A0A077ZJQ1_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJQ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 330 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
1M33.8Very low71.7Confident216 Ų216104.4 Ų104.4100%1.06455%0.547SS*.  0149.20-60.5-149.9-63.200107.6E3M1-E3 PolarHBondContact O-N 3.2Å; M1-E3 VanDerWaalsContact O-N 3.17Å
2P52.7Low73.5Confident121 Ų12198.6 Ų98.679%0.78652%0.522SS*.PPolyproline II helixtrans-54.2125.4164.9-7.520.8000106.3E4P2-E4 PolarHBondContact O-N 3.2Å
3E57.4Low75.1Confident127 Ų12793.8 Ų93.859%0.59350%0.499SS*.PPolyproline II helixtrans-57.6118.7174.1-78.1-178.116300107.2M1 L5 L51 S53M1-E3 PolarHBondContact O-N 3.2Å; M1-E3 VanDerWaalsContact O-N 3.17Å; E3-L5 PolarHBondContact O-N 3Å; E3-L51 HydrophobicContact CB-CD1 3.51Å; E3-S53 WeakPolarHBondContact OE2-CB 3.24Å; E3-S53 PolarHBondContact OE2-OG 2.75Å
4E65Low76.4Confident172 Ų17287.6 Ų87.680%0.80447%0.465SS*.PPolyproline II helixtrans-62.2137.6179.2-75.2-174.116100109.1P2P2-E4 PolarHBondContact O-N 3.2Å
5L69.2Low77.6Confident44 Ų4492.1 Ų92.123%0.2347%0.473CS..PPolyproline II helixtrans-60.6140.2176.8-78.2169.4000109.3E3 N7 E26 L51E3-L5 PolarHBondContact O-N 3Å; L5-N7 PolarHBondContact O-N 3.17Å; L5-N7 VanDerWaalsContact O-N 3.08Å; L5-E26 HydrophobicContact CD1-CG 3.66Å; L5-L51 HydrophobicContact CD2-CG 4.41Å
6P69.1Low78.5Confident14 Ų1494.5 Ų94.59%0.09149%0.488CS..PPolyproline II helixtrans-59.6119.7-178.5-19.230.1000109.9L8 Y33 L51 V87P6-L8 PolarHBondContact O-N 2.68Å; P6-Y33 PolarHBondContact O-OH 3.13Å; P6-L51 HydrophobicContact CG-CD2 3.74Å; P6-L51 HydrophobicContact CG-CG 4.36Å; P6-V87 HydrophobicContact CB-CB 4.38Å; P6-V87 HydrophobicContact CB-CG1 4.18Å; P6-V87 HydrophobicContact CB-CG2 3.4Å; P6-V87 HydrophobicContact CG-CB 4.24Å; P6-V87 HydrophobicContact CG-CG1 4.1Å; P6-V87 HydrophobicContact CG-CG2 3.55Å
7N83.4Confident79.4Confident103 Ų10392.5 Ų92.555%0.55147%0.472SS*.  trans-95.685.7174.9-166.538.4000109.8L5 L9 K23L5-N7 PolarHBondContact O-N 3.17Å; L5-N7 VanDerWaalsContact O-N 3.08Å; N7-L9 PolarHBondContact O-N 3.47Å; N7-K23 PolarHBondContact OD1-NZ 2.95Å
8L89Confident80.3Confident23 Ų2387.6 Ų87.612%0.1245%0.447CS..PPolyproline II helixtrans-65123.5175.5-57.8179.8000110P6 M14 V20 Y33 M47 T49 V87P6-L8 PolarHBondContact O-N 2.68Å; L8-M14 HydrophobicContact CD1-CE 4.34Å; L8-M14 HydrophobicContact CD1-CG 4.24Å; L8-M14 HydrophobicContact CD1-SD 4.05Å; L8-M14 HydrophobicContact CD2-CE 4.34Å; L8-M14 HydrophobicContact CD2-SD 3.86Å; L8-V20 HydrophobicContact CB-CG1 4.46Å; L8-V20 HydrophobicContact CB-CG2 4.06Å; L8-V20 HydrophobicContact CD1-CG2 4.11Å; L8-Y33 HydrophobicContact CB-CD1 4.48Å; L8-Y33 HydrophobicContact CB-CE1 3.96Å; L8-Y33 HydrophobicContact CB-CE2 4.4Å; L8-Y33 HydrophobicContact CD1-CD2 4.42Å; L8-Y33 HydrophobicContact CD1-CE2 4.24Å; L8-Y33 HydrophobicContact CG-CE2 4.39Å; L8-Y33 PolarHBondContact N-OH 3.04Å; L8-Y33 WeakPolarHBondContact O-CE1 3.25Å; L8-M47 HydrophobicContact CD1-SD 4.01Å; L8-T49 HydrophobicContact CD1-CG2 3.96Å; L8-V87 HydrophobicContact CD2-CG2 4.44Å
9L88.9Confident81.1Confident115 Ų11584.7 Ų84.760%0.60243%0.431SS*.PPolyproline II helixtrans-77.7149.1179.5-62.7177.2000110.8N7 S12N7-L9 PolarHBondContact O-N 3.47Å; L9-S12 VanDerWaalsContact O-CB 3.23Å; L9-S12 WeakPolarHBondContact O-CB 3.46Å; L9-S12 PolarHBondContact O-N 3.36Å; L9-S12 VanDerWaalsContact O-N 3.09Å; L9-S12 PolarHBondContact O-OG 2.96Å
10P90.2Very high81.9Confident81 Ų8180.5 Ų80.553%0.52641%0.41SS..THydrogen-bonded Turntrans-49.9145.4166.5-2635.4000111.4S12 V20P10-S12 PolarHBondContact O-N 3.09Å; P10-V20 CarbonylContact C-O 3.51Å; P10-V20 WeakPolarHBondContact CA-O 3.42Å
11M90.4Very high82.5Confident132 Ų13278.1 Ų78.165%0.6540%0.4SS*.THydrogen-bonded Turntrans69.3-5.9-174-49.8-62.1-59.300115.8E19 V20M11-E19 VanDerWaalsContact CE-OE1 3.32Å; M11-E19 WeakPolarHBondContact CE-OE1 3.46Å; M11-E19 VanDerWaalsContact SD-OE1 3.4Å; M11-V20 PolarHBondContact N-O 3.41Å
12S93.2Very high85.3Confident35 Ų3571.7 Ų71.725%0.24537%0.367CS..  trans-64.1141.717064.40000110.3L9 P10 E19 V20L9-S12 VanDerWaalsContact O-CB 3.23Å; L9-S12 WeakPolarHBondContact O-CB 3.46Å; L9-S12 PolarHBondContact O-N 3.36Å; L9-S12 VanDerWaalsContact O-N 3.09Å; L9-S12 PolarHBondContact O-OG 2.96Å; P10-S12 PolarHBondContact O-N 3.09Å; S12-E19 CarbonylContact O-C 3.56Å; S12-E19 WeakPolarHBondContact O-CA 3.49Å; S12-V20 PolarHBondContact O-N 2.91Å; S12-V20 WeakPolarHBondContact OG-CG2 3.36Å
13V93.9Very high87.2Confident37 Ų3769.3 Ų69.322%0.22434%0.344CS..EExtended strand (participates in β ladder)trans-117.4119.8-177.3-172.20000109.6D16 W18 E19V13-D16 VanDerWaalsContact CG1-C 3.45Å; V13-W18 WeakPolarHBondContact CA-O 3.45Å; V13-E19 HydrophobicContact CG2-CB 4.32Å; V13-E19 HydrophobicContact CG2-CG 4.33Å
14M94.1Very high88.8Confident6 Ų664.3 Ų64.33%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-88.7124.7175.2-55.7-64.9-76.300109.8L8 D16 R17 W18 M47 Q84 V87 Y89L8-M14 HydrophobicContact CD1-CE 4.34Å; L8-M14 HydrophobicContact CD1-CG 4.24Å; L8-M14 HydrophobicContact CD1-SD 4.05Å; L8-M14 HydrophobicContact CD2-CE 4.34Å; L8-M14 HydrophobicContact CD2-SD 3.86Å; M14-D16 VanDerWaalsContact C-N 3.26Å; M14-D16 PolarHBondContact O-N 3.47Å; M14-R17 PolarHBondContact O-N 3.25Å; M14-R17 VanDerWaalsContact O-N 3.1Å; M14-W18 HydrophobicContact CB-CB 4.27Å; M14-W18 PolarHBondContact N-O 3.21Å; M14-W18 PolarHBondContact O-N 3.25Å; M14-M47 HydrophobicContact CB-CE 4Å; M14-M47 HydrophobicContact CG-CE 3.87Å; M14-M47 HydrophobicContact CG-SD 4.11Å; M14-Q84 HydrophobicContact CE-CB 3.87Å; M14-Q84 HydrophobicContact CE-CG 4.4Å; M14-V87 HydrophobicContact CE-CB 4.08Å; M14-V87 HydrophobicContact CE-CG1 4.16Å; M14-Y89 HydrophobicContact CB-CE1 3.96Å; M14-Y89 HydrophobicContact CE-CD1 3.64Å; M14-Y89 HydrophobicContact CE-CE1 3.85Å
15R93.1Very high89.8Confident155 Ų15556.9 Ų56.959%0.58529%0.291SS*.THydrogen-bonded Turntrans4447.2-175.7-64-13996.9-142.58.5113.6R17 Y89R15-R17 PolarHBondContact O-N 3.02Å; R15-Y89 WeakPolarHBondContact CG-OH 3.46Å
16D92Very high90.6Very high131 Ų13158.4 Ų58.470%0.70130%0.297SS*.THydrogen-bonded Turntrans55.612.9178.6-57-52.3000115.2V13 M14V13-D16 VanDerWaalsContact CG1-C 3.45Å; M14-D16 VanDerWaalsContact C-N 3.26Å; M14-D16 PolarHBondContact O-N 3.47Å
17R94.5Very high91Very high60 Ų6057.9 Ų57.923%0.22629%0.294CS..THydrogen-bonded Turntrans-125.1-52-172.7-179.4176.8-177.4-170-5.3113.1M14 R15 E19 D37 R38 L39 N40M14-R17 PolarHBondContact O-N 3.25Å; M14-R17 VanDerWaalsContact O-N 3.1Å; R15-R17 PolarHBondContact O-N 3.02Å; R17-E19 PolarHBondContact O-N 3.36Å; R17-D37 VanDerWaalsContact CG-OD1 3.28Å; R17-D37 WeakPolarHBondContact CG-OD1 3.44Å; R17-D37 IonicContact CZ-OD2 3.36Å; R17-D37 IonicContact NE-OD1 3.1Å; R17-D37 PolarHBondContact NE-OD1 3.25Å; R17-D37 VanDerWaalsContact NE-OD1 3.1Å; R17-D37 IonicContact NE-OD2 3.13Å; R17-D37 PolarHBondContact NE-OD2 2.93Å; R17-D37 VanDerWaalsContact NE-OD2 3.13Å; R17-D37 IonicContact NH2-OD2 2.74Å; R17-D37 PolarHBondContact NH2-OD2 3.34Å; R17-R38 WeakPolarHBondContact O-CB 3.45Å; R17-R38 WeakPolarHBondContact O-CG 3.46Å; R17-R38 PolarHBondContact O-N 3.28Å; R17-L39 HydrophobicContact CB-CD1 4.18Å; R17-L39 HydrophobicContact CB-CG 4.36Å; R17-L39 HydrophobicContact CG-CD1 3.87Å; R17-L39 HydrophobicContact CG-CG 3.96Å; R17-N40 PolarHBondContact NH2-ND2 3.49Å
18W95.8Very high90.4Very high4 Ų455.1 Ų55.12%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-97.9100.5-169.7-59.3108.6000110.6V13 M14 V35 R36 D37 M47 Y79 D80 Y89 V91V13-W18 WeakPolarHBondContact CA-O 3.45Å; M14-W18 HydrophobicContact CB-CB 4.27Å; M14-W18 PolarHBondContact N-O 3.21Å; M14-W18 PolarHBondContact O-N 3.25Å; W18-V35 HydrophobicContact CE3-CG2 3.94Å; W18-R36 WeakPolarHBondContact CA-O 3.45Å; W18-D37 HydrophobicContact CE3-CB 3.99Å; W18-D37 HydrophobicContact CH2-CB 3.96Å; W18-D37 HydrophobicContact CZ3-CB 3.45Å; W18-D37 VanDerWaalsContact CZ3-CB 3.45Å; W18-M47 HydrophobicContact CB-CE 3.47Å; W18-M47 VanDerWaalsContact CB-CE 3.47Å; W18-M47 HydrophobicContact CG-CE 4.01Å; W18-Y79 HydrophobicContact CH2-CD2 4.15Å; W18-Y79 HydrophobicContact CH2-CG 4.29Å; W18-D80 HydrophobicContact CZ2-CB 3.81Å; W18-D80 PolarHBondContact NE1-OD2 2.77Å; W18-Y89 AromaticContact CD1-CE2 3.9Å; W18-V91 HydrophobicContact CD2-CB 4.36Å; W18-V91 HydrophobicContact CD2-CG1 3.99Å; W18-V91 HydrophobicContact CD2-CG2 3.91Å; W18-V91 HydrophobicContact CE3-CG1 3.78Å; W18-V91 HydrophobicContact CG-CG2 4.01Å; W18-V91 HydrophobicContact CH2-CB 4.43Å; W18-V91 HydrophobicContact CH2-CG1 3.84Å; W18-V91 HydrophobicContact CZ2-CB 4.16Å; W18-V91 HydrophobicContact CZ2-CG1 4.05Å; W18-V91 HydrophobicContact CZ2-CG2 4.39Å; W18-V91 HydrophobicContact CZ3-CG1 3.68Å
19E95.8Very high89.6Confident33 Ų3357.7 Ų57.715%0.15430%0.301CS..EExtended strand (participates in β ladder)trans-81.1125.6176.8-173.9-175.3141.100110.4M11 S12 V13 R17 V21 V35 R36 R38M11-E19 VanDerWaalsContact CE-OE1 3.32Å; M11-E19 WeakPolarHBondContact CE-OE1 3.46Å; M11-E19 VanDerWaalsContact SD-OE1 3.4Å; S12-E19 CarbonylContact O-C 3.56Å; S12-E19 WeakPolarHBondContact O-CA 3.49Å; V13-E19 HydrophobicContact CG2-CB 4.32Å; V13-E19 HydrophobicContact CG2-CG 4.33Å; R17-E19 PolarHBondContact O-N 3.36Å; E19-V21 PolarHBondContact O-N 3.27Å; E19-V35 CarbonylContact O-C 3.56Å; E19-V35 WeakPolarHBondContact O-CA 3.4Å; E19-V35 WeakPolarHBondContact O-CB 3.39Å; E19-R36 PolarHBondContact N-O 3.35Å; E19-R36 PolarHBondContact O-N 3.12Å; E19-R38 HydrophobicContact CB-CG 4.09Å
20V95.8Very high89.4Confident0 Ų052.5 Ų52.50%027%0.274CS..EExtended strand (participates in β ladder)trans-74.8120.5177.3177.60000109.9L8 P10 M11 S12 Y33 V35L8-V20 HydrophobicContact CB-CG1 4.46Å; L8-V20 HydrophobicContact CB-CG2 4.06Å; L8-V20 HydrophobicContact CD1-CG2 4.11Å; P10-V20 CarbonylContact C-O 3.51Å; P10-V20 WeakPolarHBondContact CA-O 3.42Å; M11-V20 PolarHBondContact N-O 3.41Å; S12-V20 PolarHBondContact O-N 2.91Å; S12-V20 WeakPolarHBondContact OG-CG2 3.36Å; V20-Y33 HydrophobicContact CG1-CD1 3.72Å; V20-Y33 HydrophobicContact CG1-CE1 4.45Å; V20-Y33 HydrophobicContact CG1-CG 4.29Å; V20-V35 HydrophobicContact CG2-CG1 4.34Å
21V94.4Very high89.4Confident32 Ų3248.6 Ų48.619%0.19425%0.249CC..EExtended strand (participates in β ladder)trans-88.2-57.2177.5-1790000110E19 T34 R36E19-V21 PolarHBondContact O-N 3.27Å; V21-T34 HydrophobicContact CB-CG2 4.46Å; V21-T34 WeakPolarHBondContact CB-O 3.26Å; V21-T34 PolarHBondContact N-O 3.11Å; V21-R36 HydrophobicContact CG2-CB 4.48Å; V21-R36 HydrophobicContact CG2-CG 3.71Å
22Q93.4Very high89.6Confident80 Ų8042.8 Ų42.837%0.37422%0.221SC..EExtended strand (participates in β ladder)trans-157.2154.3-179.164.7179.28.200111.4L24 Y33 T34Q22-L24 HydrophobicContact CG-CD2 4.43Å; Q22-Y33 CarbonylContact O-C 3.59Å; Q22-Y33 VanDerWaalsContact O-CA 3.25Å; Q22-Y33 WeakPolarHBondContact O-CA 3.39Å; Q22-T34 PolarHBondContact O-N 3.35Å
23K93.2Very high89.7Confident72 Ų7241.1 Ų41.131%0.31321%0.21SC..EExtended strand (participates in β ladder)trans-78.7123169-168.2171.2-175.4174.30109N7 E26 S31 Y33N7-K23 PolarHBondContact OD1-NZ 2.95Å; K23-E26 IonicContact NZ-OE2 2.67Å; K23-E26 PolarHBondContact NZ-OE2 3.29Å; K23-S31 WeakPolarHBondContact CE-OG 3.44Å; K23-S31 PolarHBondContact NZ-OG 3.38Å; K23-Y33 HydrophobicContact CB-CD1 3.76Å; K23-Y33 HydrophobicContact CB-CE1 3.61Å; K23-Y33 HydrophobicContact CD-CE1 3.92Å; K23-Y33 HydrophobicContact CG-CD1 4.02Å; K23-Y33 HydrophobicContact CG-CE1 3.61Å
24L90.7Very high89.8Confident21 Ų2139.5 Ų39.511%0.1120%0.199CC..EExtended strand (participates in β ladder)trans-80.6-42.8174.5-69179.2000110Q22 V32 T34 L94 N313 Y315Q22-L24 HydrophobicContact CG-CD2 4.43Å; L24-V32 HydrophobicContact CB-CB 4.44Å; L24-V32 HydrophobicContact CB-CG1 4.49Å; L24-V32 WeakPolarHBondContact CB-O 3.3Å; L24-V32 HydrophobicContact CD1-CG1 4.21Å; L24-V32 PolarHBondContact N-O 3.09Å; L24-T34 WeakPolarHBondContact CD2-OG1 3.36Å; L24-T34 WeakPolarHBondContact CG-OG1 3.24Å; L24-L94 HydrophobicContact CD1-CD1 4.03Å; L24-N313 VanDerWaalsContact C-ND2 3.32Å; L24-N313 WeakPolarHBondContact CB-OD1 3.18Å; L24-N313 HydrophobicContact CD2-CB 4.27Å; L24-N313 PolarHBondContact O-ND2 3.23Å; L24-Y315 HydrophobicContact CD1-CD2 3.61Å; L24-Y315 HydrophobicContact CD1-CE2 3.79Å
25G86.9Confident89.9Confident17 Ų1739.2 Ų39.218%0.17520%0.198CC..EExtended strand (participates in β ladder)trans178.6179.1172.300000113S31 V32G25-S31 CarbonylContact O-C 3.53Å; G25-S31 WeakPolarHBondContact O-CA 3.19Å; G25-V32 PolarHBondContact N-O 3.12Å; G25-V32 PolarHBondContact O-N 3.2Å
26E85Confident90Very high76 Ų7637 Ų3736%0.35519%0.19SC..EExtended strand (participates in β ladder)trans-128.7121.7178.9-175.8176.4126.200109.1L5 K23 S31 I319 K323L5-E26 HydrophobicContact CD1-CG 3.66Å; K23-E26 IonicContact NZ-OE2 2.67Å; K23-E26 PolarHBondContact NZ-OE2 3.29Å; E26-S31 WeakPolarHBondContact CG-OG 3.2Å; E26-I319 WeakPolarHBondContact O-CG2 3.42Å; E26-K323 WeakPolarHBondContact O-CE 3.4Å; E26-K323 PolarHBondContact O-NZ 2.94Å
27G76.8Confident90.1Very high3 Ų331.4 Ų31.43%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-103.6-178.3174.200000110.9F29 G30G27-F29 VanDerWaalsContact C-N 3.26Å; G27-F29 PolarHBondContact O-N 3.26Å; G27-G30 PolarHBondContact N-O 2.83Å; G27-G30 PolarHBondContact O-N 2.92Å
28G71.6Confident90Very high45 Ų4535.5 Ų35.546%0.46418%0.175SC..THydrogen-bonded Turntrans-77.3-7.8-177.700000115.3I326G28-I326 VanDerWaalsContact C-CD1 3.41Å
29F72.8Confident89.7Confident77 Ų7741.3 Ų41.334%0.33821%0.206SC..THydrogen-bonded Turntrans-105.9-6.4174.5-62.8-68.1000113.6G27 V58 I326G27-F29 VanDerWaalsContact C-N 3.26Å; G27-F29 PolarHBondContact O-N 3.26Å; F29-V58 HydrophobicContact CD1-CG2 4.33Å; F29-I326 HydrophobicContact CD1-CD1 4.19Å; F29-I326 HydrophobicContact CD2-CD1 3.74Å; F29-I326 HydrophobicContact CD2-CG1 4.3Å; F29-I326 HydrophobicContact CE1-CD1 3.99Å; F29-I326 HydrophobicContact CE1-CG1 4.05Å; F29-I326 HydrophobicContact CE2-CD1 3.52Å; F29-I326 HydrophobicContact CE2-CG1 3.55Å; F29-I326 HydrophobicContact CG-CD1 4.07Å; F29-I326 HydrophobicContact CZ-CD1 3.65Å; F29-I326 HydrophobicContact CZ-CG1 3.41Å; F29-I326 VanDerWaalsContact CZ-CG1 3.41Å
30G83.8Confident89.2Confident5 Ų542.8 Ų42.85%0.05222%0.215CC..EExtended strand (participates in β ladder)trans161.2-178.5-166.600000115.3G27 T49G27-G30 PolarHBondContact N-O 2.83Å; G27-G30 PolarHBondContact O-N 2.92Å; G30-T49 CarbonylContact C-O 3.57Å; G30-T49 WeakPolarHBondContact CA-O 3.22Å
31S91Very high88.2Confident0 Ų052.7 Ų52.70%026%0.261CS..EExtended strand (participates in β ladder)trans-112.8156173.5-69.70000111.2K23 G25 E26 K48 T49K23-S31 WeakPolarHBondContact CE-OG 3.44Å; K23-S31 PolarHBondContact NZ-OG 3.38Å; G25-S31 CarbonylContact O-C 3.53Å; G25-S31 WeakPolarHBondContact O-CA 3.19Å; E26-S31 WeakPolarHBondContact CG-OG 3.2Å; S31-K48 CarbonylContact O-C 3.59Å; S31-K48 WeakPolarHBondContact O-CA 3.27Å; S31-T49 PolarHBondContact N-O 3.43Å; S31-T49 PolarHBondContact O-N 3.5Å; S31-T49 PolarHBondContact O-OG1 2.89Å
32V93.8Very high87.2Confident10 Ų1057.1 Ų57.16%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-121.6134.5173.5-170.40000108.7L24 G25 M47 K48 Y315 I319L24-V32 HydrophobicContact CB-CB 4.44Å; L24-V32 HydrophobicContact CB-CG1 4.49Å; L24-V32 WeakPolarHBondContact CB-O 3.3Å; L24-V32 HydrophobicContact CD1-CG1 4.21Å; L24-V32 PolarHBondContact N-O 3.09Å; G25-V32 PolarHBondContact N-O 3.12Å; G25-V32 PolarHBondContact O-N 3.2Å; V32-M47 CarbonylContact C-O 3.57Å; V32-M47 WeakPolarHBondContact CA-O 3.39Å; V32-K48 HydrophobicContact CG2-CG 4.25Å; V32-Y315 HydrophobicContact CG1-CD2 3.84Å; V32-Y315 HydrophobicContact CG1-CE2 4.09Å; V32-I319 HydrophobicContact CB-CD1 4.15Å; V32-I319 HydrophobicContact CG2-CD1 4.02Å; V32-I319 HydrophobicContact CG2-CG1 4.42Å
33Y95.3Very high86.6Confident0 Ų057.1 Ų57.10%029%0.285CS..EExtended strand (participates in β ladder)trans-127.3150.9-179-58.7-95.2000110.5P6 L8 V20 Q22 K23 A46 M47 T49P6-Y33 PolarHBondContact O-OH 3.13Å; L8-Y33 HydrophobicContact CB-CD1 4.48Å; L8-Y33 HydrophobicContact CB-CE1 3.96Å; L8-Y33 HydrophobicContact CB-CE2 4.4Å; L8-Y33 HydrophobicContact CD1-CD2 4.42Å; L8-Y33 HydrophobicContact CD1-CE2 4.24Å; L8-Y33 HydrophobicContact CG-CE2 4.39Å; L8-Y33 PolarHBondContact N-OH 3.04Å; L8-Y33 WeakPolarHBondContact O-CE1 3.25Å; V20-Y33 HydrophobicContact CG1-CD1 3.72Å; V20-Y33 HydrophobicContact CG1-CE1 4.45Å; V20-Y33 HydrophobicContact CG1-CG 4.29Å; Q22-Y33 CarbonylContact O-C 3.59Å; Q22-Y33 VanDerWaalsContact O-CA 3.25Å; Q22-Y33 WeakPolarHBondContact O-CA 3.39Å; K23-Y33 HydrophobicContact CB-CD1 3.76Å; K23-Y33 HydrophobicContact CB-CE1 3.61Å; K23-Y33 HydrophobicContact CD-CE1 3.92Å; K23-Y33 HydrophobicContact CG-CD1 4.02Å; K23-Y33 HydrophobicContact CG-CE1 3.61Å; Y33-A46 CarbonylContact O-C 3.55Å; Y33-A46 WeakPolarHBondContact O-CA 3.28Å; Y33-M47 PolarHBondContact N-O 3.4Å; Y33-M47 PolarHBondContact O-N 2.91Å; Y33-T49 HydrophobicContact CD2-CG2 3.9Å; Y33-T49 HydrophobicContact CE2-CG2 3.83Å
34T95.4Very high86.5Confident2 Ų256.1 Ų56.11%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-82.6136.6160.3-45.70000108.7V21 Q22 L24 E44 G45 L94V21-T34 HydrophobicContact CB-CG2 4.46Å; V21-T34 WeakPolarHBondContact CB-O 3.26Å; V21-T34 PolarHBondContact N-O 3.11Å; Q22-T34 PolarHBondContact O-N 3.35Å; L24-T34 WeakPolarHBondContact CD2-OG1 3.36Å; L24-T34 WeakPolarHBondContact CG-OG1 3.24Å; T34-E44 HydrophobicContact CG2-CB 3.63Å; T34-E44 HydrophobicContact CG2-CG 4.04Å; T34-E44 WeakPolarHBondContact CG2-OE2 3.37Å; T34-G45 CarbonylContact C-O 3.14Å; T34-G45 WeakPolarHBondContact CA-O 3.34Å; T34-L94 HydrophobicContact CG2-CD2 3.67Å
35V96.2Very high86.7Confident0 Ų055.2 Ų55.20%028%0.277CS..EExtended strand (participates in β ladder)trans-134.1154.8-179.4-61.10000112.3W18 E19 V20 E44 G45 M47 V91W18-V35 HydrophobicContact CE3-CG2 3.94Å; E19-V35 CarbonylContact O-C 3.56Å; E19-V35 WeakPolarHBondContact O-CA 3.4Å; E19-V35 WeakPolarHBondContact O-CB 3.39Å; V20-V35 HydrophobicContact CG2-CG1 4.34Å; V35-E44 CarbonylContact O-C 3.58Å; V35-E44 WeakPolarHBondContact O-CA 3.34Å; V35-G45 PolarHBondContact N-O 3.23Å; V35-G45 PolarHBondContact O-N 3.17Å; V35-M47 HydrophobicContact CB-CB 4.44Å; V35-M47 HydrophobicContact CG1-CB 3.48Å; V35-M47 VanDerWaalsContact CG1-CB 3.48Å; V35-M47 HydrophobicContact CG1-CE 3.9Å; V35-M47 HydrophobicContact CG1-CG 4.39Å; V35-M47 HydrophobicContact CG1-SD 4.12Å; V35-M47 HydrophobicContact CG2-CB 4.04Å; V35-V91 HydrophobicContact CG2-CG1 3.72Å
36R95.3Very high87.2Confident109 Ų10954.4 Ų54.441%0.41127%0.268SS..EExtended strand (participates in β ladder)trans-111139.7170.4-71.4173.1-166.6142.25.1110.3W18 E19 V21 E44W18-R36 WeakPolarHBondContact CA-O 3.45Å; E19-R36 PolarHBondContact N-O 3.35Å; E19-R36 PolarHBondContact O-N 3.12Å; V21-R36 HydrophobicContact CG2-CB 4.48Å; V21-R36 HydrophobicContact CG2-CG 3.71Å; R36-E44 HydrophobicContact CG-CG 3.94Å; R36-E44 IonicContact CZ-OE1 3.48Å; R36-E44 IonicContact NE-OE1 3.2Å; R36-E44 PolarHBondContact NE-OE1 2.9Å; R36-E44 IonicContact NH2-OE1 2.89Å; R36-E44 PolarHBondContact NH2-OE1 3.4Å
37D94.7Very high87.7Confident13 Ų1350.8 Ų50.87%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-81114.4169.6-168-18.9000108.4R17 W18 L39 N40R17-D37 VanDerWaalsContact CG-OD1 3.28Å; R17-D37 WeakPolarHBondContact CG-OD1 3.44Å; R17-D37 IonicContact CZ-OD2 3.36Å; R17-D37 IonicContact NE-OD1 3.1Å; R17-D37 PolarHBondContact NE-OD1 3.25Å; R17-D37 VanDerWaalsContact NE-OD1 3.1Å; R17-D37 IonicContact NE-OD2 3.13Å; R17-D37 PolarHBondContact NE-OD2 2.93Å; R17-D37 VanDerWaalsContact NE-OD2 3.13Å; R17-D37 IonicContact NH2-OD2 2.74Å; R17-D37 PolarHBondContact NH2-OD2 3.34Å; W18-D37 HydrophobicContact CE3-CB 3.99Å; W18-D37 HydrophobicContact CH2-CB 3.96Å; W18-D37 HydrophobicContact CZ3-CB 3.45Å; W18-D37 VanDerWaalsContact CZ3-CB 3.45Å; D37-L39 VanDerWaalsContact C-N 3.27Å; D37-L39 PolarHBondContact O-N 3.38Å; D37-L39 WeakPolarHBondContact OD1-CB 3.44Å; D37-L39 PolarHBondContact OD1-N 2.87Å; D37-N40 WeakPolarHBondContact CB-O 3.43Å; D37-N40 PolarHBondContact OD1-N 2.98Å; D37-N40 PolarHBondContact OD2-ND2 3.47Å
38R92.7Very high88.5Confident147 Ų14751.3 Ų51.356%0.55525%0.253SS*.SBendtrans-74.2-19.3177.9-68.2-177.966.7-155.60.6112.9R17 E19R17-R38 WeakPolarHBondContact O-CB 3.45Å; R17-R38 WeakPolarHBondContact O-CG 3.46Å; R17-R38 PolarHBondContact O-N 3.28Å; E19-R38 HydrophobicContact CB-CG 4.09Å
39L89.5Confident89.6Confident125 Ų12549.2 Ų49.265%0.65423%0.231SC*.SBendtrans-92.1-33.2-177-60.1-178.3000112R17 D37R17-L39 HydrophobicContact CB-CD1 4.18Å; R17-L39 HydrophobicContact CB-CG 4.36Å; R17-L39 HydrophobicContact CG-CD1 3.87Å; R17-L39 HydrophobicContact CG-CG 3.96Å; D37-L39 VanDerWaalsContact C-N 3.27Å; D37-L39 PolarHBondContact O-N 3.38Å; D37-L39 WeakPolarHBondContact OD1-CB 3.44Å; D37-L39 PolarHBondContact OD1-N 2.87Å
40N85.1Confident90.5Very high64 Ų6445.9 Ų45.934%0.34222%0.217SC..SBendtrans-122.2128.8179.2-53.8-71.6000109.1R17 D37 F42R17-N40 PolarHBondContact NH2-ND2 3.49Å; D37-N40 WeakPolarHBondContact CB-O 3.43Å; D37-N40 PolarHBondContact OD1-N 2.98Å; D37-N40 PolarHBondContact OD2-ND2 3.47Å; N40-F42 HydrophobicContact CB-CD2 3.2Å; N40-F42 HydrophobicContact CB-CE2 3.19Å; N40-F42 HydrophobicContact CB-CG 4.14Å; N40-F42 HydrophobicContact CB-CZ 4.12Å; N40-F42 PolarHBondContact O-N 3.18Å
41Q75.7Confident90.8Very high209 Ų20946.4 Ų46.498%0.97722%0.218SC*.  trans-72.958.3177.8-66.71809.600112.1
42F73.2Confident90.6Very high125 Ų12548.1 Ų48.155%0.54823%0.23SC..PPolyproline II helixtrans-88.6157.2176.7-71.7-52.5000111.5N40N40-F42 HydrophobicContact CB-CD2 3.2Å; N40-F42 HydrophobicContact CB-CE2 3.19Å; N40-F42 HydrophobicContact CB-CG 4.14Å; N40-F42 HydrophobicContact CB-CZ 4.12Å; N40-F42 PolarHBondContact O-N 3.18Å
43P80.3Confident90.2Very high80 Ų8050.7 Ų50.752%0.51925%0.249SC..PPolyproline II helixtrans-56.1154.4166.224.1-32.7000110.7G45P43-G45 PolarHBondContact O-N 2.97Å
44E91.7Very high89.5Confident51 Ų5152.5 Ų52.524%0.23826%0.264CS..PPolyproline II helixtrans-49.6138.7-179.4-67.6177.4159.500112.6T34 V35 R36 L94T34-E44 HydrophobicContact CG2-CB 3.63Å; T34-E44 HydrophobicContact CG2-CG 4.04Å; T34-E44 WeakPolarHBondContact CG2-OE2 3.37Å; V35-E44 CarbonylContact O-C 3.58Å; V35-E44 WeakPolarHBondContact O-CA 3.34Å; R36-E44 HydrophobicContact CG-CG 3.94Å; R36-E44 IonicContact CZ-OE1 3.48Å; R36-E44 IonicContact NE-OE1 3.2Å; R36-E44 PolarHBondContact NE-OE1 2.9Å; R36-E44 IonicContact NH2-OE1 2.89Å; R36-E44 PolarHBondContact NH2-OE1 3.4Å; E44-L94 HydrophobicContact CB-CD2 4.2Å; E44-L94 WeakPolarHBondContact O-CB 3.31Å
45G94.9Very high88.5Confident1 Ų164.4 Ų64.41%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-100.8168.9173.400000112.4T34 V35 P43 M92T34-G45 CarbonylContact C-O 3.14Å; T34-G45 WeakPolarHBondContact CA-O 3.34Å; V35-G45 PolarHBondContact N-O 3.23Å; V35-G45 PolarHBondContact O-N 3.17Å; P43-G45 PolarHBondContact O-N 2.97Å; G45-M92 CarbonylContact C-O 3.56Å; G45-M92 WeakPolarHBondContact CA-O 3.38Å
46A95.9Very high87.5Confident0 Ų068.2 Ų68.20%034%0.335CS..EExtended strand (participates in β ladder)trans-101.6129.8167.700000109.4Y33 V91 M92 L94 Y315Y33-A46 CarbonylContact O-C 3.55Å; Y33-A46 WeakPolarHBondContact O-CA 3.28Å; A46-V91 WeakPolarHBondContact O-CA 3.29Å; A46-M92 HydrophobicContact CB-CE 4.22Å; A46-M92 HydrophobicContact CB-CG 4.17Å; A46-M92 PolarHBondContact N-O 3.03Å; A46-M92 PolarHBondContact O-N 3.38Å; A46-L94 HydrophobicContact CB-CD1 3.94Å; A46-Y315 HydrophobicContact CB-CE2 3.87Å; A46-Y315 WeakPolarHBondContact CB-OH 3.47Å
47M96Very high86.7Confident0 Ų065.2 Ų65.20%033%0.333CS..EExtended strand (participates in β ladder)trans-110.1112.7171.6-179.3-175-76.100109.5L8 M14 W18 V32 Y33 V35 T49 Y89 L90 V91L8-M47 HydrophobicContact CD1-SD 4.01Å; M14-M47 HydrophobicContact CB-CE 4Å; M14-M47 HydrophobicContact CG-CE 3.87Å; M14-M47 HydrophobicContact CG-SD 4.11Å; W18-M47 HydrophobicContact CB-CE 3.47Å; W18-M47 VanDerWaalsContact CB-CE 3.47Å; W18-M47 HydrophobicContact CG-CE 4.01Å; V32-M47 CarbonylContact C-O 3.57Å; V32-M47 WeakPolarHBondContact CA-O 3.39Å; Y33-M47 PolarHBondContact N-O 3.4Å; Y33-M47 PolarHBondContact O-N 2.91Å; V35-M47 HydrophobicContact CB-CB 4.44Å; V35-M47 HydrophobicContact CG1-CB 3.48Å; V35-M47 VanDerWaalsContact CG1-CB 3.48Å; V35-M47 HydrophobicContact CG1-CE 3.9Å; V35-M47 HydrophobicContact CG1-CG 4.39Å; V35-M47 HydrophobicContact CG1-SD 4.12Å; V35-M47 HydrophobicContact CG2-CB 4.04Å; M47-T49 HydrophobicContact CG-CG2 3.95Å; M47-T49 HydrophobicContact SD-CG2 4.08Å; M47-Y89 HydrophobicContact CE-CD2 3.76Å; M47-Y89 HydrophobicContact CE-CE2 4.07Å; M47-Y89 HydrophobicContact CE-CG 4.13Å; M47-Y89 HydrophobicContact CG-CD2 4.26Å; M47-Y89 HydrophobicContact CG-CG 4.32Å; M47-Y89 HydrophobicContact SD-CD2 4.24Å; M47-Y89 HydrophobicContact SD-CG 4.09Å; M47-L90 CarbonylContact C-O 3.55Å; M47-L90 VanDerWaalsContact CA-O 3.3Å; M47-L90 WeakPolarHBondContact CA-O 3.39Å; M47-V91 HydrophobicContact CB-CG2 4.43Å; M47-V91 HydrophobicContact CE-CG2 3.8Å; M47-V91 HydrophobicContact CG-CG2 4.28Å
48K94.7Very high86.4Confident14 Ų1465.5 Ų65.56%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-91135.4169.3-171.3171.5-178.2-175.60108.4S31 V32 L59 E62 Y89 L90 D161S31-K48 CarbonylContact O-C 3.59Å; S31-K48 WeakPolarHBondContact O-CA 3.27Å; V32-K48 HydrophobicContact CG2-CG 4.25Å; K48-L59 HydrophobicContact CB-CD1 3.96Å; K48-L59 HydrophobicContact CD-CD1 3.75Å; K48-L59 HydrophobicContact CG-CD1 3.72Å; K48-L59 WeakPolarHBondContact O-CD2 3.49Å; K48-E62 IonicContact NZ-OE1 2.78Å; K48-E62 PolarHBondContact NZ-OE1 2.87Å; K48-E62 IonicContact NZ-OE2 3.74Å; K48-E62 PolarHBondContact NZ-OE2 3.34Å; K48-Y89 CarbonylContact O-C 3.48Å; K48-Y89 VanDerWaalsContact O-CA 3.23Å; K48-Y89 WeakPolarHBondContact O-CA 3.35Å; K48-L90 PolarHBondContact N-O 3.04Å; K48-L90 PolarHBondContact O-N 3.18Å; K48-D161 IonicContact NZ-OD1 3.54Å; K48-D161 PolarHBondContact NZ-OD1 3.49Å
49T93.9Very high86.4Confident1 Ų158.6 Ų58.61%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-124.2148.1-176.867.90000111.4L8 G30 S31 Y33 M47 V87 R88L8-T49 HydrophobicContact CD1-CG2 3.96Å; G30-T49 CarbonylContact C-O 3.57Å; G30-T49 WeakPolarHBondContact CA-O 3.22Å; S31-T49 PolarHBondContact N-O 3.43Å; S31-T49 PolarHBondContact O-N 3.5Å; S31-T49 PolarHBondContact O-OG1 2.89Å; Y33-T49 HydrophobicContact CD2-CG2 3.9Å; Y33-T49 HydrophobicContact CE2-CG2 3.83Å; M47-T49 HydrophobicContact CG-CG2 3.95Å; M47-T49 HydrophobicContact SD-CG2 4.08Å; T49-V87 HydrophobicContact CG2-CG1 4.15Å; T49-R88 CarbonylContact C-O 3.47Å; T49-R88 VanDerWaalsContact CA-O 3.27Å; T49-R88 WeakPolarHBondContact CA-O 3.34Å
50E91.5Very high86.6Confident7 Ų757.7 Ų57.73%0.03330%0.301CS..EExtended strand (participates in β ladder)trans-139.9160.3167.269.3179.7-17200109.7S52 V58 L59 R88E50-S52 PolarHBondContact O-N 3.16Å; E50-V58 PolarHBondContact OE2-N 3.32Å; E50-L59 HydrophobicContact CB-CD2 4.49Å; E50-L59 HydrophobicContact CG-CB 3.71Å; E50-L59 HydrophobicContact CG-CD2 3.95Å; E50-L59 VanDerWaalsContact OE1-CB 3.28Å; E50-L59 WeakPolarHBondContact OE1-CB 3.23Å; E50-L59 PolarHBondContact OE1-N 3.11Å; E50-L59 VanDerWaalsContact OE2-CB 3.31Å; E50-L59 WeakPolarHBondContact OE2-CB 3.28Å; E50-L59 PolarHBondContact OE2-N 3.37Å; E50-R88 HydrophobicContact CG-CB 3.97Å; E50-R88 HydrophobicContact CG-CG 4.44Å; E50-R88 PolarHBondContact N-O 3.5Å; E50-R88 PolarHBondContact O-N 2.81Å; E50-R88 WeakPolarHBondContact OE1-CD 3.27Å; E50-R88 IonicContact OE1-CZ 3.35Å; E50-R88 IonicContact OE1-NE 3.36Å; E50-R88 IonicContact OE1-NH1 3.79Å; E50-R88 PolarHBondContact OE1-NH1 3.31Å
51L89.9Confident87Confident16 Ų1657.9 Ų57.98%0.08430%0.298CS..EExtended strand (participates in β ladder)trans-62.5133.5169.8-74.8167000109.8E3 L5 P6 S53 A54E3-L51 HydrophobicContact CB-CD1 3.51Å; L5-L51 HydrophobicContact CD2-CG 4.41Å; P6-L51 HydrophobicContact CG-CD2 3.74Å; P6-L51 HydrophobicContact CG-CG 4.36Å; L51-S53 PolarHBondContact O-N 3.45Å; L51-A54 HydrophobicContact CB-CB 4.33Å; L51-A54 WeakPolarHBondContact O-CB 3.24Å; L51-A54 PolarHBondContact O-N 3.46Å
52S87.3Confident87.9Confident36 Ų3648.3 Ų48.325%0.25225%0.254SS..THydrogen-bonded Turntrans-60.4-31.4176.563.20000112.4E50 A54 N86 R88E50-S52 PolarHBondContact O-N 3.16Å; S52-A54 VanDerWaalsContact C-N 3.32Å; S52-N86 WeakPolarHBondContact CB-O 3.44Å; S52-N86 PolarHBondContact N-O 3.49Å; S52-N86 VanDerWaalsContact OG-C 3.3Å; S52-N86 VanDerWaalsContact OG-CA 3.29Å; S52-N86 WeakPolarHBondContact OG-CA 3.46Å; S52-N86 PolarHBondContact OG-O 3.26Å; S52-R88 PolarHBondContact O-NH2 2.8Å
53S84.8Confident89Confident64 Ų6442.4 Ų42.445%0.44823%0.228SC..THydrogen-bonded Turntrans-78.3-6.3174.950.80000114.2E3 L51 R55E3-S53 WeakPolarHBondContact OE2-CB 3.24Å; E3-S53 PolarHBondContact OE2-OG 2.75Å; L51-S53 PolarHBondContact O-N 3.45Å; S53-R55 PolarHBondContact O-N 3.25Å
54A81.8Confident89.8Confident38 Ų3842.9 Ų42.931%0.31422%0.222SC..  trans-54.8126.3-177.600000111L51 S52 S56L51-A54 HydrophobicContact CB-CB 4.33Å; L51-A54 WeakPolarHBondContact O-CB 3.24Å; L51-A54 PolarHBondContact O-N 3.46Å; S52-A54 VanDerWaalsContact C-N 3.32Å; A54-S56 PolarHBondContact O-N 2.87Å; A54-S56 VanDerWaalsContact O-N 3.15Å
55R74.4Confident90.1Very high253 Ų25340.5 Ų40.596%0.95521%0.211SC*.SBendtrans-57.3-33.2-174.3-171177.8-177.9-178.91.8113.1S53S53-R55 PolarHBondContact O-N 3.25Å
56S73.9Confident90.3Very high80 Ų8040.6 Ų40.656%0.55921%0.211SC*.SBendtrans-109.4111.3174.5-61.90000108A54 V58A54-S56 PolarHBondContact O-N 2.87Å; A54-S56 VanDerWaalsContact O-N 3.15Å; S56-V58 PolarHBondContact O-N 2.71Å
57A79Confident90.4Very high45 Ų4544.7 Ų44.737%0.37223%0.23SC..  trans-76.162.3178.400000111.5L59 K60 F61A57-L59 VanDerWaalsContact C-N 3.34Å; A57-L59 PolarHBondContact O-N 3.38Å; A57-K60 HydrophobicContact CB-CB 4.37Å; A57-K60 HydrophobicContact CB-CD 4.33Å; A57-K60 HydrophobicContact CB-CG 4.44Å; A57-K60 PolarHBondContact O-N 3.39Å; A57-F61 PolarHBondContact O-N 3.2Å
58V88.6Confident90.5Very high20 Ų2051.1 Ų51.112%0.12125%0.254CS..Hα-helixtrans-63.5-42.5-174.4-178.30000110.1F29 E50 S56 K60 F61 E62F29-V58 HydrophobicContact CD1-CG2 4.33Å; E50-V58 PolarHBondContact OE2-N 3.32Å; S56-V58 PolarHBondContact O-N 2.71Å; V58-K60 PolarHBondContact O-N 3.1Å; V58-F61 WeakPolarHBondContact O-CB 3.11Å; V58-F61 PolarHBondContact O-N 3.11Å; V58-F61 VanDerWaalsContact O-N 3.09Å; V58-E62 HydrophobicContact CG1-CG 4.36Å; V58-E62 WeakPolarHBondContact CG1-OE1 3.45Å; V58-E62 PolarHBondContact O-N 3.27Å
59L92Very high90.7Very high2 Ų250.4 Ų50.41%0.0125%0.251CS..Hα-helixtrans-66.7-35.4-176.9-163.562.7000113.4K48 E50 A57 F61 E62 A63 R88 L90K48-L59 HydrophobicContact CB-CD1 3.96Å; K48-L59 HydrophobicContact CD-CD1 3.75Å; K48-L59 HydrophobicContact CG-CD1 3.72Å; K48-L59 WeakPolarHBondContact O-CD2 3.49Å; E50-L59 HydrophobicContact CB-CD2 4.49Å; E50-L59 HydrophobicContact CG-CB 3.71Å; E50-L59 HydrophobicContact CG-CD2 3.95Å; E50-L59 VanDerWaalsContact OE1-CB 3.28Å; E50-L59 WeakPolarHBondContact OE1-CB 3.23Å; E50-L59 PolarHBondContact OE1-N 3.11Å; E50-L59 VanDerWaalsContact OE2-CB 3.31Å; E50-L59 WeakPolarHBondContact OE2-CB 3.28Å; E50-L59 PolarHBondContact OE2-N 3.37Å; A57-L59 VanDerWaalsContact C-N 3.34Å; A57-L59 PolarHBondContact O-N 3.38Å; L59-F61 VanDerWaalsContact C-N 3.27Å; L59-F61 PolarHBondContact O-N 3.12Å; L59-E62 PolarHBondContact O-N 3.39Å; L59-A63 WeakPolarHBondContact O-CB 3.34Å; L59-A63 PolarHBondContact O-N 3.05Å; L59-R88 HydrophobicContact CD2-CG 4.29Å; L59-L90 HydrophobicContact CD1-CB 3.78Å; L59-L90 HydrophobicContact CD1-CD2 4.08Å; L59-L90 HydrophobicContact CD2-CB 4.16Å; L59-L90 HydrophobicContact CG-CB 3.9Å
60K93.6Very high90.9Very high106 Ų10654 Ų5446%0.46127%0.268SS..Hα-helixtrans-61.2-40.1173.1-72.9-169.7173.9176.40111.4A57 V58 F64 M81A57-K60 HydrophobicContact CB-CB 4.37Å; A57-K60 HydrophobicContact CB-CD 4.33Å; A57-K60 HydrophobicContact CB-CG 4.44Å; A57-K60 PolarHBondContact O-N 3.39Å; V58-K60 PolarHBondContact O-N 3.1Å; K60-F64 WeakPolarHBondContact O-CB 3.37Å; K60-F64 PolarHBondContact O-N 2.88Å; K60-F64 VanDerWaalsContact O-N 3.07Å; K60-M81 HydrophobicContact CG-SD 4.33Å
61F93.9Very high91.2Very high67 Ų6757.7 Ų57.729%0.29431%0.308SS..Hα-helixtrans-70.6-42.5178.5178.5-104.1000111.7A57 V58 L59 A63 F64 V65 F135 A165A57-F61 PolarHBondContact O-N 3.2Å; V58-F61 WeakPolarHBondContact O-CB 3.11Å; V58-F61 PolarHBondContact O-N 3.11Å; V58-F61 VanDerWaalsContact O-N 3.09Å; L59-F61 VanDerWaalsContact C-N 3.27Å; L59-F61 PolarHBondContact O-N 3.12Å; F61-A63 PolarHBondContact O-N 2.89Å; F61-F64 WeakPolarHBondContact O-CB 3.38Å; F61-F64 PolarHBondContact O-N 3.24Å; F61-V65 HydrophobicContact CD1-CG2 4.47Å; F61-V65 HydrophobicContact CE1-CG2 4.05Å; F61-V65 HydrophobicContact CE2-CG2 4.2Å; F61-V65 HydrophobicContact CZ-CG2 3.9Å; F61-V65 WeakPolarHBondContact O-CG2 3.47Å; F61-V65 PolarHBondContact O-N 3.29Å; F61-F135 HydrophobicContact CE2-CD1 4.44Å; F61-F135 AromaticContact CE2-CE1 3.64Å; F61-F135 HydrophobicContact CE2-CE1 3.64Å; F61-F135 HydrophobicContact CE2-CZ 4.43Å; F61-F135 AromaticContact CZ-CD1 3.9Å; F61-F135 HydrophobicContact CZ-CD1 3.9Å; F61-F135 AromaticContact CZ-CE1 3.54Å; F61-F135 HydrophobicContact CZ-CE1 3.54Å; F61-A165 HydrophobicContact CE1-CB 3.9Å; F61-A165 VanDerWaalsContact CE1-O 3.3Å; F61-A165 WeakPolarHBondContact CE1-O 3.5Å; F61-A165 HydrophobicContact CZ-CB 4.35Å
62E95.1Very high91.6Very high9 Ų960.8 Ų60.84%0.04232%0.321CS..Hα-helixtrans-57.5-47.4173.5-76.2-175.9-143.100112.2K48 V58 L59 F64 V65 L66 F162 G163K48-E62 IonicContact NZ-OE1 2.78Å; K48-E62 PolarHBondContact NZ-OE1 2.87Å; K48-E62 IonicContact NZ-OE2 3.74Å; K48-E62 PolarHBondContact NZ-OE2 3.34Å; V58-E62 HydrophobicContact CG1-CG 4.36Å; V58-E62 WeakPolarHBondContact CG1-OE1 3.45Å; V58-E62 PolarHBondContact O-N 3.27Å; L59-E62 PolarHBondContact O-N 3.39Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 3.5Å; E62-V65 PolarHBondContact O-N 3.38Å; E62-L66 WeakPolarHBondContact O-CB 3.48Å; E62-L66 PolarHBondContact O-N 2.83Å; E62-F162 HydrophobicContact CG-CB 4.24Å; E62-G163 VanDerWaalsContact CG-N 3.33Å; E62-G163 VanDerWaalsContact OE1-CA 3.31Å; E62-G163 WeakPolarHBondContact OE1-CA 3.49Å
63A96.6Very high92.1Very high0 Ų063.5 Ų63.50%034%0.336CS..Hα-helixtrans-59.2-43.5176.500000111.6L59 F61 V65 L66 Q67 Y78 M81 L90L59-A63 WeakPolarHBondContact O-CB 3.34Å; L59-A63 PolarHBondContact O-N 3.05Å; F61-A63 PolarHBondContact O-N 2.89Å; A63-V65 PolarHBondContact O-N 2.58Å; A63-L66 PolarHBondContact O-N 3.43Å; A63-Q67 WeakPolarHBondContact O-CB 3.47Å; A63-Q67 VanDerWaalsContact O-CG 3.24Å; A63-Q67 WeakPolarHBondContact O-CG 3.43Å; A63-Q67 PolarHBondContact O-N 3.23Å; A63-Y78 HydrophobicContact CB-CE2 4.25Å; A63-M81 HydrophobicContact CB-CB 4.46Å; A63-M81 HydrophobicContact CB-CE 4.06Å; A63-M81 HydrophobicContact CB-CG 4.34Å; A63-M81 HydrophobicContact CB-SD 3.29Å; A63-M81 WeakPolarHBondContact CB-SD 3.49Å; A63-L90 HydrophobicContact CB-CD1 3.96Å; A63-L90 HydrophobicContact CB-CD2 4.27Å
64F96.7Very high92.7Very high91 Ų9160.7 Ų60.740%0.39932%0.316SS..Hα-helixtrans-60-45.4176.7172.4-96.5000112.4K60 F61 E62 Q67 R68 F135K60-F64 WeakPolarHBondContact O-CB 3.37Å; K60-F64 PolarHBondContact O-N 2.88Å; K60-F64 VanDerWaalsContact O-N 3.07Å; F61-F64 WeakPolarHBondContact O-CB 3.38Å; F61-F64 PolarHBondContact O-N 3.24Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 3.5Å; F64-Q67 PolarHBondContact O-N 2.77Å; F64-R68 HydrophobicContact CE1-CG 4.48Å; F64-R68 HydrophobicContact CZ-CG 4.33Å; F64-R68 WeakPolarHBondContact O-CG 3.33Å; F64-R68 PolarHBondContact O-N 3.15Å; F64-F135 HydrophobicContact CD1-CZ 4.31Å; F64-F135 HydrophobicContact CE1-CE2 4.1Å; F64-F135 AromaticContact CE1-CZ 3.72Å; F64-F135 HydrophobicContact CE1-CZ 3.72Å
65V97.7Very high93.6Very high0 Ų059.3 Ų59.30%030%0.303CS..Hα-helixtrans-65.2-46.9177.8175.30000110.3F61 E62 A63 Q67 R68 L69 I130 I133 F135 F162F61-V65 HydrophobicContact CD1-CG2 4.47Å; F61-V65 HydrophobicContact CE1-CG2 4.05Å; F61-V65 HydrophobicContact CE2-CG2 4.2Å; F61-V65 HydrophobicContact CZ-CG2 3.9Å; F61-V65 WeakPolarHBondContact O-CG2 3.47Å; F61-V65 PolarHBondContact O-N 3.29Å; E62-V65 PolarHBondContact O-N 3.38Å; A63-V65 PolarHBondContact O-N 2.58Å; V65-Q67 VanDerWaalsContact C-N 3.33Å; V65-Q67 PolarHBondContact O-N 3.1Å; V65-R68 PolarHBondContact O-N 3.44Å; V65-R68 VanDerWaalsContact O-N 3.13Å; V65-L69 HydrophobicContact CG1-CD1 3.69Å; V65-L69 WeakPolarHBondContact O-CD1 3.44Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 2.88Å; V65-I130 HydrophobicContact CG1-CD1 4.38Å; V65-I133 HydrophobicContact CG1-CD1 4.33Å; V65-F135 HydrophobicContact CG2-CD1 3.91Å; V65-F135 HydrophobicContact CG2-CE1 3.95Å; V65-F135 HydrophobicContact CG2-CG 4.29Å; V65-F135 HydrophobicContact CG2-CZ 4.37Å; V65-F162 HydrophobicContact CB-CB 3.98Å; V65-F162 HydrophobicContact CB-CD2 4.35Å; V65-F162 HydrophobicContact CB-CG 4.14Å; V65-F162 HydrophobicContact CG1-CB 3.87Å; V65-F162 HydrophobicContact CG1-CD1 3.97Å; V65-F162 HydrophobicContact CG1-CD2 4.13Å; V65-F162 HydrophobicContact CG1-CG 3.68Å; V65-F162 HydrophobicContact CG2-CB 4.48Å
66L98.4Very high94.7Very high3 Ų347.5 Ų47.52%0.01626%0.258CS..Hα-helixtrans-59.8-41.1177.9-17758.4000112.3E62 A63 R68 L69 Q70 F75 L76 Y78 L90 M92 F162E62-L66 WeakPolarHBondContact O-CB 3.48Å; E62-L66 PolarHBondContact O-N 2.83Å; A63-L66 PolarHBondContact O-N 3.43Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.09Å; L66-L69 PolarHBondContact O-N 3.31Å; L66-L69 VanDerWaalsContact O-N 3.13Å; L66-Q70 PolarHBondContact O-N 3.31Å; L66-Q70 PolarHBondContact O-NE2 2.74Å; L66-F75 HydrophobicContact CD1-CB 4.43Å; L66-L76 WeakPolarHBondContact CD1-O 3.38Å; L66-Y78 HydrophobicContact CD2-CD2 4.41Å; L66-L90 HydrophobicContact CD2-CD2 4.46Å; L66-M92 HydrophobicContact CD2-CB 4.1Å; L66-M92 HydrophobicContact CD2-SD 4.26Å; L66-F162 HydrophobicContact CB-CD2 4.21Å; L66-F162 HydrophobicContact CB-CE2 3.99Å; L66-F162 HydrophobicContact CD1-CE2 3.88Å; L66-F162 HydrophobicContact CD1-CZ 4.48Å; L66-F162 HydrophobicContact CG-CE2 4.45Å
67Q98.2Very high95.7Very high87 Ų8749.2 Ų49.241%0.40726%0.256SS..Hα-helixtrans-60.9-40.2175.4-78.6179.5-38.900112.4A63 F64 V65 L69 Q70 Y78A63-Q67 WeakPolarHBondContact O-CB 3.47Å; A63-Q67 VanDerWaalsContact O-CG 3.24Å; A63-Q67 WeakPolarHBondContact O-CG 3.43Å; A63-Q67 PolarHBondContact O-N 3.23Å; F64-Q67 PolarHBondContact O-N 2.77Å; V65-Q67 VanDerWaalsContact C-N 3.33Å; V65-Q67 PolarHBondContact O-N 3.1Å; Q67-L69 PolarHBondContact O-N 3.48Å; Q67-Q70 WeakPolarHBondContact O-CG 3.42Å; Q67-Q70 PolarHBondContact O-N 3.03Å; Q67-Y78 HydrophobicContact CG-CD1 4.18Å; Q67-Y78 HydrophobicContact CG-CD2 3.62Å; Q67-Y78 HydrophobicContact CG-CE1 4.29Å; Q67-Y78 HydrophobicContact CG-CE2 3.72Å; Q67-Y78 HydrophobicContact CG-CG 3.86Å; Q67-Y78 PolarHBondContact NE2-OH 2.98Å
68R98Very high96.6Very high134 Ų13449.6 Ų49.651%0.50625%0.248SC..Hα-helixtrans-69.2-20.3176.2-70.7-172.169.782.92.8113.6F64 V65 L66 I133F64-R68 HydrophobicContact CE1-CG 4.48Å; F64-R68 HydrophobicContact CZ-CG 4.33Å; F64-R68 WeakPolarHBondContact O-CG 3.33Å; F64-R68 PolarHBondContact O-N 3.15Å; V65-R68 PolarHBondContact O-N 3.44Å; V65-R68 VanDerWaalsContact O-N 3.13Å; L66-R68 VanDerWaalsContact C-N 3.33Å; L66-R68 PolarHBondContact O-N 3.09Å; R68-I133 HydrophobicContact CB-CD1 3.71Å
69L98.6Very high96.9Very high0 Ų051.6 Ų51.60%025%0.254CS..THydrogen-bonded Turntrans-92-2.6179.3-68161.7000113V65 L66 Q67 G71 K72 F75 I130 I133 F162V65-L69 HydrophobicContact CG1-CD1 3.69Å; V65-L69 WeakPolarHBondContact O-CD1 3.44Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 2.88Å; L66-L69 PolarHBondContact O-N 3.31Å; L66-L69 VanDerWaalsContact O-N 3.13Å; Q67-L69 PolarHBondContact O-N 3.48Å; L69-G71 PolarHBondContact O-N 3.25Å; L69-K72 VanDerWaalsContact O-CB 3.25Å; L69-K72 WeakPolarHBondContact O-CB 3.44Å; L69-K72 WeakPolarHBondContact O-CG 3.44Å; L69-K72 PolarHBondContact O-N 2.94Å; L69-K72 VanDerWaalsContact O-N 3.1Å; L69-F75 HydrophobicContact CB-CB 4.11Å; L69-F75 HydrophobicContact CB-CD1 4.01Å; L69-F75 HydrophobicContact CB-CD2 4.15Å; L69-F75 HydrophobicContact CB-CE1 4.47Å; L69-F75 HydrophobicContact CB-CG 3.79Å; L69-F75 HydrophobicContact CD1-CD1 3.58Å; L69-F75 HydrophobicContact CD1-CE1 3.54Å; L69-F75 HydrophobicContact CD1-CG 4.25Å; L69-F75 HydrophobicContact CD1-CZ 4.18Å; L69-F75 HydrophobicContact CD2-CD1 4.31Å; L69-F75 HydrophobicContact CD2-CD2 4.28Å; L69-F75 HydrophobicContact CD2-CE1 3.93Å; L69-F75 HydrophobicContact CD2-CE2 3.89Å; L69-F75 HydrophobicContact CD2-CG 4.44Å; L69-F75 HydrophobicContact CD2-CZ 3.68Å; L69-F75 HydrophobicContact CG-CD1 4.15Å; L69-F75 HydrophobicContact CG-CE1 4.16Å; L69-F75 HydrophobicContact CG-CG 4.36Å; L69-F75 HydrophobicContact CG-CZ 4.39Å; L69-I130 HydrophobicContact CD1-CG1 4.46Å; L69-I130 HydrophobicContact CD2-CB 4.39Å; L69-I133 HydrophobicContact CD1-CD1 4.19Å; L69-I133 HydrophobicContact CD2-CD1 3.62Å; L69-I133 HydrophobicContact CD2-CG1 3.97Å; L69-I133 HydrophobicContact CD2-CG2 4.4Å; L69-I133 HydrophobicContact CG-CD1 3.6Å; L69-I133 HydrophobicContact CG-CG1 4.49Å; L69-F162 HydrophobicContact CD1-CE1 4.02Å; L69-F162 HydrophobicContact CD1-CE2 4.42Å; L69-F162 HydrophobicContact CD1-CZ 3.98Å
70Q98.5Very high97.1Very high76 Ų7653 Ų5336%0.35526%0.261SS..THydrogen-bonded Turntrans-60.9138.4179-62.3-56.5-70.900111.2L66 Q67 K72 L76L66-Q70 PolarHBondContact O-N 3.31Å; L66-Q70 PolarHBondContact O-NE2 2.74Å; Q67-Q70 WeakPolarHBondContact O-CG 3.42Å; Q67-Q70 PolarHBondContact O-N 3.03Å; Q70-K72 VanDerWaalsContact C-N 3.34Å; Q70-L76 PolarHBondContact NE2-O 2.99Å; Q70-L76 VanDerWaalsContact NE2-O 3.13Å
71G97.5Very high97.2Very high85 Ų8550.5 Ų50.588%0.87625%0.252SS*.THydrogen-bonded Turntrans88.6-7.9-173.500000114.6L69L69-G71 PolarHBondContact O-N 3.25Å
72K98.3Very high97.3Very high80 Ų8050 Ų5035%0.34825%0.253SS..  trans-87.6147.2171-59.5-61.1-164.1149.50110.9L69 Q70 H74 F75 D129L69-K72 VanDerWaalsContact O-CB 3.25Å; L69-K72 WeakPolarHBondContact O-CB 3.44Å; L69-K72 WeakPolarHBondContact O-CG 3.44Å; L69-K72 PolarHBondContact O-N 2.94Å; L69-K72 VanDerWaalsContact O-N 3.1Å; Q70-K72 VanDerWaalsContact C-N 3.34Å; K72-H74 PolarHBondContact O-N 3.19Å; K72-F75 HydrophobicContact CB-CD2 3.42Å; K72-F75 VanDerWaalsContact CB-CD2 3.42Å; K72-F75 HydrophobicContact CB-CE2 3.77Å; K72-F75 HydrophobicContact CG-CD2 4.42Å; K72-F75 HydrophobicContact CG-CE2 4.48Å; K72-D129 HydrophobicContact CD-CB 4.34Å; K72-D129 HydrophobicContact CG-CB 4.3Å; K72-D129 IonicContact NZ-OD1 3.79Å; K72-D129 PolarHBondContact NZ-OD1 3.38Å
73T98.3Very high97.2Very high93 Ų9352.5 Ų52.557%0.57127%0.268SS*.THydrogen-bonded Turntrans-63.5-44.4-169.7-53.80000113.7F75 T156T73-F75 VanDerWaalsContact C-N 3.31Å; T73-F75 PolarHBondContact O-N 2.76Å; T73-T156 HydrophobicContact CG2-CG2 4.18Å
74H98.8Very high97Very high6 Ų655 Ų553%0.02828%0.28CS..THydrogen-bonded Turntrans-9528-167.3-57.9-64.7000113.6K72 Q122 E125 A126 L157 Y158 M159K72-H74 PolarHBondContact O-N 3.19Å; H74-Q122 PolarHBondContact CE1-OE1 2.84Å; H74-Q122 VanDerWaalsContact CE1-OE1 3.3Å; H74-E125 IonicContact CE1-OE2 3.47Å; H74-E125 IonicContact NE2-OE2 3.82Å; H74-E125 PolarHBondContact NE2-OE2 3.44Å; H74-A126 HydrophobicContact CB-CB 3.54Å; H74-L157 WeakPolarHBondContact CA-O 3.48Å; H74-L157 VanDerWaalsContact CB-O 3.26Å; H74-L157 WeakPolarHBondContact CB-O 3.28Å; H74-L157 PolarHBondContact ND1-O 3.17Å; H74-Y158 CarbonylContact O-C 3.3Å; H74-Y158 WeakPolarHBondContact O-CA 3.46Å; H74-M159 PolarHBondContact O-N 2.73Å
75F98.6Very high96.7Very high9 Ų958.6 Ų58.64%0.03930%0.298CS..BIsolated β-bridgetrans-132.7134.7-176.5-57.6-83.4000111.1L66 L69 K72 T73 A126 D129 I130 M159 F162L66-F75 HydrophobicContact CD1-CB 4.43Å; L69-F75 HydrophobicContact CB-CB 4.11Å; L69-F75 HydrophobicContact CB-CD1 4.01Å; L69-F75 HydrophobicContact CB-CD2 4.15Å; L69-F75 HydrophobicContact CB-CE1 4.47Å; L69-F75 HydrophobicContact CB-CG 3.79Å; L69-F75 HydrophobicContact CD1-CD1 3.58Å; L69-F75 HydrophobicContact CD1-CE1 3.54Å; L69-F75 HydrophobicContact CD1-CG 4.25Å; L69-F75 HydrophobicContact CD1-CZ 4.18Å; L69-F75 HydrophobicContact CD2-CD1 4.31Å; L69-F75 HydrophobicContact CD2-CD2 4.28Å; L69-F75 HydrophobicContact CD2-CE1 3.93Å; L69-F75 HydrophobicContact CD2-CE2 3.89Å; L69-F75 HydrophobicContact CD2-CG 4.44Å; L69-F75 HydrophobicContact CD2-CZ 3.68Å; L69-F75 HydrophobicContact CG-CD1 4.15Å; L69-F75 HydrophobicContact CG-CE1 4.16Å; L69-F75 HydrophobicContact CG-CG 4.36Å; L69-F75 HydrophobicContact CG-CZ 4.39Å; K72-F75 HydrophobicContact CB-CD2 3.42Å; K72-F75 VanDerWaalsContact CB-CD2 3.42Å; K72-F75 HydrophobicContact CB-CE2 3.77Å; K72-F75 HydrophobicContact CG-CD2 4.42Å; K72-F75 HydrophobicContact CG-CE2 4.48Å; T73-F75 VanDerWaalsContact C-N 3.31Å; T73-F75 PolarHBondContact O-N 2.76Å; F75-A126 HydrophobicContact CZ-CB 4.38Å; F75-A126 WeakPolarHBondContact CZ-O 3.23Å; F75-D129 HydrophobicContact CE2-CB 3.61Å; F75-D129 HydrophobicContact CZ-CB 4.01Å; F75-I130 HydrophobicContact CZ-CB 4.38Å; F75-M159 HydrophobicContact CD1-CB 4.27Å; F75-M159 HydrophobicContact CE1-CB 3.91Å; F75-M159 HydrophobicContact CE1-CG 4.33Å; F75-M159 HydrophobicContact CE1-SD 3.89Å; F75-M159 HydrophobicContact CZ-SD 4.41Å; F75-F162 HydrophobicContact CD1-CE1 4.25Å; F75-F162 AromaticContact CD1-CZ 3.83Å; F75-F162 HydrophobicContact CD1-CZ 3.83Å; F75-F162 HydrophobicContact CE1-CE1 4.13Å; F75-F162 HydrophobicContact CE1-CZ 4.19Å
76L97.5Very high96.3Very high4 Ų462.3 Ų62.32%0.02132%0.318CS..PPolyproline II helixtrans-62144.6180-66.4174.7000110.7L66 Q70 Y78 M92 Q93 A95 Y158 L160L66-L76 WeakPolarHBondContact CD1-O 3.38Å; Q70-L76 PolarHBondContact NE2-O 2.99Å; Q70-L76 VanDerWaalsContact NE2-O 3.13Å; L76-Y78 PolarHBondContact O-N 3.09Å; L76-M92 HydrophobicContact CD1-CE 4.5Å; L76-M92 HydrophobicContact CD1-CG 4.46Å; L76-M92 HydrophobicContact CD1-SD 4.11Å; L76-Q93 HydrophobicContact CB-CB 4.1Å; L76-Q93 WeakPolarHBondContact CD1-O 3.44Å; L76-Q93 HydrophobicContact CD2-CB 3.99Å; L76-Q93 HydrophobicContact CD2-CG 3.95Å; L76-A95 HydrophobicContact CD1-CB 4.28Å; L76-A95 HydrophobicContact CD2-CB 4.08Å; L76-Y158 HydrophobicContact CD2-CD1 3.85Å; L76-Y158 HydrophobicContact CD2-CD2 4.01Å; L76-Y158 HydrophobicContact CD2-CE1 4.31Å; L76-Y158 HydrophobicContact CD2-CE2 4.44Å; L76-Y158 HydrophobicContact CD2-CG 3.68Å; L76-Y158 HydrophobicContact CG-CD1 4.29Å; L76-Y158 HydrophobicContact CG-CG 4.29Å; L76-L160 HydrophobicContact CD1-CD2 3.38Å; L76-L160 HydrophobicContact CG-CD2 4.02Å
77K96.8Very high96Very high117 Ų11762.5 Ų62.551%0.50932%0.319SS..PPolyproline II helixtrans-62131.8173.8-63.5178.1-178177.30110.2Y79 M92 Q93K77-Y79 HydrophobicContact CB-CD1 4.12Å; K77-Y79 HydrophobicContact CB-CE1 3.47Å; K77-Y79 VanDerWaalsContact CB-CE1 3.47Å; K77-Y79 HydrophobicContact CD-CE1 4.23Å; K77-Y79 HydrophobicContact CG-CE1 4.5Å; K77-M92 CarbonylContact O-C 3.54Å; K77-M92 WeakPolarHBondContact O-CA 3.18Å; K77-M92 WeakPolarHBondContact O-CB 3.39Å; K77-Q93 HydrophobicContact CB-CB 4.13Å; K77-Q93 PolarHBondContact O-N 2.99Å
78Y97.2Very high95.8Very high53 Ų5359.2 Ų59.221%0.20830%0.303CS..EExtended strand (participates in β ladder)trans-78.6130.5168.2173.5-84.5000109.1A63 L66 Q67 L76 M81 L90A63-Y78 HydrophobicContact CB-CE2 4.25Å; L66-Y78 HydrophobicContact CD2-CD2 4.41Å; Q67-Y78 HydrophobicContact CG-CD1 4.18Å; Q67-Y78 HydrophobicContact CG-CD2 3.62Å; Q67-Y78 HydrophobicContact CG-CE1 4.29Å; Q67-Y78 HydrophobicContact CG-CE2 3.72Å; Q67-Y78 HydrophobicContact CG-CG 3.86Å; Q67-Y78 PolarHBondContact NE2-OH 2.98Å; L76-Y78 PolarHBondContact O-N 3.09Å; Y78-M81 HydrophobicContact CE2-CB 4.15Å; Y78-M81 WeakPolarHBondContact OH-CB 3.46Å; Y78-M81 PolarHBondContact OH-N 3.38Å; Y78-L90 HydrophobicContact CD2-CD1 3.66Å; Y78-L90 HydrophobicContact CE2-CD1 3.53Å
79Y95.8Very high95.7Very high62 Ų6252.8 Ų52.824%0.24328%0.279CS..EExtended strand (participates in β ladder)trans-110.1-48.5177.7-60.4-27.3000112.8W18 K77 V91 M92 Q93W18-Y79 HydrophobicContact CH2-CD2 4.15Å; W18-Y79 HydrophobicContact CH2-CG 4.29Å; K77-Y79 HydrophobicContact CB-CD1 4.12Å; K77-Y79 HydrophobicContact CB-CE1 3.47Å; K77-Y79 VanDerWaalsContact CB-CE1 3.47Å; K77-Y79 HydrophobicContact CD-CE1 4.23Å; K77-Y79 HydrophobicContact CG-CE1 4.5Å; Y79-V91 WeakPolarHBondContact CA-O 3.48Å; Y79-V91 WeakPolarHBondContact CB-O 3.49Å; Y79-V91 HydrophobicContact CD2-CG1 4.11Å; Y79-V91 PolarHBondContact N-O 3.09Å; Y79-M92 VanDerWaalsContact CE2-C 3.5Å; Y79-Q93 HydrophobicContact CE2-CB 4.37Å
80D95.7Very high95.5Very high30 Ų3052.9 Ų52.916%0.1628%0.279CS..EExtended strand (participates in β ladder)trans-162.2157.9-175.2-163.48.1000111.8W18 L90 V91W18-D80 HydrophobicContact CZ2-CB 3.81Å; W18-D80 PolarHBondContact NE1-OD2 2.77Å; D80-L90 WeakPolarHBondContact O-CD1 3.4Å; D80-V91 HydrophobicContact CB-CB 4.23Å; D80-V91 HydrophobicContact CB-CG2 4.26Å; D80-V91 PolarHBondContact N-O 3.36Å; D80-V91 VanDerWaalsContact N-O 3.15Å; D80-V91 PolarHBondContact O-N 3.49Å
81M95.6Very high95.5Very high55 Ų5549.3 Ų49.327%0.27126%0.262SS..EExtended strand (participates in β ladder)trans-145.5127.9166.3-179.3-179.56200108.2K60 A63 Y78 Y89K60-M81 HydrophobicContact CG-SD 4.33Å; A63-M81 HydrophobicContact CB-CB 4.46Å; A63-M81 HydrophobicContact CB-CE 4.06Å; A63-M81 HydrophobicContact CB-CG 4.34Å; A63-M81 HydrophobicContact CB-SD 3.29Å; A63-M81 WeakPolarHBondContact CB-SD 3.49Å; Y78-M81 HydrophobicContact CE2-CB 4.15Å; Y78-M81 WeakPolarHBondContact OH-CB 3.46Å; Y78-M81 PolarHBondContact OH-N 3.38Å; M81-Y89 VanDerWaalsContact CA-O 3.29Å; M81-Y89 WeakPolarHBondContact CA-O 3.49Å; M81-Y89 WeakPolarHBondContact CG-O 3.34Å
82N95.4Very high95.4Very high57 Ų5746.4 Ų46.431%0.30523%0.226SC..EExtended strand (participates in β ladder)trans-148.5-179.2179.7-135.1-55.5000112.6R88 Y89N82-R88 WeakPolarHBondContact O-CA 3.48Å; N82-Y89 HydrophobicContact CB-CE1 3.7Å; N82-Y89 HydrophobicContact CB-CE2 3.97Å; N82-Y89 VanDerWaalsContact CB-OH 3.23Å; N82-Y89 WeakPolarHBondContact CB-OH 3.43Å; N82-Y89 PolarHBondContact N-O 3.47Å; N82-Y89 PolarHBondContact O-N 2.91Å
83T93.7Very high95.3Very high60 Ų6043.6 Ų43.637%0.36821%0.214SC..EExtended strand (participates in β ladder)trans-134129170.6-59.40000108.5V87T83-V87 CarbonylContact C-O 3.48Å; T83-V87 VanDerWaalsContact CA-O 3.28Å; T83-V87 WeakPolarHBondContact CA-O 3Å
84Q92.9Very high95.1Very high53 Ų5339.7 Ų39.725%0.24819%0.19CC..EExtended strand (participates in β ladder)trans-130.5126.5173.8174.3173-22.700107.9M14 N86 V87M14-Q84 HydrophobicContact CE-CB 3.87Å; M14-Q84 HydrophobicContact CE-CG 4.4Å; Q84-N86 PolarHBondContact O-N 2.94Å; Q84-V87 PolarHBondContact N-O 3.2Å; Q84-V87 PolarHBondContact O-N 3.3Å
85E89Confident94.9Very high167 Ų16739.5 Ų39.578%0.7819%0.19SC*.THydrogen-bonded Turntrans52.3-122.6-173.2-60.1171.6-167.700110.6
86N89.7Confident94.7Very high78 Ų7839.7 Ų39.742%0.41719%0.194SC..THydrogen-bonded Turntrans-93.37.9177.967.6-16.9000113.4S52 Q84S52-N86 WeakPolarHBondContact CB-O 3.44Å; S52-N86 PolarHBondContact N-O 3.49Å; S52-N86 VanDerWaalsContact OG-C 3.3Å; S52-N86 VanDerWaalsContact OG-CA 3.29Å; S52-N86 WeakPolarHBondContact OG-CA 3.46Å; S52-N86 PolarHBondContact OG-O 3.26Å; Q84-N86 PolarHBondContact O-N 2.94Å
87V92Very high94.5Very high6 Ų642.4 Ų42.44%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-109.8121.6-174.1-168.80000111P6 L8 M14 T49 T83 Q84P6-V87 HydrophobicContact CB-CB 4.38Å; P6-V87 HydrophobicContact CB-CG1 4.18Å; P6-V87 HydrophobicContact CB-CG2 3.4Å; P6-V87 HydrophobicContact CG-CB 4.24Å; P6-V87 HydrophobicContact CG-CG1 4.1Å; P6-V87 HydrophobicContact CG-CG2 3.55Å; L8-V87 HydrophobicContact CD2-CG2 4.44Å; M14-V87 HydrophobicContact CE-CB 4.08Å; M14-V87 HydrophobicContact CE-CG1 4.16Å; T49-V87 HydrophobicContact CG2-CG1 4.15Å; T83-V87 CarbonylContact C-O 3.48Å; T83-V87 VanDerWaalsContact CA-O 3.28Å; T83-V87 WeakPolarHBondContact CA-O 3Å; Q84-V87 PolarHBondContact N-O 3.2Å; Q84-V87 PolarHBondContact O-N 3.3Å
88R93.8Very high94.5Very high18 Ų1836.8 Ų36.87%0.06818%0.179CC..EExtended strand (participates in β ladder)trans-95.1137.4164.6-175.1-180-58.2129.811.2108.9T49 E50 S52 L59 N82T49-R88 CarbonylContact C-O 3.47Å; T49-R88 VanDerWaalsContact CA-O 3.27Å; T49-R88 WeakPolarHBondContact CA-O 3.34Å; E50-R88 HydrophobicContact CG-CB 3.97Å; E50-R88 HydrophobicContact CG-CG 4.44Å; E50-R88 PolarHBondContact N-O 3.5Å; E50-R88 PolarHBondContact O-N 2.81Å; E50-R88 WeakPolarHBondContact OE1-CD 3.27Å; E50-R88 IonicContact OE1-CZ 3.35Å; E50-R88 IonicContact OE1-NE 3.36Å; E50-R88 IonicContact OE1-NH1 3.79Å; E50-R88 PolarHBondContact OE1-NH1 3.31Å; S52-R88 PolarHBondContact O-NH2 2.8Å; L59-R88 HydrophobicContact CD2-CG 4.29Å; N82-R88 WeakPolarHBondContact O-CA 3.48Å
89Y95.3Very high94.4Very high0 Ų034.3 Ų34.30%017%0.17CC..EExtended strand (participates in β ladder)trans-139.3149.4179.868.1-96.4000112.8M14 R15 W18 M47 K48 M81 N82 V91M14-Y89 HydrophobicContact CB-CE1 3.96Å; M14-Y89 HydrophobicContact CE-CD1 3.64Å; M14-Y89 HydrophobicContact CE-CE1 3.85Å; R15-Y89 WeakPolarHBondContact CG-OH 3.46Å; W18-Y89 AromaticContact CD1-CE2 3.9Å; M47-Y89 HydrophobicContact CE-CD2 3.76Å; M47-Y89 HydrophobicContact CE-CE2 4.07Å; M47-Y89 HydrophobicContact CE-CG 4.13Å; M47-Y89 HydrophobicContact CG-CD2 4.26Å; M47-Y89 HydrophobicContact CG-CG 4.32Å; M47-Y89 HydrophobicContact SD-CD2 4.24Å; M47-Y89 HydrophobicContact SD-CG 4.09Å; K48-Y89 CarbonylContact O-C 3.48Å; K48-Y89 VanDerWaalsContact O-CA 3.23Å; K48-Y89 WeakPolarHBondContact O-CA 3.35Å; M81-Y89 VanDerWaalsContact CA-O 3.29Å; M81-Y89 WeakPolarHBondContact CA-O 3.49Å; M81-Y89 WeakPolarHBondContact CG-O 3.34Å; N82-Y89 HydrophobicContact CB-CE1 3.7Å; N82-Y89 HydrophobicContact CB-CE2 3.97Å; N82-Y89 VanDerWaalsContact CB-OH 3.23Å; N82-Y89 WeakPolarHBondContact CB-OH 3.43Å; N82-Y89 PolarHBondContact N-O 3.47Å; N82-Y89 PolarHBondContact O-N 2.91Å; Y89-V91 HydrophobicContact CD2-CG2 3.62Å; Y89-V91 HydrophobicContact CE2-CG2 3.77Å
90L96.1Very high94.4Very high2 Ų231.5 Ų31.51%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-119.8126.5171.3165.862.7000107.3M47 K48 L59 A63 L66 Y78 D80M47-L90 CarbonylContact C-O 3.55Å; M47-L90 VanDerWaalsContact CA-O 3.3Å; M47-L90 WeakPolarHBondContact CA-O 3.39Å; K48-L90 PolarHBondContact N-O 3.04Å; K48-L90 PolarHBondContact O-N 3.18Å; L59-L90 HydrophobicContact CD1-CB 3.78Å; L59-L90 HydrophobicContact CD1-CD2 4.08Å; L59-L90 HydrophobicContact CD2-CB 4.16Å; L59-L90 HydrophobicContact CG-CB 3.9Å; A63-L90 HydrophobicContact CB-CD1 3.96Å; A63-L90 HydrophobicContact CB-CD2 4.27Å; L66-L90 HydrophobicContact CD2-CD2 4.46Å; Y78-L90 HydrophobicContact CD2-CD1 3.66Å; Y78-L90 HydrophobicContact CE2-CD1 3.53Å; D80-L90 WeakPolarHBondContact O-CD1 3.4Å
91V96.8Very high94.3Very high0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-107.2129.9173.9-163.70000109.7W18 V35 A46 M47 Y79 D80 Y89W18-V91 HydrophobicContact CD2-CB 4.36Å; W18-V91 HydrophobicContact CD2-CG1 3.99Å; W18-V91 HydrophobicContact CD2-CG2 3.91Å; W18-V91 HydrophobicContact CE3-CG1 3.78Å; W18-V91 HydrophobicContact CG-CG2 4.01Å; W18-V91 HydrophobicContact CH2-CB 4.43Å; W18-V91 HydrophobicContact CH2-CG1 3.84Å; W18-V91 HydrophobicContact CZ2-CB 4.16Å; W18-V91 HydrophobicContact CZ2-CG1 4.05Å; W18-V91 HydrophobicContact CZ2-CG2 4.39Å; W18-V91 HydrophobicContact CZ3-CG1 3.68Å; V35-V91 HydrophobicContact CG2-CG1 3.72Å; A46-V91 WeakPolarHBondContact O-CA 3.29Å; M47-V91 HydrophobicContact CB-CG2 4.43Å; M47-V91 HydrophobicContact CE-CG2 3.8Å; M47-V91 HydrophobicContact CG-CG2 4.28Å; Y79-V91 WeakPolarHBondContact CA-O 3.48Å; Y79-V91 WeakPolarHBondContact CB-O 3.49Å; Y79-V91 HydrophobicContact CD2-CG1 4.11Å; Y79-V91 PolarHBondContact N-O 3.09Å; D80-V91 HydrophobicContact CB-CB 4.23Å; D80-V91 HydrophobicContact CB-CG2 4.26Å; D80-V91 PolarHBondContact N-O 3.36Å; D80-V91 VanDerWaalsContact N-O 3.15Å; D80-V91 PolarHBondContact O-N 3.49Å; Y89-V91 HydrophobicContact CD2-CG2 3.62Å; Y89-V91 HydrophobicContact CE2-CG2 3.77Å
92M96.6Very high94.2Very high24 Ų2428.6 Ų28.612%0.11815%0.145CC..EExtended strand (participates in β ladder)trans-141.8170.3-17962.2-172.3176.500111.2G45 A46 L66 L76 K77 Y79 L94G45-M92 CarbonylContact C-O 3.56Å; G45-M92 WeakPolarHBondContact CA-O 3.38Å; A46-M92 HydrophobicContact CB-CE 4.22Å; A46-M92 HydrophobicContact CB-CG 4.17Å; A46-M92 PolarHBondContact N-O 3.03Å; A46-M92 PolarHBondContact O-N 3.38Å; L66-M92 HydrophobicContact CD2-CB 4.1Å; L66-M92 HydrophobicContact CD2-SD 4.26Å; L76-M92 HydrophobicContact CD1-CE 4.5Å; L76-M92 HydrophobicContact CD1-CG 4.46Å; L76-M92 HydrophobicContact CD1-SD 4.11Å; K77-M92 CarbonylContact O-C 3.54Å; K77-M92 WeakPolarHBondContact O-CA 3.18Å; K77-M92 WeakPolarHBondContact O-CB 3.39Å; Y79-M92 VanDerWaalsContact CE2-C 3.5Å; M92-L94 PolarHBondContact O-N 3.41Å
93Q95.5Very high94.2Very high21 Ų2126.4 Ų26.410%0.09813%0.132CC..EExtended strand (participates in β ladder)trans-53.1134.4171.7177.3-179.9-0.800111L76 K77 Y79 A95 D153L76-Q93 HydrophobicContact CB-CB 4.1Å; L76-Q93 WeakPolarHBondContact CD1-O 3.44Å; L76-Q93 HydrophobicContact CD2-CB 3.99Å; L76-Q93 HydrophobicContact CD2-CG 3.95Å; K77-Q93 HydrophobicContact CB-CB 4.13Å; K77-Q93 PolarHBondContact O-N 2.99Å; Y79-Q93 HydrophobicContact CE2-CB 4.37Å; Q93-A95 PolarHBondContact O-N 3.14Å; Q93-D153 PolarHBondContact NE2-OD2 3.04Å
94L95.2Very high94.1Very high11 Ų1129.1 Ų29.16%0.05814%0.135CC..PPolyproline II helixtrans-76121.5172.3-177.655.5000109.6L24 T34 E44 A46 M92 R149 P314 Y315L24-L94 HydrophobicContact CD1-CD1 4.03Å; T34-L94 HydrophobicContact CG2-CD2 3.67Å; E44-L94 HydrophobicContact CB-CD2 4.2Å; E44-L94 WeakPolarHBondContact O-CB 3.31Å; A46-L94 HydrophobicContact CB-CD1 3.94Å; M92-L94 PolarHBondContact O-N 3.41Å; L94-R149 WeakPolarHBondContact O-CD 3.5Å; L94-P314 HydrophobicContact CD1-CG 3.89Å; L94-Y315 HydrophobicContact CD1-CE2 3.53Å
95A94.4Very high94Very high3 Ų329 Ų293%0.02514%0.144CC..PPolyproline II helixtrans-77.7165.3176.600000112.1L76 Q93 A146 P314 Y315L76-A95 HydrophobicContact CD1-CB 4.28Å; L76-A95 HydrophobicContact CD2-CB 4.08Å; Q93-A95 PolarHBondContact O-N 3.14Å; A95-A146 HydrophobicContact CB-CB 3.85Å; A95-P314 WeakPolarHBondContact O-CB 3.41Å; A95-P314 WeakPolarHBondContact O-CG 3.29Å; A95-Y315 HydrophobicContact CB-CE1 4.4Å; A95-Y315 PolarHBondContact N-OH 3.48Å
96G94Very high94.1Very high12 Ų1221.5 Ų21.512%0.12411%0.109CC..  trans-82.3-162.2163.100000111.8A146 M147 P314G96-A146 WeakPolarHBondContact O-CB 3.15Å; G96-M147 CarbonylContact C-O 3.6Å; G96-M147 WeakPolarHBondContact CA-O 3.16Å; G96-M147 PolarHBondContact N-O 3.15Å; G96-P314 WeakPolarHBondContact O-CB 3.44Å
97R93.6Very high94.1Very high61 Ų6120.1 Ų20.123%0.2310%0.104CC..  trans-65.7142.2-173.5-66.4171.862.6-165.7-0.4112.2D101 L102 A146 M147R97-D101 PolarHBondContact NH2-O 2.88Å; R97-L102 HydrophobicContact CB-CD1 4.24Å; R97-L102 HydrophobicContact CB-CD2 3.88Å; R97-L102 HydrophobicContact CB-CG 3.79Å; R97-L102 WeakPolarHBondContact O-CD1 3.43Å; R97-A146 WeakPolarHBondContact O-CA 3.35Å; R97-M147 PolarHBondContact O-N 3.32Å
98N95.3Very high94Very high0 Ų026.9 Ų26.90%014%0.14CC..BIsolated β-bridgetrans-75.5159.8172.770.566.3000112.9T100 D101 L102 F145 A146 P314N98-T100 VanDerWaalsContact C-N 3.27Å; N98-T100 PolarHBondContact O-N 2.96Å; N98-T100 WeakPolarHBondContact OD1-CA 3.5Å; N98-T100 VanDerWaalsContact OD1-CB 3.28Å; N98-T100 WeakPolarHBondContact OD1-CB 3.42Å; N98-T100 PolarHBondContact OD1-N 3.16Å; N98-T100 VanDerWaalsContact OD1-N 3.09Å; N98-D101 PolarHBondContact ND2-OD2 3.31Å; N98-D101 PolarHBondContact O-N 3.46Å; N98-D101 PolarHBondContact OD1-N 3.43Å; N98-D101 PolarHBondContact OD1-OD2 2.92Å; N98-L102 WeakPolarHBondContact O-CG 3.44Å; N98-L102 PolarHBondContact O-N 3.31Å; N98-F145 CarbonylContact C-O 3.45Å; N98-F145 WeakPolarHBondContact CA-O 3.43Å; N98-F145 WeakPolarHBondContact CB-O 3.42Å; N98-A146 HydrophobicContact CB-CB 4.29Å; N98-P314 PolarHBondContact ND2-O 2.96Å
99L96.6Very high94.1Very high0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-65.8-28.1-175.5-60.5-174.3000113.1L102 R103 L119 P142 F145 M147 L157 M213 L217 W295L99-L102 HydrophobicContact CD2-CD1 4.18Å; L99-R103 WeakPolarHBondContact O-CB 3.26Å; L99-R103 PolarHBondContact O-N 3.13Å; L99-L119 HydrophobicContact CD1-CD1 4.28Å; L99-L119 HydrophobicContact CD1-CD2 4.38Å; L99-L119 HydrophobicContact CD2-CD1 3.99Å; L99-L119 HydrophobicContact CD2-CD2 3.79Å; L99-P142 HydrophobicContact CB-CB 3.71Å; L99-P142 WeakPolarHBondContact CB-O 3.48Å; L99-P142 PolarHBondContact N-O 3.49Å; L99-P142 VanDerWaalsContact N-O 3.15Å; L99-F145 HydrophobicContact CD1-CB 3.8Å; L99-F145 HydrophobicContact CG-CB 3.93Å; L99-F145 PolarHBondContact N-O 3.32Å; L99-M147 HydrophobicContact CD2-SD 4.15Å; L99-L157 HydrophobicContact CD1-CD1 3.84Å; L99-L157 HydrophobicContact CD2-CD1 4.31Å; L99-L157 HydrophobicContact CG-CD1 4.36Å; L99-M213 HydrophobicContact CD1-SD 4.44Å; L99-L217 HydrophobicContact CB-CD2 4.44Å; L99-L217 HydrophobicContact CD1-CD1 4.17Å; L99-W295 HydrophobicContact CD2-CH2 4.42Å
100T95.4Very high94.1Very high3 Ų334.5 Ų34.52%0.01818%0.175CC..Hα-helixtrans-63.6-47.5174.5-62.50000110.3N98 R103 R104 P142 S143N98-T100 VanDerWaalsContact C-N 3.27Å; N98-T100 PolarHBondContact O-N 2.96Å; N98-T100 WeakPolarHBondContact OD1-CA 3.5Å; N98-T100 VanDerWaalsContact OD1-CB 3.28Å; N98-T100 WeakPolarHBondContact OD1-CB 3.42Å; N98-T100 PolarHBondContact OD1-N 3.16Å; N98-T100 VanDerWaalsContact OD1-N 3.09Å; T100-R103 PolarHBondContact O-N 3.26Å; T100-R104 WeakPolarHBondContact O-CG 3.38Å; T100-R104 PolarHBondContact O-N 2.75Å; T100-P142 WeakPolarHBondContact OG1-CB 3.23Å; T100-S143 PolarHBondContact OG1-N 3.11Å; T100-S143 VanDerWaalsContact OG1-N 3.07Å
101D93Very high94.1Very high20 Ų2034.4 Ų34.411%0.10717%0.174CC..Hα-helixtrans-73.4-34.6-178.2-64.7-26.9000112.1R97 N98 R104 A105 S317R97-D101 PolarHBondContact NH2-O 2.88Å; N98-D101 PolarHBondContact ND2-OD2 3.31Å; N98-D101 PolarHBondContact O-N 3.46Å; N98-D101 PolarHBondContact OD1-N 3.43Å; N98-D101 PolarHBondContact OD1-OD2 2.92Å; D101-R104 IonicContact OD1-NH1 3.29Å; D101-A105 PolarHBondContact O-N 3.36Å; D101-S317 WeakPolarHBondContact OD1-CB 3.43Å; D101-S317 PolarHBondContact OD1-OG 2.9Å
102L94.1Very high94.1Very high5 Ų538.5 Ų38.53%0.02619%0.192CC..Hα-helixtrans-63.8-45.9171.7-72.1168000111.1R97 N98 L99 R104 A105 V106 F111 M147 W295R97-L102 HydrophobicContact CB-CD1 4.24Å; R97-L102 HydrophobicContact CB-CD2 3.88Å; R97-L102 HydrophobicContact CB-CG 3.79Å; R97-L102 WeakPolarHBondContact O-CD1 3.43Å; N98-L102 WeakPolarHBondContact O-CG 3.44Å; N98-L102 PolarHBondContact O-N 3.31Å; L99-L102 HydrophobicContact CD2-CD1 4.18Å; L102-R104 PolarHBondContact O-N 3.48Å; L102-A105 PolarHBondContact O-N 2.88Å; L102-A105 VanDerWaalsContact O-N 3.15Å; L102-V106 PolarHBondContact O-N 3.18Å; L102-F111 HydrophobicContact CB-CZ 3.91Å; L102-M147 HydrophobicContact CD1-CB 4.44Å; L102-M147 HydrophobicContact CD1-CG 3.51Å; L102-W295 HydrophobicContact CB-CD2 4.34Å; L102-W295 HydrophobicContact CB-CE3 4.06Å; L102-W295 HydrophobicContact CB-CZ3 4.46Å; L102-W295 HydrophobicContact CD1-CD2 4.09Å; L102-W295 HydrophobicContact CD1-CE3 4.34Å; L102-W295 HydrophobicContact CD1-CH2 4.31Å; L102-W295 HydrophobicContact CD1-CZ2 4.04Å; L102-W295 HydrophobicContact CD1-CZ3 4.45Å; L102-W295 HydrophobicContact CD2-CB 4.01Å; L102-W295 HydrophobicContact CD2-CD2 3.85Å; L102-W295 HydrophobicContact CD2-CE3 4.41Å; L102-W295 HydrophobicContact CD2-CG 3.65Å; L102-W295 HydrophobicContact CG-CD2 4.32Å
103R94.5Very high94Very high11 Ų1138.5 Ų38.54%0.04219%0.194CC..Hα-helixtrans-63-41.6178.7-175.1177.169.878.4-8.4111.9L99 T100 A105 V106 Q109 F111 E216 L217 G220L99-R103 WeakPolarHBondContact O-CB 3.26Å; L99-R103 PolarHBondContact O-N 3.13Å; T100-R103 PolarHBondContact O-N 3.26Å; R103-A105 PolarHBondContact O-N 3.06Å; R103-V106 VanDerWaalsContact O-CG2 3.22Å; R103-V106 WeakPolarHBondContact O-CG2 3.33Å; R103-V106 PolarHBondContact O-N 3.36Å; R103-Q109 WeakPolarHBondContact CD-O 3.39Å; R103-Q109 HydrophobicContact CG-CB 4.5Å; R103-Q109 WeakPolarHBondContact CG-O 3.47Å; R103-Q109 PolarHBondContact NH1-O 3.34Å; R103-Q109 VanDerWaalsContact O-CA 3.23Å; R103-Q109 WeakPolarHBondContact O-CA 3.45Å; R103-F111 VanDerWaalsContact CA-CZ 3.46Å; R103-F111 HydrophobicContact CB-CE1 4.14Å; R103-F111 HydrophobicContact CB-CE2 4.07Å; R103-F111 HydrophobicContact CB-CZ 3.7Å; R103-F111 HydrophobicContact CG-CZ 4.45Å; R103-E216 IonicContact CZ-OE2 2.72Å; R103-E216 IonicContact NE-OE2 3.43Å; R103-E216 PolarHBondContact NE-OE2 3.33Å; R103-E216 VanDerWaalsContact NH2-CD 3.32Å; R103-E216 IonicContact NH2-OE1 3.97Å; R103-E216 IonicContact NH2-OE2 2.75Å; R103-E216 PolarHBondContact NH2-OE2 3.31Å; R103-L217 HydrophobicContact CB-CD2 4.32Å; R103-G220 PolarHBondContact NH1-O 3.31Å
104R92Very high94.1Very high116 Ų11638.2 Ų38.244%0.43819%0.193SC..Hα-helixtrans-62.7-24.9177.8-76.6177.7-176.6154.29.6113.3T100 D101 L102 S317T100-R104 WeakPolarHBondContact O-CG 3.38Å; T100-R104 PolarHBondContact O-N 2.75Å; D101-R104 IonicContact OD1-NH1 3.29Å; L102-R104 PolarHBondContact O-N 3.48Å; R104-S317 PolarHBondContact NH1-OG 3.42Å
105A90.3Very high94.2Very high51 Ų5137.7 Ų37.742%0.42119%0.19SC..Hα-helixtrans-88.5-17.4-177.100000114.5D101 L102 R103D101-A105 PolarHBondContact O-N 3.36Å; L102-A105 PolarHBondContact O-N 2.88Å; L102-A105 VanDerWaalsContact O-N 3.15Å; R103-A105 PolarHBondContact O-N 3.06Å
106V91.1Very high94.4Very high9 Ų937.6 Ų37.66%0.05519%0.189CC..SBendtrans-85.1152.1176.5-62.20000111.4L102 R103 L108 Q109 F111 D294 W295L102-V106 PolarHBondContact O-N 3.18Å; R103-V106 VanDerWaalsContact O-CG2 3.22Å; R103-V106 WeakPolarHBondContact O-CG2 3.33Å; R103-V106 PolarHBondContact O-N 3.36Å; V106-L108 PolarHBondContact O-N 3.13Å; V106-Q109 WeakPolarHBondContact O-CA 3.46Å; V106-Q109 PolarHBondContact O-N 3.23Å; V106-F111 HydrophobicContact CG1-CD1 4.3Å; V106-F111 HydrophobicContact CG1-CE1 3.99Å; V106-F111 HydrophobicContact CG2-CD1 3.73Å; V106-F111 HydrophobicContact CG2-CE1 3.75Å; V106-D294 HydrophobicContact CG1-CB 4.05Å; V106-W295 HydrophobicContact CG1-CB 4.47Å
107P90.2Very high94.6Very high49 Ų4937.1 Ų37.132%0.31818%0.184SC..G310 helixtrans-45.6138173.5-31.334.1000113.8Q109 K110 S301 M303P107-Q109 PolarHBondContact O-N 2.98Å; P107-K110 PolarHBondContact O-N 3.37Å; P107-S301 WeakPolarHBondContact CD-O 3.47Å; P107-M303 HydrophobicContact CG-CE 4.23Å; P107-M303 HydrophobicContact CG-CG 3.78Å; P107-M303 HydrophobicContact CG-SD 3.84Å
108L90.9Very high94.8Very high149 Ų14934.3 Ų34.378%0.7817%0.173SC*.G310 helixtrans585.9-178.5-52.6176.3000114.9V106 K110V106-L108 PolarHBondContact O-N 3.13Å; L108-K110 HydrophobicContact CB-CD 4.33Å; L108-K110 HydrophobicContact CB-CG 4.36Å; L108-K110 WeakPolarHBondContact O-CG 3.44Å; L108-K110 PolarHBondContact O-N 3.43Å
109Q94.5Very high95Very high94 Ų9434.3 Ų34.344%0.43917%0.173SC..G310 helixtrans54.337.9-172.8-50.3-178.911.700113.6R103 V106 P107 G220R103-Q109 WeakPolarHBondContact CD-O 3.39Å; R103-Q109 HydrophobicContact CG-CB 4.5Å; R103-Q109 WeakPolarHBondContact CG-O 3.47Å; R103-Q109 PolarHBondContact NH1-O 3.34Å; R103-Q109 VanDerWaalsContact O-CA 3.23Å; R103-Q109 WeakPolarHBondContact O-CA 3.45Å; V106-Q109 WeakPolarHBondContact O-CA 3.46Å; V106-Q109 PolarHBondContact O-N 3.23Å; P107-Q109 PolarHBondContact O-N 2.98Å; Q109-G220 WeakPolarHBondContact O-CA 3.33Å
110K95.6Very high95.1Very high84 Ų8434.4 Ų34.437%0.36517%0.174SC..  trans-129128.1-177.3-67-179.4-162.3-160.50110.1P107 L108 R218 N219P107-K110 PolarHBondContact O-N 3.37Å; L108-K110 HydrophobicContact CB-CD 4.33Å; L108-K110 HydrophobicContact CB-CG 4.36Å; L108-K110 WeakPolarHBondContact O-CG 3.44Å; L108-K110 PolarHBondContact O-N 3.43Å; K110-R218 WeakPolarHBondContact CB-O 3.36Å; K110-N219 WeakPolarHBondContact CE-O 3.4Å; K110-N219 PolarHBondContact NZ-O 3.44Å
111F96.7Very high95.2Very high0 Ų034.6 Ų34.60%018%0.175CC..  trans-75.1153163.8-64.5-31000111L102 R103 V106 T115 L119 L217 R218 D294 W295L102-F111 HydrophobicContact CB-CZ 3.91Å; R103-F111 VanDerWaalsContact CA-CZ 3.46Å; R103-F111 HydrophobicContact CB-CE1 4.14Å; R103-F111 HydrophobicContact CB-CE2 4.07Å; R103-F111 HydrophobicContact CB-CZ 3.7Å; R103-F111 HydrophobicContact CG-CZ 4.45Å; V106-F111 HydrophobicContact CG1-CD1 4.3Å; V106-F111 HydrophobicContact CG1-CE1 3.99Å; V106-F111 HydrophobicContact CG2-CD1 3.73Å; V106-F111 HydrophobicContact CG2-CE1 3.75Å; F111-T115 HydrophobicContact CB-CG2 3.77Å; F111-T115 HydrophobicContact CD1-CG2 4.07Å; F111-T115 HydrophobicContact CD2-CG2 3.89Å; F111-T115 HydrophobicContact CG-CG2 3.66Å; F111-L119 HydrophobicContact CD2-CD1 3.85Å; F111-L119 HydrophobicContact CE2-CD1 3.81Å; F111-L217 HydrophobicContact CD2-CB 3.95Å; F111-L217 HydrophobicContact CD2-CD1 4.31Å; F111-L217 HydrophobicContact CD2-CD2 3.9Å; F111-L217 HydrophobicContact CD2-CG 4.25Å; F111-L217 HydrophobicContact CE2-CD1 4.44Å; F111-L217 HydrophobicContact CE2-CD2 3.67Å; F111-L217 HydrophobicContact CE2-CG 4.43Å; F111-L217 PolarHBondContact N-O 3.46Å; F111-R218 WeakPolarHBondContact O-CD 3.24Å; F111-R218 PolarHBondContact O-NH1 3.1Å; F111-D294 WeakPolarHBondContact CA-OD2 3.46Å; F111-D294 WeakPolarHBondContact CB-OD2 3.3Å; F111-D294 HydrophobicContact CD1-CB 3.98Å; F111-D294 WeakPolarHBondContact CD1-OD2 3.23Å; F111-W295 HydrophobicContact CD1-CE3 4.25Å; F111-W295 HydrophobicContact CD1-CZ3 4.11Å; F111-W295 HydrophobicContact CD2-CZ3 4.31Å; F111-W295 AromaticContact CE1-CE3 3.52Å; F111-W295 HydrophobicContact CE1-CE3 3.52Å; F111-W295 AromaticContact CE1-CZ3 3.55Å; F111-W295 HydrophobicContact CE1-CZ3 3.55Å; F111-W295 AromaticContact CE2-CZ3 3.75Å; F111-W295 HydrophobicContact CE2-CZ3 3.75Å; F111-W295 AromaticContact CZ-CE3 3.68Å; F111-W295 HydrophobicContact CZ-CE3 3.68Å; F111-W295 HydrophobicContact CZ-CH2 4.46Å; F111-W295 AromaticContact CZ-CZ3 3.34Å; F111-W295 HydrophobicContact CZ-CZ3 3.34Å
112K95.9Very high95.5Very high85 Ų8534.8 Ų34.837%0.3718%0.175SC..  trans-73.2164.2168.2-58.5-63.4-178.7165.90109.8N114 T115 T116 D294 D300 S301K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 3.48Å; K112-T115 PolarHBondContact O-N 3.09Å; K112-T116 WeakPolarHBondContact O-CB 3.24Å; K112-T116 PolarHBondContact O-N 2.7Å; K112-T116 PolarHBondContact O-OG1 3.36Å; K112-D294 VanDerWaalsContact CG-OD1 3.31Å; K112-D294 WeakPolarHBondContact CG-OD1 3.39Å; K112-D294 PolarHBondContact N-OD2 2.97Å; K112-D300 HydrophobicContact CD-CB 4.38Å; K112-D300 HydrophobicContact CG-CB 3.75Å; K112-S301 VanDerWaalsContact CE-OG 3.26Å; K112-S301 WeakPolarHBondContact CE-OG 3.28Å
113T96.2Very high95.7Very high25 Ų2534.6 Ų34.615%0.15317%0.174CC..Hα-helixtrans-59-42.9-179-55.20000111.5T116 I117 R218 P250 Y287T113-T116 PolarHBondContact O-N 3.43Å; T113-I117 HydrophobicContact CG2-CD1 3.53Å; T113-I117 HydrophobicContact CG2-CG1 4.23Å; T113-I117 WeakPolarHBondContact O-CD1 3.45Å; T113-I117 VanDerWaalsContact O-CG1 3.24Å; T113-I117 WeakPolarHBondContact O-CG1 3.16Å; T113-I117 PolarHBondContact O-N 3.47Å; T113-R218 PolarHBondContact OG1-NE 2.85Å; T113-P250 HydrophobicContact CG2-CG 3.89Å; T113-Y287 HydrophobicContact CG2-CE2 4.06Å
114N96.6Very high96Very high14 Ų1434 Ų348%0.07517%0.172CC..Hα-helixtrans-56.3-57.8177.8-1789.1000112.1K112 T116 I117 R118 Y287 S291K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 3.48Å; N114-T116 VanDerWaalsContact C-N 3.31Å; N114-T116 PolarHBondContact O-N 3.35Å; N114-I117 PolarHBondContact O-N 3.08Å; N114-R118 PolarHBondContact O-N 3.21Å; N114-R118 VanDerWaalsContact O-N 3.15Å; N114-R118 PolarHBondContact OD1-NE 3.37Å; N114-Y287 HydrophobicContact CB-CD1 3.86Å; N114-Y287 HydrophobicContact CB-CD2 3.88Å; N114-Y287 HydrophobicContact CB-CE1 4.01Å; N114-Y287 HydrophobicContact CB-CE2 4.03Å; N114-Y287 HydrophobicContact CB-CG 3.8Å; N114-S291 VanDerWaalsContact ND2-CB 3.3Å; N114-S291 WeakPolarHBondContact ND2-CB 3.23Å
115T97.9Very high96.3Very high0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-54.6-46.3176.3-68.30000111.9F111 K112 I117 R118 L119 Y293 D294 W295F111-T115 HydrophobicContact CB-CG2 3.77Å; F111-T115 HydrophobicContact CD1-CG2 4.07Å; F111-T115 HydrophobicContact CD2-CG2 3.89Å; F111-T115 HydrophobicContact CG-CG2 3.66Å; K112-T115 PolarHBondContact O-N 3.09Å; T115-I117 PolarHBondContact O-N 2.74Å; T115-R118 PolarHBondContact O-N 2.93Å; T115-L119 HydrophobicContact CG2-CD1 3.9Å; T115-L119 HydrophobicContact CG2-CG 4.45Å; T115-L119 WeakPolarHBondContact O-CB 3.34Å; T115-L119 VanDerWaalsContact O-CG 3.27Å; T115-L119 WeakPolarHBondContact O-CG 3.21Å; T115-L119 PolarHBondContact O-N 3.28Å; T115-Y293 HydrophobicContact CG2-CD1 3.74Å; T115-Y293 HydrophobicContact CG2-CE1 4.44Å; T115-D294 WeakPolarHBondContact CB-OD2 3.44Å; T115-D294 HydrophobicContact CG2-CB 4.34Å; T115-D294 WeakPolarHBondContact CG2-OD2 3.45Å; T115-D294 PolarHBondContact OG1-N 2.98Å; T115-D294 VanDerWaalsContact OG1-N 3.11Å; T115-D294 PolarHBondContact OG1-OD1 3.05Å; T115-D294 VanDerWaalsContact OG1-OD1 3.04Å; T115-D294 PolarHBondContact OG1-OD2 2.9Å; T115-D294 VanDerWaalsContact OG1-OD2 3.12Å; T115-W295 HydrophobicContact CG2-CE3 4.46Å; T115-W295 HydrophobicContact CG2-CH2 4.01Å; T115-W295 HydrophobicContact CG2-CZ3 3.59Å
116T98.1Very high96.7Very high2 Ų227.7 Ų27.71%0.01214%0.138CC..Hα-helixtrans-60.6-46.6-179-54.20000111.6K112 T113 N114 L119 V120 A214 L217 R218K112-T116 WeakPolarHBondContact O-CB 3.24Å; K112-T116 PolarHBondContact O-N 2.7Å; K112-T116 PolarHBondContact O-OG1 3.36Å; T113-T116 PolarHBondContact O-N 3.43Å; N114-T116 VanDerWaalsContact C-N 3.31Å; N114-T116 PolarHBondContact O-N 3.35Å; T116-L119 PolarHBondContact O-N 3.44Å; T116-V120 HydrophobicContact CG2-CG2 4.48Å; T116-V120 VanDerWaalsContact O-CG2 3.28Å; T116-V120 WeakPolarHBondContact O-CG2 3.32Å; T116-V120 PolarHBondContact O-N 2.78Å; T116-A214 HydrophobicContact CG2-CB 4.22Å; T116-L217 HydrophobicContact CG2-CB 4.39Å; T116-R218 HydrophobicContact CG2-CB 4.17Å
117I98.2Very high97.1Very high1 Ų127.3 Ų27.31%0.00514%0.136CC..Hα-helixtrans-65.8-45.3-176.7-66.2162.4000111.2T113 N114 T115 L119 V120 I121 F253 M278 L281 M282 Y287T113-I117 HydrophobicContact CG2-CD1 3.53Å; T113-I117 HydrophobicContact CG2-CG1 4.23Å; T113-I117 WeakPolarHBondContact O-CD1 3.45Å; T113-I117 VanDerWaalsContact O-CG1 3.24Å; T113-I117 WeakPolarHBondContact O-CG1 3.16Å; T113-I117 PolarHBondContact O-N 3.47Å; N114-I117 PolarHBondContact O-N 3.08Å; T115-I117 PolarHBondContact O-N 2.74Å; I117-L119 VanDerWaalsContact C-N 3.32Å; I117-L119 PolarHBondContact O-N 3.22Å; I117-V120 WeakPolarHBondContact O-CB 3.32Å; I117-V120 PolarHBondContact O-N 3.15Å; I117-V120 VanDerWaalsContact O-N 3.11Å; I117-I121 HydrophobicContact CG2-CD1 4.36Å; I117-I121 PolarHBondContact O-N 3.1Å; I117-F253 HydrophobicContact CG1-CE2 4.47Å; I117-M278 HydrophobicContact CG2-CB 3.71Å; I117-M278 HydrophobicContact CG2-CG 4.27Å; I117-M278 HydrophobicContact CG2-SD 4.13Å; I117-L281 HydrophobicContact CD1-CD2 3.38Å; I117-L281 HydrophobicContact CD1-CG 3.63Å; I117-L281 HydrophobicContact CG1-CD2 4Å; I117-M282 HydrophobicContact CB-CG 4.41Å; I117-M282 HydrophobicContact CG2-CG 3.66Å; I117-M282 HydrophobicContact CG2-SD 4Å; I117-Y287 HydrophobicContact CD1-CD2 4.31Å; I117-Y287 HydrophobicContact CD1-CE2 4.17Å
118R98.2Very high97.5Very high2 Ų228.4 Ų28.41%0.00813%0.134CC..Hα-helixtrans-63.4-38.6178.6-73.5-174.2-65.4131.3-0.3112.3N114 T115 I121 Q122 M282 E289 S291 P292 Y293N114-R118 PolarHBondContact O-N 3.21Å; N114-R118 VanDerWaalsContact O-N 3.15Å; N114-R118 PolarHBondContact OD1-NE 3.37Å; T115-R118 PolarHBondContact O-N 2.93Å; R118-I121 PolarHBondContact O-N 3.24Å; R118-Q122 PolarHBondContact O-N 3.12Å; R118-M282 HydrophobicContact CG-CE 3.53Å; R118-M282 HydrophobicContact CG-SD 3.75Å; R118-E289 PolarHBondContact NH1-O 3Å; R118-S291 PolarHBondContact NH1-O 2.71Å; R118-S291 PolarHBondContact NH2-O 2.92Å; R118-P292 PolarHBondContact NH2-O 2.82Å; R118-P292 VanDerWaalsContact NH2-O 3.11Å; R118-Y293 HydrophobicContact CB-CE1 3.88Å; R118-Y293 VanDerWaalsContact CZ-CE1 3.48Å; R118-Y293 VanDerWaalsContact NH2-CD1 3.35Å
119L98.6Very high97.8Very high1 Ų122 Ų221%0.00510%0.1CC..Hα-helixtrans-63.3-41.8171.7-72.2175.1000112.2L99 F111 T115 T116 I117 I121 Q122 C123 M147 L157 L217 Y293 W295L99-L119 HydrophobicContact CD1-CD1 4.28Å; L99-L119 HydrophobicContact CD1-CD2 4.38Å; L99-L119 HydrophobicContact CD2-CD1 3.99Å; L99-L119 HydrophobicContact CD2-CD2 3.79Å; F111-L119 HydrophobicContact CD2-CD1 3.85Å; F111-L119 HydrophobicContact CE2-CD1 3.81Å; T115-L119 HydrophobicContact CG2-CD1 3.9Å; T115-L119 HydrophobicContact CG2-CG 4.45Å; T115-L119 WeakPolarHBondContact O-CB 3.34Å; T115-L119 VanDerWaalsContact O-CG 3.27Å; T115-L119 WeakPolarHBondContact O-CG 3.21Å; T115-L119 PolarHBondContact O-N 3.28Å; T116-L119 PolarHBondContact O-N 3.44Å; I117-L119 VanDerWaalsContact C-N 3.32Å; I117-L119 PolarHBondContact O-N 3.22Å; L119-I121 VanDerWaalsContact C-N 3.33Å; L119-I121 PolarHBondContact O-N 3.46Å; L119-Q122 PolarHBondContact O-N 2.95Å; L119-C123 WeakPolarHBondContact O-CB 3.29Å; L119-C123 PolarHBondContact O-N 3.25Å; L119-C123 PolarHBondContact O-SG 3.22Å; L119-M147 HydrophobicContact CD2-SD 4Å; L119-L157 HydrophobicContact CD2-CD1 3.65Å; L119-L217 HydrophobicContact CD1-CD1 4.12Å; L119-Y293 HydrophobicContact CD2-CE1 4.24Å; L119-Y293 HydrophobicContact CG-CE1 4.1Å; L119-W295 HydrophobicContact CD1-CH2 3.89Å; L119-W295 HydrophobicContact CD1-CZ3 4.19Å; L119-W295 HydrophobicContact CD2-CH2 4.03Å; L119-W295 HydrophobicContact CG-CH2 4.27Å
120V98.7Very high98.1Very high2 Ų217.5 Ų17.51%0.0128%0.079CC..Hα-helixtrans-60.5-42.8177.5167.40000111.3T116 I117 Q122 C123 V124 A214 F253 W256 M278T116-V120 HydrophobicContact CG2-CG2 4.48Å; T116-V120 VanDerWaalsContact O-CG2 3.28Å; T116-V120 WeakPolarHBondContact O-CG2 3.32Å; T116-V120 PolarHBondContact O-N 2.78Å; I117-V120 WeakPolarHBondContact O-CB 3.32Å; I117-V120 PolarHBondContact O-N 3.15Å; I117-V120 VanDerWaalsContact O-N 3.11Å; V120-Q122 PolarHBondContact O-N 3.33Å; V120-C123 PolarHBondContact O-N 3.02Å; V120-V124 HydrophobicContact CG1-CG2 4.22Å; V120-V124 VanDerWaalsContact O-CG2 3.3Å; V120-V124 WeakPolarHBondContact O-CG2 3.4Å; V120-V124 PolarHBondContact O-N 3.46Å; V120-A214 HydrophobicContact CG2-CB 3.48Å; V120-A214 VanDerWaalsContact CG2-CB 3.48Å; V120-F253 HydrophobicContact CG2-CE1 4.3Å; V120-F253 HydrophobicContact CG2-CZ 4.41Å; V120-W256 HydrophobicContact CG1-CH2 4.16Å; V120-W256 HydrophobicContact CG1-CZ3 3.88Å; V120-M278 HydrophobicContact CG1-CG 3.94Å; V120-M278 HydrophobicContact CG1-SD 4.15Å
121I98.8Very high98.2Very high7 Ų713.7 Ų13.74%0.0366%0.062CC..Hα-helixtrans-55-55.4176.2-69.5167.8000110I117 R118 L119 C123 V124 E125 I275 M278 R279 M282I117-I121 HydrophobicContact CG2-CD1 4.36Å; I117-I121 PolarHBondContact O-N 3.1Å; R118-I121 PolarHBondContact O-N 3.24Å; L119-I121 VanDerWaalsContact C-N 3.33Å; L119-I121 PolarHBondContact O-N 3.46Å; I121-C123 VanDerWaalsContact C-N 3.31Å; I121-C123 PolarHBondContact O-N 3.24Å; I121-V124 PolarHBondContact O-N 3.44Å; I121-V124 VanDerWaalsContact O-N 3.14Å; I121-E125 HydrophobicContact CG2-CG 4.47Å; I121-E125 WeakPolarHBondContact O-CG 3.41Å; I121-E125 PolarHBondContact O-N 3.12Å; I121-I275 HydrophobicContact CG2-CG2 4.17Å; I121-M278 HydrophobicContact CD1-CB 3.86Å; I121-M278 HydrophobicContact CG1-CB 3.52Å; I121-M278 HydrophobicContact CG1-CG 4.24Å; I121-R279 HydrophobicContact CD1-CG 3.98Å; I121-M282 HydrophobicContact CD1-SD 3.56Å; I121-M282 VanDerWaalsContact CD1-SD 3.56Å
122Q98.8Very high98.2Very high24 Ų2417.2 Ų17.211%0.1129%0.087CC..Hα-helixtrans-62.6-36.9-179.3-63.5-16564.200112.5H74 R118 L119 V120 E125 A126 R155 L157 Y293H74-Q122 PolarHBondContact CE1-OE1 2.84Å; H74-Q122 VanDerWaalsContact CE1-OE1 3.3Å; R118-Q122 PolarHBondContact O-N 3.12Å; L119-Q122 PolarHBondContact O-N 2.95Å; V120-Q122 PolarHBondContact O-N 3.33Å; Q122-E125 PolarHBondContact O-N 2.76Å; Q122-A126 WeakPolarHBondContact O-CB 3.4Å; Q122-A126 PolarHBondContact O-N 3.13Å; Q122-R155 PolarHBondContact NE2-O 3.2Å; Q122-L157 HydrophobicContact CB-CB 3.97Å; Q122-L157 HydrophobicContact CB-CD2 4.06Å; Q122-L157 HydrophobicContact CB-CG 4.47Å; Q122-Y293 PolarHBondContact NE2-OH 3.03Å
123C98.9Very high98.3Very high0 Ų014.3 Ų14.30%08%0.076CC..Hα-helixtrans-65-40.4176.1-67.60000112.1L119 V120 I121 T127 F145 T210 M213L119-C123 WeakPolarHBondContact O-CB 3.29Å; L119-C123 PolarHBondContact O-N 3.25Å; L119-C123 PolarHBondContact O-SG 3.22Å; V120-C123 PolarHBondContact O-N 3.02Å; I121-C123 VanDerWaalsContact C-N 3.31Å; I121-C123 PolarHBondContact O-N 3.24Å; C123-T127 WeakPolarHBondContact O-CB 3.44Å; C123-T127 PolarHBondContact O-N 2.96Å; C123-T127 PolarHBondContact O-OG1 3.01Å; C123-F145 HydrophobicContact CB-CE1 4.41Å; C123-F145 HydrophobicContact CB-CZ 4.34Å; C123-T210 HydrophobicContact CB-CG2 3.77Å; C123-M213 HydrophobicContact CB-CE 4.04Å; C123-M213 WeakPolarHBondContact SG-CE 3.28Å
124V98.9Very high98.4Very high0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-69.9-39.3177.6174.40000110.7V120 I121 T127 R128 L207 T210 W256 Y271 I274 I275V120-V124 HydrophobicContact CG1-CG2 4.22Å; V120-V124 VanDerWaalsContact O-CG2 3.3Å; V120-V124 WeakPolarHBondContact O-CG2 3.4Å; V120-V124 PolarHBondContact O-N 3.46Å; I121-V124 PolarHBondContact O-N 3.44Å; I121-V124 VanDerWaalsContact O-N 3.14Å; V124-T127 PolarHBondContact O-N 3.29Å; V124-R128 WeakPolarHBondContact O-CB 3.45Å; V124-R128 PolarHBondContact O-N 3.38Å; V124-L207 HydrophobicContact CG2-CD2 4.42Å; V124-T210 HydrophobicContact CG2-CG2 4.29Å; V124-W256 HydrophobicContact CG2-CH2 4.41Å; V124-W256 HydrophobicContact CG2-CZ2 4.46Å; V124-Y271 HydrophobicContact CG1-CD1 4.39Å; V124-I274 HydrophobicContact CG1-CB 4.32Å; V124-I274 HydrophobicContact CG1-CG2 4.35Å; V124-I274 HydrophobicContact CG2-CG2 3.95Å; V124-I275 HydrophobicContact CB-CG1 4.21Å; V124-I275 HydrophobicContact CG1-CD1 4.1Å; V124-I275 HydrophobicContact CG1-CG1 3.81Å
125E98.9Very high98.5Very high34 Ų3413.1 Ų13.116%0.1597%0.069CC..Hα-helixtrans-60.3-48173.7-72.1173.8150.600111.5H74 I121 Q122 T127 R128 D129 I275 R279H74-E125 IonicContact CE1-OE2 3.47Å; H74-E125 IonicContact NE2-OE2 3.82Å; H74-E125 PolarHBondContact NE2-OE2 3.44Å; I121-E125 HydrophobicContact CG2-CG 4.47Å; I121-E125 WeakPolarHBondContact O-CG 3.41Å; I121-E125 PolarHBondContact O-N 3.12Å; Q122-E125 PolarHBondContact O-N 2.76Å; E125-T127 VanDerWaalsContact C-N 3.34Å; E125-T127 PolarHBondContact O-N 3.27Å; E125-R128 WeakPolarHBondContact O-CB 3.24Å; E125-R128 PolarHBondContact O-N 3.29Å; E125-D129 PolarHBondContact O-N 3.07Å; E125-I275 HydrophobicContact CG-CD1 3.58Å; E125-I275 HydrophobicContact CG-CG1 4.3Å; E125-R279 IonicContact OE1-NH2 2.81Å
126A98.9Very high98.5Very high0 Ų013.2 Ų13.20%07%0.069CC..Hα-helixtrans-60.4-42.9174.500000112.1H74 F75 Q122 D129 I130 F145 M159H74-A126 HydrophobicContact CB-CB 3.54Å; F75-A126 HydrophobicContact CZ-CB 4.38Å; F75-A126 WeakPolarHBondContact CZ-O 3.23Å; Q122-A126 WeakPolarHBondContact O-CB 3.4Å; Q122-A126 PolarHBondContact O-N 3.13Å; A126-D129 PolarHBondContact O-N 3.33Å; A126-I130 PolarHBondContact O-N 3.19Å; A126-F145 HydrophobicContact CB-CE1 4.4Å; A126-M159 HydrophobicContact CB-CB 4.21Å; A126-M159 HydrophobicContact CB-CE 3.77Å
127T98.9Very high98.5Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-64.5-41.3178.2-56.70000111.6C123 V124 E125 D129 I130 H131 I140 D206 L207C123-T127 WeakPolarHBondContact O-CB 3.44Å; C123-T127 PolarHBondContact O-N 2.96Å; C123-T127 PolarHBondContact O-OG1 3.01Å; V124-T127 PolarHBondContact O-N 3.29Å; E125-T127 VanDerWaalsContact C-N 3.34Å; E125-T127 PolarHBondContact O-N 3.27Å; T127-D129 VanDerWaalsContact C-N 3.31Å; T127-D129 PolarHBondContact O-N 3.07Å; T127-I130 VanDerWaalsContact O-CG2 3.26Å; T127-I130 WeakPolarHBondContact O-CG2 3.38Å; T127-H131 WeakPolarHBondContact CG2-CE1 3.12Å; T127-H131 WeakPolarHBondContact O-CB 3.42Å; T127-H131 PolarHBondContact O-CD2 3.41Å; T127-H131 PolarHBondContact O-N 3.44Å; T127-H131 VanDerWaalsContact O-N 3.08Å; T127-H131 PolarHBondContact O-ND1 3.14Å; T127-I140 HydrophobicContact CG2-CD1 4.08Å; T127-I140 WeakPolarHBondContact OG1-CD1 3.27Å; T127-D206 HydrophobicContact CG2-CB 4Å; T127-L207 HydrophobicContact CG2-CD2 3.9Å; T127-L207 HydrophobicContact CG2-CG 4.46Å
128R98.8Very high98.4Very high73 Ų7315 Ų1528%0.2758%0.076SC..Hα-helixtrans-59.3-44173.4-179.2-174.166.3-164.9-6.6110.9V124 E125 H131 S132 Y271 D272V124-R128 WeakPolarHBondContact O-CB 3.45Å; V124-R128 PolarHBondContact O-N 3.38Å; E125-R128 WeakPolarHBondContact O-CB 3.24Å; E125-R128 PolarHBondContact O-N 3.29Å; R128-H131 PolarHBondContact O-N 2.88Å; R128-S132 WeakPolarHBondContact O-CB 3.44Å; R128-S132 PolarHBondContact O-N 3.46Å; R128-Y271 HydrophobicContact CB-CD1 3.74Å; R128-Y271 HydrophobicContact CB-CD2 4.17Å; R128-Y271 HydrophobicContact CB-CE1 4.25Å; R128-Y271 HydrophobicContact CB-CG 3.71Å; R128-Y271 HydrophobicContact CG-CD1 4.23Å; R128-Y271 HydrophobicContact CG-CD2 3.71Å; R128-Y271 HydrophobicContact CG-CE2 4.24Å; R128-Y271 HydrophobicContact CG-CG 3.71Å; R128-D272 IonicContact CZ-OD1 2.8Å; R128-D272 IonicContact NH1-OD1 3.12Å; R128-D272 PolarHBondContact NH1-OD1 3Å
129D98.8Very high98.3Very high14 Ų1415.3 Ų15.38%0.0758%0.077CC..Hα-helixtrans-67.9-42.8-177.5-82.3-26.4000113K72 F75 E125 A126 T127 H131 S132 I133K72-D129 HydrophobicContact CD-CB 4.34Å; K72-D129 HydrophobicContact CG-CB 4.3Å; K72-D129 IonicContact NZ-OD1 3.79Å; K72-D129 PolarHBondContact NZ-OD1 3.38Å; F75-D129 HydrophobicContact CE2-CB 3.61Å; F75-D129 HydrophobicContact CZ-CB 4.01Å; E125-D129 PolarHBondContact O-N 3.07Å; A126-D129 PolarHBondContact O-N 3.33Å; T127-D129 VanDerWaalsContact C-N 3.31Å; T127-D129 PolarHBondContact O-N 3.07Å; D129-H131 VanDerWaalsContact C-N 3.32Å; D129-H131 PolarHBondContact O-N 3.38Å; D129-S132 WeakPolarHBondContact O-CB 3.24Å; D129-S132 PolarHBondContact O-N 3.16Å; D129-S132 VanDerWaalsContact O-N 3.16Å; D129-S132 PolarHBondContact O-OG 3.47Å; D129-I133 PolarHBondContact O-N 3.37Å
130I98.8Very high98.3Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-64.9-37.8173.9-168.3171.7000112V65 L69 F75 A126 T127 S132 I133 F135 H137 M159 F162V65-I130 HydrophobicContact CG1-CD1 4.38Å; L69-I130 HydrophobicContact CD1-CG1 4.46Å; L69-I130 HydrophobicContact CD2-CB 4.39Å; F75-I130 HydrophobicContact CZ-CB 4.38Å; A126-I130 PolarHBondContact O-N 3.19Å; T127-I130 VanDerWaalsContact O-CG2 3.26Å; T127-I130 WeakPolarHBondContact O-CG2 3.38Å; I130-S132 VanDerWaalsContact C-N 3.32Å; I130-S132 PolarHBondContact O-N 2.84Å; I130-I133 WeakPolarHBondContact O-CG1 3.03Å; I130-I133 PolarHBondContact O-N 3.08Å; I130-F135 CarbonylContact C-O 3.52Å; I130-F135 VanDerWaalsContact C-O 3.3Å; I130-F135 HydrophobicContact CD1-CB 4.44Å; I130-F135 HydrophobicContact CG1-CB 3.88Å; I130-F135 PolarHBondContact O-N 2.82Å; I130-H137 HydrophobicContact CD1-CB 4.17Å; I130-M159 HydrophobicContact CB-SD 4.44Å; I130-M159 HydrophobicContact CD1-SD 4.25Å; I130-M159 HydrophobicContact CG2-CE 4.36Å; I130-M159 HydrophobicContact CG2-SD 4.13Å; I130-F162 HydrophobicContact CD1-CD1 3.83Å; I130-F162 HydrophobicContact CD1-CE1 4.13Å
131H98.7Very high98.2Very high3 Ų315.2 Ų15.21%0.0148%0.077CC..Hα-helixtrans-64-38.8172.7-66.7172.9000111.6T127 R128 D129 I133 G134 F135 Y168 R203 D206 Y271T127-H131 WeakPolarHBondContact CG2-CE1 3.12Å; T127-H131 WeakPolarHBondContact O-CB 3.42Å; T127-H131 PolarHBondContact O-CD2 3.41Å; T127-H131 PolarHBondContact O-N 3.44Å; T127-H131 VanDerWaalsContact O-N 3.08Å; T127-H131 PolarHBondContact O-ND1 3.14Å; R128-H131 PolarHBondContact O-N 2.88Å; D129-H131 VanDerWaalsContact C-N 3.32Å; D129-H131 PolarHBondContact O-N 3.38Å; H131-I133 PolarHBondContact O-N 3.44Å; H131-I133 VanDerWaalsContact O-N 3.14Å; H131-G134 WeakPolarHBondContact O-CA 3.08Å; H131-G134 PolarHBondContact O-N 3.31Å; H131-F135 WeakPolarHBondContact CA-O 3.46Å; H131-F135 PolarHBondContact CD2-O 2.69Å; H131-F135 VanDerWaalsContact CD2-O 3.22Å; H131-F135 PolarHBondContact N-O 3.45Å; H131-Y168 PolarHBondContact O-OH 3.42Å; H131-R203 HydrophobicContact CB-CG 4.34Å; H131-R203 PolarHBondContact CE1-O 3.33Å; H131-R203 VanDerWaalsContact CE1-O 3.25Å; H131-D206 IonicContact NE2-OD2 2.83Å; H131-D206 PolarHBondContact NE2-OD2 2.83Å; H131-D206 VanDerWaalsContact NE2-OD2 3.12Å; H131-Y271 AromaticContact ND1-CE1 3.55Å; H131-Y271 AromaticContact ND1-CZ 3.51Å; H131-Y271 PolarHBondContact ND1-OH 3.31Å
132S97.6Very high98.2Very high74 Ų7414.9 Ų14.952%0.5178%0.075SC..Hα-helixtrans-60.5-26.9-179800000113.5R128 D129 I130 G134R128-S132 WeakPolarHBondContact O-CB 3.44Å; R128-S132 PolarHBondContact O-N 3.46Å; D129-S132 WeakPolarHBondContact O-CB 3.24Å; D129-S132 PolarHBondContact O-N 3.16Å; D129-S132 VanDerWaalsContact O-N 3.16Å; D129-S132 PolarHBondContact O-OG 3.47Å; I130-S132 VanDerWaalsContact C-N 3.32Å; I130-S132 PolarHBondContact O-N 2.84Å; S132-G134 VanDerWaalsContact C-N 3.34Å
133I97.2Very high98.1Very high25 Ų2513.7 Ų13.713%0.1287%0.07CC..THydrogen-bonded Turntrans-91.26.2175.665154.1000113.6V65 R68 L69 D129 I130 H131 F135V65-I133 HydrophobicContact CG1-CD1 4.33Å; R68-I133 HydrophobicContact CB-CD1 3.71Å; L69-I133 HydrophobicContact CD1-CD1 4.19Å; L69-I133 HydrophobicContact CD2-CD1 3.62Å; L69-I133 HydrophobicContact CD2-CG1 3.97Å; L69-I133 HydrophobicContact CD2-CG2 4.4Å; L69-I133 HydrophobicContact CG-CD1 3.6Å; L69-I133 HydrophobicContact CG-CG1 4.49Å; D129-I133 PolarHBondContact O-N 3.37Å; I130-I133 WeakPolarHBondContact O-CG1 3.03Å; I130-I133 PolarHBondContact O-N 3.08Å; H131-I133 PolarHBondContact O-N 3.44Å; H131-I133 VanDerWaalsContact O-N 3.14Å; I133-F135 HydrophobicContact CD1-CD2 3.85Å; I133-F135 HydrophobicContact CG1-CD2 3.99Å; I133-F135 WeakPolarHBondContact O-CD2 3.42Å
134G97.8Very high98Very high4 Ų413.7 Ų13.74%0.0417%0.07CC..THydrogen-bonded Turntrans89.116.7174.800000115.5H131 S132 C167 Y168 T169H131-G134 WeakPolarHBondContact O-CA 3.08Å; H131-G134 PolarHBondContact O-N 3.31Å; S132-G134 VanDerWaalsContact C-N 3.34Å; G134-C167 CarbonylContact O-C 3.55Å; G134-C167 VanDerWaalsContact O-CA 3.29Å; G134-C167 WeakPolarHBondContact O-CA 3.44Å; G134-Y168 WeakPolarHBondContact O-CD1 3.38Å; G134-Y168 PolarHBondContact O-N 3.34Å; G134-T169 WeakPolarHBondContact CA-OG1 3.13Å
135F98.3Very high97.9Very high9 Ų913.8 Ų13.84%0.0397%0.07CC..EExtended strand (participates in β ladder)trans-117.1141.6-178.5-73.7-91.3000111.9F61 F64 V65 I130 H131 I133 R166 C167F61-F135 HydrophobicContact CE2-CD1 4.44Å; F61-F135 AromaticContact CE2-CE1 3.64Å; F61-F135 HydrophobicContact CE2-CE1 3.64Å; F61-F135 HydrophobicContact CE2-CZ 4.43Å; F61-F135 AromaticContact CZ-CD1 3.9Å; F61-F135 HydrophobicContact CZ-CD1 3.9Å; F61-F135 AromaticContact CZ-CE1 3.54Å; F61-F135 HydrophobicContact CZ-CE1 3.54Å; F64-F135 HydrophobicContact CD1-CZ 4.31Å; F64-F135 HydrophobicContact CE1-CE2 4.1Å; F64-F135 AromaticContact CE1-CZ 3.72Å; F64-F135 HydrophobicContact CE1-CZ 3.72Å; V65-F135 HydrophobicContact CG2-CD1 3.91Å; V65-F135 HydrophobicContact CG2-CE1 3.95Å; V65-F135 HydrophobicContact CG2-CG 4.29Å; V65-F135 HydrophobicContact CG2-CZ 4.37Å; I130-F135 CarbonylContact C-O 3.52Å; I130-F135 VanDerWaalsContact C-O 3.3Å; I130-F135 HydrophobicContact CD1-CB 4.44Å; I130-F135 HydrophobicContact CG1-CB 3.88Å; I130-F135 PolarHBondContact O-N 2.82Å; H131-F135 WeakPolarHBondContact CA-O 3.46Å; H131-F135 PolarHBondContact CD2-O 2.69Å; H131-F135 VanDerWaalsContact CD2-O 3.22Å; H131-F135 PolarHBondContact N-O 3.45Å; I133-F135 HydrophobicContact CD1-CD2 3.85Å; I133-F135 HydrophobicContact CG1-CD2 3.99Å; I133-F135 WeakPolarHBondContact O-CD2 3.42Å; F135-R166 CarbonylContact C-O 3.57Å; F135-R166 WeakPolarHBondContact CA-O 3.39Å; F135-C167 HydrophobicContact CD1-CB 4.08Å; F135-C167 HydrophobicContact CE1-CB 3.54Å; F135-C167 HydrophobicContact CZ-CB 3.78Å
136L98.3Very high97.9Very high2 Ų212.1 Ų12.11%0.016%0.062CC..EExtended strand (participates in β ladder)trans-94.4145162.3-58.4177.4000108.6R138 A165 R166 Y168 L201 R203L136-R138 HydrophobicContact CB-CG 3.75Å; L136-A165 CarbonylContact O-C 3.55Å; L136-A165 WeakPolarHBondContact O-CA 3.37Å; L136-A165 VanDerWaalsContact O-CB 3.23Å; L136-A165 WeakPolarHBondContact O-CB 3.37Å; L136-R166 PolarHBondContact N-O 3.13Å; L136-R166 PolarHBondContact O-N 3.34Å; L136-Y168 HydrophobicContact CD2-CD1 3.77Å; L136-Y168 HydrophobicContact CD2-CE1 4.15Å; L136-Y168 HydrophobicContact CD2-CG 4.24Å; L136-Y168 HydrophobicContact CG-CD1 3.71Å; L136-Y168 HydrophobicContact CG-CG 4.08Å; L136-L201 HydrophobicContact CD1-CB 4.36Å; L136-L201 WeakPolarHBondContact CD1-O 3.49Å; L136-R203 HydrophobicContact CD2-CB 4.24Å; L136-R203 HydrophobicContact CD2-CG 3.66Å
137H98.2Very high97.8Very high1 Ų112.4 Ų12.41%0.0056%0.064CC..  trans-76-48.8175.7-168-85.1000111.4I130 D139 I140 M159 L160 D161 F162 L164 A165 D206I130-H137 HydrophobicContact CD1-CB 4.17Å; H137-D139 PolarHBondContact CE1-O 3.23Å; H137-D139 PolarHBondContact ND1-N 3.33Å; H137-D139 PolarHBondContact ND1-O 2.8Å; H137-D139 PolarHBondContact O-N 2.91Å; H137-D139 VanDerWaalsContact O-N 3.15Å; H137-I140 HydrophobicContact CB-CD1 4.46Å; H137-I140 HydrophobicContact CB-CG1 4.02Å; H137-I140 PolarHBondContact ND1-N 3.42Å; H137-M159 PolarHBondContact CD2-SD 2.64Å; H137-L160 PolarHBondContact NE2-O 3.15Å; H137-L160 VanDerWaalsContact NE2-O 3.08Å; H137-D161 PolarHBondContact CE1-O 3.28Å; H137-D161 PolarHBondContact NE2-O 2.81Å; H137-D161 VanDerWaalsContact NE2-O 3.15Å; H137-F162 AromaticContact CD2-CD1 3.95Å; H137-L164 CarbonylContact O-C 3.55Å; H137-A165 PolarHBondContact O-N 2.92Å; H137-D206 PolarHBondContact N-OD2 3.45Å
138R96.9Very high97.6Very high41 Ų4112.8 Ų12.816%0.1557%0.068CC..SBendtrans66-1.3179.2-50.1-168.4-61.6158-0.4117L136 L164 L201 D206L136-R138 HydrophobicContact CB-CG 3.75Å; R138-L164 PolarHBondContact NE-O 3.43Å; R138-L164 PolarHBondContact NH2-O 3.14Å; R138-L201 HydrophobicContact CB-CD1 4.24Å; R138-L201 HydrophobicContact CG-CD1 4.18Å; R138-D206 WeakPolarHBondContact CA-OD1 3.45Å; R138-D206 PolarHBondContact N-OD1 3.01Å; R138-D206 PolarHBondContact N-OD2 2.92Å
139D96.2Very high97.3Very high7 Ų715.1 Ų15.14%0.0378%0.076CC..  trans-138.747.5173.4-160.334.6000112.7H137 K141 N144 L164 G186 T187H137-D139 PolarHBondContact CE1-O 3.23Å; H137-D139 PolarHBondContact ND1-N 3.33Å; H137-D139 PolarHBondContact ND1-O 2.8Å; H137-D139 PolarHBondContact O-N 2.91Å; H137-D139 VanDerWaalsContact O-N 3.15Å; D139-K141 PolarHBondContact O-N 3.26Å; D139-K141 IonicContact OD1-NZ 3.22Å; D139-K141 WeakPolarHBondContact OD2-CE 3.26Å; D139-K141 IonicContact OD2-NZ 3.48Å; D139-K141 PolarHBondContact OD2-NZ 3Å; D139-N144 PolarHBondContact O-ND2 2.96Å; D139-N144 PolarHBondContact OD2-ND2 3.46Å; D139-L164 HydrophobicContact CB-CB 4.27Å; D139-L164 HydrophobicContact CB-CD1 3.78Å; D139-G186 WeakPolarHBondContact OD1-CA 3.34Å; D139-T187 PolarHBondContact OD1-N 3.35Å; D139-T187 PolarHBondContact OD1-OG1 2.82Å
140I98.2Very high96.9Very high1 Ų116.3 Ų16.31%0.0058%0.083CC..  trans-68.2121.3175-77.6-175000109.5T127 H137 F145 M159 Y190 D206T127-I140 HydrophobicContact CG2-CD1 4.08Å; T127-I140 WeakPolarHBondContact OG1-CD1 3.27Å; H137-I140 HydrophobicContact CB-CD1 4.46Å; H137-I140 HydrophobicContact CB-CG1 4.02Å; H137-I140 PolarHBondContact ND1-N 3.42Å; I140-F145 HydrophobicContact CG1-CE2 4.46Å; I140-F145 HydrophobicContact CG1-CZ 4.39Å; I140-F145 HydrophobicContact CG2-CE2 3.97Å; I140-F145 HydrophobicContact CG2-CZ 4.45Å; I140-M159 HydrophobicContact CD1-CE 4.45Å; I140-Y190 WeakPolarHBondContact O-CB 3.33Å; I140-D206 HydrophobicContact CD1-CB 3.65Å
141K97.2Very high96.4Very high0 Ų021.6 Ų21.60%012%0.117CC..  trans-163.4158-17963.4-170.3-172.8-156.50110.3D139 S143 N144 F145 T187 Y190 E321D139-K141 PolarHBondContact O-N 3.26Å; D139-K141 IonicContact OD1-NZ 3.22Å; D139-K141 WeakPolarHBondContact OD2-CE 3.26Å; D139-K141 IonicContact OD2-NZ 3.48Å; D139-K141 PolarHBondContact OD2-NZ 3Å; K141-S143 WeakPolarHBondContact CE-OG 3.31Å; K141-S143 WeakPolarHBondContact CG-OG 3.12Å; K141-S143 PolarHBondContact O-N 3.43Å; K141-S143 VanDerWaalsContact O-N 3.14Å; K141-N144 WeakPolarHBondContact CE-ND2 3.32Å; K141-N144 HydrophobicContact CG-CB 4.02Å; K141-N144 PolarHBondContact O-N 3.44Å; K141-F145 WeakPolarHBondContact O-CD2 3.46Å; K141-T187 VanDerWaalsContact CD-OG1 3.3Å; K141-T187 WeakPolarHBondContact CD-OG1 3.26Å; K141-T187 PolarHBondContact NZ-OG1 3.44Å; K141-T187 VanDerWaalsContact NZ-OG1 3.12Å; K141-Y190 HydrophobicContact CB-CD2 3.35Å; K141-Y190 HydrophobicContact CB-CE2 3.55Å; K141-Y190 HydrophobicContact CB-CG 4.11Å; K141-E321 WeakPolarHBondContact CD-OE2 3.16Å; K141-E321 WeakPolarHBondContact CE-OE2 3.3Å; K141-E321 IonicContact NZ-OE2 3.73Å
142P97.8Very high96.1Very high0 Ų031.1 Ų31.10%015%0.153CC..G310 helixtrans-62.5-25.8-173.63.5-4.4000114.7L99 T100 N144 F145 Y190 M213 L217L99-P142 HydrophobicContact CB-CB 3.71Å; L99-P142 WeakPolarHBondContact CB-O 3.48Å; L99-P142 PolarHBondContact N-O 3.49Å; L99-P142 VanDerWaalsContact N-O 3.15Å; T100-P142 WeakPolarHBondContact OG1-CB 3.23Å; P142-N144 VanDerWaalsContact C-N 3.28Å; P142-N144 PolarHBondContact O-N 3.28Å; P142-F145 PolarHBondContact O-N 2.93Å; P142-Y190 WeakPolarHBondContact CD-OH 3.3Å; P142-Y190 HydrophobicContact CG-CE1 4.24Å; P142-Y190 WeakPolarHBondContact CG-OH 3.16Å; P142-M213 VanDerWaalsContact CA-SD 3.59Å; P142-M213 HydrophobicContact CB-CG 4.17Å; P142-M213 HydrophobicContact CB-SD 3.99Å; P142-M213 HydrophobicContact CG-CG 3.89Å; P142-M213 HydrophobicContact CG-SD 4.18Å; P142-L217 HydrophobicContact CB-CD2 4.25Å
143S95.9Very high96Very high0 Ų028.3 Ų28.30%013%0.132CC..G310 helixtrans-73.9-18.5175.559.60000113.5T100 K141 F145 E321T100-S143 PolarHBondContact OG1-N 3.11Å; T100-S143 VanDerWaalsContact OG1-N 3.07Å; K141-S143 WeakPolarHBondContact CE-OG 3.31Å; K141-S143 WeakPolarHBondContact CG-OG 3.12Å; K141-S143 PolarHBondContact O-N 3.43Å; K141-S143 VanDerWaalsContact O-N 3.14Å; S143-F145 VanDerWaalsContact C-N 3.32Å; S143-E321 WeakPolarHBondContact CB-OE2 3.4Å; S143-E321 PolarHBondContact OG-OE2 2.81Å
144N97.3Very high95.8Very high0 Ų031.8 Ų31.80%014%0.144CC..G310 helixtrans-92.310.7174.1-75.9-9.7000112.8D139 K141 P142 L160 Q318D139-N144 PolarHBondContact O-ND2 2.96Å; D139-N144 PolarHBondContact OD2-ND2 3.46Å; K141-N144 WeakPolarHBondContact CE-ND2 3.32Å; K141-N144 HydrophobicContact CG-CB 4.02Å; K141-N144 PolarHBondContact O-N 3.44Å; P142-N144 VanDerWaalsContact C-N 3.28Å; P142-N144 PolarHBondContact O-N 3.28Å; N144-L160 WeakPolarHBondContact O-CB 3.07Å; N144-L160 PolarHBondContact O-N 2.78Å; N144-Q318 WeakPolarHBondContact OD1-CG 3.28Å; N144-Q318 PolarHBondContact OD1-NE2 2.67Å
145F98.2Very high95.8Very high1 Ų134.9 Ų34.90%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-126.3129.6169.7-68.7-79000109.9N98 L99 C123 A126 I140 K141 P142 S143 L157 Y158 M159 M213N98-F145 CarbonylContact C-O 3.45Å; N98-F145 WeakPolarHBondContact CA-O 3.43Å; N98-F145 WeakPolarHBondContact CB-O 3.42Å; L99-F145 HydrophobicContact CD1-CB 3.8Å; L99-F145 HydrophobicContact CG-CB 3.93Å; L99-F145 PolarHBondContact N-O 3.32Å; C123-F145 HydrophobicContact CB-CE1 4.41Å; C123-F145 HydrophobicContact CB-CZ 4.34Å; A126-F145 HydrophobicContact CB-CE1 4.4Å; I140-F145 HydrophobicContact CG1-CE2 4.46Å; I140-F145 HydrophobicContact CG1-CZ 4.39Å; I140-F145 HydrophobicContact CG2-CE2 3.97Å; I140-F145 HydrophobicContact CG2-CZ 4.45Å; K141-F145 WeakPolarHBondContact O-CD2 3.46Å; P142-F145 PolarHBondContact O-N 2.93Å; S143-F145 VanDerWaalsContact C-N 3.32Å; F145-L157 HydrophobicContact CB-CD1 4.02Å; F145-L157 HydrophobicContact CB-CD2 4.42Å; F145-L157 HydrophobicContact CB-CG 4.18Å; F145-L157 HydrophobicContact CD1-CD1 4.33Å; F145-L157 HydrophobicContact CD1-CD2 3.36Å; F145-L157 HydrophobicContact CD1-CG 4.04Å; F145-L157 HydrophobicContact CE1-CD2 3.91Å; F145-L157 HydrophobicContact CG-CD1 4.41Å; F145-L157 HydrophobicContact CG-CD2 4.21Å; F145-L157 HydrophobicContact CG-CG 4.5Å; F145-Y158 VanDerWaalsContact CA-O 3.3Å; F145-Y158 WeakPolarHBondContact CA-O 3.3Å; F145-M159 HydrophobicContact CD1-CB 4.11Å; F145-M159 HydrophobicContact CE1-CB 3.79Å; F145-M159 HydrophobicContact CE1-CE 3.67Å; F145-M159 HydrophobicContact CE1-CG 3.94Å; F145-M159 HydrophobicContact CZ-CE 3.65Å; F145-M159 HydrophobicContact CZ-CG 4.36Å; F145-M213 HydrophobicContact CD2-CE 3.9Å; F145-M213 HydrophobicContact CD2-SD 3.82Å; F145-M213 HydrophobicContact CE2-CE 3.84Å; F145-M213 HydrophobicContact CE2-SD 4.11Å
146A97.2Very high95.7Very high0 Ų036 Ų360%016%0.162CC..EExtended strand (participates in β ladder)trans-132148.2179.600000112.4A95 G96 R97 N98 L157 Y158 L160A95-A146 HydrophobicContact CB-CB 3.85Å; G96-A146 WeakPolarHBondContact O-CB 3.15Å; R97-A146 WeakPolarHBondContact O-CA 3.35Å; N98-A146 HydrophobicContact CB-CB 4.29Å; A146-L157 CarbonylContact O-C 3.59Å; A146-Y158 PolarHBondContact N-O 3.15Å; A146-Y158 PolarHBondContact O-N 3.01Å; A146-L160 HydrophobicContact CB-CD1 3.73Å; A146-L160 HydrophobicContact CB-CG 4.38Å
147M97.2Very high95.7Very high6 Ų635.9 Ų35.93%0.0316%0.162CC..EExtended strand (participates in β ladder)trans-76.5158.2174.4-58.5-53.4-60.900110.4G96 R97 L99 L102 L119 Y154 R155 T156 L157 Y293 W295G96-M147 CarbonylContact C-O 3.6Å; G96-M147 WeakPolarHBondContact CA-O 3.16Å; G96-M147 PolarHBondContact N-O 3.15Å; R97-M147 PolarHBondContact O-N 3.32Å; L99-M147 HydrophobicContact CD2-SD 4.15Å; L102-M147 HydrophobicContact CD1-CB 4.44Å; L102-M147 HydrophobicContact CD1-CG 3.51Å; L119-M147 HydrophobicContact CD2-SD 4Å; M147-Y154 WeakPolarHBondContact CE-O 3.45Å; M147-R155 VanDerWaalsContact CE-C 3.44Å; M147-R155 WeakPolarHBondContact CE-O 3.33Å; M147-T156 CarbonylContact C-O 3.48Å; M147-T156 WeakPolarHBondContact CA-O 3.43Å; M147-L157 HydrophobicContact SD-CB 4.1Å; M147-Y293 HydrophobicContact CE-CD2 4.26Å; M147-Y293 HydrophobicContact CE-CE2 3.84Å; M147-W295 HydrophobicContact CE-CZ2 4.11Å; M147-W295 HydrophobicContact CG-CZ2 3.76Å; M147-W295 HydrophobicContact SD-CH2 4.39Å; M147-W295 HydrophobicContact SD-CZ2 3.87Å
148G95.3Very high95.8Very high8 Ų836.6 Ų36.68%0.08217%0.165CC..  trans-62.9172.2166.300000112.5D153 T156G148-D153 WeakPolarHBondContact CA-O 3.43Å; G148-D153 WeakPolarHBondContact CA-OD1 3.48Å; G148-T156 PolarHBondContact N-O 2.9Å
149R91.8Very high95.9Very high122 Ų12234.8 Ų34.846%0.4616%0.158SC..  trans-130.7-12.6-177.768.5174.5-62.7-158.36.5113.4L94 D153L94-R149 WeakPolarHBondContact O-CD 3.5Å; R149-D153 PolarHBondContact N-OD1 3.45Å
150D89.9Confident95.9Very high38 Ų3834.7 Ų34.720%0.20316%0.157CC..SBendtrans-91.1147.7-179.9-175-77.4000108.8R152 D153 Y154D150-R152 PolarHBondContact O-N 3.26Å; D150-R152 VanDerWaalsContact OD1-CB 3.22Å; D150-R152 WeakPolarHBondContact OD1-CB 3.47Å; D150-R152 VanDerWaalsContact OD1-CG 3.29Å; D150-R152 WeakPolarHBondContact OD1-CG 3.24Å; D150-R152 IonicContact OD1-CZ 3.59Å; D150-R152 PolarHBondContact OD1-N 2.83Å; D150-R152 IonicContact OD1-NE 2.77Å; D150-R152 PolarHBondContact OD1-NE 3.29Å; D150-R152 IonicContact OD1-NH2 3.77Å; D150-R152 IonicContact OD2-CZ 3.59Å; D150-R152 IonicContact OD2-NE 3.55Å; D150-R152 IonicContact OD2-NH2 3.08Å; D150-R152 PolarHBondContact OD2-NH2 3.45Å; D150-D153 WeakPolarHBondContact CB-OD1 3.42Å; D150-D153 PolarHBondContact N-OD1 3.02Å; D150-D153 CarbonylContact O-C 3.55Å; D150-D153 PolarHBondContact O-N 3.26Å; D150-Y154 PolarHBondContact O-N 3.4Å
151P89.5Confident95.6Very high112 Ų11235.5 Ų35.573%0.72716%0.162SC*.THydrogen-bonded Turntrans-51-25.4174.1-29.536.4000114.4Y154P151-Y154 WeakPolarHBondContact O-CD1 3.44Å
152R92.3Very high95.5Very high202 Ų20236 Ų3676%0.76216%0.164SC*.THydrogen-bonded Turntrans-80.5-18.2177.5-62169.4-68.9-177.2-2.7114.1D150D150-R152 PolarHBondContact O-N 3.26Å; D150-R152 VanDerWaalsContact OD1-CB 3.22Å; D150-R152 WeakPolarHBondContact OD1-CB 3.47Å; D150-R152 VanDerWaalsContact OD1-CG 3.29Å; D150-R152 WeakPolarHBondContact OD1-CG 3.24Å; D150-R152 IonicContact OD1-CZ 3.59Å; D150-R152 PolarHBondContact OD1-N 2.83Å; D150-R152 IonicContact OD1-NE 2.77Å; D150-R152 PolarHBondContact OD1-NE 3.29Å; D150-R152 IonicContact OD1-NH2 3.77Å; D150-R152 IonicContact OD2-CZ 3.59Å; D150-R152 IonicContact OD2-NE 3.55Å; D150-R152 IonicContact OD2-NH2 3.08Å; D150-R152 PolarHBondContact OD2-NH2 3.45Å
153D94.6Very high95.2Very high16 Ų1636.9 Ų36.99%0.08617%0.173CC..THydrogen-bonded Turntrans-139.46-170.980-4.4000115.8Q93 G148 R149 D150 R155 T156 Y158Q93-D153 PolarHBondContact NE2-OD2 3.04Å; G148-D153 WeakPolarHBondContact CA-O 3.43Å; G148-D153 WeakPolarHBondContact CA-OD1 3.48Å; R149-D153 PolarHBondContact N-OD1 3.45Å; D150-D153 WeakPolarHBondContact CB-OD1 3.42Å; D150-D153 PolarHBondContact N-OD1 3.02Å; D150-D153 CarbonylContact O-C 3.55Å; D150-D153 PolarHBondContact O-N 3.26Å; D153-R155 PolarHBondContact O-N 3.44Å; D153-T156 WeakPolarHBondContact O-CA 3.46Å; D153-T156 VanDerWaalsContact O-CB 3.24Å; D153-T156 WeakPolarHBondContact O-CB 3.35Å; D153-T156 PolarHBondContact O-N 3.06Å; D153-Y158 HydrophobicContact CB-CE2 4.5Å; D153-Y158 WeakPolarHBondContact CB-OH 3.3Å; D153-Y158 WeakPolarHBondContact OD2-CE2 3.42Å; D153-Y158 PolarHBondContact OD2-OH 2.93Å
154Y94.3Very high95.1Very high98 Ų9838 Ų3838%0.38418%0.179SC..THydrogen-bonded Turntrans-58.3-21.5-175.675.7-78.7000114.9M147 D150 P151 E296M147-Y154 WeakPolarHBondContact CE-O 3.45Å; D150-Y154 PolarHBondContact O-N 3.4Å; P151-Y154 WeakPolarHBondContact O-CD1 3.44Å; Y154-E296 WeakPolarHBondContact CE2-OE1 3.47Å
155R96.4Very high95Very high69 Ų6938.3 Ų38.326%0.2618%0.182SC..THydrogen-bonded Turntrans-96.5-2.2173.8-76.8177.3176.8165.50.4114.6Q122 M147 D153 D290 Y293 E296Q122-R155 PolarHBondContact NE2-O 3.2Å; M147-R155 VanDerWaalsContact CE-C 3.44Å; M147-R155 WeakPolarHBondContact CE-O 3.33Å; D153-R155 PolarHBondContact O-N 3.44Å; R155-D290 PolarHBondContact NH1-O 3.36Å; R155-Y293 HydrophobicContact CB-CE2 4.12Å; R155-Y293 HydrophobicContact CG-CD2 4.1Å; R155-Y293 HydrophobicContact CG-CE2 3.99Å; R155-E296 VanDerWaalsContact CG-OE1 3.22Å; R155-E296 WeakPolarHBondContact CG-OE1 3.45Å; R155-E296 IonicContact CZ-OE2 3.6Å; R155-E296 IonicContact NE-OE1 2.7Å; R155-E296 PolarHBondContact NE-OE1 3.02Å; R155-E296 IonicContact NE-OE2 2.65Å; R155-E296 PolarHBondContact NE-OE2 2.83Å; R155-E296 IonicContact NH2-OE2 3.86Å; R155-E296 PolarHBondContact NH2-OE2 2.78Å
156T98Very high94.8Very high32 Ų3241.7 Ų41.720%0.19619%0.194CC..  trans-84.7130.3174.5-55.50000109.7T73 M147 G148 D153 Y158T73-T156 HydrophobicContact CG2-CG2 4.18Å; M147-T156 CarbonylContact C-O 3.48Å; M147-T156 WeakPolarHBondContact CA-O 3.43Å; G148-T156 PolarHBondContact N-O 2.9Å; D153-T156 WeakPolarHBondContact O-CA 3.46Å; D153-T156 VanDerWaalsContact O-CB 3.24Å; D153-T156 WeakPolarHBondContact O-CB 3.35Å; D153-T156 PolarHBondContact O-N 3.06Å; T156-Y158 HydrophobicContact CG2-CE1 4.21Å; T156-Y158 HydrophobicContact CG2-CE2 4.22Å
157L98.5Very high94.8Very high0 Ų043.3 Ų43.30%021%0.205CC..EExtended strand (participates in β ladder)trans-92.1135.9173.1171.5146.6000110H74 L99 L119 Q122 F145 A146 M147H74-L157 WeakPolarHBondContact CA-O 3.48Å; H74-L157 VanDerWaalsContact CB-O 3.26Å; H74-L157 WeakPolarHBondContact CB-O 3.28Å; H74-L157 PolarHBondContact ND1-O 3.17Å; L99-L157 HydrophobicContact CD1-CD1 3.84Å; L99-L157 HydrophobicContact CD2-CD1 4.31Å; L99-L157 HydrophobicContact CG-CD1 4.36Å; L119-L157 HydrophobicContact CD2-CD1 3.65Å; Q122-L157 HydrophobicContact CB-CB 3.97Å; Q122-L157 HydrophobicContact CB-CD2 4.06Å; Q122-L157 HydrophobicContact CB-CG 4.47Å; F145-L157 HydrophobicContact CB-CD1 4.02Å; F145-L157 HydrophobicContact CB-CD2 4.42Å; F145-L157 HydrophobicContact CB-CG 4.18Å; F145-L157 HydrophobicContact CD1-CD1 4.33Å; F145-L157 HydrophobicContact CD1-CD2 3.36Å; F145-L157 HydrophobicContact CD1-CG 4.04Å; F145-L157 HydrophobicContact CE1-CD2 3.91Å; F145-L157 HydrophobicContact CG-CD1 4.41Å; F145-L157 HydrophobicContact CG-CD2 4.21Å; F145-L157 HydrophobicContact CG-CG 4.5Å; A146-L157 CarbonylContact O-C 3.59Å; M147-L157 HydrophobicContact SD-CB 4.1Å
158Y98.7Very high94.8Very high16 Ų1644 Ų446%0.06321%0.208CC..EExtended strand (participates in β ladder)trans-115.6126.7-179.2-67.8-73.9000110.4H74 L76 F145 A146 D153 T156H74-Y158 CarbonylContact O-C 3.3Å; H74-Y158 WeakPolarHBondContact O-CA 3.46Å; L76-Y158 HydrophobicContact CD2-CD1 3.85Å; L76-Y158 HydrophobicContact CD2-CD2 4.01Å; L76-Y158 HydrophobicContact CD2-CE1 4.31Å; L76-Y158 HydrophobicContact CD2-CE2 4.44Å; L76-Y158 HydrophobicContact CD2-CG 3.68Å; L76-Y158 HydrophobicContact CG-CD1 4.29Å; L76-Y158 HydrophobicContact CG-CG 4.29Å; F145-Y158 VanDerWaalsContact CA-O 3.3Å; F145-Y158 WeakPolarHBondContact CA-O 3.3Å; A146-Y158 PolarHBondContact N-O 3.15Å; A146-Y158 PolarHBondContact O-N 3.01Å; D153-Y158 HydrophobicContact CB-CE2 4.5Å; D153-Y158 WeakPolarHBondContact CB-OH 3.3Å; D153-Y158 WeakPolarHBondContact OD2-CE2 3.42Å; D153-Y158 PolarHBondContact OD2-OH 2.93Å; T156-Y158 HydrophobicContact CG2-CE1 4.21Å; T156-Y158 HydrophobicContact CG2-CE2 4.22Å
159M98.7Very high94.9Very high2 Ų244.6 Ų44.61%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-78133.8169.3-176.8-178.3-78.800109.8H74 F75 A126 I130 H137 I140 F145 F162H74-M159 PolarHBondContact O-N 2.73Å; F75-M159 HydrophobicContact CD1-CB 4.27Å; F75-M159 HydrophobicContact CE1-CB 3.91Å; F75-M159 HydrophobicContact CE1-CG 4.33Å; F75-M159 HydrophobicContact CE1-SD 3.89Å; F75-M159 HydrophobicContact CZ-SD 4.41Å; A126-M159 HydrophobicContact CB-CB 4.21Å; A126-M159 HydrophobicContact CB-CE 3.77Å; I130-M159 HydrophobicContact CB-SD 4.44Å; I130-M159 HydrophobicContact CD1-SD 4.25Å; I130-M159 HydrophobicContact CG2-CE 4.36Å; I130-M159 HydrophobicContact CG2-SD 4.13Å; H137-M159 PolarHBondContact CD2-SD 2.64Å; I140-M159 HydrophobicContact CD1-CE 4.45Å; F145-M159 HydrophobicContact CD1-CB 4.11Å; F145-M159 HydrophobicContact CE1-CB 3.79Å; F145-M159 HydrophobicContact CE1-CE 3.67Å; F145-M159 HydrophobicContact CE1-CG 3.94Å; F145-M159 HydrophobicContact CZ-CE 3.65Å; F145-M159 HydrophobicContact CZ-CG 4.36Å; M159-F162 HydrophobicContact CG-CE1 4.07Å; M159-F162 HydrophobicContact SD-CE1 4.14Å
160L96.4Very high95.1Very high6 Ų640.8 Ų40.83%0.03120%0.2CC..  trans-122.3160.9-174.4-49.8-178.8000111.2L76 H137 N144 A146 Y315 Q318L76-L160 HydrophobicContact CD1-CD2 3.38Å; L76-L160 HydrophobicContact CG-CD2 4.02Å; H137-L160 PolarHBondContact NE2-O 3.15Å; H137-L160 VanDerWaalsContact NE2-O 3.08Å; N144-L160 WeakPolarHBondContact O-CB 3.07Å; N144-L160 PolarHBondContact O-N 2.78Å; A146-L160 HydrophobicContact CB-CD1 3.73Å; A146-L160 HydrophobicContact CB-CG 4.38Å; L160-Y315 HydrophobicContact CD1-CD1 4.15Å; L160-Y315 HydrophobicContact CD1-CE1 3.94Å; L160-Q318 VanDerWaalsContact CB-NE2 3.34Å
161D93.2Very high95.1Very high18 Ų1849.3 Ų49.310%0.09624%0.235CC..  trans61.884.4167-170.718.4000116.2K48 H137 G163 Q322K48-D161 IonicContact NZ-OD1 3.54Å; K48-D161 PolarHBondContact NZ-OD1 3.49Å; H137-D161 PolarHBondContact CE1-O 3.28Å; H137-D161 PolarHBondContact NE2-O 2.81Å; H137-D161 VanDerWaalsContact NE2-O 3.15Å; D161-G163 VanDerWaalsContact C-N 3.28Å; D161-G163 PolarHBondContact O-N 3.49Å; D161-G163 PolarHBondContact OD1-N 2.87Å; D161-Q322 VanDerWaalsContact CG-NE2 3.35Å; D161-Q322 PolarHBondContact OD2-NE2 3.1Å
162F95Very high95.3Very high9 Ų949.2 Ų49.24%0.03923%0.233CC..  trans-88.313.3177.1-45.3-63.8000113.4E62 V65 L66 L69 F75 I130 H137 M159 L164 A165E62-F162 HydrophobicContact CG-CB 4.24Å; V65-F162 HydrophobicContact CB-CB 3.98Å; V65-F162 HydrophobicContact CB-CD2 4.35Å; V65-F162 HydrophobicContact CB-CG 4.14Å; V65-F162 HydrophobicContact CG1-CB 3.87Å; V65-F162 HydrophobicContact CG1-CD1 3.97Å; V65-F162 HydrophobicContact CG1-CD2 4.13Å; V65-F162 HydrophobicContact CG1-CG 3.68Å; V65-F162 HydrophobicContact CG2-CB 4.48Å; L66-F162 HydrophobicContact CB-CD2 4.21Å; L66-F162 HydrophobicContact CB-CE2 3.99Å; L66-F162 HydrophobicContact CD1-CE2 3.88Å; L66-F162 HydrophobicContact CD1-CZ 4.48Å; L66-F162 HydrophobicContact CG-CE2 4.45Å; L69-F162 HydrophobicContact CD1-CE1 4.02Å; L69-F162 HydrophobicContact CD1-CE2 4.42Å; L69-F162 HydrophobicContact CD1-CZ 3.98Å; F75-F162 HydrophobicContact CD1-CE1 4.25Å; F75-F162 AromaticContact CD1-CZ 3.83Å; F75-F162 HydrophobicContact CD1-CZ 3.83Å; F75-F162 HydrophobicContact CE1-CE1 4.13Å; F75-F162 HydrophobicContact CE1-CZ 4.19Å; I130-F162 HydrophobicContact CD1-CD1 3.83Å; I130-F162 HydrophobicContact CD1-CE1 4.13Å; H137-F162 AromaticContact CD2-CD1 3.95Å; M159-F162 HydrophobicContact CG-CE1 4.07Å; M159-F162 HydrophobicContact SD-CE1 4.14Å; F162-L164 PolarHBondContact O-N 3.44Å; F162-L164 VanDerWaalsContact O-N 3.16Å; F162-A165 HydrophobicContact CB-CB 4.11Å; F162-A165 VanDerWaalsContact O-CB 3.24Å; F162-A165 WeakPolarHBondContact O-CB 3.2Å; F162-A165 PolarHBondContact O-N 2.9Å
163G91.4Very high95.2Very high19 Ų1942 Ų4220%0.19622%0.221CC..THydrogen-bonded Turntrans-64.1-24.3-172.800000113.5E62 D161E62-G163 VanDerWaalsContact CG-N 3.33Å; E62-G163 VanDerWaalsContact OE1-CA 3.31Å; E62-G163 WeakPolarHBondContact OE1-CA 3.49Å; D161-G163 VanDerWaalsContact C-N 3.28Å; D161-G163 PolarHBondContact O-N 3.49Å; D161-G163 PolarHBondContact OD1-N 2.87Å
164L92.3Very high95.2Very high24 Ų2447.6 Ų47.613%0.12625%0.247CC..THydrogen-bonded Turntrans-100.72.7174.3-67.7-179.5000113.7H137 R138 D139 F162 V325H137-L164 CarbonylContact O-C 3.55Å; R138-L164 PolarHBondContact NE-O 3.43Å; R138-L164 PolarHBondContact NH2-O 3.14Å; D139-L164 HydrophobicContact CB-CB 4.27Å; D139-L164 HydrophobicContact CB-CD1 3.78Å; F162-L164 PolarHBondContact O-N 3.44Å; F162-L164 VanDerWaalsContact O-N 3.16Å; L164-V325 HydrophobicContact CD1-CG1 4.01Å
165A95.5Very high95.3Very high7 Ų745.4 Ų45.46%0.05824%0.241CC..  trans-62.6157.6-179.100000111.9F61 L136 H137 F162F61-A165 HydrophobicContact CE1-CB 3.9Å; F61-A165 VanDerWaalsContact CE1-O 3.3Å; F61-A165 WeakPolarHBondContact CE1-O 3.5Å; F61-A165 HydrophobicContact CZ-CB 4.35Å; L136-A165 CarbonylContact O-C 3.55Å; L136-A165 WeakPolarHBondContact O-CA 3.37Å; L136-A165 VanDerWaalsContact O-CB 3.23Å; L136-A165 WeakPolarHBondContact O-CB 3.37Å; H137-A165 PolarHBondContact O-N 2.92Å; F162-A165 HydrophobicContact CB-CB 4.11Å; F162-A165 VanDerWaalsContact O-CB 3.24Å; F162-A165 WeakPolarHBondContact O-CB 3.2Å; F162-A165 PolarHBondContact O-N 2.9Å
166R95.2Very high95.3Very high72 Ų7247.3 Ų47.327%0.27225%0.249SC..EExtended strand (participates in β ladder)trans-143.8130.3179177.3172.4177.573.90.3110.9F135 L136 Y168 R179 E200F135-R166 CarbonylContact C-O 3.57Å; F135-R166 WeakPolarHBondContact CA-O 3.39Å; L136-R166 PolarHBondContact N-O 3.13Å; L136-R166 PolarHBondContact O-N 3.34Å; R166-Y168 PolarHBondContact O-N 2.79Å; R166-R179 VanDerWaalsContact CZ-CZ 3.45Å; R166-R179 VanDerWaalsContact NH2-NE 3.14Å; R166-E200 IonicContact CZ-OE2 2.72Å; R166-E200 IonicContact NE-OE1 2.75Å; R166-E200 IonicContact NE-OE2 3.95Å; R166-E200 PolarHBondContact NE-OE2 3Å; R166-E200 IonicContact NH2-OE2 2.77Å; R166-E200 PolarHBondContact NH2-OE2 2.82Å
167C96.7Very high95.3Very high34 Ų3452.8 Ų52.823%0.2327%0.272CS..EExtended strand (participates in β ladder)trans-66.2115.9170.1-170.10000109.1G134 F135 T169 R176G134-C167 CarbonylContact O-C 3.55Å; G134-C167 VanDerWaalsContact O-CA 3.29Å; G134-C167 WeakPolarHBondContact O-CA 3.44Å; F135-C167 HydrophobicContact CD1-CB 4.08Å; F135-C167 HydrophobicContact CE1-CB 3.54Å; F135-C167 HydrophobicContact CZ-CB 3.78Å; C167-T169 PolarHBondContact SG-O 2.86Å; C167-R176 WeakPolarHBondContact O-CD 3.4Å
168Y97.2Very high95.1Very high21 Ų2155.2 Ų55.28%0.08229%0.287CS..  trans-97-4.9177.973.5-88.6000112.1H131 G134 L136 R166 L175 R176 R203H131-Y168 PolarHBondContact O-OH 3.42Å; G134-Y168 WeakPolarHBondContact O-CD1 3.38Å; G134-Y168 PolarHBondContact O-N 3.34Å; L136-Y168 HydrophobicContact CD2-CD1 3.77Å; L136-Y168 HydrophobicContact CD2-CE1 4.15Å; L136-Y168 HydrophobicContact CD2-CG 4.24Å; L136-Y168 HydrophobicContact CG-CD1 3.71Å; L136-Y168 HydrophobicContact CG-CG 4.08Å; R166-Y168 PolarHBondContact O-N 2.79Å; Y168-L175 HydrophobicContact CD2-CD2 3.43Å; Y168-L175 VanDerWaalsContact CD2-CD2 3.43Å; Y168-L175 HydrophobicContact CE2-CD2 3.4Å; Y168-R176 PolarHBondContact O-N 3.41Å; Y168-R203 HydrophobicContact CE1-CG 4.36Å; Y168-R203 HydrophobicContact CE2-CG 4.31Å
169T97.3Very high95Very high19 Ų1959.2 Ų59.212%0.11730%0.302CS..BIsolated β-bridgetrans-108.9159.3177.355.70000112.6G134 C167 E174 L175 R176G134-T169 WeakPolarHBondContact CA-OG1 3.13Å; C167-T169 PolarHBondContact SG-O 2.86Å; T169-E174 CarbonylContact C-O 3.37Å; T169-E174 WeakPolarHBondContact CA-O 3.45Å; T169-E174 WeakPolarHBondContact CB-O 3.23Å; T169-L175 HydrophobicContact CG2-CD2 4.47Å; T169-R176 PolarHBondContact O-NE 2.83Å; T169-R176 PolarHBondContact O-NH2 2.93Å
170T95.4Very high94.6Very high42 Ų4267.5 Ų67.526%0.25835%0.345SS..  trans-79.8176.5168.366.90000110T172 G173 E174 R176T170-T172 PolarHBondContact O-N 3.23Å; T170-T172 PolarHBondContact OG1-N 3.46Å; T170-T172 PolarHBondContact OG1-OG1 3.04Å; T170-G173 PolarHBondContact O-N 3.45Å; T170-G173 VanDerWaalsContact O-N 3.09Å; T170-E174 HydrophobicContact CG2-CB 4.36Å; T170-E174 PolarHBondContact N-O 2.92Å; T170-E174 PolarHBondContact OG1-N 3.28Å; T170-E174 PolarHBondContact OG1-O 3.08Å; T170-R176 HydrophobicContact CG2-CG 4.19Å
171K90.8Very high94.2Very high218 Ų21875.9 Ų75.995%0.94838%0.381SS*.THydrogen-bonded Turntrans-62.5-23.5173.8-66.4-176.7179.2-179.60112.8G173K171-G173 VanDerWaalsContact C-N 3.34Å
172T93.1Very high94.1Very high110 Ų11075.6 Ų75.668%0.67538%0.38SS*.THydrogen-bonded Turntrans-88.1-1.5177.454.10000112.8T170T170-T172 PolarHBondContact O-N 3.23Å; T170-T172 PolarHBondContact OG1-N 3.46Å; T170-T172 PolarHBondContact OG1-OG1 3.04Å
173G91Very high93.8Very high50 Ų5078 Ų7852%0.51541%0.408SS..SBendtrans88.7-4.4-179.600000114.8T170 K171T170-G173 PolarHBondContact O-N 3.45Å; T170-G173 VanDerWaalsContact O-N 3.09Å; K171-G173 VanDerWaalsContact C-N 3.34Å
174E94.8Very high93.7Very high134 Ų13478 Ų7863%0.62640%0.402SS*.PPolyproline II helixtrans-70.1152.8176.6-62.4174.8159.300111.6T169 T170 R176T169-E174 CarbonylContact C-O 3.37Å; T169-E174 WeakPolarHBondContact CA-O 3.45Å; T169-E174 WeakPolarHBondContact CB-O 3.23Å; T170-E174 HydrophobicContact CG2-CB 4.36Å; T170-E174 PolarHBondContact N-O 2.92Å; T170-E174 PolarHBondContact OG1-N 3.28Å; T170-E174 PolarHBondContact OG1-O 3.08Å; E174-R176 PolarHBondContact O-N 3Å
175L96.1Very high93.3Very high52 Ų5281.6 Ų81.627%0.27241%0.414SS..BIsolated β-bridgetrans-66.7135.4175.2-62.1178000110.9Y168 T169 F266Y168-L175 HydrophobicContact CD2-CD2 3.43Å; Y168-L175 VanDerWaalsContact CD2-CD2 3.43Å; Y168-L175 HydrophobicContact CE2-CD2 3.4Å; T169-L175 HydrophobicContact CG2-CD2 4.47Å; L175-F266 HydrophobicContact CB-CD1 4.44Å; L175-F266 HydrophobicContact CD1-CB 4.16Å; L175-F266 HydrophobicContact CD1-CD1 3.88Å; L175-F266 WeakPolarHBondContact CD1-O 3.34Å
176R97Very high93Very high109 Ų10981.3 Ų81.341%0.41141%0.412SS..PPolyproline II helixtrans-68151.8169.5-69178.3177.8-99.3-1.4109.9C167 Y168 T169 T170 E174 Y265C167-R176 WeakPolarHBondContact O-CD 3.4Å; Y168-R176 PolarHBondContact O-N 3.41Å; T169-R176 PolarHBondContact O-NE 2.83Å; T169-R176 PolarHBondContact O-NH2 2.93Å; T170-R176 HydrophobicContact CG2-CG 4.19Å; E174-R176 PolarHBondContact O-N 3Å; R176-Y265 VanDerWaalsContact O-CE1 3.23Å; R176-Y265 WeakPolarHBondContact O-CE1 3.49Å; R176-Y265 PolarHBondContact O-OH 2.87Å; R176-Y265 VanDerWaalsContact O-OH 3.05Å
177Q96.6Very high93Very high147 Ų14779 Ų7969%0.68741%0.406SS*.PPolyproline II helixtrans-68.9138.3171.2-67.7-60.6-30.500110.7
178P95.9Very high92.9Very high50 Ų5078.7 Ų78.733%0.32540%0.402SS..PPolyproline II helixtrans-67.6136.217927.9-33.4000110.4E200 Y265 F266P178-E200 HydrophobicContact CB-CB 3.73Å; P178-E200 HydrophobicContact CB-CG 4.16Å; P178-Y265 HydrophobicContact CB-CD1 4.04Å; P178-Y265 HydrophobicContact CB-CE1 4.07Å; P178-Y265 HydrophobicContact CB-CG 4.28Å; P178-Y265 HydrophobicContact CG-CD1 4.11Å; P178-Y265 HydrophobicContact CG-CE1 4.29Å; P178-F266 HydrophobicContact CG-CE2 4.42Å; P178-F266 HydrophobicContact CG-CZ 3.96Å
179R94.6Very high92.8Very high100 Ų10082 Ų8238%0.37741%0.414SS..PPolyproline II helixtrans-68.8144171.8-67.4172.9-69.41693.8109.9R166 K181 C182 E200R166-R179 VanDerWaalsContact CZ-CZ 3.45Å; R166-R179 VanDerWaalsContact NH2-NE 3.14Å; R179-K181 VanDerWaalsContact C-N 3.32Å; R179-K181 PolarHBondContact O-N 2.93Å; R179-C182 VanDerWaalsContact CZ-SG 3.5Å; R179-C182 PolarHBondContact NE-SG 3.34Å; R179-C182 PolarHBondContact NH2-SG 2.95Å; R179-E200 IonicContact CZ-OE1 3.75Å; R179-E200 IonicContact CZ-OE2 3.93Å; R179-E200 VanDerWaalsContact CZ-OE2 3.29Å; R179-E200 IonicContact NE-OE1 3.66Å; R179-E200 IonicContact NE-OE2 2.71Å; R179-E200 PolarHBondContact NE-OE2 2.91Å; R179-E200 VanDerWaalsContact NH2-CD 3.32Å; R179-E200 IonicContact NH2-OE1 3.69Å; R179-E200 PolarHBondContact NH2-OE1 2.8Å; R179-E200 IonicContact NH2-OE2 3.59Å; R179-E200 PolarHBondContact NH2-OE2 3.38Å; R179-E200 VanDerWaalsContact NH2-OE2 3.08Å
180I90.6Very high92.8Very high177 Ų17781.3 Ų81.391%0.90841%0.41SS*.SBendtrans-60.2-42-178.8-60.4173.9000111.5
181K89.2Confident92.8Very high181 Ų18179.8 Ų79.879%0.78740%0.401SS*.  trans-137.3130178.6-167.7173.7-176.1176.90110R179R179-K181 VanDerWaalsContact C-N 3.32Å; R179-K181 PolarHBondContact O-N 2.93Å
182C91.1Very high93.1Very high12 Ų1269.4 Ų69.48%0.08136%0.356CS..  trans-116.2136.2175.9-70.90000110R179 G198 E200R179-C182 VanDerWaalsContact CZ-SG 3.5Å; R179-C182 PolarHBondContact NE-SG 3.34Å; R179-C182 PolarHBondContact NH2-SG 2.95Å; C182-G198 PolarHBondContact N-O 3.29Å; C182-G198 WeakPolarHBondContact O-CA 3.37Å; C182-E200 PolarHBondContact SG-OE1 3.42Å
183G88.8Confident93.3Very high59 Ų5965.3 Ų65.361%0.60833%0.331SS*.  trans-66.7143.7167.300000110.4R185G183-R185 PolarHBondContact O-N 3.04Å
184F89.4Confident93.5Very high20 Ų2064.4 Ų64.49%0.08832%0.315CS..  trans-60.9134173.7-174.6-89.7000110G186 I188 A191 A195 K230F184-G186 WeakPolarHBondContact CE1-O 3.25Å; F184-I188 HydrophobicContact CE1-CG1 3.8Å; F184-I188 HydrophobicContact CZ-CB 4.48Å; F184-I188 HydrophobicContact CZ-CG1 3.94Å; F184-A191 HydrophobicContact CE2-CB 3.59Å; F184-A191 HydrophobicContact CZ-CB 3.57Å; F184-A195 HydrophobicContact CD2-CB 4.37Å; F184-A195 WeakPolarHBondContact CD2-O 3.24Å; F184-A195 HydrophobicContact CE2-CB 4.11Å; F184-K230 HydrophobicContact CB-CD 4.14Å; F184-K230 HydrophobicContact CD1-CD 4.18Å; F184-K230 HydrophobicContact CD2-CD 4.12Å; F184-K230 HydrophobicContact CG-CD 3.88Å
185R83.3Confident93.5Very high99 Ų9958.4 Ų58.437%0.37429%0.288SS..  trans-141.9146.1175.8-66.5-67.5-177.4-113.111.6108G183 S329G183-R185 PolarHBondContact O-N 3.04Å; R185-S329 PolarHBondContact NH1-O 2.88Å
186G89.8Confident93.5Very high1 Ų157.3 Ų57.31%0.0128%0.281CS..SBendtrans97.8-174.5-178.500000113.4D139 F184D139-G186 WeakPolarHBondContact OD1-CA 3.34Å; F184-G186 WeakPolarHBondContact CE1-O 3.25Å
187T93.6Very high93.3Very high25 Ų2554.5 Ų54.515%0.15328%0.281CS..  trans-85.7120.8-177.1-65.50000112.2D139 K141 R189 Y190 A191 V325D139-T187 PolarHBondContact OD1-N 3.35Å; D139-T187 PolarHBondContact OD1-OG1 2.82Å; K141-T187 VanDerWaalsContact CD-OG1 3.3Å; K141-T187 WeakPolarHBondContact CD-OG1 3.26Å; K141-T187 PolarHBondContact NZ-OG1 3.44Å; K141-T187 VanDerWaalsContact NZ-OG1 3.12Å; T187-R189 HydrophobicContact CG2-CB 4.15Å; T187-R189 PolarHBondContact O-N 2.71Å; T187-Y190 HydrophobicContact CG2-CD2 3.78Å; T187-Y190 HydrophobicContact CG2-CE2 4.06Å; T187-Y190 PolarHBondContact O-N 2.97Å; T187-A191 PolarHBondContact O-N 3.49Å; T187-V325 WeakPolarHBondContact OG1-CG2 3.42Å
188I94.8Very high93.2Very high26 Ų2648.4 Ų48.413%0.13326%0.258CS..THydrogen-bonded Turntrans-42.8-44.5179.9-70.6173.8000113.1F184 Y190 H196 K230 V233 K237 T328F184-I188 HydrophobicContact CE1-CG1 3.8Å; F184-I188 HydrophobicContact CZ-CB 4.48Å; F184-I188 HydrophobicContact CZ-CG1 3.94Å; I188-Y190 PolarHBondContact O-N 3.39Å; I188-H196 PolarHBondContact O-NE2 3.3Å; I188-K230 HydrophobicContact CD1-CB 3.94Å; I188-K230 HydrophobicContact CD1-CG 4.44Å; I188-K230 HydrophobicContact CG1-CB 4.41Å; I188-K230 HydrophobicContact CG1-CG 4.41Å; I188-V233 HydrophobicContact CG2-CB 3.91Å; I188-V233 HydrophobicContact CG2-CG1 3.91Å; I188-V233 HydrophobicContact CG2-CG2 3.83Å; I188-K237 PolarHBondContact O-NZ 3.39Å; I188-T328 HydrophobicContact CD1-CG2 4.09Å
189R95.7Very high93.2Very high91 Ų9151.5 Ų51.534%0.34327%0.266SS..THydrogen-bonded Turntrans-60.3-40.9-175.4-171.7178.6-61.1172.75.9113T187 E216 L222 W224 K237T187-R189 HydrophobicContact CG2-CB 4.15Å; T187-R189 PolarHBondContact O-N 2.71Å; R189-E216 WeakPolarHBondContact CD-OE1 3.42Å; R189-E216 IonicContact CZ-OE1 2.73Å; R189-E216 IonicContact NE-OE1 3.35Å; R189-E216 IonicContact NH1-OE1 2.86Å; R189-E216 PolarHBondContact NH1-OE1 3.01Å; R189-L222 HydrophobicContact CG-CD1 3.75Å; R189-W224 PolarHBondContact O-NE1 2.86Å; R189-K237 PolarHBondContact O-NZ 3.05Å
190Y97.2Very high93.3Very high5 Ų547.3 Ų47.32%0.0225%0.251CS..THydrogen-bonded Turntrans-104.8-13.7-174.1-49.1-73.7000113.3I140 K141 P142 T187 I188 S209 Y212 E216 L222I140-Y190 WeakPolarHBondContact O-CB 3.33Å; K141-Y190 HydrophobicContact CB-CD2 3.35Å; K141-Y190 HydrophobicContact CB-CE2 3.55Å; K141-Y190 HydrophobicContact CB-CG 4.11Å; P142-Y190 WeakPolarHBondContact CD-OH 3.3Å; P142-Y190 HydrophobicContact CG-CE1 4.24Å; P142-Y190 WeakPolarHBondContact CG-OH 3.16Å; T187-Y190 HydrophobicContact CG2-CD2 3.78Å; T187-Y190 HydrophobicContact CG2-CE2 4.06Å; T187-Y190 PolarHBondContact O-N 2.97Å; I188-Y190 PolarHBondContact O-N 3.39Å; Y190-S209 WeakPolarHBondContact O-CA 3.39Å; Y190-S209 PolarHBondContact O-OG 3.04Å; Y190-S209 VanDerWaalsContact O-OG 3.1Å; Y190-Y212 WeakPolarHBondContact O-CD2 3.49Å; Y190-E216 PolarHBondContact OH-OE1 3.48Å; Y190-E216 PolarHBondContact OH-OE2 3.35Å; Y190-L222 HydrophobicContact CD1-CD1 4.24Å; Y190-L222 HydrophobicContact CE1-CD1 4.17Å
191A96.4Very high93.6Very high9 Ų939.8 Ų39.87%0.07421%0.212CC..  trans-57.6139.418000000113.5F184 T187 A195 K237F184-A191 HydrophobicContact CE2-CB 3.59Å; F184-A191 HydrophobicContact CZ-CB 3.57Å; T187-A191 PolarHBondContact O-N 3.49Å; A191-A195 HydrophobicContact CB-CB 3.9Å; A191-K237 PolarHBondContact O-NZ 3.29Å
192S96.8Very high94Very high1 Ų131.3 Ų31.31%0.00718%0.176CC..  trans-65.4164.4-179.977.90000113.1N194 A195 H196 D205S192-N194 PolarHBondContact O-N 2.99Å; S192-N194 PolarHBondContact OG-N 3Å; S192-A195 WeakPolarHBondContact O-CB 3Å; S192-A195 PolarHBondContact O-N 3.04Å; S192-A195 VanDerWaalsContact O-N 3.15Å; S192-A195 PolarHBondContact OG-N 3.11Å; S192-H196 PolarHBondContact O-CD2 3.3Å; S192-H196 PolarHBondContact O-N 3.49Å; S192-D205 VanDerWaalsContact CB-OD1 3.24Å; S192-D205 WeakPolarHBondContact CB-OD1 3.48Å; S192-D205 PolarHBondContact OG-OD1 3.08Å
193P95.6Very high94.3Very high23 Ų2331.7 Ų31.715%0.14918%0.176CC..Hα-helixtrans-55.6-33.2170.6-25.735.1000113.5H196 A197 K237 M238P193-H196 PolarHBondContact O-N 2.92Å; P193-A197 WeakPolarHBondContact O-CB 3.45Å; P193-A197 PolarHBondContact O-N 3.4Å; P193-K237 HydrophobicContact CG-CB 4.44Å; P193-M238 HydrophobicContact CB-CG 4.36Å
194N95.8Very high94.8Very high32 Ų3229.1 Ų29.117%0.17115%0.148CC..Hα-helixtrans-69.5-36.8178-63-47.5000112.3S192 H196 A197 G198 K199 L201 H204 D205S192-N194 PolarHBondContact O-N 2.99Å; S192-N194 PolarHBondContact OG-N 3Å; N194-H196 VanDerWaalsContact C-N 3.34Å; N194-A197 CarbonylContact O-C 3.54Å; N194-A197 PolarHBondContact O-N 3.07Å; N194-G198 PolarHBondContact O-N 2.87Å; N194-K199 HydrophobicContact CB-CB 4.21Å; N194-K199 HydrophobicContact CB-CD 4.23Å; N194-K199 PolarHBondContact O-N 3.01Å; N194-K199 PolarHBondContact OD1-NZ 3.08Å; N194-L201 HydrophobicContact CB-CD2 4.41Å; N194-H204 PolarHBondContact ND2-NE2 3.11Å; N194-H204 VanDerWaalsContact ND2-NE2 3.12Å; N194-D205 WeakPolarHBondContact CB-OD1 3.45Å; N194-D205 PolarHBondContact ND2-OD1 2.94Å
195A95.8Very high95.2Very high7 Ų728.3 Ų28.36%0.05815%0.145CC..Hα-helixtrans-61.3-44.9173.400000111.3F184 A191 S192 A197 G198 L201F184-A195 HydrophobicContact CD2-CB 4.37Å; F184-A195 WeakPolarHBondContact CD2-O 3.24Å; F184-A195 HydrophobicContact CE2-CB 4.11Å; A191-A195 HydrophobicContact CB-CB 3.9Å; S192-A195 WeakPolarHBondContact O-CB 3Å; S192-A195 PolarHBondContact O-N 3.04Å; S192-A195 VanDerWaalsContact O-N 3.15Å; S192-A195 PolarHBondContact OG-N 3.11Å; A195-A197 VanDerWaalsContact C-N 3.3Å; A195-A197 PolarHBondContact O-N 2.81Å; A195-G198 PolarHBondContact O-N 3.1Å; A195-G198 VanDerWaalsContact O-N 3.13Å; A195-L201 HydrophobicContact CB-CD1 4.3Å; A195-L201 HydrophobicContact CB-CD2 3.72Å
196H95.2Very high96Very high30 Ų3023.7 Ų23.714%0.13913%0.127CC..Hα-helixtrans-62.1-36.1174.5-81-74.8000112.8I188 S192 P193 N194 G198 K230 G234I188-H196 PolarHBondContact O-NE2 3.3Å; S192-H196 PolarHBondContact O-CD2 3.3Å; S192-H196 PolarHBondContact O-N 3.49Å; P193-H196 PolarHBondContact O-N 2.92Å; N194-H196 VanDerWaalsContact C-N 3.34Å; H196-G198 PolarHBondContact O-N 3.16Å; H196-K230 PolarHBondContact CE1-O 3.4Å; H196-K230 VanDerWaalsContact CE1-O 3.26Å; H196-K230 PolarHBondContact ND1-O 3.29Å; H196-K230 VanDerWaalsContact ND1-O 3.09Å; H196-G234 VanDerWaalsContact CG-CA 3.46Å; H196-G234 WeakPolarHBondContact ND1-CA 3.5Å
197A94.1Very high96.4Very high50 Ų5023.6 Ų23.641%0.41313%0.127SC..THydrogen-bonded Turntrans-77.7017600000114.5P193 N194 A195 K199 M238P193-A197 WeakPolarHBondContact O-CB 3.45Å; P193-A197 PolarHBondContact O-N 3.4Å; N194-A197 CarbonylContact O-C 3.54Å; N194-A197 PolarHBondContact O-N 3.07Å; A195-A197 VanDerWaalsContact C-N 3.3Å; A195-A197 PolarHBondContact O-N 2.81Å; A197-K199 VanDerWaalsContact C-N 3.29Å; A197-K199 HydrophobicContact CB-CD 4.5Å; A197-K199 HydrophobicContact CB-CG 4.22Å; A197-K199 PolarHBondContact O-N 2.71Å; A197-M238 HydrophobicContact CB-CE 4.22Å
198G93.9Very high96.6Very high19 Ų1923.2 Ų23.220%0.19612%0.123CC..THydrogen-bonded Turntrans69.123.4179.100000114.6C182 N194 A195 H196C182-G198 PolarHBondContact N-O 3.29Å; C182-G198 WeakPolarHBondContact O-CA 3.37Å; N194-G198 PolarHBondContact O-N 2.87Å; A195-G198 PolarHBondContact O-N 3.1Å; A195-G198 VanDerWaalsContact O-N 3.13Å; H196-G198 PolarHBondContact O-N 3.16Å
199K95.4Very high96.8Very high114 Ų11422.3 Ų22.350%0.49612%0.119SC..PPolyproline II helixtrans-81160.9175.7-62.5-179-175.2173.50111.1N194 A197 L201N194-K199 HydrophobicContact CB-CB 4.21Å; N194-K199 HydrophobicContact CB-CD 4.23Å; N194-K199 PolarHBondContact O-N 3.01Å; N194-K199 PolarHBondContact OD1-NZ 3.08Å; A197-K199 VanDerWaalsContact C-N 3.29Å; A197-K199 HydrophobicContact CB-CD 4.5Å; A197-K199 HydrophobicContact CB-CG 4.22Å; A197-K199 PolarHBondContact O-N 2.71Å; K199-L201 PolarHBondContact O-N 2.93Å
200E96.2Very high96.9Very high13 Ų1318 Ų186%0.06110%0.102CC..PPolyproline II helixtrans-65.2132.4166.3-172.870.6-71.600110R166 P178 R179 C182 Y265R166-E200 IonicContact CZ-OE2 2.72Å; R166-E200 IonicContact NE-OE1 2.75Å; R166-E200 IonicContact NE-OE2 3.95Å; R166-E200 PolarHBondContact NE-OE2 3Å; R166-E200 IonicContact NH2-OE2 2.77Å; R166-E200 PolarHBondContact NH2-OE2 2.82Å; P178-E200 HydrophobicContact CB-CB 3.73Å; P178-E200 HydrophobicContact CB-CG 4.16Å; R179-E200 IonicContact CZ-OE1 3.75Å; R179-E200 IonicContact CZ-OE2 3.93Å; R179-E200 VanDerWaalsContact CZ-OE2 3.29Å; R179-E200 IonicContact NE-OE1 3.66Å; R179-E200 IonicContact NE-OE2 2.71Å; R179-E200 PolarHBondContact NE-OE2 2.91Å; R179-E200 VanDerWaalsContact NH2-CD 3.32Å; R179-E200 IonicContact NH2-OE1 3.69Å; R179-E200 PolarHBondContact NH2-OE1 2.8Å; R179-E200 IonicContact NH2-OE2 3.59Å; R179-E200 PolarHBondContact NH2-OE2 3.38Å; R179-E200 VanDerWaalsContact NH2-OE2 3.08Å; C182-E200 PolarHBondContact SG-OE1 3.42Å; E200-Y265 HydrophobicContact CB-CD2 4.47Å; E200-Y265 HydrophobicContact CB-CE2 4.36Å; E200-Y265 HydrophobicContact CG-CD2 4.17Å; E200-Y265 HydrophobicContact CG-CE2 3.59Å
201L97.2Very high97Very high19 Ų1917.7 Ų17.710%0.09910%0.101CC..PPolyproline II helixtrans-81.2138.3-178.4-56.3-172.5000110.4L136 R138 N194 A195 K199 D205 Y265L136-L201 HydrophobicContact CD1-CB 4.36Å; L136-L201 WeakPolarHBondContact CD1-O 3.49Å; R138-L201 HydrophobicContact CB-CD1 4.24Å; R138-L201 HydrophobicContact CG-CD1 4.18Å; N194-L201 HydrophobicContact CB-CD2 4.41Å; A195-L201 HydrophobicContact CB-CD1 4.3Å; A195-L201 HydrophobicContact CB-CD2 3.72Å; K199-L201 PolarHBondContact O-N 2.93Å; L201-D205 VanDerWaalsContact CA-OD2 3.28Å; L201-D205 WeakPolarHBondContact CA-OD2 3.24Å; L201-D205 HydrophobicContact CB-CB 4.17Å; L201-D205 HydrophobicContact CD2-CB 4.14Å; L201-Y265 VanDerWaalsContact O-CE2 3.27Å; L201-Y265 WeakPolarHBondContact O-CE2 3.33Å
202G97.6Very high97.1Very high3 Ų317.4 Ų17.43%0.03110%0.098CC..  trans-110.3-173.9170.200000111.9H204 D205G202-H204 VanDerWaalsContact C-N 3.26Å; G202-H204 PolarHBondContact O-N 3.16Å; G202-D205 PolarHBondContact N-OD2 3.35Å; G202-D205 WeakPolarHBondContact O-CB 3.41Å; G202-D205 PolarHBondContact O-N 3.37Å; G202-D205 VanDerWaalsContact O-N 3.15Å
203R98.6Very high97.1Very high19 Ų1917.4 Ų17.47%0.07210%0.098CC..Hα-helixtrans-62.3-32.9-178.6-68.3168.6-76.4-169.2-1112.9H131 L136 Y168 D205 D206 F266 D267 T268 P269 Y271H131-R203 HydrophobicContact CB-CG 4.34Å; H131-R203 PolarHBondContact CE1-O 3.33Å; H131-R203 VanDerWaalsContact CE1-O 3.25Å; L136-R203 HydrophobicContact CD2-CB 4.24Å; L136-R203 HydrophobicContact CD2-CG 3.66Å; Y168-R203 HydrophobicContact CE1-CG 4.36Å; Y168-R203 HydrophobicContact CE2-CG 4.31Å; R203-D205 VanDerWaalsContact C-N 3.25Å; R203-D205 PolarHBondContact O-N 3.15Å; R203-D206 PolarHBondContact O-N 3.12Å; R203-F266 PolarHBondContact NH2-O 2.88Å; R203-D267 PolarHBondContact NE-O 3.31Å; R203-D267 PolarHBondContact NH2-O 2.85Å; R203-T268 VanDerWaalsContact CZ-OG1 3.28Å; R203-T268 PolarHBondContact NH1-OG1 3.34Å; R203-T268 PolarHBondContact NH2-OG1 2.72Å; R203-T268 VanDerWaalsContact NH2-OG1 3.09Å; R203-P269 HydrophobicContact CB-CG 3.7Å; R203-Y271 WeakPolarHBondContact CD-OH 3.37Å
204H98.4Very high97.3Very high5 Ų516.3 Ų16.32%0.0239%0.091CC..Hα-helixtrans-67.8-23.7178.360.6-64.7000113N194 G202 L207 Y208 L263N194-H204 PolarHBondContact ND2-NE2 3.11Å; N194-H204 VanDerWaalsContact ND2-NE2 3.12Å; G202-H204 VanDerWaalsContact C-N 3.26Å; G202-H204 PolarHBondContact O-N 3.16Å; H204-L207 PolarHBondContact O-N 3.48Å; H204-Y208 WeakPolarHBondContact O-CD2 3.32Å; H204-Y208 PolarHBondContact O-N 2.83Å; H204-L263 HydrophobicContact CB-CB 3.67Å; H204-L263 HydrophobicContact CB-CD1 3.72Å; H204-L263 HydrophobicContact CB-CG 4.36Å
205D98.4Very high97.4Very high3 Ų314.9 Ų14.92%0.0168%0.083CC..Hα-helixtrans-73.5-33.7179.8-63.9-62.4000112.6S192 N194 L201 G202 R203 L207 Y208 S209S192-D205 VanDerWaalsContact CB-OD1 3.24Å; S192-D205 WeakPolarHBondContact CB-OD1 3.48Å; S192-D205 PolarHBondContact OG-OD1 3.08Å; N194-D205 WeakPolarHBondContact CB-OD1 3.45Å; N194-D205 PolarHBondContact ND2-OD1 2.94Å; L201-D205 VanDerWaalsContact CA-OD2 3.28Å; L201-D205 WeakPolarHBondContact CA-OD2 3.24Å; L201-D205 HydrophobicContact CB-CB 4.17Å; L201-D205 HydrophobicContact CD2-CB 4.14Å; G202-D205 PolarHBondContact N-OD2 3.35Å; G202-D205 WeakPolarHBondContact O-CB 3.41Å; G202-D205 PolarHBondContact O-N 3.37Å; G202-D205 VanDerWaalsContact O-N 3.15Å; R203-D205 VanDerWaalsContact C-N 3.25Å; R203-D205 PolarHBondContact O-N 3.15Å; D205-L207 VanDerWaalsContact C-N 3.34Å; D205-Y208 PolarHBondContact O-N 3.4Å; D205-S209 PolarHBondContact O-N 3.39Å; D205-S209 PolarHBondContact O-OG 2.81Å
206D98.8Very high97.5Very high2 Ų214.7 Ų14.71%0.0118%0.081CC..Hα-helixtrans-64.6-40.4169.8-84-22.5000110.4T127 H131 H137 R138 I140 R203 S209 T210T127-D206 HydrophobicContact CG2-CB 4Å; H131-D206 IonicContact NE2-OD2 2.83Å; H131-D206 PolarHBondContact NE2-OD2 2.83Å; H131-D206 VanDerWaalsContact NE2-OD2 3.12Å; H137-D206 PolarHBondContact N-OD2 3.45Å; R138-D206 WeakPolarHBondContact CA-OD1 3.45Å; R138-D206 PolarHBondContact N-OD1 3.01Å; R138-D206 PolarHBondContact N-OD2 2.92Å; I140-D206 HydrophobicContact CD1-CB 3.65Å; R203-D206 PolarHBondContact O-N 3.12Å; D206-S209 VanDerWaalsContact O-CB 3.31Å; D206-S209 WeakPolarHBondContact O-CB 3.22Å; D206-S209 PolarHBondContact O-N 3.14Å; D206-S209 VanDerWaalsContact O-N 3.13Å; D206-T210 PolarHBondContact O-N 3.4Å; D206-T210 PolarHBondContact O-OG1 3.47Å
207L98.8Very high97.6Very high0 Ų013.3 Ų13.30%08%0.075CC..Hα-helixtrans-69.8-32.2176.5-63.8176000113.9V124 T127 H204 D205 S209 T210 L211 W256 L260 P269 Y271 I274V124-L207 HydrophobicContact CG2-CD2 4.42Å; T127-L207 HydrophobicContact CG2-CD2 3.9Å; T127-L207 HydrophobicContact CG2-CG 4.46Å; H204-L207 PolarHBondContact O-N 3.48Å; D205-L207 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 3.07Å; L207-T210 PolarHBondContact O-N 2.95Å; L207-L211 PolarHBondContact O-N 3.36Å; L207-W256 HydrophobicContact CB-CZ2 4.38Å; L207-L260 HydrophobicContact CB-CD1 4.48Å; L207-L260 HydrophobicContact CB-CD2 3.71Å; L207-L260 HydrophobicContact CD1-CD2 4.25Å; L207-P269 HydrophobicContact CD1-CB 3.38Å; L207-P269 HydrophobicContact CD1-CG 3.72Å; L207-Y271 HydrophobicContact CD1-CD1 4.32Å; L207-Y271 HydrophobicContact CD1-CE1 4.1Å; L207-Y271 HydrophobicContact CD2-CD1 4.4Å; L207-Y271 HydrophobicContact CD2-CE1 4.43Å; L207-I274 HydrophobicContact CD1-CD1 3.85Å; L207-I274 HydrophobicContact CD2-CD1 4.43Å
208Y98.1Very high97.8Very high16 Ų1613.9 Ų13.96%0.0637%0.067CC..Hα-helixtrans-57.8-42.3168.2-98.6-68.5000111.4H204 D205 T210 L211 Y212 H257 L260 C261H204-Y208 WeakPolarHBondContact O-CD2 3.32Å; H204-Y208 PolarHBondContact O-N 2.83Å; D205-Y208 PolarHBondContact O-N 3.4Å; Y208-T210 VanDerWaalsContact C-N 3.35Å; Y208-L211 WeakPolarHBondContact O-CB 3.44Å; Y208-L211 PolarHBondContact O-N 3.18Å; Y208-Y212 HydrophobicContact CD1-CE1 4.48Å; Y208-Y212 HydrophobicContact CD1-CE2 4.35Å; Y208-Y212 AromaticContact CD1-CZ 3.95Å; Y208-Y212 WeakPolarHBondContact O-CD2 3.42Å; Y208-Y212 PolarHBondContact O-N 3.37Å; Y208-H257 AromaticContact CE1-NE2 3.93Å; Y208-L260 HydrophobicContact CD1-CD1 4.06Å; Y208-L260 HydrophobicContact CD2-CB 4.23Å; Y208-L260 HydrophobicContact CD2-CD1 4.31Å; Y208-L260 HydrophobicContact CE1-CB 4.17Å; Y208-L260 HydrophobicContact CE1-CD1 4.29Å; Y208-L260 HydrophobicContact CE2-CB 3.73Å; Y208-L260 HydrophobicContact CG-CD1 4.05Å; Y208-C261 WeakPolarHBondContact OH-CA 3.3Å; Y208-C261 PolarHBondContact OH-N 3.15Å; Y208-C261 PolarHBondContact OH-SG 3.13Å
209S98.5Very high97.9Very high7 Ų714.2 Ų14.25%0.0496%0.064CC..Hα-helixtrans-65.2-40.7179.1-52.70000110.9Y190 D205 D206 L207 Y212 M213Y190-S209 WeakPolarHBondContact O-CA 3.39Å; Y190-S209 PolarHBondContact O-OG 3.04Å; Y190-S209 VanDerWaalsContact O-OG 3.1Å; D205-S209 PolarHBondContact O-N 3.39Å; D205-S209 PolarHBondContact O-OG 2.81Å; D206-S209 VanDerWaalsContact O-CB 3.31Å; D206-S209 WeakPolarHBondContact O-CB 3.22Å; D206-S209 PolarHBondContact O-N 3.14Å; D206-S209 VanDerWaalsContact O-N 3.13Å; L207-S209 PolarHBondContact O-N 3.07Å; S209-Y212 PolarHBondContact O-N 2.9Å; S209-M213 WeakPolarHBondContact O-CB 3.31Å; S209-M213 PolarHBondContact O-N 3.38Å
210T98.8Very high97.9Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-62.7-41.3173.9-52.20000112C123 V124 D206 L207 Y208 M213 A214 W256C123-T210 HydrophobicContact CB-CG2 3.77Å; V124-T210 HydrophobicContact CG2-CG2 4.29Å; D206-T210 PolarHBondContact O-N 3.4Å; D206-T210 PolarHBondContact O-OG1 3.47Å; L207-T210 PolarHBondContact O-N 2.95Å; Y208-T210 VanDerWaalsContact C-N 3.35Å; T210-M213 HydrophobicContact CG2-CE 4.21Å; T210-M213 WeakPolarHBondContact O-CB 3.45Å; T210-M213 PolarHBondContact O-N 3.18Å; T210-A214 PolarHBondContact O-N 3.48Å; T210-W256 HydrophobicContact CG2-CH2 3.91Å
211L98.5Very high97.8Very high0 Ų015.8 Ų15.80%07%0.071CC..Hα-helixtrans-61.1-48.4175.8175.764.4000111.5L207 Y208 M213 A214 V215 L246 F253 W256 H257 L260L207-L211 PolarHBondContact O-N 3.36Å; Y208-L211 WeakPolarHBondContact O-CB 3.44Å; Y208-L211 PolarHBondContact O-N 3.18Å; L211-M213 VanDerWaalsContact C-N 3.31Å; L211-M213 PolarHBondContact O-N 2.99Å; L211-A214 WeakPolarHBondContact O-CB 3.44Å; L211-A214 PolarHBondContact O-N 3.38Å; L211-V215 WeakPolarHBondContact O-CG2 3.42Å; L211-V215 PolarHBondContact O-N 3.26Å; L211-V215 VanDerWaalsContact O-N 3.07Å; L211-L246 HydrophobicContact CD1-CD2 4.31Å; L211-F253 HydrophobicContact CD1-CB 4.36Å; L211-F253 HydrophobicContact CD1-CD1 3.69Å; L211-W256 HydrophobicContact CB-CE3 4.43Å; L211-W256 HydrophobicContact CB-CH2 4.01Å; L211-W256 HydrophobicContact CB-CZ2 4.25Å; L211-W256 HydrophobicContact CB-CZ3 4.11Å; L211-W256 HydrophobicContact CD1-CD2 4.25Å; L211-W256 HydrophobicContact CD1-CE3 3.67Å; L211-W256 HydrophobicContact CD1-CZ3 3.88Å; L211-H257 HydrophobicContact CD2-CB 3.81Å; L211-L260 HydrophobicContact CB-CD1 4.37Å; L211-L260 HydrophobicContact CD2-CD1 4.07Å
212Y98.4Very high97.8Very high3 Ų315 Ų151%0.0127%0.066CC..Hα-helixtrans-64.9-36.6177.7-62.3-32.1000112.4Y190 Y208 S209 V215 E216 W224 K237 L245Y190-Y212 WeakPolarHBondContact O-CD2 3.49Å; Y208-Y212 HydrophobicContact CD1-CE1 4.48Å; Y208-Y212 HydrophobicContact CD1-CE2 4.35Å; Y208-Y212 AromaticContact CD1-CZ 3.95Å; Y208-Y212 WeakPolarHBondContact O-CD2 3.42Å; Y208-Y212 PolarHBondContact O-N 3.37Å; S209-Y212 PolarHBondContact O-N 2.9Å; Y212-V215 PolarHBondContact O-N 3.49Å; Y212-E216 PolarHBondContact O-N 3.15Å; Y212-W224 AromaticContact CD1-CH2 3.83Å; Y212-W224 HydrophobicContact CD1-CH2 3.83Å; Y212-W224 AromaticContact CD1-CZ2 3.95Å; Y212-W224 HydrophobicContact CD1-CZ2 3.95Å; Y212-W224 HydrophobicContact CD2-CZ2 4.18Å; Y212-W224 AromaticContact CE1-CH2 3.67Å; Y212-W224 HydrophobicContact CE1-CH2 3.67Å; Y212-W224 HydrophobicContact CE1-CZ2 4.14Å; Y212-W224 HydrophobicContact CE2-CH2 4.48Å; Y212-W224 HydrophobicContact CE2-CZ2 4.33Å; Y212-W224 HydrophobicContact CG-CH2 4.32Å; Y212-W224 AromaticContact CG-CZ2 3.98Å; Y212-W224 HydrophobicContact CG-CZ2 3.98Å; Y212-K237 HydrophobicContact CE2-CD 4.29Å; Y212-L245 HydrophobicContact CD1-CD2 4.32Å; Y212-L245 HydrophobicContact CE1-CD2 3.84Å
213M98.2Very high97.8Very high1 Ų117.2 Ų17.21%0.0058%0.08CC..Hα-helixtrans-58.4-48.8171.4179.9172.170.900110.5L99 C123 P142 F145 S209 T210 L211 V215 E216 L217L99-M213 HydrophobicContact CD1-SD 4.44Å; C123-M213 HydrophobicContact CB-CE 4.04Å; C123-M213 WeakPolarHBondContact SG-CE 3.28Å; P142-M213 VanDerWaalsContact CA-SD 3.59Å; P142-M213 HydrophobicContact CB-CG 4.17Å; P142-M213 HydrophobicContact CB-SD 3.99Å; P142-M213 HydrophobicContact CG-CG 3.89Å; P142-M213 HydrophobicContact CG-SD 4.18Å; F145-M213 HydrophobicContact CD2-CE 3.9Å; F145-M213 HydrophobicContact CD2-SD 3.82Å; F145-M213 HydrophobicContact CE2-CE 3.84Å; F145-M213 HydrophobicContact CE2-SD 4.11Å; S209-M213 WeakPolarHBondContact O-CB 3.31Å; S209-M213 PolarHBondContact O-N 3.38Å; T210-M213 HydrophobicContact CG2-CE 4.21Å; T210-M213 WeakPolarHBondContact O-CB 3.45Å; T210-M213 PolarHBondContact O-N 3.18Å; L211-M213 VanDerWaalsContact C-N 3.31Å; L211-M213 PolarHBondContact O-N 2.99Å; M213-V215 VanDerWaalsContact C-N 3.32Å; M213-V215 PolarHBondContact O-N 3.17Å; M213-E216 PolarHBondContact O-N 3.36Å; M213-E216 VanDerWaalsContact O-N 3.13Å; M213-L217 HydrophobicContact CG-CD1 3.96Å; M213-L217 HydrophobicContact CG-CG 4.08Å; M213-L217 WeakPolarHBondContact O-CB 3.46Å; M213-L217 VanDerWaalsContact O-CG 3.24Å; M213-L217 WeakPolarHBondContact O-CG 3.42Å; M213-L217 PolarHBondContact O-N 3.13Å
214A98.6Very high97.7Very high0 Ų016.4 Ų16.40%08%0.078CC..Hα-helixtrans-57.8-42.2178.400000113T116 V120 T210 L211 L217 R218 M249 F253T116-A214 HydrophobicContact CG2-CB 4.22Å; V120-A214 HydrophobicContact CG2-CB 3.48Å; V120-A214 VanDerWaalsContact CG2-CB 3.48Å; T210-A214 PolarHBondContact O-N 3.48Å; L211-A214 WeakPolarHBondContact O-CB 3.44Å; L211-A214 PolarHBondContact O-N 3.38Å; A214-L217 PolarHBondContact O-N 3.13Å; A214-R218 WeakPolarHBondContact O-CB 3.28Å; A214-R218 PolarHBondContact O-N 3.48Å; A214-M249 HydrophobicContact CB-CE 4.32Å; A214-F253 HydrophobicContact CB-CD1 4.39Å; A214-F253 HydrophobicContact CB-CE1 3.61Å; A214-F253 HydrophobicContact CB-CZ 4.4Å
215V98.3Very high97.4Very high1 Ų120.5 Ų20.51%0.0069%0.093CC..Hα-helixtrans-62.1-46.1175.5177.20000110.9L211 Y212 M213 R218 N219 L222 L245 L246 M249L211-V215 WeakPolarHBondContact O-CG2 3.42Å; L211-V215 PolarHBondContact O-N 3.26Å; L211-V215 VanDerWaalsContact O-N 3.07Å; Y212-V215 PolarHBondContact O-N 3.49Å; M213-V215 VanDerWaalsContact C-N 3.32Å; M213-V215 PolarHBondContact O-N 3.17Å; V215-R218 PolarHBondContact O-N 2.81Å; V215-N219 VanDerWaalsContact O-CB 3.24Å; V215-N219 WeakPolarHBondContact O-CB 3.35Å; V215-N219 PolarHBondContact O-N 3.32Å; V215-L222 HydrophobicContact CB-CD2 3.91Å; V215-L222 HydrophobicContact CG1-CD2 3.81Å; V215-L245 HydrophobicContact CG1-CD1 4.36Å; V215-L246 HydrophobicContact CG2-CD2 3.62Å; V215-M249 HydrophobicContact CG2-CE 4.32Å; V215-M249 HydrophobicContact CG2-CG 4.07Å; V215-M249 HydrophobicContact CG2-SD 4.28Å
216E97.8Very high97Very high3 Ų325.6 Ų25.61%0.01412%0.121CC..Hα-helixtrans-65.2-42.4177.8-158.2-165.2-11900111.8R103 R189 Y190 Y212 M213 R218 G220 L222R103-E216 IonicContact CZ-OE2 2.72Å; R103-E216 IonicContact NE-OE2 3.43Å; R103-E216 PolarHBondContact NE-OE2 3.33Å; R103-E216 VanDerWaalsContact NH2-CD 3.32Å; R103-E216 IonicContact NH2-OE1 3.97Å; R103-E216 IonicContact NH2-OE2 2.75Å; R103-E216 PolarHBondContact NH2-OE2 3.31Å; R189-E216 WeakPolarHBondContact CD-OE1 3.42Å; R189-E216 IonicContact CZ-OE1 2.73Å; R189-E216 IonicContact NE-OE1 3.35Å; R189-E216 IonicContact NH1-OE1 2.86Å; R189-E216 PolarHBondContact NH1-OE1 3.01Å; Y190-E216 PolarHBondContact OH-OE1 3.48Å; Y190-E216 PolarHBondContact OH-OE2 3.35Å; Y212-E216 PolarHBondContact O-N 3.15Å; M213-E216 PolarHBondContact O-N 3.36Å; M213-E216 VanDerWaalsContact O-N 3.13Å; E216-R218 VanDerWaalsContact C-N 3.32Å; E216-R218 PolarHBondContact O-N 2.91Å; E216-G220 CarbonylContact O-C 3.54Å; E216-G220 WeakPolarHBondContact O-CA 3.15Å; E216-G220 PolarHBondContact O-N 2.84Å; E216-L222 HydrophobicContact CB-CD1 4.29Å; E216-L222 HydrophobicContact CB-CG 4.08Å; E216-L222 HydrophobicContact CG-CG 4.44Å
217L97.9Very high96.8Very high2 Ų228 Ų281%0.0113%0.133CC..Hα-helixtrans-58.6-44.4178.5-71.2-176.5000111.3L99 R103 F111 T116 L119 P142 M213 A214L99-L217 HydrophobicContact CB-CD2 4.44Å; L99-L217 HydrophobicContact CD1-CD1 4.17Å; R103-L217 HydrophobicContact CB-CD2 4.32Å; F111-L217 HydrophobicContact CD2-CB 3.95Å; F111-L217 HydrophobicContact CD2-CD1 4.31Å; F111-L217 HydrophobicContact CD2-CD2 3.9Å; F111-L217 HydrophobicContact CD2-CG 4.25Å; F111-L217 HydrophobicContact CE2-CD1 4.44Å; F111-L217 HydrophobicContact CE2-CD2 3.67Å; F111-L217 HydrophobicContact CE2-CG 4.43Å; F111-L217 PolarHBondContact N-O 3.46Å; T116-L217 HydrophobicContact CG2-CB 4.39Å; L119-L217 HydrophobicContact CD1-CD1 4.12Å; P142-L217 HydrophobicContact CB-CD2 4.25Å; M213-L217 HydrophobicContact CG-CD1 3.96Å; M213-L217 HydrophobicContact CG-CG 4.08Å; M213-L217 WeakPolarHBondContact O-CB 3.46Å; M213-L217 VanDerWaalsContact O-CG 3.24Å; M213-L217 WeakPolarHBondContact O-CG 3.42Å; M213-L217 PolarHBondContact O-N 3.13Å; A214-L217 PolarHBondContact O-N 3.13Å
218R97.4Very high96.1Very high62 Ų6234.7 Ų34.723%0.23417%0.169CC..Hα-helixtrans-77.8-45.3-179.1-176.566.1-168.59210.4113.6K110 F111 T113 T116 A214 V215 E216 M249K110-R218 WeakPolarHBondContact CB-O 3.36Å; F111-R218 WeakPolarHBondContact O-CD 3.24Å; F111-R218 PolarHBondContact O-NH1 3.1Å; T113-R218 PolarHBondContact OG1-NE 2.85Å; T116-R218 HydrophobicContact CG2-CB 4.17Å; A214-R218 WeakPolarHBondContact O-CB 3.28Å; A214-R218 PolarHBondContact O-N 3.48Å; V215-R218 PolarHBondContact O-N 2.81Å; E216-R218 VanDerWaalsContact C-N 3.32Å; E216-R218 PolarHBondContact O-N 2.91Å; R218-M249 HydrophobicContact CB-CE 4.24Å; R218-M249 HydrophobicContact CB-SD 3.75Å; R218-M249 HydrophobicContact CG-SD 3.87Å
219N96.1Very high95.8Very high25 Ų2537.8 Ų37.813%0.13419%0.187CC..Hα-helixtrans-95.4-11.6-169.4-62.9-13.2000112.7K110 V215 R221K110-N219 WeakPolarHBondContact CE-O 3.4Å; K110-N219 PolarHBondContact NZ-O 3.44Å; V215-N219 VanDerWaalsContact O-CB 3.24Å; V215-N219 WeakPolarHBondContact O-CB 3.35Å; V215-N219 PolarHBondContact O-N 3.32Å; N219-R221 PolarHBondContact O-N 2.94Å
220G95.3Very high95.5Very high16 Ų1642 Ų4217%0.16520%0.204CC..SBendtrans83.6-15.2-179.700000113.6R103 Q109 E216R103-G220 PolarHBondContact NH1-O 3.31Å; Q109-G220 WeakPolarHBondContact O-CA 3.33Å; E216-G220 CarbonylContact O-C 3.54Å; E216-G220 WeakPolarHBondContact O-CA 3.15Å; E216-G220 PolarHBondContact O-N 2.84Å
221R95.2Very high95.3Very high145 Ų14547.8 Ų47.855%0.54723%0.231SC..SBendtrans-154.6154.7-179.562.6-178-178.9-179.9-1111.7N219 Y225N219-R221 PolarHBondContact O-N 2.94Å; R221-Y225 HydrophobicContact CB-CD1 4.17Å; R221-Y225 HydrophobicContact CB-CG 4.03Å; R221-Y225 HydrophobicContact CG-CD1 4.44Å; R221-Y225 PolarHBondContact NH1-OH 3.48Å
222L96.6Very high95.2Very high1 Ų152.7 Ų52.71%0.00525%0.254CS..  trans-93.4157.4164.9-75.6160.9000110.5R189 Y190 V215 E216 W224 Y225 L245R189-L222 HydrophobicContact CG-CD1 3.75Å; Y190-L222 HydrophobicContact CD1-CD1 4.24Å; Y190-L222 HydrophobicContact CE1-CD1 4.17Å; V215-L222 HydrophobicContact CB-CD2 3.91Å; V215-L222 HydrophobicContact CG1-CD2 3.81Å; E216-L222 HydrophobicContact CB-CD1 4.29Å; E216-L222 HydrophobicContact CB-CG 4.08Å; E216-L222 HydrophobicContact CG-CG 4.44Å; L222-W224 HydrophobicContact CB-CD2 4.32Å; L222-W224 HydrophobicContact CB-CZ2 4.2Å; L222-W224 HydrophobicContact CD1-CZ2 3.98Å; L222-W224 HydrophobicContact CD2-CH2 4.22Å; L222-W224 HydrophobicContact CD2-CZ2 3.79Å; L222-W224 HydrophobicContact CG-CZ2 4.21Å; L222-W224 PolarHBondContact O-N 2.73Å; L222-W224 VanDerWaalsContact O-N 3.15Å; L222-Y225 VanDerWaalsContact O-CB 3.29Å; L222-Y225 WeakPolarHBondContact O-CB 3.49Å; L222-Y225 WeakPolarHBondContact O-CD1 3.38Å; L222-Y225 PolarHBondContact O-N 3.12Å; L222-L245 HydrophobicContact CD2-CD1 4.26Å
223P96.5Very high95.1Very high50 Ų5052.6 Ų52.633%0.32525%0.254SS..THydrogen-bonded Turntrans-55.9-32.3178.9-29.538.5000114.3M236 I240 L245P223-M236 HydrophobicContact CB-SD 4.35Å; P223-I240 HydrophobicContact CB-CD1 3.44Å; P223-I240 VanDerWaalsContact CB-CD1 3.44Å; P223-I240 HydrophobicContact CG-CD1 3.46Å; P223-I240 VanDerWaalsContact CG-CD1 3.46Å; P223-L245 HydrophobicContact CG-CD1 3.88Å
224W96.3Very high95Very high3 Ų352.7 Ų52.71%0.01126%0.255CS..THydrogen-bonded Turntrans-92.118.8177.750.482.8000114.2R189 Y212 L222 N226 L227 V233 M236 K237 I240 L245R189-W224 PolarHBondContact O-NE1 2.86Å; Y212-W224 AromaticContact CD1-CH2 3.83Å; Y212-W224 HydrophobicContact CD1-CH2 3.83Å; Y212-W224 AromaticContact CD1-CZ2 3.95Å; Y212-W224 HydrophobicContact CD1-CZ2 3.95Å; Y212-W224 HydrophobicContact CD2-CZ2 4.18Å; Y212-W224 AromaticContact CE1-CH2 3.67Å; Y212-W224 HydrophobicContact CE1-CH2 3.67Å; Y212-W224 HydrophobicContact CE1-CZ2 4.14Å; Y212-W224 HydrophobicContact CE2-CH2 4.48Å; Y212-W224 HydrophobicContact CE2-CZ2 4.33Å; Y212-W224 HydrophobicContact CG-CH2 4.32Å; Y212-W224 AromaticContact CG-CZ2 3.98Å; Y212-W224 HydrophobicContact CG-CZ2 3.98Å; L222-W224 HydrophobicContact CB-CD2 4.32Å; L222-W224 HydrophobicContact CB-CZ2 4.2Å; L222-W224 HydrophobicContact CD1-CZ2 3.98Å; L222-W224 HydrophobicContact CD2-CH2 4.22Å; L222-W224 HydrophobicContact CD2-CZ2 3.79Å; L222-W224 HydrophobicContact CG-CZ2 4.21Å; L222-W224 PolarHBondContact O-N 2.73Å; L222-W224 VanDerWaalsContact O-N 3.15Å; W224-N226 PolarHBondContact O-N 2.82Å; W224-L227 HydrophobicContact CB-CB 4.44Å; W224-L227 HydrophobicContact CB-CD1 4Å; W224-L227 HydrophobicContact CB-CG 4.43Å; W224-L227 PolarHBondContact O-N 2.8Å; W224-V233 HydrophobicContact CB-CG1 4.34Å; W224-V233 HydrophobicContact CB-CG2 4.35Å; W224-V233 HydrophobicContact CG-CG1 3.97Å; W224-M236 HydrophobicContact CB-SD 3.69Å; W224-M236 HydrophobicContact CE3-CG 4.25Å; W224-M236 HydrophobicContact CE3-SD 4.28Å; W224-K237 HydrophobicContact CD2-CG 4.14Å; W224-K237 HydrophobicContact CE3-CG 3.9Å; W224-K237 HydrophobicContact CH2-CD 4.45Å; W224-K237 HydrophobicContact CH2-CG 3.77Å; W224-K237 HydrophobicContact CZ2-CD 4.25Å; W224-K237 HydrophobicContact CZ2-CG 4.01Å; W224-K237 HydrophobicContact CZ3-CG 3.71Å; W224-I240 HydrophobicContact CZ3-CG2 4.36Å; W224-L245 HydrophobicContact CH2-CD1 3.87Å; W224-L245 HydrophobicContact CZ3-CD1 4.04Å
225Y92.6Very high94.9Very high90 Ų9058.4 Ų58.435%0.35328%0.28SS..THydrogen-bonded Turntrans-60.7-28.7-172.880.3-76.2000115R221 L222R221-Y225 HydrophobicContact CB-CD1 4.17Å; R221-Y225 HydrophobicContact CB-CG 4.03Å; R221-Y225 HydrophobicContact CG-CD1 4.44Å; R221-Y225 PolarHBondContact NH1-OH 3.48Å; L222-Y225 VanDerWaalsContact O-CB 3.29Å; L222-Y225 WeakPolarHBondContact O-CB 3.49Å; L222-Y225 WeakPolarHBondContact O-CD1 3.38Å; L222-Y225 PolarHBondContact O-N 3.12Å
226N91.2Very high94.9Very high110 Ų11061.4 Ų61.459%0.58830%0.295SS*.THydrogen-bonded Turntrans-88.3-0.9178.1-74.8-26.3000113.7W224W224-N226 PolarHBondContact O-N 2.82Å
227L93.2Very high94.8Very high52 Ų5261.9 Ų61.927%0.27230%0.297SS..  trans-97.7125.4-178.8-58.3-179.2000109.7W224 E232 V233 M236W224-L227 HydrophobicContact CB-CB 4.44Å; W224-L227 HydrophobicContact CB-CD1 4Å; W224-L227 HydrophobicContact CB-CG 4.43Å; W224-L227 PolarHBondContact O-N 2.8Å; L227-E232 HydrophobicContact CD1-CB 4.33Å; L227-V233 HydrophobicContact CB-CG2 3.6Å; L227-M236 HydrophobicContact CD1-CE 3.82Å; L227-M236 HydrophobicContact CD1-SD 4.01Å
228N84Confident94.6Very high141 Ų14167.3 Ų67.375%0.75432%0.323SS*.  trans-105.6-17.8176.5-63.2-33.9000112.3K230N228-K230 PolarHBondContact O-N 3.15Å
229N92.1Very high94.5Very high81 Ų8169.6 Ų69.643%0.43334%0.344SS..  trans-75.7123.2178.8-176.2-65.1000110.4E231 E232 V233N229-E231 VanDerWaalsContact C-N 3.29Å; N229-E231 PolarHBondContact O-N 2.9Å; N229-E231 WeakPolarHBondContact OD1-CA 3.22Å; N229-E231 WeakPolarHBondContact OD1-CB 3.21Å; N229-E231 PolarHBondContact OD1-N 2.97Å; N229-E232 HydrophobicContact CB-CB 4.06Å; N229-E232 HydrophobicContact CB-CG 3.85Å; N229-E232 WeakPolarHBondContact CB-OE2 3.14Å; N229-E232 PolarHBondContact O-N 2.86Å; N229-E232 PolarHBondContact OD1-N 3.35Å; N229-E232 VanDerWaalsContact OD1-N 3.13Å; N229-V233 WeakPolarHBondContact O-CG2 3.42Å; N229-V233 PolarHBondContact O-N 2.83Å
230K92.4Very high94.4Very high97 Ų9769.5 Ų69.542%0.42234%0.344SS..Hα-helixtrans-53.4-44.7180-177.6-176.269.3-170.10112.5F184 I188 H196 N228 G234F184-K230 HydrophobicContact CB-CD 4.14Å; F184-K230 HydrophobicContact CD1-CD 4.18Å; F184-K230 HydrophobicContact CD2-CD 4.12Å; F184-K230 HydrophobicContact CG-CD 3.88Å; I188-K230 HydrophobicContact CD1-CB 3.94Å; I188-K230 HydrophobicContact CD1-CG 4.44Å; I188-K230 HydrophobicContact CG1-CB 4.41Å; I188-K230 HydrophobicContact CG1-CG 4.41Å; H196-K230 PolarHBondContact CE1-O 3.4Å; H196-K230 VanDerWaalsContact CE1-O 3.26Å; H196-K230 PolarHBondContact ND1-O 3.29Å; H196-K230 VanDerWaalsContact ND1-O 3.09Å; N228-K230 PolarHBondContact O-N 3.15Å; K230-G234 PolarHBondContact O-N 3.28Å
231E94.3Very high94.3Very high121 Ų12172 Ų7257%0.56536%0.357SS*.Hα-helixtrans-73.2-37.6-175.4-164.4173.4146.700112.2N229 G234 K235N229-E231 VanDerWaalsContact C-N 3.29Å; N229-E231 PolarHBondContact O-N 2.9Å; N229-E231 WeakPolarHBondContact OD1-CA 3.22Å; N229-E231 WeakPolarHBondContact OD1-CB 3.21Å; N229-E231 PolarHBondContact OD1-N 2.97Å; E231-G234 PolarHBondContact O-N 2.95Å; E231-K235 HydrophobicContact CG-CD 4.43Å; E231-K235 WeakPolarHBondContact O-CB 3.42Å; E231-K235 WeakPolarHBondContact O-CG 3.11Å; E231-K235 PolarHBondContact O-N 2.95Å; E231-K235 VanDerWaalsContact OE1-CE 3.28Å; E231-K235 WeakPolarHBondContact OE1-CE 3.49Å; E231-K235 IonicContact OE1-NZ 3.32Å; E231-K235 PolarHBondContact OE1-NZ 2.73Å
232E96.5Very high94.1Very high102 Ų10268 Ų6848%0.47734%0.344SS..Hα-helixtrans-64-44.7174-65.6-179.916100111.8L227 N229 G234 K235 M236L227-E232 HydrophobicContact CD1-CB 4.33Å; N229-E232 HydrophobicContact CB-CB 4.06Å; N229-E232 HydrophobicContact CB-CG 3.85Å; N229-E232 WeakPolarHBondContact CB-OE2 3.14Å; N229-E232 PolarHBondContact O-N 2.86Å; N229-E232 PolarHBondContact OD1-N 3.35Å; N229-E232 VanDerWaalsContact OD1-N 3.13Å; E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 3.28Å; E232-K235 PolarHBondContact O-N 3.28Å; E232-M236 WeakPolarHBondContact O-CB 3.46Å; E232-M236 PolarHBondContact O-N 3.4Å
233V96.9Very high93.7Very high1 Ų172.1 Ų72.11%0.00637%0.374CS..Hα-helixtrans-61.3-44.2175.2175.10000110.4I188 W224 L227 N229 M236 K237I188-V233 HydrophobicContact CG2-CB 3.91Å; I188-V233 HydrophobicContact CG2-CG1 3.91Å; I188-V233 HydrophobicContact CG2-CG2 3.83Å; W224-V233 HydrophobicContact CB-CG1 4.34Å; W224-V233 HydrophobicContact CB-CG2 4.35Å; W224-V233 HydrophobicContact CG-CG1 3.97Å; L227-V233 HydrophobicContact CB-CG2 3.6Å; N229-V233 WeakPolarHBondContact O-CG2 3.42Å; N229-V233 PolarHBondContact O-N 2.83Å; V233-M236 PolarHBondContact O-N 3.09Å; V233-K237 HydrophobicContact CG1-CD 4.06Å; V233-K237 WeakPolarHBondContact O-CB 3.46Å; V233-K237 WeakPolarHBondContact O-CG 3.42Å; V233-K237 PolarHBondContact O-N 2.96Å
234G96.4Very high93.6Very high3 Ų375.4 Ų75.43%0.03138%0.384CS..Hα-helixtrans-60.2-46.9176.700000112.8H196 K230 E231 E232 K237 M238H196-G234 VanDerWaalsContact CG-CA 3.46Å; H196-G234 WeakPolarHBondContact ND1-CA 3.5Å; K230-G234 PolarHBondContact O-N 3.28Å; E231-G234 PolarHBondContact O-N 2.95Å; E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 3.28Å; G234-K237 PolarHBondContact O-N 3.17Å; G234-M238 WeakPolarHBondContact O-CG 3.35Å; G234-M238 PolarHBondContact O-N 3.37Å
235K96.6Very high93.6Very high121 Ų12175.5 Ų75.553%0.52639%0.385SS..Hα-helixtrans-60.3-48.5176.3-75.6171.2-176.4163.70111.2E231 E232 K237 M238 T239E231-K235 HydrophobicContact CG-CD 4.43Å; E231-K235 WeakPolarHBondContact O-CB 3.42Å; E231-K235 WeakPolarHBondContact O-CG 3.11Å; E231-K235 PolarHBondContact O-N 2.95Å; E231-K235 VanDerWaalsContact OE1-CE 3.28Å; E231-K235 WeakPolarHBondContact OE1-CE 3.49Å; E231-K235 IonicContact OE1-NZ 3.32Å; E231-K235 PolarHBondContact OE1-NZ 2.73Å; E232-K235 PolarHBondContact O-N 3.28Å; K235-K237 VanDerWaalsContact C-N 3.31Å; K235-K237 PolarHBondContact O-N 3.44Å; K235-M238 PolarHBondContact O-N 3.25Å; K235-M238 VanDerWaalsContact O-N 3.11Å; K235-T239 PolarHBondContact O-N 2.88Å; K235-T239 VanDerWaalsContact O-N 3.11Å; K235-T239 PolarHBondContact O-OG1 3.47Å; K235-T239 VanDerWaalsContact O-OG1 3.1Å
236M97.1Very high93.8Very high64 Ų6471.8 Ų71.832%0.31537%0.371SS..Hα-helixtrans-60.1-40.7178.3-176.7174.1-78.600111.9P223 W224 L227 E232 V233 M238 T239 I240P223-M236 HydrophobicContact CB-SD 4.35Å; W224-M236 HydrophobicContact CB-SD 3.69Å; W224-M236 HydrophobicContact CE3-CG 4.25Å; W224-M236 HydrophobicContact CE3-SD 4.28Å; L227-M236 HydrophobicContact CD1-CE 3.82Å; L227-M236 HydrophobicContact CD1-SD 4.01Å; E232-M236 WeakPolarHBondContact O-CB 3.46Å; E232-M236 PolarHBondContact O-N 3.4Å; V233-M236 PolarHBondContact O-N 3.09Å; M236-M238 VanDerWaalsContact C-N 3.26Å; M236-M238 PolarHBondContact O-N 3.39Å; M236-T239 PolarHBondContact O-N 3.09Å; M236-I240 VanDerWaalsContact O-CB 3.22Å; M236-I240 WeakPolarHBondContact O-CB 3.32Å; M236-I240 VanDerWaalsContact O-CG2 3.27Å; M236-I240 WeakPolarHBondContact O-CG2 3.46Å; M236-I240 PolarHBondContact O-N 3.49Å
237K96.2Very high93.9Very high13 Ų1374.1 Ų74.16%0.05738%0.376CS..Hα-helixtrans-62.5-31176.7-78.2174.4173.2-179.30113.5I188 R189 A191 P193 Y212 W224 V233 G234 K235I188-K237 PolarHBondContact O-NZ 3.39Å; R189-K237 PolarHBondContact O-NZ 3.05Å; A191-K237 PolarHBondContact O-NZ 3.29Å; P193-K237 HydrophobicContact CG-CB 4.44Å; Y212-K237 HydrophobicContact CE2-CD 4.29Å; W224-K237 HydrophobicContact CD2-CG 4.14Å; W224-K237 HydrophobicContact CE3-CG 3.9Å; W224-K237 HydrophobicContact CH2-CD 4.45Å; W224-K237 HydrophobicContact CH2-CG 3.77Å; W224-K237 HydrophobicContact CZ2-CD 4.25Å; W224-K237 HydrophobicContact CZ2-CG 4.01Å; W224-K237 HydrophobicContact CZ3-CG 3.71Å; V233-K237 HydrophobicContact CG1-CD 4.06Å; V233-K237 WeakPolarHBondContact O-CB 3.46Å; V233-K237 WeakPolarHBondContact O-CG 3.42Å; V233-K237 PolarHBondContact O-N 2.96Å; G234-K237 PolarHBondContact O-N 3.17Å; K235-K237 VanDerWaalsContact C-N 3.31Å; K235-K237 PolarHBondContact O-N 3.44Å
238M93.3Very high94Very high115 Ų11576.8 Ų76.857%0.56739%0.391SS*.Hα-helixtrans-81.6-27.3177.8-65.5-174.6-151.600113.1P193 A197 G234 K235 M236P193-M238 HydrophobicContact CB-CG 4.36Å; A197-M238 HydrophobicContact CB-CE 4.22Å; G234-M238 WeakPolarHBondContact O-CG 3.35Å; G234-M238 PolarHBondContact O-N 3.37Å; K235-M238 PolarHBondContact O-N 3.25Å; K235-M238 VanDerWaalsContact O-N 3.11Å; M236-M238 VanDerWaalsContact C-N 3.26Å; M236-M238 PolarHBondContact O-N 3.39Å
239T94.7Very high94.7Very high110 Ų11070.9 Ų70.968%0.67536%0.359SS*.Hα-helixtrans-106.4-19.1-172.359.90000114.5K235 M236 P241K235-T239 PolarHBondContact O-N 2.88Å; K235-T239 VanDerWaalsContact O-N 3.11Å; K235-T239 PolarHBondContact O-OG1 3.47Å; K235-T239 VanDerWaalsContact O-OG1 3.1Å; M236-T239 PolarHBondContact O-N 3.09Å; T239-P241 WeakPolarHBondContact O-CD 3.48Å
240I95.2Very high94.9Very high24 Ų2468.2 Ų68.212%0.12335%0.346CS..SBendtrans-61.4128.2-176.8-170.4167.6000111.1P223 W224 M236 Q242 Q244 L245P223-I240 HydrophobicContact CB-CD1 3.44Å; P223-I240 VanDerWaalsContact CB-CD1 3.44Å; P223-I240 HydrophobicContact CG-CD1 3.46Å; P223-I240 VanDerWaalsContact CG-CD1 3.46Å; W224-I240 HydrophobicContact CZ3-CG2 4.36Å; M236-I240 VanDerWaalsContact O-CB 3.22Å; M236-I240 WeakPolarHBondContact O-CB 3.32Å; M236-I240 VanDerWaalsContact O-CG2 3.27Å; M236-I240 WeakPolarHBondContact O-CG2 3.46Å; M236-I240 PolarHBondContact O-N 3.49Å; I240-Q242 PolarHBondContact O-N 3.47Å; I240-Q244 HydrophobicContact CD1-CG 4.47Å; I240-Q244 HydrophobicContact CG1-CB 4.31Å; I240-L245 HydrophobicContact CD1-CB 4.22Å
241P93.8Very high95.1Very high69 Ų6967.4 Ų67.445%0.44835%0.353SS..  trans-59.7132.8171.6-24.234.5000110.6T239 S243 Q244 L245T239-P241 WeakPolarHBondContact O-CD 3.48Å; P241-S243 PolarHBondContact O-N 3.47Å; P241-Q244 HydrophobicContact CB-CB 4.33Å; P241-Q244 WeakPolarHBondContact O-CA 3.38Å; P241-Q244 WeakPolarHBondContact O-CB 3.3Å; P241-Q244 PolarHBondContact O-N 3.38Å; P241-L245 PolarHBondContact O-N 3Å; P241-L245 VanDerWaalsContact O-N 3.1Å
242Q91Very high95.3Very high59 Ų5963.3 Ų63.328%0.27633%0.333SS..Hα-helixtrans-61.6-32.9-179.5-55.3178.320.400111.6I240 Q244 L245 L246 L254 H257 N258I240-Q242 PolarHBondContact O-N 3.47Å; Q242-Q244 PolarHBondContact O-N 3.42Å; Q242-L245 PolarHBondContact O-N 2.7Å; Q242-L246 WeakPolarHBondContact O-CB 3.2Å; Q242-L246 PolarHBondContact O-N 2.98Å; Q242-L254 HydrophobicContact CB-CD1 3.77Å; Q242-H257 VanDerWaalsContact CG-CE1 3.46Å; Q242-H257 WeakPolarHBondContact CG-CE1 3.38Å; Q242-H257 PolarHBondContact NE2-CE1 3.2Å; Q242-H257 VanDerWaalsContact NE2-CE1 3.27Å; Q242-H257 PolarHBondContact NE2-ND1 3.09Å; Q242-H257 PolarHBondContact OE1-ND1 2.93Å; Q242-N258 PolarHBondContact OE1-OD1 2.56Å
243S88Confident95.3Very high89 Ų8958.5 Ų58.562%0.62231%0.311SS*.Hα-helixtrans-61.5-24172.656.10000113.4P241 K247P241-S243 PolarHBondContact O-N 3.47Å; S243-K247 WeakPolarHBondContact O-CA 3.4Å; S243-K247 VanDerWaalsContact O-CB 3.24Å; S243-K247 WeakPolarHBondContact O-CB 3.44Å; S243-K247 PolarHBondContact O-N 2.93Å
244Q93.9Very high95.3Very high118 Ų11861.6 Ų61.655%0.55133%0.327SS*.Hα-helixtrans-87.2-43.7174.1-175-179.5-1.900111.4I240 P241 Q242 L246I240-Q244 HydrophobicContact CD1-CG 4.47Å; I240-Q244 HydrophobicContact CG1-CB 4.31Å; P241-Q244 HydrophobicContact CB-CB 4.33Å; P241-Q244 WeakPolarHBondContact O-CA 3.38Å; P241-Q244 WeakPolarHBondContact O-CB 3.3Å; P241-Q244 PolarHBondContact O-N 3.38Å; Q242-Q244 PolarHBondContact O-N 3.42Å; Q244-L246 VanDerWaalsContact C-N 3.31Å; Q244-L246 PolarHBondContact O-N 3.22Å
245L95.9Very high95.4Very high6 Ų665 Ų653%0.03134%0.342CS..Hα-helixtrans-61.6-40.4178.5175.462.8000111.9Y212 V215 L222 P223 W224 I240 P241 Q242Y212-L245 HydrophobicContact CD1-CD2 4.32Å; Y212-L245 HydrophobicContact CE1-CD2 3.84Å; V215-L245 HydrophobicContact CG1-CD1 4.36Å; L222-L245 HydrophobicContact CD2-CD1 4.26Å; P223-L245 HydrophobicContact CG-CD1 3.88Å; W224-L245 HydrophobicContact CH2-CD1 3.87Å; W224-L245 HydrophobicContact CZ3-CD1 4.04Å; I240-L245 HydrophobicContact CD1-CB 4.22Å; P241-L245 PolarHBondContact O-N 3Å; P241-L245 VanDerWaalsContact O-N 3.1Å; Q242-L245 PolarHBondContact O-N 2.7Å
246L97Very high95.4Very high11 Ų1159.3 Ų59.36%0.05832%0.318CS..THydrogen-bonded Turntrans-109.913.9-171.5-58.6174.9000113.1L211 V215 Q242 Q244 D248 M249 F253 L254 H257L211-L246 HydrophobicContact CD1-CD2 4.31Å; V215-L246 HydrophobicContact CG2-CD2 3.62Å; Q242-L246 WeakPolarHBondContact O-CB 3.2Å; Q242-L246 PolarHBondContact O-N 2.98Å; Q244-L246 VanDerWaalsContact C-N 3.31Å; Q244-L246 PolarHBondContact O-N 3.22Å; L246-D248 VanDerWaalsContact C-N 3.27Å; L246-D248 PolarHBondContact O-N 3.43Å; L246-M249 HydrophobicContact CB-CB 4.37Å; L246-M249 HydrophobicContact CD2-CB 4.44Å; L246-M249 HydrophobicContact CD2-CG 4.05Å; L246-M249 WeakPolarHBondContact O-CB 3.48Å; L246-M249 PolarHBondContact O-N 3.07Å; L246-F253 HydrophobicContact CD2-CB 4.32Å; L246-L254 HydrophobicContact CD1-CB 4.08Å; L246-L254 HydrophobicContact CD1-CD1 3.97Å; L246-H257 HydrophobicContact CD1-CB 3.75Å
247K94Very high95.4Very high159 Ų15957 Ų5769%0.69131%0.306SS*.THydrogen-bonded Turntrans-50.8-45.1-175.3-171.5-176.5171.5-175.50113.6S243S243-K247 WeakPolarHBondContact O-CA 3.4Å; S243-K247 VanDerWaalsContact O-CB 3.24Å; S243-K247 WeakPolarHBondContact O-CB 3.44Å; S243-K247 PolarHBondContact O-N 2.93Å
248D94.8Very high95.4Very high109 Ų10959.5 Ų59.558%0.58332%0.32SS*.THydrogen-bonded Turntrans-98.410.2-174.9-56.1-40.4000112.4L246L246-D248 VanDerWaalsContact C-N 3.27Å; L246-D248 PolarHBondContact O-N 3.43Å
249M97.8Very high95.6Very high17 Ų1756.3 Ų56.38%0.08431%0.307CS..SBendtrans-97.9151.6176.8-60.7-61.9-71.900110.7A214 V215 R218 L246 F253A214-M249 HydrophobicContact CB-CE 4.32Å; V215-M249 HydrophobicContact CG2-CE 4.32Å; V215-M249 HydrophobicContact CG2-CG 4.07Å; V215-M249 HydrophobicContact CG2-SD 4.28Å; R218-M249 HydrophobicContact CB-CE 4.24Å; R218-M249 HydrophobicContact CB-SD 3.75Å; R218-M249 HydrophobicContact CG-SD 3.87Å; L246-M249 HydrophobicContact CB-CB 4.37Å; L246-M249 HydrophobicContact CD2-CB 4.44Å; L246-M249 HydrophobicContact CD2-CG 4.05Å; L246-M249 WeakPolarHBondContact O-CB 3.48Å; L246-M249 PolarHBondContact O-N 3.07Å; M249-F253 HydrophobicContact CB-CB 4.01Å; M249-F253 HydrophobicContact CB-CD2 4.33Å; M249-F253 HydrophobicContact CB-CG 4.21Å; M249-F253 HydrophobicContact CE-CD1 3.62Å; M249-F253 HydrophobicContact CE-CD2 3.98Å; M249-F253 HydrophobicContact CE-CE1 3.61Å; M249-F253 HydrophobicContact CE-CE2 3.97Å; M249-F253 HydrophobicContact CE-CG 3.81Å; M249-F253 HydrophobicContact CE-CZ 3.78Å
250P97.3Very high95.7Very high24 Ų2451.2 Ų51.216%0.15628%0.275CS..  trans-53.2146.1166.9-24.334.3000111.9T113 E252 F253 L281T113-P250 HydrophobicContact CG2-CG 3.89Å; P250-E252 VanDerWaalsContact CB-OE2 3.28Å; P250-E252 WeakPolarHBondContact CB-OE2 3.31Å; P250-E252 PolarHBondContact O-N 3.26Å; P250-E252 VanDerWaalsContact O-N 3.09Å; P250-F253 HydrophobicContact CB-CD2 4.04Å; P250-F253 HydrophobicContact CB-CE2 4.36Å; P250-F253 HydrophobicContact CG-CD2 4.15Å; P250-F253 HydrophobicContact CG-CE2 4.11Å; P250-F253 WeakPolarHBondContact O-CB 3.34Å; P250-F253 PolarHBondContact O-N 2.75Å; P250-L281 HydrophobicContact CB-CD1 4.09Å; P250-L281 HydrophobicContact CB-CD2 3.46Å; P250-L281 VanDerWaalsContact CB-CD2 3.46Å; P250-L281 HydrophobicContact CB-CG 4.43Å; P250-L281 HydrophobicContact CG-CD2 3.76Å
251S96.5Very high95.7Very high81 Ų8153.1 Ų53.157%0.56629%0.29SS*.Hα-helixtrans-58.1-27.3-173.940.10000113.8F253 L254 E255S251-F253 PolarHBondContact O-N 2.72Å; S251-L254 WeakPolarHBondContact O-CB 3.28Å; S251-L254 PolarHBondContact O-N 3.43Å; S251-E255 PolarHBondContact O-N 2.85Å; S251-E255 VanDerWaalsContact O-N 3.17Å
252E97.4Very high95.9Very high34 Ų3457.7 Ų57.716%0.15930%0.303CS..Hα-helixtrans-60.2-28.8177-6478.8-178.900111.9P250 L254 E255 W256 M278 L281P250-E252 VanDerWaalsContact CB-OE2 3.28Å; P250-E252 WeakPolarHBondContact CB-OE2 3.31Å; P250-E252 PolarHBondContact O-N 3.26Å; P250-E252 VanDerWaalsContact O-N 3.09Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-E255 PolarHBondContact O-N 3.43Å; E252-W256 WeakPolarHBondContact O-CB 3.11Å; E252-W256 PolarHBondContact O-N 2.89Å; E252-M278 HydrophobicContact CB-CE 4.32Å; E252-L281 HydrophobicContact CG-CB 4.32Å; E252-L281 HydrophobicContact CG-CD2 4.49Å
253F98Very high96.2Very high1 Ų156.4 Ų56.40%0.00430%0.298CS..Hα-helixtrans-70-31174.7-74.4-95.9000112.2I117 V120 L211 A214 L246 M249 P250 S251 W256 H257 M278 L281I117-F253 HydrophobicContact CG1-CE2 4.47Å; V120-F253 HydrophobicContact CG2-CE1 4.3Å; V120-F253 HydrophobicContact CG2-CZ 4.41Å; L211-F253 HydrophobicContact CD1-CB 4.36Å; L211-F253 HydrophobicContact CD1-CD1 3.69Å; A214-F253 HydrophobicContact CB-CD1 4.39Å; A214-F253 HydrophobicContact CB-CE1 3.61Å; A214-F253 HydrophobicContact CB-CZ 4.4Å; L246-F253 HydrophobicContact CD2-CB 4.32Å; M249-F253 HydrophobicContact CB-CB 4.01Å; M249-F253 HydrophobicContact CB-CD2 4.33Å; M249-F253 HydrophobicContact CB-CG 4.21Å; M249-F253 HydrophobicContact CE-CD1 3.62Å; M249-F253 HydrophobicContact CE-CD2 3.98Å; M249-F253 HydrophobicContact CE-CE1 3.61Å; M249-F253 HydrophobicContact CE-CE2 3.97Å; M249-F253 HydrophobicContact CE-CG 3.81Å; M249-F253 HydrophobicContact CE-CZ 3.78Å; P250-F253 HydrophobicContact CB-CD2 4.04Å; P250-F253 HydrophobicContact CB-CE2 4.36Å; P250-F253 HydrophobicContact CG-CD2 4.15Å; P250-F253 HydrophobicContact CG-CE2 4.11Å; P250-F253 WeakPolarHBondContact O-CB 3.34Å; P250-F253 PolarHBondContact O-N 2.75Å; S251-F253 PolarHBondContact O-N 2.72Å; F253-W256 AromaticContact CD1-CE3 3.96Å; F253-W256 HydrophobicContact CD1-CE3 3.96Å; F253-W256 HydrophobicContact CD1-CZ3 4.16Å; F253-W256 HydrophobicContact CE1-CE3 4.21Å; F253-W256 HydrophobicContact CE1-CZ3 4.04Å; F253-H257 WeakPolarHBondContact O-CB 3.37Å; F253-H257 PolarHBondContact O-N 3.38Å; F253-M278 HydrophobicContact CE1-SD 4.45Å; F253-M278 HydrophobicContact CE2-CE 4.31Å; F253-M278 HydrophobicContact CE2-SD 3.96Å; F253-M278 HydrophobicContact CZ-CE 4.35Å; F253-M278 HydrophobicContact CZ-SD 3.79Å; F253-L281 HydrophobicContact CE2-CD2 4.36Å
254L97Very high96.6Very high66 Ų6660.4 Ų60.435%0.34630%0.299SS..Hα-helixtrans-71.6-41.4173179.863.4000110.9Q242 L246 S251 E252 W256 H257 N258Q242-L254 HydrophobicContact CB-CD1 3.77Å; L246-L254 HydrophobicContact CD1-CB 4.08Å; L246-L254 HydrophobicContact CD1-CD1 3.97Å; S251-L254 WeakPolarHBondContact O-CB 3.28Å; S251-L254 PolarHBondContact O-N 3.43Å; E252-L254 VanDerWaalsContact C-N 3.33Å; L254-W256 VanDerWaalsContact C-N 3.32Å; L254-W256 PolarHBondContact O-N 2.79Å; L254-H257 PolarHBondContact O-N 2.95Å; L254-N258 VanDerWaalsContact O-CG 3.31Å; L254-N258 PolarHBondContact O-N 3.31Å; L254-N258 PolarHBondContact O-ND2 2.86Å
255E96.8Very high96.8Very high75 Ų7556 Ų5635%0.3528%0.278SS..Hα-helixtrans-57.7-46.7171.3-66-175.8-102.800111.1S251 E252 N258 V259 W273 K277S251-E255 PolarHBondContact O-N 2.85Å; S251-E255 VanDerWaalsContact O-N 3.17Å; E252-E255 PolarHBondContact O-N 3.43Å; E255-N258 WeakPolarHBondContact O-CB 3.19Å; E255-N258 PolarHBondContact O-N 3.43Å; E255-V259 PolarHBondContact O-N 3.35Å; E255-V259 VanDerWaalsContact O-N 3.12Å; E255-W273 HydrophobicContact CB-CH2 4.14Å; E255-W273 HydrophobicContact CB-CZ2 4.47Å; E255-K277 VanDerWaalsContact CD-NZ 3.26Å; E255-K277 IonicContact OE1-NZ 2.68Å; E255-K277 PolarHBondContact OE1-NZ 2.86Å; E255-K277 VanDerWaalsContact OE1-NZ 3.13Å; E255-K277 WeakPolarHBondContact OE2-CE 3.48Å; E255-K277 IonicContact OE2-NZ 3.2Å; E255-K277 PolarHBondContact OE2-NZ 3.09Å
256W97.9Very high96.9Very high2 Ų260.5 Ų60.51%0.00830%0.297CS..Hα-helixtrans-60.3-46.9177178.421.3000112V120 V124 L207 T210 L211 E252 F253 L254 N258 V259 L260 W273 I274 M278V120-W256 HydrophobicContact CG1-CH2 4.16Å; V120-W256 HydrophobicContact CG1-CZ3 3.88Å; V124-W256 HydrophobicContact CG2-CH2 4.41Å; V124-W256 HydrophobicContact CG2-CZ2 4.46Å; L207-W256 HydrophobicContact CB-CZ2 4.38Å; T210-W256 HydrophobicContact CG2-CH2 3.91Å; L211-W256 HydrophobicContact CB-CE3 4.43Å; L211-W256 HydrophobicContact CB-CH2 4.01Å; L211-W256 HydrophobicContact CB-CZ2 4.25Å; L211-W256 HydrophobicContact CB-CZ3 4.11Å; L211-W256 HydrophobicContact CD1-CD2 4.25Å; L211-W256 HydrophobicContact CD1-CE3 3.67Å; L211-W256 HydrophobicContact CD1-CZ3 3.88Å; E252-W256 WeakPolarHBondContact O-CB 3.11Å; E252-W256 PolarHBondContact O-N 2.89Å; F253-W256 AromaticContact CD1-CE3 3.96Å; F253-W256 HydrophobicContact CD1-CE3 3.96Å; F253-W256 HydrophobicContact CD1-CZ3 4.16Å; F253-W256 HydrophobicContact CE1-CE3 4.21Å; F253-W256 HydrophobicContact CE1-CZ3 4.04Å; L254-W256 VanDerWaalsContact C-N 3.32Å; L254-W256 PolarHBondContact O-N 2.79Å; W256-N258 VanDerWaalsContact C-N 3.3Å; W256-N258 PolarHBondContact O-N 2.9Å; W256-V259 WeakPolarHBondContact O-CB 3.29Å; W256-V259 PolarHBondContact O-N 3.01Å; W256-V259 VanDerWaalsContact O-N 3.11Å; W256-L260 PolarHBondContact O-N 3.4Å; W256-W273 HydrophobicContact CB-CZ3 4.26Å; W256-I274 HydrophobicContact CD2-CG2 3.98Å; W256-I274 HydrophobicContact CE3-CG2 4.36Å; W256-I274 HydrophobicContact CG-CG1 4.47Å; W256-I274 HydrophobicContact CG-CG2 4.37Å; W256-I274 HydrophobicContact CZ2-CD1 4.46Å; W256-I274 HydrophobicContact CZ2-CG2 4.16Å; W256-I274 VanDerWaalsContact NE1-CD1 3.33Å; W256-M278 HydrophobicContact CE3-CE 4.4Å
257H97Very high96.9Very high15 Ų1562.1 Ų62.17%0.06931%0.306CS..Hα-helixtrans-56.9-43.5175.8-179.5-85.3000112.3Y208 L211 Q242 L246 F253 L254 V259 L260 C261Y208-H257 AromaticContact CE1-NE2 3.93Å; L211-H257 HydrophobicContact CD2-CB 3.81Å; Q242-H257 VanDerWaalsContact CG-CE1 3.46Å; Q242-H257 WeakPolarHBondContact CG-CE1 3.38Å; Q242-H257 PolarHBondContact NE2-CE1 3.2Å; Q242-H257 VanDerWaalsContact NE2-CE1 3.27Å; Q242-H257 PolarHBondContact NE2-ND1 3.09Å; Q242-H257 PolarHBondContact OE1-ND1 2.93Å; L246-H257 HydrophobicContact CD1-CB 3.75Å; F253-H257 WeakPolarHBondContact O-CB 3.37Å; F253-H257 PolarHBondContact O-N 3.38Å; L254-H257 PolarHBondContact O-N 2.95Å; H257-V259 VanDerWaalsContact C-N 3.27Å; H257-V259 PolarHBondContact O-N 3.39Å; H257-L260 PolarHBondContact O-N 3.24Å; H257-L260 VanDerWaalsContact O-N 3.12Å; H257-C261 PolarHBondContact CE1-SG 3.01Å; H257-C261 PolarHBondContact O-N 3.44Å; H257-C261 PolarHBondContact O-SG 2.77Å
258N96.2Very high97.1Very high66 Ų6659 Ų5935%0.35330%0.3SS..Hα-helixtrans-62.6-33.2178.1-75.6-34.5000113.1Q242 L254 E255 W256Q242-N258 PolarHBondContact OE1-OD1 2.56Å; L254-N258 VanDerWaalsContact O-CG 3.31Å; L254-N258 PolarHBondContact O-N 3.31Å; L254-N258 PolarHBondContact O-ND2 2.86Å; E255-N258 WeakPolarHBondContact O-CB 3.19Å; E255-N258 PolarHBondContact O-N 3.43Å; W256-N258 VanDerWaalsContact C-N 3.3Å; W256-N258 PolarHBondContact O-N 2.9Å
259V96.9Very high97.3Very high48 Ų4854 Ų5429%0.29127%0.274SS..Hα-helixtrans-66.7-48.2171.6173.30000110.2E255 W256 H257 C261 K262 L263 W273E255-V259 PolarHBondContact O-N 3.35Å; E255-V259 VanDerWaalsContact O-N 3.12Å; W256-V259 WeakPolarHBondContact O-CB 3.29Å; W256-V259 PolarHBondContact O-N 3.01Å; W256-V259 VanDerWaalsContact O-N 3.11Å; H257-V259 VanDerWaalsContact C-N 3.27Å; H257-V259 PolarHBondContact O-N 3.39Å; V259-C261 VanDerWaalsContact C-N 3.26Å; V259-C261 PolarHBondContact O-N 3.35Å; V259-K262 PolarHBondContact O-N 3.27Å; V259-L263 PolarHBondContact O-N 2.91Å; V259-W273 HydrophobicContact CB-CZ3 4.31Å; V259-W273 HydrophobicContact CG2-CE3 4.48Å; V259-W273 HydrophobicContact CG2-CH2 3.64Å; V259-W273 HydrophobicContact CG2-CZ2 4.18Å; V259-W273 HydrophobicContact CG2-CZ3 3.82Å
260L97Very high97.3Very high2 Ų257.7 Ų57.71%0.0129%0.294CS..Hα-helixtrans-57.7-37.6179.8-66.2-177.8000112.8L207 Y208 L211 W256 H257 K262 L263L207-L260 HydrophobicContact CB-CD1 4.48Å; L207-L260 HydrophobicContact CB-CD2 3.71Å; L207-L260 HydrophobicContact CD1-CD2 4.25Å; Y208-L260 HydrophobicContact CD1-CD1 4.06Å; Y208-L260 HydrophobicContact CD2-CB 4.23Å; Y208-L260 HydrophobicContact CD2-CD1 4.31Å; Y208-L260 HydrophobicContact CE1-CB 4.17Å; Y208-L260 HydrophobicContact CE1-CD1 4.29Å; Y208-L260 HydrophobicContact CE2-CB 3.73Å; Y208-L260 HydrophobicContact CG-CD1 4.05Å; L211-L260 HydrophobicContact CB-CD1 4.37Å; L211-L260 HydrophobicContact CD2-CD1 4.07Å; W256-L260 PolarHBondContact O-N 3.4Å; H257-L260 PolarHBondContact O-N 3.24Å; H257-L260 VanDerWaalsContact O-N 3.12Å; L260-K262 PolarHBondContact O-N 2.59Å; L260-L263 HydrophobicContact CD2-CD1 4.06Å; L260-L263 PolarHBondContact O-N 3Å
261C95.4Very high97.4Very high64 Ų6457.6 Ų57.643%0.43229%0.29SS..THydrogen-bonded Turntrans-61.8-23.1177-74.70000114.3Y208 H257 V259Y208-C261 WeakPolarHBondContact OH-CA 3.3Å; Y208-C261 PolarHBondContact OH-N 3.15Å; Y208-C261 PolarHBondContact OH-SG 3.13Å; H257-C261 PolarHBondContact CE1-SG 3.01Å; H257-C261 PolarHBondContact O-N 3.44Å; H257-C261 PolarHBondContact O-SG 2.77Å; V259-C261 VanDerWaalsContact C-N 3.26Å; V259-C261 PolarHBondContact O-N 3.35Å
262K97.1Very high97.5Very high165 Ų16558.1 Ų58.172%0.71729%0.287SS*.THydrogen-bonded Turntrans-91.5-17.6-179-63.4174.4-174.1178.60112.6V259 L260V259-K262 PolarHBondContact O-N 3.27Å; L260-K262 PolarHBondContact O-N 2.59Å
263L98.1Very high97.5Very high32 Ų3260 Ų6017%0.16829%0.293CS..  trans-77.1138.4-177.4-63.7176.1000111.2H204 V259 L260 D267 P269H204-L263 HydrophobicContact CB-CB 3.67Å; H204-L263 HydrophobicContact CB-CD1 3.72Å; H204-L263 HydrophobicContact CB-CG 4.36Å; V259-L263 PolarHBondContact O-N 2.91Å; L260-L263 HydrophobicContact CD2-CD1 4.06Å; L260-L263 PolarHBondContact O-N 3Å; L263-D267 HydrophobicContact CD2-CB 3.85Å; L263-P269 HydrophobicContact CD1-CB 4.01Å; L263-P269 HydrophobicContact CD1-CG 4.12Å
264R97.2Very high97.6Very high173 Ų17360.2 Ų60.265%0.65329%0.294SS*.  trans-113.5171.1173.8-56.6169-67.9-175.31.1109.4F266 D267R264-F266 PolarHBondContact O-N 2.87Å; R264-F266 VanDerWaalsContact O-N 3.09Å; R264-D267 WeakPolarHBondContact CA-OD2 3.2Å; R264-D267 VanDerWaalsContact CB-OD2 3.24Å; R264-D267 WeakPolarHBondContact CB-OD2 3.47Å; R264-D267 PolarHBondContact N-OD2 3.15Å; R264-D267 IonicContact NE-OD2 3.65Å; R264-D267 PolarHBondContact NE-OD2 3.2Å; R264-D267 IonicContact NH2-OD1 3.53Å; R264-D267 IonicContact NH2-OD2 3.93Å; R264-D267 PolarHBondContact O-N 3.1Å
265Y97.4Very high97.6Very high27 Ų2757.3 Ų57.311%0.10628%0.279CS..THydrogen-bonded Turntrans-47.9-41.7180175.7-99.3000114.1R176 P178 E200 L201R176-Y265 VanDerWaalsContact O-CE1 3.23Å; R176-Y265 WeakPolarHBondContact O-CE1 3.49Å; R176-Y265 PolarHBondContact O-OH 2.87Å; R176-Y265 VanDerWaalsContact O-OH 3.05Å; P178-Y265 HydrophobicContact CB-CD1 4.04Å; P178-Y265 HydrophobicContact CB-CE1 4.07Å; P178-Y265 HydrophobicContact CB-CG 4.28Å; P178-Y265 HydrophobicContact CG-CD1 4.11Å; P178-Y265 HydrophobicContact CG-CE1 4.29Å; E200-Y265 HydrophobicContact CB-CD2 4.47Å; E200-Y265 HydrophobicContact CB-CE2 4.36Å; E200-Y265 HydrophobicContact CG-CD2 4.17Å; E200-Y265 HydrophobicContact CG-CE2 3.59Å; L201-Y265 VanDerWaalsContact O-CE2 3.27Å; L201-Y265 WeakPolarHBondContact O-CE2 3.33Å
266F97.5Very high97.7Very high100 Ų10056.9 Ų56.944%0.43928%0.276SS..THydrogen-bonded Turntrans-81.7-16-176.9-60.3-73.4000114.1L175 P178 R203 R264L175-F266 HydrophobicContact CB-CD1 4.44Å; L175-F266 HydrophobicContact CD1-CB 4.16Å; L175-F266 HydrophobicContact CD1-CD1 3.88Å; L175-F266 WeakPolarHBondContact CD1-O 3.34Å; P178-F266 HydrophobicContact CG-CE2 4.42Å; P178-F266 HydrophobicContact CG-CZ 3.96Å; R203-F266 PolarHBondContact NH2-O 2.88Å; R264-F266 PolarHBondContact O-N 2.87Å; R264-F266 VanDerWaalsContact O-N 3.09Å
267D97.7Very high97.7Very high44 Ų4458.4 Ų58.424%0.23528%0.283CS..PPolyproline II helixtrans-75.9145.1-174.4-59.3-42.5000110.4R203 L263 R264R203-D267 PolarHBondContact NE-O 3.31Å; R203-D267 PolarHBondContact NH2-O 2.85Å; L263-D267 HydrophobicContact CD2-CB 3.85Å; R264-D267 WeakPolarHBondContact CA-OD2 3.2Å; R264-D267 VanDerWaalsContact CB-OD2 3.24Å; R264-D267 WeakPolarHBondContact CB-OD2 3.47Å; R264-D267 PolarHBondContact N-OD2 3.15Å; R264-D267 IonicContact NE-OD2 3.65Å; R264-D267 PolarHBondContact NE-OD2 3.2Å; R264-D267 IonicContact NH2-OD1 3.53Å; R264-D267 IonicContact NH2-OD2 3.93Å; R264-D267 PolarHBondContact O-N 3.1Å
268T97.9Very high97.8Very high94 Ų9457.7 Ų57.758%0.57728%0.28SS*.PPolyproline II helixtrans-93.2118.9172.4-58.60000108.1R203 Y271R203-T268 VanDerWaalsContact CZ-OG1 3.28Å; R203-T268 PolarHBondContact NH1-OG1 3.34Å; R203-T268 PolarHBondContact NH2-OG1 2.72Å; R203-T268 VanDerWaalsContact NH2-OG1 3.09Å; T268-Y271 HydrophobicContact CG2-CE2 4.42Å
269P98.4Very high97.9Very high4 Ų459 Ų593%0.02628%0.28CS..PPolyproline II helixtrans-61.8143.5174-19.530.2000111.7R203 L207 L263 Y271R203-P269 HydrophobicContact CB-CG 3.7Å; L207-P269 HydrophobicContact CD1-CB 3.38Å; L207-P269 HydrophobicContact CD1-CG 3.72Å; L263-P269 HydrophobicContact CD1-CB 4.01Å; L263-P269 HydrophobicContact CD1-CG 4.12Å; P269-Y271 HydrophobicContact CB-CE1 4.13Å; P269-Y271 HydrophobicContact CB-CE2 4.39Å; P269-Y271 HydrophobicContact CG-CE1 4.31Å; P269-Y271 WeakPolarHBondContact O-CD2 3.35Å; P269-Y271 WeakPolarHBondContact O-CE2 3.29Å; P269-Y271 PolarHBondContact O-N 3.38Å
270D98.4Very high98Very high95 Ų9560.8 Ų60.851%0.50829%0.285SS..  trans-83.386.6170.2-169.1-20.2000109.5D272 W273 I274D270-D272 VanDerWaalsContact C-N 3.3Å; D270-D272 PolarHBondContact O-N 2.65Å; D270-D272 PolarHBondContact OD1-N 2.97Å; D270-W273 HydrophobicContact CB-CB 3.96Å; D270-W273 WeakPolarHBondContact OD1-CB 3.44Å; D270-W273 PolarHBondContact OD1-N 3.35Å; D270-I274 WeakPolarHBondContact O-CG1 3.5Å; D270-I274 PolarHBondContact O-N 2.85Å
271Y98.8Very high98Very high21 Ų2160.9 Ų60.98%0.08229%0.285CS..Hα-helixtrans-63.5-38.7-179.2-52.5-85.7000111.9V124 R128 H131 R203 L207 T268 P269 W273 I274 I275V124-Y271 HydrophobicContact CG1-CD1 4.39Å; R128-Y271 HydrophobicContact CB-CD1 3.74Å; R128-Y271 HydrophobicContact CB-CD2 4.17Å; R128-Y271 HydrophobicContact CB-CE1 4.25Å; R128-Y271 HydrophobicContact CB-CG 3.71Å; R128-Y271 HydrophobicContact CG-CD1 4.23Å; R128-Y271 HydrophobicContact CG-CD2 3.71Å; R128-Y271 HydrophobicContact CG-CE2 4.24Å; R128-Y271 HydrophobicContact CG-CG 3.71Å; H131-Y271 AromaticContact ND1-CE1 3.55Å; H131-Y271 AromaticContact ND1-CZ 3.51Å; H131-Y271 PolarHBondContact ND1-OH 3.31Å; R203-Y271 WeakPolarHBondContact CD-OH 3.37Å; L207-Y271 HydrophobicContact CD1-CD1 4.32Å; L207-Y271 HydrophobicContact CD1-CE1 4.1Å; L207-Y271 HydrophobicContact CD2-CD1 4.4Å; L207-Y271 HydrophobicContact CD2-CE1 4.43Å; T268-Y271 HydrophobicContact CG2-CE2 4.42Å; P269-Y271 HydrophobicContact CB-CE1 4.13Å; P269-Y271 HydrophobicContact CB-CE2 4.39Å; P269-Y271 HydrophobicContact CG-CE1 4.31Å; P269-Y271 WeakPolarHBondContact O-CD2 3.35Å; P269-Y271 WeakPolarHBondContact O-CE2 3.29Å; P269-Y271 PolarHBondContact O-N 3.38Å; Y271-W273 VanDerWaalsContact C-N 3.34Å; Y271-I274 PolarHBondContact O-N 3.38Å; Y271-I275 WeakPolarHBondContact O-CG1 2.91Å; Y271-I275 PolarHBondContact O-N 2.83Å
272D98.7Very high98.1Very high92 Ų9258.1 Ų58.149%0.49227%0.266SS..Hα-helixtrans-70.6-34.8-175.2-62.7-31.6000110.6R128 D270 I274 I275 E276R128-D272 IonicContact CZ-OD1 2.8Å; R128-D272 IonicContact NH1-OD1 3.12Å; R128-D272 PolarHBondContact NH1-OD1 3Å; D270-D272 VanDerWaalsContact C-N 3.3Å; D270-D272 PolarHBondContact O-N 2.65Å; D270-D272 PolarHBondContact OD1-N 2.97Å; D272-I274 PolarHBondContact O-N 3.29Å; D272-I275 PolarHBondContact O-N 2.54Å; D272-E276 VanDerWaalsContact O-CB 3.25Å; D272-E276 WeakPolarHBondContact O-CB 3.45Å; D272-E276 PolarHBondContact O-N 3.46Å
273W98.6Very high98.1Very high75 Ų7557.3 Ų57.328%0.28426%0.259SS..Hα-helixtrans-60.2-43.2169.5178.190.1000112.5E255 W256 V259 D270 Y271 E276 K277E255-W273 HydrophobicContact CB-CH2 4.14Å; E255-W273 HydrophobicContact CB-CZ2 4.47Å; W256-W273 HydrophobicContact CB-CZ3 4.26Å; V259-W273 HydrophobicContact CB-CZ3 4.31Å; V259-W273 HydrophobicContact CG2-CE3 4.48Å; V259-W273 HydrophobicContact CG2-CH2 3.64Å; V259-W273 HydrophobicContact CG2-CZ2 4.18Å; V259-W273 HydrophobicContact CG2-CZ3 3.82Å; D270-W273 HydrophobicContact CB-CB 3.96Å; D270-W273 WeakPolarHBondContact OD1-CB 3.44Å; D270-W273 PolarHBondContact OD1-N 3.35Å; Y271-W273 VanDerWaalsContact C-N 3.34Å; W273-E276 PolarHBondContact O-N 3.45Å; W273-K277 HydrophobicContact CD2-CG 4.03Å; W273-K277 HydrophobicContact CE3-CG 4.35Å; W273-K277 HydrophobicContact CH2-CG 4.13Å; W273-K277 HydrophobicContact CZ2-CD 4.22Å; W273-K277 VanDerWaalsContact CZ2-CE 3.44Å; W273-K277 HydrophobicContact CZ2-CG 3.81Å; W273-K277 HydrophobicContact CZ3-CG 4.39Å; W273-K277 WeakPolarHBondContact O-CB 3.49Å; W273-K277 VanDerWaalsContact O-CG 3.3Å; W273-K277 WeakPolarHBondContact O-CG 3.47Å; W273-K277 PolarHBondContact O-N 3.03Å
274I98.5Very high98.1Very high5 Ų559.8 Ų59.83%0.02628%0.284CS..Hα-helixtrans-63.4-47.2177.9-58.7164.5000109.9V124 L207 W256 D270 Y271 D272 E276 K277 M278V124-I274 HydrophobicContact CG1-CB 4.32Å; V124-I274 HydrophobicContact CG1-CG2 4.35Å; V124-I274 HydrophobicContact CG2-CG2 3.95Å; L207-I274 HydrophobicContact CD1-CD1 3.85Å; L207-I274 HydrophobicContact CD2-CD1 4.43Å; W256-I274 HydrophobicContact CD2-CG2 3.98Å; W256-I274 HydrophobicContact CE3-CG2 4.36Å; W256-I274 HydrophobicContact CG-CG1 4.47Å; W256-I274 HydrophobicContact CG-CG2 4.37Å; W256-I274 HydrophobicContact CZ2-CD1 4.46Å; W256-I274 HydrophobicContact CZ2-CG2 4.16Å; W256-I274 VanDerWaalsContact NE1-CD1 3.33Å; D270-I274 WeakPolarHBondContact O-CG1 3.5Å; D270-I274 PolarHBondContact O-N 2.85Å; Y271-I274 PolarHBondContact O-N 3.38Å; D272-I274 PolarHBondContact O-N 3.29Å; I274-E276 PolarHBondContact O-N 3.4Å; I274-K277 PolarHBondContact O-N 3.4Å; I274-M278 WeakPolarHBondContact O-CG 3.22Å; I274-M278 PolarHBondContact O-N 3.16Å; I274-M278 VanDerWaalsContact O-N 3.09Å
275I98.7Very high98.1Very high5 Ų557.6 Ų57.63%0.02628%0.279CS..Hα-helixtrans-60.4-46.3178.6-68.8162.5000110.4I121 V124 E125 Y271 D272 K277 M278 R279I121-I275 HydrophobicContact CG2-CG2 4.17Å; V124-I275 HydrophobicContact CB-CG1 4.21Å; V124-I275 HydrophobicContact CG1-CD1 4.1Å; V124-I275 HydrophobicContact CG1-CG1 3.81Å; E125-I275 HydrophobicContact CG-CD1 3.58Å; E125-I275 HydrophobicContact CG-CG1 4.3Å; Y271-I275 WeakPolarHBondContact O-CG1 2.91Å; Y271-I275 PolarHBondContact O-N 2.83Å; D272-I275 PolarHBondContact O-N 2.54Å; I275-K277 PolarHBondContact O-N 3.22Å; I275-M278 WeakPolarHBondContact O-CB 3.35Å; I275-M278 PolarHBondContact O-N 2.81Å; I275-R279 HydrophobicContact CG2-CG 4.46Å; I275-R279 WeakPolarHBondContact O-CG 3.18Å; I275-R279 PolarHBondContact O-N 2.71Å
276E98.5Very high98Very high65 Ų6558.7 Ų58.730%0.30430%0.298SS..Hα-helixtrans-68.2-35.7-178.7-178.852-153.900112D272 W273 I274 M278 R279 Q280 R283D272-E276 VanDerWaalsContact O-CB 3.25Å; D272-E276 WeakPolarHBondContact O-CB 3.45Å; D272-E276 PolarHBondContact O-N 3.46Å; W273-E276 PolarHBondContact O-N 3.45Å; I274-E276 PolarHBondContact O-N 3.4Å; E276-M278 VanDerWaalsContact C-N 3.32Å; E276-M278 PolarHBondContact O-N 3.3Å; E276-R279 PolarHBondContact O-N 3.06Å; E276-Q280 HydrophobicContact CG-CG 4.46Å; E276-Q280 WeakPolarHBondContact O-CB 3.5Å; E276-Q280 VanDerWaalsContact O-CG 3.26Å; E276-Q280 WeakPolarHBondContact O-CG 3.22Å; E276-Q280 PolarHBondContact O-N 2.79Å; E276-Q280 WeakPolarHBondContact OE1-CG 2.77Å; E276-Q280 PolarHBondContact OE1-NE2 3.42Å; E276-Q280 VanDerWaalsContact OE1-NE2 3.16Å; E276-R283 IonicContact OE1-CZ 3.13Å; E276-R283 IonicContact OE1-NH1 2.74Å; E276-R283 IonicContact OE1-NH2 3.65Å; E276-R283 PolarHBondContact OE1-NH2 3.26Å
277K98.3Very high97.9Very high35 Ų3557 Ų5715%0.15229%0.289CS..Hα-helixtrans-59.1-43.2170.6-79.8-68.6-167.8167.40112.1E255 W273 I274 I275 Q280 L281E255-K277 VanDerWaalsContact CD-NZ 3.26Å; E255-K277 IonicContact OE1-NZ 2.68Å; E255-K277 PolarHBondContact OE1-NZ 2.86Å; E255-K277 VanDerWaalsContact OE1-NZ 3.13Å; E255-K277 WeakPolarHBondContact OE2-CE 3.48Å; E255-K277 IonicContact OE2-NZ 3.2Å; E255-K277 PolarHBondContact OE2-NZ 3.09Å; W273-K277 HydrophobicContact CD2-CG 4.03Å; W273-K277 HydrophobicContact CE3-CG 4.35Å; W273-K277 HydrophobicContact CH2-CG 4.13Å; W273-K277 HydrophobicContact CZ2-CD 4.22Å; W273-K277 VanDerWaalsContact CZ2-CE 3.44Å; W273-K277 HydrophobicContact CZ2-CG 3.81Å; W273-K277 HydrophobicContact CZ3-CG 4.39Å; W273-K277 WeakPolarHBondContact O-CB 3.49Å; W273-K277 VanDerWaalsContact O-CG 3.3Å; W273-K277 WeakPolarHBondContact O-CG 3.47Å; W273-K277 PolarHBondContact O-N 3.03Å; I274-K277 PolarHBondContact O-N 3.4Å; I275-K277 PolarHBondContact O-N 3.22Å; K277-Q280 PolarHBondContact O-N 3.15Å; K277-L281 WeakPolarHBondContact O-CB 3.34Å; K277-L281 PolarHBondContact O-N 3.45Å
278M98.5Very high97.8Very high0 Ų060.1 Ų60.10%030%0.303CS..Hα-helixtrans-65.4-42.1175.7-67-50.5119.400112I117 V120 I121 E252 F253 W256 I274 I275 E276 L281 M282I117-M278 HydrophobicContact CG2-CB 3.71Å; I117-M278 HydrophobicContact CG2-CG 4.27Å; I117-M278 HydrophobicContact CG2-SD 4.13Å; V120-M278 HydrophobicContact CG1-CG 3.94Å; V120-M278 HydrophobicContact CG1-SD 4.15Å; I121-M278 HydrophobicContact CD1-CB 3.86Å; I121-M278 HydrophobicContact CG1-CB 3.52Å; I121-M278 HydrophobicContact CG1-CG 4.24Å; E252-M278 HydrophobicContact CB-CE 4.32Å; F253-M278 HydrophobicContact CE1-SD 4.45Å; F253-M278 HydrophobicContact CE2-CE 4.31Å; F253-M278 HydrophobicContact CE2-SD 3.96Å; F253-M278 HydrophobicContact CZ-CE 4.35Å; F253-M278 HydrophobicContact CZ-SD 3.79Å; W256-M278 HydrophobicContact CE3-CE 4.4Å; I274-M278 WeakPolarHBondContact O-CG 3.22Å; I274-M278 PolarHBondContact O-N 3.16Å; I274-M278 VanDerWaalsContact O-N 3.09Å; I275-M278 WeakPolarHBondContact O-CB 3.35Å; I275-M278 PolarHBondContact O-N 2.81Å; E276-M278 VanDerWaalsContact C-N 3.32Å; E276-M278 PolarHBondContact O-N 3.3Å; M278-L281 PolarHBondContact O-N 3.03Å; M278-M282 WeakPolarHBondContact O-CG 3.4Å; M278-M282 PolarHBondContact O-N 2.84Å
279R98.3Very high97.6Very high93 Ų9360.8 Ų60.835%0.35130%0.299SS..Hα-helixtrans-65.3-39.1175.9-71.7179.3176164.34.5112.7I121 E125 I275 E276 L281 M282 R283I121-R279 HydrophobicContact CD1-CG 3.98Å; E125-R279 IonicContact OE1-NH2 2.81Å; I275-R279 HydrophobicContact CG2-CG 4.46Å; I275-R279 WeakPolarHBondContact O-CG 3.18Å; I275-R279 PolarHBondContact O-N 2.71Å; E276-R279 PolarHBondContact O-N 3.06Å; R279-L281 VanDerWaalsContact C-N 3.34Å; R279-M282 WeakPolarHBondContact O-CB 3Å; R279-M282 PolarHBondContact O-N 2.77Å; R279-R283 WeakPolarHBondContact O-CG 3.39Å; R279-R283 PolarHBondContact O-N 3.43Å
280Q98.1Very high97.4Very high85 Ų8566 Ų6640%0.39733%0.327SS..Hα-helixtrans-60.6-45.6173.3-76.9171.511.400111.2E276 K277 M282 R283 A284E276-Q280 HydrophobicContact CG-CG 4.46Å; E276-Q280 WeakPolarHBondContact O-CB 3.5Å; E276-Q280 VanDerWaalsContact O-CG 3.26Å; E276-Q280 WeakPolarHBondContact O-CG 3.22Å; E276-Q280 PolarHBondContact O-N 2.79Å; E276-Q280 WeakPolarHBondContact OE1-CG 2.77Å; E276-Q280 PolarHBondContact OE1-NE2 3.42Å; E276-Q280 VanDerWaalsContact OE1-NE2 3.16Å; K277-Q280 PolarHBondContact O-N 3.15Å; Q280-M282 VanDerWaalsContact C-N 3.33Å; Q280-M282 PolarHBondContact O-N 2.91Å; Q280-R283 PolarHBondContact O-N 2.9Å; Q280-A284 WeakPolarHBondContact O-CB 3.29Å; Q280-A284 PolarHBondContact O-N 2.82Å
281L97.8Very high97.1Very high4 Ų462.7 Ų62.72%0.02131%0.311CS..Hα-helixtrans-62.4-39.7176.3176.558.5000112I117 P250 E252 F253 K277 M278 R279 A284 K285I117-L281 HydrophobicContact CD1-CD2 3.38Å; I117-L281 HydrophobicContact CD1-CG 3.63Å; I117-L281 HydrophobicContact CG1-CD2 4Å; P250-L281 HydrophobicContact CB-CD1 4.09Å; P250-L281 HydrophobicContact CB-CD2 3.46Å; P250-L281 VanDerWaalsContact CB-CD2 3.46Å; P250-L281 HydrophobicContact CB-CG 4.43Å; P250-L281 HydrophobicContact CG-CD2 3.76Å; E252-L281 HydrophobicContact CG-CB 4.32Å; E252-L281 HydrophobicContact CG-CD2 4.49Å; F253-L281 HydrophobicContact CE2-CD2 4.36Å; K277-L281 WeakPolarHBondContact O-CB 3.34Å; K277-L281 PolarHBondContact O-N 3.45Å; M278-L281 PolarHBondContact O-N 3.03Å; R279-L281 VanDerWaalsContact C-N 3.34Å; L281-A284 PolarHBondContact O-N 2.94Å; L281-K285 HydrophobicContact CD1-CG 3.93Å; L281-K285 WeakPolarHBondContact O-CB 3.49Å; L281-K285 WeakPolarHBondContact O-CG 3.15Å; L281-K285 PolarHBondContact O-N 2.78Å
282M97.9Very high96.9Very high6 Ų663.9 Ų63.93%0.0332%0.321CS..Hα-helixtrans-59.2-49.9172.8-72.7175.661.700111.6I117 R118 I121 M278 R279 Q280 A284 K285 G286 Y287 E289I117-M282 HydrophobicContact CB-CG 4.41Å; I117-M282 HydrophobicContact CG2-CG 3.66Å; I117-M282 HydrophobicContact CG2-SD 4Å; R118-M282 HydrophobicContact CG-CE 3.53Å; R118-M282 HydrophobicContact CG-SD 3.75Å; I121-M282 HydrophobicContact CD1-SD 3.56Å; I121-M282 VanDerWaalsContact CD1-SD 3.56Å; M278-M282 WeakPolarHBondContact O-CG 3.4Å; M278-M282 PolarHBondContact O-N 2.84Å; R279-M282 WeakPolarHBondContact O-CB 3Å; R279-M282 PolarHBondContact O-N 2.77Å; Q280-M282 VanDerWaalsContact C-N 3.33Å; Q280-M282 PolarHBondContact O-N 2.91Å; M282-A284 VanDerWaalsContact C-N 3.35Å; M282-A284 PolarHBondContact O-N 2.84Å; M282-K285 CarbonylContact O-C 3.58Å; M282-K285 PolarHBondContact O-N 2.98Å; M282-K285 VanDerWaalsContact O-N 3.16Å; M282-G286 PolarHBondContact O-N 2.77Å; M282-Y287 HydrophobicContact CG-CD2 4.49Å; M282-Y287 PolarHBondContact O-N 2.96Å; M282-E289 HydrophobicContact CE-CG 4.22Å
283R97.8Very high96.8Very high149 Ų14959.8 Ų59.856%0.56230%0.299SS*.Hα-helixtrans-59.3-44.7177.5-68.9-171.1-61.1-95.19.6111.8E276 R279 Q280 K285 G286E276-R283 IonicContact OE1-CZ 3.13Å; E276-R283 IonicContact OE1-NH1 2.74Å; E276-R283 IonicContact OE1-NH2 3.65Å; E276-R283 PolarHBondContact OE1-NH2 3.26Å; R279-R283 WeakPolarHBondContact O-CG 3.39Å; R279-R283 PolarHBondContact O-N 3.43Å; Q280-R283 PolarHBondContact O-N 2.9Å; R283-K285 PolarHBondContact O-N 2.86Å; R283-G286 PolarHBondContact O-N 2.89Å; R283-G286 VanDerWaalsContact O-N 3.14Å
284A97.5Very high96.7Very high83 Ų8356.3 Ų56.369%0.68629%0.286SS*.Hα-helixtrans-63.8-28.8178.900000113.2Q280 L281 M282Q280-A284 WeakPolarHBondContact O-CB 3.29Å; Q280-A284 PolarHBondContact O-N 2.82Å; L281-A284 PolarHBondContact O-N 2.94Å; M282-A284 VanDerWaalsContact C-N 3.35Å; M282-A284 PolarHBondContact O-N 2.84Å
285K96.3Very high96.4Very high127 Ų12758 Ų5855%0.55229%0.292SS*.Hα-helixtrans-95-2.4176.8-64.6-66.4-176.6-174.60113.8L281 M282 R283 Y287L281-K285 HydrophobicContact CD1-CG 3.93Å; L281-K285 WeakPolarHBondContact O-CB 3.49Å; L281-K285 WeakPolarHBondContact O-CG 3.15Å; L281-K285 PolarHBondContact O-N 2.78Å; M282-K285 CarbonylContact O-C 3.58Å; M282-K285 PolarHBondContact O-N 2.98Å; M282-K285 VanDerWaalsContact O-N 3.16Å; R283-K285 PolarHBondContact O-N 2.86Å; K285-Y287 VanDerWaalsContact C-N 3.28Å; K285-Y287 HydrophobicContact CB-CD1 4.13Å; K285-Y287 HydrophobicContact CB-CD2 3.64Å; K285-Y287 HydrophobicContact CB-CE1 3.91Å; K285-Y287 HydrophobicContact CB-CE2 3.38Å; K285-Y287 HydrophobicContact CB-CG 4Å; K285-Y287 HydrophobicContact CG-CD2 4.39Å; K285-Y287 HydrophobicContact CG-CE2 3.8Å; K285-Y287 PolarHBondContact O-N 3.42Å
286G96.5Very high96.1Very high50 Ų5058.7 Ų58.752%0.51530%0.295SS..THydrogen-bonded Turntrans7118-176.800000114.6M282 R283 Q288M282-G286 PolarHBondContact O-N 2.77Å; R283-G286 PolarHBondContact O-N 2.89Å; R283-G286 VanDerWaalsContact O-N 3.14Å; G286-Q288 PolarHBondContact O-NE2 2.88Å
287Y95.8Very high95.5Very high64 Ų6462.3 Ų62.325%0.25131%0.312SS..  trans-75.3136.3178.7-58.5-30.9000111.2T113 N114 I117 M282 K285T113-Y287 HydrophobicContact CG2-CE2 4.06Å; N114-Y287 HydrophobicContact CB-CD1 3.86Å; N114-Y287 HydrophobicContact CB-CD2 3.88Å; N114-Y287 HydrophobicContact CB-CE1 4.01Å; N114-Y287 HydrophobicContact CB-CE2 4.03Å; N114-Y287 HydrophobicContact CB-CG 3.8Å; I117-Y287 HydrophobicContact CD1-CD2 4.31Å; I117-Y287 HydrophobicContact CD1-CE2 4.17Å; M282-Y287 HydrophobicContact CG-CD2 4.49Å; M282-Y287 PolarHBondContact O-N 2.96Å; K285-Y287 VanDerWaalsContact C-N 3.28Å; K285-Y287 HydrophobicContact CB-CD1 4.13Å; K285-Y287 HydrophobicContact CB-CD2 3.64Å; K285-Y287 HydrophobicContact CB-CE1 3.91Å; K285-Y287 HydrophobicContact CB-CE2 3.38Å; K285-Y287 HydrophobicContact CB-CG 4Å; K285-Y287 HydrophobicContact CG-CD2 4.39Å; K285-Y287 HydrophobicContact CG-CE2 3.8Å; K285-Y287 PolarHBondContact O-N 3.42Å
288Q95.1Very high95Very high111 Ų11163.5 Ų63.552%0.51933%0.334SS..  trans-101.3150177.4-52-57.8-49.600110.8G286 D290 S291G286-Q288 PolarHBondContact O-NE2 2.88Å; Q288-D290 VanDerWaalsContact C-N 3.28Å; Q288-D290 WeakPolarHBondContact CB-OD1 3.28Å; Q288-D290 PolarHBondContact O-N 2.8Å; Q288-S291 PolarHBondContact N-OG 3.2Å; Q288-S291 VanDerWaalsContact O-CB 3.32Å; Q288-S291 WeakPolarHBondContact O-CB 3.49Å; Q288-S291 PolarHBondContact O-N 2.81Å; Q288-S291 PolarHBondContact O-OG 3.48Å; Q288-S291 VanDerWaalsContact O-OG 3.07Å
289E93.2Very high94.4Very high108 Ų10864 Ų6451%0.50534%0.339SS..THydrogen-bonded Turntrans-62.6-36.5178.6-69-68.4175.300112.4R118 M282 S291R118-E289 PolarHBondContact NH1-O 3Å; M282-E289 HydrophobicContact CE-CG 4.22Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 2.89Å
290D93.6Very high93.7Very high114 Ų11465.2 Ų65.261%0.6135%0.353SS*.THydrogen-bonded Turntrans-86.42-178.167.9-18.4000114.1R155 Q288R155-D290 PolarHBondContact NH1-O 3.36Å; Q288-D290 VanDerWaalsContact C-N 3.28Å; Q288-D290 WeakPolarHBondContact CB-OD1 3.28Å; Q288-D290 PolarHBondContact O-N 2.8Å
291S93.7Very high92.9Very high25 Ų2561.7 Ų61.718%0.17534%0.337CS..SBendtrans-56.4138.9174.5-67.50000110.4N114 R118 Q288 E289 Y293N114-S291 VanDerWaalsContact ND2-CB 3.3Å; N114-S291 WeakPolarHBondContact ND2-CB 3.23Å; R118-S291 PolarHBondContact NH1-O 2.71Å; R118-S291 PolarHBondContact NH2-O 2.92Å; Q288-S291 PolarHBondContact N-OG 3.2Å; Q288-S291 VanDerWaalsContact O-CB 3.32Å; Q288-S291 WeakPolarHBondContact O-CB 3.49Å; Q288-S291 PolarHBondContact O-N 2.81Å; Q288-S291 PolarHBondContact O-OG 3.48Å; Q288-S291 VanDerWaalsContact O-OG 3.07Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 2.89Å; S291-Y293 PolarHBondContact O-N 2.79Å
292P94.6Very high92.2Very high45 Ų4565.3 Ų65.329%0.29235%0.351SS..PPolyproline II helixtrans-54.6138.4174.4-25.234.3000111.6R118 E296R118-P292 PolarHBondContact NH2-O 2.82Å; R118-P292 VanDerWaalsContact NH2-O 3.11Å; P292-E296 VanDerWaalsContact CA-OE2 3.32Å; P292-E296 WeakPolarHBondContact CA-OE2 3.36Å; P292-E296 HydrophobicContact CB-CB 4.05Å
293Y96.3Very high91.1Very high6 Ų669.9 Ų69.92%0.02437%0.374CS..PPolyproline II helixtrans-69.4162165.9-75.3-65.1000110.5T115 R118 L119 Q122 M147 R155 S291 W295 E296 G299T115-Y293 HydrophobicContact CG2-CD1 3.74Å; T115-Y293 HydrophobicContact CG2-CE1 4.44Å; R118-Y293 HydrophobicContact CB-CE1 3.88Å; R118-Y293 VanDerWaalsContact CZ-CE1 3.48Å; R118-Y293 VanDerWaalsContact NH2-CD1 3.35Å; L119-Y293 HydrophobicContact CD2-CE1 4.24Å; L119-Y293 HydrophobicContact CG-CE1 4.1Å; Q122-Y293 PolarHBondContact NE2-OH 3.03Å; M147-Y293 HydrophobicContact CE-CD2 4.26Å; M147-Y293 HydrophobicContact CE-CE2 3.84Å; R155-Y293 HydrophobicContact CB-CE2 4.12Å; R155-Y293 HydrophobicContact CG-CD2 4.1Å; R155-Y293 HydrophobicContact CG-CE2 3.99Å; S291-Y293 PolarHBondContact O-N 2.79Å; Y293-W295 VanDerWaalsContact CB-CE2 3.44Å; Y293-W295 VanDerWaalsContact CB-CZ2 3.45Å; Y293-W295 AromaticContact CD1-CH2 3.81Å; Y293-W295 HydrophobicContact CD1-CH2 3.81Å; Y293-W295 AromaticContact CD1-CZ2 3.98Å; Y293-W295 HydrophobicContact CD1-CZ2 3.98Å; Y293-W295 HydrophobicContact CD1-CZ3 4.5Å; Y293-W295 HydrophobicContact CD2-CH2 4.33Å; Y293-W295 AromaticContact CD2-CZ2 3.67Å; Y293-W295 HydrophobicContact CD2-CZ2 3.67Å; Y293-W295 HydrophobicContact CE1-CH2 4.43Å; Y293-W295 HydrophobicContact CE2-CZ2 4.4Å; Y293-W295 AromaticContact CG-CE2 3.95Å; Y293-W295 AromaticContact CG-CH2 3.74Å; Y293-W295 HydrophobicContact CG-CH2 3.74Å; Y293-W295 AromaticContact CG-CZ2 3.43Å; Y293-W295 HydrophobicContact CG-CZ2 3.43Å; Y293-W295 VanDerWaalsContact CG-CZ2 3.43Å; Y293-W295 HydrophobicContact CG-CZ3 4.49Å; Y293-W295 PolarHBondContact O-N 2.85Å; Y293-E296 WeakPolarHBondContact CD2-OE1 3.44Å; Y293-E296 PolarHBondContact N-OE2 3.24Å; Y293-E296 VanDerWaalsContact N-OE2 3.15Å; Y293-E296 WeakPolarHBondContact O-CB 3.27Å; Y293-E296 PolarHBondContact O-N 2.71Å; Y293-G299 WeakPolarHBondContact O-CA 3.41Å
294D95.5Very high89.3Confident2 Ų268.5 Ų68.51%0.01137%0.374CS..THydrogen-bonded Turntrans-58.1-20.3-176.1-69.2-27.1000114.9V106 F111 K112 T115 S301 Y302V106-D294 HydrophobicContact CG1-CB 4.05Å; F111-D294 WeakPolarHBondContact CA-OD2 3.46Å; F111-D294 WeakPolarHBondContact CB-OD2 3.3Å; F111-D294 HydrophobicContact CD1-CB 3.98Å; F111-D294 WeakPolarHBondContact CD1-OD2 3.23Å; K112-D294 VanDerWaalsContact CG-OD1 3.31Å; K112-D294 WeakPolarHBondContact CG-OD1 3.39Å; K112-D294 PolarHBondContact N-OD2 2.97Å; T115-D294 WeakPolarHBondContact CB-OD2 3.44Å; T115-D294 HydrophobicContact CG2-CB 4.34Å; T115-D294 WeakPolarHBondContact CG2-OD2 3.45Å; T115-D294 PolarHBondContact OG1-N 2.98Å; T115-D294 VanDerWaalsContact OG1-N 3.11Å; T115-D294 PolarHBondContact OG1-OD1 3.05Å; T115-D294 VanDerWaalsContact OG1-OD1 3.04Å; T115-D294 PolarHBondContact OG1-OD2 2.9Å; T115-D294 VanDerWaalsContact OG1-OD2 3.12Å; D294-S301 CarbonylContact O-C 3.48Å; D294-Y302 WeakPolarHBondContact O-CA 3.34Å; D294-Y302 PolarHBondContact O-N 2.89Å; D294-Y302 VanDerWaalsContact O-N 3.1Å
295W92.7Very high86.9Confident42 Ų4269.3 Ų69.316%0.15937%0.37CS..THydrogen-bonded Turntrans-100.6-2.3178.256.778.6000113.7L99 L102 V106 F111 T115 L119 M147 Y293 Y302L99-W295 HydrophobicContact CD2-CH2 4.42Å; L102-W295 HydrophobicContact CB-CD2 4.34Å; L102-W295 HydrophobicContact CB-CE3 4.06Å; L102-W295 HydrophobicContact CB-CZ3 4.46Å; L102-W295 HydrophobicContact CD1-CD2 4.09Å; L102-W295 HydrophobicContact CD1-CE3 4.34Å; L102-W295 HydrophobicContact CD1-CH2 4.31Å; L102-W295 HydrophobicContact CD1-CZ2 4.04Å; L102-W295 HydrophobicContact CD1-CZ3 4.45Å; L102-W295 HydrophobicContact CD2-CB 4.01Å; L102-W295 HydrophobicContact CD2-CD2 3.85Å; L102-W295 HydrophobicContact CD2-CE3 4.41Å; L102-W295 HydrophobicContact CD2-CG 3.65Å; L102-W295 HydrophobicContact CG-CD2 4.32Å; V106-W295 HydrophobicContact CG1-CB 4.47Å; F111-W295 HydrophobicContact CD1-CE3 4.25Å; F111-W295 HydrophobicContact CD1-CZ3 4.11Å; F111-W295 HydrophobicContact CD2-CZ3 4.31Å; F111-W295 AromaticContact CE1-CE3 3.52Å; F111-W295 HydrophobicContact CE1-CE3 3.52Å; F111-W295 AromaticContact CE1-CZ3 3.55Å; F111-W295 HydrophobicContact CE1-CZ3 3.55Å; F111-W295 AromaticContact CE2-CZ3 3.75Å; F111-W295 HydrophobicContact CE2-CZ3 3.75Å; F111-W295 AromaticContact CZ-CE3 3.68Å; F111-W295 HydrophobicContact CZ-CE3 3.68Å; F111-W295 HydrophobicContact CZ-CH2 4.46Å; F111-W295 AromaticContact CZ-CZ3 3.34Å; F111-W295 HydrophobicContact CZ-CZ3 3.34Å; T115-W295 HydrophobicContact CG2-CE3 4.46Å; T115-W295 HydrophobicContact CG2-CH2 4.01Å; T115-W295 HydrophobicContact CG2-CZ3 3.59Å; L119-W295 HydrophobicContact CD1-CH2 3.89Å; L119-W295 HydrophobicContact CD1-CZ3 4.19Å; L119-W295 HydrophobicContact CD2-CH2 4.03Å; L119-W295 HydrophobicContact CG-CH2 4.27Å; M147-W295 HydrophobicContact CE-CZ2 4.11Å; M147-W295 HydrophobicContact CG-CZ2 3.76Å; M147-W295 HydrophobicContact SD-CH2 4.39Å; M147-W295 HydrophobicContact SD-CZ2 3.87Å; Y293-W295 VanDerWaalsContact CB-CE2 3.44Å; Y293-W295 VanDerWaalsContact CB-CZ2 3.45Å; Y293-W295 AromaticContact CD1-CH2 3.81Å; Y293-W295 HydrophobicContact CD1-CH2 3.81Å; Y293-W295 AromaticContact CD1-CZ2 3.98Å; Y293-W295 HydrophobicContact CD1-CZ2 3.98Å; Y293-W295 HydrophobicContact CD1-CZ3 4.5Å; Y293-W295 HydrophobicContact CD2-CH2 4.33Å; Y293-W295 AromaticContact CD2-CZ2 3.67Å; Y293-W295 HydrophobicContact CD2-CZ2 3.67Å; Y293-W295 HydrophobicContact CE1-CH2 4.43Å; Y293-W295 HydrophobicContact CE2-CZ2 4.4Å; Y293-W295 AromaticContact CG-CE2 3.95Å; Y293-W295 AromaticContact CG-CH2 3.74Å; Y293-W295 HydrophobicContact CG-CH2 3.74Å; Y293-W295 AromaticContact CG-CZ2 3.43Å; Y293-W295 HydrophobicContact CG-CZ2 3.43Å; Y293-W295 VanDerWaalsContact CG-CZ2 3.43Å; Y293-W295 HydrophobicContact CG-CZ3 4.49Å; Y293-W295 PolarHBondContact O-N 2.85Å; W295-Y302 WeakPolarHBondContact O-CD2 3.33Å
296E92.1Very high84.2Confident19 Ų1972.6 Ų72.69%0.08939%0.39CS..SBendtrans-93.2154.1178.8-66.7176.9-178.300110.9Y154 R155 P292 Y293 G298 G299 Y302Y154-E296 WeakPolarHBondContact CE2-OE1 3.47Å; R155-E296 VanDerWaalsContact CG-OE1 3.22Å; R155-E296 WeakPolarHBondContact CG-OE1 3.45Å; R155-E296 IonicContact CZ-OE2 3.6Å; R155-E296 IonicContact NE-OE1 2.7Å; R155-E296 PolarHBondContact NE-OE1 3.02Å; R155-E296 IonicContact NE-OE2 2.65Å; R155-E296 PolarHBondContact NE-OE2 2.83Å; R155-E296 IonicContact NH2-OE2 3.86Å; R155-E296 PolarHBondContact NH2-OE2 2.78Å; P292-E296 VanDerWaalsContact CA-OE2 3.32Å; P292-E296 WeakPolarHBondContact CA-OE2 3.36Å; P292-E296 HydrophobicContact CB-CB 4.05Å; Y293-E296 WeakPolarHBondContact CD2-OE1 3.44Å; Y293-E296 PolarHBondContact N-OE2 3.24Å; Y293-E296 VanDerWaalsContact N-OE2 3.15Å; Y293-E296 WeakPolarHBondContact O-CB 3.27Å; Y293-E296 PolarHBondContact O-N 2.71Å; E296-G298 PolarHBondContact O-N 3.17Å; E296-G299 WeakPolarHBondContact O-CA 3.3Å; E296-G299 PolarHBondContact O-N 2.87Å; E296-Y302 VanDerWaalsContact C-CD2 3.44Å; E296-Y302 WeakPolarHBondContact O-CB 3.49Å; E296-Y302 VanDerWaalsContact O-CD2 3.3Å; E296-Y302 WeakPolarHBondContact O-CD2 3.41Å; E296-Y302 VanDerWaalsContact O-CG 3.24Å
297E86.4Confident81.3Confident140 Ų14074.3 Ų74.365%0.65440%0.399SS*.THydrogen-bonded Turntrans-55.5131170.8-170.9174179.700110.6G299 Y302E297-G299 VanDerWaalsContact C-N 3.3Å; E297-Y302 HydrophobicContact CB-CE1 4.08Å; E297-Y302 HydrophobicContact CG-CE1 4.05Å
298G87.1Confident78.7Confident60 Ų6076 Ų7662%0.61942%0.417SS*.THydrogen-bonded Turntrans83-2.2-171.500000115E296E296-G298 PolarHBondContact O-N 3.17Å
299G86.7Confident76.1Confident10 Ų1073.8 Ų73.810%0.10341%0.413CS..  trans-72144.5172.700000112.7Y293 E296 E297 S301 Y302Y293-G299 WeakPolarHBondContact O-CA 3.41Å; E296-G299 WeakPolarHBondContact O-CA 3.3Å; E296-G299 PolarHBondContact O-N 2.87Å; E297-G299 VanDerWaalsContact C-N 3.3Å; G299-S301 PolarHBondContact O-N 2.83Å; G299-Y302 VanDerWaalsContact O-CB 3.24Å; G299-Y302 WeakPolarHBondContact O-CB 3.38Å; G299-Y302 PolarHBondContact O-N 2.87Å
300D82.2Confident73.9Confident120 Ų12075 Ų7564%0.64243%0.43SS*.THydrogen-bonded Turntrans-56.7-19.7-177.5-74-18.1000115K112K112-D300 HydrophobicContact CD-CB 4.38Å; K112-D300 HydrophobicContact CG-CB 3.75Å
301S83.1Confident71.8Confident10 Ų1075.4 Ų75.47%0.0743%0.432CS..THydrogen-bonded Turntrans-12112.5-179.5-38.10000112.3P107 K112 D294 G299 M303P107-S301 WeakPolarHBondContact CD-O 3.47Å; K112-S301 VanDerWaalsContact CE-OG 3.26Å; K112-S301 WeakPolarHBondContact CE-OG 3.28Å; D294-S301 CarbonylContact O-C 3.48Å; G299-S301 PolarHBondContact O-N 2.83Å; S301-M303 PolarHBondContact O-N 3.49Å
302Y81.5Confident70.5Confident80 Ų8078.6 Ų78.631%0.31445%0.447SS..  trans-68.8120.3-179.4-178.2-111.8000109.7D294 W295 E296 E297 G299 H304D294-Y302 WeakPolarHBondContact O-CA 3.34Å; D294-Y302 PolarHBondContact O-N 2.89Å; D294-Y302 VanDerWaalsContact O-N 3.1Å; W295-Y302 WeakPolarHBondContact O-CD2 3.33Å; E296-Y302 VanDerWaalsContact C-CD2 3.44Å; E296-Y302 WeakPolarHBondContact O-CB 3.49Å; E296-Y302 VanDerWaalsContact O-CD2 3.3Å; E296-Y302 WeakPolarHBondContact O-CD2 3.41Å; E296-Y302 VanDerWaalsContact O-CG 3.24Å; E297-Y302 HydrophobicContact CB-CE1 4.08Å; E297-Y302 HydrophobicContact CG-CE1 4.05Å; G299-Y302 VanDerWaalsContact O-CB 3.24Å; G299-Y302 WeakPolarHBondContact O-CB 3.38Å; G299-Y302 PolarHBondContact O-N 2.87Å; Y302-H304 HydrophobicContact CE1-CB 4.29Å; Y302-H304 AromaticContact CE1-CE1 3.8Å; Y302-H304 AromaticContact CE1-CG 3.74Å; Y302-H304 AromaticContact CE1-ND1 3.61Å; Y302-H304 AromaticContact CZ-ND1 3.91Å; Y302-H304 PolarHBondContact OH-ND1 3.42Å
303M75.3Confident69.9Low102 Ų10277.5 Ų77.550%0.50244%0.439SS..  trans-103.4118.5170.3-66.8-153.1-62.300108.8P107 S301 T305P107-M303 HydrophobicContact CG-CE 4.23Å; P107-M303 HydrophobicContact CG-CG 3.78Å; P107-M303 HydrophobicContact CG-SD 3.84Å; S301-M303 PolarHBondContact O-N 3.49Å; M303-T305 PolarHBondContact O-N 2.88Å
304H60.9Low69.3Low121 Ų12177.9 Ų77.956%0.5644%0.442SS*.  trans-686.3179.7-125.8-30.7000114.1Y302 M306Y302-H304 HydrophobicContact CE1-CB 4.29Å; Y302-H304 AromaticContact CE1-CE1 3.8Å; Y302-H304 AromaticContact CE1-CG 3.74Å; Y302-H304 AromaticContact CE1-ND1 3.61Å; Y302-H304 AromaticContact CZ-ND1 3.91Å; Y302-H304 PolarHBondContact OH-ND1 3.42Å; H304-M306 PolarHBondContact O-N 3.12Å
305T47.4Very low69Low100 Ų10077.9 Ų77.961%0.61344%0.441SS*.  trans-59.2111.3178.9440000109M303 A307M303-T305 PolarHBondContact O-N 2.88Å; T305-A307 PolarHBondContact O-N 2.71Å
306M38.2Very low68.8Low196 Ų19680.8 Ų80.897%0.96646%0.457SS*.SBendtrans-63.644.7-171-62.5-165.8174.200115H304H304-M306 PolarHBondContact O-N 3.12Å
307A36.2Very low68.6Low86 Ų8680 Ų8071%0.71145%0.453SS*.  trans-140.329.6-176.800000112.9T305 S309T305-A307 PolarHBondContact O-N 2.71Å; A307-S309 PolarHBondContact O-N 2.74Å; A307-S309 VanDerWaalsContact O-N 3.12Å
308T42Very low68.8Low100 Ų10073.8 Ų73.861%0.61343%0.425SS*.  trans-81.377.8150.755.30000106.8
309S39.5Very low68.8Low63 Ų6371.4 Ų71.444%0.44140%0.398SS..  trans-51127.1169.4-166.80000107.3A307 L311 N312A307-S309 PolarHBondContact O-N 2.74Å; A307-S309 VanDerWaalsContact O-N 3.12Å; S309-L311 PolarHBondContact O-N 3.13Å; S309-N312 PolarHBondContact O-N 2.85Å
310P46.1Very low68.8Low133 Ų13377.2 Ų77.286%0.86442%0.42SS*.THydrogen-bonded Turntrans-62.5-2.6179.923.4-31.8000113
311L50.6Low68.9Low123 Ų12372.6 Ų72.664%0.64439%0.394SS*.THydrogen-bonded Turntrans-902.9-176.6-77.4157.2000115.4S309 N313S309-L311 PolarHBondContact O-N 3.13Å; L311-N313 PolarHBondContact O-N 3.3Å
312N66.6Low68.8Low93 Ų9372.5 Ų72.550%0.49739%0.393SS..  trans-70.1118.8178-92.84.6000111.2S309 P314S309-N312 PolarHBondContact O-N 2.85Å; N312-P314 WeakPolarHBondContact O-CD 3.19Å
313N82.3Confident68.5Low22 Ų2273.2 Ų73.212%0.11840%0.398CS..  trans-53.2116.7178.9166.716.2000110.4L24 L311 Y315 E316L24-N313 VanDerWaalsContact C-ND2 3.32Å; L24-N313 WeakPolarHBondContact CB-OD1 3.18Å; L24-N313 HydrophobicContact CD2-CB 4.27Å; L24-N313 PolarHBondContact O-ND2 3.23Å; L311-N313 PolarHBondContact O-N 3.3Å; N313-Y315 PolarHBondContact O-N 3.17Å; N313-Y315 VanDerWaalsContact O-N 3.09Å; N313-Y315 WeakPolarHBondContact OD1-CA 3.38Å; N313-Y315 PolarHBondContact OD1-N 2.56Å; N313-E316 HydrophobicContact CB-CB 4.17Å; N313-E316 PolarHBondContact ND2-N 3.02Å; N313-E316 WeakPolarHBondContact O-CB 3.25Å; N313-E316 PolarHBondContact O-N 3.24Å; N313-E316 VanDerWaalsContact O-N 3.16Å
314P82.1Confident68.6Low13 Ų1373.7 Ų73.78%0.08440%0.399CS..THydrogen-bonded Turntrans-63.4-19.6-177.625.6-34.7000113.9L94 A95 G96 N98 N312L94-P314 HydrophobicContact CD1-CG 3.89Å; A95-P314 WeakPolarHBondContact O-CB 3.41Å; A95-P314 WeakPolarHBondContact O-CG 3.29Å; G96-P314 WeakPolarHBondContact O-CB 3.44Å; N98-P314 PolarHBondContact ND2-O 2.96Å; N312-P314 WeakPolarHBondContact O-CD 3.19Å
315Y89.3Confident69.1Low2 Ų268.3 Ų68.31%0.00837%0.374CS..THydrogen-bonded Turntrans-104.68.9-177.8-51.1-69.1000113L24 V32 A46 L94 A95 L160 N313 Q318 I319L24-Y315 HydrophobicContact CD1-CD2 3.61Å; L24-Y315 HydrophobicContact CD1-CE2 3.79Å; V32-Y315 HydrophobicContact CG1-CD2 3.84Å; V32-Y315 HydrophobicContact CG1-CE2 4.09Å; A46-Y315 HydrophobicContact CB-CE2 3.87Å; A46-Y315 WeakPolarHBondContact CB-OH 3.47Å; L94-Y315 HydrophobicContact CD1-CE2 3.53Å; A95-Y315 HydrophobicContact CB-CE1 4.4Å; A95-Y315 PolarHBondContact N-OH 3.48Å; L160-Y315 HydrophobicContact CD1-CD1 4.15Å; L160-Y315 HydrophobicContact CD1-CE1 3.94Å; N313-Y315 PolarHBondContact O-N 3.17Å; N313-Y315 VanDerWaalsContact O-N 3.09Å; N313-Y315 WeakPolarHBondContact OD1-CA 3.38Å; N313-Y315 PolarHBondContact OD1-N 2.56Å; Y315-Q318 PolarHBondContact O-N 3.05Å; Y315-I319 VanDerWaalsContact O-CB 3.3Å; Y315-I319 WeakPolarHBondContact O-CB 3.35Å; Y315-I319 WeakPolarHBondContact O-CD1 3.49Å; Y315-I319 WeakPolarHBondContact O-CG1 3.38Å; Y315-I319 PolarHBondContact O-N 3.44Å
316E88.6Confident70.1Confident103 Ų10365 Ų6548%0.48135%0.352SS..Hα-helixtrans-57.8-58.1-173-173.1-175.8170.500112.5N313 Q318 I319 K320N313-E316 HydrophobicContact CB-CB 4.17Å; N313-E316 PolarHBondContact ND2-N 3.02Å; N313-E316 WeakPolarHBondContact O-CB 3.25Å; N313-E316 PolarHBondContact O-N 3.24Å; N313-E316 VanDerWaalsContact O-N 3.16Å; E316-Q318 VanDerWaalsContact C-N 3.3Å; E316-Q318 PolarHBondContact O-N 3.02Å; E316-I319 PolarHBondContact O-N 2.91Å; E316-K320 WeakPolarHBondContact O-CB 3.33Å; E316-K320 PolarHBondContact O-N 3.23Å
317S89.1Confident71.4Confident2 Ų265 Ų651%0.01434%0.342CS..Hα-helixtrans-63.9-35.7178.4-81.10000112.5D101 R104 K320 E321D101-S317 WeakPolarHBondContact OD1-CB 3.43Å; D101-S317 PolarHBondContact OD1-OG 2.9Å; R104-S317 PolarHBondContact NH1-OG 3.42Å; S317-K320 PolarHBondContact O-N 2.86Å; S317-E321 WeakPolarHBondContact O-CB 3.15Å; S317-E321 VanDerWaalsContact O-CG 3.28Å; S317-E321 WeakPolarHBondContact O-CG 3.48Å; S317-E321 PolarHBondContact O-N 2.86Å
318Q89.2Confident72.6Confident11 Ų1163.9 Ų63.95%0.05133%0.326CS..Hα-helixtrans-61.6-49.5176.7-175.6-179.26100111.7N144 L160 Y315 E316 K320 E321 Q322N144-Q318 WeakPolarHBondContact OD1-CG 3.28Å; N144-Q318 PolarHBondContact OD1-NE2 2.67Å; L160-Q318 VanDerWaalsContact CB-NE2 3.34Å; Y315-Q318 PolarHBondContact O-N 3.05Å; E316-Q318 VanDerWaalsContact C-N 3.3Å; E316-Q318 PolarHBondContact O-N 3.02Å; Q318-K320 VanDerWaalsContact C-N 3.33Å; Q318-K320 PolarHBondContact O-N 3.08Å; Q318-E321 PolarHBondContact O-N 3.37Å; Q318-Q322 WeakPolarHBondContact O-CG 3.42Å; Q318-Q322 PolarHBondContact O-N 3.48Å
319I87.7Confident73.3Confident10 Ų1060.4 Ų60.45%0.05131%0.306CS..Hα-helixtrans-63-41.5-180-72.6169.1000110.7E26 V32 Y315 E316E26-I319 WeakPolarHBondContact O-CG2 3.42Å; V32-I319 HydrophobicContact CB-CD1 4.15Å; V32-I319 HydrophobicContact CG2-CD1 4.02Å; V32-I319 HydrophobicContact CG2-CG1 4.42Å; Y315-I319 VanDerWaalsContact O-CB 3.3Å; Y315-I319 WeakPolarHBondContact O-CB 3.35Å; Y315-I319 WeakPolarHBondContact O-CD1 3.49Å; Y315-I319 WeakPolarHBondContact O-CG1 3.38Å; Y315-I319 PolarHBondContact O-N 3.44Å; E316-I319 PolarHBondContact O-N 2.91Å
320K86.8Confident73.6Confident132 Ų13267.5 Ų67.557%0.57433%0.332SS*.Hα-helixtrans-61.9-46.2176.8-173.2176.1179.1176.50111.6E316 S317 Q318 K323E316-K320 WeakPolarHBondContact O-CB 3.33Å; E316-K320 PolarHBondContact O-N 3.23Å; S317-K320 PolarHBondContact O-N 2.86Å; Q318-K320 VanDerWaalsContact C-N 3.33Å; Q318-K320 PolarHBondContact O-N 3.08Å; K320-K323 PolarHBondContact O-N 3.25Å
321E85.2Confident75Confident22 Ų2264.2 Ų64.210%0.10331%0.305CS..Hα-helixtrans-70.3-32.7-178.7-72.3174.3-164.600113K141 S143 S317 Q318 K323 E324 V325K141-E321 WeakPolarHBondContact CD-OE2 3.16Å; K141-E321 WeakPolarHBondContact CE-OE2 3.3Å; K141-E321 IonicContact NZ-OE2 3.73Å; S143-E321 WeakPolarHBondContact CB-OE2 3.4Å; S143-E321 PolarHBondContact OG-OE2 2.81Å; S317-E321 WeakPolarHBondContact O-CB 3.15Å; S317-E321 VanDerWaalsContact O-CG 3.28Å; S317-E321 WeakPolarHBondContact O-CG 3.48Å; S317-E321 PolarHBondContact O-N 2.86Å; Q318-E321 PolarHBondContact O-N 3.37Å; E321-K323 PolarHBondContact O-N 2.98Å; E321-E324 WeakPolarHBondContact O-CB 3.38Å; E321-E324 PolarHBondContact O-N 2.87Å; E321-V325 PolarHBondContact O-N 3.1Å; E321-V325 VanDerWaalsContact O-N 3.09Å
322Q79.5Confident76.2Confident9 Ų961.1 Ų61.14%0.04229%0.288CS..Hα-helixtrans-58.7-35.6175-81178.80.800112.6D161 Q318 E324 V325 I326D161-Q322 VanDerWaalsContact CG-NE2 3.35Å; D161-Q322 PolarHBondContact OD2-NE2 3.1Å; Q318-Q322 WeakPolarHBondContact O-CG 3.42Å; Q318-Q322 PolarHBondContact O-N 3.48Å; Q322-E324 VanDerWaalsContact C-N 3.27Å; Q322-E324 PolarHBondContact O-N 2.95Å; Q322-V325 PolarHBondContact O-N 3.27Å; Q322-I326 PolarHBondContact O-N 2.89Å
323K76.7Confident76.8Confident95 Ų9559.3 Ų59.341%0.41328%0.276SS..Hα-helixtrans-63-34175.7-67.6-175.1-179.3175.90112.3E26 K320 E321 R327E26-K323 WeakPolarHBondContact O-CE 3.4Å; E26-K323 PolarHBondContact O-NZ 2.94Å; K320-K323 PolarHBondContact O-N 3.25Å; E321-K323 PolarHBondContact O-N 2.98Å; K323-R327 WeakPolarHBondContact O-CG 3.23Å
324E76.2Confident76.4Confident112 Ų11261.5 Ų61.552%0.52329%0.285SS..Hα-helixtrans-76.7-37.8178.9-63.8-179.4173.700112.2E321 Q322 I326 R327 T328E321-E324 WeakPolarHBondContact O-CB 3.38Å; E321-E324 PolarHBondContact O-N 2.87Å; Q322-E324 VanDerWaalsContact C-N 3.27Å; Q322-E324 PolarHBondContact O-N 2.95Å; E324-I326 VanDerWaalsContact C-N 3.33Å; E324-I326 PolarHBondContact O-N 3.5Å; E324-R327 PolarHBondContact O-N 2.73Å; E324-T328 PolarHBondContact O-N 3.31Å; E324-T328 PolarHBondContact O-OG1 2.83Å
325V71.6Confident76.1Confident7 Ų764.6 Ų64.64%0.04230%0.298CS..Hα-helixtrans-63.8-38.4178.3175.90000111.5L164 T187 E321 Q322 T328 S329L164-V325 HydrophobicContact CD1-CG1 4.01Å; T187-V325 WeakPolarHBondContact OG1-CG2 3.42Å; E321-V325 PolarHBondContact O-N 3.1Å; E321-V325 VanDerWaalsContact O-N 3.09Å; Q322-V325 PolarHBondContact O-N 3.27Å; V325-T328 WeakPolarHBondContact CA-OG1 3.43Å; V325-T328 PolarHBondContact O-N 2.86Å; V325-T328 PolarHBondContact O-OG1 2.63Å; V325-T328 VanDerWaalsContact O-OG1 3.08Å; V325-S329 VanDerWaalsContact O-CB 3.23Å; V325-S329 WeakPolarHBondContact O-CB 3.32Å; V325-S329 PolarHBondContact O-N 2.8Å; V325-S329 VanDerWaalsContact O-N 3.1Å; V325-S329 PolarHBondContact O-OG 3.45Å
326I68.6Low75.2Confident31 Ų3168.7 Ų68.716%0.15932%0.317CS..Hα-helixtrans-64.2-44.4176.4-70161.1000111G28 F29 Q322 E324 T328 S329 Q330G28-I326 VanDerWaalsContact C-CD1 3.41Å; F29-I326 HydrophobicContact CD1-CD1 4.19Å; F29-I326 HydrophobicContact CD2-CD1 3.74Å; F29-I326 HydrophobicContact CD2-CG1 4.3Å; F29-I326 HydrophobicContact CE1-CD1 3.99Å; F29-I326 HydrophobicContact CE1-CG1 4.05Å; F29-I326 HydrophobicContact CE2-CD1 3.52Å; F29-I326 HydrophobicContact CE2-CG1 3.55Å; F29-I326 HydrophobicContact CG-CD1 4.07Å; F29-I326 HydrophobicContact CZ-CD1 3.65Å; F29-I326 HydrophobicContact CZ-CG1 3.41Å; F29-I326 VanDerWaalsContact CZ-CG1 3.41Å; Q322-I326 PolarHBondContact O-N 2.89Å; E324-I326 VanDerWaalsContact C-N 3.33Å; E324-I326 PolarHBondContact O-N 3.5Å; I326-T328 PolarHBondContact O-N 3.2Å; I326-S329 PolarHBondContact O-N 3.09Å; I326-S329 VanDerWaalsContact O-N 3.16Å; I326-Q330 PolarHBondContact O-N 3.21Å
327R66.1Low74.3Confident196 Ų19666.3 Ų66.374%0.7431%0.305SS*.Hα-helixtrans-61.2-31.1179-72.8178.7-178.7178.5-0113.4K323 E324K323-R327 WeakPolarHBondContact O-CG 3.23Å; E324-R327 PolarHBondContact O-N 2.73Å
328T62Low73.1Confident63 Ų6371.2 Ų71.239%0.38733%0.328SS..Hα-helixtrans-90.5-11179.947.10000113.6I188 E324 V325 I326I188-T328 HydrophobicContact CD1-CG2 4.09Å; E324-T328 PolarHBondContact O-N 3.31Å; E324-T328 PolarHBondContact O-OG1 2.83Å; V325-T328 WeakPolarHBondContact CA-OG1 3.43Å; V325-T328 PolarHBondContact O-N 2.86Å; V325-T328 PolarHBondContact O-OG1 2.63Å; V325-T328 VanDerWaalsContact O-OG1 3.08Å; I326-T328 PolarHBondContact O-N 3.2Å
329S55.8Low71.8Confident27 Ų2776.3 Ų76.319%0.18935%0.351CS..Hα-helixtrans-96.4-17-178.6-66.80000114R185 V325 I326R185-S329 PolarHBondContact NH1-O 2.88Å; V325-S329 VanDerWaalsContact O-CB 3.23Å; V325-S329 WeakPolarHBondContact O-CB 3.32Å; V325-S329 PolarHBondContact O-N 2.8Å; V325-S329 VanDerWaalsContact O-N 3.1Å; V325-S329 PolarHBondContact O-OG 3.45Å; I326-S329 PolarHBondContact O-N 3.09Å; I326-S329 VanDerWaalsContact O-N 3.16Å
330Q45.5Very low70.4Confident211 Ų21182.3 Ų82.399%0.98638%0.378SS*.  trans-85.60167.6-66.3-178.1-1.900109.2I326I326-Q330 PolarHBondContact O-N 3.21Å

Retrieved 330 of 330 residues in 294.6 ms (Link to these results)

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