 3.08Å; K12-Q130 PolarHBondContact NZ-O 3.17Å; K12-T131 PolarHBondContact O-OG1 3.38Å; K12-T131 VanDerWaalsContact O-OG1 3.04Å; K12-D132 PolarHBondContact N-OD2 3.24Å; K12-D132 PolarHBondContact O-N 2.88Å; K12-D132 VanDerWaalsContact O-N 3.08Å; K12-I133 PolarHBondContact O-N 3.38Å
13V98.6Very high78.5Confident3 Ų366.6 Ų66.62%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-119.9126.3-177.7-174.80000109.4M53 E54 I133 V135 L322V13-M53 HydrophobicContact CB-CB 4.11Å; V13-M53 HydrophobicContact CG1-CB 4.2Å; V13-M53 WeakPolarHBondContact O-CA 3.21Å; V13-M53 WeakPolarHBondContact O-CB 3.41Å; V13-E54 PolarHBondContact O-N 2.95Å; V13-I133 WeakPolarHBondContact CA-O 3.39Å; V13-I133 HydrophobicContact CG1-CB 4.47Å; V13-I133 HydrophobicContact CG1-CG2 4.45Å; V13-I133 HydrophobicContact CG2-CB 4.2Å; V13-I133 HydrophobicContact CG2-CD1 4.39Å; V13-V135 HydrophobicContact CG1-CG2 4Å; V13-L322 HydrophobicContact CB-CD2 3.84Å; V13-L322 HydrophobicContact CG1-CD2 4.4Å; V13-L322 HydrophobicContact CG2-CD2 3.65Å; V13-L322 HydrophobicContact CG2-CG 4.31Å
14C98.7Very high81.5Confident0 Ų058 Ų580%037%0.365CS..EExtended strand (participates in β ladder)trans-105.5140.1166.7-65.30000109.4Y16 E54 Y56 K125 T131 I133 A134 V135C14-Y16 HydrophobicContact CB-CE2 4.19Å; C14-E54 CarbonylContact C-O 3.59Å; C14-E54 WeakPolarHBondContact CA-O 3.32Å; C14-E54 PolarHBondContact SG-OE2 2.81Å; C14-E54 VanDerWaalsContact SG-OE2 3.36Å; C14-Y56 HydrophobicContact CB-CD2 4.19Å; C14-Y56 HydrophobicContact CB-CE2 4.23Å; C14-K125 HydrophobicContact CB-CD 4.49Å; C14-T131 HydrophobicContact CB-CG2 4.41Å; C14-T131 PolarHBondContact N-OG1 3.44Å; C14-T131 VanDerWaalsContact SG-CB 3.5Å; C14-T131 PolarHBondContact SG-OG1 3.39Å; C14-I133 PolarHBondContact N-O 3.24Å; C14-A134 CarbonylContact O-C 3.55Å; C14-A134 WeakPolarHBondContact O-CA 3.41Å; C14-V135 PolarHBondContact O-N 3.27Å
15Y98.8Very high84.6Confident1 Ų158 Ų580%0.00435%0.352CS..EExtended strand (participates in β ladder)trans-129.1129.8-179.1167.4-106.5000110.3Y17 H41 L44 M53 E54 V55 Y56 V135 W137Y15-Y17 HydrophobicContact CE1-CG 4.38Å; Y15-H41 AromaticContact CE1-CE1 3.93Å; Y15-H41 AromaticContact CE1-ND1 3.42Å; Y15-H41 WeakPolarHBondContact CE1-ND1 3.2Å; Y15-H41 AromaticContact CZ-ND1 3.78Å; Y15-H41 PolarHBondContact OH-ND1 3.36Å; Y15-L44 HydrophobicContact CE1-CD1 4.39Å; Y15-L44 HydrophobicContact CE2-CD1 4.11Å; Y15-M53 VanDerWaalsContact CB-SD 3.51Å; Y15-M53 HydrophobicContact CD1-CE 3.53Å; Y15-M53 HydrophobicContact CD1-SD 4.34Å; Y15-M53 HydrophobicContact CD2-CE 4.49Å; Y15-M53 HydrophobicContact CE1-CE 4.18Å; Y15-M53 HydrophobicContact CG-CE 3.7Å; Y15-M53 HydrophobicContact CG-SD 3.96Å; Y15-E54 PolarHBondContact N-O 2.89Å; Y15-V55 HydrophobicContact CD1-CG1 3.97Å; Y15-V55 HydrophobicContact CD1-CG2 4.15Å; Y15-V55 HydrophobicContact CE1-CG1 4.41Å; Y15-V55 CarbonylContact O-C 3.39Å; Y15-V55 WeakPolarHBondContact O-CA 3.44Å; Y15-Y56 PolarHBondContact O-N 3.26Å; Y15-V135 WeakPolarHBondContact CA-O 3.44Å; Y15-V135 HydrophobicContact CD2-CB 4.05Å; Y15-V135 HydrophobicContact CD2-CG1 3.94Å; Y15-V135 HydrophobicContact CE2-CG1 4.49Å; Y15-W137 AromaticContact CE2-CD1 3.54Å; Y15-W137 HydrophobicContact CE2-CG 4.4Å
16Y98.8Very high87.5Confident11 Ų1151.4 Ų51.44%0.04331%0.31CS..EExtended strand (participates in β ladder)trans-106.9128-176.2-66.5-92.2000111.3C14 Y56 P58 A121 G122 K125 A134 V135C14-Y16 HydrophobicContact CB-CE2 4.19Å; Y16-Y56 WeakPolarHBondContact CA-O 3.34Å; Y16-Y56 HydrophobicContact CE1-CD2 4.46Å; Y16-Y56 HydrophobicContact CE1-CG 4.21Å; Y16-P58 HydrophobicContact CD1-CB 4.46Å; Y16-A121 HydrophobicContact CD1-CB 4.17Å; Y16-A121 HydrophobicContact CE1-CB 3.5Å; Y16-A121 PolarHBondContact OH-O 3.3Å; Y16-G122 VanDerWaalsContact CE2-CA 3.49Å; Y16-K125 WeakPolarHBondContact OH-CG 3.25Å; Y16-A134 HydrophobicContact CE2-CB 4.33Å; Y16-V135 PolarHBondContact N-O 3.35Å
17Y98.8Very high90.3Very high33 Ų3348.3 Ų48.313%0.12929%0.287CS..  trans-154.4137.1178.7175.3-101.5000111.9Y15 I21 I37 H41 Y56 R57 P58Y15-Y17 HydrophobicContact CE1-CG 4.38Å; Y17-I21 HydrophobicContact CD2-CG2 4.22Å; Y17-I21 HydrophobicContact CE2-CG2 3.79Å; Y17-I37 HydrophobicContact CD2-CG2 4.14Å; Y17-I37 HydrophobicContact CE2-CG2 4.19Å; Y17-H41 AromaticContact CD1-CD2 3.82Å; Y17-H41 AromaticContact CD1-CE1 3.31Å; Y17-H41 WeakPolarHBondContact CD1-CE1 3.25Å; Y17-H41 AromaticContact CD1-CG 3.68Å; Y17-H41 AromaticContact CD1-ND1 3.37Å; Y17-H41 WeakPolarHBondContact CD1-ND1 3.49Å; Y17-H41 AromaticContact CD1-NE2 3.61Å; Y17-H41 HydrophobicContact CD2-CB 3.93Å; Y17-H41 AromaticContact CD2-CG 3.89Å; Y17-H41 AromaticContact CD2-ND1 3.81Å; Y17-H41 HydrophobicContact CE1-CB 4.26Å; Y17-H41 AromaticContact CE1-CD2 3.41Å; Y17-H41 VanDerWaalsContact CE1-CD2 3.41Å; Y17-H41 WeakPolarHBondContact CE1-CD2 3.38Å; Y17-H41 AromaticContact CE1-CE1 3.73Å; Y17-H41 AromaticContact CE1-CG 3.55Å; Y17-H41 AromaticContact CE1-ND1 3.75Å; Y17-H41 AromaticContact CE1-NE2 3.54Å; Y17-H41 HydrophobicContact CE2-CB 3.61Å; Y17-H41 AromaticContact CE2-CG 3.77Å; Y17-H41 HydrophobicContact CG-CB 4.37Å; Y17-H41 AromaticContact CG-CE1 3.77Å; Y17-H41 AromaticContact CG-CG 3.84Å; Y17-H41 AromaticContact CG-ND1 3.39Å; Y17-H41 AromaticContact CZ-CD2 3.71Å; Y17-H41 AromaticContact CZ-CG 3.59Å; Y17-Y56 PolarHBondContact N-O 2.99Å; Y17-R57 WeakPolarHBondContact O-CA 3.13Å; Y17-P58 VanDerWaalsContact C-CD 3.47Å; Y17-P58 WeakPolarHBondContact O-CD 3.46Å
18D98.6Very high92.9Very high8 Ų853.3 Ų53.34%0.04329%0.289CS..  trans-117.6133.5168.2-169.7-59.1000109D20 I21 R57 P58 L114D18-D20 PolarHBondContact O-N 3.38Å; D18-D20 WeakPolarHBondContact OD1-CB 3.41Å; D18-D20 PolarHBondContact OD1-N 3.29Å; D18-I21 WeakPolarHBondContact O-CB 3.15Å; D18-I21 WeakPolarHBondContact O-CG2 3.26Å; D18-I21 PolarHBondContact O-N 3.02Å; D18-I21 VanDerWaalsContact O-N 3.17Å; D18-R57 HydrophobicContact CB-CG 4.42Å; D18-R57 IonicContact OD1-CZ 2.71Å; D18-R57 IonicContact OD1-NE 3.66Å; D18-R57 IonicContact OD1-NH2 2.92Å; D18-R57 PolarHBondContact OD1-NH2 2.93Å; D18-R57 IonicContact OD2-CZ 3.46Å; D18-R57 VanDerWaalsContact OD2-CZ 3.27Å; D18-R57 IonicContact OD2-NE 3.78Å; D18-R57 PolarHBondContact OD2-NE 3.38Å; D18-R57 IonicContact OD2-NH2 3.66Å; D18-R57 PolarHBondContact OD2-NH2 3.28Å; D18-P58 HydrophobicContact CB-CG 4.07Å; D18-L114 HydrophobicContact CB-CD1 4.1Å; D18-L114 HydrophobicContact CB-CD2 3.87Å; D18-L114 HydrophobicContact CB-CG 4.48Å; D18-L114 WeakPolarHBondContact OD2-CD2 3.38Å
19G97.4Very high95.1Very high37 Ų3753.3 Ų53.338%0.38129%0.288SS..G310 helixtrans-59-26.9-17900000114.5I21G19-I21 VanDerWaalsContact C-N 3.31Å; G19-I21 PolarHBondContact O-N 2.97Å
20D97.6Very high96.7Very high69 Ų6948 Ų4837%0.36925%0.254SS..G310 helixtrans-74.8-21.7-178.6-67.8-33000112.6D18 G22 N23 Y24 R57 L114D18-D20 PolarHBondContact O-N 3.38Å; D18-D20 WeakPolarHBondContact OD1-CB 3.41Å; D18-D20 PolarHBondContact OD1-N 3.29Å; D20-G22 PolarHBondContact O-N 3.45Å; D20-G22 VanDerWaalsContact O-N 3.07Å; D20-N23 WeakPolarHBondContact O-CB 3.4Å; D20-N23 PolarHBondContact O-N 3.35Å; D20-Y24 HydrophobicContact CB-CE2 4.27Å; D20-Y24 WeakPolarHBondContact O-CD2 3.44Å; D20-Y24 WeakPolarHBondContact O-CE2 3.5Å; D20-R57 IonicContact OD2-NH2 3.96Å; D20-L114 HydrophobicContact CB-CD1 4.42Å
21I97.9Very high97.5Very high2 Ų241.1 Ų41.11%0.0123%0.226CC..G310 helixtrans-58.2-33.1-172.8-159.967.3000112.7Y17 D18 G19 N23 Y24 P34 I37 F111 L114 A138Y17-I21 HydrophobicContact CD2-CG2 4.22Å; Y17-I21 HydrophobicContact CE2-CG2 3.79Å; D18-I21 WeakPolarHBondContact O-CB 3.15Å; D18-I21 WeakPolarHBondContact O-CG2 3.26Å; D18-I21 PolarHBondContact O-N 3.02Å; D18-I21 VanDerWaalsContact O-N 3.17Å; G19-I21 VanDerWaalsContact C-N 3.31Å; G19-I21 PolarHBondContact O-N 2.97Å; I21-N23 VanDerWaalsContact C-N 3.26Å; I21-N23 PolarHBondContact O-N 3.31Å; I21-Y24 HydrophobicContact CD1-CD2 4.37Å; I21-P34 WeakPolarHBondContact O-CB 3.35Å; I21-I37 HydrophobicContact CG1-CD1 3.78Å; I21-I37 HydrophobicContact CG2-CB 4.07Å; I21-I37 HydrophobicContact CG2-CD1 4.43Å; I21-I37 HydrophobicContact CG2-CG2 3.73Å; I21-F111 HydrophobicContact CD1-CD2 3.67Å; I21-F111 HydrophobicContact CD1-CE2 3.94Å; I21-L114 HydrophobicContact CD1-CB 3.94Å; I21-L114 HydrophobicContact CD1-CD1 4.14Å; I21-A138 HydrophobicContact CD1-CB 4.2Å; I21-A138 HydrophobicContact CG1-CB 3.89Å
22G96.9Very high97.8Very high6 Ų640.3 Ų40.36%0.06222%0.224CC..G310 helixtrans-76.1-9.9-179.700000114.8D20D20-G22 PolarHBondContact O-N 3.45Å; D20-G22 VanDerWaalsContact O-N 3.07Å
23N98Very high97.8Very high97 Ų9739.2 Ų39.252%0.51922%0.219SC..G310 helixtrans-94.3-21.1-176.5-64.2-33.2000113D20 I21 R38D20-N23 WeakPolarHBondContact O-CB 3.4Å; D20-N23 PolarHBondContact O-N 3.35Å; I21-N23 VanDerWaalsContact C-N 3.26Å; I21-N23 PolarHBondContact O-N 3.31Å; N23-R38 PolarHBondContact OD1-NH1 3.12Å
24Y98.4Very high97.8Very high23 Ų2339.2 Ų39.29%0.0922%0.219CC..  trans-65.8137.7176.3-61-75000111.4D20 I21 P34 F105 G107 E110 F111 L114D20-Y24 HydrophobicContact CB-CE2 4.27Å; D20-Y24 WeakPolarHBondContact O-CD2 3.44Å; D20-Y24 WeakPolarHBondContact O-CE2 3.5Å; I21-Y24 HydrophobicContact CD1-CD2 4.37Å; Y24-P34 WeakPolarHBondContact O-CD 3.24Å; Y24-P34 WeakPolarHBondContact O-CG 3.25Å; Y24-F105 HydrophobicContact CD1-CE2 4.48Å; Y24-G107 VanDerWaalsContact CE1-O 3.31Å; Y24-G107 WeakPolarHBondContact CE1-O 3.39Å; Y24-E110 HydrophobicContact CE1-CB 4.03Å; Y24-E110 WeakPolarHBondContact OH-CB 3.42Å; Y24-E110 PolarHBondContact OH-OE2 3.36Å; Y24-F111 HydrophobicContact CD1-CB 4.12Å; Y24-F111 HydrophobicContact CD2-CB 4.02Å; Y24-F111 HydrophobicContact CD2-CD2 4.07Å; Y24-F111 HydrophobicContact CE1-CB 4.48Å; Y24-F111 HydrophobicContact CE2-CB 4.4Å; Y24-F111 HydrophobicContact CG-CB 3.88Å; Y24-F111 HydrophobicContact CG-CD2 4.25Å; Y24-L114 HydrophobicContact CE2-CD1 3.75Å
25Y98.2Very high97.8Very high130 Ų13040.8 Ų40.851%0.5123%0.226SC..  trans-132.8112.6-170.6-177.8-112.9000111.3G27 Q28 F105Y25-G27 VanDerWaalsContact CE1-CA 3.42Å; Y25-G27 VanDerWaalsContact CZ-O 3.28Å; Y25-G27 PolarHBondContact O-N 3.28Å; Y25-G27 PolarHBondContact OH-O 3.28Å; Y25-Q28 VanDerWaalsContact OH-CA 3.28Å; Y25-Q28 WeakPolarHBondContact OH-CA 3.4Å; Y25-Q28 PolarHBondContact OH-N 3.34Å; Y25-F105 VanDerWaalsContact O-CB 3.25Å; Y25-F105 WeakPolarHBondContact O-CB 3.49Å; Y25-F105 WeakPolarHBondContact O-CG 3.15Å
26Y97.6Very high97.8Very high5 Ų541.1 Ų41.12%0.0223%0.227CC..  trans-65.3-19.8-177.8-86.1-120.2000113.8H30 M32 P34 P103 F105 F111 F152 Y154Y26-H30 WeakPolarHBondContact CB-ND1 3.4Å; Y26-H30 AromaticContact CD1-CE1 3.38Å; Y26-H30 WeakPolarHBondContact CD1-CE1 3.34Å; Y26-H30 AromaticContact CD1-ND1 3.61Å; Y26-H30 AromaticContact CD1-NE2 3.9Å; Y26-H30 AromaticContact CG-ND1 3.82Å; Y26-M32 HydrophobicContact CD1-CB 3.98Å; Y26-M32 HydrophobicContact CD1-CG 4.13Å; Y26-M32 HydrophobicContact CD2-CB 4.36Å; Y26-M32 HydrophobicContact CD2-CG 3.91Å; Y26-M32 HydrophobicContact CE1-CB 4.04Å; Y26-M32 HydrophobicContact CE1-CG 3.81Å; Y26-M32 HydrophobicContact CE2-CB 4.43Å; Y26-M32 HydrophobicContact CE2-CG 3.59Å; Y26-M32 HydrophobicContact CG-CB 4.13Å; Y26-M32 HydrophobicContact CG-CG 4.16Å; Y26-P34 HydrophobicContact CD2-CG 3.9Å; Y26-P34 HydrophobicContact CE2-CG 3.79Å; Y26-P103 HydrophobicContact CD1-CG 4.09Å; Y26-P103 WeakPolarHBondContact O-CG 3.34Å; Y26-F105 HydrophobicContact CD1-CE1 4.08Å; Y26-F105 HydrophobicContact CD2-CD1 4.47Å; Y26-F105 AromaticContact CD2-CE1 3.8Å; Y26-F105 HydrophobicContact CD2-CE1 3.8Å; Y26-F105 AromaticContact CD2-CZ 3.94Å; Y26-F105 HydrophobicContact CD2-CZ 3.94Å; Y26-F105 HydrophobicContact CE1-CE1 4.17Å; Y26-F105 AromaticContact CE2-CE1 3.88Å; Y26-F105 HydrophobicContact CE2-CE1 3.88Å; Y26-F105 AromaticContact CE2-CZ 3.8Å; Y26-F105 HydrophobicContact CE2-CZ 3.8Å; Y26-F105 HydrophobicContact CG-CD1 4.3Å; Y26-F105 AromaticContact CG-CE1 3.91Å; Y26-F105 HydrophobicContact CG-CE1 3.91Å; Y26-F111 HydrophobicContact CE2-CE1 4.1Å; Y26-F111 HydrophobicContact CE2-CE2 4.44Å; Y26-F111 HydrophobicContact CE2-CZ 4.03Å; Y26-F111 WeakPolarHBondContact OH-CE1 3.43Å; Y26-F111 WeakPolarHBondContact OH-CZ 3.38Å; Y26-F152 HydrophobicContact CE1-CB 4.01Å; Y26-F152 PolarHBondContact OH-O 3.36Å; Y26-Y154 AromaticContact CE1-CE2 3.8Å; Y26-Y154 HydrophobicContact CE1-CE2 3.8Å; Y26-Y154 AromaticContact CZ-CE2 3.91Å
27G96.1Very high97.8Very high23 Ų2340.9 Ų40.924%0.23723%0.227CC..  trans128.2169179.900000113.9Y25 G29 H30Y25-G27 VanDerWaalsContact CE1-CA 3.42Å; Y25-G27 VanDerWaalsContact CZ-O 3.28Å; Y25-G27 PolarHBondContact O-N 3.28Å; Y25-G27 PolarHBondContact OH-O 3.28Å; G27-G29 PolarHBondContact O-N 2.88Å; G27-H30 WeakPolarHBondContact O-CB 3.32Å; G27-H30 PolarHBondContact O-N 2.78Å
28Q96.3Very high97.8Very high188 Ų18842.5 Ų42.588%0.87923%0.232SC*.THydrogen-bonded Turntrans-64132.9-178.6-170177.210.400111.3Y25 H30Y25-Q28 VanDerWaalsContact OH-CA 3.28Å; Y25-Q28 WeakPolarHBondContact OH-CA 3.4Å; Y25-Q28 PolarHBondContact OH-N 3.34Å; Q28-H30 PolarHBondContact O-N 3.08Å; Q28-H30 VanDerWaalsContact O-N 3.16Å
29G95.4Very high97.8Very high67 Ų6742.1 Ų42.169%0.69123%0.23SC*.THydrogen-bonded Turntrans78.4-15.9-179.800000114.9G27G27-G29 PolarHBondContact O-N 2.88Å
30H98.1Very high97.9Very high22 Ų2240.3 Ų40.310%0.10221%0.212CC..  trans-64.6135.5-176.7-161.3-82.2000112.1Y26 G27 Q28 M32 K33 D101 F152Y26-H30 WeakPolarHBondContact CB-ND1 3.4Å; Y26-H30 AromaticContact CD1-CE1 3.38Å; Y26-H30 WeakPolarHBondContact CD1-CE1 3.34Å; Y26-H30 AromaticContact CD1-ND1 3.61Å; Y26-H30 AromaticContact CD1-NE2 3.9Å; Y26-H30 AromaticContact CG-ND1 3.82Å; G27-H30 WeakPolarHBondContact O-CB 3.32Å; G27-H30 PolarHBondContact O-N 2.78Å; Q28-H30 PolarHBondContact O-N 3.08Å; Q28-H30 VanDerWaalsContact O-N 3.16Å; H30-M32 WeakPolarHBondContact ND1-CB 3.26Å; H30-M32 PolarHBondContact ND1-N 2.85Å; H30-M32 VanDerWaalsContact ND1-N 3.16Å; H30-K33 PolarHBondContact O-NZ 3.04Å; H30-D101 PolarHBondContact NE2-O 2.79Å; H30-D101 VanDerWaalsContact NE2-O 3.11Å; H30-F152 AromaticContact CE1-CD1 3.31Å; H30-F152 WeakPolarHBondContact CE1-CD1 3.46Å; H30-F152 AromaticContact CE1-CE1 3.55Å; H30-F152 AromaticContact CE1-CG 3.83Å; H30-F152 AromaticContact NE2-CD1 3.4Å; H30-F152 WeakPolarHBondContact NE2-CD1 3.2Å; H30-F152 AromaticContact NE2-CE1 3.46Å; H30-F152 WeakPolarHBondContact NE2-CE1 3.23Å
31P97.4Very high97.9Very high23 Ų2338.4 Ų38.415%0.14920%0.201CC..SBendtrans-75.1-35.3-175.729-35.5000113.1K33 F152 L273 Y305P31-K33 PolarHBondContact O-N 3.09Å; P31-F152 HydrophobicContact CG-CE1 4.39Å; P31-F152 HydrophobicContact CG-CE2 4.05Å; P31-F152 HydrophobicContact CG-CZ 3.7Å; P31-L273 HydrophobicContact CB-CD1 4.08Å; P31-L273 HydrophobicContact CB-CG 4.47Å; P31-L273 HydrophobicContact CG-CD1 4.02Å; P31-Y305 HydrophobicContact CB-CD1 3.88Å; P31-Y305 HydrophobicContact CB-CG 4.41Å
32M98Very high98Very high16 Ų1639.1 Ų39.18%0.07921%0.205CC..  trans-65.3121.4174.7-179.255.475.200110.4Y26 H30 R36 F152 Y305Y26-M32 HydrophobicContact CD1-CB 3.98Å; Y26-M32 HydrophobicContact CD1-CG 4.13Å; Y26-M32 HydrophobicContact CD2-CB 4.36Å; Y26-M32 HydrophobicContact CD2-CG 3.91Å; Y26-M32 HydrophobicContact CE1-CB 4.04Å; Y26-M32 HydrophobicContact CE1-CG 3.81Å; Y26-M32 HydrophobicContact CE2-CB 4.43Å; Y26-M32 HydrophobicContact CE2-CG 3.59Å; Y26-M32 HydrophobicContact CG-CB 4.13Å; Y26-M32 HydrophobicContact CG-CG 4.16Å; H30-M32 WeakPolarHBondContact ND1-CB 3.26Å; H30-M32 PolarHBondContact ND1-N 2.85Å; H30-M32 VanDerWaalsContact ND1-N 3.16Å; M32-R36 PolarHBondContact SD-NH2 2.94Å; M32-F152 HydrophobicContact CB-CB 4.36Å; M32-F152 HydrophobicContact CB-CD2 4.32Å; M32-F152 HydrophobicContact CB-CG 4.3Å; M32-F152 HydrophobicContact CE-CB 4.26Å; M32-F152 HydrophobicContact CE-CD2 4.28Å; M32-Y305 HydrophobicContact CE-CE1 4.17Å
33K98.5Very high98Very high60 Ų6038.8 Ų38.826%0.26120%0.202SC..  trans-130.396-179.3-66.2-174.8-170.1-51.30109.9H30 P31 H35 R36 I307H30-K33 PolarHBondContact O-NZ 3.04Å; P31-K33 PolarHBondContact O-N 3.09Å; K33-H35 PolarHBondContact O-N 2.69Å; K33-R36 WeakPolarHBondContact O-CD 3.2Å; K33-R36 WeakPolarHBondContact O-CG 3.46Å; K33-R36 PolarHBondContact O-N 3.27Å; K33-I307 HydrophobicContact CB-CG2 4Å; K33-I307 HydrophobicContact CD-CD1 4.43Å; K33-I307 HydrophobicContact CD-CG2 4.21Å
34P98.4Very high98.1Very high3 Ų334.2 Ų34.22%0.01918%0.177CC..THydrogen-bonded Turntrans-52.7-26.6176.9-3037.9000114I21 Y24 Y26 R36 I37 F111I21-P34 WeakPolarHBondContact O-CB 3.35Å; Y24-P34 WeakPolarHBondContact O-CD 3.24Å; Y24-P34 WeakPolarHBondContact O-CG 3.25Å; Y26-P34 HydrophobicContact CD2-CG 3.9Å; Y26-P34 HydrophobicContact CE2-CG 3.79Å; P34-R36 PolarHBondContact O-N 3.25Å; P34-I37 WeakPolarHBondContact O-CB 3.31Å; P34-I37 PolarHBondContact O-N 3.15Å; P34-F111 HydrophobicContact CB-CE2 4.07Å; P34-F111 HydrophobicContact CG-CD2 4.29Å; P34-F111 HydrophobicContact CG-CE2 3.8Å; P34-F111 HydrophobicContact CG-CZ 4.49Å
35H98.6Very high98.1Very high32 Ų3236 Ų3615%0.14819%0.188CC..Hα-helixtrans-47.7-29.6171.6-172.652.3000114.9K33 I37 R38 M39 Y335K33-H35 PolarHBondContact O-N 2.69Å; H35-I37 PolarHBondContact O-N 2.82Å; H35-R38 PolarHBondContact CE1-NE 2.89Å; H35-R38 VanDerWaalsContact CE1-NE 3.28Å; H35-R38 PolarHBondContact CE1-NH2 3.06Å; H35-R38 PolarHBondContact ND1-NE 2.87Å; H35-R38 VanDerWaalsContact ND1-NE 3.19Å; H35-R38 PolarHBondContact ND1-NH2 3.15Å; H35-R38 WeakPolarHBondContact O-CB 3.46Å; H35-R38 PolarHBondContact O-N 3.21Å; H35-R38 VanDerWaalsContact O-N 3.08Å; H35-M39 PolarHBondContact O-N 3.35Å; H35-Y335 AromaticContact CE1-CE1 3.5Å; H35-Y335 VanDerWaalsContact CE1-CE1 3.5Å; H35-Y335 WeakPolarHBondContact CE1-CE1 3.28Å; H35-Y335 AromaticContact CE1-CZ 3.56Å; H35-Y335 AromaticContact NE2-CD1 3.94Å; H35-Y335 AromaticContact NE2-CE1 3.75Å
36R98.8Very high98.1Very high9 Ų933.2 Ų33.23%0.03418%0.182CC..Hα-helixtrans-57.4-31.8175.372.7-161.2171108.53.6113.1M32 K33 P34 M39 T40 G302 G303 I307 V310 W314M32-R36 PolarHBondContact SD-NH2 2.94Å; K33-R36 WeakPolarHBondContact O-CD 3.2Å; K33-R36 WeakPolarHBondContact O-CG 3.46Å; K33-R36 PolarHBondContact O-N 3.27Å; P34-R36 PolarHBondContact O-N 3.25Å; R36-M39 WeakPolarHBondContact O-CB 3.32Å; R36-M39 PolarHBondContact O-N 2.81Å; R36-T40 PolarHBondContact O-N 3.36Å; R36-T40 PolarHBondContact O-OG1 3.18Å; R36-T40 VanDerWaalsContact O-OG1 3.08Å; R36-G302 VanDerWaalsContact CZ-O 3.24Å; R36-G302 PolarHBondContact NH1-O 2.92Å; R36-G302 PolarHBondContact NH2-O 2.71Å; R36-G303 PolarHBondContact NH1-O 2.99Å; R36-G303 VanDerWaalsContact NH1-O 3.11Å; R36-I307 HydrophobicContact CB-CB 3.91Å; R36-I307 HydrophobicContact CB-CG2 3.88Å; R36-V310 HydrophobicContact CB-CB 4.41Å; R36-V310 HydrophobicContact CB-CG1 4.24Å; R36-V310 HydrophobicContact CG-CG1 4.07Å; R36-W314 HydrophobicContact CG-CZ3 4.29Å
37I98.8Very high98.1Very high5 Ų534.4 Ų34.43%0.02619%0.187CC..Hα-helixtrans-68.4-41.4177.5-58156.6000110Y17 I21 P34 H35 M39 T40 H41 A138 W314Y17-I37 HydrophobicContact CD2-CG2 4.14Å; Y17-I37 HydrophobicContact CE2-CG2 4.19Å; I21-I37 HydrophobicContact CG1-CD1 3.78Å; I21-I37 HydrophobicContact CG2-CB 4.07Å; I21-I37 HydrophobicContact CG2-CD1 4.43Å; I21-I37 HydrophobicContact CG2-CG2 3.73Å; P34-I37 WeakPolarHBondContact O-CB 3.31Å; P34-I37 PolarHBondContact O-N 3.15Å; H35-I37 PolarHBondContact O-N 2.82Å; I37-M39 VanDerWaalsContact C-N 3.35Å; I37-T40 WeakPolarHBondContact O-CB 3.41Å; I37-T40 PolarHBondContact O-N 3.23Å; I37-H41 PolarHBondContact O-N 2.9Å; I37-A138 HydrophobicContact CD1-CB 3.9Å; I37-A138 HydrophobicContact CG2-CB 4.48Å; I37-W314 HydrophobicContact CG1-CZ3 4.06Å
38R98.8Very high98.2Very high67 Ų6733.5 Ų33.525%0.25318%0.177SC..Hα-helixtrans-64.9-38.4174.3-176169.371.8-172.50.7111.9N23 H35 H41 N42 Y335N23-R38 PolarHBondContact OD1-NH1 3.12Å; H35-R38 PolarHBondContact CE1-NE 2.89Å; H35-R38 VanDerWaalsContact CE1-NE 3.28Å; H35-R38 PolarHBondContact CE1-NH2 3.06Å; H35-R38 PolarHBondContact ND1-NE 2.87Å; H35-R38 VanDerWaalsContact ND1-NE 3.19Å; H35-R38 PolarHBondContact ND1-NH2 3.15Å; H35-R38 WeakPolarHBondContact O-CB 3.46Å; H35-R38 PolarHBondContact O-N 3.21Å; H35-R38 VanDerWaalsContact O-N 3.08Å; R38-H41 PolarHBondContact O-N 2.79Å; R38-N42 WeakPolarHBondContact O-CB 3.48Å; R38-N42 PolarHBondContact O-N 2.87Å; R38-Y335 VanDerWaalsContact CD-OH 3.31Å; R38-Y335 WeakPolarHBondContact CD-OH 3.19Å; R38-Y335 HydrophobicContact CG-CE2 4.16Å; R38-Y335 PolarHBondContact NE-OH 3.1Å
39M98.8Very high98.3Very high0 Ų024.6 Ų24.60%014%0.136CC..Hα-helixtrans-62.1-45173.3-64.7176.97000111.8H35 R36 I37 N42 L43 I307 A311 Y335 Y338 F339H35-M39 PolarHBondContact O-N 3.35Å; R36-M39 WeakPolarHBondContact O-CB 3.32Å; R36-M39 PolarHBondContact O-N 2.81Å; I37-M39 VanDerWaalsContact C-N 3.35Å; M39-N42 PolarHBondContact O-N 3.33Å; M39-L43 PolarHBondContact O-N 2.71Å; M39-L43 VanDerWaalsContact O-N 3.08Å; M39-I307 HydrophobicContact SD-CB 4.28Å; M39-I307 HydrophobicContact SD-CD1 3.79Å; M39-I307 HydrophobicContact SD-CG1 4.03Å; M39-A311 HydrophobicContact CB-CB 3.77Å; M39-Y335 HydrophobicContact CB-CD2 4.22Å; M39-Y335 HydrophobicContact CG-CD2 3.82Å; M39-Y335 HydrophobicContact CG-CE2 4.29Å; M39-Y335 HydrophobicContact CG-CG 4.06Å; M39-Y338 HydrophobicContact CE-CD1 3.85Å; M39-Y338 HydrophobicContact CE-CG 3.9Å; M39-Y338 HydrophobicContact SD-CD1 4.4Å; M39-F339 HydrophobicContact CE-CE1 4.44Å; M39-F339 HydrophobicContact CE-CE2 4.37Å; M39-F339 HydrophobicContact CE-CZ 3.88Å
40T98.9Very high98.3Very high0 Ų025.4 Ų25.40%012%0.118CC..Hα-helixtrans-57.7-50.9173.2-560000110.8R36 I37 N42 L43 L44 A311 W314R36-T40 PolarHBondContact O-N 3.36Å; R36-T40 PolarHBondContact O-OG1 3.18Å; R36-T40 VanDerWaalsContact O-OG1 3.08Å; I37-T40 WeakPolarHBondContact O-CB 3.41Å; I37-T40 PolarHBondContact O-N 3.23Å; T40-N42 VanDerWaalsContact C-N 3.33Å; T40-N42 PolarHBondContact O-N 3.4Å; T40-L43 PolarHBondContact O-N 3.15Å; T40-L43 VanDerWaalsContact O-N 3.17Å; T40-L44 HydrophobicContact CG2-CD1 4.09Å; T40-L44 HydrophobicContact CG2-CG 4.32Å; T40-L44 VanDerWaalsContact O-CG 3.31Å; T40-L44 WeakPolarHBondContact O-CG 3.48Å; T40-L44 PolarHBondContact O-N 3.11Å; T40-A311 WeakPolarHBondContact OG1-CA 3.38Å; T40-W314 HydrophobicContact CG2-CB 3.62Å
41H98.8Very high98.3Very high28 Ų2833 Ų3313%0.1315%0.146CC..Hα-helixtrans-55.6-47.9-179.7-17476.7000112.1Y15 Y17 I37 R38 L43 L44 L45Y15-H41 AromaticContact CE1-CE1 3.93Å; Y15-H41 AromaticContact CE1-ND1 3.42Å; Y15-H41 WeakPolarHBondContact CE1-ND1 3.2Å; Y15-H41 AromaticContact CZ-ND1 3.78Å; Y15-H41 PolarHBondContact OH-ND1 3.36Å; Y17-H41 AromaticContact CD1-CD2 3.82Å; Y17-H41 AromaticContact CD1-CE1 3.31Å; Y17-H41 WeakPolarHBondContact CD1-CE1 3.25Å; Y17-H41 AromaticContact CD1-CG 3.68Å; Y17-H41 AromaticContact CD1-ND1 3.37Å; Y17-H41 WeakPolarHBondContact CD1-ND1 3.49Å; Y17-H41 AromaticContact CD1-NE2 3.61Å; Y17-H41 HydrophobicContact CD2-CB 3.93Å; Y17-H41 AromaticContact CD2-CG 3.89Å; Y17-H41 AromaticContact CD2-ND1 3.81Å; Y17-H41 HydrophobicContact CE1-CB 4.26Å; Y17-H41 AromaticContact CE1-CD2 3.41Å; Y17-H41 VanDerWaalsContact CE1-CD2 3.41Å; Y17-H41 WeakPolarHBondContact CE1-CD2 3.38Å; Y17-H41 AromaticContact CE1-CE1 3.73Å; Y17-H41 AromaticContact CE1-CG 3.55Å; Y17-H41 AromaticContact CE1-ND1 3.75Å; Y17-H41 AromaticContact CE1-NE2 3.54Å; Y17-H41 HydrophobicContact CE2-CB 3.61Å; Y17-H41 AromaticContact CE2-CG 3.77Å; Y17-H41 HydrophobicContact CG-CB 4.37Å; Y17-H41 AromaticContact CG-CE1 3.77Å; Y17-H41 AromaticContact CG-CG 3.84Å; Y17-H41 AromaticContact CG-ND1 3.39Å; Y17-H41 AromaticContact CZ-CD2 3.71Å; Y17-H41 AromaticContact CZ-CG 3.59Å; I37-H41 PolarHBondContact O-N 2.9Å; R38-H41 PolarHBondContact O-N 2.79Å; H41-L43 VanDerWaalsContact C-N 3.34Å; H41-L43 PolarHBondContact O-N 3.09Å; H41-L44 WeakPolarHBondContact O-CB 3.47Å; H41-L44 PolarHBondContact O-N 2.88Å; H41-L44 VanDerWaalsContact O-N 3.17Å; H41-L45 WeakPolarHBondContact O-CG 3.47Å; H41-L45 PolarHBondContact O-N 3.45Å
42N98.6Very high98.3Very high17 Ų1737.4 Ų37.49%0.09116%0.163CC..Hα-helixtrans-64.2-36.4-180-162.6-102.6000112.2R38 M39 T40 L45 N46 N333 D334 Y335R38-N42 WeakPolarHBondContact O-CB 3.48Å; R38-N42 PolarHBondContact O-N 2.87Å; M39-N42 PolarHBondContact O-N 3.33Å; T40-N42 VanDerWaalsContact C-N 3.33Å; T40-N42 PolarHBondContact O-N 3.4Å; N42-L45 PolarHBondContact O-N 3Å; N42-N46 PolarHBondContact O-N 3Å; N42-N46 VanDerWaalsContact O-N 3.11Å; N42-N46 PolarHBondContact O-ND2 2.94Å; N42-N46 PolarHBondContact OD1-ND2 2.93Å; N42-N333 VanDerWaalsContact OD1-CB 3.26Å; N42-N333 WeakPolarHBondContact OD1-CB 3.41Å; N42-D334 PolarHBondContact ND2-OD2 3.46Å; N42-D334 PolarHBondContact OD1-N 3.35Å; N42-Y335 HydrophobicContact CB-CD2 4.12Å; N42-Y335 HydrophobicContact CB-CE2 3.94Å
43L98.6Very high98.3Very high0 Ų037.6 Ų37.60%016%0.164CC..Hα-helixtrans-65.6-43.7171.6-78.7-178.6000112.4M39 T40 H41 L45 N46 Y47 A311 T315 L330 N333 F339M39-L43 PolarHBondContact O-N 2.71Å; M39-L43 VanDerWaalsContact O-N 3.08Å; T40-L43 PolarHBondContact O-N 3.15Å; T40-L43 VanDerWaalsContact O-N 3.17Å; H41-L43 VanDerWaalsContact C-N 3.34Å; H41-L43 PolarHBondContact O-N 3.09Å; L43-L45 VanDerWaalsContact C-N 3.27Å; L43-L45 PolarHBondContact O-N 3.28Å; L43-N46 PolarHBondContact O-N 2.87Å; L43-Y47 WeakPolarHBondContact O-CB 3.48Å; L43-Y47 WeakPolarHBondContact O-CD2 3.32Å; L43-Y47 PolarHBondContact O-N 2.97Å; L43-A311 HydrophobicContact CD1-CB 3.96Å; L43-T315 HydrophobicContact CB-CG2 4.07Å; L43-T315 WeakPolarHBondContact CB-OG1 3.39Å; L43-L330 HydrophobicContact CD1-CD2 4.42Å; L43-L330 HydrophobicContact CD2-CD2 4.02Å; L43-N333 HydrophobicContact CD2-CB 4.48Å; L43-N333 WeakPolarHBondContact CD2-ND2 3.45Å; L43-F339 HydrophobicContact CD1-CE1 3.98Å; L43-F339 HydrophobicContact CD1-CE2 4.38Å; L43-F339 HydrophobicContact CD1-CZ 3.61Å; L43-F339 HydrophobicContact CD2-CE2 4.24Å; L43-F339 HydrophobicContact CD2-CZ 4.28Å; L43-F339 HydrophobicContact CG-CE2 4.45Å; L43-F339 HydrophobicContact CG-CZ 4.08Å
44L98.6Very high98.3Very high1 Ų137.7 Ų37.71%0.00517%0.165CC..Hα-helixtrans-58.4-40.9176.9-66.4173.6000111.7Y15 T40 H41 G48 L49 M53 T315 T318Y15-L44 HydrophobicContact CE1-CD1 4.39Å; Y15-L44 HydrophobicContact CE2-CD1 4.11Å; T40-L44 HydrophobicContact CG2-CD1 4.09Å; T40-L44 HydrophobicContact CG2-CG 4.32Å; T40-L44 VanDerWaalsContact O-CG 3.31Å; T40-L44 WeakPolarHBondContact O-CG 3.48Å; T40-L44 PolarHBondContact O-N 3.11Å; H41-L44 WeakPolarHBondContact O-CB 3.47Å; H41-L44 PolarHBondContact O-N 2.88Å; H41-L44 VanDerWaalsContact O-N 3.17Å; L44-G48 PolarHBondContact O-N 3.2Å; L44-L49 HydrophobicContact CD2-CB 4.33Å; L44-L49 HydrophobicContact CD2-CD1 3.63Å; L44-L49 PolarHBondContact O-N 3.33Å; L44-M53 HydrophobicContact CD1-CE 4.24Å; L44-T315 HydrophobicContact CD2-CG2 4.14Å; L44-T318 HydrophobicContact CD1-CG2 4.37Å; L44-T318 HydrophobicContact CD2-CG2 3.67Å
45L98.3Very high98.3Very high61 Ų6140.8 Ų40.832%0.31918%0.184SC..Hα-helixtrans-60.7-51.8174.7-69.1179.4000111.3H41 N42 L43 Y47 G48 Y50H41-L45 WeakPolarHBondContact O-CG 3.47Å; H41-L45 PolarHBondContact O-N 3.45Å; N42-L45 PolarHBondContact O-N 3Å; L43-L45 VanDerWaalsContact C-N 3.27Å; L43-L45 PolarHBondContact O-N 3.28Å; L45-Y47 PolarHBondContact O-N 3.22Å; L45-G48 WeakPolarHBondContact O-CA 3.42Å; L45-G48 PolarHBondContact O-N 3.43Å; L45-Y50 HydrophobicContact CB-CD1 4.47Å; L45-Y50 HydrophobicContact CD2-CD1 3.79Å; L45-Y50 HydrophobicContact CD2-CD2 4.29Å; L45-Y50 HydrophobicContact CD2-CE1 4.39Å; L45-Y50 HydrophobicContact CD2-CG 3.69Å; L45-Y50 WeakPolarHBondContact O-CD1 3.44Å; L45-Y50 WeakPolarHBondContact O-CE1 3.23Å
46N98.4Very high98.2Very high70 Ų7041.5 Ų41.537%0.37419%0.186SC..Hα-helixtrans-72.8-26.5-174.9-75.6-67.9000113.6N42 L43 G48 P331 Y332 N333N42-N46 PolarHBondContact O-N 3Å; N42-N46 VanDerWaalsContact O-N 3.11Å; N42-N46 PolarHBondContact O-ND2 2.94Å; N42-N46 PolarHBondContact OD1-ND2 2.93Å; L43-N46 PolarHBondContact O-N 2.87Å; N46-G48 PolarHBondContact O-N 3.06Å; N46-P331 HydrophobicContact CB-CB 3.96Å; N46-P331 HydrophobicContact CB-CG 3.69Å; N46-Y332 WeakPolarHBondContact CB-O 3.1Å; N46-Y332 PolarHBondContact OD1-O 3.48Å; N46-Y332 VanDerWaalsContact OD1-O 3.11Å; N46-N333 HydrophobicContact CB-CB 4.29Å; N46-N333 WeakPolarHBondContact ND2-CB 3.41Å
47Y98.6Very high98.2Very high31 Ų3147.9 Ų47.912%0.12221%0.21CC..THydrogen-bonded Turntrans-74.1-12.1166.4-87.7-68.7000113L43 L45 L49 T315 I326 P327 E329 L330 P331 L345L43-Y47 WeakPolarHBondContact O-CB 3.48Å; L43-Y47 WeakPolarHBondContact O-CD2 3.32Å; L43-Y47 PolarHBondContact O-N 2.97Å; L45-Y47 PolarHBondContact O-N 3.22Å; Y47-L49 VanDerWaalsContact C-N 3.31Å; Y47-T315 HydrophobicContact CD2-CG2 3.6Å; Y47-T315 HydrophobicContact CE2-CG2 3.84Å; Y47-I326 HydrophobicContact CD1-CB 3.85Å; Y47-I326 HydrophobicContact CD1-CD1 4.38Å; Y47-I326 HydrophobicContact CD1-CG2 4.05Å; Y47-I326 HydrophobicContact CD2-CD1 4.43Å; Y47-I326 HydrophobicContact CE1-CB 3.89Å; Y47-I326 HydrophobicContact CE1-CD1 4.28Å; Y47-I326 HydrophobicContact CE1-CG1 4.46Å; Y47-I326 HydrophobicContact CE2-CD1 4.34Å; Y47-I326 HydrophobicContact CG-CD1 4.44Å; Y47-I326 HydrophobicContact CG-CG2 4.48Å; Y47-P327 HydrophobicContact CE1-CG 3.98Å; Y47-P327 WeakPolarHBondContact CE1-O 3.13Å; Y47-P327 PolarHBondContact OH-O 3.08Å; Y47-E329 PolarHBondContact OH-O 2.92Å; Y47-L330 HydrophobicContact CE2-CD2 3.98Å; Y47-P331 HydrophobicContact CD1-CG 4.16Å; Y47-P331 HydrophobicContact CD2-CG 3.86Å; Y47-P331 HydrophobicContact CE1-CG 4.31Å; Y47-P331 VanDerWaalsContact CE2-CD 3.4Å; Y47-P331 HydrophobicContact CE2-CG 4.03Å; Y47-P331 HydrophobicContact CG-CG 3.94Å; Y47-L345 HydrophobicContact CE2-CD1 4.32Å
48G98.1Very high98.1Very high4 Ų448.1 Ų48.14%0.04121%0.212CC..THydrogen-bonded Turntrans75.516.4-178.100000114.4L44 L45 N46 Y50 R51L44-G48 PolarHBondContact O-N 3.2Å; L45-G48 WeakPolarHBondContact O-CA 3.42Å; L45-G48 PolarHBondContact O-N 3.43Å; N46-G48 PolarHBondContact O-N 3.06Å; G48-Y50 VanDerWaalsContact C-N 3.31Å; G48-R51 PolarHBondContact O-N 3.12Å
49L97.9Very high97.9Very high1 Ų147.2 Ų47.21%0.00521%0.21CC..G310 helixtrans-69.9-29.1-179.3-67.7177.2000112.1L44 Y47 R51 K52 L322 T324 I326L44-L49 HydrophobicContact CD2-CB 4.33Å; L44-L49 HydrophobicContact CD2-CD1 3.63Å; L44-L49 PolarHBondContact O-N 3.33Å; Y47-L49 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 2.93Å; L49-R51 VanDerWaalsContact O-N 3.12Å; L49-K52 WeakPolarHBondContact O-CB 3.39Å; L49-K52 PolarHBondContact O-N 3.18Å; L49-L322 HydrophobicContact CB-CD1 4.03Å; L49-L322 HydrophobicContact CD2-CD1 4.04Å; L49-T324 HydrophobicContact CD2-CG2 3.74Å; L49-I326 HydrophobicContact CD1-CG2 4.34Å; L49-I326 HydrophobicContact CD2-CG2 3.85Å; L49-I326 HydrophobicContact CG-CG2 4.33Å
50Y96Very high97.9Very high83 Ų8351.1 Ų51.133%0.32523%0.227SC..G310 helixtrans-55.4-29.3175.978.3-84.2000113.4L45 G48 K52 M53L45-Y50 HydrophobicContact CB-CD1 4.47Å; L45-Y50 HydrophobicContact CD2-CD1 3.79Å; L45-Y50 HydrophobicContact CD2-CD2 4.29Å; L45-Y50 HydrophobicContact CD2-CE1 4.39Å; L45-Y50 HydrophobicContact CD2-CG 3.69Å; L45-Y50 WeakPolarHBondContact O-CD1 3.44Å; L45-Y50 WeakPolarHBondContact O-CE1 3.23Å; G48-Y50 VanDerWaalsContact C-N 3.31Å; Y50-K52 PolarHBondContact O-N 3.45Å; Y50-M53 PolarHBondContact O-N 2.66Å
51R96.8Very high97.9Very high182 Ų18251.2 Ų51.269%0.68723%0.228SC*.G310 helixtrans-70.9-7.6177.9-63.6-179.6-82.3-160-9113.8G48 L49G48-R51 PolarHBondContact O-N 3.12Å; L49-R51 PolarHBondContact O-N 2.93Å; L49-R51 VanDerWaalsContact O-N 3.12Å
52K97.8Very high97.8Very high116 Ų11652.8 Ų52.850%0.50424%0.24SC..G310 helixtrans-1162.5-174-59.6179.8175.1-179.70112.9L49 Y50 L322 T324L49-K52 WeakPolarHBondContact O-CB 3.39Å; L49-K52 PolarHBondContact O-N 3.18Å; Y50-K52 PolarHBondContact O-N 3.45Å; K52-L322 HydrophobicContact CB-CD1 4.23Å; K52-L322 HydrophobicContact CB-CD2 4.01Å; K52-L322 WeakPolarHBondContact O-CD2 3.33Å; K52-T324 HydrophobicContact CD-CG2 4.27Å; K52-T324 WeakPolarHBondContact CD-OG1 3.45Å; K52-T324 PolarHBondContact NZ-OG1 2.61Å; K52-T324 VanDerWaalsContact NZ-OG1 3.1Å
53M97.9Very high97.8Very high19 Ų1953 Ų539%0.09424%0.243CC..SBendtrans-137157.3178.655.3-169.8-172.400110.1V13 Y15 L44 Y50 V55 T318 L322V13-M53 HydrophobicContact CB-CB 4.11Å; V13-M53 HydrophobicContact CG1-CB 4.2Å; V13-M53 WeakPolarHBondContact O-CA 3.21Å; V13-M53 WeakPolarHBondContact O-CB 3.41Å; Y15-M53 VanDerWaalsContact CB-SD 3.51Å; Y15-M53 HydrophobicContact CD1-CE 3.53Å; Y15-M53 HydrophobicContact CD1-SD 4.34Å; Y15-M53 HydrophobicContact CD2-CE 4.49Å; Y15-M53 HydrophobicContact CE1-CE 4.18Å; Y15-M53 HydrophobicContact CG-CE 3.7Å; Y15-M53 HydrophobicContact CG-SD 3.96Å; L44-M53 HydrophobicContact CD1-CE 4.24Å; Y50-M53 PolarHBondContact O-N 2.66Å; M53-V55 HydrophobicContact CE-CG2 4.21Å; M53-V55 HydrophobicContact CG-CG2 4.19Å; M53-T318 HydrophobicContact CE-CG2 4.4Å; M53-T318 HydrophobicContact SD-CG2 3.87Å; M53-L322 HydrophobicContact CB-CD2 4.15Å; M53-L322 HydrophobicContact SD-CD1 4.35Å
54E98.3Very high97.7Very high62 Ų6259 Ų5929%0.2928%0.276SS..EExtended strand (participates in β ladder)trans-82.4120169.8-63.4-179.8168.900108.7K12 V13 C14 Y15 Y56 K125K12-E54 WeakPolarHBondContact CE-OE1 3.33Å; K12-E54 WeakPolarHBondContact CE-OE2 3.4Å; K12-E54 VanDerWaalsContact NZ-CD 3.27Å; K12-E54 IonicContact NZ-OE1 3.87Å; K12-E54 PolarHBondContact NZ-OE1 3.21Å; K12-E54 IonicContact NZ-OE2 3.8Å; K12-E54 PolarHBondContact NZ-OE2 3Å; K12-E54 VanDerWaalsContact NZ-OE2 3.13Å; V13-E54 PolarHBondContact O-N 2.95Å; C14-E54 CarbonylContact C-O 3.59Å; C14-E54 WeakPolarHBondContact CA-O 3.32Å; C14-E54 PolarHBondContact SG-OE2 2.81Å; C14-E54 VanDerWaalsContact SG-OE2 3.36Å; Y15-E54 PolarHBondContact N-O 2.89Å; E54-Y56 HydrophobicContact CB-CD2 4.19Å; E54-Y56 HydrophobicContact CB-CE2 3.4Å; E54-Y56 VanDerWaalsContact CB-CE2 3.4Å; E54-Y56 HydrophobicContact CG-CE2 4.43Å; E54-Y56 PolarHBondContact OE2-OH 3.31Å; E54-Y56 VanDerWaalsContact OE2-OH 3.1Å; E54-K125 IonicContact OE2-NZ 2.89Å; E54-K125 PolarHBondContact OE2-NZ 3.2Å
55V98.4Very high97.6Very high68 Ų6859.7 Ų59.741%0.41228%0.279SS..EExtended strand (participates in β ladder)trans-98122.6-179.7-177.70000109.1Y15 M53Y15-V55 HydrophobicContact CD1-CG1 3.97Å; Y15-V55 HydrophobicContact CD1-CG2 4.15Å; Y15-V55 HydrophobicContact CE1-CG1 4.41Å; Y15-V55 CarbonylContact O-C 3.39Å; Y15-V55 WeakPolarHBondContact O-CA 3.44Å; M53-V55 HydrophobicContact CE-CG2 4.21Å; M53-V55 HydrophobicContact CG-CG2 4.19Å
56Y98.4Very high97.6Very high48 Ų4856.8 Ų56.819%0.18826%0.264CS..EExtended strand (participates in β ladder)trans-118141.3-179.2-71-77000111.1C14 Y15 Y16 Y17 E54 K125C14-Y56 HydrophobicContact CB-CD2 4.19Å; C14-Y56 HydrophobicContact CB-CE2 4.23Å; Y15-Y56 PolarHBondContact O-N 3.26Å; Y16-Y56 WeakPolarHBondContact CA-O 3.34Å; Y16-Y56 HydrophobicContact CE1-CD2 4.46Å; Y16-Y56 HydrophobicContact CE1-CG 4.21Å; Y17-Y56 PolarHBondContact N-O 2.99Å; E54-Y56 HydrophobicContact CB-CD2 4.19Å; E54-Y56 HydrophobicContact CB-CE2 3.4Å; E54-Y56 VanDerWaalsContact CB-CE2 3.4Å; E54-Y56 HydrophobicContact CG-CE2 4.43Å; E54-Y56 PolarHBondContact OE2-OH 3.31Å; E54-Y56 VanDerWaalsContact OE2-OH 3.1Å; Y56-K125 HydrophobicContact CE2-CD 4.37Å; Y56-K125 VanDerWaalsContact CE2-NZ 3.28Å; Y56-K125 PolarHBondContact OH-NZ 3.5Å
57R98.1Very high97.6Very high142 Ų14255.3 Ų55.354%0.53626%0.257SS..PPolyproline II helixtrans-84.2122.4163.9-170176.5-179.3164.28.1108.9Y17 D18 D20Y17-R57 WeakPolarHBondContact O-CA 3.13Å; D18-R57 HydrophobicContact CB-CG 4.42Å; D18-R57 IonicContact OD1-CZ 2.71Å; D18-R57 IonicContact OD1-NE 3.66Å; D18-R57 IonicContact OD1-NH2 2.92Å; D18-R57 PolarHBondContact OD1-NH2 2.93Å; D18-R57 IonicContact OD2-CZ 3.46Å; D18-R57 VanDerWaalsContact OD2-CZ 3.27Å; D18-R57 IonicContact OD2-NE 3.78Å; D18-R57 PolarHBondContact OD2-NE 3.38Å; D18-R57 IonicContact OD2-NH2 3.66Å; D18-R57 PolarHBondContact OD2-NH2 3.28Å; D20-R57 IonicContact OD2-NH2 3.96Å
58P96.6Very high97.6Very high11 Ų1158.6 Ų58.67%0.07127%0.272CS..PPolyproline II helixtrans-68.7146.3178.929.8-35.1000110.9Y16 Y17 D18 L114Y16-P58 HydrophobicContact CD1-CB 4.46Å; Y17-P58 VanDerWaalsContact C-CD 3.47Å; Y17-P58 WeakPolarHBondContact O-CD 3.46Å; D18-P58 HydrophobicContact CB-CG 4.07Å; P58-L114 HydrophobicContact CG-CD2 4.46Å
59H95Very high97.6Very high48 Ų4859.5 Ų59.522%0.22228%0.275CS..PPolyproline II helixtrans-70.4154.8165.670.9-66.3000109.7A61 E65 G117 V391H59-A61 PolarHBondContact O-N 3.05Å; H59-E65 IonicContact CD2-OE2 2.93Å; H59-E65 IonicContact CE1-OE1 3.05Å; H59-E65 IonicContact NE2-OE1 3.55Å; H59-E65 PolarHBondContact NE2-OE1 3.43Å; H59-E65 IonicContact NE2-OE2 3.65Å; H59-E65 PolarHBondContact NE2-OE2 3.29Å; H59-G117 WeakPolarHBondContact O-CA 3.41Å; H59-V391 WeakPolarHBondContact CE1-CG2 3.29Å
60K98.3Very high97.7Very high81 Ų8159.7 Ų59.735%0.35228%0.275SS..  trans-71.5110.9169.6-73.7-176.1175.9-179.40108.3T62 E110 Q113 L114K60-T62 PolarHBondContact O-N 3.33Å; K60-E110 VanDerWaalsContact NZ-CD 3.28Å; K60-E110 IonicContact NZ-OE1 3.13Å; K60-E110 PolarHBondContact NZ-OE1 2.91Å; K60-E110 IonicContact NZ-OE2 3.17Å; K60-Q113 HydrophobicContact CB-CB 3.88Å; K60-Q113 HydrophobicContact CG-CB 4.23Å; K60-L114 HydrophobicContact CG-CD2 3.96Å
61A97.9Very high97.8Very high2 Ų256.7 Ų56.72%0.01727%0.266CS..  trans-53.7134.9177.500000111.1H59 M66 Q113 A116H59-A61 PolarHBondContact O-N 3.05Å; A61-M66 HydrophobicContact CB-CE 4.01Å; A61-Q113 WeakPolarHBondContact CB-O 3.46Å; A61-Q113 PolarHBondContact N-O 3.37Å; A61-Q113 VanDerWaalsContact O-CG 3.28Å; A61-Q113 WeakPolarHBondContact O-CG 3.37Å; A61-Q113 PolarHBondContact O-NE2 3.04Å; A61-A116 HydrophobicContact CB-CB 3.87Å
62T98.1Very high97.9Very high62 Ų6253.8 Ų53.838%0.3827%0.265SS..  trans-77.6161.2-179.261.60000111.2K60 D64 E65 M66K60-T62 PolarHBondContact O-N 3.33Å; T62-D64 PolarHBondContact O-N 2.86Å; T62-E65 WeakPolarHBondContact CB-OE2 3.32Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.34Å; T62-E65 PolarHBondContact N-OE2 2.86Å; T62-E65 PolarHBondContact O-N 3.31Å; T62-E65 WeakPolarHBondContact OG1-CG 3.5Å; T62-E65 PolarHBondContact OG1-N 3.03Å; T62-E65 PolarHBondContact OG1-OE2 3.3Å; T62-M66 WeakPolarHBondContact O-CG 3.33Å; T62-M66 PolarHBondContact O-N 2.92Å; T62-M66 VanDerWaalsContact O-N 3.13Å
63A97.8Very high97.9Very high20 Ų2051.1 Ų51.117%0.16526%0.256CS..Hα-helixtrans-58.7-38.5171.900000111.1E65 M66 T67 I75A63-E65 VanDerWaalsContact C-N 3.33Å; A63-E65 PolarHBondContact O-N 3.16Å; A63-M66 PolarHBondContact O-N 3.32Å; A63-M66 VanDerWaalsContact O-N 3.13Å; A63-T67 WeakPolarHBondContact O-CG2 3.33Å; A63-T67 PolarHBondContact O-N 2.86Å; A63-T67 PolarHBondContact O-OG1 3.44Å; A63-T67 VanDerWaalsContact O-OG1 3.04Å; A63-I75 HydrophobicContact CB-CG2 3.89Å
64D96.9Very high98Very high128 Ų12850.2 Ų50.268%0.68425%0.251SS*.Hα-helixtrans-63.7-37.6-179.9-60.5-13.1000112.1T62 T67T62-D64 PolarHBondContact O-N 2.86Å; D64-T67 WeakPolarHBondContact CA-OG1 3.47Å; D64-T67 PolarHBondContact O-OG1 3.13Å
65E96.1Very high98Very high15 Ų1547.3 Ų47.37%0.0724%0.238CC..Hα-helixtrans-65.3-45.6171.5-74.6165.298.900111.4H59 T62 A63 T67 K68 L160 A390H59-E65 IonicContact CD2-OE2 2.93Å; H59-E65 IonicContact CE1-OE1 3.05Å; H59-E65 IonicContact NE2-OE1 3.55Å; H59-E65 PolarHBondContact NE2-OE1 3.43Å; H59-E65 IonicContact NE2-OE2 3.65Å; H59-E65 PolarHBondContact NE2-OE2 3.29Å; T62-E65 WeakPolarHBondContact CB-OE2 3.32Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.34Å; T62-E65 PolarHBondContact N-OE2 2.86Å; T62-E65 PolarHBondContact O-N 3.31Å; T62-E65 WeakPolarHBondContact OG1-CG 3.5Å; T62-E65 PolarHBondContact OG1-N 3.03Å; T62-E65 PolarHBondContact OG1-OE2 3.3Å; A63-E65 VanDerWaalsContact C-N 3.33Å; A63-E65 PolarHBondContact O-N 3.16Å; E65-T67 PolarHBondContact O-N 3.31Å; E65-K68 VanDerWaalsContact O-CB 3.32Å; E65-K68 WeakPolarHBondContact O-CB 3.36Å; E65-K68 WeakPolarHBondContact O-CG 3.2Å; E65-K68 PolarHBondContact O-N 3.32Å; E65-L160 WeakPolarHBondContact O-CD2 3.28Å; E65-A390 HydrophobicContact CG-CB 4.33Å
66M98.6Very high98Very high0 Ų050.4 Ų50.40%025%0.246CC..Hα-helixtrans-66-36-178.8-65.5179.2-178.700112.9A61 T62 A63 K68 Y69 H70 I75 F109 C112 Q113 A116 V155 L160A61-M66 HydrophobicContact CB-CE 4.01Å; T62-M66 WeakPolarHBondContact O-CG 3.33Å; T62-M66 PolarHBondContact O-N 2.92Å; T62-M66 VanDerWaalsContact O-N 3.13Å; A63-M66 PolarHBondContact O-N 3.32Å; A63-M66 VanDerWaalsContact O-N 3.13Å; M66-K68 PolarHBondContact O-N 3.35Å; M66-Y69 PolarHBondContact O-N 3.37Å; M66-H70 PolarHBondContact O-CD2 2.97Å; M66-H70 PolarHBondContact O-N 3.23Å; M66-I75 HydrophobicContact CB-CD1 3.77Å; M66-I75 HydrophobicContact CB-CG1 3.96Å; M66-I75 HydrophobicContact CB-CG2 4.27Å; M66-I75 HydrophobicContact SD-CD1 4.18Å; M66-I75 HydrophobicContact SD-CG2 4.34Å; M66-F109 HydrophobicContact CE-CE2 4.46Å; M66-F109 HydrophobicContact SD-CE2 3.93Å; M66-F109 HydrophobicContact SD-CZ 4.16Å; M66-C112 HydrophobicContact CE-CB 4.3Å; M66-Q113 HydrophobicContact CE-CB 4.15Å; M66-Q113 HydrophobicContact CE-CG 3.66Å; M66-A116 HydrophobicContact CE-CB 4.31Å; M66-V155 HydrophobicContact CG-CG1 4.17Å; M66-V155 HydrophobicContact SD-CG1 4.37Å; M66-V155 HydrophobicContact SD-CG2 3.97Å; M66-L160 HydrophobicContact CG-CD1 4.41Å
67T98.6Very high98Very high38 Ų3848.2 Ų48.223%0.23324%0.237CC..THydrogen-bonded Turntrans-76-1.9179.653.30000113.7A63 D64 E65 Y69 H70 D72 I75A63-T67 WeakPolarHBondContact O-CG2 3.33Å; A63-T67 PolarHBondContact O-N 2.86Å; A63-T67 PolarHBondContact O-OG1 3.44Å; A63-T67 VanDerWaalsContact O-OG1 3.04Å; D64-T67 WeakPolarHBondContact CA-OG1 3.47Å; D64-T67 PolarHBondContact O-OG1 3.13Å; E65-T67 PolarHBondContact O-N 3.31Å; T67-Y69 PolarHBondContact O-N 3.15Å; T67-H70 WeakPolarHBondContact CA-O 3.24Å; T67-D72 WeakPolarHBondContact CG2-OD1 3.31Å; T67-I75 HydrophobicContact CG2-CB 3.92Å; T67-I75 HydrophobicContact CG2-CG1 3.82Å; T67-I75 HydrophobicContact CG2-CG2 4.27Å
68K98.3Very high98Very high100 Ų10041.5 Ų41.544%0.43521%0.212SC..THydrogen-bonded Turntrans-59.8-26.7165.9-69.7178.1175.4174.50112.2E65 M66 L160 A390E65-K68 VanDerWaalsContact O-CB 3.32Å; E65-K68 WeakPolarHBondContact O-CB 3.36Å; E65-K68 WeakPolarHBondContact O-CG 3.2Å; E65-K68 PolarHBondContact O-N 3.32Å; M66-K68 PolarHBondContact O-N 3.35Å; K68-L160 HydrophobicContact CB-CD2 4.24Å; K68-A390 VanDerWaalsContact NZ-CA 3.29Å
69Y98.7Very high98.1Very high24 Ų2447.9 Ų47.99%0.09424%0.235CC..THydrogen-bonded Turntrans-117.6-54.8171.9172.6-122.9000112.3M66 T67 K146 N156 V159 A188M66-Y69 PolarHBondContact O-N 3.37Å; T67-Y69 PolarHBondContact O-N 3.15Å; Y69-K146 HydrophobicContact CE1-CB 4.43Å; Y69-K146 HydrophobicContact CE2-CB 4.09Å; Y69-K146 HydrophobicContact CE2-CG 4.38Å; Y69-K146 WeakPolarHBondContact O-CE 3.4Å; Y69-K146 WeakPolarHBondContact O-CG 3.36Å; Y69-K146 PolarHBondContact OH-N 3.01Å; Y69-N156 HydrophobicContact CD1-CB 4.37Å; Y69-N156 HydrophobicContact CE1-CB 4.11Å; Y69-V159 HydrophobicContact CD1-CB 4.06Å; Y69-V159 HydrophobicContact CD1-CG1 3.73Å; Y69-V159 HydrophobicContact CD2-CG1 3.56Å; Y69-V159 HydrophobicContact CE1-CB 4.27Å; Y69-V159 HydrophobicContact CE1-CG1 4.1Å; Y69-V159 HydrophobicContact CE1-CG2 4.3Å; Y69-V159 HydrophobicContact CE2-CG1 3.96Å; Y69-V159 HydrophobicContact CG-CB 4.26Å; Y69-V159 HydrophobicContact CG-CG1 3.44Å; Y69-V159 VanDerWaalsContact CG-CG1 3.44Å; Y69-A188 HydrophobicContact CE2-CB 3.68Å
70H98.8Very high98.2Very high4 Ų447.4 Ų47.42%0.01924%0.236CC..SBendtrans-72.1157.4-172-67.6-75.9000112.5M66 T67 Y74 I75 K145 K146 N156M66-H70 PolarHBondContact O-CD2 2.97Å; M66-H70 PolarHBondContact O-N 3.23Å; T67-H70 WeakPolarHBondContact CA-O 3.24Å; H70-Y74 HydrophobicContact CB-CD1 4.19Å; H70-Y74 AromaticContact ND1-CD1 3.89Å; H70-Y74 AromaticContact ND1-CE1 3.81Å; H70-I75 HydrophobicContact CB-CD1 3.59Å; H70-I75 HydrophobicContact CB-CG1 3.6Å; H70-K145 PolarHBondContact CE1-O 3.09Å; H70-K145 PolarHBondContact ND1-O 2.86Å; H70-K146 VanDerWaalsContact CA-O 3.25Å; H70-K146 WeakPolarHBondContact CA-O 3.24Å; H70-K146 PolarHBondContact ND1-O 3.37Å; H70-N156 PolarHBondContact CE1-N 3.38Å; H70-N156 PolarHBondContact NE2-N 3.17Å
71S98.6Very high98.2Very high20 Ų2043.9 Ų43.914%0.1422%0.222CC..  trans-69.9144.9174.870.70000111.9D73 Y74 I75 K146 S147S71-D73 WeakPolarHBondContact CB-OD1 3.37Å; S71-D73 PolarHBondContact O-N 3.4Å; S71-D73 PolarHBondContact OG-OD1 2.87Å; S71-Y74 PolarHBondContact O-N 3.28Å; S71-Y74 VanDerWaalsContact O-N 3.16Å; S71-Y74 WeakPolarHBondContact OG-CB 3.34Å; S71-Y74 PolarHBondContact OG-N 3.32Å; S71-I75 PolarHBondContact O-N 2.88Å; S71-I75 VanDerWaalsContact O-N 3.08Å; S71-K146 PolarHBondContact N-O 2.85Å; S71-S147 PolarHBondContact OG-OG 3.37Å
72D98.5Very high98.2Very high122 Ų12249.5 Ų49.565%0.65224%0.242SC*.Hα-helixtrans-57.8-38.8179.5-59.3-64.8000112.3T67 K76T67-D72 WeakPolarHBondContact CG2-OD1 3.31Å; D72-K76 WeakPolarHBondContact O-CB 3.48Å; D72-K76 PolarHBondContact O-N 2.82Å
73D98.4Very high98.1Very high59 Ų5949 Ų4932%0.31624%0.24SC..Hα-helixtrans-70.7-33.3-179.767.5-25000112.6S71 F77 R95 F96S71-D73 WeakPolarHBondContact CB-OD1 3.37Å; S71-D73 PolarHBondContact O-N 3.4Å; S71-D73 PolarHBondContact OG-OD1 2.87Å; D73-F77 WeakPolarHBondContact O-CB 3.19Å; D73-F77 PolarHBondContact O-N 3.22Å; D73-R95 IonicContact OD2-CZ 2.65Å; D73-R95 IonicContact OD2-NH1 3Å; D73-R95 PolarHBondContact OD2-NH1 3.23Å; D73-R95 IonicContact OD2-NH2 3.64Å; D73-R95 PolarHBondContact OD2-NH2 3.4Å; D73-F96 HydrophobicContact CB-CZ 4.47Å
74Y98.8Very high98.1Very high0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-70.8-47.5175.7176.5-121.9000111.7H70 S71 K76 F77 L78 F96 A149 Y154H70-Y74 HydrophobicContact CB-CD1 4.19Å; H70-Y74 AromaticContact ND1-CD1 3.89Å; H70-Y74 AromaticContact ND1-CE1 3.81Å; S71-Y74 PolarHBondContact O-N 3.28Å; S71-Y74 VanDerWaalsContact O-N 3.16Å; S71-Y74 WeakPolarHBondContact OG-CB 3.34Å; S71-Y74 PolarHBondContact OG-N 3.32Å; Y74-K76 VanDerWaalsContact C-N 3.32Å; Y74-K76 PolarHBondContact O-N 2.86Å; Y74-F77 HydrophobicContact CD2-CD1 4.32Å; Y74-F77 HydrophobicContact CE2-CD1 4.47Å; Y74-F77 WeakPolarHBondContact O-CB 3.4Å; Y74-F77 PolarHBondContact O-N 3.42Å; Y74-F77 VanDerWaalsContact O-N 3.13Å; Y74-L78 HydrophobicContact CD1-CD1 4.41Å; Y74-L78 HydrophobicContact CD2-CG 4.4Å; Y74-L78 HydrophobicContact CE1-CD1 3.79Å; Y74-L78 HydrophobicContact CE1-CG 4.46Å; Y74-L78 HydrophobicContact CE2-CD1 4.11Å; Y74-L78 HydrophobicContact CE2-CD2 4.08Å; Y74-L78 HydrophobicContact CE2-CG 3.96Å; Y74-L78 PolarHBondContact O-N 3.3Å; Y74-F96 HydrophobicContact CD2-CB 3.85Å; Y74-F96 AromaticContact CD2-CD1 3.71Å; Y74-F96 HydrophobicContact CD2-CD1 3.71Å; Y74-F96 HydrophobicContact CD2-CD2 4.35Å; Y74-F96 HydrophobicContact CD2-CE1 4.24Å; Y74-F96 AromaticContact CD2-CG 3.73Å; Y74-F96 HydrophobicContact CD2-CG 3.73Å; Y74-F96 HydrophobicContact CE2-CB 3.92Å; Y74-F96 HydrophobicContact CE2-CG 4.33Å; Y74-F96 HydrophobicContact CG-CD1 4.44Å; Y74-A149 WeakPolarHBondContact OH-CA 3.29Å; Y74-A149 PolarHBondContact OH-N 3.44Å; Y74-Y154 VanDerWaalsContact CE1-O 3.23Å; Y74-Y154 WeakPolarHBondContact CE1-O 3.48Å; Y74-Y154 WeakPolarHBondContact OH-CA 3.39Å; Y74-Y154 PolarHBondContact OH-O 2.99Å
75I98.8Very high98.1Very high2 Ų247.9 Ų47.91%0.0123%0.231CC..Hα-helixtrans-64.7-38.8176.7-62.3-53.5000111.1A63 M66 T67 H70 S71 F77 L78 R79 F109 V155A63-I75 HydrophobicContact CB-CG2 3.89Å; M66-I75 HydrophobicContact CB-CD1 3.77Å; M66-I75 HydrophobicContact CB-CG1 3.96Å; M66-I75 HydrophobicContact CB-CG2 4.27Å; M66-I75 HydrophobicContact SD-CD1 4.18Å; M66-I75 HydrophobicContact SD-CG2 4.34Å; T67-I75 HydrophobicContact CG2-CB 3.92Å; T67-I75 HydrophobicContact CG2-CG1 3.82Å; T67-I75 HydrophobicContact CG2-CG2 4.27Å; H70-I75 HydrophobicContact CB-CD1 3.59Å; H70-I75 HydrophobicContact CB-CG1 3.6Å; S71-I75 PolarHBondContact O-N 2.88Å; S71-I75 VanDerWaalsContact O-N 3.08Å; I75-F77 VanDerWaalsContact C-N 3.3Å; I75-F77 PolarHBondContact O-N 3.39Å; I75-L78 HydrophobicContact CD1-CD1 4.36Å; I75-L78 PolarHBondContact O-N 2.82Å; I75-R79 WeakPolarHBondContact O-CB 3.27Å; I75-R79 PolarHBondContact O-N 3Å; I75-F109 HydrophobicContact CG2-CE2 4.28Å; I75-V155 HydrophobicContact CD1-CG2 4.14Å
76K98.5Very high98Very high132 Ų13250.2 Ų50.257%0.57424%0.243SC*.Hα-helixtrans-62.2-38.7173.4-175.6176.9-179.9178.50112D72 Y74 S80D72-K76 WeakPolarHBondContact O-CB 3.48Å; D72-K76 PolarHBondContact O-N 2.82Å; Y74-K76 VanDerWaalsContact C-N 3.32Å; Y74-K76 PolarHBondContact O-N 2.86Å; K76-S80 WeakPolarHBondContact O-CB 3.32Å; K76-S80 PolarHBondContact O-N 2.98Å; K76-S80 PolarHBondContact O-OG 2.91Å
77F98.6Very high97.9Very high3 Ų355 Ų551%0.01328%0.276CS..Hα-helixtrans-62.4-53173.3162.3-102.2000111.4D73 Y74 I75 R79 S80 I81 F89 Q92 M93 F96 V98D73-F77 WeakPolarHBondContact O-CB 3.19Å; D73-F77 PolarHBondContact O-N 3.22Å; Y74-F77 HydrophobicContact CD2-CD1 4.32Å; Y74-F77 HydrophobicContact CE2-CD1 4.47Å; Y74-F77 WeakPolarHBondContact O-CB 3.4Å; Y74-F77 PolarHBondContact O-N 3.42Å; Y74-F77 VanDerWaalsContact O-N 3.13Å; I75-F77 VanDerWaalsContact C-N 3.3Å; I75-F77 PolarHBondContact O-N 3.39Å; F77-R79 PolarHBondContact O-N 3.37Å; F77-S80 PolarHBondContact O-N 2.86Å; F77-I81 HydrophobicContact CD2-CB 4.28Å; F77-I81 HydrophobicContact CE1-CG2 4.28Å; F77-I81 HydrophobicContact CE2-CB 3.84Å; F77-I81 HydrophobicContact CE2-CD1 4.03Å; F77-I81 HydrophobicContact CE2-CG1 4.01Å; F77-I81 HydrophobicContact CE2-CG2 4.36Å; F77-I81 HydrophobicContact CZ-CB 4.03Å; F77-I81 HydrophobicContact CZ-CD1 4.38Å; F77-I81 HydrophobicContact CZ-CG1 4.02Å; F77-I81 HydrophobicContact CZ-CG2 4.13Å; F77-I81 WeakPolarHBondContact O-CG2 3.29Å; F77-I81 PolarHBondContact O-N 2.98Å; F77-F89 AromaticContact CD2-CD1 3.81Å; F77-F89 HydrophobicContact CD2-CD1 3.81Å; F77-F89 HydrophobicContact CD2-CE1 4.36Å; F77-F89 HydrophobicContact CE2-CB 4.18Å; F77-F89 AromaticContact CE2-CD1 3.99Å; F77-F89 HydrophobicContact CE2-CD1 3.99Å; F77-F89 HydrophobicContact CE2-CG 4.39Å; F77-Q92 HydrophobicContact CD2-CB 3.74Å; F77-Q92 HydrophobicContact CE2-CB 3.83Å; F77-M93 HydrophobicContact CE2-CG 4.22Å; F77-M93 HydrophobicContact CZ-CG 3.99Å; F77-F96 HydrophobicContact CB-CD2 3.74Å; F77-F96 HydrophobicContact CB-CE2 3.48Å; F77-F96 VanDerWaalsContact CB-CE2 3.48Å; F77-F96 HydrophobicContact CB-CZ 4.41Å; F77-F96 HydrophobicContact CD1-CB 4.07Å; F77-F96 AromaticContact CD1-CD2 3.35Å; F77-F96 HydrophobicContact CD1-CD2 3.35Å; F77-F96 HydrophobicContact CD1-CE2 4.05Å; F77-F96 HydrophobicContact CD1-CG 4.01Å; F77-F96 AromaticContact CD2-CD2 3.9Å; F77-F96 HydrophobicContact CD2-CD2 3.9Å; F77-F96 HydrophobicContact CD2-CE2 4.19Å; F77-F96 HydrophobicContact CE1-CB 3.95Å; F77-F96 AromaticContact CE1-CD2 3.86Å; F77-F96 HydrophobicContact CE1-CD2 3.86Å; F77-F96 HydrophobicContact CE1-CG 4.34Å; F77-F96 HydrophobicContact CE2-CD2 4.35Å; F77-F96 AromaticContact CG-CD2 3.36Å; F77-F96 HydrophobicContact CG-CD2 3.36Å; F77-F96 AromaticContact CG-CE2 3.64Å; F77-F96 HydrophobicContact CG-CE2 3.64Å; F77-F96 HydrophobicContact CG-CG 4.42Å; F77-F96 HydrophobicContact CZ-CD2 4.34Å; F77-V98 HydrophobicContact CE1-CB 4.03Å; F77-V98 HydrophobicContact CE1-CG1 4.41Å; F77-V98 HydrophobicContact CE1-CG2 3.86Å; F77-V98 HydrophobicContact CZ-CB 4.13Å; F77-V98 HydrophobicContact CZ-CG1 4.34Å; F77-V98 HydrophobicContact CZ-CG2 4.46Å
78L98.6Very high97.8Very high0 Ų060.6 Ų60.60%030%0.3CS..Hα-helixtrans-57.8-36.4179-69.2-177.9000112.6Y74 I75 S80 V98 L108 F109 Y154 V155Y74-L78 HydrophobicContact CD1-CD1 4.41Å; Y74-L78 HydrophobicContact CD2-CG 4.4Å; Y74-L78 HydrophobicContact CE1-CD1 3.79Å; Y74-L78 HydrophobicContact CE1-CG 4.46Å; Y74-L78 HydrophobicContact CE2-CD1 4.11Å; Y74-L78 HydrophobicContact CE2-CD2 4.08Å; Y74-L78 HydrophobicContact CE2-CG 3.96Å; Y74-L78 PolarHBondContact O-N 3.3Å; I75-L78 HydrophobicContact CD1-CD1 4.36Å; I75-L78 PolarHBondContact O-N 2.82Å; L78-S80 VanDerWaalsContact C-N 3.27Å; L78-S80 PolarHBondContact O-N 3.35Å; L78-V98 HydrophobicContact CD2-CG2 4.43Å; L78-L108 HydrophobicContact CD2-CD2 4.38Å; L78-F109 HydrophobicContact CB-CD2 3.97Å; L78-F109 HydrophobicContact CB-CE2 4.42Å; L78-Y154 HydrophobicContact CD2-CD1 4.27Å; L78-V155 HydrophobicContact CD1-CG2 3.91Å
79R98.2Very high97.8Very high146 Ų14657.6 Ų57.655%0.55129%0.287SS*.Hα-helixtrans-69.2-24175.6-167.2176.173.5-175.62.8113.4I75 F77 F109I75-R79 WeakPolarHBondContact O-CB 3.27Å; I75-R79 PolarHBondContact O-N 3Å; F77-R79 PolarHBondContact O-N 3.37Å; R79-F109 HydrophobicContact CB-CD1 4.32Å; R79-F109 HydrophobicContact CB-CD2 4.11Å; R79-F109 HydrophobicContact CB-CE1 4.16Å; R79-F109 HydrophobicContact CB-CE2 3.95Å; R79-F109 HydrophobicContact CB-CG 4.3Å; R79-F109 HydrophobicContact CB-CZ 3.98Å; R79-F109 HydrophobicContact CG-CD1 4.01Å; R79-F109 HydrophobicContact CG-CE1 3.78Å; R79-F109 HydrophobicContact CG-CE2 4.47Å; R79-F109 HydrophobicContact CG-CG 4.45Å; R79-F109 HydrophobicContact CG-CZ 4.03Å
80S98.1Very high97.6Very high37 Ų3759.9 Ų59.926%0.25931%0.306SS..Hα-helixtrans-100.8-33.5-173.1-54.40000113.2K76 F77 L78 R82 N85K76-S80 WeakPolarHBondContact O-CB 3.32Å; K76-S80 PolarHBondContact O-N 2.98Å; K76-S80 PolarHBondContact O-OG 2.91Å; F77-S80 PolarHBondContact O-N 2.86Å; L78-S80 VanDerWaalsContact C-N 3.27Å; L78-S80 PolarHBondContact O-N 3.35Å; S80-R82 PolarHBondContact O-NH1 3.1Å; S80-N85 PolarHBondContact O-ND2 3.08Å
81I98Very high97.5Very high8 Ų868.1 Ų68.14%0.04134%0.342CS..  trans-68.6135.6-176-17268.1000111.1F77 F89 M93 V104 L108F77-I81 HydrophobicContact CD2-CB 4.28Å; F77-I81 HydrophobicContact CE1-CG2 4.28Å; F77-I81 HydrophobicContact CE2-CB 3.84Å; F77-I81 HydrophobicContact CE2-CD1 4.03Å; F77-I81 HydrophobicContact CE2-CG1 4.01Å; F77-I81 HydrophobicContact CE2-CG2 4.36Å; F77-I81 HydrophobicContact CZ-CB 4.03Å; F77-I81 HydrophobicContact CZ-CD1 4.38Å; F77-I81 HydrophobicContact CZ-CG1 4.02Å; F77-I81 HydrophobicContact CZ-CG2 4.13Å; F77-I81 WeakPolarHBondContact O-CG2 3.29Å; F77-I81 PolarHBondContact O-N 2.98Å; I81-F89 HydrophobicContact CD1-CB 3.47Å; I81-F89 VanDerWaalsContact CD1-CB 3.47Å; I81-F89 HydrophobicContact CD1-CD2 4.04Å; I81-F89 HydrophobicContact CD1-CG 3.81Å; I81-M93 HydrophobicContact CD1-CG 4.23Å; I81-M93 HydrophobicContact CD1-SD 4.2Å; I81-V104 HydrophobicContact CD1-CG2 4.37Å; I81-V104 HydrophobicContact CG1-CG1 3.9Å; I81-V104 HydrophobicContact CG1-CG2 3.76Å; I81-L108 HydrophobicContact CG2-CD2 4.26Å
82R97.3Very high97.4Very high120 Ų12071 Ų7145%0.45335%0.353SS..  trans-149.6161.5178.3-70-171.3-49.8-85.31.8109.5S80 D84 N85 M86S80-R82 PolarHBondContact O-NH1 3.1Å; R82-D84 WeakPolarHBondContact CB-OD1 3.48Å; R82-D84 IonicContact CZ-OD1 3.19Å; R82-D84 IonicContact CZ-OD2 2.75Å; R82-D84 IonicContact NE-OD1 2.83Å; R82-D84 PolarHBondContact NE-OD1 2.65Å; R82-D84 IonicContact NE-OD2 2.77Å; R82-D84 PolarHBondContact NE-OD2 3Å; R82-D84 IonicContact NH2-OD1 2.64Å; R82-D84 PolarHBondContact NH2-OD1 2.97Å; R82-D84 IonicContact NH2-OD2 2.68Å; R82-D84 PolarHBondContact NH2-OD2 3.27Å; R82-D84 PolarHBondContact O-N 3.35Å; R82-N85 PolarHBondContact N-OD1 3.47Å; R82-N85 PolarHBondContact O-N 2.89Å; R82-N85 PolarHBondContact O-OD1 3.07Å; R82-M86 WeakPolarHBondContact O-CG 3.34Å; R82-M86 PolarHBondContact O-N 2.93Å
83P96.8Very high97.4Very high50 Ų5066.3 Ų66.333%0.32533%0.328SS..G310 helixtrans-56.7-33.2178.2-2938.3000114.3N85 V104 D106P83-N85 VanDerWaalsContact C-N 3.35Å; P83-N85 PolarHBondContact O-N 2.91Å; P83-V104 HydrophobicContact CG-CG1 4.21Å; P83-D106 WeakPolarHBondContact CD-OD1 3.29Å; P83-D106 WeakPolarHBondContact CG-OD1 3.25Å
84D96.4Very high97.3Very high114 Ų11471.6 Ų71.661%0.6135%0.351SS*.G310 helixtrans-68.6-27.4-179.665.8-26.9000114R82R82-D84 WeakPolarHBondContact CB-OD1 3.48Å; R82-D84 IonicContact CZ-OD1 3.19Å; R82-D84 IonicContact CZ-OD2 2.75Å; R82-D84 IonicContact NE-OD1 2.83Å; R82-D84 PolarHBondContact NE-OD1 2.65Å; R82-D84 IonicContact NE-OD2 2.77Å; R82-D84 PolarHBondContact NE-OD2 3Å; R82-D84 IonicContact NH2-OD1 2.64Å; R82-D84 PolarHBondContact NH2-OD1 2.97Å; R82-D84 IonicContact NH2-OD2 2.68Å; R82-D84 PolarHBondContact NH2-OD2 3.27Å; R82-D84 PolarHBondContact O-N 3.35Å
85N96.9Very high97.3Very high11 Ų1178.9 Ų78.96%0.05938%0.378CS..G310 helixtrans-1138.6-173.669.619.9000114.5S80 R82 P83 S87 E88 F89S80-N85 PolarHBondContact O-ND2 3.08Å; R82-N85 PolarHBondContact N-OD1 3.47Å; R82-N85 PolarHBondContact O-N 2.89Å; R82-N85 PolarHBondContact O-OD1 3.07Å; P83-N85 VanDerWaalsContact C-N 3.35Å; P83-N85 PolarHBondContact O-N 2.91Å; N85-S87 PolarHBondContact O-N 3.44Å; N85-S87 VanDerWaalsContact O-N 3.09Å; N85-E88 WeakPolarHBondContact O-CB 3.33Å; N85-E88 PolarHBondContact O-N 3.15Å; N85-F89 HydrophobicContact CB-CD2 4.2Å; N85-F89 HydrophobicContact CB-CE2 4.25Å; N85-F89 WeakPolarHBondContact O-CD2 3.45Å; N85-F89 PolarHBondContact O-N 3.35Å
86M95.7Very high97.3Very high65 Ų6578.9 Ų78.932%0.3238%0.378SS..THydrogen-bonded Turntrans-51.8-38.1-177.2-67.1176.170.600114R82 E88 F89 S90 M93 V104R82-M86 WeakPolarHBondContact O-CG 3.34Å; R82-M86 PolarHBondContact O-N 2.93Å; M86-E88 VanDerWaalsContact C-N 3.3Å; M86-E88 PolarHBondContact O-N 3.11Å; M86-F89 PolarHBondContact O-N 3.02Å; M86-S90 PolarHBondContact O-N 3.18Å; M86-M93 HydrophobicContact CB-SD 4.06Å; M86-M93 HydrophobicContact CE-CE 3.6Å; M86-M93 HydrophobicContact CE-SD 4.34Å; M86-M93 HydrophobicContact CG-SD 4.4Å; M86-V104 HydrophobicContact CE-CB 4Å; M86-V104 HydrophobicContact CE-CG2 4.03Å; M86-V104 HydrophobicContact CG-CB 4.2Å; M86-V104 HydrophobicContact CG-CG1 4.14Å; M86-V104 HydrophobicContact CG-CG2 4.29Å; M86-V104 HydrophobicContact SD-CB 3.97Å; M86-V104 HydrophobicContact SD-CG1 4.31Å; M86-V104 HydrophobicContact SD-CG2 4.45Å
87S95.5Very high97.2Very high100 Ų10076.6 Ų76.670%0.69937%0.372SS*.THydrogen-bonded Turntrans-62.8-35.4-179.865.70000113N85 F89 S90N85-S87 PolarHBondContact O-N 3.44Å; N85-S87 VanDerWaalsContact O-N 3.09Å; S87-F89 VanDerWaalsContact C-N 3.33Å; S87-S90 PolarHBondContact O-OG 3.34Å
88E97.1Very high97.2Very high156 Ų15676.7 Ų76.773%0.72937%0.373SS*.THydrogen-bonded Turntrans-72.5-29.4178.4-58.1179.2-170.800111.8N85 M86N85-E88 WeakPolarHBondContact O-CB 3.33Å; N85-E88 PolarHBondContact O-N 3.15Å; M86-E88 VanDerWaalsContact C-N 3.3Å; M86-E88 PolarHBondContact O-N 3.11Å
89F96.8Very high97Very high37 Ų3778 Ų7816%0.16239%0.387CS..THydrogen-bonded Turntrans-98.26.2-176.3-76.9-87.8000114.5F77 I81 N85 M86 S87 K91 Q92 M93F77-F89 AromaticContact CD2-CD1 3.81Å; F77-F89 HydrophobicContact CD2-CD1 3.81Å; F77-F89 HydrophobicContact CD2-CE1 4.36Å; F77-F89 HydrophobicContact CE2-CB 4.18Å; F77-F89 AromaticContact CE2-CD1 3.99Å; F77-F89 HydrophobicContact CE2-CD1 3.99Å; F77-F89 HydrophobicContact CE2-CG 4.39Å; I81-F89 HydrophobicContact CD1-CB 3.47Å; I81-F89 VanDerWaalsContact CD1-CB 3.47Å; I81-F89 HydrophobicContact CD1-CD2 4.04Å; I81-F89 HydrophobicContact CD1-CG 3.81Å; N85-F89 HydrophobicContact CB-CD2 4.2Å; N85-F89 HydrophobicContact CB-CE2 4.25Å; N85-F89 WeakPolarHBondContact O-CD2 3.45Å; N85-F89 PolarHBondContact O-N 3.35Å; M86-F89 PolarHBondContact O-N 3.02Å; S87-F89 VanDerWaalsContact C-N 3.33Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 2.85Å; F89-Q92 HydrophobicContact CD1-CB 4.38Å; F89-Q92 WeakPolarHBondContact O-CA 3.36Å; F89-Q92 PolarHBondContact O-N 3.18Å; F89-M93 HydrophobicContact CB-CG 4.4Å; F89-M93 PolarHBondContact O-N 3.04Å
90S95.3Very high96.6Very high71 Ų7179.7 Ų79.750%0.49740%0.401SS..Hα-helixtrans-45.2-44-176.653.60000115.3M86 S87 Q94M86-S90 PolarHBondContact O-N 3.18Å; S87-S90 PolarHBondContact O-OG 3.34Å; S90-Q94 PolarHBondContact O-N 3.3Å
91K96.2Very high96.4Very high177 Ų17783 Ų8377%0.7742%0.415SS*.Hα-helixtrans-66.9-39176.9-69.5-176.4179.4178.10113.3F89 R95F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 2.85Å; K91-R95 PolarHBondContact O-N 3.44Å; K91-R95 VanDerWaalsContact O-N 3.16Å
92Q96.9Very high96.4Very high80 Ų8082.7 Ų82.737%0.37441%0.414SS..Hα-helixtrans-74.3-37.9178.9-67.7-176.331.400110.9F77 F89 Q94 R95 F96F77-Q92 HydrophobicContact CD2-CB 3.74Å; F77-Q92 HydrophobicContact CE2-CB 3.83Å; F89-Q92 HydrophobicContact CD1-CB 4.38Å; F89-Q92 WeakPolarHBondContact O-CA 3.36Å; F89-Q92 PolarHBondContact O-N 3.18Å; Q92-Q94 VanDerWaalsContact C-N 3.33Å; Q92-Q94 PolarHBondContact O-N 2.96Å; Q92-R95 PolarHBondContact O-N 3.46Å; Q92-R95 VanDerWaalsContact O-N 3.13Å; Q92-F96 HydrophobicContact CB-CD2 3.93Å; Q92-F96 HydrophobicContact CB-CE2 3.98Å; Q92-F96 HydrophobicContact CG-CE2 4.31Å; Q92-F96 WeakPolarHBondContact O-CB 3.35Å; Q92-F96 WeakPolarHBondContact O-CD2 3.38Å; Q92-F96 WeakPolarHBondContact O-CG 3.48Å; Q92-F96 PolarHBondContact O-N 3.3Å
93M97.9Very high96.4Very high24 Ų2477.8 Ų77.812%0.11840%0.398CS..Hα-helixtrans-53.9-48.3172.3-79.4-178.668.900111.8F77 I81 M86 F89 N97 V98 V104F77-M93 HydrophobicContact CE2-CG 4.22Å; F77-M93 HydrophobicContact CZ-CG 3.99Å; I81-M93 HydrophobicContact CD1-CG 4.23Å; I81-M93 HydrophobicContact CD1-SD 4.2Å; M86-M93 HydrophobicContact CB-SD 4.06Å; M86-M93 HydrophobicContact CE-CE 3.6Å; M86-M93 HydrophobicContact CE-SD 4.34Å; M86-M93 HydrophobicContact CG-SD 4.4Å; F89-M93 HydrophobicContact CB-CG 4.4Å; F89-M93 PolarHBondContact O-N 3.04Å; M93-N97 PolarHBondContact O-N 2.98Å; M93-V98 CarbonylContact C-O 3.55Å; M93-V98 WeakPolarHBondContact CB-O 3.39Å; M93-V98 VanDerWaalsContact CE-O 3.24Å; M93-V98 WeakPolarHBondContact CE-O 3.42Å; M93-V98 PolarHBondContact O-N 3.28Å; M93-V104 HydrophobicContact CE-CG2 3.95Å; M93-V104 HydrophobicContact SD-CG2 4.46Å
94Q97.3Very high96.5Very high171 Ų17176.2 Ų76.280%0.79939%0.387SS*.Hα-helixtrans-63.8-43.5174.8-172-178.719.900112.3S90 Q92 F96 N97S90-Q94 PolarHBondContact O-N 3.3Å; Q92-Q94 VanDerWaalsContact C-N 3.33Å; Q92-Q94 PolarHBondContact O-N 2.96Å; Q94-F96 VanDerWaalsContact C-N 3.34Å; Q94-F96 PolarHBondContact O-N 3.06Å; Q94-N97 PolarHBondContact O-N 3.08Å
95R97.9Very high96.6Very high152 Ų15271.4 Ų71.457%0.57436%0.361SS*.Hα-helixtrans-63.5-38.4-179.4178.3-179.6174.8-146.7-8.8112.8D73 K91 Q92D73-R95 IonicContact OD2-CZ 2.65Å; D73-R95 IonicContact OD2-NH1 3Å; D73-R95 PolarHBondContact OD2-NH1 3.23Å; D73-R95 IonicContact OD2-NH2 3.64Å; D73-R95 PolarHBondContact OD2-NH2 3.4Å; K91-R95 PolarHBondContact O-N 3.44Å; K91-R95 VanDerWaalsContact O-N 3.16Å; Q92-R95 PolarHBondContact O-N 3.46Å; Q92-R95 VanDerWaalsContact O-N 3.13Å
96F98.5Very high96.6Very high2 Ų276.8 Ų76.81%0.00939%0.39CS..THydrogen-bonded Turntrans-99.88.4-174.2-61.5-46.4000112.9D73 Y74 F77 Q92 Q94 V98 S147 E148 A149D73-F96 HydrophobicContact CB-CZ 4.47Å; Y74-F96 HydrophobicContact CD2-CB 3.85Å; Y74-F96 AromaticContact CD2-CD1 3.71Å; Y74-F96 HydrophobicContact CD2-CD1 3.71Å; Y74-F96 HydrophobicContact CD2-CD2 4.35Å; Y74-F96 HydrophobicContact CD2-CE1 4.24Å; Y74-F96 AromaticContact CD2-CG 3.73Å; Y74-F96 HydrophobicContact CD2-CG 3.73Å; Y74-F96 HydrophobicContact CE2-CB 3.92Å; Y74-F96 HydrophobicContact CE2-CG 4.33Å; Y74-F96 HydrophobicContact CG-CD1 4.44Å; F77-F96 HydrophobicContact CB-CD2 3.74Å; F77-F96 HydrophobicContact CB-CE2 3.48Å; F77-F96 VanDerWaalsContact CB-CE2 3.48Å; F77-F96 HydrophobicContact CB-CZ 4.41Å; F77-F96 HydrophobicContact CD1-CB 4.07Å; F77-F96 AromaticContact CD1-CD2 3.35Å; F77-F96 HydrophobicContact CD1-CD2 3.35Å; F77-F96 HydrophobicContact CD1-CE2 4.05Å; F77-F96 HydrophobicContact CD1-CG 4.01Å; F77-F96 AromaticContact CD2-CD2 3.9Å; F77-F96 HydrophobicContact CD2-CD2 3.9Å; F77-F96 HydrophobicContact CD2-CE2 4.19Å; F77-F96 HydrophobicContact CE1-CB 3.95Å; F77-F96 AromaticContact CE1-CD2 3.86Å; F77-F96 HydrophobicContact CE1-CD2 3.86Å; F77-F96 HydrophobicContact CE1-CG 4.34Å; F77-F96 HydrophobicContact CE2-CD2 4.35Å; F77-F96 AromaticContact CG-CD2 3.36Å; F77-F96 HydrophobicContact CG-CD2 3.36Å; F77-F96 AromaticContact CG-CE2 3.64Å; F77-F96 HydrophobicContact CG-CE2 3.64Å; F77-F96 HydrophobicContact CG-CG 4.42Å; F77-F96 HydrophobicContact CZ-CD2 4.34Å; Q92-F96 HydrophobicContact CB-CD2 3.93Å; Q92-F96 HydrophobicContact CB-CE2 3.98Å; Q92-F96 HydrophobicContact CG-CE2 4.31Å; Q92-F96 WeakPolarHBondContact O-CB 3.35Å; Q92-F96 WeakPolarHBondContact O-CD2 3.38Å; Q92-F96 WeakPolarHBondContact O-CG 3.48Å; Q92-F96 PolarHBondContact O-N 3.3Å; Q94-F96 VanDerWaalsContact C-N 3.34Å; Q94-F96 PolarHBondContact O-N 3.06Å; F96-V98 VanDerWaalsContact C-N 3.33Å; F96-V98 PolarHBondContact O-N 3.36Å; F96-S147 WeakPolarHBondContact CD1-O 3.35Å; F96-E148 WeakPolarHBondContact O-CA 3.46Å; F96-A149 PolarHBondContact O-N 2.73Å
97N98.2Very high96.7Very high84 Ų8475 Ų7545%0.44939%0.388SS..THydrogen-bonded Turntrans54.643178.8-165.939.9000114M93 Q94 E148 A149M93-N97 PolarHBondContact O-N 2.98Å; Q94-N97 PolarHBondContact O-N 3.08Å; N97-E148 HydrophobicContact CB-CB 4.23Å; N97-A149 WeakPolarHBondContact CB-O 3.36Å; N97-A149 PolarHBondContact ND2-O 3.17Å
98V98Very high96.9Very high5 Ų570.4 Ų70.43%0.0336%0.356CS..  trans-114.2123177174.20000109.2F77 L78 M93 F96 C102 V104 A149 Y154F77-V98 HydrophobicContact CE1-CB 4.03Å; F77-V98 HydrophobicContact CE1-CG1 4.41Å; F77-V98 HydrophobicContact CE1-CG2 3.86Å; F77-V98 HydrophobicContact CZ-CB 4.13Å; F77-V98 HydrophobicContact CZ-CG1 4.34Å; F77-V98 HydrophobicContact CZ-CG2 4.46Å; L78-V98 HydrophobicContact CD2-CG2 4.43Å; M93-V98 CarbonylContact C-O 3.55Å; M93-V98 WeakPolarHBondContact CB-O 3.39Å; M93-V98 VanDerWaalsContact CE-O 3.24Å; M93-V98 WeakPolarHBondContact CE-O 3.42Å; M93-V98 PolarHBondContact O-N 3.28Å; F96-V98 VanDerWaalsContact C-N 3.33Å; F96-V98 PolarHBondContact O-N 3.36Å; V98-C102 CarbonylContact C-O 3.43Å; V98-C102 WeakPolarHBondContact CA-O 3.34Å; V98-C102 WeakPolarHBondContact CG1-O 3.32Å; V98-V104 HydrophobicContact CG1-CG2 3.57Å; V98-A149 HydrophobicContact CG2-CB 3.71Å; V98-Y154 HydrophobicContact CG2-CD1 4.22Å; V98-Y154 HydrophobicContact CG2-CE1 4.31Å
99G94.1Very high96.9Very high29 Ų2964.3 Ų64.330%0.29933%0.327SS..SBendtrans157.7-63177.300000113.5C102 P103G99-C102 PolarHBondContact N-O 3.46Å; G99-P103 WeakPolarHBondContact O-CA 3.41Å
100E90.8Very high97Very high180 Ų18066.1 Ų66.184%0.84134%0.336SS*.SBendtrans-81.2-93.2-174.9-63.1-175.8171.400111.2C102E100-C102 PolarHBondContact O-N 3.19Å
101D92.6Very high97.2Very high106 Ų10663 Ų6357%0.56731%0.313SS*.SBendtrans-66.1-28.1179.2-72.2-10.3000111.9H30 P103 F152H30-D101 PolarHBondContact NE2-O 2.79Å; H30-D101 VanDerWaalsContact NE2-O 3.11Å; D101-P103 VanDerWaalsContact C-CD 3.46Å; D101-P103 WeakPolarHBondContact O-CD 3.38Å; D101-F152 HydrophobicContact CB-CE1 4.35Å; D101-F152 WeakPolarHBondContact O-CD1 3.42Å
102C97.9Very high97.3Very high2 Ų254.6 Ų54.61%0.01428%0.277CS..SBendtrans-110.179.2175-63.20000109.6V98 G99 E100 A149 F152 Y154V98-C102 CarbonylContact C-O 3.43Å; V98-C102 WeakPolarHBondContact CA-O 3.34Å; V98-C102 WeakPolarHBondContact CG1-O 3.32Å; G99-C102 PolarHBondContact N-O 3.46Å; E100-C102 PolarHBondContact O-N 3.19Å; C102-A149 HydrophobicContact CB-CB 3.91Å; C102-F152 PolarHBondContact SG-N 3.13Å; C102-Y154 WeakPolarHBondContact CA-OH 3.46Å; C102-Y154 HydrophobicContact CB-CD1 4.43Å; C102-Y154 HydrophobicContact CB-CE1 3.64Å
103P98.2Very high97.4Very high17 Ų1752.1 Ų52.111%0.1127%0.265CS..  trans-70.1155.5-171.128.6-36.9000113.5Y26 G99 D101 F105 Y154Y26-P103 HydrophobicContact CD1-CG 4.09Å; Y26-P103 WeakPolarHBondContact O-CG 3.34Å; G99-P103 WeakPolarHBondContact O-CA 3.41Å; D101-P103 VanDerWaalsContact C-CD 3.46Å; D101-P103 WeakPolarHBondContact O-CD 3.38Å; P103-F105 WeakPolarHBondContact O-CD1 3.25Å; P103-Y154 WeakPolarHBondContact CD-OH 3.37Å; P103-Y154 PolarHBondContact O-OH 3.46Å
104V98.4Very high97.5Very high17 Ų1751.1 Ų51.110%0.10326%0.26CS..  trans-81.3127.6165.9-176.90000108.5I81 P83 M86 M93 V98I81-V104 HydrophobicContact CD1-CG2 4.37Å; I81-V104 HydrophobicContact CG1-CG1 3.9Å; I81-V104 HydrophobicContact CG1-CG2 3.76Å; P83-V104 HydrophobicContact CG-CG1 4.21Å; M86-V104 HydrophobicContact CE-CB 4Å; M86-V104 HydrophobicContact CE-CG2 4.03Å; M86-V104 HydrophobicContact CG-CB 4.2Å; M86-V104 HydrophobicContact CG-CG1 4.14Å; M86-V104 HydrophobicContact CG-CG2 4.29Å; M86-V104 HydrophobicContact SD-CB 3.97Å; M86-V104 HydrophobicContact SD-CG1 4.31Å; M86-V104 HydrophobicContact SD-CG2 4.45Å; M93-V104 HydrophobicContact CE-CG2 3.95Å; M93-V104 HydrophobicContact SD-CG2 4.46Å; V98-V104 HydrophobicContact CG1-CG2 3.57Å
105F98.2Very high97.5Very high13 Ų1343 Ų436%0.05722%0.223CC..  trans-140.2160.917660.2-94.2000111.7Y24 Y25 Y26 P103 G107 L108 F111 Y154Y24-F105 HydrophobicContact CD1-CE2 4.48Å; Y25-F105 VanDerWaalsContact O-CB 3.25Å; Y25-F105 WeakPolarHBondContact O-CB 3.49Å; Y25-F105 WeakPolarHBondContact O-CG 3.15Å; Y26-F105 HydrophobicContact CD1-CE1 4.08Å; Y26-F105 HydrophobicContact CD2-CD1 4.47Å; Y26-F105 AromaticContact CD2-CE1 3.8Å; Y26-F105 HydrophobicContact CD2-CE1 3.8Å; Y26-F105 AromaticContact CD2-CZ 3.94Å; Y26-F105 HydrophobicContact CD2-CZ 3.94Å; Y26-F105 HydrophobicContact CE1-CE1 4.17Å; Y26-F105 AromaticContact CE2-CE1 3.88Å; Y26-F105 HydrophobicContact CE2-CE1 3.88Å; Y26-F105 AromaticContact CE2-CZ 3.8Å; Y26-F105 HydrophobicContact CE2-CZ 3.8Å; Y26-F105 HydrophobicContact CG-CD1 4.3Å; Y26-F105 AromaticContact CG-CE1 3.91Å; Y26-F105 HydrophobicContact CG-CE1 3.91Å; P103-F105 WeakPolarHBondContact O-CD1 3.25Å; F105-G107 PolarHBondContact O-N 3.28Å; F105-L108 HydrophobicContact CD1-CB 4.45Å; F105-L108 HydrophobicContact CD1-CD1 4.14Å; F105-L108 HydrophobicContact CD2-CB 4.23Å; F105-L108 HydrophobicContact CE1-CB 4.33Å; F105-L108 HydrophobicContact CE1-CD1 3.41Å; F105-L108 VanDerWaalsContact CE1-CD1 3.41Å; F105-L108 HydrophobicContact CE1-CG 4.44Å; F105-L108 HydrophobicContact CE2-CB 4.09Å; F105-L108 HydrophobicContact CE2-CD1 4.3Å; F105-L108 HydrophobicContact CG-CB 4.41Å; F105-L108 HydrophobicContact CZ-CB 4.14Å; F105-L108 HydrophobicContact CZ-CD1 3.5Å; F105-L108 HydrophobicContact CZ-CG 4.45Å; F105-L108 WeakPolarHBondContact O-CB 3.22Å; F105-L108 PolarHBondContact O-N 3.21Å; F105-L108 VanDerWaalsContact O-N 3.15Å; F105-F111 HydrophobicContact CE2-CB 4.25Å; F105-F111 HydrophobicContact CZ-CB 4.33Å; F105-F111 HydrophobicContact CZ-CD1 4.18Å; F105-F111 HydrophobicContact CZ-CG 4.27Å; F105-Y154 HydrophobicContact CE1-CE2 4.12Å
106D97.9Very high97.5Very high124 Ų12435.9 Ų35.966%0.66320%0.196SC*.THydrogen-bonded Turntrans-62.5126.4179.1-71.9-39.5000110.9P83P83-D106 WeakPolarHBondContact CD-OD1 3.29Å; P83-D106 WeakPolarHBondContact CG-OD1 3.25Å
107G97.8Very high97.5Very high28 Ų2835.8 Ų35.829%0.28920%0.196SC..THydrogen-bonded Turntrans79.213.4-177.600000115.1Y24 F105 F109 E110 F111Y24-G107 VanDerWaalsContact CE1-O 3.31Å; Y24-G107 WeakPolarHBondContact CE1-O 3.39Å; F105-G107 PolarHBondContact O-N 3.28Å; G107-F109 VanDerWaalsContact C-N 3.29Å; G107-F109 PolarHBondContact O-N 3.28Å; G107-E110 PolarHBondContact O-N 2.89Å; G107-F111 PolarHBondContact O-N 3.49Å
108L98.4Very high97.5Very high3 Ų331.8 Ų31.82%0.01618%0.175CC..Hα-helixtrans-46.5-49.3176.7170.764.8000113.3L78 I81 F105 F111 C112 Y154L78-L108 HydrophobicContact CD2-CD2 4.38Å; I81-L108 HydrophobicContact CG2-CD2 4.26Å; F105-L108 HydrophobicContact CD1-CB 4.45Å; F105-L108 HydrophobicContact CD1-CD1 4.14Å; F105-L108 HydrophobicContact CD2-CB 4.23Å; F105-L108 HydrophobicContact CE1-CB 4.33Å; F105-L108 HydrophobicContact CE1-CD1 3.41Å; F105-L108 VanDerWaalsContact CE1-CD1 3.41Å; F105-L108 HydrophobicContact CE1-CG 4.44Å; F105-L108 HydrophobicContact CE2-CB 4.09Å; F105-L108 HydrophobicContact CE2-CD1 4.3Å; F105-L108 HydrophobicContact CG-CB 4.41Å; F105-L108 HydrophobicContact CZ-CB 4.14Å; F105-L108 HydrophobicContact CZ-CD1 3.5Å; F105-L108 HydrophobicContact CZ-CG 4.45Å; F105-L108 WeakPolarHBondContact O-CB 3.22Å; F105-L108 PolarHBondContact O-N 3.21Å; F105-L108 VanDerWaalsContact O-N 3.15Å; L108-F111 WeakPolarHBondContact O-CB 3.2Å; L108-F111 PolarHBondContact O-N 2.9Å; L108-C112 PolarHBondContact O-N 3.02Å; L108-C112 PolarHBondContact O-SG 2.93Å; L108-Y154 HydrophobicContact CD1-CD1 3.86Å; L108-Y154 HydrophobicContact CD1-CD2 3.59Å; L108-Y154 HydrophobicContact CD1-CE1 3.69Å; L108-Y154 HydrophobicContact CD1-CE2 3.42Å; L108-Y154 VanDerWaalsContact CD1-CE2 3.42Å; L108-Y154 HydrophobicContact CD1-CG 3.81Å; L108-Y154 VanDerWaalsContact CD1-CZ 3.49Å; L108-Y154 HydrophobicContact CD2-CD1 4.32Å; L108-Y154 HydrophobicContact CD2-CE1 4.16Å
109F98.6Very high97.6Very high29 Ų2931.6 Ų31.613%0.12717%0.173CC..Hα-helixtrans-64.6-42.8-179.1-170.3-112.6000111.5M66 I75 L78 R79 G107 F111 C112 Q113M66-F109 HydrophobicContact CE-CE2 4.46Å; M66-F109 HydrophobicContact SD-CE2 3.93Å; M66-F109 HydrophobicContact SD-CZ 4.16Å; I75-F109 HydrophobicContact CG2-CE2 4.28Å; L78-F109 HydrophobicContact CB-CD2 3.97Å; L78-F109 HydrophobicContact CB-CE2 4.42Å; R79-F109 HydrophobicContact CB-CD1 4.32Å; R79-F109 HydrophobicContact CB-CD2 4.11Å; R79-F109 HydrophobicContact CB-CE1 4.16Å; R79-F109 HydrophobicContact CB-CE2 3.95Å; R79-F109 HydrophobicContact CB-CG 4.3Å; R79-F109 HydrophobicContact CB-CZ 3.98Å; R79-F109 HydrophobicContact CG-CD1 4.01Å; R79-F109 HydrophobicContact CG-CE1 3.78Å; R79-F109 HydrophobicContact CG-CE2 4.47Å; R79-F109 HydrophobicContact CG-CG 4.45Å; R79-F109 HydrophobicContact CG-CZ 4.03Å; G107-F109 VanDerWaalsContact C-N 3.29Å; G107-F109 PolarHBondContact O-N 3.28Å; F109-F111 VanDerWaalsContact C-N 3.35Å; F109-F111 PolarHBondContact O-N 3.32Å; F109-C112 WeakPolarHBondContact O-CA 3.32Å; F109-C112 VanDerWaalsContact O-CB 3.31Å; F109-C112 WeakPolarHBondContact O-CB 3.25Å; F109-C112 PolarHBondContact O-N 3.04Å; F109-C112 VanDerWaalsContact O-N 3.08Å; F109-Q113 HydrophobicContact CD1-CG 3.97Å; F109-Q113 VanDerWaalsContact CE1-CD 3.44Å; F109-Q113 HydrophobicContact CE1-CG 3.76Å; F109-Q113 HydrophobicContact CZ-CG 4.18Å; F109-Q113 VanDerWaalsContact O-CG 3.32Å; F109-Q113 WeakPolarHBondContact O-CG 3.47Å; F109-Q113 PolarHBondContact O-N 3.01Å
110E98.6Very high97.7Very high74 Ų7430.5 Ų30.535%0.34616%0.162SC..Hα-helixtrans-64.3-39179-57-163.5137.700112.6Y24 K60 G107 C112 Q113 L114Y24-E110 HydrophobicContact CE1-CB 4.03Å; Y24-E110 WeakPolarHBondContact OH-CB 3.42Å; Y24-E110 PolarHBondContact OH-OE2 3.36Å; K60-E110 VanDerWaalsContact NZ-CD 3.28Å; K60-E110 IonicContact NZ-OE1 3.13Å; K60-E110 PolarHBondContact NZ-OE1 2.91Å; K60-E110 IonicContact NZ-OE2 3.17Å; G107-E110 PolarHBondContact O-N 2.89Å; E110-C112 VanDerWaalsContact C-N 3.27Å; E110-C112 PolarHBondContact O-N 3.46Å; E110-Q113 WeakPolarHBondContact O-CB 3.4Å; E110-Q113 PolarHBondContact O-N 3.25Å; E110-Q113 VanDerWaalsContact O-N 3.07Å; E110-L114 WeakPolarHBondContact O-CG 3.39Å; E110-L114 PolarHBondContact O-N 3.26Å
111F98.8Very high98Very high5 Ų522.6 Ų22.62%0.02213%0.127CC..Hα-helixtrans-54.7-45.5171.1169.5-96.4000111.2I21 Y24 Y26 P34 F105 G107 L108 F109 Q113 L114 S115 L141I21-F111 HydrophobicContact CD1-CD2 3.67Å; I21-F111 HydrophobicContact CD1-CE2 3.94Å; Y24-F111 HydrophobicContact CD1-CB 4.12Å; Y24-F111 HydrophobicContact CD2-CB 4.02Å; Y24-F111 HydrophobicContact CD2-CD2 4.07Å; Y24-F111 HydrophobicContact CE1-CB 4.48Å; Y24-F111 HydrophobicContact CE2-CB 4.4Å; Y24-F111 HydrophobicContact CG-CB 3.88Å; Y24-F111 HydrophobicContact CG-CD2 4.25Å; Y26-F111 HydrophobicContact CE2-CE1 4.1Å; Y26-F111 HydrophobicContact CE2-CE2 4.44Å; Y26-F111 HydrophobicContact CE2-CZ 4.03Å; Y26-F111 WeakPolarHBondContact OH-CE1 3.43Å; Y26-F111 WeakPolarHBondContact OH-CZ 3.38Å; P34-F111 HydrophobicContact CB-CE2 4.07Å; P34-F111 HydrophobicContact CG-CD2 4.29Å; P34-F111 HydrophobicContact CG-CE2 3.8Å; P34-F111 HydrophobicContact CG-CZ 4.49Å; F105-F111 HydrophobicContact CE2-CB 4.25Å; F105-F111 HydrophobicContact CZ-CB 4.33Å; F105-F111 HydrophobicContact CZ-CD1 4.18Å; F105-F111 HydrophobicContact CZ-CG 4.27Å; G107-F111 PolarHBondContact O-N 3.49Å; L108-F111 WeakPolarHBondContact O-CB 3.2Å; L108-F111 PolarHBondContact O-N 2.9Å; F109-F111 VanDerWaalsContact C-N 3.35Å; F109-F111 PolarHBondContact O-N 3.32Å; F111-Q113 VanDerWaalsContact C-N 3.35Å; F111-Q113 PolarHBondContact O-N 3.05Å; F111-L114 PolarHBondContact O-N 3.32Å; F111-S115 WeakPolarHBondContact O-CB 3.19Å; F111-S115 PolarHBondContact O-N 2.88Å; F111-S115 VanDerWaalsContact O-N 3.12Å; F111-L141 HydrophobicContact CE1-CD2 4Å; F111-L141 HydrophobicContact CZ-CD2 4.41Å
112C98.8Very high98.3Very high1 Ų117.5 Ų17.51%0.00710%0.1CC..Hα-helixtrans-63.8-39.9175.5-58.20000111.9M66 L108 F109 E110 A116 V155M66-C112 HydrophobicContact CE-CB 4.3Å; L108-C112 PolarHBondContact O-N 3.02Å; L108-C112 PolarHBondContact O-SG 2.93Å; F109-C112 WeakPolarHBondContact O-CA 3.32Å; F109-C112 VanDerWaalsContact O-CB 3.31Å; F109-C112 WeakPolarHBondContact O-CB 3.25Å; F109-C112 PolarHBondContact O-N 3.04Å; F109-C112 VanDerWaalsContact O-N 3.08Å; E110-C112 VanDerWaalsContact C-N 3.27Å; E110-C112 PolarHBondContact O-N 3.46Å; C112-A116 VanDerWaalsContact O-CB 3.26Å; C112-A116 WeakPolarHBondContact O-CB 3.29Å; C112-A116 PolarHBondContact O-N 3.44Å; C112-V155 HydrophobicContact CB-CB 4.19Å; C112-V155 HydrophobicContact CB-CG2 3.8Å
113Q98.8Very high98.4Very high29 Ų2917.4 Ų17.414%0.13610%0.099CC..Hα-helixtrans-63.9-42.2179.6-66.9-174.4-80.300112.6K60 A61 M66 F109 E110 F111 G117K60-Q113 HydrophobicContact CB-CB 3.88Å; K60-Q113 HydrophobicContact CG-CB 4.23Å; A61-Q113 WeakPolarHBondContact CB-O 3.46Å; A61-Q113 PolarHBondContact N-O 3.37Å; A61-Q113 VanDerWaalsContact O-CG 3.28Å; A61-Q113 WeakPolarHBondContact O-CG 3.37Å; A61-Q113 PolarHBondContact O-NE2 3.04Å; M66-Q113 HydrophobicContact CE-CB 4.15Å; M66-Q113 HydrophobicContact CE-CG 3.66Å; F109-Q113 HydrophobicContact CD1-CG 3.97Å; F109-Q113 VanDerWaalsContact CE1-CD 3.44Å; F109-Q113 HydrophobicContact CE1-CG 3.76Å; F109-Q113 HydrophobicContact CZ-CG 4.18Å; F109-Q113 VanDerWaalsContact O-CG 3.32Å; F109-Q113 WeakPolarHBondContact O-CG 3.47Å; F109-Q113 PolarHBondContact O-N 3.01Å; E110-Q113 WeakPolarHBondContact O-CB 3.4Å; E110-Q113 PolarHBondContact O-N 3.25Å; E110-Q113 VanDerWaalsContact O-N 3.07Å; F111-Q113 VanDerWaalsContact C-N 3.35Å; F111-Q113 PolarHBondContact O-N 3.05Å; Q113-G117 WeakPolarHBondContact O-CA 3.24Å; Q113-G117 PolarHBondContact O-N 3.04Å
114L98.7Very high98.4Very high2 Ų216.8 Ų16.81%0.0110%0.095CC..Hα-helixtrans-70.3-43.6179.1-66.7175.4000111.7D18 D20 I21 Y24 P58 K60 E110 F111 G117 G118D18-L114 HydrophobicContact CB-CD1 4.1Å; D18-L114 HydrophobicContact CB-CD2 3.87Å; D18-L114 HydrophobicContact CB-CG 4.48Å; D18-L114 WeakPolarHBondContact OD2-CD2 3.38Å; D20-L114 HydrophobicContact CB-CD1 4.42Å; I21-L114 HydrophobicContact CD1-CB 3.94Å; I21-L114 HydrophobicContact CD1-CD1 4.14Å; Y24-L114 HydrophobicContact CE2-CD1 3.75Å; P58-L114 HydrophobicContact CG-CD2 4.46Å; K60-L114 HydrophobicContact CG-CD2 3.96Å; E110-L114 WeakPolarHBondContact O-CG 3.39Å; E110-L114 PolarHBondContact O-N 3.26Å; F111-L114 PolarHBondContact O-N 3.32Å; L114-G117 PolarHBondContact O-N 2.86Å; L114-G118 PolarHBondContact O-N 3.47Å; L114-G118 VanDerWaalsContact O-N 3.11Å
115S97.8Very high98.4Very high2 Ų216.4 Ų16.41%0.0149%0.092CC..Hα-helixtrans-59.8-51.9176.6-179.40000111.3F111 S119 N136 A138 G139 L141F111-S115 WeakPolarHBondContact O-CB 3.19Å; F111-S115 PolarHBondContact O-N 2.88Å; F111-S115 VanDerWaalsContact O-N 3.12Å; S115-S119 PolarHBondContact O-N 2.74Å; S115-S119 PolarHBondContact O-OG 3.24Å; S115-N136 PolarHBondContact O-ND2 3.47Å; S115-A138 WeakPolarHBondContact CB-O 3.17Å; S115-A138 PolarHBondContact OG-O 3.31Å; S115-G139 WeakPolarHBondContact OG-CA 3.39Å; S115-L141 WeakPolarHBondContact OG-CD1 3.3Å
116A98.6Very high98.4Very high2 Ų215.9 Ų15.92%0.0179%0.09CC..Hα-helixtrans-66.6-38.7178.200000113.1A61 M66 C112 S119 A120 V155 D157 L160A61-A116 HydrophobicContact CB-CB 3.87Å; M66-A116 HydrophobicContact CE-CB 4.31Å; C112-A116 VanDerWaalsContact O-CB 3.26Å; C112-A116 WeakPolarHBondContact O-CB 3.29Å; C112-A116 PolarHBondContact O-N 3.44Å; A116-S119 PolarHBondContact O-N 3.33Å; A116-A120 WeakPolarHBondContact O-CB 3.35Å; A116-A120 PolarHBondContact O-N 3.3Å; A116-V155 HydrophobicContact CB-CG1 4.13Å; A116-D157 HydrophobicContact CB-CB 4.26Å; A116-L160 HydrophobicContact CB-CD1 4.25Å
117G98.4Very high98.4Very high0 Ų010.2 Ų10.20%06%0.059CC..Hα-helixtrans-62.4-43.4-179.600000112.7H59 Q113 L114 S119 A120 A121H59-G117 WeakPolarHBondContact O-CA 3.41Å; Q113-G117 WeakPolarHBondContact O-CA 3.24Å; Q113-G117 PolarHBondContact O-N 3.04Å; L114-G117 PolarHBondContact O-N 2.86Å; G117-S119 PolarHBondContact O-N 2.88Å; G117-A120 PolarHBondContact O-N 2.83Å; G117-A121 VanDerWaalsContact O-CB 3.23Å; G117-A121 WeakPolarHBondContact O-CB 3.28Å; G117-A121 PolarHBondContact O-N 3.33Å
118G98.5Very high98.4Very high0 Ų012.1 Ų12.10%06%0.058CC..Hα-helixtrans-62.1-42.1176.300000113.1L114 G122L114-G118 PolarHBondContact O-N 3.47Å; L114-G118 VanDerWaalsContact O-N 3.11Å; G118-G122 PolarHBondContact O-N 3.49Å
119S98.8Very high98.3Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-71-41179.5-57.80000111.7S115 A116 G117 S123 N136 D157 L300S115-S119 PolarHBondContact O-N 2.74Å; S115-S119 PolarHBondContact O-OG 3.24Å; A116-S119 PolarHBondContact O-N 3.33Å; G117-S119 PolarHBondContact O-N 2.88Å; S119-S123 PolarHBondContact O-N 2.85Å; S119-S123 PolarHBondContact O-OG 3.46Å; S119-N136 PolarHBondContact N-ND2 3.15Å; S119-N136 PolarHBondContact OG-ND2 2.94Å; S119-D157 WeakPolarHBondContact CB-OD2 3.29Å; S119-D157 PolarHBondContact OG-OD2 2.88Å; S119-L300 WeakPolarHBondContact OG-CD2 3.43Å
120A97.3Very high98.3Very high7 Ų722.2 Ų22.26%0.05811%0.105CC..Hα-helixtrans-64.6-48.1175.400000112.2A116 G117 G122 S123 V124A116-A120 WeakPolarHBondContact O-CB 3.35Å; A116-A120 PolarHBondContact O-N 3.3Å; G117-A120 PolarHBondContact O-N 2.83Å; A120-G122 VanDerWaalsContact C-N 3.34Å; A120-G122 PolarHBondContact O-N 3.32Å; A120-S123 PolarHBondContact O-N 3.18Å; A120-V124 WeakPolarHBondContact O-CG2 3.34Å; A120-V124 PolarHBondContact O-N 3.3Å
121A97.8Very high98.2Very high13 Ų1319 Ų1911%0.1079%0.091CC..Hα-helixtrans-62.5-40.8177.500000111.9Y16 G117 S123 V124 K125Y16-A121 HydrophobicContact CD1-CB 4.17Å; Y16-A121 HydrophobicContact CE1-CB 3.5Å; Y16-A121 PolarHBondContact OH-O 3.3Å; G117-A121 VanDerWaalsContact O-CB 3.23Å; G117-A121 WeakPolarHBondContact O-CB 3.28Å; G117-A121 PolarHBondContact O-N 3.33Å; A121-S123 PolarHBondContact O-N 2.87Å; A121-V124 PolarHBondContact O-N 2.98Å; A121-K125 PolarHBondContact O-N 2.63Å
122G98.5Very high98.2Very high0 Ų022.4 Ų22.40%011%0.109CC..Hα-helixtrans-56.6-47.8172.100000112.9Y16 G118 A120 K125 L126Y16-G122 VanDerWaalsContact CE2-CA 3.49Å; G118-G122 PolarHBondContact O-N 3.49Å; A120-G122 VanDerWaalsContact C-N 3.34Å; A120-G122 PolarHBondContact O-N 3.32Å; G122-K125 PolarHBondContact O-N 3.37Å; G122-L126 WeakPolarHBondContact O-CG 3.16Å; G122-L126 PolarHBondContact O-N 2.92Å
123S98.6Very high98.2Very high0 Ų022.4 Ų22.40%011%0.109CC..Hα-helixtrans-62.6-40.9175.4-72.60000113.4S119 A120 A121 L126 N127 A161S119-S123 PolarHBondContact O-N 2.85Å; S119-S123 PolarHBondContact O-OG 3.46Å; A120-S123 PolarHBondContact O-N 3.18Å; A121-S123 PolarHBondContact O-N 2.87Å; S123-L126 PolarHBondContact O-N 3.01Å; S123-N127 WeakPolarHBondContact O-CB 3.46Å; S123-N127 PolarHBondContact O-N 3.44Å; S123-A161 WeakPolarHBondContact OG-CA 3.38Å; S123-A161 WeakPolarHBondContact OG-CB 3.34Å; S123-A161 PolarHBondContact OG-O 3.09Å
124V98.4Very high98.2Very high4 Ų421 Ų212%0.02410%0.103CC..Hα-helixtrans-61.7-45.6176171.60000110.7A120 A121 L126 N127 R128 E164 V391A120-V124 WeakPolarHBondContact O-CG2 3.34Å; A120-V124 PolarHBondContact O-N 3.3Å; A121-V124 PolarHBondContact O-N 2.98Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.29Å; V124-N127 PolarHBondContact O-N 3.33Å; V124-R128 HydrophobicContact CG1-CG 4.37Å; V124-R128 WeakPolarHBondContact O-CB 3.3Å; V124-R128 WeakPolarHBondContact O-CG 3.42Å; V124-R128 PolarHBondContact O-N 2.87Å; V124-E164 HydrophobicContact CG2-CG 3.8Å; V124-V391 HydrophobicContact CG2-CB 4.28Å; V124-V391 HydrophobicContact CG2-CG2 4.01Å
125K98.3Very high98.2Very high8 Ų820.9 Ų20.94%0.03510%0.102CC..Hα-helixtrans-61.8-38176.5-88.5-139.8176.6-154.20113.2C14 Y16 E54 Y56 A121 G122 Q129 Q130 T131C14-K125 HydrophobicContact CB-CD 4.49Å; Y16-K125 WeakPolarHBondContact OH-CG 3.25Å; E54-K125 IonicContact OE2-NZ 2.89Å; E54-K125 PolarHBondContact OE2-NZ 3.2Å; Y56-K125 HydrophobicContact CE2-CD 4.37Å; Y56-K125 VanDerWaalsContact CE2-NZ 3.28Å; Y56-K125 PolarHBondContact OH-NZ 3.5Å; A121-K125 PolarHBondContact O-N 2.63Å; G122-K125 PolarHBondContact O-N 3.37Å; K125-Q129 PolarHBondContact O-N 3.42Å; K125-Q130 HydrophobicContact CD-CB 4.41Å; K125-Q130 PolarHBondContact O-N 3.35Å; K125-T131 HydrophobicContact CB-CG2 3.98Å
126L98.4Very high98.3Very high2 Ų220.9 Ų20.91%0.0110%0.102CC..Hα-helixtrans-65.7-46.5174.8-70.6167.8000111.4G122 S123 V124 R128 Q129 T131 D132 A134 L165 P296 L298G122-L126 WeakPolarHBondContact O-CG 3.16Å; G122-L126 PolarHBondContact O-N 2.92Å; S123-L126 PolarHBondContact O-N 3.01Å; V124-L126 VanDerWaalsContact C-N 3.32Å; V124-L126 PolarHBondContact O-N 3.29Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 2.67Å; L126-Q129 PolarHBondContact O-N 2.84Å; L126-T131 HydrophobicContact CD2-CG2 3.73Å; L126-T131 HydrophobicContact CG-CG2 4.09Å; L126-D132 WeakPolarHBondContact CD2-O 2.87Å; L126-A134 HydrophobicContact CD1-CB 4.05Å; L126-A134 HydrophobicContact CD2-CB 4.5Å; L126-A134 HydrophobicContact CG-CB 4.11Å; L126-L165 HydrophobicContact CB-CD2 4.09Å; L126-L165 HydrophobicContact CD1-CD2 4.38Å; L126-P296 HydrophobicContact CB-CB 4.44Å; L126-P296 HydrophobicContact CD2-CB 3.94Å; L126-L298 HydrophobicContact CD1-CB 3.78Å
127N98.3Very high98.3Very high6 Ų620.8 Ų20.83%0.03210%0.101CC..Hα-helixtrans-58.8-41176.4-80.4-19.4000112.5S123 V124 Q129 E164 L165 Y168 H169S123-N127 WeakPolarHBondContact O-CB 3.46Å; S123-N127 PolarHBondContact O-N 3.44Å; V124-N127 PolarHBondContact O-N 3.33Å; N127-Q129 PolarHBondContact O-N 3.35Å; N127-E164 PolarHBondContact ND2-O 3.4Å; N127-L165 WeakPolarHBondContact OD1-CA 3.41Å; N127-Y168 HydrophobicContact CB-CD2 3.55Å; N127-Y168 HydrophobicContact CB-CE2 3.9Å; N127-Y168 HydrophobicContact CB-CG 4.1Å; N127-Y168 WeakPolarHBondContact ND2-CD2 3.23Å; N127-H169 PolarHBondContact OD1-CD2 2.82Å; N127-H169 VanDerWaalsContact OD1-CD2 3.29Å
128R97.6Very high98.3Very high68 Ų6821.3 Ų21.326%0.25711%0.105SC..THydrogen-bonded Turntrans-74.7-0.3176.7-67.7-179.1-179.8-169.5-0.4113.6V124 L126 Q130 D389V124-R128 HydrophobicContact CG1-CG 4.37Å; V124-R128 WeakPolarHBondContact O-CB 3.3Å; V124-R128 WeakPolarHBondContact O-CG 3.42Å; V124-R128 PolarHBondContact O-N 2.87Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 2.67Å; R128-Q130 HydrophobicContact CB-CG 3.89Å; R128-Q130 PolarHBondContact O-N 2.9Å; R128-D389 IonicContact CZ-OD2 2.7Å; R128-D389 IonicContact NE-OD2 3.77Å; R128-D389 PolarHBondContact NE-OD2 3.11Å; R128-D389 VanDerWaalsContact NE-OD2 3.12Å; R128-D389 IonicContact NH2-OD2 3.78Å; R128-D389 PolarHBondContact NH2-OD2 3Å
129Q97.3Very high98.3Very high178 Ų17821.3 Ų21.383%0.83211%0.105SC*.THydrogen-bonded Turntrans56.530.2-179.1-55.1173.719.400112.6K125 L126 N127K125-Q129 PolarHBondContact O-N 3.42Å; L126-Q129 PolarHBondContact O-N 2.84Å; N127-Q129 PolarHBondContact O-N 3.35Å
130Q97.2Very high98.3Very high65 Ų6521.4 Ų21.430%0.30411%0.106SC..SBendtrans-90.3-10.2179.9-69.1178.8-1800112.8K12 K125 R128K12-Q130 VanDerWaalsContact CD-O 3.29Å; K12-Q130 WeakPolarHBondContact CD-O 3.19Å; K12-Q130 WeakPolarHBondContact CE-O 3.08Å; K12-Q130 PolarHBondContact NZ-O 3.17Å; K125-Q130 HydrophobicContact CD-CB 4.41Å; K125-Q130 PolarHBondContact O-N 3.35Å; R128-Q130 HydrophobicContact CB-CG 3.89Å; R128-Q130 PolarHBondContact O-N 2.9Å
131T98Very high98.4Very high8 Ų821.7 Ų21.75%0.04911%0.107CC..  trans-149.5153.3176.7-161.50000110.2K12 C14 K125 L126 I133 A134K12-T131 PolarHBondContact O-OG1 3.38Å; K12-T131 VanDerWaalsContact O-OG1 3.04Å; C14-T131 HydrophobicContact CB-CG2 4.41Å; C14-T131 PolarHBondContact N-OG1 3.44Å; C14-T131 VanDerWaalsContact SG-CB 3.5Å; C14-T131 PolarHBondContact SG-OG1 3.39Å; K125-T131 HydrophobicContact CB-CG2 3.98Å; L126-T131 HydrophobicContact CD2-CG2 3.73Å; L126-T131 HydrophobicContact CG-CG2 4.09Å; T131-I133 PolarHBondContact OG1-O 3.44Å; T131-A134 HydrophobicContact CG2-CB 4.29Å
132D98.6Very high98.4Very high76 Ų7621.3 Ų21.341%0.40610%0.103SC..SBendtrans-90.3-36.1173.6-60.9-66.6000111.2K11 K12 L126 P296 L297K11-D132 WeakPolarHBondContact CA-OD2 3.46Å; K11-D132 HydrophobicContact CB-CB 3.89Å; K11-D132 HydrophobicContact CD-CB 4.2Å; K11-D132 HydrophobicContact CG-CB 4.12Å; K12-D132 PolarHBondContact N-OD2 3.24Å; K12-D132 PolarHBondContact O-N 2.88Å; K12-D132 VanDerWaalsContact O-N 3.08Å; L126-D132 WeakPolarHBondContact CD2-O 2.87Å; D132-P296 WeakPolarHBondContact O-CA 3.4Å; D132-L297 PolarHBondContact O-N 3.04Å
133I98.9Very high98.5Very high0 Ų021.6 Ų21.60%010%0.104CC..EExtended strand (participates in β ladder)trans-127.7134.6179.1-54.2177.5000108.9K11 K12 V13 C14 T131 V135 K291 L297 M299 A321K11-I133 HydrophobicContact CB-CD1 4.31Å; K11-I133 HydrophobicContact CD-CD1 3.91Å; K11-I133 HydrophobicContact CD-CG1 4.17Å; K12-I133 PolarHBondContact O-N 3.38Å; V13-I133 WeakPolarHBondContact CA-O 3.39Å; V13-I133 HydrophobicContact CG1-CB 4.47Å; V13-I133 HydrophobicContact CG1-CG2 4.45Å; V13-I133 HydrophobicContact CG2-CB 4.2Å; V13-I133 HydrophobicContact CG2-CD1 4.39Å; C14-I133 PolarHBondContact N-O 3.24Å; T131-I133 PolarHBondContact OG1-O 3.44Å; I133-V135 HydrophobicContact CG2-CG2 4.01Å; I133-K291 HydrophobicContact CD1-CD 4.31Å; I133-K291 HydrophobicContact CD1-CG 4.28Å; I133-L297 CarbonylContact C-O 3.54Å; I133-L297 VanDerWaalsContact CA-O 3.25Å; I133-L297 WeakPolarHBondContact CA-O 3.3Å; I133-L297 HydrophobicContact CG1-CB 4.32Å; I133-M299 HydrophobicContact CG2-CG 4.28Å; I133-M299 HydrophobicContact CG2-SD 3.87Å; I133-A321 HydrophobicContact CD1-CB 4.18Å; I133-A321 HydrophobicContact CG2-CB 4.41Å
134A98.9Very high98.5Very high0 Ų021.6 Ų21.60%010%0.104CC..EExtended strand (participates in β ladder)trans-118.7137168.100000109.2C14 Y16 L126 T131 L297 L298 M299C14-A134 CarbonylContact O-C 3.55Å; C14-A134 WeakPolarHBondContact O-CA 3.41Å; Y16-A134 HydrophobicContact CE2-CB 4.33Å; L126-A134 HydrophobicContact CD1-CB 4.05Å; L126-A134 HydrophobicContact CD2-CB 4.5Å; L126-A134 HydrophobicContact CG-CB 4.11Å; T131-A134 HydrophobicContact CG2-CB 4.29Å; A134-L297 PolarHBondContact N-O 3.05Å; A134-L298 HydrophobicContact CB-CD1 3.8Å; A134-L298 CarbonylContact O-C 3.55Å; A134-L298 WeakPolarHBondContact O-CA 3.3Å; A134-M299 PolarHBondContact O-N 2.85Å
135V98.9Very high98.5Very high0 Ų022.1 Ų22.10%011%0.106CC..EExtended strand (participates in β ladder)trans-124.3124.3-176.4-1760000109.8V13 C14 Y15 Y16 I133 W137 M299V13-V135 HydrophobicContact CG1-CG2 4Å; C14-V135 PolarHBondContact O-N 3.27Å; Y15-V135 WeakPolarHBondContact CA-O 3.44Å; Y15-V135 HydrophobicContact CD2-CB 4.05Å; Y15-V135 HydrophobicContact CD2-CG1 3.94Å; Y15-V135 HydrophobicContact CE2-CG1 4.49Å; Y16-V135 PolarHBondContact N-O 3.35Å; I133-V135 HydrophobicContact CG2-CG2 4.01Å; V135-W137 HydrophobicContact CG1-CD2 3.75Å; V135-W137 HydrophobicContact CG1-CE3 4.32Å; V135-W137 HydrophobicContact CG1-CG 4.22Å; V135-W137 HydrophobicContact CG1-CH2 4.19Å; V135-W137 HydrophobicContact CG1-CZ2 3.55Å; V135-M299 WeakPolarHBondContact CA-O 3.23Å; V135-M299 HydrophobicContact CG1-CB 4.49Å; V135-M299 HydrophobicContact CG2-CB 4.25Å; V135-M299 HydrophobicContact CG2-SD 4.34Å
136N98.9Very high98.5Very high1 Ų127 Ų271%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-134.195171.7176.624.9000110.7S115 S119 A138 G139 M299 L300 G301S115-N136 PolarHBondContact O-ND2 3.47Å; S119-N136 PolarHBondContact N-ND2 3.15Å; S119-N136 PolarHBondContact OG-ND2 2.94Å; N136-A138 PolarHBondContact O-N 2.85Å; N136-A138 WeakPolarHBondContact OD1-CB 3.45Å; N136-A138 PolarHBondContact OD1-N 2.84Å; N136-A138 VanDerWaalsContact OD1-N 3.16Å; N136-G139 PolarHBondContact ND2-N 3.35Å; N136-G139 PolarHBondContact O-N 2.8Å; N136-M299 PolarHBondContact N-O 3.1Å; N136-L300 HydrophobicContact CB-CD2 3.92Å; N136-L300 WeakPolarHBondContact O-CA 3.49Å; N136-G301 PolarHBondContact O-N 3.19Å
137W98.9Very high98.5Very high1 Ų129.2 Ų29.20%0.00414%0.143CC..THydrogen-bonded Turntrans-71.6-13.4179.3-61.2137.2000114.1Y15 V135 G139 C263 M299 L300 W314 E317 T318Y15-W137 AromaticContact CE2-CD1 3.54Å; Y15-W137 HydrophobicContact CE2-CG 4.4Å; V135-W137 HydrophobicContact CG1-CD2 3.75Å; V135-W137 HydrophobicContact CG1-CE3 4.32Å; V135-W137 HydrophobicContact CG1-CG 4.22Å; V135-W137 HydrophobicContact CG1-CH2 4.19Å; V135-W137 HydrophobicContact CG1-CZ2 3.55Å; W137-G139 VanDerWaalsContact C-N 3.34Å; W137-C263 HydrophobicContact CH2-CB 4.48Å; W137-C263 HydrophobicContact CZ3-CB 3.91Å; W137-M299 HydrophobicContact CH2-CB 4.42Å; W137-M299 HydrophobicContact CH2-CE 3.63Å; W137-M299 HydrophobicContact CZ2-CE 4.17Å; W137-L300 WeakPolarHBondContact CZ3-O 3.39Å; W137-W314 HydrophobicContact CB-CD2 4.33Å; W137-W314 HydrophobicContact CB-CE3 3.78Å; W137-W314 HydrophobicContact CB-CZ3 3.98Å; W137-W314 HydrophobicContact CD2-CB 3.84Å; W137-W314 HydrophobicContact CD2-CD2 4.11Å; W137-W314 HydrophobicContact CD2-CE3 4.42Å; W137-W314 AromaticContact CD2-CG 3.87Å; W137-W314 HydrophobicContact CD2-CG 3.87Å; W137-W314 HydrophobicContact CE3-CB 4.26Å; W137-W314 AromaticContact CE3-CD1 3.87Å; W137-W314 HydrophobicContact CE3-CD2 4.02Å; W137-W314 AromaticContact CE3-CG 3.83Å; W137-W314 HydrophobicContact CE3-CG 3.83Å; W137-W314 HydrophobicContact CG-CB 4.19Å; W137-W314 HydrophobicContact CG-CD2 4.26Å; W137-W314 HydrophobicContact CG-CE3 4.08Å; W137-W314 HydrophobicContact CG-CG 4.34Å; W137-W314 HydrophobicContact CH2-CB 4.41Å; W137-W314 HydrophobicContact CH2-CG 4.42Å; W137-W314 HydrophobicContact CZ2-CB 4.03Å; W137-W314 HydrophobicContact CZ2-CG 4.47Å; W137-W314 WeakPolarHBondContact CZ2-O 3.38Å; W137-W314 AromaticContact CZ3-CD1 3.78Å; W137-W314 HydrophobicContact CZ3-CG 4.13Å; W137-W314 WeakPolarHBondContact O-CH2 3.35Å; W137-E317 HydrophobicContact CH2-CB 4.03Å; W137-E317 HydrophobicContact CZ2-CB 4.24Å; W137-T318 WeakPolarHBondContact CZ2-OG1 3.38Å; W137-T318 PolarHBondContact NE1-OG1 2.87Å
138A98.8Very high98.5Very high11 Ų1132.9 Ų32.99%0.09116%0.159CC..THydrogen-bonded Turntrans-81.3-15.6173.100000113.5I21 I37 S115 N136 L141I21-A138 HydrophobicContact CD1-CB 4.2Å; I21-A138 HydrophobicContact CG1-CB 3.89Å; I37-A138 HydrophobicContact CD1-CB 3.9Å; I37-A138 HydrophobicContact CG2-CB 4.48Å; S115-A138 WeakPolarHBondContact CB-O 3.17Å; S115-A138 PolarHBondContact OG-O 3.31Å; N136-A138 PolarHBondContact O-N 2.85Å; N136-A138 WeakPolarHBondContact OD1-CB 3.45Å; N136-A138 PolarHBondContact OD1-N 2.84Å; N136-A138 VanDerWaalsContact OD1-N 3.16Å; A138-L141 WeakPolarHBondContact O-CD1 3.16Å
139G98.7Very high98.5Very high0 Ų029.6 Ų29.60%015%0.147CC..  trans-86.4-166.2176.200000113.5S115 N136 W137 D157 G301 G302S115-G139 WeakPolarHBondContact OG-CA 3.39Å; N136-G139 PolarHBondContact ND2-N 3.35Å; N136-G139 PolarHBondContact O-N 2.8Å; W137-G139 VanDerWaalsContact C-N 3.34Å; G139-D157 WeakPolarHBondContact CA-OD2 3.45Å; G139-G301 CarbonylContact O-C 3.57Å; G139-G301 WeakPolarHBondContact O-CA 3.43Å; G139-G301 PolarHBondContact O-N 3.49Å; G139-G302 PolarHBondContact O-N 2.84Å
140G98.7Very high98.6Very high1 Ų121.9 Ų21.91%0.0111%0.113CC..  trans90.723.617800000114H142 D157 Q262G140-H142 VanDerWaalsContact C-N 3.28Å; G140-H142 PolarHBondContact O-N 3.42Å; G140-D157 PolarHBondContact N-OD1 3.49Å; G140-D157 VanDerWaalsContact N-OD1 3.11Å; G140-D157 PolarHBondContact N-OD2 3.46Å; G140-Q262 PolarHBondContact O-NE2 3.32Å
141L98.8Very high98.6Very high14 Ų1419.3 Ų19.37%0.07310%0.104CC..  trans-8270.9-176.3-78.871.6000111.1F111 S115 A138 H143 C153 D157F111-L141 HydrophobicContact CE1-CD2 4Å; F111-L141 HydrophobicContact CZ-CD2 4.41Å; S115-L141 WeakPolarHBondContact OG-CD1 3.3Å; A138-L141 WeakPolarHBondContact O-CD1 3.16Å; L141-H143 PolarHBondContact O-N 3.03Å; L141-C153 VanDerWaalsContact C-SG 3.52Å; L141-C153 VanDerWaalsContact CA-SG 3.53Å; L141-C153 HydrophobicContact CB-CB 3.86Å; L141-C153 HydrophobicContact CG-CB 4.42Å; L141-D157 PolarHBondContact N-OD1 3.2Å
142H98.8Very high98.6Very high5 Ų520.1 Ų20.12%0.02311%0.107CC..THydrogen-bonded Turntrans-73-15.2-165.465.4175.3000116.6G140 N156 I158 D176 D178 G182 G184 V185G140-H142 VanDerWaalsContact C-N 3.28Å; G140-H142 PolarHBondContact O-N 3.42Å; H142-N156 PolarHBondContact O-ND2 2.92Å; H142-I158 HydrophobicContact CB-CD1 3.57Å; H142-D176 IonicContact CE1-OD1 3.16Å; H142-D176 IonicContact CE1-OD2 2.78Å; H142-D176 IonicContact CG-OD2 3.64Å; H142-D176 IonicContact ND1-OD1 2.67Å; H142-D176 IonicContact ND1-OD2 2.71Å; H142-D176 PolarHBondContact ND1-OD2 2.96Å; H142-D178 VanDerWaalsContact CE1-CB 3.44Å; H142-D178 WeakPolarHBondContact CE1-CB 3.47Å; H142-D178 VanDerWaalsContact CE1-CG 3.41Å; H142-D178 IonicContact CE1-OD1 3.02Å; H142-D178 IonicContact CE1-OD2 2.94Å; H142-D178 IonicContact NE2-OD1 3.37Å; H142-D178 IonicContact NE2-OD2 3.67Å; H142-G182 WeakPolarHBondContact ND1-CA 3.43Å; H142-G184 WeakPolarHBondContact O-CA 3.45Å; H142-G184 PolarHBondContact O-N 3.42Å; H142-V185 HydrophobicContact CB-CG2 4.01Å; H142-V185 PolarHBondContact O-N 2.98Å
143H98.9Very high98.6Very high5 Ų516.9 Ų16.92%0.0239%0.09CC..THydrogen-bonded Turntrans-85.6-18.7-176-68.3-47.1000113.7L141 K145 S150 C153 H180 H181 D183 F207L141-H143 PolarHBondContact O-N 3.03Å; H143-K145 WeakPolarHBondContact O-CE 3.43Å; H143-K145 PolarHBondContact O-N 3.27Å; H143-S150 WeakPolarHBondContact CB-O 3.11Å; H143-S150 WeakPolarHBondContact O-CB 3.36Å; H143-C153 HydrophobicContact CB-CB 4Å; H143-H180 WeakPolarHBondContact NE2-CB 3.26Å; H143-H180 AromaticContact NE2-CG 3.9Å; H143-H181 PolarHBondContact CE1-O 3.05Å; H143-H181 VanDerWaalsContact CE1-O 3.25Å; H143-D183 IonicContact CE1-OD1 3.96Å; H143-D183 IonicContact CG-OD1 3.39Å; H143-D183 IonicContact ND1-OD1 3.58Å; H143-D183 PolarHBondContact ND1-OD1 3.25Å; H143-F207 AromaticContact CD2-CE1 3.68Å; H143-F207 AromaticContact CE1-CE1 3.62Å; H143-F207 AromaticContact CG-CE1 3.86Å; H143-F207 AromaticContact ND1-CE1 3.81Å; H143-F207 AromaticContact NE2-CD1 3.88Å; H143-F207 AromaticContact NE2-CE1 3.48Å; H143-F207 WeakPolarHBondContact NE2-CE1 3.37Å
144A98.8Very high98.6Very high0 Ų016.9 Ų16.90%09%0.09CC..  trans-60.9130.1-17700000110.8C153 N156A144-C153 HydrophobicContact CB-CB 3.74Å; A144-N156 HydrophobicContact CB-CB 3.79Å; A144-N156 PolarHBondContact O-ND2 3.05Å
145K98.6Very high98.6Very high15 Ų1517 Ų177%0.0659%0.091CC..  trans-96.7175.1-178.6-54.2-58.5-175.6161.30110.6H70 H143 S147 E148 D183 E187H70-K145 PolarHBondContact CE1-O 3.09Å; H70-K145 PolarHBondContact ND1-O 2.86Å; H143-K145 WeakPolarHBondContact O-CE 3.43Å; H143-K145 PolarHBondContact O-N 3.27Å; K145-S147 VanDerWaalsContact C-N 3.27Å; K145-S147 PolarHBondContact O-N 3.29Å; K145-E148 HydrophobicContact CB-CG 3.57Å; K145-E148 HydrophobicContact CG-CG 3.76Å; K145-E148 PolarHBondContact N-O 3.2Å; K145-D183 WeakPolarHBondContact CE-OD2 3.37Å; K145-D183 PolarHBondContact NZ-O 3.13Å; K145-D183 IonicContact NZ-OD1 3.42Å; K145-D183 IonicContact NZ-OD2 2.9Å; K145-D183 PolarHBondContact NZ-OD2 3.06Å; K145-E187 WeakPolarHBondContact CD-OE2 3.47Å; K145-E187 IonicContact NZ-OE2 2.77Å; K145-E187 PolarHBondContact NZ-OE2 2.7Å
146K98.6Very high98.6Very high111 Ų11117 Ų1748%0.4839%0.091SC..SBendtrans-58.4-39.5-179.8-176.7165.2-176.81700112.8Y69 H70 S71Y69-K146 HydrophobicContact CE1-CB 4.43Å; Y69-K146 HydrophobicContact CE2-CB 4.09Å; Y69-K146 HydrophobicContact CE2-CG 4.38Å; Y69-K146 WeakPolarHBondContact O-CE 3.4Å; Y69-K146 WeakPolarHBondContact O-CG 3.36Å; Y69-K146 PolarHBondContact OH-N 3.01Å; H70-K146 VanDerWaalsContact CA-O 3.25Å; H70-K146 WeakPolarHBondContact CA-O 3.24Å; H70-K146 PolarHBondContact ND1-O 3.37Å; S71-K146 PolarHBondContact N-O 2.85Å
147S98.5Very high98.6Very high48 Ų4817 Ų1734%0.3369%0.091SC..SBendtrans-134.521.4-173.1-48.80000113.4S71 F96 K145S71-S147 PolarHBondContact OG-OG 3.37Å; F96-S147 WeakPolarHBondContact CD1-O 3.35Å; K145-S147 VanDerWaalsContact C-N 3.27Å; K145-S147 PolarHBondContact O-N 3.29Å
148E97.9Very high98.6Very high83 Ų8317 Ų1739%0.3889%0.091SC..SBendtrans-156.9151.9176.360.1-176.9154.500111.3F96 N97 K145F96-E148 WeakPolarHBondContact O-CA 3.46Å; N97-E148 HydrophobicContact CB-CB 4.23Å; K145-E148 HydrophobicContact CB-CG 3.57Å; K145-E148 HydrophobicContact CG-CG 3.76Å; K145-E148 PolarHBondContact N-O 3.2Å
149A98.7Very high98.6Very high0 Ų016.5 Ų16.50%09%0.087CC..  trans-78.5153.5168.900000110.1Y74 F96 N97 V98 C102 C153 Y154Y74-A149 WeakPolarHBondContact OH-CA 3.29Å; Y74-A149 PolarHBondContact OH-N 3.44Å; F96-A149 PolarHBondContact O-N 2.73Å; N97-A149 WeakPolarHBondContact CB-O 3.36Å; N97-A149 PolarHBondContact ND2-O 3.17Å; V98-A149 HydrophobicContact CG2-CB 3.71Å; C102-A149 HydrophobicContact CB-CB 3.91Å; A149-C153 CarbonylContact C-O 3.5Å; A149-C153 VanDerWaalsContact CA-O 3.24Å; A149-C153 WeakPolarHBondContact CA-O 3.45Å; A149-C153 WeakPolarHBondContact CB-O 3.2Å; A149-Y154 HydrophobicContact CB-CD1 3.76Å; A149-Y154 HydrophobicContact CB-CE1 4.31Å; A149-Y154 HydrophobicContact CB-CG 4.45Å
150S98.5Very high98.6Very high16 Ų1617.2 Ų17.211%0.1129%0.09CC..BIsolated β-bridgetrans-160.5144.8176.1-173.10000109.9H143 F152 C153 F207H143-S150 WeakPolarHBondContact CB-O 3.11Å; H143-S150 WeakPolarHBondContact O-CB 3.36Å; S150-F152 PolarHBondContact O-N 3.1Å; S150-C153 PolarHBondContact N-O 2.76Å; S150-C153 WeakPolarHBondContact O-CA 3.39Å; S150-C153 VanDerWaalsContact O-CB 3.24Å; S150-C153 WeakPolarHBondContact O-CB 3.4Å; S150-C153 PolarHBondContact O-N 2.71Å; S150-F207 WeakPolarHBondContact OG-CZ 3.33Å
151G97Very high98.6Very high11 Ų1117.1 Ų17.111%0.1139%0.09CC..THydrogen-bonded Turntrans49.649.8172.800000114.3C153G151-C153 PolarHBondContact O-N 3.36Å; G151-C153 VanDerWaalsContact O-N 3.14Å; G151-C153 PolarHBondContact O-SG 2.76Å
152F98.3Very high98.6Very high25 Ų2516.5 Ų16.511%0.119%0.086CC..THydrogen-bonded Turntrans69.50.4-177.6-38.9-40.9000115.9Y26 H30 P31 M32 D101 C102 S150 Y154 L273 Y305Y26-F152 HydrophobicContact CE1-CB 4.01Å; Y26-F152 PolarHBondContact OH-O 3.36Å; H30-F152 AromaticContact CE1-CD1 3.31Å; H30-F152 WeakPolarHBondContact CE1-CD1 3.46Å; H30-F152 AromaticContact CE1-CE1 3.55Å; H30-F152 AromaticContact CE1-CG 3.83Å; H30-F152 AromaticContact NE2-CD1 3.4Å; H30-F152 WeakPolarHBondContact NE2-CD1 3.2Å; H30-F152 AromaticContact NE2-CE1 3.46Å; H30-F152 WeakPolarHBondContact NE2-CE1 3.23Å; P31-F152 HydrophobicContact CG-CE1 4.39Å; P31-F152 HydrophobicContact CG-CE2 4.05Å; P31-F152 HydrophobicContact CG-CZ 3.7Å; M32-F152 HydrophobicContact CB-CB 4.36Å; M32-F152 HydrophobicContact CB-CD2 4.32Å; M32-F152 HydrophobicContact CB-CG 4.3Å; M32-F152 HydrophobicContact CE-CB 4.26Å; M32-F152 HydrophobicContact CE-CD2 4.28Å; D101-F152 HydrophobicContact CB-CE1 4.35Å; D101-F152 WeakPolarHBondContact O-CD1 3.42Å; C102-F152 PolarHBondContact SG-N 3.13Å; S150-F152 PolarHBondContact O-N 3.1Å; F152-Y154 WeakPolarHBondContact O-CE2 3.44Å; F152-L273 HydrophobicContact CE2-CD1 4.07Å; F152-L273 HydrophobicContact CZ-CD1 4.35Å; F152-Y305 AromaticContact CD2-CE1 3.9Å; F152-Y305 HydrophobicContact CD2-CE1 3.9Å; F152-Y305 WeakPolarHBondContact CD2-OH 3.14Å; F152-Y305 AromaticContact CE2-CE1 3.72Å; F152-Y305 HydrophobicContact CE2-CE1 3.72Å; F152-Y305 AromaticContact CE2-CZ 3.84Å
153C98.8Very high98.6Very high7 Ų719 Ų195%0.04710%0.099CC..BIsolated β-bridgetrans-104.9127.5-174.8-56.90000111L141 H143 A144 A149 S150 G151L141-C153 VanDerWaalsContact C-SG 3.52Å; L141-C153 VanDerWaalsContact CA-SG 3.53Å; L141-C153 HydrophobicContact CB-CB 3.86Å; L141-C153 HydrophobicContact CG-CB 4.42Å; H143-C153 HydrophobicContact CB-CB 4Å; A144-C153 HydrophobicContact CB-CB 3.74Å; A149-C153 CarbonylContact C-O 3.5Å; A149-C153 VanDerWaalsContact CA-O 3.24Å; A149-C153 WeakPolarHBondContact CA-O 3.45Å; A149-C153 WeakPolarHBondContact CB-O 3.2Å; S150-C153 PolarHBondContact N-O 2.76Å; S150-C153 WeakPolarHBondContact O-CA 3.39Å; S150-C153 VanDerWaalsContact O-CB 3.24Å; S150-C153 WeakPolarHBondContact O-CB 3.4Å; S150-C153 PolarHBondContact O-N 2.71Å; G151-C153 PolarHBondContact O-N 3.36Å; G151-C153 VanDerWaalsContact O-N 3.14Å; G151-C153 PolarHBondContact O-SG 2.76Å
154Y98.8Very high98.6Very high0 Ų018.9 Ų18.90%010%0.099CC..SBendtrans-107.5-48.2-179.2-53.3-90.7000112Y26 Y74 L78 V98 C102 P103 F105 L108 A149 F152Y26-Y154 AromaticContact CE1-CE2 3.8Å; Y26-Y154 HydrophobicContact CE1-CE2 3.8Å; Y26-Y154 AromaticContact CZ-CE2 3.91Å; Y74-Y154 VanDerWaalsContact CE1-O 3.23Å; Y74-Y154 WeakPolarHBondContact CE1-O 3.48Å; Y74-Y154 WeakPolarHBondContact OH-CA 3.39Å; Y74-Y154 PolarHBondContact OH-O 2.99Å; L78-Y154 HydrophobicContact CD2-CD1 4.27Å; V98-Y154 HydrophobicContact CG2-CD1 4.22Å; V98-Y154 HydrophobicContact CG2-CE1 4.31Å; C102-Y154 WeakPolarHBondContact CA-OH 3.46Å; C102-Y154 HydrophobicContact CB-CD1 4.43Å; C102-Y154 HydrophobicContact CB-CE1 3.64Å; P103-Y154 WeakPolarHBondContact CD-OH 3.37Å; P103-Y154 PolarHBondContact O-OH 3.46Å; F105-Y154 HydrophobicContact CE1-CE2 4.12Å; L108-Y154 HydrophobicContact CD1-CD1 3.86Å; L108-Y154 HydrophobicContact CD1-CD2 3.59Å; L108-Y154 HydrophobicContact CD1-CE1 3.69Å; L108-Y154 HydrophobicContact CD1-CE2 3.42Å; L108-Y154 VanDerWaalsContact CD1-CE2 3.42Å; L108-Y154 HydrophobicContact CD1-CG 3.81Å; L108-Y154 VanDerWaalsContact CD1-CZ 3.49Å; L108-Y154 HydrophobicContact CD2-CD1 4.32Å; L108-Y154 HydrophobicContact CD2-CE1 4.16Å; A149-Y154 HydrophobicContact CB-CD1 3.76Å; A149-Y154 HydrophobicContact CB-CE1 4.31Å; A149-Y154 HydrophobicContact CB-CG 4.45Å; F152-Y154 WeakPolarHBondContact O-CE2 3.44Å
155V98.9Very high98.6Very high4 Ų418.9 Ų18.92%0.02410%0.099CC..SBendtrans-116.3132.3176.4173.60000108M66 I75 L78 C112 A116 D157 L160M66-V155 HydrophobicContact CG-CG1 4.17Å; M66-V155 HydrophobicContact SD-CG1 4.37Å; M66-V155 HydrophobicContact SD-CG2 3.97Å; I75-V155 HydrophobicContact CD1-CG2 4.14Å; L78-V155 HydrophobicContact CD1-CG2 3.91Å; C112-V155 HydrophobicContact CB-CB 4.19Å; C112-V155 HydrophobicContact CB-CG2 3.8Å; A116-V155 HydrophobicContact CB-CG1 4.13Å; V155-D157 PolarHBondContact O-N 2.96Å; V155-L160 HydrophobicContact CG1-CD1 3.88Å
156N98.9Very high98.6Very high0 Ų019.2 Ų19.20%010%0.101CC..  trans-87.885.5179.9-159.8-47.5000109.2Y69 H70 H142 A144 I158 V159 L160Y69-N156 HydrophobicContact CD1-CB 4.37Å; Y69-N156 HydrophobicContact CE1-CB 4.11Å; H70-N156 PolarHBondContact CE1-N 3.38Å; H70-N156 PolarHBondContact NE2-N 3.17Å; H142-N156 PolarHBondContact O-ND2 2.92Å; A144-N156 HydrophobicContact CB-CB 3.79Å; A144-N156 PolarHBondContact O-ND2 3.05Å; N156-I158 PolarHBondContact O-N 3.47Å; N156-I158 WeakPolarHBondContact OD1-CB 3.45Å; N156-I158 PolarHBondContact OD1-N 3.3Å; N156-V159 HydrophobicContact CB-CB 4.21Å; N156-V159 HydrophobicContact CB-CG2 4.14Å; N156-V159 VanDerWaalsContact CG-CG2 3.49Å; N156-V159 PolarHBondContact O-N 3.38Å; N156-V159 WeakPolarHBondContact OD1-CG2 3.14Å; N156-V159 PolarHBondContact OD1-N 2.83Å; N156-L160 PolarHBondContact O-N 2.92Å
157D98.9Very high98.6Very high1 Ų115.5 Ų15.51%0.0059%0.085CC..Hα-helixtrans-59.2-30.6179.368.3-67.9000112.3A116 S119 G139 G140 L141 V155 L160 A161A116-D157 HydrophobicContact CB-CB 4.26Å; S119-D157 WeakPolarHBondContact CB-OD2 3.29Å; S119-D157 PolarHBondContact OG-OD2 2.88Å; G139-D157 WeakPolarHBondContact CA-OD2 3.45Å; G140-D157 PolarHBondContact N-OD1 3.49Å; G140-D157 VanDerWaalsContact N-OD1 3.11Å; G140-D157 PolarHBondContact N-OD2 3.46Å; L141-D157 PolarHBondContact N-OD1 3.2Å; V155-D157 PolarHBondContact O-N 2.96Å; D157-L160 PolarHBondContact O-N 2.96Å; D157-A161 VanDerWaalsContact O-CB 3.25Å; D157-A161 WeakPolarHBondContact O-CB 3.48Å; D157-A161 PolarHBondContact O-N 2.93Å
158I98.9Very high98.5Very high0 Ų018.1 Ų18.10%09%0.088CC..Hα-helixtrans-66.2-48179.5-43.4-176.4000110.8H142 N156 L160 A161 I162 Y174 V185 V260 Q262 L300H142-I158 HydrophobicContact CB-CD1 3.57Å; N156-I158 PolarHBondContact O-N 3.47Å; N156-I158 WeakPolarHBondContact OD1-CB 3.45Å; N156-I158 PolarHBondContact OD1-N 3.3Å; I158-L160 VanDerWaalsContact C-N 3.31Å; I158-L160 PolarHBondContact O-N 2.99Å; I158-A161 PolarHBondContact O-N 3.35Å; I158-I162 HydrophobicContact CG2-CD1 3.91Å; I158-I162 HydrophobicContact CG2-CG1 4.5Å; I158-I162 VanDerWaalsContact O-CG1 3.32Å; I158-I162 WeakPolarHBondContact O-CG1 3.42Å; I158-I162 PolarHBondContact O-N 3.49Å; I158-Y174 HydrophobicContact CD1-CE2 4.05Å; I158-Y174 WeakPolarHBondContact CD1-OH 3.5Å; I158-Y174 HydrophobicContact CG2-CD2 3.76Å; I158-Y174 HydrophobicContact CG2-CE2 3.42Å; I158-Y174 VanDerWaalsContact CG2-CE2 3.42Å; I158-V185 HydrophobicContact CB-CG2 3.89Å; I158-V185 HydrophobicContact CD1-CG2 3.85Å; I158-V185 HydrophobicContact CG1-CG2 4.4Å; I158-V185 HydrophobicContact CG2-CG1 4.32Å; I158-V185 HydrophobicContact CG2-CG2 3.93Å; I158-V260 HydrophobicContact CG2-CG1 3.98Å; I158-Q262 HydrophobicContact CD1-CB 4.46Å; I158-Q262 HydrophobicContact CD1-CG 4.01Å; I158-L300 HydrophobicContact CB-CD1 4.27Å; I158-L300 HydrophobicContact CD1-CD1 4.48Å; I158-L300 HydrophobicContact CG1-CD1 3.79Å; I158-L300 HydrophobicContact CG2-CD1 4.18Å
159V98.9Very high98.5Very high1 Ų115.2 Ų15.21%0.0068%0.075CC..Hα-helixtrans-61.9-43178.7173.10000110.3Y69 N156 I162 L163 V185 A188 F189Y69-V159 HydrophobicContact CD1-CB 4.06Å; Y69-V159 HydrophobicContact CD1-CG1 3.73Å; Y69-V159 HydrophobicContact CD2-CG1 3.56Å; Y69-V159 HydrophobicContact CE1-CB 4.27Å; Y69-V159 HydrophobicContact CE1-CG1 4.1Å; Y69-V159 HydrophobicContact CE1-CG2 4.3Å; Y69-V159 HydrophobicContact CE2-CG1 3.96Å; Y69-V159 HydrophobicContact CG-CB 4.26Å; Y69-V159 HydrophobicContact CG-CG1 3.44Å; Y69-V159 VanDerWaalsContact CG-CG1 3.44Å; N156-V159 HydrophobicContact CB-CB 4.21Å; N156-V159 HydrophobicContact CB-CG2 4.14Å; N156-V159 VanDerWaalsContact CG-CG2 3.49Å; N156-V159 PolarHBondContact O-N 3.38Å; N156-V159 WeakPolarHBondContact OD1-CG2 3.14Å; N156-V159 PolarHBondContact OD1-N 2.83Å; V159-I162 PolarHBondContact O-N 3.04Å; V159-L163 HydrophobicContact CG1-CD1 4.17Å; V159-L163 HydrophobicContact CG1-CG 4.44Å; V159-L163 WeakPolarHBondContact O-CB 3.11Å; V159-L163 VanDerWaalsContact O-CG 3.28Å; V159-L163 WeakPolarHBondContact O-CG 3.23Å; V159-L163 PolarHBondContact O-N 2.81Å; V159-V185 HydrophobicContact CG2-CG1 4.49Å; V159-V185 HydrophobicContact CG2-CG2 4.38Å; V159-A188 HydrophobicContact CB-CB 4.44Å; V159-A188 HydrophobicContact CG1-CB 3.93Å; V159-A188 HydrophobicContact CG2-CB 3.55Å; V159-F189 HydrophobicContact CB-CE2 4.34Å; V159-F189 HydrophobicContact CG1-CE2 4.13Å; V159-F189 HydrophobicContact CG1-CZ 3.92Å; V159-F189 HydrophobicContact CG2-CE2 4.03Å
160L98.8Very high98.3Very high14 Ų1418.2 Ų18.27%0.0739%0.089CC..Hα-helixtrans-61.5-44.5175.8-63.1174.7000111.7E65 M66 K68 A116 V155 N156 D157 I158 I162 L163 E164E65-L160 WeakPolarHBondContact O-CD2 3.28Å; M66-L160 HydrophobicContact CG-CD1 4.41Å; K68-L160 HydrophobicContact CB-CD2 4.24Å; A116-L160 HydrophobicContact CB-CD1 4.25Å; V155-L160 HydrophobicContact CG1-CD1 3.88Å; N156-L160 PolarHBondContact O-N 2.92Å; D157-L160 PolarHBondContact O-N 2.96Å; I158-L160 VanDerWaalsContact C-N 3.31Å; I158-L160 PolarHBondContact O-N 2.99Å; L160-I162 PolarHBondContact O-N 3.13Å; L160-L163 PolarHBondContact O-N 3.13Å; L160-E164 PolarHBondContact O-N 2.8Å
161A98.9Very high98.3Very high0 Ų019.5 Ų19.50%09%0.091CC..Hα-helixtrans-62.8-40.4176.700000112.7S123 D157 I158 E164 L165 L298S123-A161 WeakPolarHBondContact OG-CA 3.38Å; S123-A161 WeakPolarHBondContact OG-CB 3.34Å; S123-A161 PolarHBondContact OG-O 3.09Å; D157-A161 VanDerWaalsContact O-CB 3.25Å; D157-A161 WeakPolarHBondContact O-CB 3.48Å; D157-A161 PolarHBondContact O-N 2.93Å; I158-A161 PolarHBondContact O-N 3.35Å; A161-E164 WeakPolarHBondContact O-CB 3.42Å; A161-E164 PolarHBondContact O-N 2.87Å; A161-L165 WeakPolarHBondContact O-CG 3.26Å; A161-L165 PolarHBondContact O-N 3.08Å; A161-L298 HydrophobicContact CB-CD2 3.69Å
162I98.9Very high98.4Very high0 Ų019 Ų190%09%0.086CC..Hα-helixtrans-68.2-42.3176.6-69.1167.4000110.9I158 V159 L160 E164 L165 L166 V172 Y174 V185 F189 V195 V260I158-I162 HydrophobicContact CG2-CD1 3.91Å; I158-I162 HydrophobicContact CG2-CG1 4.5Å; I158-I162 VanDerWaalsContact O-CG1 3.32Å; I158-I162 WeakPolarHBondContact O-CG1 3.42Å; I158-I162 PolarHBondContact O-N 3.49Å; V159-I162 PolarHBondContact O-N 3.04Å; L160-I162 PolarHBondContact O-N 3.13Å; I162-E164 PolarHBondContact O-N 2.68Å; I162-L165 PolarHBondContact O-N 3.16Å; I162-L165 VanDerWaalsContact O-N 3.16Å; I162-L166 HydrophobicContact CG2-CD1 4Å; I162-L166 HydrophobicContact CG2-CG 4.18Å; I162-L166 WeakPolarHBondContact O-CB 3.42Å; I162-L166 VanDerWaalsContact O-CG 3.26Å; I162-L166 WeakPolarHBondContact O-CG 3.23Å; I162-L166 PolarHBondContact O-N 2.97Å; I162-V172 HydrophobicContact CG1-CG1 4.21Å; I162-V172 HydrophobicContact CG2-CB 4.27Å; I162-V172 HydrophobicContact CG2-CG1 4.12Å; I162-Y174 HydrophobicContact CD1-CD2 4.16Å; I162-Y174 HydrophobicContact CD1-CG 4.28Å; I162-V185 HydrophobicContact CD1-CG1 3.92Å; I162-F189 HydrophobicContact CB-CE2 3.95Å; I162-F189 HydrophobicContact CB-CZ 3.78Å; I162-F189 HydrophobicContact CD1-CD2 4.45Å; I162-F189 HydrophobicContact CD1-CE2 3.8Å; I162-F189 HydrophobicContact CG1-CE2 4.48Å; I162-F189 HydrophobicContact CG2-CE1 4.04Å; I162-F189 HydrophobicContact CG2-CE2 3.73Å; I162-F189 HydrophobicContact CG2-CZ 3.42Å; I162-F189 VanDerWaalsContact CG2-CZ 3.42Å; I162-V195 HydrophobicContact CD1-CG1 4.47Å; I162-V195 HydrophobicContact CG2-CG1 4.15Å; I162-V195 HydrophobicContact CG2-CG2 3.57Å; I162-V260 HydrophobicContact CG1-CB 4.45Å; I162-V260 HydrophobicContact CG1-CG2 3.84Å
163L98.8Very high98.5Very high57 Ų5717.8 Ų17.830%0.2988%0.08SC..Hα-helixtrans-58.5-37.3174.6-72.9173.2000111.6V159 L160 L166 F189V159-L163 HydrophobicContact CG1-CD1 4.17Å; V159-L163 HydrophobicContact CG1-CG 4.44Å; V159-L163 WeakPolarHBondContact O-CB 3.11Å; V159-L163 VanDerWaalsContact O-CG 3.28Å; V159-L163 WeakPolarHBondContact O-CG 3.23Å; V159-L163 PolarHBondContact O-N 2.81Å; L160-L163 PolarHBondContact O-N 3.13Å; L163-L166 HydrophobicContact CD2-CD1 4.42Å; L163-F189 HydrophobicContact CD2-CE1 4.19Å; L163-F189 HydrophobicContact CD2-CZ 4.49Å; L163-F189 HydrophobicContact CG-CZ 4.41Å
164E98.7Very high98.5Very high4 Ų417.5 Ų17.52%0.0198%0.079CC..Hα-helixtrans-64.8-49173.3-167.360.5-153.100111.6V124 N127 L160 A161 I162 L166 K167 D389 A390V124-E164 HydrophobicContact CG2-CG 3.8Å; N127-E164 PolarHBondContact ND2-O 3.4Å; L160-E164 PolarHBondContact O-N 2.8Å; A161-E164 WeakPolarHBondContact O-CB 3.42Å; A161-E164 PolarHBondContact O-N 2.87Å; I162-E164 PolarHBondContact O-N 2.68Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 3.28Å; E164-K167 WeakPolarHBondContact O-CB 3.47Å; E164-K167 WeakPolarHBondContact O-CG 3.38Å; E164-K167 PolarHBondContact O-N 3.26Å; E164-K167 VanDerWaalsContact O-N 3.15Å; E164-K167 IonicContact OE1-NZ 2.78Å; E164-K167 PolarHBondContact OE1-NZ 3.11Å; E164-K167 WeakPolarHBondContact OE2-CE 3.24Å; E164-K167 IonicContact OE2-NZ 2.88Å; E164-K167 PolarHBondContact OE2-NZ 2.87Å; E164-D389 WeakPolarHBondContact OE1-CA 3.31Å; E164-A390 HydrophobicContact CG-CB 4.42Å; E164-A390 PolarHBondContact OE1-N 2.96Å; E164-A390 WeakPolarHBondContact OE2-CB 3.13Å; E164-A390 PolarHBondContact OE2-N 3.43Å
165L98.7Very high98.5Very high0 Ų017.5 Ų17.50%08%0.079CC..Hα-helixtrans-59.9-37.2177.2-69.8169.2000112.3L126 N127 A161 I162 K167 Y168 H169 V172 A258 V260L126-L165 HydrophobicContact CB-CD2 4.09Å; L126-L165 HydrophobicContact CD1-CD2 4.38Å; N127-L165 WeakPolarHBondContact OD1-CA 3.41Å; A161-L165 WeakPolarHBondContact O-CG 3.26Å; A161-L165 PolarHBondContact O-N 3.08Å; I162-L165 PolarHBondContact O-N 3.16Å; I162-L165 VanDerWaalsContact O-N 3.16Å; L165-K167 PolarHBondContact O-N 3.38Å; L165-Y168 PolarHBondContact O-N 3.2Å; L165-Y168 VanDerWaalsContact O-N 3.09Å; L165-H169 VanDerWaalsContact O-CB 3.32Å; L165-H169 WeakPolarHBondContact O-CB 3.39Å; L165-H169 PolarHBondContact O-CD2 3.34Å; L165-H169 VanDerWaalsContact O-CD2 3.31Å; L165-H169 PolarHBondContact O-N 2.9Å; L165-V172 HydrophobicContact CB-CG2 3.79Å; L165-V172 HydrophobicContact CD1-CG1 4.14Å; L165-A258 HydrophobicContact CD1-CB 4.45Å; L165-A258 HydrophobicContact CD2-CB 4.38Å; L165-V260 HydrophobicContact CD1-CG2 3.5Å; L165-V260 VanDerWaalsContact CD1-CG2 3.5Å
166L98.4Very high98.5Very high22 Ų2217.3 Ų17.312%0.1158%0.077CC..THydrogen-bonded Turntrans-63.6-9.8179.1-75.5171.8000114I162 L163 E164 Y168 V172 F189 R194 V195I162-L166 HydrophobicContact CG2-CD1 4Å; I162-L166 HydrophobicContact CG2-CG 4.18Å; I162-L166 WeakPolarHBondContact O-CB 3.42Å; I162-L166 VanDerWaalsContact O-CG 3.26Å; I162-L166 WeakPolarHBondContact O-CG 3.23Å; I162-L166 PolarHBondContact O-N 2.97Å; L163-L166 HydrophobicContact CD2-CD1 4.42Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 3.28Å; L166-Y168 VanDerWaalsContact C-N 3.34Å; L166-V172 HydrophobicContact CD2-CB 4.46Å; L166-V172 HydrophobicContact CD2-CG2 3.86Å; L166-V172 HydrophobicContact CG-CG2 4.09Å; L166-F189 HydrophobicContact CD1-CE1 4.14Å; L166-R194 HydrophobicContact CD2-CB 3.85Å; L166-R194 PolarHBondContact O-NH2 2.94Å; L166-V195 HydrophobicContact CD1-CG2 3.71Å; L166-V195 HydrophobicContact CD2-CG2 3.99Å; L166-V195 HydrophobicContact CG-CG2 4.21Å
167K97.7Very high98.5Very high32 Ų3217.3 Ų17.314%0.1398%0.077CC..THydrogen-bonded Turntrans-69-33.7171.8-64.2176.5175.7169.10112.6E164 L165 I386 P387 E388E164-K167 WeakPolarHBondContact O-CB 3.47Å; E164-K167 WeakPolarHBondContact O-CG 3.38Å; E164-K167 PolarHBondContact O-N 3.26Å; E164-K167 VanDerWaalsContact O-N 3.15Å; E164-K167 IonicContact OE1-NZ 2.78Å; E164-K167 PolarHBondContact OE1-NZ 3.11Å; E164-K167 WeakPolarHBondContact OE2-CE 3.24Å; E164-K167 IonicContact OE2-NZ 2.88Å; E164-K167 PolarHBondContact OE2-NZ 2.87Å; L165-K167 PolarHBondContact O-N 3.38Å; K167-I386 HydrophobicContact CB-CG2 4.21Å; K167-P387 HydrophobicContact CG-CG 4.47Å; K167-E388 WeakPolarHBondContact CE-O 3.19Å; K167-E388 VanDerWaalsContact NZ-C 3.35Å; K167-E388 PolarHBondContact NZ-O 3.11Å
168Y97.6Very high98.5Very high103 Ų10317.3 Ų17.340%0.4048%0.077SC..THydrogen-bonded Turntrans-117-23-176.3-62.5-96.5000112.8N127 L165 L166 I386 D389N127-Y168 HydrophobicContact CB-CD2 3.55Å; N127-Y168 HydrophobicContact CB-CE2 3.9Å; N127-Y168 HydrophobicContact CB-CG 4.1Å; N127-Y168 WeakPolarHBondContact ND2-CD2 3.23Å; L165-Y168 PolarHBondContact O-N 3.2Å; L165-Y168 VanDerWaalsContact O-N 3.09Å; L166-Y168 VanDerWaalsContact C-N 3.34Å; Y168-I386 HydrophobicContact CD1-CD1 4.18Å; Y168-I386 HydrophobicContact CE1-CD1 3.99Å; Y168-I386 HydrophobicContact CE1-CG2 4.08Å; Y168-I386 HydrophobicContact CE2-CG2 4.02Å; Y168-D389 WeakPolarHBondContact CE2-OD1 3.12Å; Y168-D389 PolarHBondContact OH-OD1 2.62Å; Y168-D389 VanDerWaalsContact OH-OD1 3.08Å
169H97.5Very high98.5Very high23 Ų2317.3 Ų17.311%0.1068%0.077CC..  trans-104.4119.1-177.9-64.2-72.3000111.4N127 L165 R171 V172 R194 S257 A258N127-H169 PolarHBondContact OD1-CD2 2.82Å; N127-H169 VanDerWaalsContact OD1-CD2 3.29Å; L165-H169 VanDerWaalsContact O-CB 3.32Å; L165-H169 WeakPolarHBondContact O-CB 3.39Å; L165-H169 PolarHBondContact O-CD2 3.34Å; L165-H169 VanDerWaalsContact O-CD2 3.31Å; L165-H169 PolarHBondContact O-N 2.9Å; H169-R171 VanDerWaalsContact C-N 3.27Å; H169-R171 PolarHBondContact O-N 2.9Å; H169-V172 HydrophobicContact CB-CG2 3.92Å; H169-R194 PolarHBondContact O-NH2 2.8Å; H169-S257 WeakPolarHBondContact CB-OG 3.34Å; H169-S257 PolarHBondContact CE1-O 2.75Å; H169-S257 PolarHBondContact ND1-O 2.64Å; H169-S257 PolarHBondContact ND1-OG 2.72Å; H169-A258 HydrophobicContact CB-CB 4.25Å
170Q95.6Very high98.5Very high62 Ų6217.9 Ų17.929%0.298%0.08SC..SBendtrans-62-38.6178.2-177.859.955.500111.8R194Q170-R194 PolarHBondContact O-NE 2.75Å
171R98.1Very high98.5Very high43 Ų4317.3 Ų17.316%0.1628%0.077CC..  trans-131.8121.7-179.7-71.8-176.2-56.7-73.8-1.3110.3H169 R194 Y254 Q255 S257 P379H169-R171 VanDerWaalsContact C-N 3.27Å; H169-R171 PolarHBondContact O-N 2.9Å; R171-R194 WeakPolarHBondContact CA-O 3.43Å; R171-Y254 HydrophobicContact CB-CE1 4.05Å; R171-Y254 HydrophobicContact CB-CE2 4.24Å; R171-Y254 WeakPolarHBondContact CD-O 3.37Å; R171-Y254 HydrophobicContact CG-CE2 4.02Å; R171-Y254 PolarHBondContact NE-O 2.58Å; R171-Q255 VanDerWaalsContact CZ-O 3.28Å; R171-Q255 PolarHBondContact NE-O 3.29Å; R171-Q255 PolarHBondContact NH2-O 3.34Å; R171-S257 PolarHBondContact O-N 2.83Å; R171-S257 PolarHBondContact O-OG 2.85Å; R171-P379 VanDerWaalsContact NH1-CB 3.31Å; R171-P379 VanDerWaalsContact NH1-CG 3.28Å
172V98.9Very high98.5Very high0 Ų017.3 Ų17.30%08%0.077CC..EExtended strand (participates in β ladder)trans-108.4133.7172.8-178.90000108.1I162 L165 L166 H169 R194 V195 M196 Y254 V260I162-V172 HydrophobicContact CG1-CG1 4.21Å; I162-V172 HydrophobicContact CG2-CB 4.27Å; I162-V172 HydrophobicContact CG2-CG1 4.12Å; L165-V172 HydrophobicContact CB-CG2 3.79Å; L165-V172 HydrophobicContact CD1-CG1 4.14Å; L166-V172 HydrophobicContact CD2-CB 4.46Å; L166-V172 HydrophobicContact CD2-CG2 3.86Å; L166-V172 HydrophobicContact CG-CG2 4.09Å; H169-V172 HydrophobicContact CB-CG2 3.92Å; V172-R194 PolarHBondContact N-O 3.42Å; V172-V195 VanDerWaalsContact O-CA 3.32Å; V172-V195 WeakPolarHBondContact O-CA 3.32Å; V172-M196 PolarHBondContact O-N 3.37Å; V172-M196 VanDerWaalsContact O-N 3.17Å; V172-Y254 VanDerWaalsContact O-CE1 3.31Å; V172-Y254 WeakPolarHBondContact O-CE1 3.49Å; V172-Y254 PolarHBondContact O-OH 3.22Å; V172-V260 HydrophobicContact CG1-CG2 4.16Å
173L98.9Very high98.5Very high0 Ų018 Ų180%08%0.081CC..EExtended strand (participates in β ladder)trans-102.4124.8173.8171.263.3000108.9I175 M196 V198 M247 V250 M251 Y254 P256 A258 V259 V260 M290L173-I175 HydrophobicContact CD1-CG1 4.29Å; L173-I175 HydrophobicContact CD2-CD1 3.91Å; L173-I175 HydrophobicContact CD2-CG1 4.08Å; L173-I175 HydrophobicContact CG-CD1 4.19Å; L173-I175 HydrophobicContact CG-CG1 3.85Å; L173-M196 HydrophobicContact CD1-CB 4.13Å; L173-M196 HydrophobicContact CD1-CG 4.13Å; L173-M196 HydrophobicContact CD1-SD 4.4Å; L173-V198 HydrophobicContact CD1-CG2 3.74Å; L173-M247 HydrophobicContact CD2-CE 3.83Å; L173-V250 HydrophobicContact CD1-CG1 3.65Å; L173-V250 HydrophobicContact CD2-CG1 3.83Å; L173-V250 HydrophobicContact CG-CG1 4.42Å; L173-M251 HydrophobicContact CD2-SD 3.65Å; L173-Y254 HydrophobicContact CB-CD1 4.22Å; L173-Y254 HydrophobicContact CB-CE1 4.07Å; L173-Y254 HydrophobicContact CD1-CD1 4.39Å; L173-P256 HydrophobicContact CB-CB 3.56Å; L173-P256 HydrophobicContact CB-CG 3.71Å; L173-P256 HydrophobicContact CD2-CG 3.9Å; L173-P256 HydrophobicContact CG-CG 4.46Å; L173-A258 PolarHBondContact N-O 2.93Å; L173-V259 HydrophobicContact CB-CG2 4.42Å; L173-V259 HydrophobicContact CD2-CG2 4.43Å; L173-V259 CarbonylContact O-C 3.49Å; L173-V259 WeakPolarHBondContact O-CA 3.45Å; L173-V260 PolarHBondContact O-N 2.89Å; L173-M290 HydrophobicContact CD2-CE 4.31Å
174Y98.9Very high98.5Very high2 Ų215.2 Ų15.21%0.0087%0.066CC..EExtended strand (participates in β ladder)trans-102.7129.9170.8175.1-110.6000109.8I158 I162 D176 V185 M196 T197 V198 V260 Q262I158-Y174 HydrophobicContact CD1-CE2 4.05Å; I158-Y174 WeakPolarHBondContact CD1-OH 3.5Å; I158-Y174 HydrophobicContact CG2-CD2 3.76Å; I158-Y174 HydrophobicContact CG2-CE2 3.42Å; I158-Y174 VanDerWaalsContact CG2-CE2 3.42Å; I162-Y174 HydrophobicContact CD1-CD2 4.16Å; I162-Y174 HydrophobicContact CD1-CG 4.28Å; Y174-D176 HydrophobicContact CE1-CB 3.7Å; Y174-D176 VanDerWaalsContact OH-CG 3.31Å; Y174-D176 PolarHBondContact OH-OD2 3.31Å; Y174-V185 HydrophobicContact CD1-CB 4.11Å; Y174-V185 HydrophobicContact CD1-CG1 3.6Å; Y174-V185 HydrophobicContact CD2-CG1 4.22Å; Y174-V185 HydrophobicContact CE1-CB 3.76Å; Y174-V185 HydrophobicContact CE1-CG1 3.75Å; Y174-V185 HydrophobicContact CE1-CG2 4.05Å; Y174-V185 HydrophobicContact CE2-CG1 4.36Å; Y174-V185 HydrophobicContact CE2-CG2 4.4Å; Y174-V185 HydrophobicContact CG-CG1 3.83Å; Y174-M196 PolarHBondContact N-O 3.12Å; Y174-T197 HydrophobicContact CD1-CG2 3.94Å; Y174-V198 PolarHBondContact O-N 2.96Å; Y174-V260 CarbonylContact C-O 3.56Å; Y174-V260 WeakPolarHBondContact CA-O 3.48Å; Y174-V260 HydrophobicContact CD2-CB 4.12Å; Y174-V260 HydrophobicContact CD2-CG1 4.03Å; Y174-V260 HydrophobicContact CE2-CG1 4.37Å; Y174-Q262 HydrophobicContact CE2-CB 3.9Å; Y174-Q262 WeakPolarHBondContact OH-CB 3.31Å
175I98.9Very high98.5Very high0 Ų015 Ų150%07%0.065CC..EExtended strand (participates in β ladder)trans-126132.4179.1-51.3167.8000107.9L173 I177 V198 F243 M247 V259 V260 L261 Q262 M290L173-I175 HydrophobicContact CD1-CG1 4.29Å; L173-I175 HydrophobicContact CD2-CD1 3.91Å; L173-I175 HydrophobicContact CD2-CG1 4.08Å; L173-I175 HydrophobicContact CG-CD1 4.19Å; L173-I175 HydrophobicContact CG-CG1 3.85Å; I175-I177 HydrophobicContact CG2-CG2 4.49Å; I175-V198 CarbonylContact C-O 3.57Å; I175-V198 WeakPolarHBondContact CA-O 3.35Å; I175-F243 HydrophobicContact CG2-CE2 3.99Å; I175-F243 HydrophobicContact CG2-CZ 4.23Å; I175-M247 HydrophobicContact CD1-CE 3.39Å; I175-M247 HydrophobicContact CD1-SD 4.49Å; I175-M247 HydrophobicContact CG1-CE 3.65Å; I175-M247 HydrophobicContact CG2-CE 4.48Å; I175-M247 HydrophobicContact CG2-SD 4.35Å; I175-V259 HydrophobicContact CD1-CG1 3.73Å; I175-V259 HydrophobicContact CG1-CG1 4.37Å; I175-V260 PolarHBondContact N-O 3.41Å; I175-L261 HydrophobicContact CB-CD1 3.69Å; I175-L261 HydrophobicContact CG2-CD1 3.66Å; I175-L261 WeakPolarHBondContact O-CA 3.42Å; I175-Q262 PolarHBondContact O-N 3.06Å; I175-M290 HydrophobicContact CD1-CE 3.4Å; I175-M290 HydrophobicContact CD1-CG 3.64Å; I175-M290 HydrophobicContact CD1-SD 3.54Å; I175-M290 VanDerWaalsContact CD1-SD 3.54Å
176D98.9Very high98.5Very high0 Ų015.5 Ų15.50%07%0.068CC..EExtended strand (participates in β ladder)trans-127.2116.7-175.4-160.3-37.9000110.1H142 Y174 D178 G182 V198 F200 Q262H142-D176 IonicContact CE1-OD1 3.16Å; H142-D176 IonicContact CE1-OD2 2.78Å; H142-D176 IonicContact CG-OD2 3.64Å; H142-D176 IonicContact ND1-OD1 2.67Å; H142-D176 IonicContact ND1-OD2 2.71Å; H142-D176 PolarHBondContact ND1-OD2 2.96Å; Y174-D176 HydrophobicContact CE1-CB 3.7Å; Y174-D176 VanDerWaalsContact OH-CG 3.31Å; Y174-D176 PolarHBondContact OH-OD2 3.31Å; D176-D178 WeakPolarHBondContact OD1-CB 2.98Å; D176-D178 PolarHBondContact OD1-N 2.9Å; D176-G182 VanDerWaalsContact OD2-CA 3.23Å; D176-G182 WeakPolarHBondContact OD2-CA 3.33Å; D176-V198 PolarHBondContact N-O 3.1Å; D176-F200 PolarHBondContact O-N 3Å; D176-F200 VanDerWaalsContact O-N 3.13Å; D176-Q262 PolarHBondContact OD1-OE1 3.29Å
177I98.9Very high98.5Very high0 Ų019.2 Ų19.20%08%0.084CC..  trans-112.611.9177.361.9173.6000112.7I175 Y239 F243 Q262 S267 H283 C286I175-I177 HydrophobicContact CG2-CG2 4.49Å; I177-Y239 WeakPolarHBondContact CG2-OH 3.4Å; I177-F243 HydrophobicContact CG2-CD2 4.41Å; I177-F243 HydrophobicContact CG2-CE2 3.78Å; I177-Q262 WeakPolarHBondContact CG1-O 3.44Å; I177-Q262 PolarHBondContact N-O 3.15Å; I177-S267 WeakPolarHBondContact O-CB 3.45Å; I177-S267 PolarHBondContact O-OG 3.29Å; I177-S267 VanDerWaalsContact O-OG 3.1Å; I177-H283 WeakPolarHBondContact CD1-CE1 3.17Å; I177-H283 WeakPolarHBondContact CD1-NE2 3.23Å; I177-C286 HydrophobicContact CD1-CB 4Å; I177-C286 HydrophobicContact CG2-CB 4.4Å
178D98.9Very high98.5Very high0 Ų019.1 Ų19.10%09%0.09CC..SBendtrans-58.5152163.9-157.4-80000110.4H142 D176 H180 Q262 G264 D266 G303H142-D178 VanDerWaalsContact CE1-CB 3.44Å; H142-D178 WeakPolarHBondContact CE1-CB 3.47Å; H142-D178 VanDerWaalsContact CE1-CG 3.41Å; H142-D178 IonicContact CE1-OD1 3.02Å; H142-D178 IonicContact CE1-OD2 2.94Å; H142-D178 IonicContact NE2-OD1 3.37Å; H142-D178 IonicContact NE2-OD2 3.67Å; D176-D178 WeakPolarHBondContact OD1-CB 2.98Å; D176-D178 PolarHBondContact OD1-N 2.9Å; D178-H180 PolarHBondContact O-N 3.38Å; D178-H180 WeakPolarHBondContact OD1-CB 3.37Å; D178-H180 IonicContact OD1-CG 2.59Å; D178-H180 PolarHBondContact OD1-N 2.89Å; D178-H180 IonicContact OD1-ND1 3.49Å; D178-H180 PolarHBondContact OD1-ND1 2.93Å; D178-Q262 PolarHBondContact OD2-NE2 3.1Å; D178-G264 WeakPolarHBondContact OD2-CA 3.4Å; D178-D266 VanDerWaalsContact CG-OD1 3.24Å; D178-D266 VanDerWaalsContact OD1-OD1 3.08Å; D178-G303 WeakPolarHBondContact OD2-CA 3.38Å; D178-G303 PolarHBondContact OD2-N 3.37Å
179I98.8Very high98.6Very high0 Ų015 Ų150%07%0.074CC..SBendtrans-69.5-24.3175.9-160.7176000112.1H201 K202 Y206 D266 F276I179-H201 CarbonylContact O-C 3.58Å; I179-H201 WeakPolarHBondContact O-CA 3.49Å; I179-H201 VanDerWaalsContact O-CB 3.24Å; I179-H201 WeakPolarHBondContact O-CB 3.42Å; I179-K202 HydrophobicContact CD1-CB 4.47Å; I179-K202 HydrophobicContact CG1-CB 4.02Å; I179-K202 PolarHBondContact O-N 3.14Å; I179-Y206 HydrophobicContact CG1-CE1 4.48Å; I179-Y206 HydrophobicContact CG2-CE1 4.19Å; I179-D266 HydrophobicContact CG2-CB 3.97Å; I179-D266 VanDerWaalsContact CG2-CG 3.43Å; I179-D266 WeakPolarHBondContact CG2-OD1 3.17Å; I179-D266 PolarHBondContact N-OD1 2.93Å; I179-F276 HydrophobicContact CD1-CB 4.06Å; I179-F276 HydrophobicContact CD1-CD1 3.67Å; I179-F276 HydrophobicContact CD1-CD2 4.22Å; I179-F276 HydrophobicContact CD1-CE1 4.14Å; I179-F276 HydrophobicContact CD1-CG 3.7Å; I179-F276 HydrophobicContact CG1-CD1 3.93Å; I179-F276 HydrophobicContact CG1-CD2 3.92Å; I179-F276 HydrophobicContact CG1-CE1 3.96Å; I179-F276 HydrophobicContact CG1-CE2 3.93Å; I179-F276 HydrophobicContact CG1-CG 3.9Å; I179-F276 HydrophobicContact CG1-CZ 3.94Å
180H98.9Very high98.7Very high13 Ų1317.1 Ų17.16%0.068%0.081CC..SBendtrans-88.7150.3177.1-51.887.7000111H143 D178 G182 Y206 F207 D266H143-H180 WeakPolarHBondContact NE2-CB 3.26Å; H143-H180 AromaticContact NE2-CG 3.9Å; D178-H180 PolarHBondContact O-N 3.38Å; D178-H180 WeakPolarHBondContact OD1-CB 3.37Å; D178-H180 IonicContact OD1-CG 2.59Å; D178-H180 PolarHBondContact OD1-N 2.89Å; D178-H180 IonicContact OD1-ND1 3.49Å; D178-H180 PolarHBondContact OD1-ND1 2.93Å; H180-G182 PolarHBondContact O-N 2.77Å; H180-Y206 AromaticContact CD2-CE1 3.41Å; H180-Y206 VanDerWaalsContact CD2-CE1 3.41Å; H180-Y206 WeakPolarHBondContact CD2-CE1 3.28Å; H180-Y206 AromaticContact NE2-CE1 3.52Å; H180-Y206 AromaticContact NE2-CZ 3.73Å; H180-F207 PolarHBondContact CD2-O 3.25Å; H180-D266 IonicContact CE1-OD2 3.39Å; H180-D266 PolarHBondContact CE1-OD2 3.17Å; H180-D266 IonicContact ND1-OD2 2.8Å; H180-D266 PolarHBondContact ND1-OD2 2.96Å
181H98.9Very high98.8Very high2 Ų218.8 Ų18.81%0.00910%0.096CC..  trans-65.3130.7173.9174.7-132.1000110.6H143 D183 E186 H201 P208 T210 G211 N227H143-H181 PolarHBondContact CE1-O 3.05Å; H143-H181 VanDerWaalsContact CE1-O 3.25Å; H181-D183 PolarHBondContact O-N 3.05Å; H181-E186 IonicContact CE1-OE1 3.96Å; H181-E186 PolarHBondContact CE1-OE1 3.39Å; H181-E186 IonicContact NE2-OE1 3.28Å; H181-E186 IonicContact NE2-OE2 2.64Å; H181-E186 PolarHBondContact NE2-OE2 3.25Å; H181-H201 HydrophobicContact CB-CB 4.3Å; H181-H201 AromaticContact CD2-CE1 3.44Å; H181-H201 PolarHBondContact CD2-CE1 3.32Å; H181-H201 VanDerWaalsContact CD2-CE1 3.44Å; H181-H201 AromaticContact CD2-ND1 3.62Å; H181-H201 AromaticContact CG-CE1 3.83Å; H181-H201 AromaticContact CG-ND1 4Å; H181-P208 HydrophobicContact CB-CG 3.98Å; H181-T210 PolarHBondContact ND1-OG1 3.05Å; H181-G211 PolarHBondContact ND1-N 2.57Å; H181-N227 PolarHBondContact CD2-OD1 3.06Å; H181-N227 PolarHBondContact NE2-OD1 3.26Å
182G98.8Very high98.8Very high1 Ų118.6 Ų18.61%0.0110%0.1CC..  trans-71.153.8176.300000114.5H142 D176 H180 G184 V185 E186H142-G182 WeakPolarHBondContact ND1-CA 3.43Å; D176-G182 VanDerWaalsContact OD2-CA 3.23Å; D176-G182 WeakPolarHBondContact OD2-CA 3.33Å; H180-G182 PolarHBondContact O-N 2.77Å; G182-G184 PolarHBondContact O-N 3.17Å; G182-V185 PolarHBondContact O-N 2.71Å; G182-E186 PolarHBondContact O-N 2.8Å
183D98.8Very high98.7Very high13 Ų1321.7 Ų21.77%0.0712%0.116CC..Hα-helixtrans-66.3-33.5-166.572-37.3000114.4H143 K145 H181 E187 P208 T210H143-D183 IonicContact CE1-OD1 3.96Å; H143-D183 IonicContact CG-OD1 3.39Å; H143-D183 IonicContact ND1-OD1 3.58Å; H143-D183 PolarHBondContact ND1-OD1 3.25Å; K145-D183 WeakPolarHBondContact CE-OD2 3.37Å; K145-D183 PolarHBondContact NZ-O 3.13Å; K145-D183 IonicContact NZ-OD1 3.42Å; K145-D183 IonicContact NZ-OD2 2.9Å; K145-D183 PolarHBondContact NZ-OD2 3.06Å; H181-D183 PolarHBondContact O-N 3.05Å; D183-E187 WeakPolarHBondContact O-CB 3.49Å; D183-E187 PolarHBondContact O-N 3.31Å; D183-P208 HydrophobicContact CB-CB 4.49Å; D183-P208 HydrophobicContact CB-CG 3.82Å; D183-T210 WeakPolarHBondContact CB-OG1 3.4Å
184G98.8Very high98.7Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-68.6-37.1176.800000112.8H142 G182 A188H142-G184 WeakPolarHBondContact O-CA 3.45Å; H142-G184 PolarHBondContact O-N 3.42Å; G182-G184 PolarHBondContact O-N 3.17Å; G184-A188 WeakPolarHBondContact O-CB 3.38Å; G184-A188 PolarHBondContact O-N 2.96Å
185V98.9Very high98.7Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-73.9-43.6175.7-172.10000110.7H142 I158 V159 I162 Y174 G182 E187 A188 F189 T197H142-V185 HydrophobicContact CB-CG2 4.01Å; H142-V185 PolarHBondContact O-N 2.98Å; I158-V185 HydrophobicContact CB-CG2 3.89Å; I158-V185 HydrophobicContact CD1-CG2 3.85Å; I158-V185 HydrophobicContact CG1-CG2 4.4Å; I158-V185 HydrophobicContact CG2-CG1 4.32Å; I158-V185 HydrophobicContact CG2-CG2 3.93Å; V159-V185 HydrophobicContact CG2-CG1 4.49Å; V159-V185 HydrophobicContact CG2-CG2 4.38Å; I162-V185 HydrophobicContact CD1-CG1 3.92Å; Y174-V185 HydrophobicContact CD1-CB 4.11Å; Y174-V185 HydrophobicContact CD1-CG1 3.6Å; Y174-V185 HydrophobicContact CD2-CG1 4.22Å; Y174-V185 HydrophobicContact CE1-CB 3.76Å; Y174-V185 HydrophobicContact CE1-CG1 3.75Å; Y174-V185 HydrophobicContact CE1-CG2 4.05Å; Y174-V185 HydrophobicContact CE2-CG1 4.36Å; Y174-V185 HydrophobicContact CE2-CG2 4.4Å; Y174-V185 HydrophobicContact CG-CG1 3.83Å; G182-V185 PolarHBondContact O-N 2.71Å; V185-E187 PolarHBondContact O-N 2.94Å; V185-A188 PolarHBondContact O-N 3.45Å; V185-F189 HydrophobicContact CG1-CD2 4.04Å; V185-F189 HydrophobicContact CG1-CE2 4.2Å; V185-F189 WeakPolarHBondContact O-CD2 3.32Å; V185-F189 PolarHBondContact O-N 2.78Å; V185-T197 HydrophobicContact CG1-CG2 4.21Å
186E98.9Very high98.7Very high10 Ų1023.9 Ų23.95%0.04712%0.124CC..Hα-helixtrans-58.5-47.3175.1176.2164.2117.600111.7H181 G182 A188 F189 Y190 A225 N227H181-E186 IonicContact CE1-OE1 3.96Å; H181-E186 PolarHBondContact CE1-OE1 3.39Å; H181-E186 IonicContact NE2-OE1 3.28Å; H181-E186 IonicContact NE2-OE2 2.64Å; H181-E186 PolarHBondContact NE2-OE2 3.25Å; G182-E186 PolarHBondContact O-N 2.8Å; E186-A188 PolarHBondContact O-N 2.86Å; E186-F189 CarbonylContact O-C 3.57Å; E186-F189 PolarHBondContact O-N 2.95Å; E186-Y190 HydrophobicContact CG-CD2 3.63Å; E186-Y190 HydrophobicContact CG-CE2 3.92Å; E186-Y190 WeakPolarHBondContact O-CA 3.44Å; E186-Y190 WeakPolarHBondContact O-CB 3.16Å; E186-Y190 PolarHBondContact O-N 3.33Å; E186-A225 HydrophobicContact CG-CB 4.27Å; E186-N227 PolarHBondContact OE1-ND2 3.4Å; E186-N227 PolarHBondContact OE2-ND2 2.88Å; E186-N227 PolarHBondContact OE2-OD1 3.24Å
187E98.8Very high98.7Very high100 Ų10024.2 Ų24.247%0.46713%0.126SC..Hα-helixtrans-61.2-43.4178.8-174.7-174.6125.900112.2K145 D183 V185 F189 Y190K145-E187 WeakPolarHBondContact CD-OE2 3.47Å; K145-E187 IonicContact NZ-OE2 2.77Å; K145-E187 PolarHBondContact NZ-OE2 2.7Å; D183-E187 WeakPolarHBondContact O-CB 3.49Å; D183-E187 PolarHBondContact O-N 3.31Å; V185-E187 PolarHBondContact O-N 2.94Å; E187-F189 PolarHBondContact O-N 3.18Å; E187-Y190 PolarHBondContact O-N 3.36Å
188A98.8Very high98.7Very high30 Ų3024.2 Ų24.225%0.24813%0.127CC..Hα-helixtrans-59.5-32.7-179.700000112.9Y69 V159 G184 V185 E186Y69-A188 HydrophobicContact CE2-CB 3.68Å; V159-A188 HydrophobicContact CB-CB 4.44Å; V159-A188 HydrophobicContact CG1-CB 3.93Å; V159-A188 HydrophobicContact CG2-CB 3.55Å; G184-A188 WeakPolarHBondContact O-CB 3.38Å; G184-A188 PolarHBondContact O-N 2.96Å; V185-A188 PolarHBondContact O-N 3.45Å; E186-A188 PolarHBondContact O-N 2.86Å
189F98.8Very high98.7Very high16 Ų1624.4 Ų24.47%0.0713%0.128CC..Hα-helixtrans-114.59.3-175.5-60.6-64.5000114.3V159 I162 L163 L166 V185 E186 E187 T191 T192 V195V159-F189 HydrophobicContact CB-CE2 4.34Å; V159-F189 HydrophobicContact CG1-CE2 4.13Å; V159-F189 HydrophobicContact CG1-CZ 3.92Å; V159-F189 HydrophobicContact CG2-CE2 4.03Å; I162-F189 HydrophobicContact CB-CE2 3.95Å; I162-F189 HydrophobicContact CB-CZ 3.78Å; I162-F189 HydrophobicContact CD1-CD2 4.45Å; I162-F189 HydrophobicContact CD1-CE2 3.8Å; I162-F189 HydrophobicContact CG1-CE2 4.48Å; I162-F189 HydrophobicContact CG2-CE1 4.04Å; I162-F189 HydrophobicContact CG2-CE2 3.73Å; I162-F189 HydrophobicContact CG2-CZ 3.42Å; I162-F189 VanDerWaalsContact CG2-CZ 3.42Å; L163-F189 HydrophobicContact CD2-CE1 4.19Å; L163-F189 HydrophobicContact CD2-CZ 4.49Å; L163-F189 HydrophobicContact CG-CZ 4.41Å; L166-F189 HydrophobicContact CD1-CE1 4.14Å; V185-F189 HydrophobicContact CG1-CD2 4.04Å; V185-F189 HydrophobicContact CG1-CE2 4.2Å; V185-F189 WeakPolarHBondContact O-CD2 3.32Å; V185-F189 PolarHBondContact O-N 2.78Å; E186-F189 CarbonylContact O-C 3.57Å; E186-F189 PolarHBondContact O-N 2.95Å; E187-F189 PolarHBondContact O-N 3.18Å; F189-T191 PolarHBondContact O-N 3.18Å; F189-T192 HydrophobicContact CB-CG2 3.84Å; F189-T192 HydrophobicContact CD1-CG2 3.9Å; F189-T192 HydrophobicContact CG-CG2 4.35Å; F189-T192 VanDerWaalsContact O-CG2 3.28Å; F189-T192 WeakPolarHBondContact O-CG2 3.45Å; F189-T192 PolarHBondContact O-N 2.78Å; F189-T192 VanDerWaalsContact O-N 3.11Å; F189-V195 HydrophobicContact CB-CB 3.89Å; F189-V195 HydrophobicContact CB-CG1 4.09Å; F189-V195 HydrophobicContact CD1-CB 4Å; F189-V195 HydrophobicContact CD1-CG1 4.45Å; F189-V195 HydrophobicContact CD1-CG2 3.66Å; F189-V195 HydrophobicContact CD2-CB 4.26Å; F189-V195 HydrophobicContact CD2-CG1 3.83Å; F189-V195 HydrophobicContact CD2-CG2 4.39Å; F189-V195 HydrophobicContact CE1-CG2 3.9Å; F189-V195 HydrophobicContact CE2-CG1 4.4Å; F189-V195 HydrophobicContact CG-CB 3.78Å; F189-V195 HydrophobicContact CG-CG1 3.86Å; F189-V195 HydrophobicContact CG-CG2 3.93Å; F189-V195 HydrophobicContact CZ-CG2 4.37Å
190Y98.7Very high98.7Very high68 Ų6824.4 Ų24.427%0.26713%0.128SC..THydrogen-bonded Turntrans-57.6-20.7-172.1-153.6-110000115.1E186 E187 G217 A218 A225E186-Y190 HydrophobicContact CG-CD2 3.63Å; E186-Y190 HydrophobicContact CG-CE2 3.92Å; E186-Y190 WeakPolarHBondContact O-CA 3.44Å; E186-Y190 WeakPolarHBondContact O-CB 3.16Å; E186-Y190 PolarHBondContact O-N 3.33Å; E187-Y190 PolarHBondContact O-N 3.36Å; Y190-G217 VanDerWaalsContact CZ-CA 3.42Å; Y190-G217 PolarHBondContact OH-N 3.07Å; Y190-A218 HydrophobicContact CD1-CB 3.82Å; Y190-A218 HydrophobicContact CE1-CB 3.84Å; Y190-A218 PolarHBondContact O-N 2.91Å; Y190-A225 HydrophobicContact CE2-CB 4.33Å
191T98.4Very high98.7Very high97 Ų9723.8 Ų23.860%0.59513%0.125SC*.THydrogen-bonded Turntrans-114.18.6-174.760.80000114.9F189 A218 G221F189-T191 PolarHBondContact O-N 3.18Å; T191-A218 WeakPolarHBondContact CA-O 3.45Å; T191-A218 HydrophobicContact CG2-CB 4.42Å; T191-G221 PolarHBondContact O-N 2.87Å
192T97.9Very high98.7Very high39 Ų3925 Ų2524%0.23913%0.13CC..  trans-118.4149.4178.8-175.50000112.2F189 R194 V195 G221F189-T192 HydrophobicContact CB-CG2 3.84Å; F189-T192 HydrophobicContact CD1-CG2 3.9Å; F189-T192 HydrophobicContact CG-CG2 4.35Å; F189-T192 VanDerWaalsContact O-CG2 3.28Å; F189-T192 WeakPolarHBondContact O-CG2 3.45Å; F189-T192 PolarHBondContact O-N 2.78Å; F189-T192 VanDerWaalsContact O-N 3.11Å; T192-R194 PolarHBondContact OG1-N 3.32Å; T192-V195 HydrophobicContact CG2-CB 4.4Å; T192-G221 WeakPolarHBondContact O-CA 3.43Å
193D97.2Very high98.7Very high65 Ų6528.5 Ų28.535%0.34814%0.144SC..SBendtrans-95.9-3173.658.1-12.3000113Y224D193-Y224 HydrophobicContact CB-CD1 4.17Å; D193-Y224 HydrophobicContact CB-CD2 4.02Å; D193-Y224 HydrophobicContact CB-CE1 3.8Å; D193-Y224 HydrophobicContact CB-CE2 3.66Å; D193-Y224 HydrophobicContact CB-CG 4.28Å; D193-Y224 WeakPolarHBondContact O-CE1 3.38Å
194R98.3Very high98.4Very high45 Ų4529.8 Ų29.817%0.1716%0.16CC..SBendtrans-82.3-14.2178.5-66-165.663.1-162.4-6.9114L166 H169 Q170 R171 V172 T192 Y254L166-R194 HydrophobicContact CD2-CB 3.85Å; L166-R194 PolarHBondContact O-NH2 2.94Å; H169-R194 PolarHBondContact O-NH2 2.8Å; Q170-R194 PolarHBondContact O-NE 2.75Å; R171-R194 WeakPolarHBondContact CA-O 3.43Å; V172-R194 PolarHBondContact N-O 3.42Å; T192-R194 PolarHBondContact OG1-N 3.32Å; R194-Y254 PolarHBondContact O-OH 2.89Å
195V98.9Very high98.2Very high2 Ų239.9 Ų39.91%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-129.7128.2174.8-176.60000107.6I162 L166 V172 F189 T192 T197 Y254I162-V195 HydrophobicContact CD1-CG1 4.47Å; I162-V195 HydrophobicContact CG2-CG1 4.15Å; I162-V195 HydrophobicContact CG2-CG2 3.57Å; L166-V195 HydrophobicContact CD1-CG2 3.71Å; L166-V195 HydrophobicContact CD2-CG2 3.99Å; L166-V195 HydrophobicContact CG-CG2 4.21Å; V172-V195 VanDerWaalsContact O-CA 3.32Å; V172-V195 WeakPolarHBondContact O-CA 3.32Å; F189-V195 HydrophobicContact CB-CB 3.89Å; F189-V195 HydrophobicContact CB-CG1 4.09Å; F189-V195 HydrophobicContact CD1-CB 4Å; F189-V195 HydrophobicContact CD1-CG1 4.45Å; F189-V195 HydrophobicContact CD1-CG2 3.66Å; F189-V195 HydrophobicContact CD2-CB 4.26Å; F189-V195 HydrophobicContact CD2-CG1 3.83Å; F189-V195 HydrophobicContact CD2-CG2 4.39Å; F189-V195 HydrophobicContact CE1-CG2 3.9Å; F189-V195 HydrophobicContact CE2-CG1 4.4Å; F189-V195 HydrophobicContact CG-CB 3.78Å; F189-V195 HydrophobicContact CG-CG1 3.86Å; F189-V195 HydrophobicContact CG-CG2 3.93Å; F189-V195 HydrophobicContact CZ-CG2 4.37Å; T192-V195 HydrophobicContact CG2-CB 4.4Å; V195-T197 HydrophobicContact CG1-CG2 4.39Å; V195-Y254 VanDerWaalsContact C-OH 3.31Å; V195-Y254 WeakPolarHBondContact CA-OH 3.46Å; V195-Y254 PolarHBondContact N-OH 3.1Å
196M98.9Very high98.1Very high0 Ų042.2 Ų42.20%022%0.216CC..EExtended strand (participates in β ladder)trans-106.3127.6169.3176.4174.2-78.500108.1V172 L173 Y174 V198 Y224 V226 V250 Y254 L372 L375V172-M196 PolarHBondContact O-N 3.37Å; V172-M196 VanDerWaalsContact O-N 3.17Å; L173-M196 HydrophobicContact CD1-CB 4.13Å; L173-M196 HydrophobicContact CD1-CG 4.13Å; L173-M196 HydrophobicContact CD1-SD 4.4Å; Y174-M196 PolarHBondContact N-O 3.12Å; M196-V198 HydrophobicContact CG-CG2 4.04Å; M196-V198 HydrophobicContact SD-CG2 4.32Å; M196-Y224 CarbonylContact C-O 3.5Å; M196-Y224 WeakPolarHBondContact CA-O 3.45Å; M196-Y224 HydrophobicContact CB-CD1 4.48Å; M196-Y224 HydrophobicContact CE-CD1 3.98Å; M196-Y224 HydrophobicContact CE-CG 4.49Å; M196-Y224 WeakPolarHBondContact CG-O 3.43Å; M196-V226 HydrophobicContact CG-CG2 4.45Å; M196-V226 HydrophobicContact SD-CG2 4.29Å; M196-V250 HydrophobicContact SD-CB 4.46Å; M196-V250 HydrophobicContact SD-CG1 3.65Å; M196-V250 HydrophobicContact SD-CG2 4.25Å; M196-Y254 HydrophobicContact CB-CD1 3.69Å; M196-Y254 HydrophobicContact CB-CD2 3.94Å; M196-Y254 HydrophobicContact CB-CE1 3.48Å; M196-Y254 VanDerWaalsContact CB-CE1 3.48Å; M196-Y254 HydrophobicContact CB-CE2 3.76Å; M196-Y254 HydrophobicContact CB-CG 3.92Å; M196-Y254 HydrophobicContact CE-CD2 3.73Å; M196-Y254 HydrophobicContact CE-CG 3.82Å; M196-Y254 HydrophobicContact CG-CD1 4.48Å; M196-Y254 HydrophobicContact CG-CG 4.49Å; M196-Y254 PolarHBondContact N-OH 3.3Å; M196-Y254 VanDerWaalsContact N-OH 3.1Å; M196-Y254 HydrophobicContact SD-CD1 4.12Å; M196-Y254 HydrophobicContact SD-CD2 4.25Å; M196-Y254 HydrophobicContact SD-CG 3.79Å; M196-L372 HydrophobicContact CE-CD2 4.19Å; M196-L372 HydrophobicContact SD-CD2 4.43Å; M196-L375 HydrophobicContact CE-CD1 4.33Å; M196-L375 HydrophobicContact CE-CD2 3.46Å; M196-L375 VanDerWaalsContact CE-CD2 3.46Å
197T98.9Very high98.1Very high7 Ų745.6 Ų45.64%0.04323%0.231CC..EExtended strand (participates in β ladder)trans-101.5130174.556.90000109.5Y174 V185 V195 Y224 V226Y174-T197 HydrophobicContact CD1-CG2 3.94Å; V185-T197 HydrophobicContact CG1-CG2 4.21Å; V195-T197 HydrophobicContact CG1-CG2 4.39Å; T197-Y224 PolarHBondContact N-O 2.95Å; T197-V226 PolarHBondContact O-N 3.21Å
198V98.9Very high98Very high1 Ų142.4 Ų42.41%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-128.3115.3177-1700000109L173 Y174 I175 D176 M196 F200 V226 M247 V250L173-V198 HydrophobicContact CD1-CG2 3.74Å; Y174-V198 PolarHBondContact O-N 2.96Å; I175-V198 CarbonylContact C-O 3.57Å; I175-V198 WeakPolarHBondContact CA-O 3.35Å; D176-V198 PolarHBondContact N-O 3.1Å; M196-V198 HydrophobicContact CG-CG2 4.04Å; M196-V198 HydrophobicContact SD-CG2 4.32Å; V198-F200 HydrophobicContact CG1-CD2 4.47Å; V198-F200 HydrophobicContact CG1-CE2 3.72Å; V198-F200 HydrophobicContact CG1-CZ 4.15Å; V198-V226 VanDerWaalsContact CA-O 3.3Å; V198-V226 WeakPolarHBondContact CA-O 3.48Å; V198-V226 HydrophobicContact CB-CB 4.38Å; V198-V226 HydrophobicContact CG1-CB 4.12Å; V198-V226 HydrophobicContact CG1-CG1 4.04Å; V198-V226 HydrophobicContact CG2-CB 4.08Å; V198-V226 HydrophobicContact CG2-CG2 4.38Å; V198-M247 HydrophobicContact CB-SD 4.35Å; V198-M247 HydrophobicContact CG1-SD 3.82Å; V198-V250 HydrophobicContact CG2-CG1 4.22Å; V198-V250 HydrophobicContact CG2-CG2 4.09Å
199S98.9Very high98Very high3 Ų343.4 Ų43.42%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-125137.1-177.4-177.40000112H201 V226 F228S199-H201 PolarHBondContact OG-ND1 3.42Å; S199-V226 PolarHBondContact N-O 3.16Å; S199-F228 PolarHBondContact O-N 3.35Å
200F98.9Very high97.9Very high1 Ų145.4 Ų45.40%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-119.999.2177.4-63-97.3000109.7D176 V198 F228 L230 Y239 I242 F243 V246 M247D176-F200 PolarHBondContact O-N 3Å; D176-F200 VanDerWaalsContact O-N 3.13Å; V198-F200 HydrophobicContact CG1-CD2 4.47Å; V198-F200 HydrophobicContact CG1-CE2 3.72Å; V198-F200 HydrophobicContact CG1-CZ 4.15Å; F200-F228 HydrophobicContact CD1-CB 3.54Å; F200-F228 HydrophobicContact CD1-CD2 4.13Å; F200-F228 AromaticContact CD1-CG 3.87Å; F200-F228 HydrophobicContact CD1-CG 3.87Å; F200-F228 HydrophobicContact CE1-CB 3.98Å; F200-F228 AromaticContact CE1-CD2 3.9Å; F200-F228 HydrophobicContact CE1-CD2 3.9Å; F200-F228 HydrophobicContact CE1-CG 4.12Å; F200-F228 HydrophobicContact CG-CB 4.21Å; F200-L230 HydrophobicContact CB-CD1 4.5Å; F200-Y239 HydrophobicContact CB-CE2 4.25Å; F200-Y239 VanDerWaalsContact CB-OH 3.23Å; F200-Y239 WeakPolarHBondContact CB-OH 3.39Å; F200-I242 HydrophobicContact CD1-CD1 4.21Å; F200-F243 AromaticContact CD2-CD2 3.99Å; F200-F243 HydrophobicContact CD2-CD2 3.99Å; F200-F243 HydrophobicContact CD2-CE2 4.2Å; F200-F243 HydrophobicContact CE1-CD2 4.31Å; F200-F243 AromaticContact CE2-CD2 3.56Å; F200-F243 HydrophobicContact CE2-CD2 3.56Å; F200-F243 AromaticContact CE2-CE2 3.76Å; F200-F243 HydrophobicContact CE2-CE2 3.76Å; F200-F243 AromaticContact CZ-CD2 3.74Å; F200-F243 HydrophobicContact CZ-CD2 3.74Å; F200-F243 HydrophobicContact CZ-CE2 4.33Å; F200-F243 HydrophobicContact CZ-CG 4.48Å; F200-V246 HydrophobicContact CE1-CB 4.4Å; F200-V246 HydrophobicContact CE1-CG1 4.39Å; F200-V246 HydrophobicContact CZ-CB 4.16Å; F200-V246 HydrophobicContact CZ-CG1 3.94Å; F200-M247 HydrophobicContact CE2-CG 4.49Å; F200-M247 HydrophobicContact CE2-SD 3.95Å; F200-M247 HydrophobicContact CZ-CG 4.39Å; F200-M247 HydrophobicContact CZ-SD 4.11Å
201H98.9Very high97.9Very high0 Ų042.2 Ų42.20%023%0.233CC..EExtended strand (participates in β ladder)trans-140.2161-164.551.3-96.6000112.1I179 H181 S199 G211 N227 F228 L230I179-H201 CarbonylContact O-C 3.58Å; I179-H201 WeakPolarHBondContact O-CA 3.49Å; I179-H201 VanDerWaalsContact O-CB 3.24Å; I179-H201 WeakPolarHBondContact O-CB 3.42Å; H181-H201 HydrophobicContact CB-CB 4.3Å; H181-H201 AromaticContact CD2-CE1 3.44Å; H181-H201 PolarHBondContact CD2-CE1 3.32Å; H181-H201 VanDerWaalsContact CD2-CE1 3.44Å; H181-H201 AromaticContact CD2-ND1 3.62Å; H181-H201 AromaticContact CG-CE1 3.83Å; H181-H201 AromaticContact CG-ND1 4Å; S199-H201 PolarHBondContact OG-ND1 3.42Å; H201-G211 PolarHBondContact NE2-O 3.2Å; H201-N227 PolarHBondContact CE1-OD1 3.27Å; H201-F228 PolarHBondContact N-O 2.88Å; H201-L230 WeakPolarHBondContact O-CB 3.24Å; H201-L230 PolarHBondContact O-N 3.49Å
202K98.7Very high97.9Very high27 Ų2738.5 Ų38.512%0.11721%0.21CC..EExtended strand (participates in β ladder)trans-66.9135.8168.6169.8167.1165.559.90110.2I179 Y206 L230 D232 C275 F276I179-K202 HydrophobicContact CD1-CB 4.47Å; I179-K202 HydrophobicContact CG1-CB 4.02Å; I179-K202 PolarHBondContact O-N 3.14Å; K202-Y206 HydrophobicContact CB-CD1 3.8Å; K202-Y206 HydrophobicContact CB-CE1 4.06Å; K202-Y206 HydrophobicContact CB-CG 4.28Å; K202-Y206 HydrophobicContact CD-CD1 3.88Å; K202-Y206 HydrophobicContact CD-CD2 3.6Å; K202-Y206 HydrophobicContact CD-CE1 4.12Å; K202-Y206 HydrophobicContact CD-CE2 3.85Å; K202-Y206 HydrophobicContact CD-CG 3.6Å; K202-Y206 HydrophobicContact CG-CD1 3.77Å; K202-Y206 HydrophobicContact CG-CD2 4.25Å; K202-Y206 HydrophobicContact CG-CE1 4.32Å; K202-Y206 HydrophobicContact CG-CG 3.71Å; K202-L230 WeakPolarHBondContact CA-O 3.5Å; K202-D232 WeakPolarHBondContact CD-OD1 3.4Å; K202-D232 VanDerWaalsContact CE-OD1 3.28Å; K202-D232 WeakPolarHBondContact CE-OD1 3.45Å; K202-D232 IonicContact NZ-OD1 3.65Å; K202-D232 PolarHBondContact NZ-OD1 3.26Å; K202-C275 WeakPolarHBondContact CD-SG 3.38Å; K202-F276 HydrophobicContact CB-CE1 4.01Å; K202-F276 HydrophobicContact CB-CZ 4.36Å
203Y98.3Very high97.9Very high75 Ų7537.7 Ų37.729%0.29420%0.204SC..  trans-133.5144.4177-173.5-101.7000112.2D212 P229 L230Y203-D212 HydrophobicContact CE1-CB 4.34Å; Y203-D212 HydrophobicContact CE2-CB 4.17Å; Y203-D212 WeakPolarHBondContact OH-CB 3.45Å; Y203-D212 PolarHBondContact OH-OD2 2.77Å; Y203-P229 HydrophobicContact CD1-CB 3.93Å; Y203-P229 HydrophobicContact CG-CB 3.75Å; Y203-L230 PolarHBondContact N-O 3.19Å
204G93.2Very high97.9Very high40 Ų4043.4 Ų43.441%0.41222%0.221SC..SBendtrans98.5112.8-17500000112.5Y206G204-Y206 VanDerWaalsContact C-N 3.26Å; G204-Y206 PolarHBondContact O-N 2.87Å
205E94Very high97.9Very high211 Ų21143.5 Ų43.599%0.98622%0.224SC*.SBendtrans47.645.8-176-62.8-177.5-177.200113
206Y97.7Very high97.9Very high49 Ų4945 Ų4519%0.19223%0.232CC..  trans-140.6149.6-178.7-153.8-115.2000110.8I179 H180 K202 G204 G209 L273I179-Y206 HydrophobicContact CG1-CE1 4.48Å; I179-Y206 HydrophobicContact CG2-CE1 4.19Å; H180-Y206 AromaticContact CD2-CE1 3.41Å; H180-Y206 VanDerWaalsContact CD2-CE1 3.41Å; H180-Y206 WeakPolarHBondContact CD2-CE1 3.28Å; H180-Y206 AromaticContact NE2-CE1 3.52Å; H180-Y206 AromaticContact NE2-CZ 3.73Å; K202-Y206 HydrophobicContact CB-CD1 3.8Å; K202-Y206 HydrophobicContact CB-CE1 4.06Å; K202-Y206 HydrophobicContact CB-CG 4.28Å; K202-Y206 HydrophobicContact CD-CD1 3.88Å; K202-Y206 HydrophobicContact CD-CD2 3.6Å; K202-Y206 HydrophobicContact CD-CE1 4.12Å; K202-Y206 HydrophobicContact CD-CE2 3.85Å; K202-Y206 HydrophobicContact CD-CG 3.6Å; K202-Y206 HydrophobicContact CG-CD1 3.77Å; K202-Y206 HydrophobicContact CG-CD2 4.25Å; K202-Y206 HydrophobicContact CG-CE1 4.32Å; K202-Y206 HydrophobicContact CG-CG 3.71Å; G204-Y206 VanDerWaalsContact C-N 3.26Å; G204-Y206 PolarHBondContact O-N 2.87Å; Y206-G209 WeakPolarHBondContact O-CA 3.42Å; Y206-G209 PolarHBondContact O-N 3.04Å; Y206-L273 PolarHBondContact OH-O 3.37Å
207F98Very high97.9Very high82 Ų8245.4 Ų45.436%0.3624%0.237SC..THydrogen-bonded Turntrans-66.4142.2174.2-176-90.8000110H143 S150 H180H143-F207 AromaticContact CD2-CE1 3.68Å; H143-F207 AromaticContact CE1-CE1 3.62Å; H143-F207 AromaticContact CG-CE1 3.86Å; H143-F207 AromaticContact ND1-CE1 3.81Å; H143-F207 AromaticContact NE2-CD1 3.88Å; H143-F207 AromaticContact NE2-CE1 3.48Å; H143-F207 WeakPolarHBondContact NE2-CE1 3.37Å; S150-F207 WeakPolarHBondContact OG-CZ 3.33Å; H180-F207 PolarHBondContact CD2-O 3.25Å
208P98.1Very high97.8Very high32 Ų3246.9 Ų46.921%0.20825%0.25CC..THydrogen-bonded Turncis-88.32.1-0.334.2-35000114.8H181 D183H181-P208 HydrophobicContact CB-CG 3.98Å; D183-P208 HydrophobicContact CB-CB 4.49Å; D183-P208 HydrophobicContact CB-CG 3.82Å
209G97.6Very high97.7Very high52 Ų5250.2 Ų50.254%0.53628%0.284SS..  trans85.65.6-17900000115.2Y206Y206-G209 WeakPolarHBondContact O-CA 3.42Å; Y206-G209 PolarHBondContact O-N 3.04Å
210T98.4Very high97.6Very high58 Ų5857.6 Ų57.636%0.35632%0.316SS..  trans-111.2178.5173.455.60000110.7H181 D183H181-T210 PolarHBondContact ND1-OG1 3.05Å; D183-T210 WeakPolarHBondContact CB-OG1 3.4Å
211G98.1Very high97.6Very high0 Ų057.6 Ų57.60%032%0.317CS..  trans92.329.8178.600000113.2H181 H201 D215H181-G211 PolarHBondContact ND1-N 2.57Å; H201-G211 PolarHBondContact NE2-O 3.2Å; G211-D215 PolarHBondContact N-OD2 2.67Å; G211-D215 VanDerWaalsContact N-OD2 3.1Å
212D98.1Very high97.5Very high20 Ų2062.2 Ų62.211%0.10734%0.337CS..  trans-62.7155.9172.9-165.6-71000109.9Y203 R214 D215Y203-D212 HydrophobicContact CE1-CB 4.34Å; Y203-D212 HydrophobicContact CE2-CB 4.17Å; Y203-D212 WeakPolarHBondContact OH-CB 3.45Å; Y203-D212 PolarHBondContact OH-OD2 2.77Å; D212-R214 PolarHBondContact O-N 2.94Å; D212-R214 IonicContact OD1-CZ 3.93Å; D212-R214 PolarHBondContact OD1-N 2.86Å; D212-R214 IonicContact OD1-NE 2.93Å; D212-R214 PolarHBondContact OD1-NE 2.8Å; D212-R214 IonicContact OD1-NH2 3.72Å; D212-R214 IonicContact OD2-CZ 2.79Å; D212-R214 IonicContact OD2-NE 3.48Å; D212-R214 IonicContact OD2-NH2 3.82Å; D212-R214 PolarHBondContact OD2-NH2 2.81Å; D212-D215 PolarHBondContact N-OD2 3.23Å; D212-D215 WeakPolarHBondContact O-CB 3.47Å; D212-D215 PolarHBondContact O-N 3.5Å
213L97.2Very high97.5Very high21 Ų2163.6 Ų63.611%0.1134%0.342CS..THydrogen-bonded Turntrans-54.8-22.5171.2-177.556.3000113.7P229 I364 R367 L368L213-P229 HydrophobicContact CB-CG 4.05Å; L213-I364 HydrophobicContact CD1-CG2 4.01Å; L213-I364 HydrophobicContact CD2-CG1 4.23Å; L213-R367 HydrophobicContact CD1-CB 4.4Å; L213-R367 HydrophobicContact CD2-CB 4.19Å; L213-R367 VanDerWaalsContact CD2-CD 3.45Å; L213-R367 HydrophobicContact CD2-CG 4.48Å; L213-L368 HydrophobicContact CD1-CD2 3.48Å; L213-L368 VanDerWaalsContact CD1-CD2 3.48Å; L213-L368 HydrophobicContact CD1-CG 3.94Å
214R98Very high97.5Very high185 Ų18561.4 Ų61.470%0.69833%0.333SS*.THydrogen-bonded Turntrans-88.2-11178.4-65.8169.1-69.7166.13.5113.6D212 I216D212-R214 PolarHBondContact O-N 2.94Å; D212-R214 IonicContact OD1-CZ 3.93Å; D212-R214 PolarHBondContact OD1-N 2.86Å; D212-R214 IonicContact OD1-NE 2.93Å; D212-R214 PolarHBondContact OD1-NE 2.8Å; D212-R214 IonicContact OD1-NH2 3.72Å; D212-R214 IonicContact OD2-CZ 2.79Å; D212-R214 IonicContact OD2-NE 3.48Å; D212-R214 IonicContact OD2-NH2 3.82Å; D212-R214 PolarHBondContact OD2-NH2 2.81Å; R214-I216 PolarHBondContact O-N 2.95Å; R214-I216 VanDerWaalsContact O-N 3.08Å
215D98.2Very high97.8Very high47 Ų4759.8 Ų59.825%0.25132%0.315SS..  trans-78.294.7176.1-62.8-23.4000108G211 D212 N227G211-D215 PolarHBondContact N-OD2 2.67Å; G211-D215 VanDerWaalsContact N-OD2 3.1Å; D212-D215 PolarHBondContact N-OD2 3.23Å; D212-D215 WeakPolarHBondContact O-CB 3.47Å; D212-D215 PolarHBondContact O-N 3.5Å; D215-N227 PolarHBondContact O-ND2 2.92Å
216I98.6Very high98Very high33 Ų3350 Ų5017%0.16927%0.27CS..  trans-119.315.1-170.762.1168.4000113R214 K222 Y223 N371R214-I216 PolarHBondContact O-N 2.95Å; R214-I216 VanDerWaalsContact O-N 3.08Å; I216-K222 HydrophobicContact CD1-CG 4.2Å; I216-K222 HydrophobicContact CG1-CG 4.45Å; I216-K222 CarbonylContact O-C 3.6Å; I216-K222 WeakPolarHBondContact O-CA 3.2Å; I216-Y223 HydrophobicContact CD1-CD1 4.1Å; I216-Y223 HydrophobicContact CD1-CE1 3.81Å; I216-Y223 WeakPolarHBondContact O-CA 3.35Å; I216-Y223 PolarHBondContact O-N 3.12Å; I216-N371 WeakPolarHBondContact CG2-ND2 3.49Å
217G98.3Very high98.1Very high10 Ų1047.8 Ų47.810%0.10326%0.262CS..  trans82.4172.6-175.700000113.6Y190Y190-G217 VanDerWaalsContact CZ-CA 3.42Å; Y190-G217 PolarHBondContact OH-N 3.07Å
218A98Very high98.1Very high38 Ų3844 Ų4431%0.31425%0.245SC..  trans-136.1157-176.100000112.6Y190 T191 K220 G221 K222Y190-A218 HydrophobicContact CD1-CB 3.82Å; Y190-A218 HydrophobicContact CE1-CB 3.84Å; Y190-A218 PolarHBondContact O-N 2.91Å; T191-A218 WeakPolarHBondContact CA-O 3.45Å; T191-A218 HydrophobicContact CG2-CB 4.42Å; A218-K220 PolarHBondContact O-N 3.49Å; A218-G221 WeakPolarHBondContact O-CA 3.46Å; A218-G221 PolarHBondContact O-N 2.95Å; A218-K222 PolarHBondContact O-N 3.45Å
219G97.6Very high98.2Very high71 Ų7142.8 Ų42.873%0.73224%0.237SC*.G310 helixtrans57.4-125.9179.300000111.9G221 K222G219-G221 VanDerWaalsContact C-N 3.3Å; G219-K222 WeakPolarHBondContact O-CB 3.43Å; G219-K222 PolarHBondContact O-N 2.99Å
220K96.4Very high98.2Very high157 Ų15740.3 Ų40.368%0.68321%0.212SC*.G310 helixtrans-68.1-28.8175.4-68.8-173.7176.4-174.70112.9A218 K222A218-K220 PolarHBondContact O-N 3.49Å; K220-K222 PolarHBondContact O-N 3.47Å
221G97.7Very high98.2Very high2 Ų243 Ų432%0.02122%0.216CC..G310 helixtrans-79.32.2177.400000114.5T191 T192 A218 G219 Y223 Y224T191-G221 PolarHBondContact O-N 2.87Å; T192-G221 WeakPolarHBondContact O-CA 3.43Å; A218-G221 WeakPolarHBondContact O-CA 3.46Å; A218-G221 PolarHBondContact O-N 2.95Å; G219-G221 VanDerWaalsContact C-N 3.3Å; G221-Y223 PolarHBondContact O-N 3.11Å; G221-Y224 WeakPolarHBondContact O-CB 3.49Å; G221-Y224 PolarHBondContact O-N 3.49Å
222K98.1Very high98.2Very high97 Ų9745.1 Ų45.142%0.42223%0.226SC..THydrogen-bonded Turntrans-63.1130.2175.1-169.7-179-178.9-178.10110.5I216 A218 G219 K220 Y224I216-K222 HydrophobicContact CD1-CG 4.2Å; I216-K222 HydrophobicContact CG1-CG 4.45Å; I216-K222 CarbonylContact O-C 3.6Å; I216-K222 WeakPolarHBondContact O-CA 3.2Å; A218-K222 PolarHBondContact O-N 3.45Å; G219-K222 WeakPolarHBondContact O-CB 3.43Å; G219-K222 PolarHBondContact O-N 2.99Å; K220-K222 PolarHBondContact O-N 3.47Å; K222-Y224 VanDerWaalsContact C-N 3.29Å; K222-Y224 VanDerWaalsContact O-CD2 3.32Å; K222-Y224 WeakPolarHBondContact O-CD2 3.24Å
223Y98.4Very high98.3Very high56 Ų5644.1 Ų44.122%0.2222%0.221CC..THydrogen-bonded Turntrans73.73.4-168.8-49.4-68.6000115.9I216 G221 N371 M374I216-Y223 HydrophobicContact CD1-CD1 4.1Å; I216-Y223 HydrophobicContact CD1-CE1 3.81Å; I216-Y223 WeakPolarHBondContact O-CA 3.35Å; I216-Y223 PolarHBondContact O-N 3.12Å; G221-Y223 PolarHBondContact O-N 3.11Å; Y223-N371 HydrophobicContact CD1-CB 4.08Å; Y223-M374 HydrophobicContact CD1-CB 4.1Å; Y223-M374 HydrophobicContact CD1-CG 4.24Å; Y223-M374 HydrophobicContact CD2-CB 3.69Å; Y223-M374 HydrophobicContact CD2-CG 4.43Å; Y223-M374 HydrophobicContact CE1-CB 4.14Å; Y223-M374 HydrophobicContact CE1-CG 3.88Å; Y223-M374 HydrophobicContact CE2-CB 3.75Å; Y223-M374 HydrophobicContact CE2-CE 4.5Å; Y223-M374 HydrophobicContact CE2-CG 4.1Å; Y223-M374 HydrophobicContact CG-CB 3.87Å; Y223-M374 HydrophobicContact CG-CG 4.5Å
224Y98.6Very high98.3Very high29 Ų2943.1 Ų43.111%0.11422%0.216CC..  trans-101.70.1177.2-65.5-98.7000113.5D193 M196 T197 G221 K222 Y254 L375D193-Y224 HydrophobicContact CB-CD1 4.17Å; D193-Y224 HydrophobicContact CB-CD2 4.02Å; D193-Y224 HydrophobicContact CB-CE1 3.8Å; D193-Y224 HydrophobicContact CB-CE2 3.66Å; D193-Y224 HydrophobicContact CB-CG 4.28Å; D193-Y224 WeakPolarHBondContact O-CE1 3.38Å; M196-Y224 CarbonylContact C-O 3.5Å; M196-Y224 WeakPolarHBondContact CA-O 3.45Å; M196-Y224 HydrophobicContact CB-CD1 4.48Å; M196-Y224 HydrophobicContact CE-CD1 3.98Å; M196-Y224 HydrophobicContact CE-CG 4.49Å; M196-Y224 WeakPolarHBondContact CG-O 3.43Å; T197-Y224 PolarHBondContact N-O 2.95Å; G221-Y224 WeakPolarHBondContact O-CB 3.49Å; G221-Y224 PolarHBondContact O-N 3.49Å; K222-Y224 VanDerWaalsContact C-N 3.29Å; K222-Y224 VanDerWaalsContact O-CD2 3.32Å; K222-Y224 WeakPolarHBondContact O-CD2 3.24Å; Y224-Y254 AromaticContact CD1-CD2 3.82Å; Y224-Y254 HydrophobicContact CD1-CD2 3.82Å; Y224-Y254 AromaticContact CD1-CE2 3.55Å; Y224-Y254 HydrophobicContact CD1-CE2 3.55Å; Y224-Y254 AromaticContact CE1-CD2 3.68Å; Y224-Y254 HydrophobicContact CE1-CD2 3.68Å; Y224-Y254 AromaticContact CE1-CE2 3.58Å; Y224-Y254 HydrophobicContact CE1-CE2 3.58Å; Y224-L375 HydrophobicContact CD1-CD2 4.4Å; Y224-L375 HydrophobicContact CE1-CD2 3.88Å; Y224-L375 HydrophobicContact CE1-CG 4.34Å; Y224-L375 HydrophobicContact CE2-CG 4.48Å
225A98.8Very high98.4Very high5 Ų536.3 Ų36.34%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-107.2125.5163.900000109.2E186 Y190E186-A225 HydrophobicContact CG-CB 4.27Å; Y190-A225 HydrophobicContact CE2-CB 4.33Å
226V98.9Very high98.4Very high7 Ų735.2 Ų35.24%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-125.4110.8-174.7-177.90000109M196 T197 V198 S199 L368 L372M196-V226 HydrophobicContact CG-CG2 4.45Å; M196-V226 HydrophobicContact SD-CG2 4.29Å; T197-V226 PolarHBondContact O-N 3.21Å; V198-V226 VanDerWaalsContact CA-O 3.3Å; V198-V226 WeakPolarHBondContact CA-O 3.48Å; V198-V226 HydrophobicContact CB-CB 4.38Å; V198-V226 HydrophobicContact CG1-CB 4.12Å; V198-V226 HydrophobicContact CG1-CG1 4.04Å; V198-V226 HydrophobicContact CG2-CB 4.08Å; V198-V226 HydrophobicContact CG2-CG2 4.38Å; S199-V226 PolarHBondContact N-O 3.16Å; V226-L368 HydrophobicContact CG1-CD1 4.2Å; V226-L368 HydrophobicContact CG1-CD2 4.08Å; V226-L372 HydrophobicContact CG2-CD2 4.08Å
227N98.9Very high98.4Very high2 Ų239.3 Ų39.31%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-114.9123.9-176-72.2-56.7000111.7H181 E186 H201 D215 P229H181-N227 PolarHBondContact CD2-OD1 3.06Å; H181-N227 PolarHBondContact NE2-OD1 3.26Å; E186-N227 PolarHBondContact OE1-ND2 3.4Å; E186-N227 PolarHBondContact OE2-ND2 2.88Å; E186-N227 PolarHBondContact OE2-OD1 3.24Å; H201-N227 PolarHBondContact CE1-OD1 3.27Å; D215-N227 PolarHBondContact O-ND2 2.92Å; N227-P229 WeakPolarHBondContact O-CD 3.43Å
228F98.8Very high98.4Very high2 Ų239.3 Ų39.31%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-106.990.4174-155.7-57.2000109.8S199 F200 H201 L230 I242 V246 M361 I364 K365 L368S199-F228 PolarHBondContact O-N 3.35Å; F200-F228 HydrophobicContact CD1-CB 3.54Å; F200-F228 HydrophobicContact CD1-CD2 4.13Å; F200-F228 AromaticContact CD1-CG 3.87Å; F200-F228 HydrophobicContact CD1-CG 3.87Å; F200-F228 HydrophobicContact CE1-CB 3.98Å; F200-F228 AromaticContact CE1-CD2 3.9Å; F200-F228 HydrophobicContact CE1-CD2 3.9Å; F200-F228 HydrophobicContact CE1-CG 4.12Å; F200-F228 HydrophobicContact CG-CB 4.21Å; H201-F228 PolarHBondContact N-O 2.88Å; F228-L230 HydrophobicContact CD1-CD2 3.51Å; F228-L230 HydrophobicContact CD1-CG 3.93Å; F228-L230 HydrophobicContact CE1-CD2 3.49Å; F228-L230 VanDerWaalsContact CE1-CD2 3.49Å; F228-L230 HydrophobicContact CE1-CG 4.41Å; F228-L230 PolarHBondContact O-N 3.37Å; F228-I242 HydrophobicContact CD1-CD1 3.89Å; F228-I242 HydrophobicContact CD2-CD1 4.26Å; F228-I242 HydrophobicContact CE1-CD1 3.61Å; F228-I242 HydrophobicContact CE1-CG2 4.49Å; F228-I242 HydrophobicContact CE2-CB 3.75Å; F228-I242 HydrophobicContact CE2-CD1 4.01Å; F228-I242 HydrophobicContact CE2-CG1 4.42Å; F228-I242 HydrophobicContact CE2-CG2 4.02Å; F228-I242 HydrophobicContact CG-CD1 4.23Å; F228-I242 HydrophobicContact CZ-CB 3.83Å; F228-I242 HydrophobicContact CZ-CD1 3.68Å; F228-I242 HydrophobicContact CZ-CG1 4.36Å; F228-I242 HydrophobicContact CZ-CG2 3.65Å; F228-V246 HydrophobicContact CD2-CG2 4.16Å; F228-V246 HydrophobicContact CE2-CG2 4.17Å; F228-M361 HydrophobicContact CZ-CB 4.48Å; F228-I364 HydrophobicContact CD1-CG2 3.83Å; F228-I364 HydrophobicContact CD2-CG2 3.96Å; F228-I364 HydrophobicContact CE1-CB 4.05Å; F228-I364 HydrophobicContact CE1-CD1 4.19Å; F228-I364 HydrophobicContact CE1-CG2 3.68Å; F228-I364 HydrophobicContact CE2-CB 4.44Å; F228-I364 HydrophobicContact CE2-CG2 3.83Å; F228-I364 HydrophobicContact CG-CG2 3.96Å; F228-I364 HydrophobicContact CZ-CB 3.93Å; F228-I364 HydrophobicContact CZ-CG2 3.68Å; F228-K365 HydrophobicContact CE2-CB 4.28Å; F228-L368 HydrophobicContact CB-CD1 4.17Å; F228-L368 HydrophobicContact CD2-CD1 3.5Å; F228-L368 VanDerWaalsContact CD2-CD1 3.5Å; F228-L368 HydrophobicContact CE2-CD1 4.17Å; F228-L368 HydrophobicContact CG-CD1 4.12Å
229P98.7Very high98.4Very high7 Ų737.6 Ų37.65%0.04519%0.19CC..EExtended strand (participates in β ladder)trans-73.3125.8179.327-33.6000111.7Y203 L213 N227 Y360 I364Y203-P229 HydrophobicContact CD1-CB 3.93Å; Y203-P229 HydrophobicContact CG-CB 3.75Å; L213-P229 HydrophobicContact CB-CG 4.05Å; N227-P229 WeakPolarHBondContact O-CD 3.43Å; P229-Y360 PolarHBondContact O-OH 3.02Å; P229-I364 HydrophobicContact CG-CD1 4.09Å; P229-I364 VanDerWaalsContact O-CD1 3.25Å; P229-I364 WeakPolarHBondContact O-CD1 3.41Å
230L98.8Very high98.5Very high0 Ų036.7 Ų36.70%017%0.167CC..EExtended strand (participates in β ladder)trans-116.7161.9-176.7-64.9171.6000112.1F200 H201 K202 Y203 F228 I234 Y239 I242 F276F200-L230 HydrophobicContact CB-CD1 4.5Å; H201-L230 WeakPolarHBondContact O-CB 3.24Å; H201-L230 PolarHBondContact O-N 3.49Å; K202-L230 WeakPolarHBondContact CA-O 3.5Å; Y203-L230 PolarHBondContact N-O 3.19Å; F228-L230 HydrophobicContact CD1-CD2 3.51Å; F228-L230 HydrophobicContact CD1-CG 3.93Å; F228-L230 HydrophobicContact CE1-CD2 3.49Å; F228-L230 VanDerWaalsContact CE1-CD2 3.49Å; F228-L230 HydrophobicContact CE1-CG 4.41Å; F228-L230 PolarHBondContact O-N 3.37Å; L230-I234 HydrophobicContact CD1-CD1 3.88Å; L230-I234 HydrophobicContact CD2-CD1 3.77Å; L230-I234 HydrophobicContact CG-CD1 4.4Å; L230-Y239 HydrophobicContact CD1-CD2 4.35Å; L230-Y239 HydrophobicContact CD1-CE2 4.06Å; L230-I242 HydrophobicContact CD1-CD1 4.35Å; L230-I242 HydrophobicContact CD2-CD1 3.84Å; L230-F276 HydrophobicContact CB-CE1 4.04Å; L230-F276 HydrophobicContact CB-CZ 3.69Å; L230-F276 HydrophobicContact CD1-CE2 3.9Å; L230-F276 HydrophobicContact CD1-CZ 3.59Å; L230-F276 HydrophobicContact CG-CZ 4.28Å
231R98.6Very high98.5Very high115 Ų11534.6 Ų34.643%0.43416%0.157SC..  trans-106.4173.3172-61.2179.5175.9-178.9-4.5110.3Q355 N356 Y360R231-Q355 HydrophobicContact CB-CB 3.86Å; R231-N356 PolarHBondContact N-OD1 3.22Å; R231-N356 PolarHBondContact O-ND2 3.33Å; R231-Y360 HydrophobicContact CG-CE1 4.37Å
232D98.6Very high98.6Very high43 Ų4334.6 Ų34.623%0.2316%0.157CC..THydrogen-bonded Turntrans-58.2151.5-178.2-55.50.9000113K202 I234 C275 Q355 N356K202-D232 WeakPolarHBondContact CD-OD1 3.4Å; K202-D232 VanDerWaalsContact CE-OD1 3.28Å; K202-D232 WeakPolarHBondContact CE-OD1 3.45Å; K202-D232 IonicContact NZ-OD1 3.65Å; K202-D232 PolarHBondContact NZ-OD1 3.26Å; D232-I234 PolarHBondContact O-N 2.96Å; D232-C275 PolarHBondContact OD1-SG 2.6Å; D232-C275 VanDerWaalsContact OD1-SG 3.41Å; D232-Q355 PolarHBondContact O-N 3.42Å; D232-N356 PolarHBondContact O-ND2 3.3Å
233G98.4Very high98.6Very high0 Ų030 Ų300%014%0.137CC..THydrogen-bonded Turntrans74.719.5166.500000115.9D235 C275 M352 N354G233-D235 PolarHBondContact O-N 3.2Å; G233-C275 PolarHBondContact N-O 2.98Å; G233-M352 VanDerWaalsContact CA-SD 3.53Å; G233-N354 VanDerWaalsContact O-CA 3.23Å; G233-N354 WeakPolarHBondContact O-CA 3.42Å; G233-N354 WeakPolarHBondContact O-CB 3.26Å
234I98.8Very high98.6Very high0 Ų030.4 Ų30.40%014%0.14CC..  trans-56.6133.5174.8-166161.5000110.9L230 D232 Y239 I242 F276 N277 L278 M361L230-I234 HydrophobicContact CD1-CD1 3.88Å; L230-I234 HydrophobicContact CD2-CD1 3.77Å; L230-I234 HydrophobicContact CG-CD1 4.4Å; D232-I234 PolarHBondContact O-N 2.96Å; I234-Y239 HydrophobicContact CD1-CD2 3.86Å; I234-Y239 HydrophobicContact CD1-CG 4.44Å; I234-Y239 HydrophobicContact CG1-CD2 4.31Å; I234-Y239 HydrophobicContact CG2-CD2 4.06Å; I234-I242 HydrophobicContact CD1-CD1 4.1Å; I234-F276 HydrophobicContact CG2-CB 4.04Å; I234-F276 HydrophobicContact CG2-CD1 3.69Å; I234-F276 HydrophobicContact CG2-CD2 3.48Å; I234-F276 VanDerWaalsContact CG2-CD2 3.48Å; I234-F276 HydrophobicContact CG2-CE1 3.94Å; I234-F276 HydrophobicContact CG2-CE2 3.78Å; I234-F276 HydrophobicContact CG2-CG 3.45Å; I234-F276 VanDerWaalsContact CG2-CG 3.45Å; I234-F276 HydrophobicContact CG2-CZ 4.01Å; I234-N277 CarbonylContact O-C 3.52Å; I234-N277 WeakPolarHBondContact O-CA 3.32Å; I234-N277 WeakPolarHBondContact O-CB 3.43Å; I234-N277 PolarHBondContact O-N 3.15Å; I234-L278 HydrophobicContact CG2-CD2 4.29Å; I234-M361 HydrophobicContact CD1-SD 4.38Å
235D98.5Very high98.6Very high41 Ų4131.2 Ų31.222%0.21915%0.149CC..  trans-99.4168.8178.855.341.3000112.2G233 E237 S238 Y239 N354G233-D235 PolarHBondContact O-N 3.2Å; D235-E237 VanDerWaalsContact C-N 3.32Å; D235-E237 PolarHBondContact O-N 3.35Å; D235-S238 PolarHBondContact O-N 2.74Å; D235-S238 WeakPolarHBondContact OD1-CA 3.21Å; D235-S238 WeakPolarHBondContact OD1-CB 3.35Å; D235-S238 PolarHBondContact OD1-N 3.31Å; D235-S238 PolarHBondContact OD1-OG 2.92Å; D235-Y239 WeakPolarHBondContact O-CB 3.21Å; D235-Y239 PolarHBondContact O-N 3.24Å; D235-N354 VanDerWaalsContact CG-ND2 3.32Å; D235-N354 PolarHBondContact OD2-ND2 2.93Å
236D98.7Very high98.6Very high24 Ų2431 Ų3113%0.12815%0.147CC..Hα-helixtrans-56-45-178.2-68.9-5.1000112.1Y239 E240 L278 T279 G282D236-Y239 PolarHBondContact O-N 3.44Å; D236-E240 WeakPolarHBondContact O-CB 3.42Å; D236-E240 PolarHBondContact O-N 3Å; D236-L278 WeakPolarHBondContact OD1-CA 3.42Å; D236-T279 PolarHBondContact OD1-N 3.13Å; D236-T279 WeakPolarHBondContact OD2-CB 3.4Å; D236-T279 VanDerWaalsContact OD2-CG2 3.32Å; D236-T279 WeakPolarHBondContact OD2-CG2 3.45Å; D236-T279 PolarHBondContact OD2-OG1 3.35Å; D236-G282 VanDerWaalsContact CG-CA 3.47Å; D236-G282 WeakPolarHBondContact OD1-CA 3.28Å; D236-G282 PolarHBondContact OD2-N 2.93Å
237E98.3Very high98.6Very high119 Ų11930.6 Ų30.656%0.55615%0.145SC*.Hα-helixtrans-66.4-41.1-177.5-65.879.1-173.900112.1D235 K241D235-E237 VanDerWaalsContact C-N 3.32Å; D235-E237 PolarHBondContact O-N 3.35Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 WeakPolarHBondContact O-CD 3.47Å; E237-K241 WeakPolarHBondContact O-CG 3.33Å; E237-K241 PolarHBondContact O-N 3.41Å
238S98.5Very high98.6Very high10 Ų1032.3 Ų32.37%0.0716%0.159CC..Hα-helixtrans-68.5-44.5178-62.60000110.9D235 K241 I242 N354D235-S238 PolarHBondContact O-N 2.74Å; D235-S238 WeakPolarHBondContact OD1-CA 3.21Å; D235-S238 WeakPolarHBondContact OD1-CB 3.35Å; D235-S238 PolarHBondContact OD1-N 3.31Å; D235-S238 PolarHBondContact OD1-OG 2.92Å; S238-K241 PolarHBondContact O-N 3.35Å; S238-I242 PolarHBondContact O-N 3Å; S238-N354 PolarHBondContact OG-ND2 3.19Å; S238-N354 VanDerWaalsContact OG-ND2 3.1Å
239Y98.8Very high98.5Very high2 Ų233.7 Ų33.71%0.00817%0.165CC..Hα-helixtrans-63.7-46179.3-157.8-80.8000111.3I177 F200 L230 I234 D235 D236 K241 I242 F243 F276 L278I177-Y239 WeakPolarHBondContact CG2-OH 3.4Å; F200-Y239 HydrophobicContact CB-CE2 4.25Å; F200-Y239 VanDerWaalsContact CB-OH 3.23Å; F200-Y239 WeakPolarHBondContact CB-OH 3.39Å; L230-Y239 HydrophobicContact CD1-CD2 4.35Å; L230-Y239 HydrophobicContact CD1-CE2 4.06Å; I234-Y239 HydrophobicContact CD1-CD2 3.86Å; I234-Y239 HydrophobicContact CD1-CG 4.44Å; I234-Y239 HydrophobicContact CG1-CD2 4.31Å; I234-Y239 HydrophobicContact CG2-CD2 4.06Å; D235-Y239 WeakPolarHBondContact O-CB 3.21Å; D235-Y239 PolarHBondContact O-N 3.24Å; D236-Y239 PolarHBondContact O-N 3.44Å; Y239-K241 VanDerWaalsContact C-N 3.32Å; Y239-K241 PolarHBondContact O-N 3.29Å; Y239-I242 WeakPolarHBondContact O-CG1 3.45Å; Y239-I242 PolarHBondContact O-N 2.87Å; Y239-F243 HydrophobicContact CD1-CB 4.09Å; Y239-F243 HydrophobicContact CE1-CB 4.15Å; Y239-F243 AromaticContact CE1-CD2 3.92Å; Y239-F243 HydrophobicContact CE1-CD2 3.92Å; Y239-F243 HydrophobicContact CE1-CG 4.29Å; Y239-F243 VanDerWaalsContact O-CB 3.28Å; Y239-F243 WeakPolarHBondContact O-CB 3.49Å; Y239-F243 PolarHBondContact O-N 3.31Å; Y239-F276 HydrophobicContact CE2-CE2 4.22Å; Y239-L278 HydrophobicContact CD2-CD1 3.87Å; Y239-L278 HydrophobicContact CD2-CD2 4.01Å; Y239-L278 HydrophobicContact CD2-CG 4.48Å; Y239-L278 HydrophobicContact CE2-CD1 4.01Å; Y239-L278 HydrophobicContact CG-CD1 4.18Å; Y239-L278 HydrophobicContact CG-CD2 3.98Å
240E98.5Very high98.5Very high53 Ų5333.4 Ų33.425%0.24816%0.163CC..Hα-helixtrans-61.5-39177.1-176175.6-169.600112.4D236 I242 K244 K285D236-E240 WeakPolarHBondContact O-CB 3.42Å; D236-E240 PolarHBondContact O-N 3Å; E240-I242 PolarHBondContact O-N 3.16Å; E240-K244 HydrophobicContact CG-CD 3.92Å; E240-K244 HydrophobicContact CG-CG 4.28Å; E240-K244 PolarHBondContact O-N 2.92Å; E240-K244 VanDerWaalsContact OE1-CE 3.29Å; E240-K244 WeakPolarHBondContact OE1-CE 3.44Å; E240-K244 IonicContact OE1-NZ 2.66Å; E240-K244 PolarHBondContact OE1-NZ 3.25Å; E240-K285 WeakPolarHBondContact OE2-CD 3.13Å; E240-K285 IonicContact OE2-NZ 3.27Å; E240-K285 PolarHBondContact OE2-NZ 3.37Å
241K97.9Very high98.5Very high112 Ų11234.4 Ų34.449%0.48717%0.168SC..Hα-helixtrans-64.7-20.9178.3-81.1172.1-174.9171.40114.1E237 S238 Y239 P245E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 WeakPolarHBondContact O-CD 3.47Å; E237-K241 WeakPolarHBondContact O-CG 3.33Å; E237-K241 PolarHBondContact O-N 3.41Å; S238-K241 PolarHBondContact O-N 3.35Å; Y239-K241 VanDerWaalsContact C-N 3.32Å; Y239-K241 PolarHBondContact O-N 3.29Å; K241-P245 WeakPolarHBondContact O-CD 3.48Å; K241-P245 VanDerWaalsContact O-CG 3.29Å; K241-P245 WeakPolarHBondContact O-CG 3.48Å
242I98.4Very high98.4Very high2 Ų234.1 Ų34.11%0.0117%0.171CC..Hα-helixtrans-101.6-41.6175.661.5167.7000111.8F200 F228 L230 I234 S238 Y239 E240 P245 V246 M361F200-I242 HydrophobicContact CD1-CD1 4.21Å; F228-I242 HydrophobicContact CD1-CD1 3.89Å; F228-I242 HydrophobicContact CD2-CD1 4.26Å; F228-I242 HydrophobicContact CE1-CD1 3.61Å; F228-I242 HydrophobicContact CE1-CG2 4.49Å; F228-I242 HydrophobicContact CE2-CB 3.75Å; F228-I242 HydrophobicContact CE2-CD1 4.01Å; F228-I242 HydrophobicContact CE2-CG1 4.42Å; F228-I242 HydrophobicContact CE2-CG2 4.02Å; F228-I242 HydrophobicContact CG-CD1 4.23Å; F228-I242 HydrophobicContact CZ-CB 3.83Å; F228-I242 HydrophobicContact CZ-CD1 3.68Å; F228-I242 HydrophobicContact CZ-CG1 4.36Å; F228-I242 HydrophobicContact CZ-CG2 3.65Å; L230-I242 HydrophobicContact CD1-CD1 4.35Å; L230-I242 HydrophobicContact CD2-CD1 3.84Å; I234-I242 HydrophobicContact CD1-CD1 4.1Å; S238-I242 PolarHBondContact O-N 3Å; Y239-I242 WeakPolarHBondContact O-CG1 3.45Å; Y239-I242 PolarHBondContact O-N 2.87Å; E240-I242 PolarHBondContact O-N 3.16Å; I242-P245 WeakPolarHBondContact O-CD 3.5Å; I242-V246 WeakPolarHBondContact O-CB 3.41Å; I242-V246 WeakPolarHBondContact O-CG2 3.32Å; I242-V246 PolarHBondContact O-N 2.64Å; I242-V246 VanDerWaalsContact O-N 3.1Å; I242-M361 HydrophobicContact CG2-CB 3.9Å; I242-M361 HydrophobicContact CG2-CG 4.26Å; I242-M361 HydrophobicContact CG2-SD 3.94Å
243F98.8Very high98.3Very high2 Ų232.4 Ų32.41%0.00916%0.162CC..Hα-helixtrans-63-54.5-174.6-175.6-92.2000110.8I175 I177 F200 Y239 V246 M247 C286 Y289 M290I175-F243 HydrophobicContact CG2-CE2 3.99Å; I175-F243 HydrophobicContact CG2-CZ 4.23Å; I177-F243 HydrophobicContact CG2-CD2 4.41Å; I177-F243 HydrophobicContact CG2-CE2 3.78Å; F200-F243 AromaticContact CD2-CD2 3.99Å; F200-F243 HydrophobicContact CD2-CD2 3.99Å; F200-F243 HydrophobicContact CD2-CE2 4.2Å; F200-F243 HydrophobicContact CE1-CD2 4.31Å; F200-F243 AromaticContact CE2-CD2 3.56Å; F200-F243 HydrophobicContact CE2-CD2 3.56Å; F200-F243 AromaticContact CE2-CE2 3.76Å; F200-F243 HydrophobicContact CE2-CE2 3.76Å; F200-F243 AromaticContact CZ-CD2 3.74Å; F200-F243 HydrophobicContact CZ-CD2 3.74Å; F200-F243 HydrophobicContact CZ-CE2 4.33Å; F200-F243 HydrophobicContact CZ-CG 4.48Å; Y239-F243 HydrophobicContact CD1-CB 4.09Å; Y239-F243 HydrophobicContact CE1-CB 4.15Å; Y239-F243 AromaticContact CE1-CD2 3.92Å; Y239-F243 HydrophobicContact CE1-CD2 3.92Å; Y239-F243 HydrophobicContact CE1-CG 4.29Å; Y239-F243 VanDerWaalsContact O-CB 3.28Å; Y239-F243 WeakPolarHBondContact O-CB 3.49Å; Y239-F243 PolarHBondContact O-N 3.31Å; F243-V246 PolarHBondContact O-N 2.95Å; F243-M247 HydrophobicContact CD1-CG 4.05Å; F243-M247 HydrophobicContact CD2-CG 4.1Å; F243-M247 HydrophobicContact CE1-CB 4.47Å; F243-M247 HydrophobicContact CE1-CG 3.8Å; F243-M247 HydrophobicContact CE2-CG 3.84Å; F243-M247 HydrophobicContact CE2-SD 4.48Å; F243-M247 HydrophobicContact CG-CG 4.2Å; F243-M247 HydrophobicContact CZ-CG 3.68Å; F243-M247 VanDerWaalsContact O-CB 3.31Å; F243-M247 WeakPolarHBondContact O-CB 3.41Å; F243-M247 VanDerWaalsContact O-CG 3.29Å; F243-M247 WeakPolarHBondContact O-CG 3.39Å; F243-M247 PolarHBondContact O-N 3.42Å; F243-C286 HydrophobicContact CD1-CB 4.26Å; F243-C286 HydrophobicContact CE1-CB 3.74Å; F243-C286 HydrophobicContact CE2-CB 4.06Å; F243-C286 HydrophobicContact CZ-CB 3.63Å; F243-Y289 HydrophobicContact CD1-CD1 4.18Å; F243-Y289 AromaticContact CE1-CD1 3.94Å; F243-Y289 HydrophobicContact CE1-CD1 3.94Å; F243-M290 HydrophobicContact CE1-CG 4.2Å; F243-M290 HydrophobicContact CE1-SD 4.44Å; F243-M290 HydrophobicContact CZ-CG 4.01Å; F243-M290 HydrophobicContact CZ-SD 4.42Å
244K98.6Very high98.3Very high63 Ų6332.6 Ų32.627%0.27416%0.163SC..Hα-helixtrans-59.2-50.1-177-71.2-174.5171.1172.90112.5E240 A248 Y289E240-K244 HydrophobicContact CG-CD 3.92Å; E240-K244 HydrophobicContact CG-CG 4.28Å; E240-K244 PolarHBondContact O-N 2.92Å; E240-K244 VanDerWaalsContact OE1-CE 3.29Å; E240-K244 WeakPolarHBondContact OE1-CE 3.44Å; E240-K244 IonicContact OE1-NZ 2.66Å; E240-K244 PolarHBondContact OE1-NZ 3.25Å; K244-A248 VanDerWaalsContact O-CB 3.24Å; K244-A248 WeakPolarHBondContact O-CB 3.32Å; K244-A248 PolarHBondContact O-N 2.94Å; K244-Y289 HydrophobicContact CB-CD1 4.49Å; K244-Y289 HydrophobicContact CB-CE1 4.17Å; K244-Y289 HydrophobicContact CB-CE2 4.23Å; K244-Y289 HydrophobicContact CD-CD2 3.92Å; K244-Y289 HydrophobicContact CD-CE2 4.14Å; K244-Y289 HydrophobicContact CD-CG 4.37Å; K244-Y289 HydrophobicContact CG-CD1 4Å; K244-Y289 HydrophobicContact CG-CD2 3.77Å; K244-Y289 HydrophobicContact CG-CE1 4.15Å; K244-Y289 HydrophobicContact CG-CE2 3.94Å; K244-Y289 HydrophobicContact CG-CG 3.8Å; K244-Y289 PolarHBondContact O-OH 2.9Å
245P98.5Very high98.2Very high46 Ų4636.7 Ų36.730%0.29918%0.182SC..Hα-helixtrans-65.3-39.5179.4-25.837.9000114.3K241 I242 K249 K365 F369K241-P245 WeakPolarHBondContact O-CD 3.48Å; K241-P245 VanDerWaalsContact O-CG 3.29Å; K241-P245 WeakPolarHBondContact O-CG 3.48Å; I242-P245 WeakPolarHBondContact O-CD 3.5Å; P245-K249 PolarHBondContact O-N 3.18Å; P245-K249 VanDerWaalsContact O-N 3.15Å; P245-K365 HydrophobicContact CB-CD 4.33Å; P245-F369 HydrophobicContact CB-CZ 3.99Å; P245-F369 WeakPolarHBondContact O-CZ 3.36Å
246V98.7Very high98.2Very high0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-65.1-50.1177.7171.70000109.9F200 F228 I242 F243 A248 K249 V250 K365 F369F200-V246 HydrophobicContact CE1-CB 4.4Å; F200-V246 HydrophobicContact CE1-CG1 4.39Å; F200-V246 HydrophobicContact CZ-CB 4.16Å; F200-V246 HydrophobicContact CZ-CG1 3.94Å; F228-V246 HydrophobicContact CD2-CG2 4.16Å; F228-V246 HydrophobicContact CE2-CG2 4.17Å; I242-V246 WeakPolarHBondContact O-CB 3.41Å; I242-V246 WeakPolarHBondContact O-CG2 3.32Å; I242-V246 PolarHBondContact O-N 2.64Å; I242-V246 VanDerWaalsContact O-N 3.1Å; F243-V246 PolarHBondContact O-N 2.95Å; V246-A248 VanDerWaalsContact C-N 3.35Å; V246-A248 PolarHBondContact O-N 2.95Å; V246-K249 PolarHBondContact O-N 3.28Å; V246-K249 VanDerWaalsContact O-N 3.09Å; V246-V250 HydrophobicContact CG1-CG2 4.38Å; V246-V250 WeakPolarHBondContact O-CG2 3.42Å; V246-V250 PolarHBondContact O-N 3.16Å; V246-K365 HydrophobicContact CG2-CG 4.22Å; V246-F369 HydrophobicContact CG2-CE1 4.07Å
247M98.8Very high98.1Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-65.9-35.9-179.7-65.9-44.3-53.200112.6L173 I175 V198 F200 F243 K249 V250 M251 Y289 M290L173-M247 HydrophobicContact CD2-CE 3.83Å; I175-M247 HydrophobicContact CD1-CE 3.39Å; I175-M247 HydrophobicContact CD1-SD 4.49Å; I175-M247 HydrophobicContact CG1-CE 3.65Å; I175-M247 HydrophobicContact CG2-CE 4.48Å; I175-M247 HydrophobicContact CG2-SD 4.35Å; V198-M247 HydrophobicContact CB-SD 4.35Å; V198-M247 HydrophobicContact CG1-SD 3.82Å; F200-M247 HydrophobicContact CE2-CG 4.49Å; F200-M247 HydrophobicContact CE2-SD 3.95Å; F200-M247 HydrophobicContact CZ-CG 4.39Å; F200-M247 HydrophobicContact CZ-SD 4.11Å; F243-M247 HydrophobicContact CD1-CG 4.05Å; F243-M247 HydrophobicContact CD2-CG 4.1Å; F243-M247 HydrophobicContact CE1-CB 4.47Å; F243-M247 HydrophobicContact CE1-CG 3.8Å; F243-M247 HydrophobicContact CE2-CG 3.84Å; F243-M247 HydrophobicContact CE2-SD 4.48Å; F243-M247 HydrophobicContact CG-CG 4.2Å; F243-M247 HydrophobicContact CZ-CG 3.68Å; F243-M247 VanDerWaalsContact O-CB 3.31Å; F243-M247 WeakPolarHBondContact O-CB 3.41Å; F243-M247 VanDerWaalsContact O-CG 3.29Å; F243-M247 WeakPolarHBondContact O-CG 3.39Å; F243-M247 PolarHBondContact O-N 3.42Å; M247-K249 VanDerWaalsContact C-N 3.29Å; M247-K249 PolarHBondContact O-N 3.11Å; M247-V250 HydrophobicContact CE-CB 4.17Å; M247-V250 HydrophobicContact CE-CG1 4Å; M247-V250 PolarHBondContact O-N 3.5Å; M247-M251 WeakPolarHBondContact O-CB 3.39Å; M247-M251 VanDerWaalsContact O-CG 3.24Å; M247-M251 WeakPolarHBondContact O-CG 3.36Å; M247-M251 PolarHBondContact O-N 3.46Å; M247-Y289 HydrophobicContact CB-CD1 4.24Å; M247-Y289 HydrophobicContact CB-CE1 3.83Å; M247-M290 HydrophobicContact CB-SD 4.01Å; M247-M290 HydrophobicContact CE-CE 4.32Å; M247-M290 HydrophobicContact CE-SD 3.95Å; M247-M290 HydrophobicContact CG-SD 4.15Å
248A98.5Very high98.2Very high37 Ų3730.3 Ų30.331%0.30616%0.155SC..Hα-helixtrans-56.2-45.9170.800000111.6K244 V246 M251 E252 Y289K244-A248 VanDerWaalsContact O-CB 3.24Å; K244-A248 WeakPolarHBondContact O-CB 3.32Å; K244-A248 PolarHBondContact O-N 2.94Å; V246-A248 VanDerWaalsContact C-N 3.35Å; V246-A248 PolarHBondContact O-N 2.95Å; A248-M251 PolarHBondContact O-N 2.83Å; A248-E252 WeakPolarHBondContact O-CB 3.28Å; A248-E252 PolarHBondContact O-N 3.13Å; A248-Y289 WeakPolarHBondContact CB-OH 3.17Å
249K98.1Very high98.2Very high32 Ų3230 Ų3014%0.13915%0.153CC..Hα-helixtrans-70.9-37.8-179-168.752.2170.2168.20111.9P245 V246 M247 E252 M253 F369 L372P245-K249 PolarHBondContact O-N 3.18Å; P245-K249 VanDerWaalsContact O-N 3.15Å; V246-K249 PolarHBondContact O-N 3.28Å; V246-K249 VanDerWaalsContact O-N 3.09Å; M247-K249 VanDerWaalsContact C-N 3.29Å; M247-K249 PolarHBondContact O-N 3.11Å; K249-E252 WeakPolarHBondContact CD-OE2 3.16Å; K249-E252 IonicContact NZ-OE1 3.91Å; K249-E252 PolarHBondContact NZ-OE1 3.42Å; K249-E252 IonicContact NZ-OE2 2.71Å; K249-E252 PolarHBondContact NZ-OE2 2.84Å; K249-E252 PolarHBondContact O-N 2.64Å; K249-M253 HydrophobicContact CD-CG 3.88Å; K249-M253 HydrophobicContact CD-SD 4.39Å; K249-M253 HydrophobicContact CG-CG 4.26Å; K249-M253 PolarHBondContact NZ-SD 2.86Å; K249-M253 WeakPolarHBondContact O-CB 3.23Å; K249-M253 VanDerWaalsContact O-CG 3.25Å; K249-M253 WeakPolarHBondContact O-CG 3.47Å; K249-M253 PolarHBondContact O-N 2.91Å; K249-F369 HydrophobicContact CB-CE1 4.22Å; K249-F369 HydrophobicContact CB-CZ 4.28Å; K249-L372 HydrophobicContact CB-CD1 4Å; K249-L372 HydrophobicContact CG-CB 4.14Å; K249-L372 HydrophobicContact CG-CD1 3.8Å
250V98.5Very high98.2Very high0 Ų029.9 Ų29.90%015%0.152CC..Hα-helixtrans-58.5-51.3172165.50000110.3L173 M196 V198 V246 M247 E252 M253 Y254 L372L173-V250 HydrophobicContact CD1-CG1 3.65Å; L173-V250 HydrophobicContact CD2-CG1 3.83Å; L173-V250 HydrophobicContact CG-CG1 4.42Å; M196-V250 HydrophobicContact SD-CB 4.46Å; M196-V250 HydrophobicContact SD-CG1 3.65Å; M196-V250 HydrophobicContact SD-CG2 4.25Å; V198-V250 HydrophobicContact CG2-CG1 4.22Å; V198-V250 HydrophobicContact CG2-CG2 4.09Å; V246-V250 HydrophobicContact CG1-CG2 4.38Å; V246-V250 WeakPolarHBondContact O-CG2 3.42Å; V246-V250 PolarHBondContact O-N 3.16Å; M247-V250 HydrophobicContact CE-CB 4.17Å; M247-V250 HydrophobicContact CE-CG1 4Å; M247-V250 PolarHBondContact O-N 3.5Å; V250-E252 VanDerWaalsContact C-N 3.31Å; V250-E252 PolarHBondContact O-N 3.04Å; V250-M253 PolarHBondContact O-N 3.37Å; V250-Y254 WeakPolarHBondContact O-CA 3.29Å; V250-Y254 WeakPolarHBondContact O-CB 3.43Å; V250-Y254 PolarHBondContact O-N 3.14Å; V250-L372 HydrophobicContact CG2-CD1 3.93Å; V250-L372 HydrophobicContact CG2-CD2 4Å
251M98.1Very high98.2Very high21 Ų2127.3 Ų27.310%0.10314%0.141CC..Hα-helixtrans-61.2-39.4179.5-67.8-63.1-73.400112.2L173 M247 A248 Q255 P256 M290 F293 L295L173-M251 HydrophobicContact CD2-SD 3.65Å; M247-M251 WeakPolarHBondContact O-CB 3.39Å; M247-M251 VanDerWaalsContact O-CG 3.24Å; M247-M251 WeakPolarHBondContact O-CG 3.36Å; M247-M251 PolarHBondContact O-N 3.46Å; A248-M251 PolarHBondContact O-N 2.83Å; M251-Q255 WeakPolarHBondContact O-CA 3.35Å; M251-Q255 PolarHBondContact O-N 2.79Å; M251-Q255 VanDerWaalsContact O-N 3.15Å; M251-P256 HydrophobicContact CE-CG 4.01Å; M251-P256 HydrophobicContact SD-CG 3.52Å; M251-P256 VanDerWaalsContact SD-CG 3.52Å; M251-M290 HydrophobicContact CG-CE 4.36Å; M251-M290 HydrophobicContact SD-CE 3.95Å; M251-F293 HydrophobicContact CB-CD1 4.14Å; M251-F293 HydrophobicContact CB-CE1 3.75Å; M251-F293 HydrophobicContact CB-CZ 4.15Å; M251-F293 HydrophobicContact CE-CB 3.5Å; M251-F293 VanDerWaalsContact CE-CB 3.5Å; M251-F293 HydrophobicContact CE-CD1 3.63Å; M251-F293 HydrophobicContact CE-CD2 4.19Å; M251-F293 HydrophobicContact CE-CE1 4.37Å; M251-F293 HydrophobicContact CE-CG 3.51Å; M251-F293 HydrophobicContact CG-CD1 3.95Å; M251-F293 HydrophobicContact CG-CD2 4.25Å; M251-F293 HydrophobicContact CG-CE1 3.73Å; M251-F293 HydrophobicContact CG-CE2 4.04Å; M251-F293 HydrophobicContact CG-CG 4.2Å; M251-F293 HydrophobicContact CG-CZ 3.77Å; M251-L295 HydrophobicContact CE-CD1 3.49Å; M251-L295 VanDerWaalsContact CE-CD1 3.49Å; M251-L295 HydrophobicContact CE-CG 4.35Å
252E96.5Very high98.3Very high109 Ų10922 Ų2251%0.50912%0.117SC..Hα-helixtrans-62.6-47.6176.1-174-162151.700112.6A248 K249 V250 Q255A248-E252 WeakPolarHBondContact O-CB 3.28Å; A248-E252 PolarHBondContact O-N 3.13Å; K249-E252 WeakPolarHBondContact CD-OE2 3.16Å; K249-E252 IonicContact NZ-OE1 3.91Å; K249-E252 PolarHBondContact NZ-OE1 3.42Å; K249-E252 IonicContact NZ-OE2 2.71Å; K249-E252 PolarHBondContact NZ-OE2 2.84Å; K249-E252 PolarHBondContact O-N 2.64Å; V250-E252 VanDerWaalsContact C-N 3.31Å; V250-E252 PolarHBondContact O-N 3.04Å; E252-Q255 WeakPolarHBondContact O-CG 3.45Å; E252-Q255 PolarHBondContact O-NE2 3.02Å
253M96.4Very high98.3Very high7 Ų721.9 Ų21.93%0.03412%0.117CC..Hα-helixtrans-85.5-43.6-171.9-62.2-54.3-59.400112.5K249 V250 L372 L375K249-M253 HydrophobicContact CD-CG 3.88Å; K249-M253 HydrophobicContact CD-SD 4.39Å; K249-M253 HydrophobicContact CG-CG 4.26Å; K249-M253 PolarHBondContact NZ-SD 2.86Å; K249-M253 WeakPolarHBondContact O-CB 3.23Å; K249-M253 VanDerWaalsContact O-CG 3.25Å; K249-M253 WeakPolarHBondContact O-CG 3.47Å; K249-M253 PolarHBondContact O-N 2.91Å; V250-M253 PolarHBondContact O-N 3.37Å; M253-L372 WeakPolarHBondContact CE-O 3.38Å; M253-L372 HydrophobicContact CG-CB 4.4Å; M253-L375 HydrophobicContact CB-CB 4.4Å; M253-L375 HydrophobicContact CB-CD2 4.4Å; M253-L375 HydrophobicContact CE-CB 4.3Å
254Y97.6Very high98.3Very high4 Ų421.8 Ų21.82%0.01612%0.117CC..Hα-helixtrans-86.8-29.6-174.1-175.1-120000112.7R171 V172 L173 R194 V195 M196 Y224 V250 P256 L375R171-Y254 HydrophobicContact CB-CE1 4.05Å; R171-Y254 HydrophobicContact CB-CE2 4.24Å; R171-Y254 WeakPolarHBondContact CD-O 3.37Å; R171-Y254 HydrophobicContact CG-CE2 4.02Å; R171-Y254 PolarHBondContact NE-O 2.58Å; V172-Y254 VanDerWaalsContact O-CE1 3.31Å; V172-Y254 WeakPolarHBondContact O-CE1 3.49Å; V172-Y254 PolarHBondContact O-OH 3.22Å; L173-Y254 HydrophobicContact CB-CD1 4.22Å; L173-Y254 HydrophobicContact CB-CE1 4.07Å; L173-Y254 HydrophobicContact CD1-CD1 4.39Å; R194-Y254 PolarHBondContact O-OH 2.89Å; V195-Y254 VanDerWaalsContact C-OH 3.31Å; V195-Y254 WeakPolarHBondContact CA-OH 3.46Å; V195-Y254 PolarHBondContact N-OH 3.1Å; M196-Y254 HydrophobicContact CB-CD1 3.69Å; M196-Y254 HydrophobicContact CB-CD2 3.94Å; M196-Y254 HydrophobicContact CB-CE1 3.48Å; M196-Y254 VanDerWaalsContact CB-CE1 3.48Å; M196-Y254 HydrophobicContact CB-CE2 3.76Å; M196-Y254 HydrophobicContact CB-CG 3.92Å; M196-Y254 HydrophobicContact CE-CD2 3.73Å; M196-Y254 HydrophobicContact CE-CG 3.82Å; M196-Y254 HydrophobicContact CG-CD1 4.48Å; M196-Y254 HydrophobicContact CG-CG 4.49Å; M196-Y254 PolarHBondContact N-OH 3.3Å; M196-Y254 VanDerWaalsContact N-OH 3.1Å; M196-Y254 HydrophobicContact SD-CD1 4.12Å; M196-Y254 HydrophobicContact SD-CD2 4.25Å; M196-Y254 HydrophobicContact SD-CG 3.79Å; Y224-Y254 AromaticContact CD1-CD2 3.82Å; Y224-Y254 HydrophobicContact CD1-CD2 3.82Å; Y224-Y254 AromaticContact CD1-CE2 3.55Å; Y224-Y254 HydrophobicContact CD1-CE2 3.55Å; Y224-Y254 AromaticContact CE1-CD2 3.68Å; Y224-Y254 HydrophobicContact CE1-CD2 3.68Å; Y224-Y254 AromaticContact CE1-CE2 3.58Å; Y224-Y254 HydrophobicContact CE1-CE2 3.58Å; V250-Y254 WeakPolarHBondContact O-CA 3.29Å; V250-Y254 WeakPolarHBondContact O-CB 3.43Å; V250-Y254 PolarHBondContact O-N 3.14Å; Y254-P256 HydrophobicContact CD1-CB 3.91Å; Y254-P256 HydrophobicContact CD1-CG 4.21Å; Y254-P256 HydrophobicContact CE1-CB 3.93Å; Y254-L375 HydrophobicContact CD2-CD2 4.17Å
255Q97.3Very high98.3Very high86 Ų8618.9 Ų18.940%0.40210%0.104SC..  trans47.459.6177.6-58.6172.523.400112.7R171 M251 E252R171-Q255 VanDerWaalsContact CZ-O 3.28Å; R171-Q255 PolarHBondContact NE-O 3.29Å; R171-Q255 PolarHBondContact NH2-O 3.34Å; M251-Q255 WeakPolarHBondContact O-CA 3.35Å; M251-Q255 PolarHBondContact O-N 2.79Å; M251-Q255 VanDerWaalsContact O-N 3.15Å; E252-Q255 WeakPolarHBondContact O-CG 3.45Å; E252-Q255 PolarHBondContact O-NE2 3.02Å
256P98Very high98.3Very high9 Ų916.7 Ų16.76%0.0589%0.09CC..  trans-65.9159.6179.230.5-35.7000111.7L173 M251 Y254 L295L173-P256 HydrophobicContact CB-CB 3.56Å; L173-P256 HydrophobicContact CB-CG 3.71Å; L173-P256 HydrophobicContact CD2-CG 3.9Å; L173-P256 HydrophobicContact CG-CG 4.46Å; M251-P256 HydrophobicContact CE-CG 4.01Å; M251-P256 HydrophobicContact SD-CG 3.52Å; M251-P256 VanDerWaalsContact SD-CG 3.52Å; Y254-P256 HydrophobicContact CD1-CB 3.91Å; Y254-P256 HydrophobicContact CD1-CG 4.21Å; Y254-P256 HydrophobicContact CE1-CB 3.93Å; P256-L295 HydrophobicContact CB-CD1 4.42Å; P256-L295 HydrophobicContact CG-CD1 3.87Å; P256-L295 VanDerWaalsContact O-CD1 3.25Å; P256-L295 WeakPolarHBondContact O-CD1 3.36Å
257S98.3Very high98.3Very high40 Ų4016.7 Ų16.728%0.289%0.09SC..SBendtrans-109.2-8.3173.353.70000113.8H169 R171 P296H169-S257 WeakPolarHBondContact CB-OG 3.34Å; H169-S257 PolarHBondContact CE1-O 2.75Å; H169-S257 PolarHBondContact ND1-O 2.64Å; H169-S257 PolarHBondContact ND1-OG 2.72Å; R171-S257 PolarHBondContact O-N 2.83Å; R171-S257 PolarHBondContact O-OG 2.85Å; S257-P296 WeakPolarHBondContact O-CD 3.4Å
258A98.8Very high98.3Very high1 Ų116.8 Ų16.81%0.0089%0.09CC..EExtended strand (participates in β ladder)trans-150.4151.9171.300000109.4L165 H169 L173 P296L165-A258 HydrophobicContact CD1-CB 4.45Å; L165-A258 HydrophobicContact CD2-CB 4.38Å; H169-A258 HydrophobicContact CB-CB 4.25Å; L173-A258 PolarHBondContact N-O 2.93Å; A258-P296 HydrophobicContact CB-CB 4.35Å
259V98.9Very high98.3Very high3 Ų315.4 Ų15.42%0.0188%0.078CC..EExtended strand (participates in β ladder)trans-124.9135.6-179.2-178.70000109.8L173 I175 M290 L295 P296 L297 L298L173-V259 HydrophobicContact CB-CG2 4.42Å; L173-V259 HydrophobicContact CD2-CG2 4.43Å; L173-V259 CarbonylContact O-C 3.49Å; L173-V259 WeakPolarHBondContact O-CA 3.45Å; I175-V259 HydrophobicContact CD1-CG1 3.73Å; I175-V259 HydrophobicContact CG1-CG1 4.37Å; V259-M290 HydrophobicContact CG1-CE 4.33Å; V259-M290 HydrophobicContact CG2-CE 4.38Å; V259-L295 HydrophobicContact CG2-CB 4.24Å; V259-L295 HydrophobicContact CG2-CD1 3.94Å; V259-P296 PolarHBondContact N-O 3Å; V259-L297 HydrophobicContact CB-CD1 3.83Å; V259-L297 HydrophobicContact CG1-CD1 3.67Å; V259-L297 WeakPolarHBondContact O-CA 3.19Å; V259-L298 PolarHBondContact O-N 3.18Å
260V98.9Very high98.3Very high0 Ų016.4 Ų16.40%010%0.098CC..EExtended strand (participates in β ladder)trans-113.3120.4165.4-177.50000107.3I158 I162 L165 V172 L173 Y174 I175 L298 L300I158-V260 HydrophobicContact CG2-CG1 3.98Å; I162-V260 HydrophobicContact CG1-CB 4.45Å; I162-V260 HydrophobicContact CG1-CG2 3.84Å; L165-V260 HydrophobicContact CD1-CG2 3.5Å; L165-V260 VanDerWaalsContact CD1-CG2 3.5Å; V172-V260 HydrophobicContact CG1-CG2 4.16Å; L173-V260 PolarHBondContact O-N 2.89Å; Y174-V260 CarbonylContact C-O 3.56Å; Y174-V260 WeakPolarHBondContact CA-O 3.48Å; Y174-V260 HydrophobicContact CD2-CB 4.12Å; Y174-V260 HydrophobicContact CD2-CG1 4.03Å; Y174-V260 HydrophobicContact CE2-CG1 4.37Å; I175-V260 PolarHBondContact N-O 3.41Å; V260-L298 CarbonylContact C-O 3.6Å; V260-L298 WeakPolarHBondContact CA-O 3.31Å; V260-L298 HydrophobicContact CG1-CB 4.42Å; V260-L298 HydrophobicContact CG1-CD2 4.15Å; V260-L298 HydrophobicContact CG1-CG 4.43Å; V260-L298 HydrophobicContact CG2-CB 4.19Å; V260-L298 HydrophobicContact CG2-CD2 4.22Å; V260-L300 HydrophobicContact CG1-CD1 3.83Å; V260-L300 HydrophobicContact CG1-CG 4.38Å
261L98.9Very high98.3Very high0 Ų017.2 Ų17.20%010%0.102CC..EExtended strand (participates in β ladder)trans-114.3110.4179.2178.563.3000108.8I175 V287 L297 L298 M299 L300I175-L261 HydrophobicContact CB-CD1 3.69Å; I175-L261 HydrophobicContact CG2-CD1 3.66Å; I175-L261 WeakPolarHBondContact O-CA 3.42Å; L261-V287 HydrophobicContact CD2-CB 4.33Å; L261-V287 HydrophobicContact CD2-CG2 3.83Å; L261-L297 HydrophobicContact CB-CD1 3.95Å; L261-L298 PolarHBondContact N-O 2.86Å; L261-M299 WeakPolarHBondContact O-CA 3.45Å; L261-L300 PolarHBondContact O-N 3.07Å
262Q98.9Very high98.3Very high0 Ų023.4 Ų23.40%012%0.124CC..EExtended strand (participates in β ladder)trans-81.7122.8170-168.9-82.111.400107.5G140 I158 Y174 I175 D176 I177 D178 G301G140-Q262 PolarHBondContact O-NE2 3.32Å; I158-Q262 HydrophobicContact CD1-CB 4.46Å; I158-Q262 HydrophobicContact CD1-CG 4.01Å; Y174-Q262 HydrophobicContact CE2-CB 3.9Å; Y174-Q262 WeakPolarHBondContact OH-CB 3.31Å; I175-Q262 PolarHBondContact O-N 3.06Å; D176-Q262 PolarHBondContact OD1-OE1 3.29Å; I177-Q262 WeakPolarHBondContact CG1-O 3.44Å; I177-Q262 PolarHBondContact N-O 3.15Å; D178-Q262 PolarHBondContact OD2-NE2 3.1Å; Q262-G301 WeakPolarHBondContact CG-O 3.42Å
263C98.9Very high98.4Very high0 Ų021.7 Ų21.70%012%0.118CC..  trans-108.355.5-176-60.40000111.3W137 A265 L300 G301 W314 E317W137-C263 HydrophobicContact CH2-CB 4.48Å; W137-C263 HydrophobicContact CZ3-CB 3.91Å; C263-A265 PolarHBondContact O-N 3.21Å; C263-L300 VanDerWaalsContact CB-O 3.32Å; C263-L300 WeakPolarHBondContact CB-O 3.07Å; C263-L300 PolarHBondContact N-O 2.86Å; C263-G301 CarbonylContact C-O 3.58Å; C263-G301 PolarHBondContact N-O 2.9Å; C263-G301 VanDerWaalsContact N-O 3.11Å; C263-W314 PolarHBondContact O-NE1 3.11Å; C263-E317 WeakPolarHBondContact CB-OE2 3.46Å
264G98.8Very high98.4Very high0 Ų022 Ų220%012%0.123CC..  trans-56.9115.1177.700000112.3D178 D266 S267 H283D178-G264 WeakPolarHBondContact OD2-CA 3.4Å; G264-D266 VanDerWaalsContact C-N 3.32Å; G264-D266 PolarHBondContact O-N 3.2Å; G264-S267 PolarHBondContact O-OG 3.45Å; G264-S267 VanDerWaalsContact O-OG 3.06Å; G264-H283 PolarHBondContact O-NE2 3.07Å; G264-H283 VanDerWaalsContact O-NE2 3.15Å
265A98.8Very high98.4Very high1 Ų122.9 Ų22.91%0.00813%0.129CC..G310 helixtrans-88.56.8-170.400000113.8C263 S267 L268 G303 V310 C313C263-A265 PolarHBondContact O-N 3.21Å; A265-S267 VanDerWaalsContact C-N 3.3Å; A265-L268 HydrophobicContact CB-CD1 4.04Å; A265-L268 WeakPolarHBondContact O-CB 3.33Å; A265-L268 WeakPolarHBondContact O-CD1 3.5Å; A265-L268 VanDerWaalsContact O-CG 3.3Å; A265-L268 WeakPolarHBondContact O-CG 3.47Å; A265-L268 PolarHBondContact O-N 2.99Å; A265-G303 PolarHBondContact N-O 2.88Å; A265-V310 HydrophobicContact CB-CB 4.39Å; A265-V310 HydrophobicContact CB-CG1 4.24Å; A265-V310 HydrophobicContact CB-CG2 4.04Å; A265-C313 HydrophobicContact CB-CB 4.49Å
266D98.8Very high98.5Very high0 Ų018.9 Ų18.90%011%0.111CC..G310 helixtrans-81.7-7.4172.152.210.8000113.5D178 I179 H180 G264 L268 G274 G303 Y305D178-D266 VanDerWaalsContact CG-OD1 3.24Å; D178-D266 VanDerWaalsContact OD1-OD1 3.08Å; I179-D266 HydrophobicContact CG2-CB 3.97Å; I179-D266 VanDerWaalsContact CG2-CG 3.43Å; I179-D266 WeakPolarHBondContact CG2-OD1 3.17Å; I179-D266 PolarHBondContact N-OD1 2.93Å; H180-D266 IonicContact CE1-OD2 3.39Å; H180-D266 PolarHBondContact CE1-OD2 3.17Å; H180-D266 IonicContact ND1-OD2 2.8Å; H180-D266 PolarHBondContact ND1-OD2 2.96Å; G264-D266 VanDerWaalsContact C-N 3.32Å; G264-D266 PolarHBondContact O-N 3.2Å; D266-L268 PolarHBondContact O-N 3.48Å; D266-G274 WeakPolarHBondContact O-CA 3.38Å; D266-G303 WeakPolarHBondContact OD2-CA 3.38Å; D266-Y305 HydrophobicContact CB-CD2 3.82Å; D266-Y305 HydrophobicContact CB-CE2 3.68Å; D266-Y305 VanDerWaalsContact OD2-CE2 3.26Å; D266-Y305 WeakPolarHBondContact OD2-CE2 3.31Å
267S98.8Very high98.5Very high0 Ų018.9 Ų18.90%011%0.11CC..G310 helixtrans-73.7-5166.163.20000113.2I177 G264 A265 F276 L278 H283I177-S267 WeakPolarHBondContact O-CB 3.45Å; I177-S267 PolarHBondContact O-OG 3.29Å; I177-S267 VanDerWaalsContact O-OG 3.1Å; G264-S267 PolarHBondContact O-OG 3.45Å; G264-S267 VanDerWaalsContact O-OG 3.06Å; A265-S267 VanDerWaalsContact C-N 3.3Å; S267-F276 WeakPolarHBondContact O-CB 3.43Å; S267-L278 WeakPolarHBondContact O-CB 3.26Å; S267-L278 WeakPolarHBondContact O-CG 3.37Å; S267-H283 PolarHBondContact OG-CD2 2.96Å; S267-H283 PolarHBondContact OG-NE2 3.27Å
268L98.9Very high98.6Very high2 Ų217 Ų171%0.0110%0.097CC..BIsolated β-bridgetrans-76.3151.7177.7-64.6174.4000113.4A265 D266 G270 D271 I280 H283 N309 C313 I347A265-L268 HydrophobicContact CB-CD1 4.04Å; A265-L268 WeakPolarHBondContact O-CB 3.33Å; A265-L268 WeakPolarHBondContact O-CD1 3.5Å; A265-L268 VanDerWaalsContact O-CG 3.3Å; A265-L268 WeakPolarHBondContact O-CG 3.47Å; A265-L268 PolarHBondContact O-N 2.99Å; D266-L268 PolarHBondContact O-N 3.48Å; L268-G270 PolarHBondContact O-N 3.47Å; L268-D271 WeakPolarHBondContact O-CB 3.4Å; L268-D271 PolarHBondContact O-N 3.17Å; L268-I280 HydrophobicContact CD2-CG1 4.46Å; L268-H283 HydrophobicContact CD2-CB 3.83Å; L268-N309 HydrophobicContact CD1-CB 4.32Å; L268-C313 HydrophobicContact CD1-CB 3.66Å; L268-I347 HydrophobicContact CB-CD1 4.45Å
269S98.7Very high98.6Very high8 Ų817.4 Ų17.46%0.05610%0.1CC..THydrogen-bonded Turntrans-55.8132.7169.3175.60000111.7D271 N277 L278 N309 S350S269-D271 VanDerWaalsContact C-N 3.28Å; S269-D271 PolarHBondContact O-N 2.79Å; S269-N277 PolarHBondContact OG-OD1 3.49Å; S269-N277 VanDerWaalsContact OG-OD1 3.1Å; S269-L278 WeakPolarHBondContact CB-O 3.44Å; S269-L278 PolarHBondContact N-O 3.05Å; S269-N309 PolarHBondContact O-ND2 3.04Å; S269-S350 PolarHBondContact OG-N 3.38Å
270G97.3Very high98.6Very high53 Ų5317.3 Ų17.355%0.54610%0.099SC..THydrogen-bonded Turntrans71.421.2176.800000114L268 T306L268-G270 PolarHBondContact O-N 3.47Å; G270-T306 PolarHBondContact O-OG1 2.85Å
271D98.6Very high98.6Very high17 Ų1723 Ų239%0.09112%0.121CC..  trans-61.8155.3165.5-170.9-95.3000111.6L268 S269 L273 G274 Y305 T306L268-D271 WeakPolarHBondContact O-CB 3.4Å; L268-D271 PolarHBondContact O-N 3.17Å; S269-D271 VanDerWaalsContact C-N 3.28Å; S269-D271 PolarHBondContact O-N 2.79Å; D271-L273 PolarHBondContact OD1-N 3.46Å; D271-G274 PolarHBondContact OD1-N 3.37Å; D271-Y305 WeakPolarHBondContact OD1-CD2 3.38Å; D271-Y305 WeakPolarHBondContact OD2-CA 3.35Å; D271-Y305 PolarHBondContact OD2-N 3.48Å; D271-T306 WeakPolarHBondContact CA-OG1 3.48Å; D271-T306 PolarHBondContact OD2-N 3.11Å
272R98.1Very high98.5Very high152 Ų15223.3 Ų23.357%0.57412%0.123SC*.SBendtrans-78-27.9-178.4-65.6-177.966.6-155-3.4113.6Y305 T306R272-Y305 WeakPolarHBondContact CD-O 3.32Å; R272-T306 PolarHBondContact N-OG1 3.49Å
273L97.8Very high98.5Very high72 Ų7223.3 Ų23.338%0.37712%0.123SC..SBendtrans-114.2-33.4-179.5-55.6-171.2000111.6P31 F152 Y206 D271 Y305P31-L273 HydrophobicContact CB-CD1 4.08Å; P31-L273 HydrophobicContact CB-CG 4.47Å; P31-L273 HydrophobicContact CG-CD1 4.02Å; F152-L273 HydrophobicContact CE2-CD1 4.07Å; F152-L273 HydrophobicContact CZ-CD1 4.35Å; Y206-L273 PolarHBondContact OH-O 3.37Å; D271-L273 PolarHBondContact OD1-N 3.46Å; L273-Y305 HydrophobicContact CB-CD2 3.67Å; L273-Y305 HydrophobicContact CB-CE2 4Å; L273-Y305 HydrophobicContact CB-CG 4.39Å; L273-Y305 HydrophobicContact CD1-CD1 4.01Å; L273-Y305 HydrophobicContact CD1-CD2 3.59Å; L273-Y305 HydrophobicContact CD1-CE1 3.98Å; L273-Y305 HydrophobicContact CD1-CE2 3.58Å; L273-Y305 HydrophobicContact CD1-CG 3.8Å; L273-Y305 HydrophobicContact CG-CD1 4.47Å; L273-Y305 HydrophobicContact CG-CD2 3.57Å; L273-Y305 HydrophobicContact CG-CE2 4.03Å; L273-Y305 HydrophobicContact CG-CG 3.82Å
274G97.8Very high98.5Very high13 Ų1323.5 Ų23.513%0.13412%0.124CC..  trans-73153.3177.700000113.6D266 D271D266-G274 WeakPolarHBondContact O-CA 3.38Å; D271-G274 PolarHBondContact OD1-N 3.37Å
275C98.1Very high98.5Very high23 Ų2326.8 Ų26.816%0.15514%0.139CC..  trans-131.330.8177.859.10000112.9K202 D232 G233K202-C275 WeakPolarHBondContact CD-SG 3.38Å; D232-C275 PolarHBondContact OD1-SG 2.6Å; D232-C275 VanDerWaalsContact OD1-SG 3.41Å; G233-C275 PolarHBondContact N-O 2.98Å
276F98.7Very high98.5Very high2 Ų226.9 Ų26.91%0.00914%0.139CC..  trans-89173.4165-79.86000111I179 K202 L230 I234 Y239 S267 L278I179-F276 HydrophobicContact CD1-CB 4.06Å; I179-F276 HydrophobicContact CD1-CD1 3.67Å; I179-F276 HydrophobicContact CD1-CD2 4.22Å; I179-F276 HydrophobicContact CD1-CE1 4.14Å; I179-F276 HydrophobicContact CD1-CG 3.7Å; I179-F276 HydrophobicContact CG1-CD1 3.93Å; I179-F276 HydrophobicContact CG1-CD2 3.92Å; I179-F276 HydrophobicContact CG1-CE1 3.96Å; I179-F276 HydrophobicContact CG1-CE2 3.93Å; I179-F276 HydrophobicContact CG1-CG 3.9Å; I179-F276 HydrophobicContact CG1-CZ 3.94Å; K202-F276 HydrophobicContact CB-CE1 4.01Å; K202-F276 HydrophobicContact CB-CZ 4.36Å; L230-F276 HydrophobicContact CB-CE1 4.04Å; L230-F276 HydrophobicContact CB-CZ 3.69Å; L230-F276 HydrophobicContact CD1-CE2 3.9Å; L230-F276 HydrophobicContact CD1-CZ 3.59Å; L230-F276 HydrophobicContact CG-CZ 4.28Å; I234-F276 HydrophobicContact CG2-CB 4.04Å; I234-F276 HydrophobicContact CG2-CD1 3.69Å; I234-F276 HydrophobicContact CG2-CD2 3.48Å; I234-F276 VanDerWaalsContact CG2-CD2 3.48Å; I234-F276 HydrophobicContact CG2-CE1 3.94Å; I234-F276 HydrophobicContact CG2-CE2 3.78Å; I234-F276 HydrophobicContact CG2-CG 3.45Å; I234-F276 VanDerWaalsContact CG2-CG 3.45Å; I234-F276 HydrophobicContact CG2-CZ 4.01Å; Y239-F276 HydrophobicContact CE2-CE2 4.22Å; S267-F276 WeakPolarHBondContact O-CB 3.43Å; F276-L278 HydrophobicContact CD2-CD1 4.45Å
277N98.7Very high98.5Very high9 Ų926.9 Ų26.95%0.04814%0.139CC..  trans-128.529.7-176.5-156.530000112.4I234 S269 S350I234-N277 CarbonylContact O-C 3.52Å; I234-N277 WeakPolarHBondContact O-CA 3.32Å; I234-N277 WeakPolarHBondContact O-CB 3.43Å; I234-N277 PolarHBondContact O-N 3.15Å; S269-N277 PolarHBondContact OG-OD1 3.49Å; S269-N277 VanDerWaalsContact OG-OD1 3.1Å; N277-S350 PolarHBondContact ND2-O 3.29Å; N277-S350 WeakPolarHBondContact OD1-CB 3.47Å; N277-S350 PolarHBondContact OD1-N 3.35Å; N277-S350 PolarHBondContact OD1-OG 2.98Å
278L98.9Very high98.5Very high0 Ų032.2 Ų32.20%016%0.164CC..BIsolated β-bridgetrans-73.9141.4-179.3-57.4-178.3000111.9I234 D236 Y239 S267 S269 F276I234-L278 HydrophobicContact CG2-CD2 4.29Å; D236-L278 WeakPolarHBondContact OD1-CA 3.42Å; Y239-L278 HydrophobicContact CD2-CD1 3.87Å; Y239-L278 HydrophobicContact CD2-CD2 4.01Å; Y239-L278 HydrophobicContact CD2-CG 4.48Å; Y239-L278 HydrophobicContact CE2-CD1 4.01Å; Y239-L278 HydrophobicContact CG-CD1 4.18Å; Y239-L278 HydrophobicContact CG-CD2 3.98Å; S267-L278 WeakPolarHBondContact O-CB 3.26Å; S267-L278 WeakPolarHBondContact O-CG 3.37Å; S269-L278 WeakPolarHBondContact CB-O 3.44Å; S269-L278 PolarHBondContact N-O 3.05Å; F276-L278 HydrophobicContact CD2-CD1 4.45Å
279T98.8Very high98.5Very high11 Ų1134.3 Ų34.37%0.06717%0.173CC..  trans-86.8166.6166.479.60000110.5D236 R281 G282 H283 P349D236-T279 PolarHBondContact OD1-N 3.13Å; D236-T279 WeakPolarHBondContact OD2-CB 3.4Å; D236-T279 VanDerWaalsContact OD2-CG2 3.32Å; D236-T279 WeakPolarHBondContact OD2-CG2 3.45Å; D236-T279 PolarHBondContact OD2-OG1 3.35Å; T279-R281 PolarHBondContact O-N 2.74Å; T279-R281 PolarHBondContact OG1-N 2.85Å; T279-G282 PolarHBondContact O-N 3.01Å; T279-G282 PolarHBondContact OG1-N 3.31Å; T279-H283 WeakPolarHBondContact O-CB 3.5Å; T279-H283 PolarHBondContact O-N 2.84Å; T279-P349 HydrophobicContact CG2-CB 4.23Å; T279-P349 HydrophobicContact CG2-CG 4.26Å
280I98.8Very high98.5Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-57.6-34172.3-68.6158.7000111.4L268 A284 R312 C313 Y316 L345 I347L268-I280 HydrophobicContact CD2-CG1 4.46Å; I280-A284 WeakPolarHBondContact O-CB 3.21Å; I280-A284 PolarHBondContact O-N 3.27Å; I280-R312 HydrophobicContact CD1-CB 3.42Å; I280-R312 VanDerWaalsContact CD1-CB 3.42Å; I280-R312 HydrophobicContact CD1-CG 4.38Å; I280-C313 HydrophobicContact CG1-CB 4.18Å; I280-Y316 HydrophobicContact CG2-CD1 3.52Å; I280-Y316 HydrophobicContact CG2-CE1 4.46Å; I280-Y316 HydrophobicContact CG2-CG 3.85Å; I280-L345 WeakPolarHBondContact CD1-O 3.44Å; I280-I347 HydrophobicContact CD1-CB 4.48Å; I280-I347 HydrophobicContact CD1-CD1 4.45Å; I280-I347 HydrophobicContact CD1-CG1 4.06Å; I280-I347 HydrophobicContact CD1-CG2 3.98Å; I280-I347 HydrophobicContact CG1-CD1 4.22Å; I280-I347 HydrophobicContact CG1-CG1 4.06Å
281R98.6Very high98.5Very high121 Ų12132.3 Ų32.346%0.45715%0.148SC..Hα-helixtrans-70.7-44177.5-65-172.5-176.4-78.74.7111.2T279 A284 K285 Y316 H346T279-R281 PolarHBondContact O-N 2.74Å; T279-R281 PolarHBondContact OG1-N 2.85Å; R281-A284 PolarHBondContact O-N 3.42Å; R281-K285 WeakPolarHBondContact O-CG 3.41Å; R281-K285 PolarHBondContact O-N 3.18Å; R281-Y316 HydrophobicContact CG-CE1 4.43Å; R281-Y316 PolarHBondContact NH1-OH 2.56Å; R281-H346 VanDerWaalsContact CZ-CD2 3.48Å; R281-H346 PolarHBondContact NH1-NE2 3.31Å; R281-H346 PolarHBondContact NH2-CD2 3.03Å; R281-H346 PolarHBondContact NH2-NE2 3.23Å
282G98.5Very high98.4Very high5 Ų534.8 Ų34.85%0.05217%0.167CC..Hα-helixtrans-59.9-45.4175.800000112.4D236 T279 K285D236-G282 VanDerWaalsContact CG-CA 3.47Å; D236-G282 WeakPolarHBondContact OD1-CA 3.28Å; D236-G282 PolarHBondContact OD2-N 2.93Å; T279-G282 PolarHBondContact O-N 3.01Å; T279-G282 PolarHBondContact OG1-N 3.31Å; G282-K285 WeakPolarHBondContact O-CB 3.24Å; G282-K285 PolarHBondContact O-N 2.71Å
283H98.9Very high98.4Very high1 Ų129.7 Ų29.71%0.00515%0.149CC..Hα-helixtrans-61.7-51.5176.7-164.1-89.1000111.7I177 G264 S267 L268 T279 K285 C286 C313 E317I177-H283 WeakPolarHBondContact CD1-CE1 3.17Å; I177-H283 WeakPolarHBondContact CD1-NE2 3.23Å; G264-H283 PolarHBondContact O-NE2 3.07Å; G264-H283 VanDerWaalsContact O-NE2 3.15Å; S267-H283 PolarHBondContact OG-CD2 2.96Å; S267-H283 PolarHBondContact OG-NE2 3.27Å; L268-H283 HydrophobicContact CD2-CB 3.83Å; T279-H283 WeakPolarHBondContact O-CB 3.5Å; T279-H283 PolarHBondContact O-N 2.84Å; H283-K285 VanDerWaalsContact C-N 3.26Å; H283-K285 PolarHBondContact O-N 2.78Å; H283-C286 VanDerWaalsContact O-CB 3.23Å; H283-C286 WeakPolarHBondContact O-CB 3.15Å; H283-C286 PolarHBondContact O-N 3.18Å; H283-C286 PolarHBondContact O-SG 3.12Å; H283-C286 VanDerWaalsContact O-SG 3.42Å; H283-C313 PolarHBondContact ND1-SG 3.24Å; H283-E317 IonicContact CE1-OE1 3.02Å; H283-E317 PolarHBondContact CE1-OE1 3.01Å; H283-E317 VanDerWaalsContact CE1-OE1 3.28Å; H283-E317 IonicContact CG-OE1 3.56Å; H283-E317 IonicContact ND1-OE1 3.46Å; H283-E317 PolarHBondContact ND1-OE1 2.84Å
284A98.8Very high98.4Very high3 Ų331.9 Ų31.93%0.02516%0.161CC..Hα-helixtrans-67-20.5-178.100000114.4I280 R281 C286 V287 E288 Y316 E317 V320I280-A284 WeakPolarHBondContact O-CB 3.21Å; I280-A284 PolarHBondContact O-N 3.27Å; R281-A284 PolarHBondContact O-N 3.42Å; A284-C286 PolarHBondContact O-N 3.06Å; A284-V287 WeakPolarHBondContact O-CB 3.46Å; A284-V287 PolarHBondContact O-N 3.44Å; A284-V287 VanDerWaalsContact O-N 3.14Å; A284-E288 PolarHBondContact O-N 3.1Å; A284-Y316 HydrophobicContact CB-CD1 3.57Å; A284-Y316 HydrophobicContact CB-CE1 3.72Å; A284-E317 HydrophobicContact CB-CG 3.86Å; A284-V320 HydrophobicContact CB-CG2 4.22Å
285K98.7Very high98.4Very high69 Ų6933.3 Ų33.330%0.317%0.165SC..Hα-helixtrans-59.6-26.7169.7-81174.4175.7-178.40112.4E240 R281 G282 H283 Y289E240-K285 WeakPolarHBondContact OE2-CD 3.13Å; E240-K285 IonicContact OE2-NZ 3.27Å; E240-K285 PolarHBondContact OE2-NZ 3.37Å; R281-K285 WeakPolarHBondContact O-CG 3.41Å; R281-K285 PolarHBondContact O-N 3.18Å; G282-K285 WeakPolarHBondContact O-CB 3.24Å; G282-K285 PolarHBondContact O-N 2.71Å; H283-K285 VanDerWaalsContact C-N 3.26Å; H283-K285 PolarHBondContact O-N 2.78Å; K285-Y289 VanDerWaalsContact O-CB 3.24Å; K285-Y289 WeakPolarHBondContact O-CB 3.31Å; K285-Y289 PolarHBondContact O-N 3.47Å
286C98.8Very high98.4Very high3 Ų333.8 Ų33.82%0.0217%0.168CC..Hα-helixtrans-67-46.9174.6-570000110.5I177 F243 H283 A284 Y289 M290I177-C286 HydrophobicContact CD1-CB 4Å; I177-C286 HydrophobicContact CG2-CB 4.4Å; F243-C286 HydrophobicContact CD1-CB 4.26Å; F243-C286 HydrophobicContact CE1-CB 3.74Å; F243-C286 HydrophobicContact CE2-CB 4.06Å; F243-C286 HydrophobicContact CZ-CB 3.63Å; H283-C286 VanDerWaalsContact O-CB 3.23Å; H283-C286 WeakPolarHBondContact O-CB 3.15Å; H283-C286 PolarHBondContact O-N 3.18Å; H283-C286 PolarHBondContact O-SG 3.12Å; H283-C286 VanDerWaalsContact O-SG 3.42Å; A284-C286 PolarHBondContact O-N 3.06Å; C286-Y289 PolarHBondContact O-N 2.95Å; C286-M290 WeakPolarHBondContact O-CG 3.26Å; C286-M290 PolarHBondContact O-N 3.21Å
287V98.7Very high98.4Very high0 Ų033.9 Ų33.90%017%0.169CC..Hα-helixtrans-60.2-50.1174.7179.70000110.7L261 A284 Y289 M290 K291 M299 E317 V320L261-V287 HydrophobicContact CD2-CB 4.33Å; L261-V287 HydrophobicContact CD2-CG2 3.83Å; A284-V287 WeakPolarHBondContact O-CB 3.46Å; A284-V287 PolarHBondContact O-N 3.44Å; A284-V287 VanDerWaalsContact O-N 3.14Å; V287-Y289 VanDerWaalsContact C-N 3.31Å; V287-Y289 PolarHBondContact O-N 2.98Å; V287-M290 PolarHBondContact O-N 3.43Å; V287-K291 WeakPolarHBondContact O-CB 3.42Å; V287-K291 PolarHBondContact O-N 3.44Å; V287-M299 HydrophobicContact CB-CE 4.43Å; V287-M299 HydrophobicContact CG1-CE 3.46Å; V287-M299 VanDerWaalsContact CG1-CE 3.46Å; V287-M299 HydrophobicContact CG1-SD 3.86Å; V287-M299 HydrophobicContact CG2-CE 4.05Å; V287-E317 HydrophobicContact CG2-CB 4.32Å; V287-E317 HydrophobicContact CG2-CG 4.01Å; V287-E317 WeakPolarHBondContact CG2-OE1 3.5Å; V287-V320 HydrophobicContact CB-CG1 4.36Å; V287-V320 HydrophobicContact CG1-CG1 4.01Å
288E98.4Very high98.5Very high113 Ų11333.5 Ų33.553%0.52817%0.166SC..Hα-helixtrans-56.5-46.1178.4-174.8-175-156.800111.4A284 K291 S292 V320A284-E288 PolarHBondContact O-N 3.1Å; E288-K291 PolarHBondContact O-N 2.96Å; E288-S292 PolarHBondContact O-N 3.05Å; E288-S292 VanDerWaalsContact O-N 3.15Å; E288-V320 HydrophobicContact CB-CG1 3.9Å
289Y98.7Very high98.5Very high46 Ų4633.5 Ų33.518%0.1817%0.166CC..Hα-helixtrans-63.8-47.1179.7-172.7-113.5000112F243 K244 M247 A248 K285 C286 V287 K291 S292 F293F243-Y289 HydrophobicContact CD1-CD1 4.18Å; F243-Y289 AromaticContact CE1-CD1 3.94Å; F243-Y289 HydrophobicContact CE1-CD1 3.94Å; K244-Y289 HydrophobicContact CB-CD1 4.49Å; K244-Y289 HydrophobicContact CB-CE1 4.17Å; K244-Y289 HydrophobicContact CB-CE2 4.23Å; K244-Y289 HydrophobicContact CD-CD2 3.92Å; K244-Y289 HydrophobicContact CD-CE2 4.14Å; K244-Y289 HydrophobicContact CD-CG 4.37Å; K244-Y289 HydrophobicContact CG-CD1 4Å; K244-Y289 HydrophobicContact CG-CD2 3.77Å; K244-Y289 HydrophobicContact CG-CE1 4.15Å; K244-Y289 HydrophobicContact CG-CE2 3.94Å; K244-Y289 HydrophobicContact CG-CG 3.8Å; K244-Y289 PolarHBondContact O-OH 2.9Å; M247-Y289 HydrophobicContact CB-CD1 4.24Å; M247-Y289 HydrophobicContact CB-CE1 3.83Å; A248-Y289 WeakPolarHBondContact CB-OH 3.17Å; K285-Y289 VanDerWaalsContact O-CB 3.24Å; K285-Y289 WeakPolarHBondContact O-CB 3.31Å; K285-Y289 PolarHBondContact O-N 3.47Å; C286-Y289 PolarHBondContact O-N 2.95Å; V287-Y289 VanDerWaalsContact C-N 3.31Å; V287-Y289 PolarHBondContact O-N 2.98Å; Y289-K291 VanDerWaalsContact C-N 3.35Å; Y289-K291 PolarHBondContact O-N 3.42Å; Y289-S292 WeakPolarHBondContact O-CB 3.4Å; Y289-S292 PolarHBondContact O-N 3.08Å; Y289-S292 PolarHBondContact O-OG 2.93Å; Y289-F293 AromaticContact CD1-CE2 3.92Å; Y289-F293 HydrophobicContact CD1-CE2 3.92Å; Y289-F293 AromaticContact CE1-CE2 3.55Å; Y289-F293 HydrophobicContact CE1-CE2 3.55Å; Y289-F293 AromaticContact CE1-CZ 3.81Å; Y289-F293 HydrophobicContact CE1-CZ 3.81Å; Y289-F293 HydrophobicContact CE2-CE2 4.36Å; Y289-F293 HydrophobicContact CE2-CZ 4.45Å; Y289-F293 HydrophobicContact CG-CE2 4.47Å; Y289-F293 AromaticContact CZ-CE2 3.79Å; Y289-F293 AromaticContact CZ-CZ 3.71Å; Y289-F293 WeakPolarHBondContact O-CD2 3.45Å
290M98.5Very high98.5Very high6 Ų633 Ų333%0.0316%0.163CC..Hα-helixtrans-68.6-35.3-179.9-69.6-49.5-48.400112.6L173 I175 F243 M247 M251 V259 C286 V287 S292 F293L173-M290 HydrophobicContact CD2-CE 4.31Å; I175-M290 HydrophobicContact CD1-CE 3.4Å; I175-M290 HydrophobicContact CD1-CG 3.64Å; I175-M290 HydrophobicContact CD1-SD 3.54Å; I175-M290 VanDerWaalsContact CD1-SD 3.54Å; F243-M290 HydrophobicContact CE1-CG 4.2Å; F243-M290 HydrophobicContact CE1-SD 4.44Å; F243-M290 HydrophobicContact CZ-CG 4.01Å; F243-M290 HydrophobicContact CZ-SD 4.42Å; M247-M290 HydrophobicContact CB-SD 4.01Å; M247-M290 HydrophobicContact CE-CE 4.32Å; M247-M290 HydrophobicContact CE-SD 3.95Å; M247-M290 HydrophobicContact CG-SD 4.15Å; M251-M290 HydrophobicContact CG-CE 4.36Å; M251-M290 HydrophobicContact SD-CE 3.95Å; V259-M290 HydrophobicContact CG1-CE 4.33Å; V259-M290 HydrophobicContact CG2-CE 4.38Å; C286-M290 WeakPolarHBondContact O-CG 3.26Å; C286-M290 PolarHBondContact O-N 3.21Å; V287-M290 PolarHBondContact O-N 3.43Å; M290-S292 PolarHBondContact O-N 2.85Å; M290-F293 HydrophobicContact CE-CD2 3.98Å; M290-F293 HydrophobicContact CE-CE2 4.31Å; M290-F293 PolarHBondContact O-N 3.18Å; M290-F293 HydrophobicContact SD-CD2 4.29Å; M290-F293 HydrophobicContact SD-CE2 4.15Å
291K97.5Very high98.5Very high12 Ų1233 Ų335%0.05216%0.163CC..Hα-helixtrans-59-35.6172.5-176.1-175.3177.1-171.80112K11 I133 V287 E288 Y289 F293 N294 V320 A321 D323K11-K291 HydrophobicContact CD-CG 4.26Å; K11-K291 PolarHBondContact NZ-O 3.38Å; I133-K291 HydrophobicContact CD1-CD 4.31Å; I133-K291 HydrophobicContact CD1-CG 4.28Å; V287-K291 WeakPolarHBondContact O-CB 3.42Å; V287-K291 PolarHBondContact O-N 3.44Å; E288-K291 PolarHBondContact O-N 2.96Å; Y289-K291 VanDerWaalsContact C-N 3.35Å; Y289-K291 PolarHBondContact O-N 3.42Å; K291-F293 PolarHBondContact O-N 3.18Å; K291-F293 VanDerWaalsContact O-N 3.13Å; K291-N294 PolarHBondContact O-N 2.68Å; K291-N294 VanDerWaalsContact O-N 3.15Å; K291-V320 PolarHBondContact NZ-O 2.9Å; K291-A321 WeakPolarHBondContact CE-O 3.37Å; K291-A321 PolarHBondContact NZ-O 3.25Å; K291-D323 WeakPolarHBondContact CE-OD2 3.25Å; K291-D323 IonicContact NZ-OD1 3.93Å; K291-D323 PolarHBondContact NZ-OD1 3.23Å; K291-D323 IonicContact NZ-OD2 2.74Å; K291-D323 PolarHBondContact NZ-OD2 2.92Å
292S97.7Very high98.5Very high70 Ų7027.4 Ų27.449%0.4914%0.144SC..THydrogen-bonded Turntrans-62.2-19.1-177.979.90000114.7E288 Y289 M290 N294E288-S292 PolarHBondContact O-N 3.05Å; E288-S292 VanDerWaalsContact O-N 3.15Å; Y289-S292 WeakPolarHBondContact O-CB 3.4Å; Y289-S292 PolarHBondContact O-N 3.08Å; Y289-S292 PolarHBondContact O-OG 2.93Å; M290-S292 PolarHBondContact O-N 2.85Å; S292-N294 VanDerWaalsContact C-N 3.29Å; S292-N294 PolarHBondContact O-N 3.06Å; S292-N294 PolarHBondContact O-ND2 3.15Å
293F97.8Very high98.5Very high44 Ų4427.4 Ų27.419%0.19314%0.144CC..THydrogen-bonded Turntrans-79.4-5.3177.7-68.1-83000114.6M251 Y289 M290 K291 L295M251-F293 HydrophobicContact CB-CD1 4.14Å; M251-F293 HydrophobicContact CB-CE1 3.75Å; M251-F293 HydrophobicContact CB-CZ 4.15Å; M251-F293 HydrophobicContact CE-CB 3.5Å; M251-F293 VanDerWaalsContact CE-CB 3.5Å; M251-F293 HydrophobicContact CE-CD1 3.63Å; M251-F293 HydrophobicContact CE-CD2 4.19Å; M251-F293 HydrophobicContact CE-CE1 4.37Å; M251-F293 HydrophobicContact CE-CG 3.51Å; M251-F293 HydrophobicContact CG-CD1 3.95Å; M251-F293 HydrophobicContact CG-CD2 4.25Å; M251-F293 HydrophobicContact CG-CE1 3.73Å; M251-F293 HydrophobicContact CG-CE2 4.04Å; M251-F293 HydrophobicContact CG-CG 4.2Å; M251-F293 HydrophobicContact CG-CZ 3.77Å; Y289-F293 AromaticContact CD1-CE2 3.92Å; Y289-F293 HydrophobicContact CD1-CE2 3.92Å; Y289-F293 AromaticContact CE1-CE2 3.55Å; Y289-F293 HydrophobicContact CE1-CE2 3.55Å; Y289-F293 AromaticContact CE1-CZ 3.81Å; Y289-F293 HydrophobicContact CE1-CZ 3.81Å; Y289-F293 HydrophobicContact CE2-CE2 4.36Å; Y289-F293 HydrophobicContact CE2-CZ 4.45Å; Y289-F293 HydrophobicContact CG-CE2 4.47Å; Y289-F293 AromaticContact CZ-CE2 3.79Å; Y289-F293 AromaticContact CZ-CZ 3.71Å; Y289-F293 WeakPolarHBondContact O-CD2 3.45Å; M290-F293 HydrophobicContact CE-CD2 3.98Å; M290-F293 HydrophobicContact CE-CE2 4.31Å; M290-F293 PolarHBondContact O-N 3.18Å; M290-F293 HydrophobicContact SD-CD2 4.29Å; M290-F293 HydrophobicContact SD-CE2 4.15Å; K291-F293 PolarHBondContact O-N 3.18Å; K291-F293 VanDerWaalsContact O-N 3.13Å; F293-L295 VanDerWaalsContact C-N 3.34Å; F293-L295 PolarHBondContact O-N 2.85Å
294N97.1Very high98.4Very high118 Ų11827.4 Ų27.463%0.63114%0.144SC*.  trans5641.2173.2-58.7-44.7000115.2K11 K291 S292K11-N294 WeakPolarHBondContact CE-OD1 3.31Å; K11-N294 PolarHBondContact NZ-OD1 3.27Å; K291-N294 PolarHBondContact O-N 2.68Å; K291-N294 VanDerWaalsContact O-N 3.15Å; S292-N294 VanDerWaalsContact C-N 3.29Å; S292-N294 PolarHBondContact O-N 3.06Å; S292-N294 PolarHBondContact O-ND2 3.15Å
295L98.1Very high98.4Very high43 Ų4327.8 Ų27.823%0.22515%0.145CC..  trans-102.9157.3169.3-64.6-179000111.1M251 P256 V259 F293 L297M251-L295 HydrophobicContact CE-CD1 3.49Å; M251-L295 VanDerWaalsContact CE-CD1 3.49Å; M251-L295 HydrophobicContact CE-CG 4.35Å; P256-L295 HydrophobicContact CB-CD1 4.42Å; P256-L295 HydrophobicContact CG-CD1 3.87Å; P256-L295 VanDerWaalsContact O-CD1 3.25Å; P256-L295 WeakPolarHBondContact O-CD1 3.36Å; V259-L295 HydrophobicContact CG2-CB 4.24Å; V259-L295 HydrophobicContact CG2-CD1 3.94Å; F293-L295 VanDerWaalsContact C-N 3.34Å; F293-L295 PolarHBondContact O-N 2.85Å; L295-L297 PolarHBondContact O-N 3.03Å
296P98.8Very high98.4Very high34 Ų3425.3 Ų25.322%0.22114%0.135CC..  trans-49.8123.8164.4-25.634.4000110.2L126 D132 S257 A258 V259L126-P296 HydrophobicContact CB-CB 4.44Å; L126-P296 HydrophobicContact CD2-CB 3.94Å; D132-P296 WeakPolarHBondContact O-CA 3.4Å; S257-P296 WeakPolarHBondContact O-CD 3.4Å; A258-P296 HydrophobicContact CB-CB 4.35Å; V259-P296 PolarHBondContact N-O 3Å
297L98.9Very high98.4Very high4 Ų426.4 Ų26.42%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-126.7118.3-171.7176.664000110.8D132 I133 A134 V259 L261 L295 M299D132-L297 PolarHBondContact O-N 3.04Å; I133-L297 CarbonylContact C-O 3.54Å; I133-L297 VanDerWaalsContact CA-O 3.25Å; I133-L297 WeakPolarHBondContact CA-O 3.3Å; I133-L297 HydrophobicContact CG1-CB 4.32Å; A134-L297 PolarHBondContact N-O 3.05Å; V259-L297 HydrophobicContact CB-CD1 3.83Å; V259-L297 HydrophobicContact CG1-CD1 3.67Å; V259-L297 WeakPolarHBondContact O-CA 3.19Å; L261-L297 HydrophobicContact CB-CD1 3.95Å; L295-L297 PolarHBondContact O-N 3.03Å; L297-M299 HydrophobicContact CD1-CG 4.49Å; L297-M299 HydrophobicContact CD2-CG 3.97Å; L297-M299 HydrophobicContact CD2-SD 4.13Å; L297-M299 HydrophobicContact CG-CG 3.93Å
298L98.9Very high98.4Very high0 Ų031.3 Ų31.30%016%0.159CC..EExtended strand (participates in β ladder)trans-95.4118.3166.5-178.763.4000108.8L126 A134 A161 V259 V260 L261 L300L126-L298 HydrophobicContact CD1-CB 3.78Å; A134-L298 HydrophobicContact CB-CD1 3.8Å; A134-L298 CarbonylContact O-C 3.55Å; A134-L298 WeakPolarHBondContact O-CA 3.3Å; A161-L298 HydrophobicContact CB-CD2 3.69Å; V259-L298 PolarHBondContact O-N 3.18Å; V260-L298 CarbonylContact C-O 3.6Å; V260-L298 WeakPolarHBondContact CA-O 3.31Å; V260-L298 HydrophobicContact CG1-CB 4.42Å; V260-L298 HydrophobicContact CG1-CD2 4.15Å; V260-L298 HydrophobicContact CG1-CG 4.43Å; V260-L298 HydrophobicContact CG2-CB 4.19Å; V260-L298 HydrophobicContact CG2-CD2 4.22Å; L261-L298 PolarHBondContact N-O 2.86Å; L298-L300 HydrophobicContact CD1-CD2 4Å; L298-L300 HydrophobicContact CD2-CD1 4.26Å; L298-L300 HydrophobicContact CD2-CD2 4.07Å; L298-L300 HydrophobicContact CD2-CG 4.28Å; L298-L300 HydrophobicContact CG-CD2 3.83Å; L298-L300 HydrophobicContact CG-CG 4.04Å
299M98.9Very high98.4Very high0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-101.1125.8173.6-64173.356.300109.4I133 A134 V135 N136 W137 L261 V287 L297 E317 A321I133-M299 HydrophobicContact CG2-CG 4.28Å; I133-M299 HydrophobicContact CG2-SD 3.87Å; A134-M299 PolarHBondContact O-N 2.85Å; V135-M299 WeakPolarHBondContact CA-O 3.23Å; V135-M299 HydrophobicContact CG1-CB 4.49Å; V135-M299 HydrophobicContact CG2-CB 4.25Å; V135-M299 HydrophobicContact CG2-SD 4.34Å; N136-M299 PolarHBondContact N-O 3.1Å; W137-M299 HydrophobicContact CH2-CB 4.42Å; W137-M299 HydrophobicContact CH2-CE 3.63Å; W137-M299 HydrophobicContact CZ2-CE 4.17Å; L261-M299 WeakPolarHBondContact O-CA 3.45Å; V287-M299 HydrophobicContact CB-CE 4.43Å; V287-M299 HydrophobicContact CG1-CE 3.46Å; V287-M299 VanDerWaalsContact CG1-CE 3.46Å; V287-M299 HydrophobicContact CG1-SD 3.86Å; V287-M299 HydrophobicContact CG2-CE 4.05Å; L297-M299 HydrophobicContact CD1-CG 4.49Å; L297-M299 HydrophobicContact CD2-CG 3.97Å; L297-M299 HydrophobicContact CD2-SD 4.13Å; L297-M299 HydrophobicContact CG-CG 3.93Å; M299-E317 HydrophobicContact CE-CB 4.19Å; M299-A321 HydrophobicContact CE-CB 4.43Å; M299-A321 HydrophobicContact SD-CB 3.9Å
300L99Very high98.4Very high0 Ų024.5 Ų24.50%013%0.13CC..EExtended strand (participates in β ladder)trans-118.6161.7-179.1-59.9-179.6000110.7S119 N136 W137 I158 V260 L261 C263 L298S119-L300 WeakPolarHBondContact OG-CD2 3.43Å; N136-L300 HydrophobicContact CB-CD2 3.92Å; N136-L300 WeakPolarHBondContact O-CA 3.49Å; W137-L300 WeakPolarHBondContact CZ3-O 3.39Å; I158-L300 HydrophobicContact CB-CD1 4.27Å; I158-L300 HydrophobicContact CD1-CD1 4.48Å; I158-L300 HydrophobicContact CG1-CD1 3.79Å; I158-L300 HydrophobicContact CG2-CD1 4.18Å; V260-L300 HydrophobicContact CG1-CD1 3.83Å; V260-L300 HydrophobicContact CG1-CG 4.38Å; L261-L300 PolarHBondContact O-N 3.07Å; C263-L300 VanDerWaalsContact CB-O 3.32Å; C263-L300 WeakPolarHBondContact CB-O 3.07Å; C263-L300 PolarHBondContact N-O 2.86Å; L298-L300 HydrophobicContact CD1-CD2 4Å; L298-L300 HydrophobicContact CD2-CD1 4.26Å; L298-L300 HydrophobicContact CD2-CD2 4.07Å; L298-L300 HydrophobicContact CD2-CG 4.28Å; L298-L300 HydrophobicContact CG-CD2 3.83Å; L298-L300 HydrophobicContact CG-CG 4.04Å
301G98.9Very high98.4Very high0 Ų024.2 Ų24.20%013%0.128CC..  trans-71.7-132.9170.800000112.2N136 G139 Q262 C263 W314N136-G301 PolarHBondContact O-N 3.19Å; G139-G301 CarbonylContact O-C 3.57Å; G139-G301 WeakPolarHBondContact O-CA 3.43Å; G139-G301 PolarHBondContact O-N 3.49Å; Q262-G301 WeakPolarHBondContact CG-O 3.42Å; C263-G301 CarbonylContact C-O 3.58Å; C263-G301 PolarHBondContact N-O 2.9Å; C263-G301 VanDerWaalsContact N-O 3.11Å; G301-W314 VanDerWaalsContact CA-CZ2 3.49Å
302G98.6Very high98.5Very high5 Ų523.9 Ų23.95%0.05213%0.127CC..  trans144.7-154.3-173.400000112.6R36 G139R36-G302 VanDerWaalsContact CZ-O 3.24Å; R36-G302 PolarHBondContact NH1-O 2.92Å; R36-G302 PolarHBondContact NH2-O 2.71Å; G139-G302 PolarHBondContact O-N 2.84Å
303G97.9Very high98.5Very high5 Ų520.6 Ų20.65%0.05210%0.103CC..  trans-60.5178.3171.900000114.1R36 D178 A265 D266R36-G303 PolarHBondContact NH1-O 2.99Å; R36-G303 VanDerWaalsContact NH1-O 3.11Å; D178-G303 WeakPolarHBondContact OD2-CA 3.38Å; D178-G303 PolarHBondContact OD2-N 3.37Å; A265-G303 PolarHBondContact N-O 2.88Å; D266-G303 WeakPolarHBondContact OD2-CA 3.38Å
304G98.4Very high98.6Very high0 Ų018.5 Ų18.50%09%0.094CC..  trans132.9112.318000000112.3V310G304-V310 VanDerWaalsContact C-CG2 3.49Å; G304-V310 WeakPolarHBondContact O-CG2 3.49Å
305Y98.6Very high98.7Very high11 Ų1112.9 Ų12.94%0.0436%0.064CC..SBendtrans-123.4-14.4-163.9-50.7-73.4000112.9P31 M32 F152 D266 D271 R272 L273 I307P31-Y305 HydrophobicContact CB-CD1 3.88Å; P31-Y305 HydrophobicContact CB-CG 4.41Å; M32-Y305 HydrophobicContact CE-CE1 4.17Å; F152-Y305 AromaticContact CD2-CE1 3.9Å; F152-Y305 HydrophobicContact CD2-CE1 3.9Å; F152-Y305 WeakPolarHBondContact CD2-OH 3.14Å; F152-Y305 AromaticContact CE2-CE1 3.72Å; F152-Y305 HydrophobicContact CE2-CE1 3.72Å; F152-Y305 AromaticContact CE2-CZ 3.84Å; D266-Y305 HydrophobicContact CB-CD2 3.82Å; D266-Y305 HydrophobicContact CB-CE2 3.68Å; D266-Y305 VanDerWaalsContact OD2-CE2 3.26Å; D266-Y305 WeakPolarHBondContact OD2-CE2 3.31Å; D271-Y305 WeakPolarHBondContact OD1-CD2 3.38Å; D271-Y305 WeakPolarHBondContact OD2-CA 3.35Å; D271-Y305 PolarHBondContact OD2-N 3.48Å; R272-Y305 WeakPolarHBondContact CD-O 3.32Å; L273-Y305 HydrophobicContact CB-CD2 3.67Å; L273-Y305 HydrophobicContact CB-CE2 4Å; L273-Y305 HydrophobicContact CB-CG 4.39Å; L273-Y305 HydrophobicContact CD1-CD1 4.01Å; L273-Y305 HydrophobicContact CD1-CD2 3.59Å; L273-Y305 HydrophobicContact CD1-CE1 3.98Å; L273-Y305 HydrophobicContact CD1-CE2 3.58Å; L273-Y305 HydrophobicContact CD1-CG 3.8Å; L273-Y305 HydrophobicContact CG-CD1 4.47Å; L273-Y305 HydrophobicContact CG-CD2 3.57Å; L273-Y305 HydrophobicContact CG-CE2 4.03Å; L273-Y305 HydrophobicContact CG-CG 3.82Å; Y305-I307 PolarHBondContact O-N 3.49Å
306T98.6Very high98.7Very high17 Ų1712.7 Ų12.710%0.1046%0.061CC..SBendtrans-86.281.6158-64.40000109.5G270 D271 R272 R308 N309 V310G270-T306 PolarHBondContact O-OG1 2.85Å; D271-T306 WeakPolarHBondContact CA-OG1 3.48Å; D271-T306 PolarHBondContact OD2-N 3.11Å; R272-T306 PolarHBondContact N-OG1 3.49Å; T306-R308 VanDerWaalsContact C-N 3.26Å; T306-R308 HydrophobicContact CG2-CG 3.9Å; T306-R308 PolarHBondContact O-N 3.4Å; T306-N309 HydrophobicContact CG2-CB 4.15Å; T306-N309 WeakPolarHBondContact O-CA 3.37Å; T306-N309 WeakPolarHBondContact O-CB 3.42Å; T306-N309 PolarHBondContact O-N 3.04Å; T306-V310 PolarHBondContact O-N 2.94Å
307I98.3Very high98.7Very high27 Ų2711.1 Ų11.114%0.1385%0.05CC..Hα-helixtrans-53.2-32.5-167.163.4176.7000115.7K33 R36 M39 Y305 N309 V310 A311 Y338K33-I307 HydrophobicContact CB-CG2 4Å; K33-I307 HydrophobicContact CD-CD1 4.43Å; K33-I307 HydrophobicContact CD-CG2 4.21Å; R36-I307 HydrophobicContact CB-CB 3.91Å; R36-I307 HydrophobicContact CB-CG2 3.88Å; M39-I307 HydrophobicContact SD-CB 4.28Å; M39-I307 HydrophobicContact SD-CD1 3.79Å; M39-I307 HydrophobicContact SD-CG1 4.03Å; Y305-I307 PolarHBondContact O-N 3.49Å; I307-N309 VanDerWaalsContact C-N 3.32Å; I307-N309 PolarHBondContact O-N 3.19Å; I307-V310 PolarHBondContact O-N 2.84Å; I307-A311 PolarHBondContact O-N 2.97Å; I307-Y338 HydrophobicContact CD1-CD1 4.31Å; I307-Y338 HydrophobicContact CD1-CE1 4.12Å
308R98.3Very high98.7Very high103 Ų10310.9 Ų10.939%0.3895%0.049SC..Hα-helixtrans-63.5-37174.661.9-178.6179.2179.6-0.7112.2T306 R312 Y338 F339 G340T306-R308 VanDerWaalsContact C-N 3.26Å; T306-R308 HydrophobicContact CG2-CG 3.9Å; T306-R308 PolarHBondContact O-N 3.4Å; R308-R312 WeakPolarHBondContact O-CD 3.43Å; R308-R312 VanDerWaalsContact O-CG 3.23Å; R308-R312 WeakPolarHBondContact O-CG 3.41Å; R308-R312 PolarHBondContact O-N 2.77Å; R308-R312 VanDerWaalsContact O-N 3.17Å; R308-Y338 WeakPolarHBondContact CD-O 3.36Å; R308-F339 HydrophobicContact CB-CD1 4.1Å; R308-F339 HydrophobicContact CB-CE1 4.16Å; R308-F339 WeakPolarHBondContact O-CE1 3.43Å; R308-G340 PolarHBondContact NH1-O 3.2Å
309N98.7Very high98.7Very high14 Ų1411 Ų118%0.0755%0.05CC..Hα-helixtrans-77.7-32.9178.1-68.1-2.8000111.1L268 S269 T306 I307 R312 C313L268-N309 HydrophobicContact CD1-CB 4.32Å; S269-N309 PolarHBondContact O-ND2 3.04Å; T306-N309 HydrophobicContact CG2-CB 4.15Å; T306-N309 WeakPolarHBondContact O-CA 3.37Å; T306-N309 WeakPolarHBondContact O-CB 3.42Å; T306-N309 PolarHBondContact O-N 3.04Å; I307-N309 VanDerWaalsContact C-N 3.32Å; I307-N309 PolarHBondContact O-N 3.19Å; N309-R312 PolarHBondContact O-N 3.35Å; N309-R312 PolarHBondContact OD1-NH1 3.18Å; N309-R312 VanDerWaalsContact OD1-NH1 3.15Å; N309-C313 VanDerWaalsContact O-CB 3.28Å; N309-C313 WeakPolarHBondContact O-CB 3.31Å; N309-C313 PolarHBondContact O-N 3.05Å
310V98.9Very high98.7Very high1 Ų112 Ų121%0.0066%0.056CC..Hα-helixtrans-59.1-49.7170.7-178.70000110.6R36 A265 G304 T306 I307 R312 C313 W314R36-V310 HydrophobicContact CB-CB 4.41Å; R36-V310 HydrophobicContact CB-CG1 4.24Å; R36-V310 HydrophobicContact CG-CG1 4.07Å; A265-V310 HydrophobicContact CB-CB 4.39Å; A265-V310 HydrophobicContact CB-CG1 4.24Å; A265-V310 HydrophobicContact CB-CG2 4.04Å; G304-V310 VanDerWaalsContact C-CG2 3.49Å; G304-V310 WeakPolarHBondContact O-CG2 3.49Å; T306-V310 PolarHBondContact O-N 2.94Å; I307-V310 PolarHBondContact O-N 2.84Å; V310-R312 VanDerWaalsContact C-N 3.32Å; V310-R312 PolarHBondContact O-N 3.34Å; V310-C313 PolarHBondContact O-N 3.5Å; V310-W314 HydrophobicContact CG1-CD2 3.64Å; V310-W314 HydrophobicContact CG1-CE3 3.48Å; V310-W314 VanDerWaalsContact CG1-CE3 3.48Å; V310-W314 HydrophobicContact CG1-CG 4.49Å; V310-W314 HydrophobicContact CG1-CH2 3.76Å; V310-W314 HydrophobicContact CG1-CZ2 3.83Å; V310-W314 HydrophobicContact CG1-CZ3 3.54Å; V310-W314 PolarHBondContact O-N 3.19Å
311A98.9Very high98.7Very high0 Ų012.1 Ų12.10%06%0.057CC..Hα-helixtrans-58.9-44.3178.700000111.9M39 T40 L43 I307 T315 F339M39-A311 HydrophobicContact CB-CB 3.77Å; T40-A311 WeakPolarHBondContact OG1-CA 3.38Å; L43-A311 HydrophobicContact CD1-CB 3.96Å; I307-A311 PolarHBondContact O-N 2.97Å; A311-T315 WeakPolarHBondContact O-CB 3.36Å; A311-T315 PolarHBondContact O-N 3.16Å; A311-T315 VanDerWaalsContact O-N 3.15Å; A311-T315 PolarHBondContact O-OG1 3.37Å; A311-F339 HydrophobicContact CB-CE1 4.09Å; A311-F339 HydrophobicContact CB-CZ 4.05Å
312R98.9Very high98.6Very high6 Ų612.8 Ų12.82%0.0236%0.06CC..Hα-helixtrans-61.7-46.1174.6-70162.8160.7155.3-6.8112.6I280 R308 N309 V310 Y316 F339 D342 K344 L345I280-R312 HydrophobicContact CD1-CB 3.42Å; I280-R312 VanDerWaalsContact CD1-CB 3.42Å; I280-R312 HydrophobicContact CD1-CG 4.38Å; R308-R312 WeakPolarHBondContact O-CD 3.43Å; R308-R312 VanDerWaalsContact O-CG 3.23Å; R308-R312 WeakPolarHBondContact O-CG 3.41Å; R308-R312 PolarHBondContact O-N 2.77Å; R308-R312 VanDerWaalsContact O-N 3.17Å; N309-R312 PolarHBondContact O-N 3.35Å; N309-R312 PolarHBondContact OD1-NH1 3.18Å; N309-R312 VanDerWaalsContact OD1-NH1 3.15Å; V310-R312 VanDerWaalsContact C-N 3.32Å; V310-R312 PolarHBondContact O-N 3.34Å; R312-Y316 WeakPolarHBondContact O-CB 3.38Å; R312-Y316 PolarHBondContact O-N 2.78Å; R312-F339 HydrophobicContact CG-CD1 4.11Å; R312-F339 HydrophobicContact CG-CE1 4.05Å; R312-F339 PolarHBondContact NH2-O 3.44Å; R312-D342 IonicContact NH2-OD1 3.72Å; R312-D342 PolarHBondContact NH2-OD1 3.11Å; R312-D342 IonicContact NH2-OD2 3.63Å; R312-D342 PolarHBondContact NH2-OD2 2.91Å; R312-K344 VanDerWaalsContact CZ-O 3.23Å; R312-K344 PolarHBondContact NE-O 3.15Å; R312-K344 PolarHBondContact NH2-O 2.99Å; R312-L345 HydrophobicContact CB-CD1 4.02Å; R312-L345 WeakPolarHBondContact CB-O 3.49Å; R312-L345 VanDerWaalsContact CD-O 3.27Å; R312-L345 WeakPolarHBondContact CD-O 3.45Å; R312-L345 HydrophobicContact CG-CD1 4.25Å; R312-L345 WeakPolarHBondContact CG-O 3.34Å
313C98.9Very high98.6Very high0 Ų017.3 Ų17.30%08%0.083CC..Hα-helixtrans-62.4-58.9-176.3-168.70000111.7A265 L268 I280 H283 N309 V310 T315 Y316 E317A265-C313 HydrophobicContact CB-CB 4.49Å; L268-C313 HydrophobicContact CD1-CB 3.66Å; I280-C313 HydrophobicContact CG1-CB 4.18Å; H283-C313 PolarHBondContact ND1-SG 3.24Å; N309-C313 VanDerWaalsContact O-CB 3.28Å; N309-C313 WeakPolarHBondContact O-CB 3.31Å; N309-C313 PolarHBondContact O-N 3.05Å; V310-C313 PolarHBondContact O-N 3.5Å; C313-T315 VanDerWaalsContact C-N 3.25Å; C313-T315 PolarHBondContact O-N 2.83Å; C313-Y316 PolarHBondContact O-N 3.33Å; C313-E317 WeakPolarHBondContact O-CG 3.38Å; C313-E317 PolarHBondContact O-N 2.92Å
314W98.9Very high98.5Very high0 Ų017.7 Ų17.70%09%0.085CC..Hα-helixtrans-66.4-28.4-177.7-64.6-20.1000112.7R36 I37 T40 W137 C263 G301 V310 T318R36-W314 HydrophobicContact CG-CZ3 4.29Å; I37-W314 HydrophobicContact CG1-CZ3 4.06Å; T40-W314 HydrophobicContact CG2-CB 3.62Å; W137-W314 HydrophobicContact CB-CD2 4.33Å; W137-W314 HydrophobicContact CB-CE3 3.78Å; W137-W314 HydrophobicContact CB-CZ3 3.98Å; W137-W314 HydrophobicContact CD2-CB 3.84Å; W137-W314 HydrophobicContact CD2-CD2 4.11Å; W137-W314 HydrophobicContact CD2-CE3 4.42Å; W137-W314 AromaticContact CD2-CG 3.87Å; W137-W314 HydrophobicContact CD2-CG 3.87Å; W137-W314 HydrophobicContact CE3-CB 4.26Å; W137-W314 AromaticContact CE3-CD1 3.87Å; W137-W314 HydrophobicContact CE3-CD2 4.02Å; W137-W314 AromaticContact CE3-CG 3.83Å; W137-W314 HydrophobicContact CE3-CG 3.83Å; W137-W314 HydrophobicContact CG-CB 4.19Å; W137-W314 HydrophobicContact CG-CD2 4.26Å; W137-W314 HydrophobicContact CG-CE3 4.08Å; W137-W314 HydrophobicContact CG-CG 4.34Å; W137-W314 HydrophobicContact CH2-CB 4.41Å; W137-W314 HydrophobicContact CH2-CG 4.42Å; W137-W314 HydrophobicContact CZ2-CB 4.03Å; W137-W314 HydrophobicContact CZ2-CG 4.47Å; W137-W314 WeakPolarHBondContact CZ2-O 3.38Å; W137-W314 AromaticContact CZ3-CD1 3.78Å; W137-W314 HydrophobicContact CZ3-CG 4.13Å; W137-W314 WeakPolarHBondContact O-CH2 3.35Å; C263-W314 PolarHBondContact O-NE1 3.11Å; G301-W314 VanDerWaalsContact CA-CZ2 3.49Å; V310-W314 HydrophobicContact CG1-CD2 3.64Å; V310-W314 HydrophobicContact CG1-CE3 3.48Å; V310-W314 VanDerWaalsContact CG1-CE3 3.48Å; V310-W314 HydrophobicContact CG1-CG 4.49Å; V310-W314 HydrophobicContact CG1-CH2 3.76Å; V310-W314 HydrophobicContact CG1-CZ2 3.83Å; V310-W314 HydrophobicContact CG1-CZ3 3.54Å; V310-W314 PolarHBondContact O-N 3.19Å; W314-T318 WeakPolarHBondContact O-CB 3.41Å; W314-T318 PolarHBondContact O-N 2.83Å; W314-T318 PolarHBondContact O-OG1 3.19Å
315T98.9Very high98.4Very high0 Ų025.5 Ų25.50%013%0.127CC..Hα-helixtrans-61.9-48.7169.7-64.10000111.1L43 L44 Y47 A311 C313 T318 S319 I326 L345L43-T315 HydrophobicContact CB-CG2 4.07Å; L43-T315 WeakPolarHBondContact CB-OG1 3.39Å; L44-T315 HydrophobicContact CD2-CG2 4.14Å; Y47-T315 HydrophobicContact CD2-CG2 3.6Å; Y47-T315 HydrophobicContact CE2-CG2 3.84Å; A311-T315 WeakPolarHBondContact O-CB 3.36Å; A311-T315 PolarHBondContact O-N 3.16Å; A311-T315 VanDerWaalsContact O-N 3.15Å; A311-T315 PolarHBondContact O-OG1 3.37Å; C313-T315 VanDerWaalsContact C-N 3.25Å; C313-T315 PolarHBondContact O-N 2.83Å; T315-T318 PolarHBondContact O-N 3.32Å; T315-S319 PolarHBondContact O-N 3.46Å; T315-S319 VanDerWaalsContact O-N 3.16Å; T315-I326 HydrophobicContact CG2-CD1 4.22Å; T315-L345 HydrophobicContact CG2-CD1 4.37Å
316Y98.9Very high98.4Very high40 Ų4026 Ų2616%0.15713%0.13CC..Hα-helixtrans-67.5-41.3179.3-171.5-117.5000112.1I280 R281 A284 R312 C313 T318 S319 V320 I326 L345 H346I280-Y316 HydrophobicContact CG2-CD1 3.52Å; I280-Y316 HydrophobicContact CG2-CE1 4.46Å; I280-Y316 HydrophobicContact CG2-CG 3.85Å; R281-Y316 HydrophobicContact CG-CE1 4.43Å; R281-Y316 PolarHBondContact NH1-OH 2.56Å; A284-Y316 HydrophobicContact CB-CD1 3.57Å; A284-Y316 HydrophobicContact CB-CE1 3.72Å; R312-Y316 WeakPolarHBondContact O-CB 3.38Å; R312-Y316 PolarHBondContact O-N 2.78Å; C313-Y316 PolarHBondContact O-N 3.33Å; Y316-T318 VanDerWaalsContact C-N 3.29Å; Y316-T318 PolarHBondContact O-N 3.27Å; Y316-S319 CarbonylContact O-C 3.49Å; Y316-S319 WeakPolarHBondContact O-CA 3.36Å; Y316-S319 WeakPolarHBondContact O-CB 3.17Å; Y316-S319 PolarHBondContact O-N 3.22Å; Y316-S319 PolarHBondContact O-OG 3.46Å; Y316-V320 HydrophobicContact CD1-CG2 4.45Å; Y316-V320 HydrophobicContact CE1-CG2 4.24Å; Y316-V320 WeakPolarHBondContact O-CG2 3.47Å; Y316-V320 PolarHBondContact O-N 3.46Å; Y316-I326 HydrophobicContact CD2-CD1 4.19Å; Y316-I326 HydrophobicContact CD2-CG1 4.19Å; Y316-L345 HydrophobicContact CD2-CD2 3.82Å; Y316-L345 HydrophobicContact CG-CD2 4.37Å; Y316-H346 AromaticContact CD2-CE1 3.74Å; Y316-H346 AromaticContact CE1-CE1 3.94Å; Y316-H346 AromaticContact CE2-CE1 3.57Å; Y316-H346 AromaticContact CE2-NE2 3.99Å; Y316-H346 AromaticContact CZ-CE1 3.66Å
317E98.9Very high98.4Very high0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-65.3-32.7177-69.3-174.9144.400113W137 C263 H283 A284 V287 M299 C313 S319 V320 A321W137-E317 HydrophobicContact CH2-CB 4.03Å; W137-E317 HydrophobicContact CZ2-CB 4.24Å; C263-E317 WeakPolarHBondContact CB-OE2 3.46Å; H283-E317 IonicContact CE1-OE1 3.02Å; H283-E317 PolarHBondContact CE1-OE1 3.01Å; H283-E317 VanDerWaalsContact CE1-OE1 3.28Å; H283-E317 IonicContact CG-OE1 3.56Å; H283-E317 IonicContact ND1-OE1 3.46Å; H283-E317 PolarHBondContact ND1-OE1 2.84Å; A284-E317 HydrophobicContact CB-CG 3.86Å; V287-E317 HydrophobicContact CG2-CB 4.32Å; V287-E317 HydrophobicContact CG2-CG 4.01Å; V287-E317 WeakPolarHBondContact CG2-OE1 3.5Å; M299-E317 HydrophobicContact CE-CB 4.19Å; C313-E317 WeakPolarHBondContact O-CG 3.38Å; C313-E317 PolarHBondContact O-N 2.92Å; E317-S319 VanDerWaalsContact C-N 3.32Å; E317-V320 WeakPolarHBondContact O-CB 3.44Å; E317-V320 PolarHBondContact O-N 3.41Å; E317-A321 PolarHBondContact O-N 3.46Å
318T98.9Very high98.4Very high0 Ų030.6 Ų30.60%016%0.159CC..Hα-helixtrans-64.4-39170-54.10000110.8L44 M53 W137 W314 T315 Y316 V320 A321 L322L44-T318 HydrophobicContact CD1-CG2 4.37Å; L44-T318 HydrophobicContact CD2-CG2 3.67Å; M53-T318 HydrophobicContact CE-CG2 4.4Å; M53-T318 HydrophobicContact SD-CG2 3.87Å; W137-T318 WeakPolarHBondContact CZ2-OG1 3.38Å; W137-T318 PolarHBondContact NE1-OG1 2.87Å; W314-T318 WeakPolarHBondContact O-CB 3.41Å; W314-T318 PolarHBondContact O-N 2.83Å; W314-T318 PolarHBondContact O-OG1 3.19Å; T315-T318 PolarHBondContact O-N 3.32Å; Y316-T318 VanDerWaalsContact C-N 3.29Å; Y316-T318 PolarHBondContact O-N 3.27Å; T318-V320 VanDerWaalsContact C-N 3.33Å; T318-V320 PolarHBondContact O-N 2.95Å; T318-A321 WeakPolarHBondContact O-CB 3.43Å; T318-A321 PolarHBondContact O-N 2.95Å; T318-L322 HydrophobicContact CG2-CD1 4.09Å; T318-L322 WeakPolarHBondContact O-CB 2.93Å; T318-L322 WeakPolarHBondContact O-CG 3.46Å; T318-L322 PolarHBondContact O-N 3.02Å
319S98.6Very high98.3Very high3 Ų331.1 Ų31.12%0.02117%0.165CC..Hα-helixtrans-65.6-36.4175.2103.30000112T315 Y316 E317 L322 D323 T324T315-S319 PolarHBondContact O-N 3.46Å; T315-S319 VanDerWaalsContact O-N 3.16Å; Y316-S319 CarbonylContact O-C 3.49Å; Y316-S319 WeakPolarHBondContact O-CA 3.36Å; Y316-S319 WeakPolarHBondContact O-CB 3.17Å; Y316-S319 PolarHBondContact O-N 3.22Å; Y316-S319 PolarHBondContact O-OG 3.46Å; E317-S319 VanDerWaalsContact C-N 3.32Å; S319-L322 CarbonylContact O-C 3.56Å; S319-L322 PolarHBondContact O-N 3.46Å; S319-D323 PolarHBondContact O-N 3.37Å; S319-D323 VanDerWaalsContact O-N 3.15Å; S319-T324 VanDerWaalsContact CB-O 3.26Å; S319-T324 WeakPolarHBondContact CB-O 3.36Å; S319-T324 PolarHBondContact O-N 3.07Å; S319-T324 PolarHBondContact OG-O 3.4Å; S319-T324 VanDerWaalsContact OG-O 3.05Å
320V98.6Very high98.3Very high21 Ų2131.1 Ų31.113%0.12717%0.165CC..Hα-helixtrans-64.3-44.1171.6173.60000111A284 V287 E288 K291 Y316 E317 T318 L322 D323A284-V320 HydrophobicContact CB-CG2 4.22Å; V287-V320 HydrophobicContact CB-CG1 4.36Å; V287-V320 HydrophobicContact CG1-CG1 4.01Å; E288-V320 HydrophobicContact CB-CG1 3.9Å; K291-V320 PolarHBondContact NZ-O 2.9Å; Y316-V320 HydrophobicContact CD1-CG2 4.45Å; Y316-V320 HydrophobicContact CE1-CG2 4.24Å; Y316-V320 WeakPolarHBondContact O-CG2 3.47Å; Y316-V320 PolarHBondContact O-N 3.46Å; E317-V320 WeakPolarHBondContact O-CB 3.44Å; E317-V320 PolarHBondContact O-N 3.41Å; T318-V320 VanDerWaalsContact C-N 3.33Å; T318-V320 PolarHBondContact O-N 2.95Å; V320-L322 PolarHBondContact O-N 2.94Å; V320-D323 PolarHBondContact O-N 3.33Å
321A98.4Very high98.3Very high1 Ų132.6 Ų32.61%0.00818%0.175CC..Hα-helixtrans-57.2-36.3174.300000111.9I133 K291 M299 E317 T318I133-A321 HydrophobicContact CD1-CB 4.18Å; I133-A321 HydrophobicContact CG2-CB 4.41Å; K291-A321 WeakPolarHBondContact CE-O 3.37Å; K291-A321 PolarHBondContact NZ-O 3.25Å; M299-A321 HydrophobicContact CE-CB 4.43Å; M299-A321 HydrophobicContact SD-CB 3.9Å; E317-A321 PolarHBondContact O-N 3.46Å; T318-A321 WeakPolarHBondContact O-CB 3.43Å; T318-A321 PolarHBondContact O-N 2.95Å
322L98.2Very high98.2Very high14 Ų1440.2 Ų40.27%0.07321%0.205CC..THydrogen-bonded Turntrans-86-1.2-178.9-70.7169.6000115.9V13 L49 K52 M53 T318 S319 V320 T324V13-L322 HydrophobicContact CB-CD2 3.84Å; V13-L322 HydrophobicContact CG1-CD2 4.4Å; V13-L322 HydrophobicContact CG2-CD2 3.65Å; V13-L322 HydrophobicContact CG2-CG 4.31Å; L49-L322 HydrophobicContact CB-CD1 4.03Å; L49-L322 HydrophobicContact CD2-CD1 4.04Å; K52-L322 HydrophobicContact CB-CD1 4.23Å; K52-L322 HydrophobicContact CB-CD2 4.01Å; K52-L322 WeakPolarHBondContact O-CD2 3.33Å; M53-L322 HydrophobicContact CB-CD2 4.15Å; M53-L322 HydrophobicContact SD-CD1 4.35Å; T318-L322 HydrophobicContact CG2-CD1 4.09Å; T318-L322 WeakPolarHBondContact O-CB 2.93Å; T318-L322 WeakPolarHBondContact O-CG 3.46Å; T318-L322 PolarHBondContact O-N 3.02Å; S319-L322 CarbonylContact O-C 3.56Å; S319-L322 PolarHBondContact O-N 3.46Å; V320-L322 PolarHBondContact O-N 2.94Å; L322-T324 PolarHBondContact O-N 3.17Å; L322-T324 PolarHBondContact O-OG1 3.17Å
323D97.1Very high98.1Very high100 Ų10040 Ų4054%0.53520%0.204SC..THydrogen-bonded Turntrans47.144.9-169.3-64.6-50.9000111.7K291 S319 V320K291-D323 WeakPolarHBondContact CE-OD2 3.25Å; K291-D323 IonicContact NZ-OD1 3.93Å; K291-D323 PolarHBondContact NZ-OD1 3.23Å; K291-D323 IonicContact NZ-OD2 2.74Å; K291-D323 PolarHBondContact NZ-OD2 2.92Å; S319-D323 PolarHBondContact O-N 3.37Å; S319-D323 VanDerWaalsContact O-N 3.15Å; V320-D323 PolarHBondContact O-N 3.33Å
324T96.8Very high98.1Very high14 Ų1445.2 Ų45.29%0.08623%0.232CC..  trans-121.8120.6-179-72.60000110L49 K52 S319 L322 I326L49-T324 HydrophobicContact CD2-CG2 3.74Å; K52-T324 HydrophobicContact CD-CG2 4.27Å; K52-T324 WeakPolarHBondContact CD-OG1 3.45Å; K52-T324 PolarHBondContact NZ-OG1 2.61Å; K52-T324 VanDerWaalsContact NZ-OG1 3.1Å; S319-T324 VanDerWaalsContact CB-O 3.26Å; S319-T324 WeakPolarHBondContact CB-O 3.36Å; S319-T324 PolarHBondContact O-N 3.07Å; S319-T324 PolarHBondContact OG-O 3.4Å; S319-T324 VanDerWaalsContact OG-O 3.05Å; L322-T324 PolarHBondContact O-N 3.17Å; L322-T324 PolarHBondContact O-OG1 3.17Å; T324-I326 HydrophobicContact CG2-CG2 4.16Å
325D96.6Very high98Very high163 Ų16346.9 Ų46.987%0.87224%0.239SC*.  trans-69.8133.9167.6-65-38.7000110.2
326I97.9Very high97.9Very high21 Ų2148.9 Ų48.911%0.10825%0.247CC..  trans-123.5145.3173.556.8174.7000109.6Y47 L49 T315 Y316 T324 L345Y47-I326 HydrophobicContact CD1-CB 3.85Å; Y47-I326 HydrophobicContact CD1-CD1 4.38Å; Y47-I326 HydrophobicContact CD1-CG2 4.05Å; Y47-I326 HydrophobicContact CD2-CD1 4.43Å; Y47-I326 HydrophobicContact CE1-CB 3.89Å; Y47-I326 HydrophobicContact CE1-CD1 4.28Å; Y47-I326 HydrophobicContact CE1-CG1 4.46Å; Y47-I326 HydrophobicContact CE2-CD1 4.34Å; Y47-I326 HydrophobicContact CG-CD1 4.44Å; Y47-I326 HydrophobicContact CG-CG2 4.48Å; L49-I326 HydrophobicContact CD1-CG2 4.34Å; L49-I326 HydrophobicContact CD2-CG2 3.85Å; L49-I326 HydrophobicContact CG-CG2 4.33Å; T315-I326 HydrophobicContact CG2-CD1 4.22Å; Y316-I326 HydrophobicContact CD2-CD1 4.19Å; Y316-I326 HydrophobicContact CD2-CG1 4.19Å; T324-I326 HydrophobicContact CG2-CG2 4.16Å; I326-L345 HydrophobicContact CD1-CD2 3.51Å; I326-L345 HydrophobicContact CG1-CD2 3.88Å
327P98.1Very high97.8Very high81 Ų8152.9 Ų52.953%0.52627%0.267SS..  trans-68.9152.4179.928.3-33.7000111.3Y47 E329Y47-P327 HydrophobicContact CE1-CG 3.98Å; Y47-P327 WeakPolarHBondContact CE1-O 3.13Å; Y47-P327 PolarHBondContact OH-O 3.08Å; P327-E329 PolarHBondContact O-N 3.36Å
328D98.1Very high97.8Very high61 Ų6158.5 Ų58.533%0.32629%0.289SS..SBendtrans-70.6-21.2175.3-168.735.6000112.5L330 K344 L345 H346D328-L330 PolarHBondContact O-N 3Å; D328-K344 CarbonylContact O-C 3.45Å; D328-K344 WeakPolarHBondContact O-CA 3.27Å; D328-L345 PolarHBondContact O-N 3.02Å; D328-L345 PolarHBondContact OD1-N 3.44Å; D328-H346 WeakPolarHBondContact OD1-CB 3.38Å; D328-H346 IonicContact OD1-CD2 3.73Å; D328-H346 PolarHBondContact OD1-CD2 3.08Å; D328-H346 IonicContact OD1-CG 3.36Å; D328-H346 PolarHBondContact OD1-N 2.92Å
329E98.1Very high97.7Very high114 Ų11458.5 Ų58.553%0.53329%0.289SS..BIsolated β-bridgetrans-67.2121.9169.7-58.5-6216000109.9Y47 P327 K344Y47-E329 PolarHBondContact OH-O 2.92Å; P327-E329 PolarHBondContact O-N 3.36Å; E329-K344 IonicContact OE1-NZ 2.77Å; E329-K344 PolarHBondContact OE1-NZ 2.95Å; E329-K344 IonicContact OE2-NZ 3.97Å; E329-K344 PolarHBondContact OE2-NZ 3.01Å
330L98.3Very high97.4Very high13 Ų1359.2 Ų59.27%0.06830%0.297CS..PPolyproline II helixtrans-69.8133.9173.9-70172.8000109.9L43 Y47 D328 F336 F339 F343 K344 L345L43-L330 HydrophobicContact CD1-CD2 4.42Å; L43-L330 HydrophobicContact CD2-CD2 4.02Å; Y47-L330 HydrophobicContact CE2-CD2 3.98Å; D328-L330 PolarHBondContact O-N 3Å; L330-F336 HydrophobicContact CB-CE2 4.06Å; L330-F336 WeakPolarHBondContact O-CE2 3.49Å; L330-F339 HydrophobicContact CD1-CB 3.32Å; L330-F339 HydrophobicContact CD1-CD1 3.68Å; L330-F339 HydrophobicContact CD1-CD2 3.94Å; L330-F339 HydrophobicContact CD1-CE1 4.47Å; L330-F339 HydrophobicContact CD1-CG 3.36Å; L330-F343 WeakPolarHBondContact CB-O 3.46Å; L330-F343 WeakPolarHBondContact CG-O 3.35Å; L330-F343 PolarHBondContact N-O 3.17Å; L330-F343 VanDerWaalsContact N-O 3.07Å; L330-K344 WeakPolarHBondContact CD1-O 3.37Å; L330-L345 HydrophobicContact CD2-CB 4.13Å; L330-L345 HydrophobicContact CD2-CD1 3.98Å
331P97.9Very high97.2Very high32 Ų3264 Ų6421%0.20833%0.329CS..PPolyproline II helixtrans-69.2152.217031.7-35.5000109.8N46 Y47 N333 F336N46-P331 HydrophobicContact CB-CB 3.96Å; N46-P331 HydrophobicContact CB-CG 3.69Å; Y47-P331 HydrophobicContact CD1-CG 4.16Å; Y47-P331 HydrophobicContact CD2-CG 3.86Å; Y47-P331 HydrophobicContact CE1-CG 4.31Å; Y47-P331 VanDerWaalsContact CE2-CD 3.4Å; Y47-P331 HydrophobicContact CE2-CG 4.03Å; Y47-P331 HydrophobicContact CG-CG 3.94Å; P331-N333 PolarHBondContact O-N 3.36Å; P331-N333 PolarHBondContact O-ND2 2.86Å; P331-F336 WeakPolarHBondContact O-CD2 3.16Å
332Y97.5Very high97.1Very high160 Ų16067.1 Ų67.163%0.62735%0.345SS*.PPolyproline II helixtrans-56.5140.1170.9-174.5-101000109.9N46 F336N46-Y332 WeakPolarHBondContact CB-O 3.1Å; N46-Y332 PolarHBondContact OD1-O 3.48Å; N46-Y332 VanDerWaalsContact OD1-O 3.11Å; Y332-F336 HydrophobicContact CD2-CB 4.11Å; Y332-F336 HydrophobicContact CD2-CD1 4.22Å; Y332-F336 HydrophobicContact CD2-CG 4.04Å; Y332-F336 HydrophobicContact CE2-CB 4.22Å
333N97.2Very high97Very high1 Ų169.7 Ų69.71%0.00536%0.356CS..  trans-160167.9-173.271.780.8000109.5N42 L43 N46 P331 Y335 F336N42-N333 VanDerWaalsContact OD1-CB 3.26Å; N42-N333 WeakPolarHBondContact OD1-CB 3.41Å; L43-N333 HydrophobicContact CD2-CB 4.48Å; L43-N333 WeakPolarHBondContact CD2-ND2 3.45Å; N46-N333 HydrophobicContact CB-CB 4.29Å; N46-N333 WeakPolarHBondContact ND2-CB 3.41Å; P331-N333 PolarHBondContact O-N 3.36Å; P331-N333 PolarHBondContact O-ND2 2.86Å; N333-Y335 PolarHBondContact O-N 2.91Å; N333-Y335 WeakPolarHBondContact OD1-CA 3.38Å; N333-Y335 PolarHBondContact OD1-N 3.37Å; N333-F336 VanDerWaalsContact O-CB 3.31Å; N333-F336 WeakPolarHBondContact O-CB 3.43Å; N333-F336 PolarHBondContact O-N 2.94Å; N333-F336 VanDerWaalsContact O-N 3.09Å; N333-F336 PolarHBondContact OD1-N 3.49Å; N333-F336 VanDerWaalsContact OD1-N 3.11Å
334D97.4Very high97.1Very high110 Ų11067.7 Ų67.759%0.58834%0.343SS*.THydrogen-bonded Turntrans-66-16.6-172.2-58.8-29.7000113.3N42N42-D334 PolarHBondContact ND2-OD2 3.46Å; N42-D334 PolarHBondContact OD1-N 3.35Å
335Y97.6Very high97.2Very high36 Ų3667 Ų6714%0.14134%0.338CS..THydrogen-bonded Turntrans-117.321.4-179.4-47.7-61.8000111.9H35 R38 M39 N42 N333 E337 Y338 F339H35-Y335 AromaticContact CE1-CE1 3.5Å; H35-Y335 VanDerWaalsContact CE1-CE1 3.5Å; H35-Y335 WeakPolarHBondContact CE1-CE1 3.28Å; H35-Y335 AromaticContact CE1-CZ 3.56Å; H35-Y335 AromaticContact NE2-CD1 3.94Å; H35-Y335 AromaticContact NE2-CE1 3.75Å; R38-Y335 VanDerWaalsContact CD-OH 3.31Å; R38-Y335 WeakPolarHBondContact CD-OH 3.19Å; R38-Y335 HydrophobicContact CG-CE2 4.16Å; R38-Y335 PolarHBondContact NE-OH 3.1Å; M39-Y335 HydrophobicContact CB-CD2 4.22Å; M39-Y335 HydrophobicContact CG-CD2 3.82Å; M39-Y335 HydrophobicContact CG-CE2 4.29Å; M39-Y335 HydrophobicContact CG-CG 4.06Å; N42-Y335 HydrophobicContact CB-CD2 4.12Å; N42-Y335 HydrophobicContact CB-CE2 3.94Å; N333-Y335 PolarHBondContact O-N 2.91Å; N333-Y335 WeakPolarHBondContact OD1-CA 3.38Å; N333-Y335 PolarHBondContact OD1-N 3.37Å; Y335-E337 PolarHBondContact O-N 2.89Å; Y335-E337 VanDerWaalsContact O-N 3.11Å; Y335-Y338 VanDerWaalsContact O-CB 3.29Å; Y335-Y338 WeakPolarHBondContact O-CB 3.48Å; Y335-Y338 PolarHBondContact O-N 3.23Å; Y335-F339 WeakPolarHBondContact O-CD2 3.45Å; Y335-F339 WeakPolarHBondContact O-CE2 3.5Å
336F97.1Very high97.2Very high41 Ų4160.5 Ų60.518%0.1830%0.303CS..G310 helixtrans-54.4-37.8-170.7-171-105.7000113L330 P331 Y332 N333 Y338 F339 F343L330-F336 HydrophobicContact CB-CE2 4.06Å; L330-F336 WeakPolarHBondContact O-CE2 3.49Å; P331-F336 WeakPolarHBondContact O-CD2 3.16Å; Y332-F336 HydrophobicContact CD2-CB 4.11Å; Y332-F336 HydrophobicContact CD2-CD1 4.22Å; Y332-F336 HydrophobicContact CD2-CG 4.04Å; Y332-F336 HydrophobicContact CE2-CB 4.22Å; N333-F336 VanDerWaalsContact O-CB 3.31Å; N333-F336 WeakPolarHBondContact O-CB 3.43Å; N333-F336 PolarHBondContact O-N 2.94Å; N333-F336 VanDerWaalsContact O-N 3.09Å; N333-F336 PolarHBondContact OD1-N 3.49Å; N333-F336 VanDerWaalsContact OD1-N 3.11Å; F336-Y338 PolarHBondContact O-N 3.09Å; F336-F339 PolarHBondContact O-N 3.4Å; F336-F339 VanDerWaalsContact O-N 3.12Å; F336-F343 AromaticContact CD1-CD1 3.7Å; F336-F343 HydrophobicContact CD1-CD1 3.7Å; F336-F343 AromaticContact CD1-CE1 3.71Å; F336-F343 HydrophobicContact CD1-CE1 3.71Å; F336-F343 HydrophobicContact CD2-CD1 4.45Å; F336-F343 HydrophobicContact CE1-CB 4.35Å; F336-F343 AromaticContact CE1-CD1 3.23Å; F336-F343 HydrophobicContact CE1-CD1 3.23Å; F336-F343 AromaticContact CE1-CE1 3.52Å; F336-F343 HydrophobicContact CE1-CE1 3.52Å; F336-F343 AromaticContact CE1-CG 3.81Å; F336-F343 HydrophobicContact CE1-CG 3.81Å; F336-F343 HydrophobicContact CE1-CZ 4.31Å; F336-F343 HydrophobicContact CE2-CB 4.27Å; F336-F343 HydrophobicContact CE2-CD1 4.07Å; F336-F343 HydrophobicContact CG-CD1 4.29Å; F336-F343 HydrophobicContact CZ-CB 3.74Å; F336-F343 AromaticContact CZ-CD1 3.45Å; F336-F343 HydrophobicContact CZ-CD1 3.45Å; F336-F343 VanDerWaalsContact CZ-CD1 3.45Å; F336-F343 HydrophobicContact CZ-CE1 4.22Å; F336-F343 AromaticContact CZ-CG 3.72Å; F336-F343 HydrophobicContact CZ-CG 3.72Å; F336-F343 WeakPolarHBondContact O-CE1 3.39Å
337E97.4Very high97.2Very high125 Ų12560.7 Ų60.758%0.58430%0.304SS*.G310 helixtrans-64.2-22.4-179.9-64.673.9-161.400113.5Y335 F339 G340Y335-E337 PolarHBondContact O-N 2.89Å; Y335-E337 VanDerWaalsContact O-N 3.11Å; E337-F339 PolarHBondContact O-N 2.99Å; E337-G340 PolarHBondContact O-N 2.87Å
338Y97.4Very high97.1Very high117 Ų11761.8 Ų61.846%0.45931%0.314SS..G310 helixtrans-65.8-21.9176.1-79.5-111.9000112.7M39 I307 R308 Y335 F336M39-Y338 HydrophobicContact CE-CD1 3.85Å; M39-Y338 HydrophobicContact CE-CG 3.9Å; M39-Y338 HydrophobicContact SD-CD1 4.4Å; I307-Y338 HydrophobicContact CD1-CD1 4.31Å; I307-Y338 HydrophobicContact CD1-CE1 4.12Å; R308-Y338 WeakPolarHBondContact CD-O 3.36Å; Y335-Y338 VanDerWaalsContact O-CB 3.29Å; Y335-Y338 WeakPolarHBondContact O-CB 3.48Å; Y335-Y338 PolarHBondContact O-N 3.23Å; F336-Y338 PolarHBondContact O-N 3.09Å
339F97.8Very high97Very high0 Ų062.4 Ų62.40%032%0.321CS..G310 helixtrans-95.410.3-176.4-53.7-80.4000113.3M39 L43 R308 A311 R312 L330 Y335 F336 E337 F343M39-F339 HydrophobicContact CE-CE1 4.44Å; M39-F339 HydrophobicContact CE-CE2 4.37Å; M39-F339 HydrophobicContact CE-CZ 3.88Å; L43-F339 HydrophobicContact CD1-CE1 3.98Å; L43-F339 HydrophobicContact CD1-CE2 4.38Å; L43-F339 HydrophobicContact CD1-CZ 3.61Å; L43-F339 HydrophobicContact CD2-CE2 4.24Å; L43-F339 HydrophobicContact CD2-CZ 4.28Å; L43-F339 HydrophobicContact CG-CE2 4.45Å; L43-F339 HydrophobicContact CG-CZ 4.08Å; R308-F339 HydrophobicContact CB-CD1 4.1Å; R308-F339 HydrophobicContact CB-CE1 4.16Å; R308-F339 WeakPolarHBondContact O-CE1 3.43Å; A311-F339 HydrophobicContact CB-CE1 4.09Å; A311-F339 HydrophobicContact CB-CZ 4.05Å; R312-F339 HydrophobicContact CG-CD1 4.11Å; R312-F339 HydrophobicContact CG-CE1 4.05Å; R312-F339 PolarHBondContact NH2-O 3.44Å; L330-F339 HydrophobicContact CD1-CB 3.32Å; L330-F339 HydrophobicContact CD1-CD1 3.68Å; L330-F339 HydrophobicContact CD1-CD2 3.94Å; L330-F339 HydrophobicContact CD1-CE1 4.47Å; L330-F339 HydrophobicContact CD1-CG 3.36Å; Y335-F339 WeakPolarHBondContact O-CD2 3.45Å; Y335-F339 WeakPolarHBondContact O-CE2 3.5Å; F336-F339 PolarHBondContact O-N 3.4Å; F336-F339 VanDerWaalsContact O-N 3.12Å; E337-F339 PolarHBondContact O-N 2.99Å; F339-F343 HydrophobicContact CB-CD1 4.47Å; F339-F343 WeakPolarHBondContact O-CA 3.21Å; F339-F343 PolarHBondContact O-N 3.19Å
340G91.2Very high97Very high18 Ų1859.3 Ų59.319%0.18631%0.312CS..THydrogen-bonded Turntrans-67.2156.3173.300000113.2R308 E337R308-G340 PolarHBondContact NH1-O 3.2Å; E337-G340 PolarHBondContact O-N 2.87Å
341P94.9Very high96.8Very high122 Ų12266.5 Ų66.579%0.79235%0.35SS*.THydrogen-bonded Turncis-90.9-7.85.435.8-35.9000114.9F343P341-F343 WeakPolarHBondContact O-CD2 3.43Å; P341-F343 WeakPolarHBondContact O-CE2 3.23Å
342D95.8Very high96.8Very high67 Ų6768.9 Ų68.936%0.35836%0.36SS..THydrogen-bonded Turntrans-94-27.2-167.461.6-55.5000113.9R312 K344R312-D342 IonicContact NH2-OD1 3.72Å; R312-D342 PolarHBondContact NH2-OD1 3.11Å; R312-D342 IonicContact NH2-OD2 3.63Å; R312-D342 PolarHBondContact NH2-OD2 2.91Å; D342-K344 HydrophobicContact CB-CG 4.24Å; D342-K344 WeakPolarHBondContact O-CE 3.08Å; D342-K344 PolarHBondContact O-N 3.2Å; D342-K344 WeakPolarHBondContact OD2-CB 3.36Å; D342-K344 PolarHBondContact OD2-N 3.35Å
343F97.2Very high96.8Very high68 Ų6866.6 Ų66.630%0.29836%0.363SS..  trans54.731.8-179.2-50.7-82.3000113.5L330 F336 F339 P341L330-F343 WeakPolarHBondContact CB-O 3.46Å; L330-F343 WeakPolarHBondContact CG-O 3.35Å; L330-F343 PolarHBondContact N-O 3.17Å; L330-F343 VanDerWaalsContact N-O 3.07Å; F336-F343 AromaticContact CD1-CD1 3.7Å; F336-F343 HydrophobicContact CD1-CD1 3.7Å; F336-F343 AromaticContact CD1-CE1 3.71Å; F336-F343 HydrophobicContact CD1-CE1 3.71Å; F336-F343 HydrophobicContact CD2-CD1 4.45Å; F336-F343 HydrophobicContact CE1-CB 4.35Å; F336-F343 AromaticContact CE1-CD1 3.23Å; F336-F343 HydrophobicContact CE1-CD1 3.23Å; F336-F343 AromaticContact CE1-CE1 3.52Å; F336-F343 HydrophobicContact CE1-CE1 3.52Å; F336-F343 AromaticContact CE1-CG 3.81Å; F336-F343 HydrophobicContact CE1-CG 3.81Å; F336-F343 HydrophobicContact CE1-CZ 4.31Å; F336-F343 HydrophobicContact CE2-CB 4.27Å; F336-F343 HydrophobicContact CE2-CD1 4.07Å; F336-F343 HydrophobicContact CG-CD1 4.29Å; F336-F343 HydrophobicContact CZ-CB 3.74Å; F336-F343 AromaticContact CZ-CD1 3.45Å; F336-F343 HydrophobicContact CZ-CD1 3.45Å; F336-F343 VanDerWaalsContact CZ-CD1 3.45Å; F336-F343 HydrophobicContact CZ-CE1 4.22Å; F336-F343 AromaticContact CZ-CG 3.72Å; F336-F343 HydrophobicContact CZ-CG 3.72Å; F336-F343 WeakPolarHBondContact O-CE1 3.39Å; F339-F343 HydrophobicContact CB-CD1 4.47Å; F339-F343 WeakPolarHBondContact O-CA 3.21Å; F339-F343 PolarHBondContact O-N 3.19Å; P341-F343 WeakPolarHBondContact O-CD2 3.43Å; P341-F343 WeakPolarHBondContact O-CE2 3.23Å
344K98.3Very high96.8Very high57 Ų5768.5 Ų68.525%0.24837%0.372CS..BIsolated β-bridgetrans-100.1157.3175.4-53.9-55.6176.3-168.50112.3R312 D328 E329 L330 D342R312-K344 VanDerWaalsContact CZ-O 3.23Å; R312-K344 PolarHBondContact NE-O 3.15Å; R312-K344 PolarHBondContact NH2-O 2.99Å; D328-K344 CarbonylContact O-C 3.45Å; D328-K344 WeakPolarHBondContact O-CA 3.27Å; E329-K344 IonicContact OE1-NZ 2.77Å; E329-K344 PolarHBondContact OE1-NZ 2.95Å; E329-K344 IonicContact OE2-NZ 3.97Å; E329-K344 PolarHBondContact OE2-NZ 3.01Å; L330-K344 WeakPolarHBondContact CD1-O 3.37Å; D342-K344 HydrophobicContact CB-CG 4.24Å; D342-K344 WeakPolarHBondContact O-CE 3.08Å; D342-K344 PolarHBondContact O-N 3.2Å; D342-K344 WeakPolarHBondContact OD2-CB 3.36Å; D342-K344 PolarHBondContact OD2-N 3.35Å
345L98.4Very high96.9Very high0 Ų067.8 Ų67.80%037%0.366CS..SBendtrans-75.4-47.6174.4-177.865.6000110.6Y47 I280 R312 T315 Y316 I326 D328 L330Y47-L345 HydrophobicContact CE2-CD1 4.32Å; I280-L345 WeakPolarHBondContact CD1-O 3.44Å; R312-L345 HydrophobicContact CB-CD1 4.02Å; R312-L345 WeakPolarHBondContact CB-O 3.49Å; R312-L345 VanDerWaalsContact CD-O 3.27Å; R312-L345 WeakPolarHBondContact CD-O 3.45Å; R312-L345 HydrophobicContact CG-CD1 4.25Å; R312-L345 WeakPolarHBondContact CG-O 3.34Å; T315-L345 HydrophobicContact CG2-CD1 4.37Å; Y316-L345 HydrophobicContact CD2-CD2 3.82Å; Y316-L345 HydrophobicContact CG-CD2 4.37Å; I326-L345 HydrophobicContact CD1-CD2 3.51Å; I326-L345 HydrophobicContact CG1-CD2 3.88Å; D328-L345 PolarHBondContact O-N 3.02Å; D328-L345 PolarHBondContact OD1-N 3.44Å; L330-L345 HydrophobicContact CD2-CB 4.13Å; L330-L345 HydrophobicContact CD2-CD1 3.98Å
346H98.3Very high96.9Very high26 Ų2666.3 Ų66.312%0.1236%0.36CS..  trans-83.4147.6-174.1-64.1-60.1000112.9R281 Y316 D328R281-H346 VanDerWaalsContact CZ-CD2 3.48Å; R281-H346 PolarHBondContact NH1-NE2 3.31Å; R281-H346 PolarHBondContact NH2-CD2 3.03Å; R281-H346 PolarHBondContact NH2-NE2 3.23Å; Y316-H346 AromaticContact CD2-CE1 3.74Å; Y316-H346 AromaticContact CE1-CE1 3.94Å; Y316-H346 AromaticContact CE2-CE1 3.57Å; Y316-H346 AromaticContact CE2-NE2 3.99Å; Y316-H346 AromaticContact CZ-CE1 3.66Å; D328-H346 WeakPolarHBondContact OD1-CB 3.38Å; D328-H346 IonicContact OD1-CD2 3.73Å; D328-H346 PolarHBondContact OD1-CD2 3.08Å; D328-H346 IonicContact OD1-CG 3.36Å; D328-H346 PolarHBondContact OD1-N 2.92Å
347I97.1Very high97Very high25 Ų2568 Ų6813%0.12837%0.374CS..  trans-109.8149.2175.464.6176.9000110.1L268 I280L268-I347 HydrophobicContact CB-CD1 4.45Å; I280-I347 HydrophobicContact CD1-CB 4.48Å; I280-I347 HydrophobicContact CD1-CD1 4.45Å; I280-I347 HydrophobicContact CD1-CG1 4.06Å; I280-I347 HydrophobicContact CD1-CG2 3.98Å; I280-I347 HydrophobicContact CG1-CD1 4.22Å; I280-I347 HydrophobicContact CG1-CG1 4.06Å
348S95.8Very high96.9Very high105 Ų10567.8 Ų67.873%0.73438%0.375SS*.PPolyproline II helixtrans-89.8148.8170.8-62.30000110.8
349P96.9Very high97Very high74 Ų7470.1 Ų70.148%0.48139%0.39SS..PPolyproline II helixtrans-66.1154.6171.730.3-33.6000110.3T279T279-P349 HydrophobicContact CG2-CB 4.23Å; T279-P349 HydrophobicContact CG2-CG 4.26Å
350S96.4Very high97Very high49 Ų4972.4 Ų72.434%0.34340%0.398SS..PPolyproline II helixtrans-79.9172.3172.574.50000111.6S269 N277 M352S269-S350 PolarHBondContact OG-N 3.38Å; N277-S350 PolarHBondContact ND2-O 3.29Å; N277-S350 WeakPolarHBondContact OD1-CB 3.47Å; N277-S350 PolarHBondContact OD1-N 3.35Å; N277-S350 PolarHBondContact OD1-OG 2.98Å; S350-M352 PolarHBondContact O-N 3.08Å; S350-M352 VanDerWaalsContact OG-CB 3.26Å; S350-M352 WeakPolarHBondContact OG-CB 3.49Å; S350-M352 PolarHBondContact OG-N 2.63Å
351N96.2Very high97.3Very high164 Ų16471.9 Ų71.988%0.87739%0.391SS*.SBendtrans-8115.8171.869.2-29.6000113.7
352M96.1Very high97.4Very high82 Ų8269.1 Ų69.140%0.40437%0.37SS..  trans-57.8140.3175.4-177.4179.3-73.200110.7G233 S350G233-M352 VanDerWaalsContact CA-SD 3.53Å; S350-M352 PolarHBondContact O-N 3.08Å; S350-M352 VanDerWaalsContact OG-CB 3.26Å; S350-M352 WeakPolarHBondContact OG-CB 3.49Å; S350-M352 PolarHBondContact OG-N 2.63Å
353T98Very high97.5Very high112 Ų11272 Ų7269%0.68738%0.379SS*.  trans-76.2126.6177-58.60000110.4Q355T353-Q355 PolarHBondContact O-N 3.17Å
354N98.5Very high97.6Very high40 Ų4069 Ų6921%0.21437%0.367CS..  trans-73.5112.2171.4-174.7-5.9000110.5G233 D235 S238 N356G233-N354 VanDerWaalsContact O-CA 3.23Å; G233-N354 WeakPolarHBondContact O-CA 3.42Å; G233-N354 WeakPolarHBondContact O-CB 3.26Å; D235-N354 VanDerWaalsContact CG-ND2 3.32Å; D235-N354 PolarHBondContact OD2-ND2 2.93Å; S238-N354 PolarHBondContact OG-ND2 3.19Å; S238-N354 VanDerWaalsContact OG-ND2 3.1Å; N354-N356 VanDerWaalsContact C-N 3.28Å; N354-N356 VanDerWaalsContact OD1-CB 3.23Å; N354-N356 WeakPolarHBondContact OD1-CB 3.49Å; N354-N356 PolarHBondContact OD1-N 3.37Å; N354-N356 PolarHBondContact OD1-ND2 3.46Å
355Q98.4Very high97.6Very high96 Ų9668.3 Ų68.345%0.44936%0.363SS..  trans-860.3-179.3-60.3-1742900113.3R231 D232 T353 T357R231-Q355 HydrophobicContact CB-CB 3.86Å; D232-Q355 PolarHBondContact O-N 3.42Å; T353-Q355 PolarHBondContact O-N 3.17Å; Q355-T357 PolarHBondContact O-N 2.99Å
356N98.4Very high97.6Very high5 Ų574.1 Ų74.13%0.02739%0.39CS..  trans-92.785.6179.8-55.6-85.1000109.4R231 D232 N354 Y360 M361R231-N356 PolarHBondContact N-OD1 3.22Å; R231-N356 PolarHBondContact O-ND2 3.33Å; D232-N356 PolarHBondContact O-ND2 3.3Å; N354-N356 VanDerWaalsContact C-N 3.28Å; N354-N356 VanDerWaalsContact OD1-CB 3.23Å; N354-N356 WeakPolarHBondContact OD1-CB 3.49Å; N354-N356 PolarHBondContact OD1-N 3.37Å; N354-N356 PolarHBondContact OD1-ND2 3.46Å; N356-Y360 HydrophobicContact CB-CD1 4.5Å; N356-M361 HydrophobicContact CB-CG 4.05Å; N356-M361 HydrophobicContact CB-SD 4.04Å
357T98.2Very high97.6Very high77 Ų7778.5 Ų78.547%0.47241%0.406SS..  trans-62.5151.5175.365.90000110.7Q355 E359 Y360 M361Q355-T357 PolarHBondContact O-N 2.99Å; T357-E359 PolarHBondContact O-N 3.39Å; T357-Y360 WeakPolarHBondContact O-CB 3.31Å; T357-Y360 PolarHBondContact O-N 3.38Å; T357-Y360 WeakPolarHBondContact OG1-CB 3.41Å; T357-Y360 PolarHBondContact OG1-N 3.17Å; T357-M361 PolarHBondContact O-N 2.85Å
358M96.3Very high97.6Very high120 Ų12077.4 Ų77.459%0.59140%0.401SS*.Hα-helixtrans-56.8-39.8176.9-67.1-174-17200111.8Y360 M361 D362M358-Y360 VanDerWaalsContact C-N 3.33Å; M358-Y360 PolarHBondContact O-N 3.35Å; M358-M361 HydrophobicContact CG-CE 4.39Å; M358-M361 PolarHBondContact O-N 3.22Å; M358-D362 VanDerWaalsContact O-CB 3.32Å; M358-D362 WeakPolarHBondContact O-CB 3.45Å; M358-D362 PolarHBondContact O-N 3.16Å
359E97.9Very high97.7Very high165 Ų16574.6 Ų74.677%0.77138%0.375SS*.Hα-helixtrans-59.4-41.8175.6-63.7174.2-176.900112.5T357 K363T357-E359 PolarHBondContact O-N 3.39Å; E359-K363 VanDerWaalsContact O-CB 3.29Å; E359-K363 WeakPolarHBondContact O-CB 3.26Å; E359-K363 PolarHBondContact O-N 2.83Å; E359-K363 VanDerWaalsContact O-N 3.07Å
360Y98.1Very high97.8Very high48 Ų4876.2 Ų76.219%0.18838%0.376CS..Hα-helixtrans-63.6-50.6176.7172-99.6000111P229 R231 N356 T357 M358 D362 K363 I364P229-Y360 PolarHBondContact O-OH 3.02Å; R231-Y360 HydrophobicContact CG-CE1 4.37Å; N356-Y360 HydrophobicContact CB-CD1 4.5Å; T357-Y360 WeakPolarHBondContact O-CB 3.31Å; T357-Y360 PolarHBondContact O-N 3.38Å; T357-Y360 WeakPolarHBondContact OG1-CB 3.41Å; T357-Y360 PolarHBondContact OG1-N 3.17Å; M358-Y360 VanDerWaalsContact C-N 3.33Å; M358-Y360 PolarHBondContact O-N 3.35Å; Y360-D362 PolarHBondContact O-N 3.21Å; Y360-K363 PolarHBondContact O-N 3.04Å; Y360-I364 HydrophobicContact CD1-CD1 4.13Å; Y360-I364 HydrophobicContact CD2-CD1 4.37Å; Y360-I364 HydrophobicContact CE1-CD1 3.47Å; Y360-I364 VanDerWaalsContact CE1-CD1 3.47Å; Y360-I364 HydrophobicContact CE2-CD1 3.76Å; Y360-I364 PolarHBondContact O-N 3.48Å; Y360-I364 VanDerWaalsContact O-N 3.15Å; Y360-I364 WeakPolarHBondContact OH-CD1 3.46Å
361M98.1Very high97.8Very high7 Ų775.7 Ų75.73%0.03437%0.37CS..Hα-helixtrans-63.3-42.9-179.6-68.9-170.8-67.800112.3F228 I234 I242 N356 T357 M358 K363 I364 K365F228-M361 HydrophobicContact CZ-CB 4.48Å; I234-M361 HydrophobicContact CD1-SD 4.38Å; I242-M361 HydrophobicContact CG2-CB 3.9Å; I242-M361 HydrophobicContact CG2-CG 4.26Å; I242-M361 HydrophobicContact CG2-SD 3.94Å; N356-M361 HydrophobicContact CB-CG 4.05Å; N356-M361 HydrophobicContact CB-SD 4.04Å; T357-M361 PolarHBondContact O-N 2.85Å; M358-M361 HydrophobicContact CG-CE 4.39Å; M358-M361 PolarHBondContact O-N 3.22Å; M361-K363 VanDerWaalsContact C-N 3.34Å; M361-K363 PolarHBondContact O-N 2.74Å; M361-I364 PolarHBondContact O-N 2.82Å; M361-K365 VanDerWaalsContact O-CB 3.27Å; M361-K365 WeakPolarHBondContact O-CB 3.34Å; M361-K365 PolarHBondContact O-N 3.38Å
362D97.7Very high97.8Very high65 Ų6567.9 Ų67.935%0.34833%0.328SS..Hα-helixtrans-65.9-37.7179.1-77.9-23.6000111.8M358 Y360 K365 Q366M358-D362 VanDerWaalsContact O-CB 3.32Å; M358-D362 WeakPolarHBondContact O-CB 3.45Å; M358-D362 PolarHBondContact O-N 3.16Å; Y360-D362 PolarHBondContact O-N 3.21Å; D362-K365 PolarHBondContact O-N 3.45Å; D362-K365 WeakPolarHBondContact OD1-CE 3.46Å; D362-K365 IonicContact OD1-NZ 3.12Å; D362-K365 PolarHBondContact OD1-NZ 2.71Å; D362-Q366 WeakPolarHBondContact O-CB 3.5Å; D362-Q366 VanDerWaalsContact O-CG 3.23Å; D362-Q366 WeakPolarHBondContact O-CG 3.43Å; D362-Q366 PolarHBondContact O-N 3.35Å
363K98.1Very high97.8Very high126 Ų12671 Ų7155%0.54834%0.335SS..Hα-helixtrans-63.7-41.5176-174.5177.5-178.2178.30112.3E359 Y360 M361 R367E359-K363 VanDerWaalsContact O-CB 3.29Å; E359-K363 WeakPolarHBondContact O-CB 3.26Å; E359-K363 PolarHBondContact O-N 2.83Å; E359-K363 VanDerWaalsContact O-N 3.07Å; Y360-K363 PolarHBondContact O-N 3.04Å; M361-K363 VanDerWaalsContact C-N 3.34Å; M361-K363 PolarHBondContact O-N 2.74Å; K363-R367 PolarHBondContact O-N 2.79Å
364I98.3Very high97.6Very high7 Ų771.1 Ų71.14%0.03633%0.329CS..Hα-helixtrans-66-51.5175.4-68.6177.7000110L213 F228 P229 Y360 M361 Q366 R367 L368L213-I364 HydrophobicContact CD1-CG2 4.01Å; L213-I364 HydrophobicContact CD2-CG1 4.23Å; F228-I364 HydrophobicContact CD1-CG2 3.83Å; F228-I364 HydrophobicContact CD2-CG2 3.96Å; F228-I364 HydrophobicContact CE1-CB 4.05Å; F228-I364 HydrophobicContact CE1-CD1 4.19Å; F228-I364 HydrophobicContact CE1-CG2 3.68Å; F228-I364 HydrophobicContact CE2-CB 4.44Å; F228-I364 HydrophobicContact CE2-CG2 3.83Å; F228-I364 HydrophobicContact CG-CG2 3.96Å; F228-I364 HydrophobicContact CZ-CB 3.93Å; F228-I364 HydrophobicContact CZ-CG2 3.68Å; P229-I364 HydrophobicContact CG-CD1 4.09Å; P229-I364 VanDerWaalsContact O-CD1 3.25Å; P229-I364 WeakPolarHBondContact O-CD1 3.41Å; Y360-I364 HydrophobicContact CD1-CD1 4.13Å; Y360-I364 HydrophobicContact CD2-CD1 4.37Å; Y360-I364 HydrophobicContact CE1-CD1 3.47Å; Y360-I364 VanDerWaalsContact CE1-CD1 3.47Å; Y360-I364 HydrophobicContact CE2-CD1 3.76Å; Y360-I364 PolarHBondContact O-N 3.48Å; Y360-I364 VanDerWaalsContact O-N 3.15Å; Y360-I364 WeakPolarHBondContact OH-CD1 3.46Å; M361-I364 PolarHBondContact O-N 2.82Å; I364-Q366 VanDerWaalsContact C-N 3.29Å; I364-Q366 PolarHBondContact O-N 3.1Å; I364-R367 PolarHBondContact O-N 3.25Å; I364-L368 HydrophobicContact CG2-CD1 4.04Å; I364-L368 HydrophobicContact CG2-CG 4.25Å; I364-L368 WeakPolarHBondContact O-CG 3.37Å; I364-L368 PolarHBondContact O-N 3.05Å
365K97.9Very high97.3Very high41 Ų4169.5 Ų69.518%0.17832%0.32CS..Hα-helixtrans-54.2-43.7179.4-174.2176.272.1-158.40112.3F228 P245 V246 M361 D362 L368 F369F228-K365 HydrophobicContact CE2-CB 4.28Å; P245-K365 HydrophobicContact CB-CD 4.33Å; V246-K365 HydrophobicContact CG2-CG 4.22Å; M361-K365 VanDerWaalsContact O-CB 3.27Å; M361-K365 WeakPolarHBondContact O-CB 3.34Å; M361-K365 PolarHBondContact O-N 3.38Å; D362-K365 PolarHBondContact O-N 3.45Å; D362-K365 WeakPolarHBondContact OD1-CE 3.46Å; D362-K365 IonicContact OD1-NZ 3.12Å; D362-K365 PolarHBondContact OD1-NZ 2.71Å; K365-L368 PolarHBondContact O-N 2.98Å; K365-F369 HydrophobicContact CD-CZ 4.5Å; K365-F369 HydrophobicContact CG-CD1 4.14Å; K365-F369 HydrophobicContact CG-CE1 3.72Å; K365-F369 HydrophobicContact CG-CZ 4.1Å; K365-F369 WeakPolarHBondContact O-CD1 3.35Å; K365-F369 WeakPolarHBondContact O-CG 3.49Å; K365-F369 PolarHBondContact O-N 2.98Å
366Q98.1Very high96.6Very high122 Ų12268.6 Ų68.657%0.5732%0.323SS*.Hα-helixtrans-60.9-45.1176.7-76.6174.812.700112.3D362 I364 F369 E370D362-Q366 WeakPolarHBondContact O-CB 3.5Å; D362-Q366 VanDerWaalsContact O-CG 3.23Å; D362-Q366 WeakPolarHBondContact O-CG 3.43Å; D362-Q366 PolarHBondContact O-N 3.35Å; I364-Q366 VanDerWaalsContact C-N 3.29Å; I364-Q366 PolarHBondContact O-N 3.1Å; Q366-F369 WeakPolarHBondContact O-CB 3.41Å; Q366-F369 PolarHBondContact O-N 3.19Å; Q366-E370 WeakPolarHBondContact O-CG 3.43Å; Q366-E370 PolarHBondContact O-N 3.11Å
367R98.1Very high95Very high118 Ų11874.6 Ų74.645%0.44535%0.351SS..Hα-helixtrans-64.5-40.4176.7-74.2177.6170.1-1630.3112.4L213 K363 I364 F369 E370 N371L213-R367 HydrophobicContact CD1-CB 4.4Å; L213-R367 HydrophobicContact CD2-CB 4.19Å; L213-R367 VanDerWaalsContact CD2-CD 3.45Å; L213-R367 HydrophobicContact CD2-CG 4.48Å; K363-R367 PolarHBondContact O-N 2.79Å; I364-R367 PolarHBondContact O-N 3.25Å; R367-F369 VanDerWaalsContact C-N 3.28Å; R367-F369 PolarHBondContact O-N 3.29Å; R367-E370 WeakPolarHBondContact O-CB 3.4Å; R367-E370 PolarHBondContact O-N 2.82Å; R367-N371 PolarHBondContact O-N 3.11Å
368L98.1Very high92.9Very high3 Ų374.7 Ų74.72%0.01636%0.359CS..Hα-helixtrans-63-37.8173.9-65.5-177.1000111.6L213 V226 F228 I364 K365 E370 N371 L372L213-L368 HydrophobicContact CD1-CD2 3.48Å; L213-L368 VanDerWaalsContact CD1-CD2 3.48Å; L213-L368 HydrophobicContact CD1-CG 3.94Å; V226-L368 HydrophobicContact CG1-CD1 4.2Å; V226-L368 HydrophobicContact CG1-CD2 4.08Å; F228-L368 HydrophobicContact CB-CD1 4.17Å; F228-L368 HydrophobicContact CD2-CD1 3.5Å; F228-L368 VanDerWaalsContact CD2-CD1 3.5Å; F228-L368 HydrophobicContact CE2-CD1 4.17Å; F228-L368 HydrophobicContact CG-CD1 4.12Å; I364-L368 HydrophobicContact CG2-CD1 4.04Å; I364-L368 HydrophobicContact CG2-CG 4.25Å; I364-L368 WeakPolarHBondContact O-CG 3.37Å; I364-L368 PolarHBondContact O-N 3.05Å; K365-L368 PolarHBondContact O-N 2.98Å; L368-E370 VanDerWaalsContact C-N 3.33Å; L368-E370 PolarHBondContact O-N 3.34Å; L368-N371 PolarHBondContact O-N 2.73Å; L368-L372 WeakPolarHBondContact O-CB 3.07Å; L368-L372 WeakPolarHBondContact O-CG 3.42Å; L368-L372 PolarHBondContact O-N 3.39Å
369F98.1Very high90.9Very high46 Ų4672 Ų7220%0.20235%0.351CS..Hα-helixtrans-67.7-34.3176.2-79.831000111.9P245 V246 K249 K365 Q366 R367 R373P245-F369 HydrophobicContact CB-CZ 3.99Å; P245-F369 WeakPolarHBondContact O-CZ 3.36Å; V246-F369 HydrophobicContact CG2-CE1 4.07Å; K249-F369 HydrophobicContact CB-CE1 4.22Å; K249-F369 HydrophobicContact CB-CZ 4.28Å; K365-F369 HydrophobicContact CD-CZ 4.5Å; K365-F369 HydrophobicContact CG-CD1 4.14Å; K365-F369 HydrophobicContact CG-CE1 3.72Å; K365-F369 HydrophobicContact CG-CZ 4.1Å; K365-F369 WeakPolarHBondContact O-CD1 3.35Å; K365-F369 WeakPolarHBondContact O-CG 3.49Å; K365-F369 PolarHBondContact O-N 2.98Å; Q366-F369 WeakPolarHBondContact O-CB 3.41Å; Q366-F369 PolarHBondContact O-N 3.19Å; R367-F369 VanDerWaalsContact C-N 3.28Å; R367-F369 PolarHBondContact O-N 3.29Å; F369-R373 VanDerWaalsContact O-CG 3.24Å; F369-R373 WeakPolarHBondContact O-CG 3.45Å; F369-R373 PolarHBondContact O-N 3.03Å; F369-R373 VanDerWaalsContact O-N 3.12Å
370E97.7Very high88.7Confident107 Ų10767.5 Ų67.550%0.535%0.349SS..Hα-helixtrans-63.4-45.6171.2-70.5168.2-176.800111.5Q366 R367 L368 R373Q366-E370 WeakPolarHBondContact O-CG 3.43Å; Q366-E370 PolarHBondContact O-N 3.11Å; R367-E370 WeakPolarHBondContact O-CB 3.4Å; R367-E370 PolarHBondContact O-N 2.82Å; L368-E370 VanDerWaalsContact C-N 3.33Å; L368-E370 PolarHBondContact O-N 3.34Å; E370-R373 PolarHBondContact O-N 3.1Å
371N97.6Very high86.5Confident38 Ų3871 Ų7120%0.20337%0.374CS..Hα-helixtrans-60.6-47.1175.4-69.3-17000111.6I216 Y223 R367 L368 R373 M374I216-N371 WeakPolarHBondContact CG2-ND2 3.49Å; Y223-N371 HydrophobicContact CD1-CB 4.08Å; R367-N371 PolarHBondContact O-N 3.11Å; L368-N371 PolarHBondContact O-N 2.73Å; N371-R373 VanDerWaalsContact C-N 3.26Å; N371-R373 PolarHBondContact O-N 3.19Å; N371-M374 VanDerWaalsContact O-CB 3.26Å; N371-M374 WeakPolarHBondContact O-CB 3.22Å; N371-M374 PolarHBondContact O-N 2.81Å
372L96.4Very high84.3Confident1 Ų177.4 Ų77.41%0.00541%0.405CS..Hα-helixtrans-64.9-27.5-179.1-72.5170000113.2M196 V226 K249 V250 M253 L368 M374 L375M196-L372 HydrophobicContact CE-CD2 4.19Å; M196-L372 HydrophobicContact SD-CD2 4.43Å; V226-L372 HydrophobicContact CG2-CD2 4.08Å; K249-L372 HydrophobicContact CB-CD1 4Å; K249-L372 HydrophobicContact CG-CB 4.14Å; K249-L372 HydrophobicContact CG-CD1 3.8Å; V250-L372 HydrophobicContact CG2-CD1 3.93Å; V250-L372 HydrophobicContact CG2-CD2 4Å; M253-L372 WeakPolarHBondContact CE-O 3.38Å; M253-L372 HydrophobicContact CG-CB 4.4Å; L368-L372 WeakPolarHBondContact O-CB 3.07Å; L368-L372 WeakPolarHBondContact O-CG 3.42Å; L368-L372 PolarHBondContact O-N 3.39Å; L372-M374 PolarHBondContact O-N 2.96Å; L372-L375 PolarHBondContact O-N 3.42Å
373R95Very high81.9Confident148 Ų14882.9 Ų82.956%0.55843%0.43SS*.THydrogen-bonded Turntrans-67.3-17.4173.7-76.2169.2-170.6142.61.8113.3F369 E370 N371 L375F369-R373 VanDerWaalsContact O-CG 3.24Å; F369-R373 WeakPolarHBondContact O-CG 3.45Å; F369-R373 PolarHBondContact O-N 3.03Å; F369-R373 VanDerWaalsContact O-N 3.12Å; E370-R373 PolarHBondContact O-N 3.1Å; N371-R373 VanDerWaalsContact C-N 3.26Å; N371-R373 PolarHBondContact O-N 3.19Å; R373-L375 VanDerWaalsContact C-N 3.25Å; R373-L375 PolarHBondContact O-N 3.28Å
374M94.4Very high79.9Confident114 Ų11483 Ų8356%0.56243%0.433SS*.THydrogen-bonded Turntrans-77-12.5178.9-59-57.8-61.700112.8Y223 N371 L372Y223-M374 HydrophobicContact CD1-CB 4.1Å; Y223-M374 HydrophobicContact CD1-CG 4.24Å; Y223-M374 HydrophobicContact CD2-CB 3.69Å; Y223-M374 HydrophobicContact CD2-CG 4.43Å; Y223-M374 HydrophobicContact CE1-CB 4.14Å; Y223-M374 HydrophobicContact CE1-CG 3.88Å; Y223-M374 HydrophobicContact CE2-CB 3.75Å; Y223-M374 HydrophobicContact CE2-CE 4.5Å; Y223-M374 HydrophobicContact CE2-CG 4.1Å; Y223-M374 HydrophobicContact CG-CB 3.87Å; Y223-M374 HydrophobicContact CG-CG 4.5Å; N371-M374 VanDerWaalsContact O-CB 3.26Å; N371-M374 WeakPolarHBondContact O-CB 3.22Å; N371-M374 PolarHBondContact O-N 2.81Å; L372-M374 PolarHBondContact O-N 2.96Å
375L91.5Very high78Confident5 Ų587.2 Ų87.23%0.02647%0.469CS..SBendtrans-69.8142.6176.8-87.774.4000111.6M196 Y224 M253 Y254 L372 R373M196-L375 HydrophobicContact CE-CD1 4.33Å; M196-L375 HydrophobicContact CE-CD2 3.46Å; M196-L375 VanDerWaalsContact CE-CD2 3.46Å; Y224-L375 HydrophobicContact CD1-CD2 4.4Å; Y224-L375 HydrophobicContact CE1-CD2 3.88Å; Y224-L375 HydrophobicContact CE1-CG 4.34Å; Y224-L375 HydrophobicContact CE2-CG 4.48Å; M253-L375 HydrophobicContact CB-CB 4.4Å; M253-L375 HydrophobicContact CB-CD2 4.4Å; M253-L375 HydrophobicContact CE-CB 4.3Å; Y254-L375 HydrophobicContact CD2-CD2 4.17Å; L372-L375 PolarHBondContact O-N 3.42Å; R373-L375 VanDerWaalsContact C-N 3.25Å; R373-L375 PolarHBondContact O-N 3.28Å
376P84.1Confident76.7Confident78 Ų7890 Ų9051%0.50648%0.484SS..  trans-66.1136.5171.128.7-32.9000110A378P376-A378 VanDerWaalsContact C-N 3.26Å; P376-A378 PolarHBondContact O-N 2.8Å
377H66.1Low75.6Confident131 Ų13187.9 Ų87.961%0.60648%0.481SS*.SBendtrans-78.5-9.4-175-61.664.9000113.1
378A52.2Low74.6Confident79 Ų7990.9 Ų90.965%0.65350%0.5SS*.SBendtrans-141118-177.900000110.6P376P376-A378 VanDerWaalsContact C-N 3.26Å; P376-A378 PolarHBondContact O-N 2.8Å
379P55.8Low73.5Confident64 Ų6492.3 Ų92.342%0.41651%0.508SS..PPolyproline II helixtrans-80.9143.1-178.630.6-33.2000112.2R171R171-P379 VanDerWaalsContact NH1-CB 3.31Å; R171-P379 VanDerWaalsContact NH1-CG 3.28Å
380G51Low72.1Confident70 Ų7090.7 Ų90.772%0.72250%0.503SS*.PPolyproline II helixtrans-80.3134.716300000110.4
381V52.2Low70.8Confident120 Ų12085.8 Ų85.873%0.72748%0.481SS*.PPolyproline II helixtrans-93.9118.7177.3-177.50000108.8
382Q51.3Low68.8Low143 Ų14388 Ų8867%0.66850%0.497SS*.  trans-105.3119.1171.2-170.8174-3.200108.8Q384Q382-Q384 PolarHBondContact O-N 2.8Å
383M47.5Very low66.7Low180 Ų18095.3 Ų95.389%0.88753%0.531SS*.  trans-67.2127.6177.2-65-77.9-77.400110
384Q56.9Low64.5Low128 Ų12895.9 Ų95.960%0.59855%0.545SS*.  trans-126.7148172.6-69.7-175.3-16.600109.6Q382Q382-Q384 PolarHBondContact O-N 2.8Å
385A58.2Low62.3Low96 Ų9694.4 Ų94.479%0.79354%0.543SS*.PPolyproline II helixtrans-70.8134.817200000109.6P387A385-P387 VanDerWaalsContact O-CD 3.31Å; A385-P387 WeakPolarHBondContact O-CD 3.5Å
386I69.6Low60.1Low98 Ų9896.5 Ų96.550%0.50356%0.556SS.*PPolyproline II helixtrans-76.3118.2-177.5-58.1174000108.5K167 Y168K167-I386 HydrophobicContact CB-CG2 4.21Å; Y168-I386 HydrophobicContact CD1-CD1 4.18Å; Y168-I386 HydrophobicContact CE1-CD1 3.99Å; Y168-I386 HydrophobicContact CE1-CG2 4.08Å; Y168-I386 HydrophobicContact CE2-CG2 4.02Å
387P75Confident58.2Low79 Ų7995 Ų9551%0.51354%0.543SS..PPolyproline II helixtrans-68.4157.1172.6-15.630.2000112.1K167 A385K167-P387 HydrophobicContact CG-CG 4.47Å; A385-P387 VanDerWaalsContact O-CD 3.31Å; A385-P387 WeakPolarHBondContact O-CD 3.5Å
388E78.1Confident57.2Low181 Ų18193.4 Ų93.485%0.84654%0.536SS*.PPolyproline II helixtrans-58.8137.9178.2-65.6179.2178.600112.9K167K167-E388 WeakPolarHBondContact CE-O 3.19Å; K167-E388 VanDerWaalsContact NZ-C 3.35Å; K167-E388 PolarHBondContact NZ-O 3.11Å
389D74.9Confident57.2Low33 Ų3396.6 Ų96.618%0.17654%0.542CS..PPolyproline II helixtrans-52.1150.8179.4-74.3-3.4000112.9R128 E164 Y168 V391R128-D389 IonicContact CZ-OD2 2.7Å; R128-D389 IonicContact NE-OD2 3.77Å; R128-D389 PolarHBondContact NE-OD2 3.11Å; R128-D389 VanDerWaalsContact NE-OD2 3.12Å; R128-D389 IonicContact NH2-OD2 3.78Å; R128-D389 PolarHBondContact NH2-OD2 3Å; E164-D389 WeakPolarHBondContact OE1-CA 3.31Å; Y168-D389 WeakPolarHBondContact CE2-OD1 3.12Å; Y168-D389 PolarHBondContact OH-OD1 2.62Å; Y168-D389 VanDerWaalsContact OH-OD1 3.08Å; D389-V391 VanDerWaalsContact C-N 3.29Å; D389-V391 PolarHBondContact O-N 3.02Å
390A69.2Low56.8Low12 Ų1298.7 Ų98.710%0.09955%0.554CS.*SBendtrans-65.9-32.3178.600000113.9E65 K68 E164E65-A390 HydrophobicContact CG-CB 4.33Å; K68-A390 VanDerWaalsContact NZ-CA 3.29Å; E164-A390 HydrophobicContact CG-CB 4.42Å; E164-A390 PolarHBondContact OE1-N 2.96Å; E164-A390 WeakPolarHBondContact OE2-CB 3.13Å; E164-A390 PolarHBondContact OE2-N 3.43Å
391V69.6Low56.9Low4 Ų4100.2 Ų100.22%0.02454%0.542CS..SBendtrans-107.2119.7-177.8-173.40000108.3H59 V124 D389 T395 V396H59-V391 WeakPolarHBondContact CE1-CG2 3.29Å; V124-V391 HydrophobicContact CG2-CB 4.28Å; V124-V391 HydrophobicContact CG2-CG2 4.01Å; D389-V391 VanDerWaalsContact C-N 3.29Å; D389-V391 PolarHBondContact O-N 3.02Å; V391-T395 WeakPolarHBondContact CG1-OG1 3.42Å; V391-V396 HydrophobicContact CG1-CG2 4.07Å
392P55.7Low56.8Low83 Ų8398.1 Ų98.154%0.53953%0.527SS..  trans-60147.1179-2232.1000112.3D394 T395P392-D394 PolarHBondContact O-N 3.37Å; P392-D394 VanDerWaalsContact O-N 3.11Å; P392-T395 PolarHBondContact O-N 3.3Å; P392-T395 PolarHBondContact O-OG1 2.96Å
393E52.3Low57.2Low156 Ų15697.3 Ų97.373%0.72953%0.534SS*.G310 helixtrans-53.8-32.3-179.9-70.5-17516100113.2T395E393-T395 PolarHBondContact O-N 3.07Å
394D47.9Very low58Low160 Ų16095.8 Ų95.886%0.85653%0.53SS*.G310 helixtrans-726.7-177.7-61.7-19.1000115.3P392P392-D394 PolarHBondContact O-N 3.37Å; P392-D394 VanDerWaalsContact O-N 3.11Å
395T49.8Very low58.4Low83 Ų8396.5 Ų96.551%0.50953%0.53SS..G310 helixtrans-121.98.6-177.752.70000114.6V391 P392 E393V391-T395 WeakPolarHBondContact CG1-OG1 3.42Å; P392-T395 PolarHBondContact O-N 3.3Å; P392-T395 PolarHBondContact O-OG1 2.96Å; E393-T395 PolarHBondContact O-N 3.07Å
396V44.3Very low58.4Low49 Ų49103.8 Ų103.830%0.29754%0.537SS..SBendtrans-133124.7-179.7-159.30000110.7V391V391-V396 HydrophobicContact CG1-CG2 4.07Å
397D44.6Very low57.7Low46 Ų46102 Ų10225%0.24653%0.529CS..  trans79.669.9170.1-90.4-14.7000119.4D399 T400D397-D399 PolarHBondContact O-N 3.46Å; D397-T400 HydrophobicContact CB-CG2 3.85Å; D397-T400 PolarHBondContact O-N 3.2Å; D397-T400 PolarHBondContact O-OG1 2.79Å
398E45.2Very low56.9Low98 Ų98101.8 Ų101.846%0.45853%0.529SS..G310 helixtrans-62-21153.3-77-171.6-174.300111.6T400 E401 R415E398-T400 PolarHBondContact O-N 3.03Å; E398-E401 WeakPolarHBondContact O-CB 3.28Å; E398-E401 PolarHBondContact O-N 2.88Å; E398-R415 IonicContact OE2-CZ 3.65Å; E398-R415 IonicContact OE2-NE 2.95Å; E398-R415 IonicContact OE2-NH2 3.27Å; E398-R415 PolarHBondContact OE2-NH2 3.3Å
399D51.5Low55.8Low146 Ų14699.6 Ų99.678%0.78152%0.522SS*.G310 helixtrans-76.2-5.1178.3-67.9-22.9000113.8D397D397-D399 PolarHBondContact O-N 3.46Å
400T48.1Very low54.8Low107 Ų107107.7 Ų107.766%0.65655%0.55SS*.G310 helixtrans-100.9-3.7167.563.60000113D397 E398D397-T400 HydrophobicContact CB-CG2 3.85Å; D397-T400 PolarHBondContact O-N 3.2Å; D397-T400 PolarHBondContact O-OG1 2.79Å; E398-T400 PolarHBondContact O-N 3.03Å
401E52.2Low54.2Low103 Ų103108.1 Ų108.148%0.48155%0.553SS.*SBendtrans-75.7130.7174.7-65.3-160.1158.600110.2E398 L407E398-E401 WeakPolarHBondContact O-CB 3.28Å; E398-E401 PolarHBondContact O-N 2.88Å; E401-L407 VanDerWaalsContact OE2-CD2 3.3Å; E401-L407 WeakPolarHBondContact OE2-CD2 3.46Å
402D51.8Low53.5Low75 Ų75111 Ų11140%0.40157%0.571SS.*  trans-51.2121.7174.6-177.7-9.4000109.9D404 K405D402-D404 PolarHBondContact O-N 3.21Å; D402-D404 PolarHBondContact OD1-N 2.8Å; D402-D404 VanDerWaalsContact OD1-N 3.09Å; D402-K405 HydrophobicContact CB-CB 4.45Å; D402-K405 HydrophobicContact CB-CD 3.98Å; D402-K405 HydrophobicContact CB-CG 3.98Å; D402-K405 WeakPolarHBondContact O-CB 3.49Å; D402-K405 PolarHBondContact O-N 3.42Å
403P58.4Low53.4Low126 Ų126113.1 Ų113.182%0.81858%0.578SS**THydrogen-bonded Turntrans-59.6-14.9-178.622.6-32.5000113.3
404D64.1Low53.4Low149 Ų149113.2 Ų113.280%0.79758%0.576SS**THydrogen-bonded Turntrans-88.6-1.1175-69.2-29.5000113.9D402D402-D404 PolarHBondContact O-N 3.21Å; D402-D404 PolarHBondContact OD1-N 2.8Å; D402-D404 VanDerWaalsContact OD1-N 3.09Å
405K66.9Low53.5Low142 Ų142112 Ų11262%0.61756%0.559SS**SBendtrans-92126.7175.5-74.8-179.2-173.3172.60111.7D402 L407D402-K405 HydrophobicContact CB-CB 4.45Å; D402-K405 HydrophobicContact CB-CD 3.98Å; D402-K405 HydrophobicContact CB-CG 3.98Å; D402-K405 WeakPolarHBondContact O-CB 3.49Å; D402-K405 PolarHBondContact O-N 3.42Å; K405-L407 PolarHBondContact O-N 2.59Å
406R56.3Low53.5Low249 Ų249115.3 Ų115.394%0.9457%0.572SS**  trans-72.6112.1179.2-161.6-176.4-115.4-169.5-1.6110.1
407L56.1Low53.5Low61 Ų61116.9 Ų116.932%0.31959%0.59SS.*  trans-55.8142.8172.2-70.9160.7000111.4E401 K405E401-L407 VanDerWaalsContact OE2-CD2 3.3Å; E401-L407 WeakPolarHBondContact OE2-CD2 3.46Å; K405-L407 PolarHBondContact O-N 2.59Å
408S58.4Low53.3Low74 Ų74118.3 Ų118.352%0.51760%0.603SS.*  trans-71.2146.6176.878.90000111.2R410 A411 T412S408-R410 PolarHBondContact O-N 3.39Å; S408-R410 VanDerWaalsContact O-N 3.1Å; S408-A411 WeakPolarHBondContact O-CA 3.45Å; S408-A411 WeakPolarHBondContact O-CB 3.37Å; S408-A411 PolarHBondContact O-N 3.36Å; S408-A411 PolarHBondContact OG-N 2.77Å; S408-T412 PolarHBondContact O-N 3.16Å; S408-T412 PolarHBondContact O-OG1 3.22Å
409I54.5Low53.2Low135 Ų135121.7 Ų121.769%0.69262%0.624SS**Hα-helixtrans-53.6-35177.7-64.3168.5000111.2A411 T412 D413I409-A411 VanDerWaalsContact C-N 3.33Å; I409-A411 PolarHBondContact O-N 2.77Å; I409-T412 PolarHBondContact O-N 3.34Å; I409-D413 PolarHBondContact O-N 3.15Å
410R54.1Low53.2Low203 Ų203122.8 Ų122.877%0.76663%0.625SS**Hα-helixtrans-67.4-28.5177.4-168.3178-178.3-172.9-1.1113.7S408S408-R410 PolarHBondContact O-N 3.39Å; S408-R410 VanDerWaalsContact O-N 3.1Å
411A55.7Low52.9Low21 Ų21124.3 Ų124.317%0.17462%0.624CS.*Hα-helixtrans-77.1-37.6174.100000110.9S408 I409 K414S408-A411 WeakPolarHBondContact O-CA 3.45Å; S408-A411 WeakPolarHBondContact O-CB 3.37Å; S408-A411 PolarHBondContact O-N 3.36Å; S408-A411 PolarHBondContact OG-N 2.77Å; I409-A411 VanDerWaalsContact C-N 3.33Å; I409-A411 PolarHBondContact O-N 2.77Å; A411-K414 PolarHBondContact O-N 3.09Å
412T55.1Low52.4Low65 Ų65129.2 Ų129.240%0.39965%0.645SS.*Hα-helixtrans-67-40.7175.9-360000112.2S408 I409 K414 R415S408-T412 PolarHBondContact O-N 3.16Å; S408-T412 PolarHBondContact O-OG1 3.22Å; I409-T412 PolarHBondContact O-N 3.34Å; T412-K414 PolarHBondContact O-N 3.05Å; T412-R415 VanDerWaalsContact O-CB 3.29Å; T412-R415 WeakPolarHBondContact O-CB 3.36Å; T412-R415 PolarHBondContact O-N 3.11Å
413D54.1Low51.8Low128 Ų128130.6 Ų130.668%0.68466%0.66SS**THydrogen-bonded Turntrans-69.3-16.4179.8-73.6-15.2000113.9I409 R415I409-D413 PolarHBondContact O-N 3.15Å; D413-R415 VanDerWaalsContact C-N 3.29Å
414K52.2Low50.9Low157 Ų157131.4 Ų131.468%0.68366%0.658SS**THydrogen-bonded Turntrans-78.3-12.9171.7-80.7-177.5177.1-178.20113A411 T412 I416A411-K414 PolarHBondContact O-N 3.09Å; T412-K414 PolarHBondContact O-N 3.05Å; K414-I416 PolarHBondContact O-N 3.47Å
415R50.4Low49.8Very low135 Ų135127.6 Ų127.651%0.50964%0.643SS.*  trans-77.5103.2-179.9-63179.2177.2-179.7-6.2109.2E398 T412 D413E398-R415 IonicContact OE2-CZ 3.65Å; E398-R415 IonicContact OE2-NE 2.95Å; E398-R415 IonicContact OE2-NH2 3.27Å; E398-R415 PolarHBondContact OE2-NH2 3.3Å; T412-R415 VanDerWaalsContact O-CB 3.29Å; T412-R415 WeakPolarHBondContact O-CB 3.36Å; T412-R415 PolarHBondContact O-N 3.11Å; D413-R415 VanDerWaalsContact C-N 3.29Å
416I50.2Low48.5Very low153 Ų153130.6 Ų130.679%0.78566%0.659SS**  trans-100.799.4163.9-57.6176.5000106K414K414-I416 PolarHBondContact O-N 3.47Å
417A43Very low47.7Very low81 Ų81125.9 Ų125.967%0.66965%0.652SS**  trans-74.2134.4170.800000109
418C40.4Very low47.2Very low76 Ų76130.2 Ų130.251%0.51467%0.671SS.*  trans-85.4129.8168.7-171.50000108.1E420 E421C418-E420 PolarHBondContact O-N 2.94Å; C418-E421 PolarHBondContact O-N 3.44Å
419D44Very low46.3Very low169 Ų169129.5 Ų129.590%0.90468%0.675SS**THydrogen-bonded Turntrans-63.5-8.6-177.7-70.5-29.4000113.7
420E50.9Low45.7Very low169 Ų169133.5 Ų133.579%0.7969%0.691SS**THydrogen-bonded Turntrans-100.93.7179.3-60.5-162.6171.200114.7C418 F422C418-E420 PolarHBondContact O-N 2.94Å; E420-F422 PolarHBondContact O-N 3.12Å
421E42.4Very low45.1Very low140 Ų140126.8 Ų126.865%0.65469%0.685SS**  trans-78.1111.9173.1-85.9-177.3168.700111.3C418 S423C418-E421 PolarHBondContact O-N 3.44Å; E421-S423 PolarHBondContact O-N 3.26Å; E421-S423 VanDerWaalsContact O-N 3.11Å
422F40.7Very low44.4Very low206 Ų206129.2 Ų129.290%0.90471%0.712SS**  trans-72.6100.2167.9-68.5-81.1000109.5E420E420-F422 PolarHBondContact O-N 3.12Å
423S40.6Very low43.8Very low104 Ų104137.7 Ų137.773%0.72774%0.736SS**  trans-84.3109.1165.1174.10000109E421 S425E421-S423 PolarHBondContact O-N 3.26Å; E421-S423 VanDerWaalsContact O-N 3.11Å; S423-S425 VanDerWaalsContact C-N 3.29Å; S423-S425 PolarHBondContact O-N 3.2Å
424D38.8Very low43.2Very low143 Ų143142.9 Ų142.977%0.76575%0.746SS**  trans-7190162.7-81.6-15.8000107.6E426D424-E426 PolarHBondContact O-N 3.35Å
425S41.7Very low42.7Very low69 Ų69142.9 Ų142.948%0.48375%0.754SS.*  trans-63.4126.9169.259.60000108.7S423 D427S423-S425 VanDerWaalsContact C-N 3.29Å; S423-S425 PolarHBondContact O-N 3.2Å; S425-D427 PolarHBondContact O-N 3.41Å
426E38.2Very low42.3Very low205 Ų205143.3 Ų143.396%0.95877%0.772SS**THydrogen-bonded Turntrans-64.810.9-177.4-58.4-169.1146.200115D424D424-E426 PolarHBondContact O-N 3.35Å
427D40.3Very low41.7Very low149 Ų149139.7 Ų139.780%0.79777%0.765SS**THydrogen-bonded Turntrans-96.59179.9-158.723.2000113.9S425 G429S425-D427 PolarHBondContact O-N 3.41Å; D427-G429 PolarHBondContact O-N 3.02Å
428E44.9Very low41.3Very low152 Ų152143.5 Ų143.571%0.7177%0.774SS**  trans-85.975.2177.5-65.2-132.7166.100112.3
429G40.5Very low41.1Very low59 Ų59148.6 Ų148.661%0.60879%0.79SS**  trans-61.9161.6160.500000112.6D427 G431D427-G429 PolarHBondContact O-N 3.02Å; G429-G431 PolarHBondContact O-N 2.64Å
430Q41.7Very low40.5Very low219 Ų219149.7 Ų149.7100%1.02379%0.787SS**SBendtrans-51.691.2-176.8-66.3179.313.400113.5
431G40.5Very low39.8Very low62 Ų62151.5 Ų151.564%0.63979%0.792SS**SBendtrans-178.9105.5177.400000110.3G429G429-G431 PolarHBondContact O-N 2.64Å
432G41.9Very low39.3Very low72 Ų72148.4 Ų148.474%0.74280%0.797SS**  trans-55.5154.7-167.200000116.8R434G432-R434 PolarHBondContact O-N 3.45Å
433R42.6Very low38.9Very low243 Ų243145.5 Ų145.592%0.91780%0.797SS**  trans-21.8110.1175-68.3177.3175.8172.1-2.9114.3
434R41.7Very low38.5Very low237 Ų237150.3 Ų150.389%0.89480%0.804SS**  trans-111.4119.5163.9-80.9-176.3177.61691.9110.3G432 T436G432-R434 PolarHBondContact O-N 3.45Å; R434-T436 PolarHBondContact O-N 3.35Å
435N40.8Very low38.2Very low158 Ų158155 Ų15585%0.84581%0.811SS**  trans-76.1115.9177.7-158.9-7.8000109.8A437N435-A437 PolarHBondContact O-N 3.49Å
436T42.5Very low37.8Very low143 Ų143157.5 Ų157.588%0.87783%0.826SS**  trans-82.975.7-179.445.40000111.5R434R434-T436 PolarHBondContact O-N 3.35Å
437A36.8Very low37.3Very low77 Ų77155.8 Ų155.864%0.63682%0.815SS**  trans-130.570.416700000110.1N435N435-A437 PolarHBondContact O-N 3.49Å
438N34.8Very low36.8Very low161 Ų161155.5 Ų155.586%0.86182%0.819SS**  trans17694.7152-103-38.8000110.8K440N438-K440 PolarHBondContact O-N 3.3Å
439H35.8Very low36Very low184 Ų184154.5 Ų154.585%0.85281%0.814SS**  trans-90.494.9165.3-153.1-60.7000109.4
440K32.1Very low35.5Very low192 Ų192160 Ų16084%0.83582%0.824SS**PPolyproline II helixtrans-70.9132.5165.1-101.2179.4177.2176.30109.1N438 G442N438-K440 PolarHBondContact O-N 3.3Å; K440-G442 PolarHBondContact O-N 3.43Å
441K36Very low34.8Very low206 Ų206153.4 Ų153.490%0.89681%0.807SS**PPolyproline II helixtrans-59.1121.4177.3-79.3177.8174.2176.30111.3
442G32.6Very low34.1Very low75 Ų75159.5 Ų159.577%0.77382%0.819SS**PPolyproline II helixtrans-80.3140171.800000112.5K440K440-G442 PolarHBondContact O-N 3.43Å
443T31.1Very low33.4Very low145 Ų145165.7 Ų165.789%0.8983%0.828SS**PPolyproline II helixtrans-72.7144.3-168.2-22.50000113.4
444K33.8Very low32.6Very low205 Ų205163 Ų16389%0.89183%0.826SS**PPolyproline II helixtrans-57.7141173.8-72.9179.5173.8-178.70112.7
445R31.1Very low31.9Very low242 Ų242159.5 Ų159.591%0.91382%0.82SS**  trans-112.3150.2156.9-88.6-176.2171.8-177.5-2110.3
446P34.2Very low31.1Very low122 Ų122158 Ų15879%0.79282%0.822SS**  trans-90.9160.2-161.436.3-34.3000114.7
447K28.5Very low30.5Very low168 Ų168159.4 Ų159.473%0.7382%0.818SS**  trans-56147.8173.7-94.3-176.8161.1-160.40113.6E449K447-E449 IonicContact NZ-OE1 2.64Å; K447-E449 PolarHBondContact NZ-OE1 3.06Å
448V29.2Very low30Very low143 Ų143165.2 Ų165.287%0.86783%0.832SS**  trans-132.2120151.2-179.10000107.4
449E29Very low29.7Very low131 Ų131166.9 Ų166.961%0.61283%0.832SS**  trans-86147.3162.6-75.7162.6-174.500106.5K447K447-E449 IonicContact NZ-OE1 2.64Å; K447-E449 PolarHBondContact NZ-OE1 3.06Å
450E29.1Very low29.3Very low176 Ų176167.5 Ų167.582%0.82283%0.832SS**  -176.6142.855.4-124.7163.9-155.700108.1
451A27.6Very low29.2Very low80 Ų80162.3 Ų162.366%0.66183%0.825SS**  97.1105.8115.900000114.3
452E26.2Very low28.8Very low190 Ų190160.3 Ų160.389%0.88882%0.824SS**  93.8114.492.4-82.4-171.8-179.100112.5
453E26.3Very low28.6Very low201 Ų201163.1 Ų163.194%0.93983%0.826SS**  trans-179.8111.6131.4-99.6178.3-170.100108.7
454E25.3Very low28.5Very low186 Ų186166.3 Ų166.387%0.86983%0.827SS**  trans-118.3159.6167.3-109.3-169.9175.400110
455E27.1Very low28.4Very low164 Ų164164.1 Ų164.177%0.76682%0.821SS**  trans93.7116.5158-77.6-176.4174.600121.3
456S25.2Very low28.4Very low126 Ų126159.2 Ų159.288%0.88181%0.808SS**  -140.3114.6125.654.70000109.6
457E28.3Very low28.2Very low173 Ų173160.1 Ų160.181%0.80881%0.806SS**  trans-106.3142.2165.4-85.2-162.4153.700110.4
458E26.7Very low28.3Very low200 Ų200160.4 Ų160.494%0.93581%0.807SS**  trans-115.8110.2162.8-92-166.815100112
459K28.8Very low28.4Very low195 Ų195159.8 Ų159.885%0.84880%0.804SS**  trans-2.3139.4152.8-59.9175.8178174.70121.5
460K28.1Very low28.4Very low198 Ų198163.2 Ų163.286%0.86182%0.817SS**  171.5124102.3-96.3-176.81791790112
461A28.7Very low28.4Very low82 Ų82161.7 Ų161.768%0.67881%0.814SS**  72.4132106.400000114.4
462D28.6Very low28.5Very low164 Ų164163.3 Ų163.388%0.87782%0.821SS**  cis-156153.931.7-95.3-43.2000111.3
463V28.2Very low28.5Very low135 Ų135157.3 Ų157.382%0.81881%0.81SS**  trans-115.5136.8167.7170.80000109
464K29.6Very low28.6Very low211 Ų211153.3 Ų153.392%0.91780%0.804SS**  trans-98113.4164-88.7-178.7172.9178.40110
465E30.6Very low28.9Very low160 Ų160151.7 Ų151.775%0.74880%0.797SS**  trans-66.4162.1150.6-87.1179.7157.400109.5
466E30.9Very low29Very low138 Ų138152.1 Ų152.165%0.64580%0.796SS**  cis-165.4165.512-116.6169.9167.300103.3
467D30.2Very low29.3Very low141 Ų141151 Ų15175%0.75480%0.795SS**  -175.4164.256.3-157.7-3.7000110.3
468K31.2Very low29.4Very low175 Ų175151.7 Ų151.776%0.76180%0.798SS**  trans-80.4158.3-163.3-74.5163.3175.9151.20116.3
469T30.1Very low29.7Very low130 Ų130148 Ų14880%0.79879%0.794SS**  trans-55155160.135.10000116.2
470K30.5Very low29.9Very low203 Ų203148.4 Ų148.488%0.88380%0.796SS**  trans171.4153.4137.2-96.7178.2-179.8-176.70107.6
471D28.7Very low30Very low143 Ų143142.2 Ų142.277%0.76579%0.789SS**  cis179.6169.5-18.8-171.69.3000105
472S28.6Very low30.2Very low114 Ų114144.4 Ų144.480%0.79779%0.794SS**  trans81.2137.6174.478.80000116.2
473G26.3Very low30.4Very low64 Ų64142.4 Ų142.466%0.6679%0.787SS**  cis135.4126.37.500000110.7
474S28.6Very low30.6Very low117 Ų117145.2 Ų145.282%0.81879%0.788SS**  trans91.6115.4155.471.30000122.3
475E31.5Very low30.7Very low152 Ų152142.1 Ų142.171%0.7178%0.782SS**  80123125.8-69.7-158.8138.500125.2
476K30.8Very low30.9Very low173 Ų173142.8 Ų142.875%0.75279%0.785SS**  trans60.9125.6133.8-70.5173.3176.3140.80121.1
477A30.1Very low31.3Very low104 Ų104144.5 Ų144.586%0.8679%0.793SS**  163.615796.700000112.5
478E31.7Very low31.6Very low187 Ų187144.8 Ų144.887%0.87479%0.794SS**  trans-66.1158.6-174.9-56.4166.3121.600115.4
479S32.1Very low32.1Very low122 Ų122140.6 Ų140.685%0.85379%0.787SS**  trans-159.6135.6130.773.30000112.6
480K32.3Very low32.8Very low203 Ų203139.7 Ų139.788%0.88379%0.786SS**  trans-83.4160.4175.1-74.6171.3169.7170.70112.5
481G30.4Very low33.7Very low69 Ų69140.2 Ų140.271%0.71181%0.807SS**  trans98.6149.6144.700000115.4
482T32.5Very low33.9Very low128 Ų128140.1 Ų140.179%0.78581%0.809SS**  cis-172.1132.512.5-32.20000108.1
483V33.2Very low34.2Very low121 Ų121141.5 Ų141.573%0.73381%0.809SS**  trans52.1123.6130-173.20000121.4
484K33.8Very low34.7Very low195 Ų195145.8 Ų145.885%0.84882%0.818SS**  169.3121.4112.3-87.6-170-180175.30109.7
485N30.7Very low35Very low145 Ų145147.5 Ų147.578%0.77582%0.818SS**  8413868.3-131.129.8000115
486E35.8Very low35.2Very low175 Ų175147.2 Ų147.282%0.81882%0.824SS**  trans114.6100.1164.8-68178.8179.500113.9
487Q38.3Very low35.5Very low173 Ų173145.5 Ų145.581%0.80883%0.829SS**  55106.366.8-83.4-170.9-17.500115.8
488N37.7Very low35.9Very low147 Ų147148.4 Ų148.479%0.78683%0.827SS**  176.5114.7125.1-96.3-24000107.9
489S39.8Very low36.3Very low87 Ų87145.5 Ų145.561%0.60882%0.823SS**  83.5132.664.476.30000114.4
490S44.8Very low36.6Very low111 Ų111147.4 Ų147.478%0.77682%0.821SS**  trans69.6129.2163.523.20000116.7
491T50.1Low37Very low215 Ų215142.4 Ų142.4100%1.31982%0.815SS**  cis-154.6040.3-23.60000110.9

Retrieved 491 of 491 residues in 186.5 ms (Link to these results)

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