A0A077ZFE9_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZFE9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 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
1M30.3Very low70.9Confident224 Ų224117.5 Ų117.5100%1.10358%0.583SS**  0132.10-64.2-159.2177.500108.3R3M1-R3 PolarHBondContact O-N 2.85Å; M1-R3 VanDerWaalsContact O-N 3.11Å
2P45.1Very low72.8Confident129 Ų129111.6 Ų111.684%0.83856%0.558SS**PPolyproline II helixtrans-58.2119.9168.126.5-30.4000106.3K4P2-K4 PolarHBondContact O-N 2.83Å; P2-K4 VanDerWaalsContact O-N 3.14Å
3R53.1Low74.5Confident186 Ų186110.3 Ų110.370%0.70255%0.553SS**PPolyproline II helixtrans-65.1119.5-175.5-72.7-175.6-177.1-1671.6107M1 I5M1-R3 PolarHBondContact O-N 2.85Å; M1-R3 VanDerWaalsContact O-N 3.11Å; R3-I5 PolarHBondContact O-N 3.06Å
4K57.1Low75.9Confident183 Ų183102.8 Ų102.880%0.79652%0.515SS*.PPolyproline II helixtrans-58.9130.6170.8-83.8-177.6173.1-179.30106.6P2P2-K4 PolarHBondContact O-N 2.83Å; P2-K4 VanDerWaalsContact O-N 3.14Å
5I70.5Confident77Confident58 Ų5899.7 Ų99.730%0.29751%0.507SS..  trans-104.6131.5169.6-53.3177.8000103.8R3 Q7 S31R3-I5 PolarHBondContact O-N 3.06Å; I5-Q7 PolarHBondContact O-N 3.05Å; I5-Q7 VanDerWaalsContact O-N 3.1Å; I5-S31 WeakPolarHBondContact CG2-OG 3.45Å
6V77.5Confident77.9Confident28 Ų28100.9 Ų100.917%0.1753%0.526CS..  trans-54.3120.6174.7163.80000108.9L8 S31 I48 E50 F85V6-L8 HydrophobicContact CG1-CD2 3.63Å; V6-L8 HydrophobicContact CG1-CG 3.89Å; V6-S31 PolarHBondContact O-OG 2.96Å; V6-I48 HydrophobicContact CB-CG2 4.4Å; V6-I48 HydrophobicContact CG1-CG2 4.02Å; V6-E50 HydrophobicContact CB-CG 4.37Å; V6-E50 HydrophobicContact CG2-CB 4.13Å; V6-E50 HydrophobicContact CG2-CG 3.59Å; V6-E50 PolarHBondContact N-OE1 3.17Å; V6-F85 HydrophobicContact CG1-CB 4.36Å; V6-F85 HydrophobicContact CG1-CD1 4.21Å; V6-F85 HydrophobicContact CG1-CG 4.39Å; V6-F85 HydrophobicContact CG2-CB 4.35Å
7Q84.2Confident78.9Confident141 Ų141101.8 Ų101.866%0.65952%0.521SS*.  trans-108114.5172.1-73.7-169.9-21.200108.8I5 Y33I5-Q7 PolarHBondContact O-N 3.05Å; I5-Q7 VanDerWaalsContact O-N 3.1Å; Q7-Y33 WeakPolarHBondContact CA-OH 3.32Å
8L89.3Confident79.9Confident24 Ų2496.2 Ų96.213%0.12649%0.492CS..PPolyproline II helixtrans-93.4143.3174.7-57.5179.5000109.1V6 L14 I20 Y33 I48 F85V6-L8 HydrophobicContact CG1-CD2 3.63Å; V6-L8 HydrophobicContact CG1-CG 3.89Å; L8-L14 HydrophobicContact CD1-CD2 4.05Å; L8-I20 HydrophobicContact CB-CD1 3.36Å; L8-I20 HydrophobicContact CD1-CD1 3.38Å; L8-I20 HydrophobicContact CG-CD1 4Å; L8-Y33 HydrophobicContact CB-CE2 4.37Å; L8-Y33 PolarHBondContact N-OH 3.27Å; L8-I48 HydrophobicContact CD1-CD1 4.05Å; L8-I48 HydrophobicContact CD1-CG1 4.05Å; L8-I48 HydrophobicContact CD1-CG2 4.26Å; L8-F85 HydrophobicContact CD1-CE2 4.15Å; L8-F85 HydrophobicContact CD1-CZ 4.08Å; L8-F85 HydrophobicContact CD2-CD1 4.23Å; L8-F85 HydrophobicContact CD2-CE1 3.79Å; L8-F85 HydrophobicContact CD2-CZ 4.12Å
9K90.9Very high80.8Confident172 Ų17297 Ų9775%0.74849%0.492SS*.PPolyproline II helixtrans-80.5150.6179-63.3-176.6-179.5-179.70110.5G11 T12K9-G11 PolarHBondContact O-N 2.94Å; K9-T12 PolarHBondContact N-OG1 3.42Å; K9-T12 VanDerWaalsContact O-CB 3.23Å; K9-T12 WeakPolarHBondContact O-CB 3.14Å; K9-T12 PolarHBondContact O-N 2.93Å; K9-T12 PolarHBondContact O-OG1 3.43Å
10D90.9Very high81.5Confident112 Ų11292.2 Ų92.260%0.59947%0.467SS*.THydrogen-bonded Turntrans-54.9137.6169.8-57.9-12.3000110.2T12D10-T12 VanDerWaalsContact C-N 3.33Å
11G91.6Very high82.2Confident36 Ų3690.3 Ų90.337%0.37146%0.46SS..THydrogen-bonded Turntrans86.1-8.1-174.100000115.9K9 L13 K19 I20K9-G11 PolarHBondContact O-N 2.94Å; G11-L13 PolarHBondContact O-N 2.83Å; G11-K19 VanDerWaalsContact CA-CE 3.48Å; G11-I20 PolarHBondContact N-O 2.9Å
12T93.7Very high85.2Confident46 Ų4683.9 Ų83.928%0.28243%0.43SS..  trans-57.2133.9170.9-57.40000110K9 D10 L14 K19 I20K9-T12 PolarHBondContact N-OG1 3.42Å; K9-T12 VanDerWaalsContact O-CB 3.23Å; K9-T12 WeakPolarHBondContact O-CB 3.14Å; K9-T12 PolarHBondContact O-N 2.93Å; K9-T12 PolarHBondContact O-OG1 3.43Å; D10-T12 VanDerWaalsContact C-N 3.33Å; T12-L14 HydrophobicContact CG2-CD2 4.37Å; T12-K19 WeakPolarHBondContact O-CA 3.45Å; T12-I20 PolarHBondContact O-N 3.06Å
13L94.3Very high87.5Confident95 Ų9579.4 Ų79.450%0.49740%0.402SS..EExtended strand (participates in β ladder)trans-105.3121.6-177.1-168.268.6000110.8G11 K19G11-L13 PolarHBondContact O-N 2.83Å; L13-K19 HydrophobicContact CD1-CB 4.13Å
14L94.7Very high89.3Confident5 Ų574.5 Ų74.53%0.02639%0.389CS..EExtended strand (participates in β ladder)trans-100.9137.5176.8-47.7176.1000109.9L8 T12 C16 R17 W18 I20 V35 A46 I48 F85 F87 I89L8-L14 HydrophobicContact CD1-CD2 4.05Å; T12-L14 HydrophobicContact CG2-CD2 4.37Å; L14-C16 PolarHBondContact O-N 2.87Å; L14-R17 PolarHBondContact O-N 3.25Å; L14-W18 HydrophobicContact CB-CB 4.19Å; L14-W18 PolarHBondContact N-O 2.89Å; L14-W18 PolarHBondContact O-N 3.01Å; L14-I20 HydrophobicContact CD1-CD1 4.34Å; L14-I20 HydrophobicContact CD1-CG1 4.35Å; L14-V35 HydrophobicContact CD1-CG1 4.5Å; L14-A46 HydrophobicContact CD1-CB 4.11Å; L14-I48 HydrophobicContact CD1-CD1 3.96Å; L14-F85 HydrophobicContact CD2-CE2 3.81Å; L14-F85 HydrophobicContact CD2-CZ 3.94Å; L14-F87 HydrophobicContact CB-CD2 4.24Å; L14-F87 HydrophobicContact CB-CE1 4.36Å; L14-F87 HydrophobicContact CB-CE2 3.93Å; L14-F87 HydrophobicContact CB-CZ 3.98Å; L14-F87 HydrophobicContact CD1-CB 4.42Å; L14-F87 HydrophobicContact CD1-CD2 4.24Å; L14-F87 HydrophobicContact CD1-CG 4.25Å; L14-I89 HydrophobicContact CD1-CD1 4.07Å
15S91.9Very high90.6Very high56 Ų5666.9 Ų66.939%0.39236%0.362SS..THydrogen-bonded Turntrans4931.5-176.4-70.30000114.3R17 D78 F87S15-R17 PolarHBondContact O-N 3.1Å; S15-D78 WeakPolarHBondContact CB-OD2 3.49Å; S15-D78 PolarHBondContact OG-OD2 3.14Å; S15-F87 WeakPolarHBondContact OG-CE2 3.41Å; S15-F87 WeakPolarHBondContact OG-CZ 3.38Å
16C91.5Very high91Very high120 Ų12070.3 Ų70.381%0.81137%0.372SS*.THydrogen-bonded Turntrans5319.6-173.8-59.90000114.5L14L14-C16 PolarHBondContact O-N 2.87Å
17R94.9Very high90.6Very high115 Ų11570.3 Ų70.343%0.43438%0.379SS..THydrogen-bonded Turntrans-136.2-46-171.5179178.1178.4-177.20.8113.1L14 S15 D37 G38L14-R17 PolarHBondContact O-N 3.25Å; S15-R17 PolarHBondContact O-N 3.1Å; R17-D37 HydrophobicContact CG-CB 4.46Å; R17-D37 CarbonylContact O-C 3.49Å; R17-D37 VanDerWaalsContact O-C 3.24Å; R17-D37 WeakPolarHBondContact O-CA 3.44Å; R17-G38 PolarHBondContact O-N 3.23Å
18W97.1Very high89.9Confident1 Ų167 Ų670%0.00438%0.382CS..EExtended strand (participates in β ladder)trans-99.4106-169.3-57.4103000110.4L14 V35 K36 D37 V42 A44 L77 D78 I89L14-W18 HydrophobicContact CB-CB 4.19Å; L14-W18 PolarHBondContact N-O 2.89Å; L14-W18 PolarHBondContact O-N 3.01Å; W18-V35 HydrophobicContact CB-CB 4.14Å; W18-V35 HydrophobicContact CB-CG1 4.48Å; W18-V35 HydrophobicContact CB-CG2 4.18Å; W18-V35 HydrophobicContact CD2-CG2 4.39Å; W18-V35 HydrophobicContact CE3-CG2 3.87Å; W18-K36 CarbonylContact C-O 3.59Å; W18-K36 WeakPolarHBondContact CA-O 3.43Å; W18-D37 HydrophobicContact CE3-CB 4.11Å; W18-D37 HydrophobicContact CH2-CB 4.37Å; W18-D37 HydrophobicContact CZ3-CB 3.84Å; W18-V42 HydrophobicContact CH2-CG1 4.23Å; W18-V42 HydrophobicContact CZ3-CB 4.49Å; W18-V42 HydrophobicContact CZ3-CG1 4.22Å; W18-A44 HydrophobicContact CE3-CB 4.28Å; W18-A44 HydrophobicContact CH2-CB 4.3Å; W18-A44 HydrophobicContact CZ3-CB 3.81Å; W18-L77 HydrophobicContact CH2-CD1 3.99Å; W18-L77 HydrophobicContact CZ2-CB 4.18Å; W18-L77 HydrophobicContact CZ2-CD1 4.45Å; W18-D78 PolarHBondContact NE1-OD2 2.92Å; W18-I89 HydrophobicContact CB-CD1 4.36Å; W18-I89 HydrophobicContact CD2-CG1 4.44Å; W18-I89 HydrophobicContact CD2-CG2 3.86Å; W18-I89 HydrophobicContact CE3-CG2 4.16Å; W18-I89 HydrophobicContact CG-CD1 4.25Å; W18-I89 HydrophobicContact CG-CG1 4.06Å; W18-I89 HydrophobicContact CG-CG2 4.32Å; W18-I89 HydrophobicContact CH2-CG2 4.27Å; W18-I89 HydrophobicContact CZ2-CG2 3.98Å; W18-I89 HydrophobicContact CZ3-CG2 4.36Å
19K96.6Very high89.2Confident112 Ų11271.8 Ų71.849%0.48740%0.399SS..EExtended strand (participates in β ladder)trans-85.7125.7178.4-172-180179.9-179.60109.6G11 T12 L13 V35 K36G11-K19 VanDerWaalsContact CA-CE 3.48Å; T12-K19 WeakPolarHBondContact O-CA 3.45Å; L13-K19 HydrophobicContact CD1-CB 4.13Å; K19-V35 CarbonylContact O-C 3.51Å; K19-V35 WeakPolarHBondContact O-CA 3.15Å; K19-V35 WeakPolarHBondContact O-CB 3.19Å; K19-K36 PolarHBondContact N-O 2.83Å; K19-K36 PolarHBondContact O-N 3.25Å
20I96Very high89Confident1 Ų164 Ų641%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-65.5131.4172.1-67.6-174.5000109.9L8 G11 T12 L14 Y33 V35L8-I20 HydrophobicContact CB-CD1 3.36Å; L8-I20 HydrophobicContact CD1-CD1 3.38Å; L8-I20 HydrophobicContact CG-CD1 4Å; G11-I20 PolarHBondContact N-O 2.9Å; T12-I20 PolarHBondContact O-N 3.06Å; L14-I20 HydrophobicContact CD1-CD1 4.34Å; L14-I20 HydrophobicContact CD1-CG1 4.35Å; I20-Y33 HydrophobicContact CD1-CD1 4.46Å; I20-Y33 HydrophobicContact CD1-CD2 4.26Å; I20-Y33 HydrophobicContact CD1-CG 4.19Å; I20-Y33 HydrophobicContact CG2-CD1 3.62Å; I20-Y33 HydrophobicContact CG2-CE1 4.23Å; I20-Y33 HydrophobicContact CG2-CG 4.1Å; I20-V35 HydrophobicContact CG1-CG1 3.92Å
21V94.9Very high89.1Confident53 Ų5358.7 Ų58.732%0.32134%0.338SS..EExtended strand (participates in β ladder)trans-111.4-49.9-178.8-179.50000111.2L34 K36V21-L34 HydrophobicContact CB-CD2 4.07Å; V21-L34 HydrophobicContact CB-CG 4.03Å; V21-L34 HydrophobicContact CG1-CD2 3.96Å; V21-L34 HydrophobicContact CG1-CG 4.48Å; V21-L34 HydrophobicContact CG2-CG 4.5Å; V21-L34 PolarHBondContact N-O 2.98Å; V21-K36 HydrophobicContact CG2-CB 4.1Å; V21-K36 HydrophobicContact CG2-CD 3.98Å; V21-K36 HydrophobicContact CG2-CG 3.83Å
22D94Very high89.2Confident89 Ų8959.3 Ų59.348%0.47633%0.332SS..EExtended strand (participates in β ladder)trans-156.9154-176-163.52.2000111.2Y33 L34D22-Y33 CarbonylContact O-C 3.31Å; D22-Y33 VanDerWaalsContact O-CA 3.25Å; D22-Y33 WeakPolarHBondContact O-CA 3.45Å; D22-Y33 WeakPolarHBondContact O-CD1 3.41Å; D22-L34 PolarHBondContact O-N 3.14Å
23S92.6Very high89.3Confident35 Ų3557.4 Ų57.425%0.24532%0.32CS..EExtended strand (participates in β ladder)trans-82116171.3169.30000109.9Y26S23-Y26 PolarHBondContact OG-OH 3.26Å
24I90.7Very high89.4Confident82 Ų8254.1 Ų54.142%0.42130%0.302SS..EExtended strand (participates in β ladder)trans-103.8-6.8-177.663.4175.7000113.8I32 L34 L92I24-I32 HydrophobicContact CD1-CG2 3.84Å; I24-I32 HydrophobicContact CG1-CB 4.2Å; I24-I32 HydrophobicContact CG1-CG2 3.66Å; I24-I32 WeakPolarHBondContact CG1-O 3.39Å; I24-I32 PolarHBondContact N-O 2.88Å; I24-L34 HydrophobicContact CG2-CB 3.75Å; I24-L92 HydrophobicContact CD1-CD1 3.68Å
25G84.5Confident89.5Confident23 Ų2353.9 Ų53.924%0.23730%0.301CS..EExtended strand (participates in β ladder)trans174.4170.1173.400000114.4I32G25-I32 PolarHBondContact N-O 3.36Å; G25-I32 VanDerWaalsContact N-O 3.16Å; G25-I32 PolarHBondContact O-N 3.45Å
26Y79.1Confident89.7Confident130 Ų13054.4 Ų54.451%0.5130%0.296SS..EExtended strand (participates in β ladder)trans-128.2124.2175-58.5-84.5000108.9S23S23-Y26 PolarHBondContact OG-OH 3.26Å
27G69.4Low89.9Confident29 Ų2949.3 Ų49.330%0.29926%0.261SS..  trans-86.6176.4165.100000111.1Y29 C30G27-Y29 PolarHBondContact O-N 3.5Å; G27-C30 PolarHBondContact N-O 3.02Å
28G69.2Low89.4Confident70 Ų7046.8 Ų46.872%0.72227%0.271SS*.SBendtrans-62.1-25179.400000114.6
29Y75.8Confident88.7Confident126 Ų12655.1 Ų55.149%0.49431%0.308SS..SBendtrans-137.25.1-179.9-56.7-68.5000113.6G27G27-Y29 PolarHBondContact O-N 3.5Å
30C86.4Confident88Confident7 Ų751.9 Ų51.95%0.04731%0.306CS..  trans-135.4147.6-173.2-55.30000111.3G27 K47 I48G27-C30 PolarHBondContact N-O 3.02Å; C30-K47 HydrophobicContact CB-CG 3.82Å; C30-I48 CarbonylContact C-O 3.54Å; C30-I48 WeakPolarHBondContact CA-O 3.5Å; C30-I48 VanDerWaalsContact CB-O 3.22Å; C30-I48 WeakPolarHBondContact CB-O 3.23Å
31S91.4Very high87.5Confident1 Ų160.6 Ų60.61%0.00734%0.344CS..EExtended strand (participates in β ladder)trans-93.5144.1162.1-640000109.2I5 V6 K47 I48I5-S31 WeakPolarHBondContact CG2-OG 3.45Å; V6-S31 PolarHBondContact O-OG 2.96Å; S31-K47 WeakPolarHBondContact O-CA 3.07Å; S31-I48 PolarHBondContact N-O 2.78Å; S31-I48 PolarHBondContact O-N 2.82Å
32I93.8Very high87.5Confident50 Ų5061 Ų6126%0.25635%0.346SS..EExtended strand (participates in β ladder)trans-118.5126.6175.1-50-168.9000109.1I24 G25 A46 K47I24-I32 HydrophobicContact CD1-CG2 3.84Å; I24-I32 HydrophobicContact CG1-CB 4.2Å; I24-I32 HydrophobicContact CG1-CG2 3.66Å; I24-I32 WeakPolarHBondContact CG1-O 3.39Å; I24-I32 PolarHBondContact N-O 2.88Å; G25-I32 PolarHBondContact N-O 3.36Å; G25-I32 VanDerWaalsContact N-O 3.16Å; G25-I32 PolarHBondContact O-N 3.45Å; I32-A46 CarbonylContact C-O 3.46Å; I32-A46 VanDerWaalsContact CA-O 3.31Å; I32-A46 WeakPolarHBondContact CA-O 3.49Å; I32-K47 HydrophobicContact CG1-CG 4.36Å
33Y95.9Very high87.6Confident5 Ų559.7 Ų59.72%0.0234%0.337CS..EExtended strand (participates in β ladder)trans-120.7147.8-179-65.1-86.6000111.7Q7 L8 I20 D22 A45 A46 I48Q7-Y33 WeakPolarHBondContact CA-OH 3.32Å; L8-Y33 HydrophobicContact CB-CE2 4.37Å; L8-Y33 PolarHBondContact N-OH 3.27Å; I20-Y33 HydrophobicContact CD1-CD1 4.46Å; I20-Y33 HydrophobicContact CD1-CD2 4.26Å; I20-Y33 HydrophobicContact CD1-CG 4.19Å; I20-Y33 HydrophobicContact CG2-CD1 3.62Å; I20-Y33 HydrophobicContact CG2-CE1 4.23Å; I20-Y33 HydrophobicContact CG2-CG 4.1Å; D22-Y33 CarbonylContact O-C 3.31Å; D22-Y33 VanDerWaalsContact O-CA 3.25Å; D22-Y33 WeakPolarHBondContact O-CA 3.45Å; D22-Y33 WeakPolarHBondContact O-CD1 3.41Å; Y33-A45 CarbonylContact O-C 3.55Å; Y33-A45 WeakPolarHBondContact O-CA 3.42Å; Y33-A46 PolarHBondContact N-O 3.36Å; Y33-A46 PolarHBondContact O-N 3.18Å; Y33-I48 HydrophobicContact CD2-CG1 3.74Å; Y33-I48 HydrophobicContact CE2-CG1 3.9Å
34L96.2Very high87.8Confident26 Ų2658 Ų5814%0.13633%0.326CS..EExtended strand (participates in β ladder)trans-73.7129.7156.4169.965.7000108.2V21 D22 I24 E43 L92V21-L34 HydrophobicContact CB-CD2 4.07Å; V21-L34 HydrophobicContact CB-CG 4.03Å; V21-L34 HydrophobicContact CG1-CD2 3.96Å; V21-L34 HydrophobicContact CG1-CG 4.48Å; V21-L34 HydrophobicContact CG2-CG 4.5Å; V21-L34 PolarHBondContact N-O 2.98Å; D22-L34 PolarHBondContact O-N 3.14Å; I24-L34 HydrophobicContact CG2-CB 3.75Å; L34-E43 HydrophobicContact CD1-CB 3.99Å; L34-E43 HydrophobicContact CD1-CG 4.12Å; L34-L92 HydrophobicContact CD1-CD2 3.46Å; L34-L92 VanDerWaalsContact CD1-CD2 3.46Å
35V97.4Very high88.1Confident0 Ų054.4 Ų54.40%031%0.308CS..EExtended strand (participates in β ladder)trans-123.2153.3171.4-63.80000111.1L14 W18 K19 I20 E43 A44 A46 I89L14-V35 HydrophobicContact CD1-CG1 4.5Å; W18-V35 HydrophobicContact CB-CB 4.14Å; W18-V35 HydrophobicContact CB-CG1 4.48Å; W18-V35 HydrophobicContact CB-CG2 4.18Å; W18-V35 HydrophobicContact CD2-CG2 4.39Å; W18-V35 HydrophobicContact CE3-CG2 3.87Å; K19-V35 CarbonylContact O-C 3.51Å; K19-V35 WeakPolarHBondContact O-CA 3.15Å; K19-V35 WeakPolarHBondContact O-CB 3.19Å; I20-V35 HydrophobicContact CG1-CG1 3.92Å; V35-E43 WeakPolarHBondContact O-CA 3.32Å; V35-A44 HydrophobicContact CG2-CB 3.77Å; V35-A44 WeakPolarHBondContact CG2-O 3.31Å; V35-A44 PolarHBondContact N-O 3.16Å; V35-A44 PolarHBondContact O-N 2.91Å; V35-A46 HydrophobicContact CG1-CB 3.51Å; V35-A46 HydrophobicContact CG2-CB 4.22Å; V35-I89 HydrophobicContact CG2-CD1 4.39Å; V35-I89 HydrophobicContact CG2-CG2 4.21Å
36K97.1Very high88.6Confident67 Ų6753.3 Ų53.329%0.29130%0.297SS..EExtended strand (participates in β ladder)trans-118.1144.4169.6-75.8179.9-178.7-167.10110.4W18 K19 V21 V42 E43W18-K36 CarbonylContact C-O 3.59Å; W18-K36 WeakPolarHBondContact CA-O 3.43Å; K19-K36 PolarHBondContact N-O 2.83Å; K19-K36 PolarHBondContact O-N 3.25Å; V21-K36 HydrophobicContact CG2-CB 4.1Å; V21-K36 HydrophobicContact CG2-CD 3.98Å; V21-K36 HydrophobicContact CG2-CG 3.83Å; K36-V42 CarbonylContact C-O 3.53Å; K36-V42 VanDerWaalsContact CA-O 3.29Å; K36-V42 WeakPolarHBondContact CA-O 3.31Å; K36-E43 HydrophobicContact CD-CG 4.38Å; K36-E43 WeakPolarHBondContact CE-OE1 3.47Å; K36-E43 HydrophobicContact CG-CG 3.91Å; K36-E43 IonicContact NZ-OE1 2.88Å; K36-E43 PolarHBondContact NZ-OE1 3Å
37D94.6Very high89.4Confident13 Ų1347.9 Ų47.97%0.0728%0.276CS..  trans-65.3168.5171.177.4-23.7000111.8R17 W18 F39 G40 K41 V42R17-D37 HydrophobicContact CG-CB 4.46Å; R17-D37 CarbonylContact O-C 3.49Å; R17-D37 VanDerWaalsContact O-C 3.24Å; R17-D37 WeakPolarHBondContact O-CA 3.44Å; W18-D37 HydrophobicContact CE3-CB 4.11Å; W18-D37 HydrophobicContact CH2-CB 4.37Å; W18-D37 HydrophobicContact CZ3-CB 3.84Å; D37-F39 PolarHBondContact O-N 3.1Å; D37-G40 WeakPolarHBondContact O-CA 3.45Å; D37-G40 PolarHBondContact O-N 3.24Å; D37-G40 PolarHBondContact OD1-N 3.07Å; D37-K41 PolarHBondContact OD1-N 3.41Å; D37-V42 HydrophobicContact CB-CB 4.15Å; D37-V42 PolarHBondContact N-O 2.81Å; D37-V42 PolarHBondContact OD1-N 2.86Å
38G84.1Confident90.6Very high62 Ų6246.6 Ų46.664%0.63926%0.262SS*.THydrogen-bonded Turntrans-60.3-21.6-17400000114.3R17R17-G38 PolarHBondContact O-N 3.23Å
39F82.6Confident91.8Very high177 Ų17743.3 Ų43.378%0.77623%0.228SC*.THydrogen-bonded Turntrans-92.1-5.6175.2-58-71.9000113.5D37 K41D37-F39 PolarHBondContact O-N 3.1Å; F39-K41 HydrophobicContact CB-CG 4.26Å; F39-K41 PolarHBondContact O-N 3.04Å
40G81.6Confident92.5Very high44 Ų4439.3 Ų39.345%0.45421%0.214SC..SBendtrans71.711.6-178.400000114.8D37D37-G40 WeakPolarHBondContact O-CA 3.45Å; D37-G40 PolarHBondContact O-N 3.24Å; D37-G40 PolarHBondContact OD1-N 3.07Å
41K87Confident92.7Very high183 Ų18340 Ų4080%0.79622%0.22SC*.  trans-92.6-31.8-173.6-69-172.5178.8-177.30112.9D37 F39D37-K41 PolarHBondContact OD1-N 3.41Å; F39-K41 HydrophobicContact CB-CG 4.26Å; F39-K41 PolarHBondContact O-N 3.04Å
42V93.2Very high92.6Very high61 Ų6145.9 Ų45.937%0.3726%0.256SS..  trans-109.3121.1-176.6-177.20000109.3W18 K36 D37W18-V42 HydrophobicContact CH2-CG1 4.23Å; W18-V42 HydrophobicContact CZ3-CB 4.49Å; W18-V42 HydrophobicContact CZ3-CG1 4.22Å; K36-V42 CarbonylContact C-O 3.53Å; K36-V42 VanDerWaalsContact CA-O 3.29Å; K36-V42 WeakPolarHBondContact CA-O 3.31Å; D37-V42 HydrophobicContact CB-CB 4.15Å; D37-V42 PolarHBondContact N-O 2.81Å; D37-V42 PolarHBondContact OD1-N 2.86Å
43E96Very high92.2Very high63 Ų6345.4 Ų45.429%0.29426%0.255SS..EExtended strand (participates in β ladder)trans-93.1137.2169.3-71.4-177.7164.500110.6L34 V35 K36 L92 R147L34-E43 HydrophobicContact CD1-CB 3.99Å; L34-E43 HydrophobicContact CD1-CG 4.12Å; V35-E43 WeakPolarHBondContact O-CA 3.32Å; K36-E43 HydrophobicContact CD-CG 4.38Å; K36-E43 WeakPolarHBondContact CE-OE1 3.47Å; K36-E43 HydrophobicContact CG-CG 3.91Å; K36-E43 IonicContact NZ-OE1 2.88Å; K36-E43 PolarHBondContact NZ-OE1 3Å; E43-L92 HydrophobicContact CB-CD2 4.42Å; E43-R147 IonicContact OE2-CZ 3.29Å; E43-R147 IonicContact OE2-NH1 3.36Å; E43-R147 PolarHBondContact OE2-NH1 3.21Å; E43-R147 VanDerWaalsContact OE2-NH1 3.15Å; E43-R147 IonicContact OE2-NH2 3.26Å; E43-R147 PolarHBondContact OE2-NH2 3.47Å
44A97.1Very high91.8Very high0 Ų053.2 Ų53.20%029%0.289CS..EExtended strand (participates in β ladder)trans-143.1166.4179.600000111.1W18 V35 L77 I89 M90W18-A44 HydrophobicContact CE3-CB 4.28Å; W18-A44 HydrophobicContact CH2-CB 4.3Å; W18-A44 HydrophobicContact CZ3-CB 3.81Å; V35-A44 HydrophobicContact CG2-CB 3.77Å; V35-A44 WeakPolarHBondContact CG2-O 3.31Å; V35-A44 PolarHBondContact N-O 3.16Å; V35-A44 PolarHBondContact O-N 2.91Å; A44-L77 HydrophobicContact CB-CD1 3.64Å; A44-I89 HydrophobicContact CB-CG2 3.67Å; A44-M90 WeakPolarHBondContact CB-O 3.16Å
45A96.9Very high91.5Very high6 Ų654.7 Ų54.75%0.0530%0.3CS..EExtended strand (participates in β ladder)trans-96.9131.8170.400000109.8Y33 I89 M90 L92Y33-A45 CarbonylContact O-C 3.55Å; Y33-A45 WeakPolarHBondContact O-CA 3.42Å; A45-I89 WeakPolarHBondContact O-CA 3.41Å; A45-M90 HydrophobicContact CB-CG 4.13Å; A45-M90 PolarHBondContact N-O 3.38Å; A45-M90 PolarHBondContact O-N 3.43Å; A45-L92 HydrophobicContact CB-CD1 3.8Å
46A96.7Very high91.2Very high0 Ų056.3 Ų56.30%031%0.31CS..EExtended strand (participates in β ladder)trans-108.5117.8170.600000110.1L14 I32 Y33 V35 I48 L88 I89L14-A46 HydrophobicContact CD1-CB 4.11Å; I32-A46 CarbonylContact C-O 3.46Å; I32-A46 VanDerWaalsContact CA-O 3.31Å; I32-A46 WeakPolarHBondContact CA-O 3.49Å; Y33-A46 PolarHBondContact N-O 3.36Å; Y33-A46 PolarHBondContact O-N 3.18Å; V35-A46 HydrophobicContact CG1-CB 3.51Å; V35-A46 HydrophobicContact CG2-CB 4.22Å; A46-I48 HydrophobicContact CB-CD1 4.2Å; A46-L88 CarbonylContact C-O 3.59Å; A46-L88 WeakPolarHBondContact CA-O 3.44Å; A46-I89 HydrophobicContact CB-CD1 3.49Å; A46-I89 VanDerWaalsContact CB-CD1 3.49Å
47K95.4Very high91Very high16 Ų1653.1 Ų53.17%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-98.4124.4172.2-166.7178-178.5-176.70108.6C30 S31 I32 L57 E60 F87 L88 D159C30-K47 HydrophobicContact CB-CG 3.82Å; S31-K47 WeakPolarHBondContact O-CA 3.07Å; I32-K47 HydrophobicContact CG1-CG 4.36Å; K47-L57 HydrophobicContact CB-CD2 4.2Å; K47-L57 HydrophobicContact CD-CD2 3.61Å; K47-L57 HydrophobicContact CG-CD2 3.82Å; K47-L57 VanDerWaalsContact O-CD1 3.27Å; K47-L57 WeakPolarHBondContact O-CD1 3.39Å; K47-E60 VanDerWaalsContact NZ-CD 3.33Å; K47-E60 IonicContact NZ-OE1 3.39Å; K47-E60 PolarHBondContact NZ-OE1 2.64Å; K47-E60 VanDerWaalsContact NZ-OE1 3.14Å; K47-E60 IonicContact NZ-OE2 3.9Å; K47-E60 PolarHBondContact NZ-OE2 3.07Å; K47-F87 CarbonylContact O-C 3.51Å; K47-F87 VanDerWaalsContact O-CA 3.27Å; K47-F87 WeakPolarHBondContact O-CA 3.47Å; K47-L88 HydrophobicContact CB-CB 4.47Å; K47-L88 PolarHBondContact N-O 2.9Å; K47-L88 PolarHBondContact O-N 2.86Å; K47-D159 IonicContact NZ-OD1 3.1Å; K47-D159 PolarHBondContact NZ-OD1 2.8Å
48I94.7Very high91Very high1 Ų158 Ų581%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-117.1130.4-173-46.7-62.1000109.7V6 L8 L14 C30 S31 Y33 A46 F85 R86 F87V6-I48 HydrophobicContact CB-CG2 4.4Å; V6-I48 HydrophobicContact CG1-CG2 4.02Å; L8-I48 HydrophobicContact CD1-CD1 4.05Å; L8-I48 HydrophobicContact CD1-CG1 4.05Å; L8-I48 HydrophobicContact CD1-CG2 4.26Å; L14-I48 HydrophobicContact CD1-CD1 3.96Å; C30-I48 CarbonylContact C-O 3.54Å; C30-I48 WeakPolarHBondContact CA-O 3.5Å; C30-I48 VanDerWaalsContact CB-O 3.22Å; C30-I48 WeakPolarHBondContact CB-O 3.23Å; S31-I48 PolarHBondContact N-O 2.78Å; S31-I48 PolarHBondContact O-N 2.82Å; Y33-I48 HydrophobicContact CD2-CG1 3.74Å; Y33-I48 HydrophobicContact CE2-CG1 3.9Å; A46-I48 HydrophobicContact CB-CD1 4.2Å; I48-F85 HydrophobicContact CG2-CB 3.9Å; I48-F85 HydrophobicContact CG2-CD2 3.78Å; I48-F85 HydrophobicContact CG2-CG 3.98Å; I48-R86 WeakPolarHBondContact CA-O 3.38Å; I48-F87 HydrophobicContact CD1-CB 3.34Å; I48-F87 HydrophobicContact CD1-CG 4.47Å
49E93.1Very high91.5Very high1 Ų158 Ų581%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-124.6145.5170.176.3-178.5175.700110.6P55 T56 L57 F85 R86E49-P55 WeakPolarHBondContact OE1-CA 3.28Å; E49-T56 PolarHBondContact OE1-N 3.14Å; E49-T56 VanDerWaalsContact OE1-N 3.14Å; E49-T56 PolarHBondContact OE2-N 2.92Å; E49-T56 PolarHBondContact OE2-OG1 2.8Å; E49-L57 HydrophobicContact CB-CD1 4.07Å; E49-L57 HydrophobicContact CB-CG 4.16Å; E49-L57 VanDerWaalsContact CD-CG 3.48Å; E49-L57 HydrophobicContact CG-CB 4.32Å; E49-L57 HydrophobicContact CG-CD1 3.69Å; E49-L57 HydrophobicContact CG-CG 3.73Å; E49-L57 WeakPolarHBondContact OE1-CB 3.36Å; E49-L57 PolarHBondContact OE1-N 3.42Å; E49-L57 VanDerWaalsContact OE1-N 3.11Å; E49-L57 PolarHBondContact OE2-N 2.85Å; E49-F85 CarbonylContact O-C 3.46Å; E49-F85 VanDerWaalsContact O-CA 3.23Å; E49-F85 WeakPolarHBondContact O-CA 3.22Å; E49-F85 VanDerWaalsContact O-CB 3.27Å; E49-F85 WeakPolarHBondContact O-CB 3.5Å; E49-R86 HydrophobicContact CG-CB 3.96Å; E49-R86 PolarHBondContact N-O 3.12Å; E49-R86 PolarHBondContact O-N 2.68Å; E49-R86 WeakPolarHBondContact OE1-CD 3.5Å
50E91.8Very high92.1Very high43 Ų4349.7 Ų49.720%0.20128%0.276CS..EExtended strand (participates in β ladder)trans-65.7144.8177-38.9-159.3144.800111.2V6 T52 V53V6-E50 HydrophobicContact CB-CG 4.37Å; V6-E50 HydrophobicContact CG2-CB 4.13Å; V6-E50 HydrophobicContact CG2-CG 3.59Å; V6-E50 PolarHBondContact N-OE1 3.17Å; E50-T52 PolarHBondContact O-N 2.85Å; E50-T52 PolarHBondContact OE2-OG1 2.84Å; E50-V53 HydrophobicContact CB-CG2 4.08Å; E50-V53 HydrophobicContact CG-CG2 4.36Å; E50-V53 PolarHBondContact O-N 3.41Å; E50-V53 VanDerWaalsContact O-N 3.08Å
51A90.5Very high92.8Very high21 Ų2148.2 Ų48.217%0.17426%0.259CS..THydrogen-bonded Turntrans-62.6-28.2-178.900000112.7V53 Q84 R86A51-V53 VanDerWaalsContact C-N 3.33Å; A51-Q84 WeakPolarHBondContact CB-O 3.47Å; A51-Q84 PolarHBondContact N-O 3.11Å; A51-R86 PolarHBondContact O-NH1 2.71Å; A51-R86 PolarHBondContact O-NH2 2.84Å; A51-R86 VanDerWaalsContact O-NH2 3.1Å
52T88.7Confident93.3Very high125 Ų12540.9 Ų40.977%0.76723%0.234SC*.THydrogen-bonded Turntrans-74.7-19.7178.961.70000113.4E50E50-T52 PolarHBondContact O-N 2.85Å; E50-T52 PolarHBondContact OE2-OG1 2.84Å
53V85.8Confident93.5Very high39 Ų3938 Ų3824%0.23622%0.217CC..SBendtrans-79150.9176.4179.50000108.9E50 A51 R86E50-V53 HydrophobicContact CB-CG2 4.08Å; E50-V53 HydrophobicContact CG-CG2 4.36Å; E50-V53 PolarHBondContact O-N 3.41Å; E50-V53 VanDerWaalsContact O-N 3.08Å; A51-V53 VanDerWaalsContact C-N 3.33Å; V53-R86 PolarHBondContact O-NH1 2.97Å
54K87.2Confident93.6Very high169 Ų16935.4 Ų35.474%0.73521%0.205SC*.  trans-50.1130.1173.1-179.6179.8178.4176.30109.3T56K54-T56 PolarHBondContact O-N 2.97Å
55P89.2Confident93.6Very high58 Ų5839.8 Ų39.838%0.37723%0.228SC..  trans-70.988.3-170.628.2-36.4000111.5E49 Q58E49-P55 WeakPolarHBondContact OE1-CA 3.28Å; P55-Q58 HydrophobicContact CB-CB 4.49Å
56T91.9Very high93.6Very high34 Ų3443 Ų4321%0.20924%0.241CC..Hα-helixtrans-85.9-32.8179.658.20000111.3E49 K54 Q58 A59 E60E49-T56 PolarHBondContact OE1-N 3.14Å; E49-T56 VanDerWaalsContact OE1-N 3.14Å; E49-T56 PolarHBondContact OE2-N 2.92Å; E49-T56 PolarHBondContact OE2-OG1 2.8Å; K54-T56 PolarHBondContact O-N 2.97Å; T56-Q58 VanDerWaalsContact C-N 3.34Å; T56-Q58 PolarHBondContact O-N 3.04Å; T56-A59 WeakPolarHBondContact O-CB 3.5Å; T56-A59 PolarHBondContact O-N 3.08Å; T56-E60 PolarHBondContact O-N 2.62Å
57L93.7Very high93.6Very high0 Ų043.3 Ų43.30%024%0.243CC..Hα-helixtrans-63.4-38.5178.5-69.8-173.5000112.5K47 E49 A59 E60 V61 Y79 R86 L88K47-L57 HydrophobicContact CB-CD2 4.2Å; K47-L57 HydrophobicContact CD-CD2 3.61Å; K47-L57 HydrophobicContact CG-CD2 3.82Å; K47-L57 VanDerWaalsContact O-CD1 3.27Å; K47-L57 WeakPolarHBondContact O-CD1 3.39Å; E49-L57 HydrophobicContact CB-CD1 4.07Å; E49-L57 HydrophobicContact CB-CG 4.16Å; E49-L57 VanDerWaalsContact CD-CG 3.48Å; E49-L57 HydrophobicContact CG-CB 4.32Å; E49-L57 HydrophobicContact CG-CD1 3.69Å; E49-L57 HydrophobicContact CG-CG 3.73Å; E49-L57 WeakPolarHBondContact OE1-CB 3.36Å; E49-L57 PolarHBondContact OE1-N 3.42Å; E49-L57 VanDerWaalsContact OE1-N 3.11Å; E49-L57 PolarHBondContact OE2-N 2.85Å; L57-A59 VanDerWaalsContact C-N 3.28Å; L57-A59 PolarHBondContact O-N 3.19Å; L57-E60 WeakPolarHBondContact O-CB 3.45Å; L57-E60 PolarHBondContact O-N 3.41Å; L57-E60 VanDerWaalsContact O-N 3.16Å; L57-V61 VanDerWaalsContact O-CG2 3.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.27Å; L57-V61 PolarHBondContact O-N 3.44Å; L57-Y79 HydrophobicContact CB-CE2 4.33Å; L57-R86 HydrophobicContact CD1-CB 4.3Å; L57-L88 HydrophobicContact CD1-CB 4.37Å; L57-L88 HydrophobicContact CD2-CB 4.24Å; L57-L88 HydrophobicContact CD2-CD2 4.47Å
58Q93.9Very high93.6Very high115 Ų11550.9 Ų50.954%0.53728%0.275SS..Hα-helixtrans-63.2-37.1177.6-166.2-177.51400111.9P55 T56 G62P55-Q58 HydrophobicContact CB-CB 4.49Å; T56-Q58 VanDerWaalsContact C-N 3.34Å; T56-Q58 PolarHBondContact O-N 3.04Å; Q58-G62 PolarHBondContact O-N 3.3Å; Q58-G62 VanDerWaalsContact O-N 3.14Å
59A93.7Very high93.6Very high62 Ų6254.7 Ų54.751%0.51232%0.315SS..Hα-helixtrans-69-39.4174.700000111.6T56 L57 G62 I63T56-A59 WeakPolarHBondContact O-CB 3.5Å; T56-A59 PolarHBondContact O-N 3.08Å; L57-A59 VanDerWaalsContact C-N 3.28Å; L57-A59 PolarHBondContact O-N 3.19Å; A59-G62 PolarHBondContact O-N 3.01Å; A59-I63 WeakPolarHBondContact O-CG1 3.27Å; A59-I63 PolarHBondContact O-N 3.38Å; A59-I63 VanDerWaalsContact O-N 3.14Å
60E96Very high93.8Very high2 Ų255.7 Ų55.71%0.00932%0.323CS..Hα-helixtrans-63.8-44.1175.5177.5158.8-153.600112.1K47 T56 L57 G62 I63 L64 L88 D159 F160K47-E60 VanDerWaalsContact NZ-CD 3.33Å; K47-E60 IonicContact NZ-OE1 3.39Å; K47-E60 PolarHBondContact NZ-OE1 2.64Å; K47-E60 VanDerWaalsContact NZ-OE1 3.14Å; K47-E60 IonicContact NZ-OE2 3.9Å; K47-E60 PolarHBondContact NZ-OE2 3.07Å; T56-E60 PolarHBondContact O-N 2.62Å; L57-E60 WeakPolarHBondContact O-CB 3.45Å; L57-E60 PolarHBondContact O-N 3.41Å; L57-E60 VanDerWaalsContact O-N 3.16Å; E60-G62 VanDerWaalsContact C-N 3.29Å; E60-G62 PolarHBondContact O-N 3.28Å; E60-I63 WeakPolarHBondContact O-CA 3.42Å; E60-I63 WeakPolarHBondContact O-CB 3.27Å; E60-I63 PolarHBondContact O-N 2.9Å; E60-L64 HydrophobicContact CG-CD1 4.16Å; E60-L64 WeakPolarHBondContact O-CG 3.45Å; E60-L64 PolarHBondContact O-N 3Å; E60-L88 HydrophobicContact CG-CD2 3.96Å; E60-D159 WeakPolarHBondContact OE1-CA 3.46Å; E60-F160 HydrophobicContact CB-CB 4.39Å; E60-F160 HydrophobicContact CG-CB 3.98Å; E60-F160 HydrophobicContact CG-CD2 4.13Å; E60-F160 PolarHBondContact OE1-N 3.3Å
61V96.8Very high94.1Very high14 Ų1460 Ų609%0.08534%0.338CS..Hα-helixtrans-55.5-45.91711710000110.6L57 I63 L64 L65 Y76 Y79 L88L57-V61 VanDerWaalsContact O-CG2 3.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.27Å; L57-V61 PolarHBondContact O-N 3.44Å; V61-I63 PolarHBondContact O-N 3.12Å; V61-L64 PolarHBondContact O-N 3.08Å; V61-L65 HydrophobicContact CG1-CD1 3.79Å; V61-L65 HydrophobicContact CG1-CG 4.18Å; V61-L65 WeakPolarHBondContact O-CB 3.49Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.32Å; V61-L65 PolarHBondContact O-N 3Å; V61-Y76 HydrophobicContact CG1-CD2 4.39Å; V61-Y76 HydrophobicContact CG1-CE2 3.95Å; V61-Y76 HydrophobicContact CG2-CE2 4.24Å; V61-Y79 HydrophobicContact CG2-CD2 3.59Å; V61-Y79 HydrophobicContact CG2-CE2 4.3Å; V61-Y79 HydrophobicContact CG2-CG 4.05Å; V61-L88 HydrophobicContact CG2-CD1 3.91Å
62G96.6Very high94.4Very high28 Ų2859.1 Ų59.129%0.28933%0.33SS..Hα-helixtrans-63-24.3177.500000114.4Q58 A59 E60 K66Q58-G62 PolarHBondContact O-N 3.3Å; Q58-G62 VanDerWaalsContact O-N 3.14Å; A59-G62 PolarHBondContact O-N 3.01Å; E60-G62 VanDerWaalsContact C-N 3.29Å; E60-G62 PolarHBondContact O-N 3.28Å; G62-K66 WeakPolarHBondContact O-CD 3.31Å; G62-K66 VanDerWaalsContact O-CG 3.31Å; G62-K66 WeakPolarHBondContact O-CG 3.24Å
63I97.5Very high94.9Very high2 Ų254 Ų541%0.0130%0.299CS..Hα-helixtrans-80.8-50.1172.7-70.3168.5000109.9A59 E60 V61 L65 K66 L67 L128 I131 F133 F160 A163A59-I63 WeakPolarHBondContact O-CG1 3.27Å; A59-I63 PolarHBondContact O-N 3.38Å; A59-I63 VanDerWaalsContact O-N 3.14Å; E60-I63 WeakPolarHBondContact O-CA 3.42Å; E60-I63 WeakPolarHBondContact O-CB 3.27Å; E60-I63 PolarHBondContact O-N 2.9Å; V61-I63 PolarHBondContact O-N 3.12Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 3.35Å; I63-K66 WeakPolarHBondContact O-CA 3.03Å; I63-K66 WeakPolarHBondContact O-CB 3.33Å; I63-K66 PolarHBondContact O-N 2.86Å; I63-L67 HydrophobicContact CG2-CD1 3.67Å; I63-L67 HydrophobicContact CG2-CG 4.38Å; I63-L67 WeakPolarHBondContact O-CG 3.23Å; I63-L67 PolarHBondContact O-N 3.14Å; I63-L128 HydrophobicContact CG2-CD1 3.75Å; I63-I131 HydrophobicContact CG2-CD1 4.07Å; I63-F133 HydrophobicContact CD1-CD1 3.63Å; I63-F133 HydrophobicContact CD1-CE1 3.71Å; I63-F133 HydrophobicContact CD1-CG 4.15Å; I63-F133 HydrophobicContact CD1-CZ 4.28Å; I63-F133 HydrophobicContact CG1-CD1 3.9Å; I63-F133 HydrophobicContact CG1-CD2 4.2Å; I63-F133 HydrophobicContact CG1-CE1 3.71Å; I63-F133 HydrophobicContact CG1-CE2 4.01Å; I63-F133 HydrophobicContact CG1-CG 4.12Å; I63-F133 HydrophobicContact CG1-CZ 3.74Å; I63-F160 HydrophobicContact CD1-CB 3.95Å; I63-F160 HydrophobicContact CG2-CB 4.23Å; I63-F160 HydrophobicContact CG2-CD1 3.89Å; I63-F160 HydrophobicContact CG2-CD2 4.26Å; I63-F160 HydrophobicContact CG2-CE1 4.33Å; I63-F160 HydrophobicContact CG2-CG 3.85Å; I63-A163 HydrophobicContact CD1-CB 3.52Å
64L97.9Very high95.4Very high7 Ų752.5 Ų52.54%0.03729%0.289CS..Hα-helixtrans-56.4-44.5179.7-74.5170000112.3E60 V61 K66 L67 K68 V73 L88 F160E60-L64 HydrophobicContact CG-CD1 4.16Å; E60-L64 WeakPolarHBondContact O-CG 3.45Å; E60-L64 PolarHBondContact O-N 3Å; V61-L64 PolarHBondContact O-N 3.08Å; L64-K66 PolarHBondContact O-N 3.02Å; L64-L67 CarbonylContact O-C 3.56Å; L64-L67 PolarHBondContact O-N 2.89Å; L64-L67 VanDerWaalsContact O-N 3.08Å; L64-K68 PolarHBondContact O-N 3.46Å; L64-K68 VanDerWaalsContact O-N 3.12Å; L64-V73 HydrophobicContact CD2-CG1 3.74Å; L64-L88 HydrophobicContact CD1-CD1 3.9Å; L64-L88 HydrophobicContact CD1-CD2 3.64Å; L64-L88 HydrophobicContact CD1-CG 4.4Å; L64-F160 HydrophobicContact CD2-CD2 4.04Å; L64-F160 HydrophobicContact CD2-CE2 3.57Å; L64-F160 HydrophobicContact CG-CD2 4.22Å; L64-F160 HydrophobicContact CG-CE2 4.23Å
65L97.3Very high95.8Very high92 Ų9249.9 Ų49.948%0.48228%0.28SS..G310 helixtrans-61.6-33177-71173.7000112.6V61 I63 K68 Y76V61-L65 HydrophobicContact CG1-CD1 3.79Å; V61-L65 HydrophobicContact CG1-CG 4.18Å; V61-L65 WeakPolarHBondContact O-CB 3.49Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.32Å; V61-L65 PolarHBondContact O-N 3Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 3.35Å; L65-K68 WeakPolarHBondContact O-CB 3.46Å; L65-Y76 HydrophobicContact CD2-CD1 3.67Å; L65-Y76 HydrophobicContact CD2-CE1 3.99Å; L65-Y76 HydrophobicContact CD2-CG 4.1Å
66K96.5Very high96.1Very high74 Ų7450.5 Ų50.532%0.32228%0.275SS..G310 helixtrans-79-22.6176.4-69.5179.8-174.5-1410113.1G62 I63 L64 K68 I131 Q169G62-K66 WeakPolarHBondContact O-CD 3.31Å; G62-K66 VanDerWaalsContact O-CG 3.31Å; G62-K66 WeakPolarHBondContact O-CG 3.24Å; I63-K66 WeakPolarHBondContact O-CA 3.03Å; I63-K66 WeakPolarHBondContact O-CB 3.33Å; I63-K66 PolarHBondContact O-N 2.86Å; L64-K66 PolarHBondContact O-N 3.02Å; K66-K68 VanDerWaalsContact C-N 3.34Å; K66-I131 HydrophobicContact CB-CB 4.41Å; K66-I131 HydrophobicContact CB-CD1 3.78Å; K66-I131 HydrophobicContact CB-CG2 4.27Å; K66-Q169 VanDerWaalsContact NZ-NE2 3.16Å
67L97.3Very high96.3Very high7 Ų751.4 Ų51.44%0.03728%0.278CS..G310 helixtrans-92.67.6175.3-67.4173.7000112.6I63 L64 G69 A70 V73 D127 L128 I131 F160I63-L67 HydrophobicContact CG2-CD1 3.67Å; I63-L67 HydrophobicContact CG2-CG 4.38Å; I63-L67 WeakPolarHBondContact O-CG 3.23Å; I63-L67 PolarHBondContact O-N 3.14Å; L64-L67 CarbonylContact O-C 3.56Å; L64-L67 PolarHBondContact O-N 2.89Å; L64-L67 VanDerWaalsContact O-N 3.08Å; L67-G69 PolarHBondContact O-N 2.82Å; L67-G69 VanDerWaalsContact O-N 3.14Å; L67-A70 HydrophobicContact CB-CB 4.28Å; L67-A70 HydrophobicContact CD2-CB 4.45Å; L67-A70 WeakPolarHBondContact O-CB 3.4Å; L67-A70 PolarHBondContact O-N 2.98Å; L67-V73 HydrophobicContact CB-CB 4.33Å; L67-V73 HydrophobicContact CB-CG1 4Å; L67-V73 HydrophobicContact CB-CG2 4.02Å; L67-V73 HydrophobicContact CD1-CG1 4.44Å; L67-V73 HydrophobicContact CD1-CG2 3.92Å; L67-V73 HydrophobicContact CG-CG2 4.42Å; L67-D127 HydrophobicContact CD2-CB 4.35Å; L67-L128 HydrophobicContact CD1-CD1 4Å; L67-I131 HydrophobicContact CD1-CD1 4.18Å; L67-I131 HydrophobicContact CD2-CD1 3.7Å; L67-I131 HydrophobicContact CD2-CG1 3.95Å; L67-I131 HydrophobicContact CD2-CG2 4.15Å; L67-I131 HydrophobicContact CG-CD1 3.62Å; L67-I131 HydrophobicContact CG-CG1 4.41Å; L67-F160 HydrophobicContact CD1-CE1 4.1Å; L67-F160 HydrophobicContact CD1-CZ 3.97Å
68K96Very high96.5Very high174 Ų17453 Ų5376%0.75729%0.287SS*.THydrogen-bonded Turntrans-54.8123.1177.3-175.8179.1178.8-179.80110.1L64 L65 K66L64-K68 PolarHBondContact O-N 3.46Å; L64-K68 VanDerWaalsContact O-N 3.12Å; L65-K68 WeakPolarHBondContact O-CB 3.46Å; K66-K68 VanDerWaalsContact C-N 3.34Å
69G94.9Very high96.6Very high82 Ų8249.9 Ų49.985%0.84527%0.271SS*.THydrogen-bonded Turntrans87.7-2.9-17800000114.8L67L67-G69 PolarHBondContact O-N 2.82Å; L67-G69 VanDerWaalsContact O-N 3.14Å
70A97.1Very high96.7Very high21 Ų2147.5 Ų47.517%0.17425%0.252CS..  trans-64.8139.3168.600000110.2L67 H72 V73 D127L67-A70 HydrophobicContact CB-CB 4.28Å; L67-A70 HydrophobicContact CD2-CB 4.45Å; L67-A70 WeakPolarHBondContact O-CB 3.4Å; L67-A70 PolarHBondContact O-N 2.98Å; A70-H72 VanDerWaalsContact C-N 3.29Å; A70-H72 PolarHBondContact O-N 2.98Å; A70-V73 HydrophobicContact CB-CB 4.21Å; A70-V73 HydrophobicContact CB-CG2 3.88Å; A70-D127 HydrophobicContact CB-CB 4.27Å
71R96.9Very high96.7Very high135 Ų13552.3 Ų52.351%0.50927%0.274SS..THydrogen-bonded Turntrans-64-34.1-171.6-179.4179.1178.2-158.66.3113.2E123 L154R71-E123 IonicContact CZ-OE2 2.71Å; R71-E123 IonicContact NH1-OE1 2.63Å; R71-E123 IonicContact NH1-OE2 3.41Å; R71-E123 PolarHBondContact NH1-OE2 2.79Å; R71-L154 HydrophobicContact CG-CD2 4.48Å
72H98.2Very high96.5Very high1 Ų154.1 Ų54.11%0.00529%0.285CS..THydrogen-bonded Turntrans-108.930.1-171.6-58.6-71.5000112.8A70 Q120 E123 A124 V155 Y156 L157A70-H72 VanDerWaalsContact C-N 3.29Å; A70-H72 PolarHBondContact O-N 2.98Å; H72-Q120 PolarHBondContact CE1-OE1 2.83Å; H72-Q120 VanDerWaalsContact CE1-OE1 3.23Å; H72-E123 IonicContact CE1-OE2 2.69Å; H72-E123 IonicContact NE2-OE2 3.13Å; H72-E123 PolarHBondContact NE2-OE2 3.33Å; H72-A124 HydrophobicContact CB-CB 3.47Å; H72-A124 VanDerWaalsContact CB-CB 3.47Å; H72-V155 WeakPolarHBondContact CB-O 3.08Å; H72-V155 PolarHBondContact ND1-O 3.06Å; H72-Y156 CarbonylContact O-C 3.58Å; H72-Y156 WeakPolarHBondContact O-CA 3.5Å; H72-L157 PolarHBondContact O-N 3.35Å
73V97.8Very high96.3Very high18 Ų1860.9 Ų60.911%0.10932%0.315CS..SBendtrans-131.2128.1-179.3179.70000110L64 L67 A70L64-V73 HydrophobicContact CD2-CG1 3.74Å; L67-V73 HydrophobicContact CB-CB 4.33Å; L67-V73 HydrophobicContact CB-CG1 4Å; L67-V73 HydrophobicContact CB-CG2 4.02Å; L67-V73 HydrophobicContact CD1-CG1 4.44Å; L67-V73 HydrophobicContact CD1-CG2 3.92Å; L67-V73 HydrophobicContact CG-CG2 4.42Å; A70-V73 HydrophobicContact CB-CB 4.21Å; A70-V73 HydrophobicContact CB-CG2 3.88Å
74L96.8Very high96Very high7 Ų767.6 Ų67.64%0.03735%0.346CS..PPolyproline II helixtrans-68145176-71.3172.6000110.8Y76 M90 E91 V144 Y156 I158L74-Y76 PolarHBondContact O-N 2.82Å; L74-M90 HydrophobicContact CB-CE 4.26Å; L74-M90 HydrophobicContact CD1-CE 3.61Å; L74-E91 HydrophobicContact CB-CB 4.15Å; L74-E91 HydrophobicContact CD2-CB 4.2Å; L74-E91 HydrophobicContact CD2-CG 3.94Å; L74-V144 HydrophobicContact CD1-CG2 3.81Å; L74-Y156 HydrophobicContact CD2-CD1 3.82Å; L74-Y156 HydrophobicContact CD2-CD2 4.12Å; L74-Y156 HydrophobicContact CD2-CE1 4.21Å; L74-Y156 HydrophobicContact CD2-CE2 4.49Å; L74-Y156 HydrophobicContact CD2-CG 3.77Å; L74-Y156 HydrophobicContact CG-CD1 4.04Å; L74-Y156 HydrophobicContact CG-CG 3.94Å; L74-I158 HydrophobicContact CD1-CG2 3.75Å
75Q95.1Very high95.9Very high115 Ų11568 Ų6854%0.53735%0.348SS..PPolyproline II helixtrans-68.9132.4-173.6-168.2175.635.400112.5L77 M90 E91Q75-L77 HydrophobicContact CG-CD2 4.28Å; Q75-M90 CarbonylContact O-C 3.24Å; Q75-M90 WeakPolarHBondContact O-CA 3.42Å; Q75-M90 WeakPolarHBondContact O-CB 3.49Å; Q75-E91 HydrophobicContact CB-CB 4.08Å; Q75-E91 PolarHBondContact N-OE2 2.81Å; Q75-E91 PolarHBondContact O-N 3.14Å
76Y97Very high95.7Very high71 Ų7164.9 Ų64.928%0.27833%0.329SS..EExtended strand (participates in β ladder)trans-67.2130.9164165.6-92.7000110.4V61 L65 L74 D78 Y79 L88V61-Y76 HydrophobicContact CG1-CD2 4.39Å; V61-Y76 HydrophobicContact CG1-CE2 3.95Å; V61-Y76 HydrophobicContact CG2-CE2 4.24Å; L65-Y76 HydrophobicContact CD2-CD1 3.67Å; L65-Y76 HydrophobicContact CD2-CE1 3.99Å; L65-Y76 HydrophobicContact CD2-CG 4.1Å; L74-Y76 PolarHBondContact O-N 2.82Å; Y76-D78 WeakPolarHBondContact CE2-O 3.43Å; Y76-Y79 PolarHBondContact OH-N 3.21Å; Y76-L88 HydrophobicContact CD2-CD1 3.68Å; Y76-L88 HydrophobicContact CE2-CD1 4.01Å
77L96Very high95.7Very high52 Ų5261.7 Ų61.727%0.27232%0.316SS..EExtended strand (participates in β ladder)trans-114.5-44.6-179.3-59.8178000112.6W18 A44 Q75 I89W18-L77 HydrophobicContact CH2-CD1 3.99Å; W18-L77 HydrophobicContact CZ2-CB 4.18Å; W18-L77 HydrophobicContact CZ2-CD1 4.45Å; A44-L77 HydrophobicContact CB-CD1 3.64Å; Q75-L77 HydrophobicContact CG-CD2 4.28Å; L77-I89 HydrophobicContact CB-CB 4.31Å; L77-I89 HydrophobicContact CB-CG2 4.04Å; L77-I89 WeakPolarHBondContact CB-O 3.35Å; L77-I89 HydrophobicContact CD1-CG2 4.2Å; L77-I89 PolarHBondContact N-O 2.82Å
78D96.6Very high95.7Very high34 Ų3461.3 Ų61.318%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-161.2162.5-174.9-154.9-2.8000111.9S15 W18 Y76 I89S15-D78 WeakPolarHBondContact CB-OD2 3.49Å; S15-D78 PolarHBondContact OG-OD2 3.14Å; W18-D78 PolarHBondContact NE1-OD2 2.92Å; Y76-D78 WeakPolarHBondContact CE2-O 3.43Å; D78-I89 HydrophobicContact CB-CB 3.78Å; D78-I89 HydrophobicContact CB-CG1 3.79Å; D78-I89 PolarHBondContact N-O 2.91Å; D78-I89 VanDerWaalsContact N-O 3.1Å; D78-I89 PolarHBondContact O-N 2.85Å
79Y97.3Very high95.8Very high50 Ų5053 Ų5320%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-148.5142.7172.5170.5-91.9000109.5L57 V61 Y76 E81 R86 F87L57-Y79 HydrophobicContact CB-CE2 4.33Å; V61-Y79 HydrophobicContact CG2-CD2 3.59Å; V61-Y79 HydrophobicContact CG2-CE2 4.3Å; V61-Y79 HydrophobicContact CG2-CG 4.05Å; Y76-Y79 PolarHBondContact OH-N 3.21Å; Y79-E81 PolarHBondContact OH-OE2 2.93Å; Y79-R86 HydrophobicContact CE2-CB 4.36Å; Y79-R86 WeakPolarHBondContact OH-CD 3.35Å; Y79-F87 WeakPolarHBondContact CA-O 3.35Å; Y79-F87 WeakPolarHBondContact CD2-O 3.47Å
80G96.1Very high95.8Very high11 Ų1150.2 Ų50.211%0.11324%0.243CC..EExtended strand (participates in β ladder)trans-152.3166.617200000113.1R86 F87G80-R86 WeakPolarHBondContact O-CA 3.29Å; G80-F87 VanDerWaalsContact CA-CZ 3.42Å; G80-F87 PolarHBondContact N-O 2.97Å; G80-F87 WeakPolarHBondContact O-CD1 3.43Å; G80-F87 PolarHBondContact O-N 2.88Å
81E95Very high95.8Very high104 Ų10452 Ų5249%0.48625%0.248SC..EExtended strand (participates in β ladder)trans-136.4140.8-179.7-178.4158.3-169.700109Y79 R86Y79-E81 PolarHBondContact OH-OE2 2.93Å; E81-R86 HydrophobicContact CB-CG 4.08Å; E81-R86 VanDerWaalsContact CD-NE 3.28Å; E81-R86 HydrophobicContact CG-CG 3.71Å; E81-R86 IonicContact OE1-CZ 2.93Å; E81-R86 VanDerWaalsContact OE1-CZ 3.24Å; E81-R86 IonicContact OE1-NE 2.73Å; E81-R86 PolarHBondContact OE1-NE 2.81Å; E81-R86 IonicContact OE1-NH2 3.19Å; E81-R86 PolarHBondContact OE1-NH2 2.92Å; E81-R86 IonicContact OE2-NE 2.85Å; E81-R86 PolarHBondContact OE2-NE 2.93Å
82T93.2Very high95.7Very high51 Ų5146.9 Ų46.931%0.31323%0.23SC..  trans-125.9171.2172.1680000108Q84 F85T82-Q84 PolarHBondContact O-N 3.26Å; T82-Q84 PolarHBondContact OG1-N 3.19Å; T82-F85 HydrophobicContact CG2-CE1 4.37Å; T82-F85 HydrophobicContact CG2-CE2 4.13Å; T82-F85 HydrophobicContact CG2-CZ 3.98Å; T82-F85 PolarHBondContact N-O 3.29Å; T82-F85 WeakPolarHBondContact OG1-CD1 3.33Å; T82-F85 PolarHBondContact OG1-N 2.71Å; T82-F85 PolarHBondContact OG1-O 3.41Å
83D91.8Very high95.6Very high170 Ų17047.5 Ų47.591%0.90924%0.237SC*.SBendtrans-60.6-19.1174.4-61.1-26.8000113.2
84Q92.1Very high95.5Very high144 Ų14447.5 Ų47.567%0.67324%0.241SC*.SBendtrans-104.7-35.1-174.7-64.8-175.6-14.400113.4A51 T82A51-Q84 WeakPolarHBondContact CB-O 3.47Å; A51-Q84 PolarHBondContact N-O 3.11Å; T82-Q84 PolarHBondContact O-N 3.26Å; T82-Q84 PolarHBondContact OG1-N 3.19Å
85F94.3Very high95.3Very high15 Ų1550.4 Ų50.47%0.06626%0.26CS..EExtended strand (participates in β ladder)trans-156.9158.8-172.962.3-93.7000112.9V6 L8 L14 I48 E49 T82 F87V6-F85 HydrophobicContact CG1-CB 4.36Å; V6-F85 HydrophobicContact CG1-CD1 4.21Å; V6-F85 HydrophobicContact CG1-CG 4.39Å; V6-F85 HydrophobicContact CG2-CB 4.35Å; L8-F85 HydrophobicContact CD1-CE2 4.15Å; L8-F85 HydrophobicContact CD1-CZ 4.08Å; L8-F85 HydrophobicContact CD2-CD1 4.23Å; L8-F85 HydrophobicContact CD2-CE1 3.79Å; L8-F85 HydrophobicContact CD2-CZ 4.12Å; L14-F85 HydrophobicContact CD2-CE2 3.81Å; L14-F85 HydrophobicContact CD2-CZ 3.94Å; I48-F85 HydrophobicContact CG2-CB 3.9Å; I48-F85 HydrophobicContact CG2-CD2 3.78Å; I48-F85 HydrophobicContact CG2-CG 3.98Å; E49-F85 CarbonylContact O-C 3.46Å; E49-F85 VanDerWaalsContact O-CA 3.23Å; E49-F85 WeakPolarHBondContact O-CA 3.22Å; E49-F85 VanDerWaalsContact O-CB 3.27Å; E49-F85 WeakPolarHBondContact O-CB 3.5Å; T82-F85 HydrophobicContact CG2-CE1 4.37Å; T82-F85 HydrophobicContact CG2-CE2 4.13Å; T82-F85 HydrophobicContact CG2-CZ 3.98Å; T82-F85 PolarHBondContact N-O 3.29Å; T82-F85 WeakPolarHBondContact OG1-CD1 3.33Å; T82-F85 PolarHBondContact OG1-N 2.71Å; T82-F85 PolarHBondContact OG1-O 3.41Å; F85-F87 HydrophobicContact CD2-CD1 4.12Å; F85-F87 AromaticContact CE2-CD1 3.76Å; F85-F87 HydrophobicContact CE2-CD1 3.76Å; F85-F87 HydrophobicContact CE2-CE1 4.41Å
86R94.9Very high95.4Very high26 Ų2646.4 Ų46.410%0.09824%0.242CC..EExtended strand (participates in β ladder)trans-106.9150.9167.4-62.3170.3-169.595.817.1109.2I48 E49 A51 V53 L57 Y79 G80 E81I48-R86 WeakPolarHBondContact CA-O 3.38Å; E49-R86 HydrophobicContact CG-CB 3.96Å; E49-R86 PolarHBondContact N-O 3.12Å; E49-R86 PolarHBondContact O-N 2.68Å; E49-R86 WeakPolarHBondContact OE1-CD 3.5Å; A51-R86 PolarHBondContact O-NH1 2.71Å; A51-R86 PolarHBondContact O-NH2 2.84Å; A51-R86 VanDerWaalsContact O-NH2 3.1Å; V53-R86 PolarHBondContact O-NH1 2.97Å; L57-R86 HydrophobicContact CD1-CB 4.3Å; Y79-R86 HydrophobicContact CE2-CB 4.36Å; Y79-R86 WeakPolarHBondContact OH-CD 3.35Å; G80-R86 WeakPolarHBondContact O-CA 3.29Å; E81-R86 HydrophobicContact CB-CG 4.08Å; E81-R86 VanDerWaalsContact CD-NE 3.28Å; E81-R86 HydrophobicContact CG-CG 3.71Å; E81-R86 IonicContact OE1-CZ 2.93Å; E81-R86 VanDerWaalsContact OE1-CZ 3.24Å; E81-R86 IonicContact OE1-NE 2.73Å; E81-R86 PolarHBondContact OE1-NE 2.81Å; E81-R86 IonicContact OE1-NH2 3.19Å; E81-R86 PolarHBondContact OE1-NH2 2.92Å; E81-R86 IonicContact OE2-NE 2.85Å; E81-R86 PolarHBondContact OE2-NE 2.93Å
87F96.2Very high95.4Very high7 Ų743 Ų433%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-138.6145176.462.7-88.7000112.5L14 S15 K47 I48 Y79 G80 F85 I89L14-F87 HydrophobicContact CB-CD2 4.24Å; L14-F87 HydrophobicContact CB-CE1 4.36Å; L14-F87 HydrophobicContact CB-CE2 3.93Å; L14-F87 HydrophobicContact CB-CZ 3.98Å; L14-F87 HydrophobicContact CD1-CB 4.42Å; L14-F87 HydrophobicContact CD1-CD2 4.24Å; L14-F87 HydrophobicContact CD1-CG 4.25Å; S15-F87 WeakPolarHBondContact OG-CE2 3.41Å; S15-F87 WeakPolarHBondContact OG-CZ 3.38Å; K47-F87 CarbonylContact O-C 3.51Å; K47-F87 VanDerWaalsContact O-CA 3.27Å; K47-F87 WeakPolarHBondContact O-CA 3.47Å; I48-F87 HydrophobicContact CD1-CB 3.34Å; I48-F87 HydrophobicContact CD1-CG 4.47Å; Y79-F87 WeakPolarHBondContact CA-O 3.35Å; Y79-F87 WeakPolarHBondContact CD2-O 3.47Å; G80-F87 VanDerWaalsContact CA-CZ 3.42Å; G80-F87 PolarHBondContact N-O 2.97Å; G80-F87 WeakPolarHBondContact O-CD1 3.43Å; G80-F87 PolarHBondContact O-N 2.88Å; F85-F87 HydrophobicContact CD2-CD1 4.12Å; F85-F87 AromaticContact CE2-CD1 3.76Å; F85-F87 HydrophobicContact CE2-CD1 3.76Å; F85-F87 HydrophobicContact CE2-CE1 4.41Å; F87-I89 HydrophobicContact CD2-CD1 3.82Å; F87-I89 HydrophobicContact CD2-CG1 3.95Å; F87-I89 HydrophobicContact CE2-CD1 4.41Å; F87-I89 HydrophobicContact CE2-CG1 4.24Å
88L96.5Very high95.5Very high0 Ų042.2 Ų42.20%023%0.228CC..EExtended strand (participates in β ladder)trans-116.3127.1170.916065.4000107.8A46 K47 L57 E60 V61 L64 Y76 M90A46-L88 CarbonylContact C-O 3.59Å; A46-L88 WeakPolarHBondContact CA-O 3.44Å; K47-L88 HydrophobicContact CB-CB 4.47Å; K47-L88 PolarHBondContact N-O 2.9Å; K47-L88 PolarHBondContact O-N 2.86Å; L57-L88 HydrophobicContact CD1-CB 4.37Å; L57-L88 HydrophobicContact CD2-CB 4.24Å; L57-L88 HydrophobicContact CD2-CD2 4.47Å; E60-L88 HydrophobicContact CG-CD2 3.96Å; V61-L88 HydrophobicContact CG2-CD1 3.91Å; L64-L88 HydrophobicContact CD1-CD1 3.9Å; L64-L88 HydrophobicContact CD1-CD2 3.64Å; L64-L88 HydrophobicContact CD1-CG 4.4Å; Y76-L88 HydrophobicContact CD2-CD1 3.68Å; Y76-L88 HydrophobicContact CE2-CD1 4.01Å; L88-M90 HydrophobicContact CD2-SD 4.46Å
89I97.2Very high95.4Very high0 Ų042.6 Ų42.60%023%0.23CC..EExtended strand (participates in β ladder)trans-103.7126170-45.7-59.6000108.6L14 W18 V35 A44 A45 A46 L77 D78 F87L14-I89 HydrophobicContact CD1-CD1 4.07Å; W18-I89 HydrophobicContact CB-CD1 4.36Å; W18-I89 HydrophobicContact CD2-CG1 4.44Å; W18-I89 HydrophobicContact CD2-CG2 3.86Å; W18-I89 HydrophobicContact CE3-CG2 4.16Å; W18-I89 HydrophobicContact CG-CD1 4.25Å; W18-I89 HydrophobicContact CG-CG1 4.06Å; W18-I89 HydrophobicContact CG-CG2 4.32Å; W18-I89 HydrophobicContact CH2-CG2 4.27Å; W18-I89 HydrophobicContact CZ2-CG2 3.98Å; W18-I89 HydrophobicContact CZ3-CG2 4.36Å; V35-I89 HydrophobicContact CG2-CD1 4.39Å; V35-I89 HydrophobicContact CG2-CG2 4.21Å; A44-I89 HydrophobicContact CB-CG2 3.67Å; A45-I89 WeakPolarHBondContact O-CA 3.41Å; A46-I89 HydrophobicContact CB-CD1 3.49Å; A46-I89 VanDerWaalsContact CB-CD1 3.49Å; L77-I89 HydrophobicContact CB-CB 4.31Å; L77-I89 HydrophobicContact CB-CG2 4.04Å; L77-I89 WeakPolarHBondContact CB-O 3.35Å; L77-I89 HydrophobicContact CD1-CG2 4.2Å; L77-I89 PolarHBondContact N-O 2.82Å; D78-I89 HydrophobicContact CB-CB 3.78Å; D78-I89 HydrophobicContact CB-CG1 3.79Å; D78-I89 PolarHBondContact N-O 2.91Å; D78-I89 VanDerWaalsContact N-O 3.1Å; D78-I89 PolarHBondContact O-N 2.85Å; F87-I89 HydrophobicContact CD2-CD1 3.82Å; F87-I89 HydrophobicContact CD2-CG1 3.95Å; F87-I89 HydrophobicContact CE2-CD1 4.41Å; F87-I89 HydrophobicContact CE2-CG1 4.24Å
90M96.7Very high95.4Very high23 Ų2341.1 Ų41.111%0.11323%0.225CC..EExtended strand (participates in β ladder)trans-136.7160.8177.262.2-177.8-120.100110.6A44 A45 L74 Q75 L88 L92 I158A44-M90 WeakPolarHBondContact CB-O 3.16Å; A45-M90 HydrophobicContact CB-CG 4.13Å; A45-M90 PolarHBondContact N-O 3.38Å; A45-M90 PolarHBondContact O-N 3.43Å; L74-M90 HydrophobicContact CB-CE 4.26Å; L74-M90 HydrophobicContact CD1-CE 3.61Å; Q75-M90 CarbonylContact O-C 3.24Å; Q75-M90 WeakPolarHBondContact O-CA 3.42Å; Q75-M90 WeakPolarHBondContact O-CB 3.49Å; L88-M90 HydrophobicContact CD2-SD 4.46Å; M90-L92 PolarHBondContact O-N 2.97Å; M90-I158 HydrophobicContact CE-CG2 3.95Å
91E95.8Very high95.5Very high58 Ų5841.4 Ų41.427%0.27122%0.223SC..EExtended strand (participates in β ladder)trans-48.2136.9172.1-178.6-174.9-179.600110.7L74 Q75 G93L74-E91 HydrophobicContact CB-CB 4.15Å; L74-E91 HydrophobicContact CD2-CB 4.2Å; L74-E91 HydrophobicContact CD2-CG 3.94Å; Q75-E91 HydrophobicContact CB-CB 4.08Å; Q75-E91 PolarHBondContact N-OE2 2.81Å; Q75-E91 PolarHBondContact O-N 3.14Å; E91-G93 PolarHBondContact O-N 3.06Å
92L95.8Very high95.6Very high27 Ų2742.9 Ų42.914%0.14122%0.224CC..PPolyproline II helixtrans-80.8117.7179.1-17660000109.6I24 L34 E43 A45 M90 R147I24-L92 HydrophobicContact CD1-CD1 3.68Å; L34-L92 HydrophobicContact CD1-CD2 3.46Å; L34-L92 VanDerWaalsContact CD1-CD2 3.46Å; E43-L92 HydrophobicContact CB-CD2 4.42Å; A45-L92 HydrophobicContact CB-CD1 3.8Å; M90-L92 PolarHBondContact O-N 2.97Å; L92-R147 WeakPolarHBondContact O-CD 3.43Å
93G95.5Very high95.6Very high15 Ų1546.4 Ų46.416%0.15524%0.236CC..PPolyproline II helixtrans-77.7168.6168.500000112.8E91E91-G93 PolarHBondContact O-N 3.06Å
94G94.9Very high95.8Very high18 Ų1839.2 Ų39.219%0.18620%0.197CC..  trans-79-163.2171.200000112.7I145G94-I145 WeakPolarHBondContact CA-O 3.47Å; G94-I145 PolarHBondContact N-O 2.99Å
95P94Very high95.9Very high67 Ų6737.6 Ų37.644%0.43520%0.199SC..  trans-57.6146.7175.6-2434000112.5L100 I145P95-L100 HydrophobicContact CB-CD2 3.84Å; P95-L100 HydrophobicContact CB-CG 3.97Å; P95-L100 HydrophobicContact CG-CD2 4.25Å; P95-I145 PolarHBondContact O-N 3.25Å
96N96.1Very high96Very high31 Ų3141.1 Ų41.117%0.16622%0.221CC..BIsolated β-bridgetrans-76.5158.7173.269.271.6000111.8S98 D99 L100 C141 F143 V144N96-S98 VanDerWaalsContact C-N 3.25Å; N96-S98 PolarHBondContact O-N 3.14Å; N96-S98 WeakPolarHBondContact OD1-CA 3.21Å; N96-S98 VanDerWaalsContact OD1-CB 3.26Å; N96-S98 WeakPolarHBondContact OD1-CB 3.49Å; N96-S98 PolarHBondContact OD1-N 3.18Å; N96-S98 VanDerWaalsContact OD1-N 3.08Å; N96-D99 PolarHBondContact ND2-OD2 3.33Å; N96-D99 PolarHBondContact O-N 3.14Å; N96-D99 VanDerWaalsContact O-N 3.15Å; N96-D99 PolarHBondContact OD1-N 3.1Å; N96-L100 WeakPolarHBondContact O-CG 3.33Å; N96-L100 PolarHBondContact O-N 2.88Å; N96-C141 WeakPolarHBondContact CB-O 3.28Å; N96-F143 CarbonylContact C-O 3.57Å; N96-F143 WeakPolarHBondContact CA-O 3.33Å; N96-F143 WeakPolarHBondContact CB-O 3.41Å; N96-V144 HydrophobicContact CB-CG1 3.92Å
97L98.1Very high96.1Very high0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-66.6-26.1-174.9-59.7-178.2000113.3L100 K101 L117 F121 P140 F143 I145 V155 L216 W294L97-L100 HydrophobicContact CD2-CD1 4.03Å; L97-K101 VanDerWaalsContact O-CB 3.29Å; L97-K101 WeakPolarHBondContact O-CB 3.22Å; L97-K101 PolarHBondContact O-N 3.33Å; L97-L117 HydrophobicContact CD1-CD1 4.12Å; L97-L117 HydrophobicContact CD1-CD2 3.95Å; L97-L117 HydrophobicContact CD2-CD2 4.33Å; L97-F121 HydrophobicContact CD1-CE1 3.42Å; L97-F121 VanDerWaalsContact CD1-CE1 3.42Å; L97-F121 HydrophobicContact CD1-CZ 3.31Å; L97-P140 HydrophobicContact CB-CB 4.15Å; L97-P140 WeakPolarHBondContact CB-O 3.31Å; L97-P140 PolarHBondContact N-O 3.11Å; L97-F143 HydrophobicContact CD1-CB 3.59Å; L97-F143 HydrophobicContact CD1-CG 4.36Å; L97-F143 HydrophobicContact CG-CB 3.89Å; L97-F143 PolarHBondContact N-O 3.21Å; L97-I145 HydrophobicContact CD2-CG2 3.91Å; L97-V155 HydrophobicContact CD1-CG1 4.35Å; L97-V155 HydrophobicContact CD2-CG1 4.2Å; L97-L216 HydrophobicContact CB-CD2 4.46Å; L97-W294 HydrophobicContact CD2-CH2 4.07Å; L97-W294 HydrophobicContact CD2-CZ3 4.33Å
98S97Very high96.1Very high35 Ų3551.4 Ų51.425%0.24526%0.264CS..Hα-helixtrans-66.4-42.2174.3-173.10000111.4N96 R102N96-S98 VanDerWaalsContact C-N 3.25Å; N96-S98 PolarHBondContact O-N 3.14Å; N96-S98 WeakPolarHBondContact OD1-CA 3.21Å; N96-S98 VanDerWaalsContact OD1-CB 3.26Å; N96-S98 WeakPolarHBondContact OD1-CB 3.49Å; N96-S98 PolarHBondContact OD1-N 3.18Å; N96-S98 VanDerWaalsContact OD1-N 3.08Å; S98-R102 PolarHBondContact O-N 2.66Å
99D95.5Very high96.2Very high43 Ų4351.5 Ų51.523%0.2326%0.264CS..Hα-helixtrans-68.3-45.9176.3-69-24.3000110.9N96 K101 R102 F103N96-D99 PolarHBondContact ND2-OD2 3.33Å; N96-D99 PolarHBondContact O-N 3.14Å; N96-D99 VanDerWaalsContact O-N 3.15Å; N96-D99 PolarHBondContact OD1-N 3.1Å; D99-K101 VanDerWaalsContact C-N 3.26Å; D99-K101 PolarHBondContact O-N 3.36Å; D99-R102 WeakPolarHBondContact O-CB 3.06Å; D99-R102 PolarHBondContact O-N 3.27Å; D99-R102 IonicContact OD1-CZ 2.65Å; D99-R102 IonicContact OD1-NH1 3.93Å; D99-R102 PolarHBondContact OD1-NH1 2.84Å; D99-R102 IonicContact OD1-NH2 2.86Å; D99-R102 PolarHBondContact OD1-NH2 3.35Å; D99-F103 HydrophobicContact CB-CE2 4.33Å; D99-F103 WeakPolarHBondContact O-CD2 3.03Å; D99-F103 PolarHBondContact O-N 3.44Å
100L96.8Very high96.3Very high18 Ų1853.7 Ų53.79%0.09428%0.279CS..Hα-helixtrans-57.9-40176.3-68.4176.8000112.1P95 N96 L97 F103 Q104 F109 I145 W294P95-L100 HydrophobicContact CB-CD2 3.84Å; P95-L100 HydrophobicContact CB-CG 3.97Å; P95-L100 HydrophobicContact CG-CD2 4.25Å; N96-L100 WeakPolarHBondContact O-CG 3.33Å; N96-L100 PolarHBondContact O-N 2.88Å; L97-L100 HydrophobicContact CD2-CD1 4.03Å; L100-F103 PolarHBondContact O-N 3.31Å; L100-Q104 WeakPolarHBondContact O-CG 3.13Å; L100-Q104 PolarHBondContact O-N 2.99Å; L100-Q104 PolarHBondContact O-NE2 2.72Å; L100-F109 HydrophobicContact CB-CE1 4.42Å; L100-F109 HydrophobicContact CB-CZ 3.83Å; L100-I145 HydrophobicContact CD1-CD1 3.97Å; L100-I145 HydrophobicContact CD1-CG1 4.24Å; L100-I145 HydrophobicContact CD1-CG2 3.64Å; L100-W294 HydrophobicContact CB-CE3 4.41Å; L100-W294 HydrophobicContact CD1-CD2 3.79Å; L100-W294 HydrophobicContact CD1-CE3 4.12Å; L100-W294 HydrophobicContact CD1-CG 4.01Å; L100-W294 HydrophobicContact CD1-CZ2 4.48Å; L100-W294 HydrophobicContact CD2-CB 4.02Å; L100-W294 HydrophobicContact CD2-CG 4.16Å
101K97.9Very high96.3Very high18 Ų1854.1 Ų54.18%0.07828%0.282CS..Hα-helixtrans-61.8-47.1173-176.2-17884.1173.20111.2L97 D99 F103 Q104 K107 F109 D215 L216 G219L97-K101 VanDerWaalsContact O-CB 3.29Å; L97-K101 WeakPolarHBondContact O-CB 3.22Å; L97-K101 PolarHBondContact O-N 3.33Å; D99-K101 VanDerWaalsContact C-N 3.26Å; D99-K101 PolarHBondContact O-N 3.36Å; K101-F103 PolarHBondContact O-N 3.01Å; K101-Q104 WeakPolarHBondContact O-CB 3.41Å; K101-Q104 PolarHBondContact O-N 2.77Å; K101-K107 VanDerWaalsContact CG-O 3.26Å; K101-K107 WeakPolarHBondContact CG-O 3.49Å; K101-K107 WeakPolarHBondContact O-CA 3.42Å; K101-F109 HydrophobicContact CB-CE1 4.29Å; K101-F109 HydrophobicContact CB-CE2 4.2Å; K101-F109 HydrophobicContact CB-CZ 3.93Å; K101-D215 PolarHBondContact NZ-O 3.05Å; K101-D215 IonicContact NZ-OD1 3.57Å; K101-D215 PolarHBondContact NZ-OD1 3.16Å; K101-D215 IonicContact NZ-OD2 3.53Å; K101-D215 PolarHBondContact NZ-OD2 3.43Å; K101-D215 VanDerWaalsContact NZ-OD2 3.13Å; K101-L216 HydrophobicContact CB-CD2 4.19Å; K101-L216 HydrophobicContact CD-CD2 3.88Å; K101-L216 HydrophobicContact CG-CD2 4.46Å; K101-G219 PolarHBondContact NZ-O 3.47Å
102R96.7Very high96.4Very high134 Ų13452.1 Ų52.151%0.50628%0.275SS..Hα-helixtrans-59.3-33.9-179.6-176.4174.266-114.9-3.3112.4S98 D99 Q104S98-R102 PolarHBondContact O-N 2.66Å; D99-R102 WeakPolarHBondContact O-CB 3.06Å; D99-R102 PolarHBondContact O-N 3.27Å; D99-R102 IonicContact OD1-CZ 2.65Å; D99-R102 IonicContact OD1-NH1 3.93Å; D99-R102 PolarHBondContact OD1-NH1 2.84Å; D99-R102 IonicContact OD1-NH2 2.86Å; D99-R102 PolarHBondContact OD1-NH2 3.35Å; R102-Q104 VanDerWaalsContact C-N 3.33Å
103F94.5Very high96.6Very high126 Ų12650.9 Ų50.955%0.55327%0.268SS*.THydrogen-bonded Turntrans-82.3-4.3178.3-69.2-63.1000114.4D99 L100 K101 K297D99-F103 HydrophobicContact CB-CE2 4.33Å; D99-F103 WeakPolarHBondContact O-CD2 3.03Å; D99-F103 PolarHBondContact O-N 3.44Å; L100-F103 PolarHBondContact O-N 3.31Å; K101-F103 PolarHBondContact O-N 3.01Å; F103-K297 PolarHBondContact O-NZ 2.9Å
104Q96Very high96.7Very high19 Ų1950.1 Ų50.19%0.08926%0.26CS..SBendtrans-72.7141.2169.7-63.1-52.3-48.200110.6L100 K101 R102 T106 K107 F109L100-Q104 WeakPolarHBondContact O-CG 3.13Å; L100-Q104 PolarHBondContact O-N 2.99Å; L100-Q104 PolarHBondContact O-NE2 2.72Å; K101-Q104 WeakPolarHBondContact O-CB 3.41Å; K101-Q104 PolarHBondContact O-N 2.77Å; R102-Q104 VanDerWaalsContact C-N 3.33Å; Q104-T106 PolarHBondContact O-N 3.22Å; Q104-T106 VanDerWaalsContact O-N 3.17Å; Q104-K107 PolarHBondContact O-N 2.91Å; Q104-F109 HydrophobicContact CG-CD1 3.77Å; Q104-F109 HydrophobicContact CG-CE1 3.62Å
105P93.9Very high96.9Very high110 Ų11049.3 Ų49.371%0.71425%0.252SS*.THydrogen-bonded Turntrans-53.7-38.3177.3-26.934.5000113.3
106T95.3Very high97.1Very high88 Ų8846.1 Ų46.154%0.5423%0.231SC..THydrogen-bonded Turntrans-91.20.5-179.656.90000113.5Q104 R108Q104-T106 PolarHBondContact O-N 3.22Å; Q104-T106 VanDerWaalsContact O-N 3.17Å; T106-R108 PolarHBondContact O-N 3.39Å; T106-R108 VanDerWaalsContact O-N 3.09Å; T106-R108 VanDerWaalsContact OG1-CG 3.29Å; T106-R108 WeakPolarHBondContact OG1-CG 3.42Å; T106-R108 PolarHBondContact OG1-O 3.24Å
107K97.3Very high97.2Very high138 Ų13844.7 Ų44.760%0.622%0.223SC*.SBendtrans5227.6-175.3-58.5178.5-178.2175.60114.2K101 Q104 G219K101-K107 VanDerWaalsContact CG-O 3.26Å; K101-K107 WeakPolarHBondContact CG-O 3.49Å; K101-K107 WeakPolarHBondContact O-CA 3.42Å; Q104-K107 PolarHBondContact O-N 2.91Å; K107-G219 VanDerWaalsContact O-CA 3.25Å; K107-G219 WeakPolarHBondContact O-CA 3.48Å
108R97.6Very high97.3Very high111 Ų11144.7 Ų44.742%0.41922%0.223SC..SBendtrans-145.1161.7177.464.4-176.9-177.1-177.43.4109.4T106 L216 R217T106-R108 PolarHBondContact O-N 3.39Å; T106-R108 VanDerWaalsContact O-N 3.09Å; T106-R108 VanDerWaalsContact OG1-CG 3.29Å; T106-R108 WeakPolarHBondContact OG1-CG 3.42Å; T106-R108 PolarHBondContact OG1-O 3.24Å; R108-L216 CarbonylContact C-O 3.55Å; R108-L216 WeakPolarHBondContact CA-O 3.43Å; R108-R217 WeakPolarHBondContact CB-O 3.45Å
109F98.3Very high97.4Very high2 Ų243.1 Ų43.11%0.00921%0.212CC..  trans-98154.6170.2-67.1-34.3000111.8L100 K101 Q104 T113 V114 L117 L216 D293 W294L100-F109 HydrophobicContact CB-CE1 4.42Å; L100-F109 HydrophobicContact CB-CZ 3.83Å; K101-F109 HydrophobicContact CB-CE1 4.29Å; K101-F109 HydrophobicContact CB-CE2 4.2Å; K101-F109 HydrophobicContact CB-CZ 3.93Å; Q104-F109 HydrophobicContact CG-CD1 3.77Å; Q104-F109 HydrophobicContact CG-CE1 3.62Å; F109-T113 HydrophobicContact CB-CG2 3.63Å; F109-T113 HydrophobicContact CD1-CG2 4.18Å; F109-T113 HydrophobicContact CD2-CG2 3.71Å; F109-T113 HydrophobicContact CE2-CG2 4.43Å; F109-T113 HydrophobicContact CG-CG2 3.59Å; F109-V114 HydrophobicContact CB-CG2 3.8Å; F109-L117 HydrophobicContact CD2-CD1 4.08Å; F109-L117 HydrophobicContact CE2-CD1 4.19Å; F109-L216 HydrophobicContact CD2-CB 3.99Å; F109-L216 HydrophobicContact CD2-CD1 4.33Å; F109-L216 HydrophobicContact CD2-CD2 3.77Å; F109-L216 HydrophobicContact CD2-CG 4.23Å; F109-L216 HydrophobicContact CE2-CD1 4.49Å; F109-L216 HydrophobicContact CE2-CD2 3.61Å; F109-L216 HydrophobicContact CE2-CG 4.46Å; F109-L216 PolarHBondContact N-O 2.88Å; F109-D293 WeakPolarHBondContact CA-OD2 3.49Å; F109-D293 WeakPolarHBondContact CB-OD2 3.4Å; F109-D293 HydrophobicContact CD1-CB 4.09Å; F109-D293 WeakPolarHBondContact CD1-OD2 3.44Å; F109-W294 HydrophobicContact CD1-CE3 4.44Å; F109-W294 HydrophobicContact CD2-CZ3 4.4Å; F109-W294 AromaticContact CE1-CE3 3.72Å; F109-W294 HydrophobicContact CE1-CE3 3.72Å; F109-W294 HydrophobicContact CE1-CZ3 4.08Å; F109-W294 HydrophobicContact CE2-CE3 4.3Å; F109-W294 AromaticContact CE2-CZ3 3.88Å; F109-W294 HydrophobicContact CE2-CZ3 3.88Å; F109-W294 AromaticContact CZ-CE3 3.66Å; F109-W294 HydrophobicContact CZ-CE3 3.66Å; F109-W294 AromaticContact CZ-CZ3 3.71Å; F109-W294 HydrophobicContact CZ-CZ3 3.71Å
110S97.9Very high97.5Very high46 Ų4641.6 Ų41.632%0.32220%0.204SC..  trans-62.1156.7169.169.40000110.7S112 T113 V114 D293S110-S112 PolarHBondContact O-N 3.43Å; S110-T113 PolarHBondContact O-N 2.84Å; S110-T113 PolarHBondContact OG-N 2.71Å; S110-T113 PolarHBondContact OG-OG1 2.9Å; S110-V114 VanDerWaalsContact O-CG2 3.28Å; S110-V114 WeakPolarHBondContact O-CG2 3.4Å; S110-V114 PolarHBondContact O-N 2.79Å; S110-D293 WeakPolarHBondContact CB-OD1 3.46Å; S110-D293 PolarHBondContact N-OD2 2.69Å; S110-D293 PolarHBondContact OG-OD1 2.85Å; S110-D293 PolarHBondContact OG-OD2 3.44Å
111L98.2Very high97.6Very high33 Ų3340.8 Ų40.817%0.17320%0.199CC..Hα-helixtrans-60.9-36.6175.5-171.861.9000111.5V114 L115 F248 L284L111-V114 PolarHBondContact O-N 3.36Å; L111-L115 HydrophobicContact CD1-CD1 4.26Å; L111-L115 HydrophobicContact CD1-CD2 4.38Å; L111-L115 HydrophobicContact CD1-CG 4.06Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 HydrophobicContact CG-CG 4.19Å; L111-L115 WeakPolarHBondContact O-CG 3.33Å; L111-L115 PolarHBondContact O-N 3.31Å; L111-F248 HydrophobicContact CD1-CD1 3.88Å; L111-F248 HydrophobicContact CD1-CE1 4Å; L111-L284 HydrophobicContact CD2-CD1 3.71Å
112S98.3Very high97.7Very high16 Ų1640.1 Ų40.111%0.11220%0.197CC..Hα-helixtrans-55.5-53.4173.5167.60000111.7S110 V114 R116 I286 E290S110-S112 PolarHBondContact O-N 3.43Å; S112-V114 VanDerWaalsContact C-N 3.34Å; S112-V114 PolarHBondContact O-N 3.27Å; S112-R116 PolarHBondContact O-N 2.73Å; S112-R116 PolarHBondContact O-NE 2.81Å; S112-R116 PolarHBondContact OG-NE 2.87Å; S112-R116 PolarHBondContact OG-NH2 2.83Å; S112-I286 WeakPolarHBondContact OG-CG2 3.37Å; S112-E290 WeakPolarHBondContact CB-OE2 3.42Å; S112-E290 PolarHBondContact OG-OE2 3.15Å
113T98.4Very high97.8Very high0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-59.3-45.3177.8-75.70000111.3F109 S110 L117 Y292 D293 W294F109-T113 HydrophobicContact CB-CG2 3.63Å; F109-T113 HydrophobicContact CD1-CG2 4.18Å; F109-T113 HydrophobicContact CD2-CG2 3.71Å; F109-T113 HydrophobicContact CE2-CG2 4.43Å; F109-T113 HydrophobicContact CG-CG2 3.59Å; S110-T113 PolarHBondContact O-N 2.84Å; S110-T113 PolarHBondContact OG-N 2.71Å; S110-T113 PolarHBondContact OG-OG1 2.9Å; T113-L117 HydrophobicContact CG2-CD1 3.71Å; T113-L117 HydrophobicContact CG2-CG 4.33Å; T113-L117 WeakPolarHBondContact O-CB 3.43Å; T113-L117 VanDerWaalsContact O-CG 3.23Å; T113-L117 WeakPolarHBondContact O-CG 3.23Å; T113-L117 PolarHBondContact O-N 2.88Å; T113-Y292 HydrophobicContact CG2-CD1 3.77Å; T113-Y292 HydrophobicContact CG2-CE1 4.44Å; T113-D293 PolarHBondContact OG1-N 3.04Å; T113-D293 VanDerWaalsContact OG1-N 3.13Å; T113-D293 PolarHBondContact OG1-OD1 2.69Å; T113-D293 PolarHBondContact OG1-OD2 3.36Å; T113-W294 HydrophobicContact CG2-CE3 4.49Å; T113-W294 HydrophobicContact CG2-CH2 4.27Å; T113-W294 HydrophobicContact CG2-CZ3 3.65Å
114V98.7Very high98Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-66-42.7-175.9172.10000112.6F109 S110 L111 S112 L117 G118 M213 L216 R217 F248F109-V114 HydrophobicContact CB-CG2 3.8Å; S110-V114 VanDerWaalsContact O-CG2 3.28Å; S110-V114 WeakPolarHBondContact O-CG2 3.4Å; S110-V114 PolarHBondContact O-N 2.79Å; L111-V114 PolarHBondContact O-N 3.36Å; S112-V114 VanDerWaalsContact C-N 3.34Å; S112-V114 PolarHBondContact O-N 3.27Å; V114-L117 PolarHBondContact O-N 3.16Å; V114-G118 PolarHBondContact O-N 2.93Å; V114-M213 HydrophobicContact CG1-CB 3.76Å; V114-M213 HydrophobicContact CG1-CE 4.24Å; V114-M213 HydrophobicContact CG1-CG 4.22Å; V114-M213 WeakPolarHBondContact CG1-O 3.5Å; V114-L216 HydrophobicContact CG2-CB 4.04Å; V114-R217 HydrophobicContact CG1-CB 4.29Å; V114-R217 HydrophobicContact CG2-CB 3.89Å; V114-F248 HydrophobicContact CG1-CE1 3.85Å; V114-F248 HydrophobicContact CG1-CZ 3.99Å
115L98.8Very high98.1Very high0 Ų028.4 Ų28.40%015%0.15CC..Hα-helixtrans-66.9-45179.8-67.5177.4000111.2L111 L117 G118 V119 M213 I252 I277 A280 M281 L284 I286L111-L115 HydrophobicContact CD1-CD1 4.26Å; L111-L115 HydrophobicContact CD1-CD2 4.38Å; L111-L115 HydrophobicContact CD1-CG 4.06Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 HydrophobicContact CG-CG 4.19Å; L111-L115 WeakPolarHBondContact O-CG 3.33Å; L111-L115 PolarHBondContact O-N 3.31Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.3Å; L115-G118 WeakPolarHBondContact O-CA 3.19Å; L115-G118 PolarHBondContact O-N 3.22Å; L115-V119 PolarHBondContact O-N 3.45Å; L115-M213 HydrophobicContact CD2-CE 4.18Å; L115-I252 HydrophobicContact CD2-CD1 3.93Å; L115-I252 HydrophobicContact CD2-CG1 4.17Å; L115-I277 HydrophobicContact CB-CG2 4Å; L115-I277 HydrophobicContact CD2-CG2 4.2Å; L115-I277 VanDerWaalsContact O-CG2 3.25Å; L115-I277 WeakPolarHBondContact O-CG2 3.45Å; L115-A280 HydrophobicContact CD1-CB 4.31Å; L115-M281 HydrophobicContact CB-CG 3.77Å; L115-M281 HydrophobicContact CB-SD 4.19Å; L115-M281 HydrophobicContact CD1-CG 4.07Å; L115-L284 HydrophobicContact CD1-CD1 4.14Å; L115-I286 HydrophobicContact CD1-CD1 3.85Å
116R98.5Very high98.3Very high1 Ų125 Ų250%0.00412%0.124CC..Hα-helixtrans-62.1-39.7175.9-73.1-179.6-70.4127-6.6112.7S112 G118 V119 Q120 M281 I286 H287 E290 L291 Y292S112-R116 PolarHBondContact O-N 2.73Å; S112-R116 PolarHBondContact O-NE 2.81Å; S112-R116 PolarHBondContact OG-NE 2.87Å; S112-R116 PolarHBondContact OG-NH2 2.83Å; R116-G118 VanDerWaalsContact C-N 3.34Å; R116-V119 PolarHBondContact O-N 3.02Å; R116-Q120 PolarHBondContact O-N 3.48Å; R116-M281 HydrophobicContact CG-CE 3.55Å; R116-M281 HydrophobicContact CG-SD 4.15Å; R116-I286 HydrophobicContact CG-CG2 4.4Å; R116-H287 WeakPolarHBondContact CD-O 3.45Å; R116-E290 PolarHBondContact NH1-O 3.4Å; R116-L291 PolarHBondContact NH2-O 2.78Å; R116-Y292 HydrophobicContact CB-CE1 3.89Å
117L98.7Very high98.4Very high0 Ų021.7 Ų21.70%010%0.103CC..Hα-helixtrans-63.1-40.8171.8-76.5175.5000112L97 F109 T113 V114 L115 V119 Q120 F121 V155 L216 Y292 W294L97-L117 HydrophobicContact CD1-CD1 4.12Å; L97-L117 HydrophobicContact CD1-CD2 3.95Å; L97-L117 HydrophobicContact CD2-CD2 4.33Å; F109-L117 HydrophobicContact CD2-CD1 4.08Å; F109-L117 HydrophobicContact CE2-CD1 4.19Å; T113-L117 HydrophobicContact CG2-CD1 3.71Å; T113-L117 HydrophobicContact CG2-CG 4.33Å; T113-L117 WeakPolarHBondContact O-CB 3.43Å; T113-L117 VanDerWaalsContact O-CG 3.23Å; T113-L117 WeakPolarHBondContact O-CG 3.23Å; T113-L117 PolarHBondContact O-N 2.88Å; V114-L117 PolarHBondContact O-N 3.16Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.3Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 3.04Å; L117-Q120 PolarHBondContact O-N 3.45Å; L117-Q120 VanDerWaalsContact O-N 3.16Å; L117-F121 HydrophobicContact CB-CE1 4.2Å; L117-F121 HydrophobicContact CB-CE2 4.14Å; L117-F121 HydrophobicContact CB-CZ 3.85Å; L117-F121 HydrophobicContact CD1-CZ 4.42Å; L117-F121 HydrophobicContact CD2-CE1 4.18Å; L117-F121 HydrophobicContact CD2-CZ 4.33Å; L117-F121 HydrophobicContact CG-CZ 4.45Å; L117-F121 VanDerWaalsContact O-CD1 3.29Å; L117-F121 WeakPolarHBondContact O-CD1 2.92Å; L117-F121 WeakPolarHBondContact O-CG 3.41Å; L117-F121 PolarHBondContact O-N 3.18Å; L117-V155 HydrophobicContact CD2-CG1 3.48Å; L117-V155 VanDerWaalsContact CD2-CG1 3.48Å; L117-V155 HydrophobicContact CD2-CG2 4.38Å; L117-L216 HydrophobicContact CD1-CD1 4.05Å; L117-Y292 HydrophobicContact CD2-CE1 4.25Å; L117-Y292 HydrophobicContact CG-CE1 4.03Å; L117-W294 HydrophobicContact CD1-CH2 4.13Å; L117-W294 HydrophobicContact CD1-CZ3 4.18Å; L117-W294 HydrophobicContact CD2-CH2 4.1Å; L117-W294 HydrophobicContact CG-CH2 4.39Å
118G98.8Very high98.5Very high0 Ų015.1 Ų15.10%08%0.075CC..Hα-helixtrans-55.4-42.417700000113.1V114 L115 R116 F121 I122V114-G118 PolarHBondContact O-N 2.93Å; L115-G118 WeakPolarHBondContact O-CA 3.19Å; L115-G118 PolarHBondContact O-N 3.22Å; R116-G118 VanDerWaalsContact C-N 3.34Å; G118-F121 PolarHBondContact O-N 3.32Å; G118-I122 WeakPolarHBondContact O-CG1 3.3Å; G118-I122 PolarHBondContact O-N 2.82Å; G118-I122 VanDerWaalsContact O-N 3.14Å
119V98.8Very high98.5Very high2 Ų210 Ų101%0.0126%0.055CC..Hα-helixtrans-57.8-54.6173.81760000110.5L115 R116 L117 F121 I122 E123 I274 I277 R278 M281L115-V119 PolarHBondContact O-N 3.45Å; R116-V119 PolarHBondContact O-N 3.02Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 3.04Å; V119-F121 VanDerWaalsContact C-N 3.3Å; V119-F121 PolarHBondContact O-N 3.41Å; V119-I122 PolarHBondContact O-N 3.31Å; V119-I122 VanDerWaalsContact O-N 3.17Å; V119-E123 HydrophobicContact CG1-CG 4.45Å; V119-E123 WeakPolarHBondContact O-CG 3.46Å; V119-E123 PolarHBondContact O-N 3.19Å; V119-I274 HydrophobicContact CG1-CG2 4.11Å; V119-I277 HydrophobicContact CG2-CB 4.11Å; V119-I277 HydrophobicContact CG2-CG2 3.61Å; V119-R278 HydrophobicContact CG2-CG 4.39Å; V119-M281 HydrophobicContact CG2-SD 4.27Å
120Q98.7Very high98.4Very high12 Ų1217.7 Ų17.76%0.0568%0.084CC..Hα-helixtrans-65.4-31.9-177.7-65.1-166.864.800113.1H72 R116 L117 E123 A124 K153 V155 Y292H72-Q120 PolarHBondContact CE1-OE1 2.83Å; H72-Q120 VanDerWaalsContact CE1-OE1 3.23Å; R116-Q120 PolarHBondContact O-N 3.48Å; L117-Q120 PolarHBondContact O-N 3.45Å; L117-Q120 VanDerWaalsContact O-N 3.16Å; Q120-E123 PolarHBondContact O-N 3.24Å; Q120-A124 WeakPolarHBondContact O-CB 3.25Å; Q120-A124 PolarHBondContact O-N 2.99Å; Q120-K153 PolarHBondContact NE2-O 2.9Å; Q120-V155 HydrophobicContact CB-CG2 3.42Å; Q120-V155 VanDerWaalsContact CB-CG2 3.42Å; Q120-V155 HydrophobicContact CG-CG2 4.26Å; Q120-Y292 PolarHBondContact NE2-OH 2.98Å
121F98.9Very high98.3Very high0 Ų017.4 Ų17.40%08%0.079CC..Hα-helixtrans-63.3-44174.4-65.6-12.9000111.6L97 L117 G118 V119 A124 V125 F143 V155 V209 A212 M213 L216L97-F121 HydrophobicContact CD1-CE1 3.42Å; L97-F121 VanDerWaalsContact CD1-CE1 3.42Å; L97-F121 HydrophobicContact CD1-CZ 3.31Å; L117-F121 HydrophobicContact CB-CE1 4.2Å; L117-F121 HydrophobicContact CB-CE2 4.14Å; L117-F121 HydrophobicContact CB-CZ 3.85Å; L117-F121 HydrophobicContact CD1-CZ 4.42Å; L117-F121 HydrophobicContact CD2-CE1 4.18Å; L117-F121 HydrophobicContact CD2-CZ 4.33Å; L117-F121 HydrophobicContact CG-CZ 4.45Å; L117-F121 VanDerWaalsContact O-CD1 3.29Å; L117-F121 WeakPolarHBondContact O-CD1 2.92Å; L117-F121 WeakPolarHBondContact O-CG 3.41Å; L117-F121 PolarHBondContact O-N 3.18Å; G118-F121 PolarHBondContact O-N 3.32Å; V119-F121 VanDerWaalsContact C-N 3.3Å; V119-F121 PolarHBondContact O-N 3.41Å; F121-A124 PolarHBondContact O-N 2.86Å; F121-V125 WeakPolarHBondContact O-CB 3.48Å; F121-V125 VanDerWaalsContact O-CG2 3.26Å; F121-V125 WeakPolarHBondContact O-CG2 3.5Å; F121-V125 PolarHBondContact O-N 3.15Å; F121-F143 HydrophobicContact CB-CZ 4.09Å; F121-F143 AromaticContact CD1-CD1 3.71Å; F121-F143 HydrophobicContact CD1-CD1 3.71Å; F121-F143 HydrophobicContact CD1-CD2 4.01Å; F121-F143 AromaticContact CD1-CE1 3.51Å; F121-F143 HydrophobicContact CD1-CE1 3.51Å; F121-F143 AromaticContact CD1-CE2 3.81Å; F121-F143 HydrophobicContact CD1-CE2 3.81Å; F121-F143 AromaticContact CD1-CG 3.95Å; F121-F143 HydrophobicContact CD1-CG 3.95Å; F121-F143 AromaticContact CD1-CZ 3.56Å; F121-F143 HydrophobicContact CD1-CZ 3.56Å; F121-F143 HydrophobicContact CE1-CB 4.14Å; F121-F143 AromaticContact CE1-CD1 3.81Å; F121-F143 HydrophobicContact CE1-CD1 3.81Å; F121-F143 AromaticContact CE1-CD2 3.77Å; F121-F143 HydrophobicContact CE1-CD2 3.77Å; F121-F143 HydrophobicContact CE1-CE1 4.08Å; F121-F143 HydrophobicContact CE1-CE2 4.03Å; F121-F143 AromaticContact CE1-CG 3.63Å; F121-F143 HydrophobicContact CE1-CG 3.63Å; F121-F143 HydrophobicContact CE1-CZ 4.19Å; F121-F143 HydrophobicContact CG-CE1 4.27Å; F121-F143 HydrophobicContact CG-CE2 4.12Å; F121-F143 AromaticContact CG-CZ 3.91Å; F121-F143 HydrophobicContact CG-CZ 3.91Å; F121-F143 HydrophobicContact CZ-CD2 4.23Å; F121-F143 HydrophobicContact CZ-CG 4.43Å; F121-V155 HydrophobicContact CD1-CG2 4.22Å; F121-V155 HydrophobicContact CE1-CG2 4.2Å; F121-V209 HydrophobicContact CB-CG1 3.85Å; F121-V209 HydrophobicContact CB-CG2 4.06Å; F121-V209 HydrophobicContact CD2-CG1 4.2Å; F121-A212 HydrophobicContact CE2-CB 4.45Å; F121-M213 HydrophobicContact CD2-CG 4.39Å; F121-L216 HydrophobicContact CE2-CD1 3.95Å; F121-L216 HydrophobicContact CZ-CD1 3.92Å
122I98.9Very high98.3Very high4 Ų416.1 Ų16.12%0.0217%0.074CC..Hα-helixtrans-66.9-43.1178.3-63.6162.9000110.2G118 V119 A124 V125 Q126 L206 V209 Y270 F273 I274 I277G118-I122 WeakPolarHBondContact O-CG1 3.3Å; G118-I122 PolarHBondContact O-N 2.82Å; G118-I122 VanDerWaalsContact O-N 3.14Å; V119-I122 PolarHBondContact O-N 3.31Å; V119-I122 VanDerWaalsContact O-N 3.17Å; I122-A124 PolarHBondContact O-N 2.7Å; I122-V125 PolarHBondContact O-N 3.35Å; I122-Q126 VanDerWaalsContact O-CB 3.25Å; I122-Q126 WeakPolarHBondContact O-CB 3.36Å; I122-Q126 PolarHBondContact O-N 3.3Å; I122-L206 HydrophobicContact CG1-CD2 4.42Å; I122-L206 HydrophobicContact CG2-CD2 4.47Å; I122-V209 HydrophobicContact CG1-CG1 4.14Å; I122-Y270 HydrophobicContact CG2-CD1 4.12Å; I122-F273 HydrophobicContact CD1-CB 3.82Å; I122-I274 HydrophobicContact CB-CD1 4.42Å; I122-I274 HydrophobicContact CB-CG1 4.05Å; I122-I274 HydrophobicContact CD1-CG1 4.35Å; I122-I274 HydrophobicContact CG2-CD1 3.97Å; I122-I274 HydrophobicContact CG2-CG1 3.78Å; I122-I277 HydrophobicContact CD1-CD1 3.53Å
123E98.7Very high98.3Very high31 Ų3116.3 Ų16.315%0.1457%0.072CC..Hα-helixtrans-56.7-48.7175.5-70.1177.5164.400111.1R71 H72 V119 Q120 V125 Q126 D127 I274 R278R71-E123 IonicContact CZ-OE2 2.71Å; R71-E123 IonicContact NH1-OE1 2.63Å; R71-E123 IonicContact NH1-OE2 3.41Å; R71-E123 PolarHBondContact NH1-OE2 2.79Å; H72-E123 IonicContact CE1-OE2 2.69Å; H72-E123 IonicContact NE2-OE2 3.13Å; H72-E123 PolarHBondContact NE2-OE2 3.33Å; V119-E123 HydrophobicContact CG1-CG 4.45Å; V119-E123 WeakPolarHBondContact O-CG 3.46Å; V119-E123 PolarHBondContact O-N 3.19Å; Q120-E123 PolarHBondContact O-N 3.24Å; E123-V125 PolarHBondContact O-N 3.22Å; E123-Q126 PolarHBondContact O-N 2.81Å; E123-D127 PolarHBondContact O-N 3.38Å; E123-I274 HydrophobicContact CG-CD1 3.89Å; E123-R278 IonicContact OE1-NH2 2.69Å
124A98.7Very high98.3Very high2 Ų216.3 Ų16.32%0.0177%0.073CC..Hα-helixtrans-62.3-44.4178.100000113.1H72 Q120 F121 I122 Q126 D127 L128 F143 L157H72-A124 HydrophobicContact CB-CB 3.47Å; H72-A124 VanDerWaalsContact CB-CB 3.47Å; Q120-A124 WeakPolarHBondContact O-CB 3.25Å; Q120-A124 PolarHBondContact O-N 2.99Å; F121-A124 PolarHBondContact O-N 2.86Å; I122-A124 PolarHBondContact O-N 2.7Å; A124-Q126 VanDerWaalsContact C-N 3.35Å; A124-D127 PolarHBondContact O-N 2.79Å; A124-L128 PolarHBondContact O-N 3.42Å; A124-F143 HydrophobicContact CB-CE1 4.17Å; A124-L157 HydrophobicContact CB-CB 4.06Å; A124-L157 HydrophobicContact CB-CD2 4.37Å
125V98.8Very high98.3Very high0 Ų016.3 Ų16.30%07%0.073CC..Hα-helixtrans-66.7-38.1178.3166.20000110.9F121 I122 E123 L128 H129 I138 D205 L206 V209F121-V125 WeakPolarHBondContact O-CB 3.48Å; F121-V125 VanDerWaalsContact O-CG2 3.26Å; F121-V125 WeakPolarHBondContact O-CG2 3.5Å; F121-V125 PolarHBondContact O-N 3.15Å; I122-V125 PolarHBondContact O-N 3.35Å; E123-V125 PolarHBondContact O-N 3.22Å; V125-L128 PolarHBondContact O-N 3.44Å; V125-H129 WeakPolarHBondContact CG1-CE1 3.25Å; V125-H129 WeakPolarHBondContact CG1-ND1 3.15Å; V125-H129 WeakPolarHBondContact O-CB 3.24Å; V125-H129 PolarHBondContact O-N 3.13Å; V125-H129 PolarHBondContact O-ND1 3.09Å; V125-I138 HydrophobicContact CG2-CD1 3.72Å; V125-I138 HydrophobicContact CG2-CG1 4.08Å; V125-D205 HydrophobicContact CG1-CB 3.96Å; V125-L206 HydrophobicContact CG1-CD2 4.1Å; V125-V209 HydrophobicContact CG2-CG2 4.02Å
126Q98.5Very high98.2Very high38 Ų3818.4 Ų18.418%0.1788%0.081CC..Hα-helixtrans-62.8-43.6175.9-174.6-17330.600111.4I122 E123 A124 L128 H129 R130 Y270I122-Q126 VanDerWaalsContact O-CB 3.25Å; I122-Q126 WeakPolarHBondContact O-CB 3.36Å; I122-Q126 PolarHBondContact O-N 3.3Å; E123-Q126 PolarHBondContact O-N 2.81Å; A124-Q126 VanDerWaalsContact C-N 3.35Å; Q126-L128 VanDerWaalsContact C-N 3.34Å; Q126-L128 PolarHBondContact O-N 3.16Å; Q126-H129 PolarHBondContact O-N 3.33Å; Q126-R130 WeakPolarHBondContact O-CB 3.46Å; Q126-R130 PolarHBondContact O-N 2.77Å; Q126-Y270 HydrophobicContact CB-CD1 3.78Å; Q126-Y270 HydrophobicContact CB-CD2 4.48Å; Q126-Y270 HydrophobicContact CB-CE1 4.18Å; Q126-Y270 HydrophobicContact CB-CG 3.96Å; Q126-Y270 HydrophobicContact CG-CD1 3.98Å; Q126-Y270 HydrophobicContact CG-CD2 3.76Å; Q126-Y270 HydrophobicContact CG-CE1 4.42Å; Q126-Y270 HydrophobicContact CG-CE2 4.21Å; Q126-Y270 HydrophobicContact CG-CG 3.65Å
127D98.1Very high98.2Very high19 Ų1919.2 Ų19.210%0.1029%0.085CC..Hα-helixtrans-59-44.4176.7-76.6-14.6000111.6L67 A70 E123 A124 R130L67-D127 HydrophobicContact CD2-CB 4.35Å; A70-D127 HydrophobicContact CB-CB 4.27Å; E123-D127 PolarHBondContact O-N 3.38Å; A124-D127 PolarHBondContact O-N 2.79Å; D127-R130 WeakPolarHBondContact O-CB 3.4Å; D127-R130 PolarHBondContact O-N 2.55Å; D127-R130 IonicContact OD1-CZ 2.83Å; D127-R130 IonicContact OD1-NH1 3.42Å; D127-R130 PolarHBondContact OD1-NH1 2.87Å; D127-R130 IonicContact OD1-NH2 3.14Å; D127-R130 PolarHBondContact OD1-NH2 3.36Å
128L98.4Very high98.2Very high1 Ų119.2 Ų19.21%0.0059%0.085CC..Hα-helixtrans-63.5-45.1174.5-177.766.5000112.2I63 L67 A124 V125 Q126 R130 I131 F133 H135 F160I63-L128 HydrophobicContact CG2-CD1 3.75Å; L67-L128 HydrophobicContact CD1-CD1 4Å; A124-L128 PolarHBondContact O-N 3.42Å; V125-L128 PolarHBondContact O-N 3.44Å; Q126-L128 VanDerWaalsContact C-N 3.34Å; Q126-L128 PolarHBondContact O-N 3.16Å; L128-R130 VanDerWaalsContact C-N 3.25Å; L128-R130 PolarHBondContact O-N 3Å; L128-I131 HydrophobicContact CD1-CD1 4.27Å; L128-I131 HydrophobicContact CD1-CG1 4.45Å; L128-I131 WeakPolarHBondContact O-CG1 3.36Å; L128-I131 PolarHBondContact O-N 3.41Å; L128-F133 CarbonylContact C-O 3.49Å; L128-F133 HydrophobicContact CD1-CB 3.75Å; L128-F133 HydrophobicContact CG-CB 4.09Å; L128-F133 PolarHBondContact O-N 3.19Å; L128-H135 HydrophobicContact CD2-CB 3.55Å; L128-F160 HydrophobicContact CD1-CD1 4.04Å; L128-F160 HydrophobicContact CD1-CE1 4.04Å; L128-F160 HydrophobicContact CD2-CD1 4.34Å; L128-F160 HydrophobicContact CD2-CE1 4.33Å
129H98Very high98.2Very high2 Ų220.6 Ų20.61%0.0099%0.091CC..Hα-helixtrans-62.4-34.5177.9-70.1155.3000112.2V125 Q126 I131 G132 F133 Y166 R202 D205 Y270V125-H129 WeakPolarHBondContact CG1-CE1 3.25Å; V125-H129 WeakPolarHBondContact CG1-ND1 3.15Å; V125-H129 WeakPolarHBondContact O-CB 3.24Å; V125-H129 PolarHBondContact O-N 3.13Å; V125-H129 PolarHBondContact O-ND1 3.09Å; Q126-H129 PolarHBondContact O-N 3.33Å; H129-I131 VanDerWaalsContact C-N 3.27Å; H129-I131 PolarHBondContact O-N 3.11Å; H129-G132 PolarHBondContact O-N 3.27Å; H129-F133 WeakPolarHBondContact CA-O 3.1Å; H129-F133 PolarHBondContact CD2-O 3.43Å; H129-F133 VanDerWaalsContact CD2-O 3.22Å; H129-Y166 WeakPolarHBondContact O-CE1 3.43Å; H129-Y166 PolarHBondContact O-OH 3.49Å; H129-R202 HydrophobicContact CB-CG 4.34Å; H129-R202 PolarHBondContact CE1-O 2.96Å; H129-R202 VanDerWaalsContact CE1-O 3.24Å; H129-R202 WeakPolarHBondContact NE2-CA 3.43Å; H129-D205 IonicContact NE2-OD2 3.7Å; H129-D205 PolarHBondContact NE2-OD2 3Å; H129-Y270 WeakPolarHBondContact CB-OH 3.49Å; H129-Y270 VanDerWaalsContact CG-OH 3.31Å; H129-Y270 AromaticContact ND1-CE1 3.41Å; H129-Y270 WeakPolarHBondContact ND1-CE1 3.46Å; H129-Y270 AromaticContact ND1-CZ 3.47Å; H129-Y270 PolarHBondContact ND1-OH 2.92Å
130R96.1Very high98.1Very high164 Ų16420.5 Ų20.562%0.6199%0.09SC*.Hα-helixtrans-61.1-34.7179-165-176.9-59120.57.7112.2Q126 D127 L128 G132Q126-R130 WeakPolarHBondContact O-CB 3.46Å; Q126-R130 PolarHBondContact O-N 2.77Å; D127-R130 WeakPolarHBondContact O-CB 3.4Å; D127-R130 PolarHBondContact O-N 2.55Å; D127-R130 IonicContact OD1-CZ 2.83Å; D127-R130 IonicContact OD1-NH1 3.42Å; D127-R130 PolarHBondContact OD1-NH1 2.87Å; D127-R130 IonicContact OD1-NH2 3.14Å; D127-R130 PolarHBondContact OD1-NH2 3.36Å; L128-R130 VanDerWaalsContact C-N 3.25Å; L128-R130 PolarHBondContact O-N 3Å; R130-G132 VanDerWaalsContact C-N 3.26Å; R130-G132 PolarHBondContact O-N 3.23Å
131I96Very high98Very high40 Ų4022.1 Ų22.121%0.20510%0.102CC..THydrogen-bonded Turntrans-876.9176.565.1156.3000113.7I63 K66 L67 L128 H129 F133I63-I131 HydrophobicContact CG2-CD1 4.07Å; K66-I131 HydrophobicContact CB-CB 4.41Å; K66-I131 HydrophobicContact CB-CD1 3.78Å; K66-I131 HydrophobicContact CB-CG2 4.27Å; L67-I131 HydrophobicContact CD1-CD1 4.18Å; L67-I131 HydrophobicContact CD2-CD1 3.7Å; L67-I131 HydrophobicContact CD2-CG1 3.95Å; L67-I131 HydrophobicContact CD2-CG2 4.15Å; L67-I131 HydrophobicContact CG-CD1 3.62Å; L67-I131 HydrophobicContact CG-CG1 4.41Å; L128-I131 HydrophobicContact CD1-CD1 4.27Å; L128-I131 HydrophobicContact CD1-CG1 4.45Å; L128-I131 WeakPolarHBondContact O-CG1 3.36Å; L128-I131 PolarHBondContact O-N 3.41Å; H129-I131 VanDerWaalsContact C-N 3.27Å; H129-I131 PolarHBondContact O-N 3.11Å; I131-F133 HydrophobicContact CD1-CD2 3.93Å; I131-F133 HydrophobicContact CD1-CE2 4.4Å; I131-F133 HydrophobicContact CG1-CD2 4.02Å; I131-F133 WeakPolarHBondContact O-CD2 3.43Å
132G97.1Very high98Very high6 Ų622.6 Ų22.66%0.06211%0.105CC..THydrogen-bonded Turntrans85.922.5171.300000115.1H129 R130 R165 Y166 A167H129-G132 PolarHBondContact O-N 3.27Å; R130-G132 VanDerWaalsContact C-N 3.26Å; R130-G132 PolarHBondContact O-N 3.23Å; G132-R165 CarbonylContact O-C 3.53Å; G132-R165 VanDerWaalsContact O-CA 3.31Å; G132-R165 WeakPolarHBondContact O-CA 3.41Å; G132-Y166 VanDerWaalsContact O-CD1 3.24Å; G132-Y166 WeakPolarHBondContact O-CD1 3.45Å; G132-Y166 PolarHBondContact O-N 3.34Å; G132-A167 PolarHBondContact O-N 3.06Å
133F98.2Very high97.9Very high20 Ų2022.4 Ų22.49%0.08810%0.104CC..EExtended strand (participates in β ladder)trans-119.2146.9177.5-72.2-97.5000111.8I63 L128 H129 I131 R164 R165I63-F133 HydrophobicContact CD1-CD1 3.63Å; I63-F133 HydrophobicContact CD1-CE1 3.71Å; I63-F133 HydrophobicContact CD1-CG 4.15Å; I63-F133 HydrophobicContact CD1-CZ 4.28Å; I63-F133 HydrophobicContact CG1-CD1 3.9Å; I63-F133 HydrophobicContact CG1-CD2 4.2Å; I63-F133 HydrophobicContact CG1-CE1 3.71Å; I63-F133 HydrophobicContact CG1-CE2 4.01Å; I63-F133 HydrophobicContact CG1-CG 4.12Å; I63-F133 HydrophobicContact CG1-CZ 3.74Å; L128-F133 CarbonylContact C-O 3.49Å; L128-F133 HydrophobicContact CD1-CB 3.75Å; L128-F133 HydrophobicContact CG-CB 4.09Å; L128-F133 PolarHBondContact O-N 3.19Å; H129-F133 WeakPolarHBondContact CA-O 3.1Å; H129-F133 PolarHBondContact CD2-O 3.43Å; H129-F133 VanDerWaalsContact CD2-O 3.22Å; I131-F133 HydrophobicContact CD1-CD2 3.93Å; I131-F133 HydrophobicContact CD1-CE2 4.4Å; I131-F133 HydrophobicContact CG1-CD2 4.02Å; I131-F133 WeakPolarHBondContact O-CD2 3.43Å; F133-R164 WeakPolarHBondContact CA-O 3.21Å; F133-R165 HydrophobicContact CD1-CB 4.05Å; F133-R165 VanDerWaalsContact CD1-N 3.35Å; F133-R165 HydrophobicContact CE1-CB 3.82Å; F133-R165 VanDerWaalsContact CE2-NH2 3.31Å; F133-R165 HydrophobicContact CZ-CB 4.24Å; F133-R165 VanDerWaalsContact CZ-CZ 3.48Å
134V98.5Very high97.9Very high1 Ų121.4 Ų21.41%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-105.4144.7163.5-69.20000108.7R136 A163 R164 Y166 A200 R202 D205V134-R136 HydrophobicContact CB-CG 4.26Å; V134-R136 HydrophobicContact CG2-CG 3.68Å; V134-A163 CarbonylContact O-C 3.58Å; V134-A163 WeakPolarHBondContact O-CA 3.26Å; V134-A163 WeakPolarHBondContact O-CB 3.49Å; V134-R164 HydrophobicContact CG2-CB 4.16Å; V134-R164 WeakPolarHBondContact CG2-O 3.42Å; V134-R164 PolarHBondContact N-O 3.3Å; V134-R164 PolarHBondContact O-N 3.49Å; V134-Y166 HydrophobicContact CG1-CD1 3.79Å; V134-Y166 HydrophobicContact CG1-CE1 4.44Å; V134-Y166 HydrophobicContact CG1-CG 4.19Å; V134-A200 HydrophobicContact CG2-CB 4.49Å; V134-R202 HydrophobicContact CG1-CG 4.38Å; V134-D205 WeakPolarHBondContact CA-OD2 3.36Å; V134-D205 WeakPolarHBondContact CB-OD2 3.41Å
135H98.5Very high97.8Very high0 Ų022.1 Ų22.10%010%0.103CC..  trans-75.4-48.6-178-165.7-72.5000111.9L128 D137 I138 I158 D159 F160 I162 A163 D205L128-H135 HydrophobicContact CD2-CB 3.55Å; H135-D137 PolarHBondContact ND1-N 2.7Å; H135-D137 PolarHBondContact O-N 3.09Å; H135-I138 HydrophobicContact CB-CD1 3.59Å; H135-I138 HydrophobicContact CB-CG1 3.95Å; H135-I158 PolarHBondContact NE2-O 2.85Å; H135-I158 VanDerWaalsContact NE2-O 3.13Å; H135-D159 PolarHBondContact CE1-O 3.41Å; H135-D159 PolarHBondContact NE2-O 3.33Å; H135-D159 VanDerWaalsContact NE2-O 3.09Å; H135-F160 AromaticContact CD2-CD1 3.86Å; H135-I162 CarbonylContact O-C 3.57Å; H135-A163 WeakPolarHBondContact O-CA 3.4Å; H135-D205 PolarHBondContact N-OD2 3.46Å
136R98.2Very high97.7Very high44 Ų4422.4 Ų22.417%0.16611%0.106CC..SBendtrans67.99.5-178.1-45.5-169.9-65.3155.3-0.6116.2V134 I162 G185 A200 D205V134-R136 HydrophobicContact CB-CG 4.26Å; V134-R136 HydrophobicContact CG2-CG 3.68Å; R136-I162 HydrophobicContact CB-CD1 4.41Å; R136-I162 HydrophobicContact CB-CG1 4.49Å; R136-I162 PolarHBondContact NE-O 3.18Å; R136-I162 PolarHBondContact NH2-O 2.84Å; R136-G185 WeakPolarHBondContact O-CA 3.35Å; R136-A200 HydrophobicContact CG-CB 3.87Å; R136-D205 WeakPolarHBondContact CA-OD1 3.4Å; R136-D205 PolarHBondContact N-OD1 3.33Å
137D97.6Very high97.4Very high17 Ų1725.6 Ų25.69%0.09112%0.116CC..  trans-151.943.6176.1-15529.5000111.9H135 K139 N142 I162 G185 T186H135-D137 PolarHBondContact ND1-N 2.7Å; H135-D137 PolarHBondContact O-N 3.09Å; D137-K139 PolarHBondContact O-N 2.89Å; D137-K139 IonicContact OD1-NZ 2.74Å; D137-K139 WeakPolarHBondContact OD2-CE 2.97Å; D137-K139 IonicContact OD2-NZ 3.19Å; D137-K139 PolarHBondContact OD2-NZ 3.18Å; D137-N142 PolarHBondContact O-ND2 3.13Å; D137-I162 HydrophobicContact CB-CD1 3.66Å; D137-I162 HydrophobicContact CB-CG1 3.98Å; D137-G185 WeakPolarHBondContact OD1-CA 3.44Å; D137-T186 WeakPolarHBondContact OD1-CB 3.37Å; D137-T186 PolarHBondContact OD1-N 3.38Å; D137-T186 PolarHBondContact OD1-OG1 2.71Å
138I98.8Very high96.9Very high0 Ų029.9 Ų29.90%014%0.136CC..  trans-67.1123.2173.4-62.7-58.8000108.8V125 H135 F143 L157 D205 S208 V209V125-I138 HydrophobicContact CG2-CD1 3.72Å; V125-I138 HydrophobicContact CG2-CG1 4.08Å; H135-I138 HydrophobicContact CB-CD1 3.59Å; H135-I138 HydrophobicContact CB-CG1 3.95Å; I138-F143 HydrophobicContact CD1-CZ 4.49Å; I138-F143 HydrophobicContact CG2-CE2 3.93Å; I138-F143 HydrophobicContact CG2-CZ 4.36Å; I138-L157 HydrophobicContact CD1-CD1 3.68Å; I138-L157 HydrophobicContact CD1-CD2 4.05Å; I138-D205 HydrophobicContact CG1-CB 3.99Å; I138-S208 WeakPolarHBondContact O-CB 3.46Å; I138-V209 HydrophobicContact CG2-CG2 3.85Å
139K97.9Very high96.2Very high30 Ų3037 Ų3713%0.1317%0.171CC..  trans-165.7159.1-179.559.7-170.8173.3-1710110.6D137 C141 N142 F143 T186 Y189D137-K139 PolarHBondContact O-N 2.89Å; D137-K139 IonicContact OD1-NZ 2.74Å; D137-K139 WeakPolarHBondContact OD2-CE 2.97Å; D137-K139 IonicContact OD2-NZ 3.19Å; D137-K139 PolarHBondContact OD2-NZ 3.18Å; K139-C141 VanDerWaalsContact C-N 3.27Å; K139-C141 WeakPolarHBondContact CD-SG 3.33Å; K139-C141 WeakPolarHBondContact CE-SG 3.44Å; K139-C141 VanDerWaalsContact CG-SG 3.56Å; K139-C141 PolarHBondContact O-N 3.38Å; K139-C141 VanDerWaalsContact O-N 3.13Å; K139-N142 VanDerWaalsContact CE-ND2 3.29Å; K139-N142 WeakPolarHBondContact CE-ND2 3.31Å; K139-N142 WeakPolarHBondContact CE-OD1 3.36Å; K139-N142 HydrophobicContact CG-CB 4.1Å; K139-N142 PolarHBondContact O-N 2.88Å; K139-F143 WeakPolarHBondContact O-CD2 3.29Å; K139-T186 HydrophobicContact CD-CG2 4.36Å; K139-T186 VanDerWaalsContact CD-OG1 3.27Å; K139-T186 WeakPolarHBondContact CD-OG1 3.48Å; K139-T186 PolarHBondContact NZ-OG1 3.27Å; K139-Y189 HydrophobicContact CB-CD2 3.38Å; K139-Y189 HydrophobicContact CB-CE2 3.53Å; K139-Y189 HydrophobicContact CB-CG 3.94Å; K139-Y189 HydrophobicContact CD-CD2 4.4Å; K139-Y189 HydrophobicContact CD-CE2 4.47Å
140P98.3Very high95.6Very high0 Ų044.9 Ų44.90%021%0.208CC..G310 helixtrans-55.7-33.3-177-28.836.7000115.4L97 N142 F143 Y189 A212 L216L97-P140 HydrophobicContact CB-CB 4.15Å; L97-P140 WeakPolarHBondContact CB-O 3.31Å; L97-P140 PolarHBondContact N-O 3.11Å; P140-N142 VanDerWaalsContact C-N 3.26Å; P140-N142 PolarHBondContact O-N 3.16Å; P140-F143 PolarHBondContact O-N 3.12Å; P140-Y189 VanDerWaalsContact CD-CZ 3.5Å; P140-Y189 HydrophobicContact CG-CE1 4.29Å; P140-A212 HydrophobicContact CG-CB 4.15Å; P140-L216 HydrophobicContact CB-CD2 3.93Å; P140-L216 HydrophobicContact CB-CG 4.46Å; P140-L216 HydrophobicContact CG-CD1 4.49Å; P140-L216 HydrophobicContact CG-CD2 3.99Å; P140-L216 HydrophobicContact CG-CG 4.06Å
141C96.4Very high95.3Very high45 Ų4538.1 Ų38.130%0.30418%0.184SC..G310 helixtrans-74.2-14.5178.259.20000114.4N96 K139 F143N96-C141 WeakPolarHBondContact CB-O 3.28Å; K139-C141 VanDerWaalsContact C-N 3.27Å; K139-C141 WeakPolarHBondContact CD-SG 3.33Å; K139-C141 WeakPolarHBondContact CE-SG 3.44Å; K139-C141 VanDerWaalsContact CG-SG 3.56Å; K139-C141 PolarHBondContact O-N 3.38Å; K139-C141 VanDerWaalsContact O-N 3.13Å; C141-F143 VanDerWaalsContact C-N 3.33Å
142N97.6Very high94.9Very high10 Ų1039.7 Ų39.75%0.05319%0.19CC..G310 helixtrans-94.711.1173.7-73.8-0.3000112.5D137 K139 P140 I158D137-N142 PolarHBondContact O-ND2 3.13Å; K139-N142 VanDerWaalsContact CE-ND2 3.29Å; K139-N142 WeakPolarHBondContact CE-ND2 3.31Å; K139-N142 WeakPolarHBondContact CE-OD1 3.36Å; K139-N142 HydrophobicContact CG-CB 4.1Å; K139-N142 PolarHBondContact O-N 2.88Å; P140-N142 VanDerWaalsContact C-N 3.26Å; P140-N142 PolarHBondContact O-N 3.16Å; N142-I158 HydrophobicContact CB-CG1 4.46Å; N142-I158 VanDerWaalsContact O-CG1 3.28Å; N142-I158 WeakPolarHBondContact O-CG1 3.42Å; N142-I158 PolarHBondContact O-N 3.14Å
143F98.3Very high94.7Very high0 Ų042.7 Ų42.70%020%0.202CC..EExtended strand (participates in β ladder)trans-117.7127.1166.7-72-83000109.5N96 L97 F121 A124 I138 K139 P140 C141 V155 Y156 L157N96-F143 CarbonylContact C-O 3.57Å; N96-F143 WeakPolarHBondContact CA-O 3.33Å; N96-F143 WeakPolarHBondContact CB-O 3.41Å; L97-F143 HydrophobicContact CD1-CB 3.59Å; L97-F143 HydrophobicContact CD1-CG 4.36Å; L97-F143 HydrophobicContact CG-CB 3.89Å; L97-F143 PolarHBondContact N-O 3.21Å; F121-F143 HydrophobicContact CB-CZ 4.09Å; F121-F143 AromaticContact CD1-CD1 3.71Å; F121-F143 HydrophobicContact CD1-CD1 3.71Å; F121-F143 HydrophobicContact CD1-CD2 4.01Å; F121-F143 AromaticContact CD1-CE1 3.51Å; F121-F143 HydrophobicContact CD1-CE1 3.51Å; F121-F143 AromaticContact CD1-CE2 3.81Å; F121-F143 HydrophobicContact CD1-CE2 3.81Å; F121-F143 AromaticContact CD1-CG 3.95Å; F121-F143 HydrophobicContact CD1-CG 3.95Å; F121-F143 AromaticContact CD1-CZ 3.56Å; F121-F143 HydrophobicContact CD1-CZ 3.56Å; F121-F143 HydrophobicContact CE1-CB 4.14Å; F121-F143 AromaticContact CE1-CD1 3.81Å; F121-F143 HydrophobicContact CE1-CD1 3.81Å; F121-F143 AromaticContact CE1-CD2 3.77Å; F121-F143 HydrophobicContact CE1-CD2 3.77Å; F121-F143 HydrophobicContact CE1-CE1 4.08Å; F121-F143 HydrophobicContact CE1-CE2 4.03Å; F121-F143 AromaticContact CE1-CG 3.63Å; F121-F143 HydrophobicContact CE1-CG 3.63Å; F121-F143 HydrophobicContact CE1-CZ 4.19Å; F121-F143 HydrophobicContact CG-CE1 4.27Å; F121-F143 HydrophobicContact CG-CE2 4.12Å; F121-F143 AromaticContact CG-CZ 3.91Å; F121-F143 HydrophobicContact CG-CZ 3.91Å; F121-F143 HydrophobicContact CZ-CD2 4.23Å; F121-F143 HydrophobicContact CZ-CG 4.43Å; A124-F143 HydrophobicContact CB-CE1 4.17Å; I138-F143 HydrophobicContact CD1-CZ 4.49Å; I138-F143 HydrophobicContact CG2-CE2 3.93Å; I138-F143 HydrophobicContact CG2-CZ 4.36Å; K139-F143 WeakPolarHBondContact O-CD2 3.29Å; P140-F143 PolarHBondContact O-N 3.12Å; C141-F143 VanDerWaalsContact C-N 3.33Å; F143-V155 HydrophobicContact CD1-CG2 4.42Å; F143-Y156 VanDerWaalsContact CA-O 3.31Å; F143-Y156 WeakPolarHBondContact CA-O 3.07Å; F143-L157 HydrophobicContact CD1-CB 4.3Å; F143-L157 HydrophobicContact CD1-CD1 4.38Å; F143-L157 HydrophobicContact CE1-CB 3.93Å; F143-L157 HydrophobicContact CE1-CD1 3.89Å; F143-L157 HydrophobicContact CE1-CG 4.43Å; F143-L157 HydrophobicContact CE2-CD1 4.27Å; F143-L157 HydrophobicContact CZ-CD1 3.83Å
144V97.4Very high94.6Very high11 Ų1143.6 Ų43.67%0.06721%0.207CC..EExtended strand (participates in β ladder)trans-116.6149.9175.9-63.90000110.4L74 N96 V155 Y156 I158L74-V144 HydrophobicContact CD1-CG2 3.81Å; N96-V144 HydrophobicContact CB-CG1 3.92Å; V144-V155 CarbonylContact O-C 3.52Å; V144-V155 WeakPolarHBondContact O-CA 3.38Å; V144-Y156 PolarHBondContact N-O 3.13Å; V144-Y156 PolarHBondContact O-N 3.1Å; V144-I158 HydrophobicContact CG1-CD1 3.75Å; V144-I158 HydrophobicContact CG1-CG1 4.43Å; V144-I158 HydrophobicContact CG2-CG2 3.83Å
145I97.3Very high94.5Very high17 Ų1743.5 Ų43.59%0.08721%0.207CC..EExtended strand (participates in β ladder)trans-82.4161.4173.963168.3000111.2G94 P95 L97 L100 L154 V155 W294G94-I145 WeakPolarHBondContact CA-O 3.47Å; G94-I145 PolarHBondContact N-O 2.99Å; P95-I145 PolarHBondContact O-N 3.25Å; L97-I145 HydrophobicContact CD2-CG2 3.91Å; L100-I145 HydrophobicContact CD1-CD1 3.97Å; L100-I145 HydrophobicContact CD1-CG1 4.24Å; L100-I145 HydrophobicContact CD1-CG2 3.64Å; I145-L154 WeakPolarHBondContact CA-O 3.28Å; I145-V155 HydrophobicContact CG2-CG1 4.29Å; I145-W294 HydrophobicContact CG2-CZ2 3.79Å
146G95.7Very high94.5Very high5 Ų544.3 Ų44.35%0.05221%0.21CC..  trans-63.8154.116500000112.7N151 L154G146-N151 VanDerWaalsContact C-OD1 3.28Å; G146-N151 WeakPolarHBondContact CA-O 3.27Å; G146-N151 WeakPolarHBondContact CA-OD1 3.17Å; G146-L154 PolarHBondContact N-O 2.84Å
147R92Very high94.6Very high106 Ų10642.3 Ų42.340%0.420%0.203SC..SBendtrans-96.1-30.3179.7-65.9-179.965.6-1622.5113.5E43 L92 N151E43-R147 IonicContact OE2-CZ 3.29Å; E43-R147 IonicContact OE2-NH1 3.36Å; E43-R147 PolarHBondContact OE2-NH1 3.21Å; E43-R147 VanDerWaalsContact OE2-NH1 3.15Å; E43-R147 IonicContact OE2-NH2 3.26Å; E43-R147 PolarHBondContact OE2-NH2 3.47Å; L92-R147 WeakPolarHBondContact O-CD 3.43Å; R147-N151 PolarHBondContact N-OD1 3.04Å; R147-N151 VanDerWaalsContact N-OD1 3.1Å
148E87.9Confident94.5Very high108 Ų10842.9 Ų42.951%0.50521%0.205SC..SBendtrans-88158-172.8-54.7-53.6146.200110.6E150 N151 Q152E148-E150 WeakPolarHBondContact CB-OE2 3.36Å; E148-E150 PolarHBondContact O-N 2.95Å; E148-N151 WeakPolarHBondContact CA-OD1 3.34Å; E148-N151 PolarHBondContact N-OD1 3.23Å; E148-N151 PolarHBondContact O-N 3.01Å; E148-N151 VanDerWaalsContact O-N 3.13Å; E148-N151 PolarHBondContact O-OD1 2.86Å; E148-N151 VanDerWaalsContact O-OD1 3.07Å; E148-Q152 WeakPolarHBondContact O-CB 3.33Å; E148-Q152 PolarHBondContact O-N 2.84Å
149M83.2Confident94.3Very high152 Ų15245.2 Ų45.275%0.74922%0.217SC*.THydrogen-bonded Turntrans-60.7-31.8-176.2-168.7-178.6-69.700111.9Q152M149-Q152 WeakPolarHBondContact O-CG 3.33Å; M149-Q152 PolarHBondContact O-NE2 3.48Å; M149-Q152 VanDerWaalsContact O-NE2 3.09Å
150E86.4Confident94.2Very high167 Ų16744 Ų4478%0.7821%0.213SC*.THydrogen-bonded Turntrans-75.8-27.5-178.8-58.574.8-163.100112.5E148E148-E150 WeakPolarHBondContact CB-OE2 3.36Å; E148-E150 PolarHBondContact O-N 2.95Å
151N90.1Very high93.9Very high22 Ų2244.9 Ų44.912%0.11822%0.221CC..THydrogen-bonded Turntrans-118.61.2-173.771.99.8000114.8G146 R147 E148 K153 L154 Y156G146-N151 VanDerWaalsContact C-OD1 3.28Å; G146-N151 WeakPolarHBondContact CA-O 3.27Å; G146-N151 WeakPolarHBondContact CA-OD1 3.17Å; R147-N151 PolarHBondContact N-OD1 3.04Å; R147-N151 VanDerWaalsContact N-OD1 3.1Å; E148-N151 WeakPolarHBondContact CA-OD1 3.34Å; E148-N151 PolarHBondContact N-OD1 3.23Å; E148-N151 PolarHBondContact O-N 3.01Å; E148-N151 VanDerWaalsContact O-N 3.13Å; E148-N151 PolarHBondContact O-OD1 2.86Å; E148-N151 VanDerWaalsContact O-OD1 3.07Å; N151-K153 PolarHBondContact O-N 3.46Å; N151-L154 HydrophobicContact CB-CD1 4.17Å; N151-L154 WeakPolarHBondContact O-CB 3.45Å; N151-L154 PolarHBondContact O-N 3.07Å; N151-Y156 WeakPolarHBondContact CB-OH 3.44Å; N151-Y156 PolarHBondContact ND2-OH 2.74Å
152Q86.7Confident93.9Very high73 Ų7345 Ų4534%0.34122%0.218SC..THydrogen-bonded Turntrans-57.2-15.7179.662.3177.7-36.900115.7E148 M149E148-Q152 WeakPolarHBondContact O-CB 3.33Å; E148-Q152 PolarHBondContact O-N 2.84Å; M149-Q152 WeakPolarHBondContact O-CG 3.33Å; M149-Q152 PolarHBondContact O-NE2 3.48Å; M149-Q152 VanDerWaalsContact O-NE2 3.09Å
153K92.6Very high93.8Very high69 Ų6945.5 Ų45.530%0.322%0.224SC..THydrogen-bonded Turntrans-94.7-9.8174.6-66.8-168.6180-171.60113.7Q120 N151 N289 E290 Y292Q120-K153 PolarHBondContact NE2-O 2.9Å; N151-K153 PolarHBondContact O-N 3.46Å; K153-N289 PolarHBondContact NZ-O 3.38Å; K153-E290 PolarHBondContact NZ-O 2.95Å; K153-Y292 HydrophobicContact CB-CE2 4.06Å; K153-Y292 HydrophobicContact CG-CD2 4.48Å; K153-Y292 HydrophobicContact CG-CE2 4.34Å; K153-Y292 WeakPolarHBondContact O-CE2 3.3Å
154L96.6Very high93.7Very high38 Ų3848.3 Ų48.320%0.19923%0.234CC..  trans-85.6142.5175.6-62.5178.7000110.2R71 I145 G146 N151 Y156R71-L154 HydrophobicContact CG-CD2 4.48Å; I145-L154 WeakPolarHBondContact CA-O 3.28Å; G146-L154 PolarHBondContact N-O 2.84Å; N151-L154 HydrophobicContact CB-CD1 4.17Å; N151-L154 WeakPolarHBondContact O-CB 3.45Å; N151-L154 PolarHBondContact O-N 3.07Å; L154-Y156 HydrophobicContact CB-CE2 3.88Å
155V97.8Very high93.7Very high0 Ų050.7 Ų50.70%024%0.242CC..EExtended strand (participates in β ladder)trans-108.4144.4166.4-63.60000110.6H72 L97 L117 Q120 F121 F143 V144 I145H72-V155 WeakPolarHBondContact CB-O 3.08Å; H72-V155 PolarHBondContact ND1-O 3.06Å; L97-V155 HydrophobicContact CD1-CG1 4.35Å; L97-V155 HydrophobicContact CD2-CG1 4.2Å; L117-V155 HydrophobicContact CD2-CG1 3.48Å; L117-V155 VanDerWaalsContact CD2-CG1 3.48Å; L117-V155 HydrophobicContact CD2-CG2 4.38Å; Q120-V155 HydrophobicContact CB-CG2 3.42Å; Q120-V155 VanDerWaalsContact CB-CG2 3.42Å; Q120-V155 HydrophobicContact CG-CG2 4.26Å; F121-V155 HydrophobicContact CD1-CG2 4.22Å; F121-V155 HydrophobicContact CE1-CG2 4.2Å; F143-V155 HydrophobicContact CD1-CG2 4.42Å; V144-V155 CarbonylContact O-C 3.52Å; V144-V155 WeakPolarHBondContact O-CA 3.38Å; I145-V155 HydrophobicContact CG2-CG1 4.29Å
156Y98.5Very high93.7Very high17 Ų1750.8 Ų50.87%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-120.6129.8-177.1-59.9-93.5000109.8H72 L74 F143 V144 N151 L154H72-Y156 CarbonylContact O-C 3.58Å; H72-Y156 WeakPolarHBondContact O-CA 3.5Å; L74-Y156 HydrophobicContact CD2-CD1 3.82Å; L74-Y156 HydrophobicContact CD2-CD2 4.12Å; L74-Y156 HydrophobicContact CD2-CE1 4.21Å; L74-Y156 HydrophobicContact CD2-CE2 4.49Å; L74-Y156 HydrophobicContact CD2-CG 3.77Å; L74-Y156 HydrophobicContact CG-CD1 4.04Å; L74-Y156 HydrophobicContact CG-CG 3.94Å; F143-Y156 VanDerWaalsContact CA-O 3.31Å; F143-Y156 WeakPolarHBondContact CA-O 3.07Å; V144-Y156 PolarHBondContact N-O 3.13Å; V144-Y156 PolarHBondContact O-N 3.1Å; N151-Y156 WeakPolarHBondContact CB-OH 3.44Å; N151-Y156 PolarHBondContact ND2-OH 2.74Å; L154-Y156 HydrophobicContact CB-CE2 3.88Å
157L98.6Very high93.7Very high2 Ų250.9 Ų50.91%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-79129.3172.9179.859.5000109.4H72 A124 I138 F143 F160H72-L157 PolarHBondContact O-N 3.35Å; A124-L157 HydrophobicContact CB-CB 4.06Å; A124-L157 HydrophobicContact CB-CD2 4.37Å; I138-L157 HydrophobicContact CD1-CD1 3.68Å; I138-L157 HydrophobicContact CD1-CD2 4.05Å; F143-L157 HydrophobicContact CD1-CB 4.3Å; F143-L157 HydrophobicContact CD1-CD1 4.38Å; F143-L157 HydrophobicContact CE1-CB 3.93Å; F143-L157 HydrophobicContact CE1-CD1 3.89Å; F143-L157 HydrophobicContact CE1-CG 4.43Å; F143-L157 HydrophobicContact CE2-CD1 4.27Å; F143-L157 HydrophobicContact CZ-CD1 3.83Å; L157-F160 HydrophobicContact CD2-CE1 4.14Å; L157-F160 HydrophobicContact CG-CE1 4.13Å; L157-F160 HydrophobicContact CG-CZ 4.36Å
158I96.5Very high93.7Very high29 Ų2952.8 Ų52.815%0.14925%0.249CC..  trans-127.1170.2-179.662.5161.7000111.4L74 M90 H135 N142 V144L74-I158 HydrophobicContact CD1-CG2 3.75Å; M90-I158 HydrophobicContact CE-CG2 3.95Å; H135-I158 PolarHBondContact NE2-O 2.85Å; H135-I158 VanDerWaalsContact NE2-O 3.13Å; N142-I158 HydrophobicContact CB-CG1 4.46Å; N142-I158 VanDerWaalsContact O-CG1 3.28Å; N142-I158 WeakPolarHBondContact O-CG1 3.42Å; N142-I158 PolarHBondContact O-N 3.14Å; V144-I158 HydrophobicContact CG1-CD1 3.75Å; V144-I158 HydrophobicContact CG1-CG1 4.43Å; V144-I158 HydrophobicContact CG2-CG2 3.83Å
159D94.4Very high93.4Very high48 Ų4854.5 Ų54.526%0.25726%0.257SS..  trans65.475.4175.4-16712.8000115.3K47 E60 H135 G161K47-D159 IonicContact NZ-OD1 3.1Å; K47-D159 PolarHBondContact NZ-OD1 2.8Å; E60-D159 WeakPolarHBondContact OE1-CA 3.46Å; H135-D159 PolarHBondContact CE1-O 3.41Å; H135-D159 PolarHBondContact NE2-O 3.33Å; H135-D159 VanDerWaalsContact NE2-O 3.09Å; D159-G161 PolarHBondContact O-N 3.23Å; D159-G161 PolarHBondContact OD1-N 2.95Å
160F95.8Very high93.3Very high6 Ų659 Ų593%0.02627%0.266CS..  trans-8614.3175.3-50-79.4000113E60 I63 L64 L67 L128 H135 L157 I162 A163E60-F160 HydrophobicContact CB-CB 4.39Å; E60-F160 HydrophobicContact CG-CB 3.98Å; E60-F160 HydrophobicContact CG-CD2 4.13Å; E60-F160 PolarHBondContact OE1-N 3.3Å; I63-F160 HydrophobicContact CD1-CB 3.95Å; I63-F160 HydrophobicContact CG2-CB 4.23Å; I63-F160 HydrophobicContact CG2-CD1 3.89Å; I63-F160 HydrophobicContact CG2-CD2 4.26Å; I63-F160 HydrophobicContact CG2-CE1 4.33Å; I63-F160 HydrophobicContact CG2-CG 3.85Å; L64-F160 HydrophobicContact CD2-CD2 4.04Å; L64-F160 HydrophobicContact CD2-CE2 3.57Å; L64-F160 HydrophobicContact CG-CD2 4.22Å; L64-F160 HydrophobicContact CG-CE2 4.23Å; L67-F160 HydrophobicContact CD1-CE1 4.1Å; L67-F160 HydrophobicContact CD1-CZ 3.97Å; L128-F160 HydrophobicContact CD1-CD1 4.04Å; L128-F160 HydrophobicContact CD1-CE1 4.04Å; L128-F160 HydrophobicContact CD2-CD1 4.34Å; L128-F160 HydrophobicContact CD2-CE1 4.33Å; H135-F160 AromaticContact CD2-CD1 3.86Å; L157-F160 HydrophobicContact CD2-CE1 4.14Å; L157-F160 HydrophobicContact CG-CE1 4.13Å; L157-F160 HydrophobicContact CG-CZ 4.36Å; F160-I162 PolarHBondContact O-N 3.07Å; F160-I162 VanDerWaalsContact O-N 3.12Å; F160-A163 HydrophobicContact CB-CB 4.05Å; F160-A163 VanDerWaalsContact O-CB 3.23Å; F160-A163 WeakPolarHBondContact O-CB 3.46Å; F160-A163 PolarHBondContact O-N 2.77Å
161G93.1Very high93.4Very high17 Ų1755.6 Ų55.618%0.17525%0.252CS..THydrogen-bonded Turntrans-62.2-24.8-17100000114.4D159D159-G161 PolarHBondContact O-N 3.23Å; D159-G161 PolarHBondContact OD1-N 2.95Å
162I94.7Very high93.3Very high47 Ų4756.8 Ų56.824%0.24127%0.27CS..THydrogen-bonded Turntrans-112.412.8172.174.7168.8000113.8H135 R136 D137 F160 R184H135-I162 CarbonylContact O-C 3.57Å; R136-I162 HydrophobicContact CB-CD1 4.41Å; R136-I162 HydrophobicContact CB-CG1 4.49Å; R136-I162 PolarHBondContact NE-O 3.18Å; R136-I162 PolarHBondContact NH2-O 2.84Å; D137-I162 HydrophobicContact CB-CD1 3.66Å; D137-I162 HydrophobicContact CB-CG1 3.98Å; F160-I162 PolarHBondContact O-N 3.07Å; F160-I162 VanDerWaalsContact O-N 3.12Å; I162-R184 HydrophobicContact CD1-CB 4.39Å
163A96.8Very high93.6Very high21 Ų2160 Ų6017%0.17428%0.283CS..  trans-59.9153.817500000111.3I63 V134 H135 F160I63-A163 HydrophobicContact CD1-CB 3.52Å; V134-A163 CarbonylContact O-C 3.58Å; V134-A163 WeakPolarHBondContact O-CA 3.26Å; V134-A163 WeakPolarHBondContact O-CB 3.49Å; H135-A163 WeakPolarHBondContact O-CA 3.4Å; F160-A163 HydrophobicContact CB-CB 4.05Å; F160-A163 VanDerWaalsContact O-CB 3.23Å; F160-A163 WeakPolarHBondContact O-CB 3.46Å; F160-A163 PolarHBondContact O-N 2.77Å
164R96.2Very high93.8Very high60 Ų6059 Ų5923%0.22628%0.281CS..EExtended strand (participates in β ladder)trans-139.5130.2-177.6-178173178.9760111F133 V134 Y166 R178 E199F133-R164 WeakPolarHBondContact CA-O 3.21Å; V134-R164 HydrophobicContact CG2-CB 4.16Å; V134-R164 WeakPolarHBondContact CG2-O 3.42Å; V134-R164 PolarHBondContact N-O 3.3Å; V134-R164 PolarHBondContact O-N 3.49Å; R164-Y166 PolarHBondContact O-N 3.26Å; R164-R178 VanDerWaalsContact CZ-CZ 3.47Å; R164-R178 VanDerWaalsContact CZ-NH2 3.33Å; R164-R178 VanDerWaalsContact NE-NH2 3.19Å; R164-R178 VanDerWaalsContact NH2-CZ 3.3Å; R164-E199 IonicContact CZ-OE2 2.7Å; R164-E199 IonicContact NE-OE1 3.24Å; R164-E199 PolarHBondContact NE-OE1 2.88Å; R164-E199 IonicContact NE-OE2 3.56Å; R164-E199 PolarHBondContact NE-OE2 2.75Å; R164-E199 IonicContact NH2-OE2 3.15Å; R164-E199 PolarHBondContact NH2-OE2 3.24Å
165R96.7Very high93.8Very high61 Ų6162.2 Ų62.223%0.2329%0.29CS..EExtended strand (participates in β ladder)trans-63.3117.1170.7-176.2-179.5-61.9-67.2-3.5109.9G132 F133 A167 R175G132-R165 CarbonylContact O-C 3.53Å; G132-R165 VanDerWaalsContact O-CA 3.31Å; G132-R165 WeakPolarHBondContact O-CA 3.41Å; F133-R165 HydrophobicContact CD1-CB 4.05Å; F133-R165 VanDerWaalsContact CD1-N 3.35Å; F133-R165 HydrophobicContact CE1-CB 3.82Å; F133-R165 VanDerWaalsContact CE2-NH2 3.31Å; F133-R165 HydrophobicContact CZ-CB 4.24Å; F133-R165 VanDerWaalsContact CZ-CZ 3.48Å; R165-A167 WeakPolarHBondContact CD-O 3.45Å; R165-A167 WeakPolarHBondContact CG-O 3.34Å; R165-R175 WeakPolarHBondContact O-CD 3.39Å
166Y97.4Very high93.7Very high19 Ų1971.4 Ų71.48%0.07533%0.33CS..  trans-101-27.2175.679.1-86.7000112.2H129 G132 V134 R164 L174 R175 R202H129-Y166 WeakPolarHBondContact O-CE1 3.43Å; H129-Y166 PolarHBondContact O-OH 3.49Å; G132-Y166 VanDerWaalsContact O-CD1 3.24Å; G132-Y166 WeakPolarHBondContact O-CD1 3.45Å; G132-Y166 PolarHBondContact O-N 3.34Å; V134-Y166 HydrophobicContact CG1-CD1 3.79Å; V134-Y166 HydrophobicContact CG1-CE1 4.44Å; V134-Y166 HydrophobicContact CG1-CG 4.19Å; R164-Y166 PolarHBondContact O-N 3.26Å; Y166-L174 HydrophobicContact CD2-CD2 3.62Å; Y166-L174 HydrophobicContact CE2-CD2 3.64Å; Y166-R175 WeakPolarHBondContact O-CB 3.45Å; Y166-R175 WeakPolarHBondContact O-CG 3.15Å; Y166-R175 PolarHBondContact O-N 3.29Å; Y166-R202 HydrophobicContact CD2-CG 4.45Å; Y166-R202 HydrophobicContact CE1-CG 4.12Å; Y166-R202 HydrophobicContact CE2-CG 3.96Å; Y166-R202 WeakPolarHBondContact OH-CD 3.29Å
167A96.1Very high93.7Very high6 Ų673 Ų735%0.0534%0.343CS..BIsolated β-bridgetrans-119.1144.9177.900000111.9G132 R165 L174G132-A167 PolarHBondContact O-N 3.06Å; R165-A167 WeakPolarHBondContact CD-O 3.45Å; R165-A167 WeakPolarHBondContact CG-O 3.34Å; A167-L174 HydrophobicContact CB-CD2 4.42Å
168R91Very high93.6Very high147 Ų14777.7 Ų77.756%0.55536%0.36SS*.  trans-72.4138.9174.2-71.1178.2178.8-163.1-2.5109.7R170 D171 G172 K173R168-R170 VanDerWaalsContact C-N 3.33Å; R168-R170 PolarHBondContact O-N 3.23Å; R168-D171 WeakPolarHBondContact CB-OD1 3.42Å; R168-G172 WeakPolarHBondContact O-CA 3.43Å; R168-G172 PolarHBondContact O-N 2.95Å; R168-K173 PolarHBondContact N-O 3.47Å
169Q81.9Confident93.5Very high144 Ų14485.7 Ų85.767%0.67339%0.394SS*.THydrogen-bonded Turntrans-69.4-31.2-177.9-175174.64.500112.9K66K66-Q169 VanDerWaalsContact NZ-NE2 3.16Å
170R82.1Confident93.5Very high247 Ų24791.2 Ų91.293%0.93242%0.418SS*.THydrogen-bonded Turntrans-71.7-40.2-171.4-164.6-178-159.9176.66.3113.2R168R168-R170 VanDerWaalsContact C-N 3.33Å; R168-R170 PolarHBondContact O-N 3.23Å
171D88Confident93.4Very high94 Ų9491.8 Ų91.850%0.50342%0.422SS..THydrogen-bonded Turntrans-130.90.7-169.658.8-1.1000112.8R168 K173R168-D171 WeakPolarHBondContact CB-OD1 3.42Å; D171-K173 VanDerWaalsContact CG-CB 3.48Å; D171-K173 PolarHBondContact O-N 2.94Å; D171-K173 VanDerWaalsContact O-N 3.07Å; D171-K173 VanDerWaalsContact OD1-CB 3.32Å; D171-K173 WeakPolarHBondContact OD1-CB 3.38Å; D171-K173 PolarHBondContact OD1-N 3.22Å; D171-K173 WeakPolarHBondContact OD2-CB 3.47Å
172G87.7Confident93.5Very high48 Ų4893.4 Ų93.450%0.49544%0.439SS..  trans66.73.9-174.500000113.9R168 L174R168-G172 WeakPolarHBondContact O-CA 3.43Å; R168-G172 PolarHBondContact O-N 2.95Å; G172-L174 PolarHBondContact O-N 3.49Å
173K93.8Very high93.6Very high139 Ų13993.5 Ų93.560%0.60444%0.437SS*.PPolyproline II helixtrans-68.7133.6-172.7-168.9174.4-175.9170.60110.5R168 D171R168-K173 PolarHBondContact N-O 3.47Å; D171-K173 VanDerWaalsContact CG-CB 3.48Å; D171-K173 PolarHBondContact O-N 2.94Å; D171-K173 VanDerWaalsContact O-N 3.07Å; D171-K173 VanDerWaalsContact OD1-CB 3.32Å; D171-K173 WeakPolarHBondContact OD1-CB 3.38Å; D171-K173 PolarHBondContact OD1-N 3.22Å; D171-K173 WeakPolarHBondContact OD2-CB 3.47Å
174L96.7Very high93.5Very high49 Ų4999.4 Ų99.426%0.25746%0.455SS..BIsolated β-bridgetrans-60.7139.8176.3-57.9-177.7000110.6Y166 A167 G172 E265Y166-L174 HydrophobicContact CD2-CD2 3.62Å; Y166-L174 HydrophobicContact CE2-CD2 3.64Å; A167-L174 HydrophobicContact CB-CD2 4.42Å; G172-L174 PolarHBondContact O-N 3.49Å; L174-E265 HydrophobicContact CD1-CB 4.22Å; L174-E265 HydrophobicContact CD1-CG 4.46Å
175R96.5Very high93.4Very high106 Ų10697.8 Ų97.840%0.446%0.457SS..PPolyproline II helixtrans-72.5141.8169.6-65.4178.875.1156.27.3108.3R165 Y166 Y264R165-R175 WeakPolarHBondContact O-CD 3.39Å; Y166-R175 WeakPolarHBondContact O-CB 3.45Å; Y166-R175 WeakPolarHBondContact O-CG 3.15Å; Y166-R175 PolarHBondContact O-N 3.29Å; R175-Y264 WeakPolarHBondContact O-CE1 3.37Å; R175-Y264 PolarHBondContact O-OH 3.25Å; R175-Y264 VanDerWaalsContact O-OH 3.14Å
176K95.9Very high93.4Very high193 Ų19396.9 Ų96.984%0.83946%0.458SS*.PPolyproline II helixtrans-58.9127.9173.9-171.2174.1-176.9172.90109.5
177P96.8Very high93.4Very high51 Ų5198 Ų9833%0.33147%0.465SS..PPolyproline II helixtrans-64.1140.7178.425.6-33.3000110.3E199 Y264P177-E199 HydrophobicContact CB-CB 3.71Å; P177-E199 HydrophobicContact CB-CG 4.22Å; P177-Y264 HydrophobicContact CB-CD1 4.12Å; P177-Y264 HydrophobicContact CB-CE1 4.09Å; P177-Y264 HydrophobicContact CB-CG 4.47Å; P177-Y264 HydrophobicContact CG-CD1 4.1Å; P177-Y264 HydrophobicContact CG-CE1 4.24Å
178R97Very high93.5Very high100 Ų100100.5 Ų100.538%0.37748%0.475SS..PPolyproline II helixtrans-72.5142.8172.9-69.8174-69.7165.54109.3R164 H180 V181 E199R164-R178 VanDerWaalsContact CZ-CZ 3.47Å; R164-R178 VanDerWaalsContact CZ-NH2 3.33Å; R164-R178 VanDerWaalsContact NE-NH2 3.19Å; R164-R178 VanDerWaalsContact NH2-CZ 3.3Å; R178-H180 VanDerWaalsContact C-N 3.33Å; R178-H180 PolarHBondContact O-N 3.17Å; R178-V181 HydrophobicContact CB-CG2 3.79Å; R178-V181 VanDerWaalsContact NH2-CG1 3.35Å; R178-E199 IonicContact CZ-OE1 3.04Å; R178-E199 IonicContact CZ-OE2 2.71Å; R178-E199 IonicContact NE-OE1 2.75Å; R178-E199 IonicContact NE-OE2 3.72Å; R178-E199 PolarHBondContact NE-OE2 3.19Å; R178-E199 IonicContact NH2-OE1 3.7Å; R178-E199 PolarHBondContact NH2-OE1 3.38Å; R178-E199 IonicContact NH2-OE2 3.53Å; R178-E199 PolarHBondContact NH2-OE2 3.16Å
179K94.7Very high93.8Very high197 Ų19794.3 Ų94.386%0.85745%0.452SS*.SBendtrans-58.9-42-179.1-68.9-173.3176.2-174.90112.9
180H93.8Very high94.6Very high163 Ų16387.8 Ų87.876%0.75542%0.423SS*.  trans-137.5133.9176.5-63.5-63.4000110.4R178R178-H180 VanDerWaalsContact C-N 3.33Å; R178-H180 PolarHBondContact O-N 3.17Å
181V95.5Very high95.4Very high19 Ų1976 Ų7612%0.11538%0.378CS..  trans-127126.1178.6-177.20000108.7R178 G197 E199R178-V181 HydrophobicContact CB-CG2 3.79Å; R178-V181 VanDerWaalsContact NH2-CG1 3.35Å; V181-G197 PolarHBondContact N-O 2.63Å; V181-G197 WeakPolarHBondContact O-CA 3.49Å; V181-E199 HydrophobicContact CG2-CB 4.18Å
182G94.9Very high95.9Very high51 Ų5172.3 Ų72.353%0.52636%0.359SS..  trans-63.8144.5173.200000111.2R184G182-R184 PolarHBondContact O-N 3.24Å
183F96.4Very high96.4Very high48 Ų4871.1 Ų71.121%0.21134%0.341CS..  trans-53.9133.8180-167.7-85.2000111.3G185 L187 A190 I194 K229F183-G185 WeakPolarHBondContact CE1-O 3.4Å; F183-L187 HydrophobicContact CE2-CD1 4.47Å; F183-L187 HydrophobicContact CZ-CD1 4.16Å; F183-A190 HydrophobicContact CE2-CB 3.77Å; F183-A190 HydrophobicContact CZ-CB 3.52Å; F183-I194 HydrophobicContact CD2-CG2 3.74Å; F183-I194 HydrophobicContact CE2-CG2 3.72Å; F183-I194 HydrophobicContact CG-CG2 4.43Å; F183-I194 HydrophobicContact CZ-CG2 4.38Å; F183-K229 HydrophobicContact CB-CD 4.04Å; F183-K229 HydrophobicContact CD2-CD 3.7Å; F183-K229 HydrophobicContact CD2-CG 4.17Å; F183-K229 HydrophobicContact CE2-CD 4.36Å; F183-K229 HydrophobicContact CE2-CG 4.36Å; F183-K229 HydrophobicContact CG-CD 3.9Å
184R93.5Very high96.6Very high146 Ų14665.6 Ų65.655%0.55132%0.318SS*.  trans-142.1148.9175.8-68.9-65.2-175.4-88.14.2107.9I162 G182I162-R184 HydrophobicContact CD1-CB 4.39Å; G182-R184 PolarHBondContact O-N 3.24Å
185G95Very high96.6Very high26 Ų2664.3 Ų64.327%0.26831%0.311SS..SBendtrans93.8-172.8-175.100000112.6R136 D137 F183R136-G185 WeakPolarHBondContact O-CA 3.35Å; D137-G185 WeakPolarHBondContact OD1-CA 3.44Å; F183-G185 WeakPolarHBondContact CE1-O 3.4Å
186T96.2Very high96.6Very high41 Ų4162.9 Ų62.925%0.25231%0.311SS..  trans-92.1124.3-174-57.40000111.6D137 K139 K188 Y189 A190D137-T186 WeakPolarHBondContact OD1-CB 3.37Å; D137-T186 PolarHBondContact OD1-N 3.38Å; D137-T186 PolarHBondContact OD1-OG1 2.71Å; K139-T186 HydrophobicContact CD-CG2 4.36Å; K139-T186 VanDerWaalsContact CD-OG1 3.27Å; K139-T186 WeakPolarHBondContact CD-OG1 3.48Å; K139-T186 PolarHBondContact NZ-OG1 3.27Å; T186-K188 HydrophobicContact CG2-CB 4.35Å; T186-K188 PolarHBondContact O-N 3.15Å; T186-K188 VanDerWaalsContact O-N 3.11Å; T186-Y189 HydrophobicContact CG2-CD2 3.73Å; T186-Y189 HydrophobicContact CG2-CE2 4.03Å; T186-Y189 PolarHBondContact O-N 2.94Å; T186-A190 PolarHBondContact O-N 3.13Å; T186-A190 VanDerWaalsContact O-N 3.1Å
187L97.6Very high96.7Very high43 Ų4354.5 Ų54.523%0.22528%0.279CS..THydrogen-bonded Turntrans-47.2-45.6-175.8-178.862.5000113.4F183 Y189 H195 E226 K229 V232 K236F183-L187 HydrophobicContact CE2-CD1 4.47Å; F183-L187 HydrophobicContact CZ-CD1 4.16Å; L187-Y189 VanDerWaalsContact C-N 3.31Å; L187-Y189 PolarHBondContact O-N 2.65Å; L187-H195 VanDerWaalsContact CD1-CE1 3.41Å; L187-H195 WeakPolarHBondContact CD1-CE1 3.47Å; L187-E226 WeakPolarHBondContact CD2-O 3.42Å; L187-K229 HydrophobicContact CD1-CB 4.14Å; L187-K229 HydrophobicContact CD1-CG 4.01Å; L187-V232 HydrophobicContact CD1-CB 4.23Å; L187-V232 HydrophobicContact CD1-CG1 4.29Å; L187-V232 HydrophobicContact CD1-CG2 4.4Å; L187-V232 HydrophobicContact CD2-CG2 4.12Å; L187-V232 HydrophobicContact CG-CG1 4.44Å; L187-V232 HydrophobicContact CG-CG2 4.25Å; L187-K236 PolarHBondContact O-NZ 2.69Å
188K97.9Very high96.7Very high58 Ų5856.5 Ų56.525%0.25228%0.283SS..THydrogen-bonded Turntrans-57.2-39-178.2179.4174.7-74.4-177.90113.1T186 L221 W223T186-K188 HydrophobicContact CG2-CB 4.35Å; T186-K188 PolarHBondContact O-N 3.15Å; T186-K188 VanDerWaalsContact O-N 3.11Å; K188-L221 HydrophobicContact CD-CD1 4.19Å; K188-L221 HydrophobicContact CG-CD1 3.52Å; K188-W223 PolarHBondContact O-NE1 2.94Å
189Y98.6Very high96.7Very high18 Ų1852.2 Ų52.27%0.07127%0.267CS..THydrogen-bonded Turntrans-108.7-6.9-170.9-50-78.2000114.2K139 P140 T186 L187 S208 Y211 D215 L221K139-Y189 HydrophobicContact CB-CD2 3.38Å; K139-Y189 HydrophobicContact CB-CE2 3.53Å; K139-Y189 HydrophobicContact CB-CG 3.94Å; K139-Y189 HydrophobicContact CD-CD2 4.4Å; K139-Y189 HydrophobicContact CD-CE2 4.47Å; P140-Y189 VanDerWaalsContact CD-CZ 3.5Å; P140-Y189 HydrophobicContact CG-CE1 4.29Å; T186-Y189 HydrophobicContact CG2-CD2 3.73Å; T186-Y189 HydrophobicContact CG2-CE2 4.03Å; T186-Y189 PolarHBondContact O-N 2.94Å; L187-Y189 VanDerWaalsContact C-N 3.31Å; L187-Y189 PolarHBondContact O-N 2.65Å; Y189-S208 WeakPolarHBondContact O-CA 3.42Å; Y189-S208 WeakPolarHBondContact O-CB 3.26Å; Y189-S208 PolarHBondContact O-OG 2.96Å; Y189-Y211 WeakPolarHBondContact O-CD2 3.46Å; Y189-D215 HydrophobicContact CE1-CB 3.92Å; Y189-D215 PolarHBondContact OH-OD2 3.05Å; Y189-L221 HydrophobicContact CD1-CD1 4.07Å; Y189-L221 HydrophobicContact CE1-CD1 4.06Å
190A98.4Very high96.9Very high7 Ų743.1 Ų43.16%0.05823%0.229CC..  trans-64.2142.6-178.900000113F183 T186 I194 K236F183-A190 HydrophobicContact CE2-CB 3.77Å; F183-A190 HydrophobicContact CZ-CB 3.52Å; T186-A190 PolarHBondContact O-N 3.13Å; T186-A190 VanDerWaalsContact O-N 3.1Å; A190-I194 HydrophobicContact CB-CB 4.17Å; A190-I194 HydrophobicContact CB-CG2 4.17Å; A190-K236 WeakPolarHBondContact O-CE 3.4Å; A190-K236 PolarHBondContact O-NZ 2.8Å
191S98.4Very high97.1Very high0 Ų035.4 Ų35.40%019%0.193CC..  trans-69.1161.4178.183.60000112.7N193 I194 H195 D204 W207S191-N193 PolarHBondContact O-N 3.08Å; S191-N193 PolarHBondContact OG-N 3.39Å; S191-I194 PolarHBondContact O-N 3.2Å; S191-I194 VanDerWaalsContact O-N 3.09Å; S191-I194 PolarHBondContact OG-N 2.76Å; S191-H195 PolarHBondContact O-CD2 3.02Å; S191-H195 VanDerWaalsContact O-CD2 3.31Å; S191-H195 PolarHBondContact O-N 3.1Å; S191-D204 WeakPolarHBondContact CB-OD1 3.42Å; S191-D204 VanDerWaalsContact OG-CG 3.3Å; S191-D204 PolarHBondContact OG-OD1 2.82Å; S191-W207 VanDerWaalsContact CB-CB 3.5Å
192P98Very high97.3Very high16 Ų1635.5 Ų35.510%0.10419%0.192CC..Hα-helixtrans-52.2-35.4171.1-27.335.2000114I194 H195 D196 K236 K237P192-I194 PolarHBondContact O-N 2.7Å; P192-H195 WeakPolarHBondContact O-CB 3.49Å; P192-H195 PolarHBondContact O-N 3.31Å; P192-D196 PolarHBondContact O-N 2.93Å; P192-K236 HydrophobicContact CG-CB 4.24Å; P192-K237 HydrophobicContact CB-CG 4.03Å
193N97.9Very high97.4Very high22 Ų2233.3 Ų33.312%0.11817%0.168CC..Hα-helixtrans-65.4-37.1179-65.2-44.1000112.5S191 H195 D196 G197 K198 D204S191-N193 PolarHBondContact O-N 3.08Å; S191-N193 PolarHBondContact OG-N 3.39Å; N193-H195 VanDerWaalsContact C-N 3.32Å; N193-D196 PolarHBondContact O-N 2.75Å; N193-G197 PolarHBondContact O-N 3.31Å; N193-K198 HydrophobicContact CB-CB 4.23Å; N193-K198 HydrophobicContact CB-CD 4.01Å; N193-K198 WeakPolarHBondContact O-CB 3.43Å; N193-K198 PolarHBondContact O-N 2.85Å; N193-K198 VanDerWaalsContact O-N 3.11Å; N193-K198 PolarHBondContact OD1-NZ 3.19Å; N193-D204 WeakPolarHBondContact CB-OD1 3.39Å; N193-D204 PolarHBondContact ND2-OD1 3.35Å
194I98.1Very high97.5Very high23 Ų2331.2 Ų31.212%0.11816%0.159CC..Hα-helixtrans-68-35.5177.6-55.9-52.8000110.9F183 A190 S191 P192 D196 G197 A200 D204F183-I194 HydrophobicContact CD2-CG2 3.74Å; F183-I194 HydrophobicContact CE2-CG2 3.72Å; F183-I194 HydrophobicContact CG-CG2 4.43Å; F183-I194 HydrophobicContact CZ-CG2 4.38Å; A190-I194 HydrophobicContact CB-CB 4.17Å; A190-I194 HydrophobicContact CB-CG2 4.17Å; S191-I194 PolarHBondContact O-N 3.2Å; S191-I194 VanDerWaalsContact O-N 3.09Å; S191-I194 PolarHBondContact OG-N 2.76Å; P192-I194 PolarHBondContact O-N 2.7Å; I194-D196 VanDerWaalsContact C-N 3.26Å; I194-D196 PolarHBondContact O-N 2.8Å; I194-G197 PolarHBondContact O-N 2.94Å; I194-A200 HydrophobicContact CD1-CB 3.57Å; I194-D204 HydrophobicContact CD1-CB 4.23Å; I194-D204 HydrophobicContact CG1-CB 4.32Å
195H97.9Very high97.8Very high23 Ų2324.4 Ų24.411%0.10613%0.133CC..Hα-helixtrans-63.1-33.8172.6-77.1-94.4000112.3L187 S191 P192 N193 G197 K229 G233 K236L187-H195 VanDerWaalsContact CD1-CE1 3.41Å; L187-H195 WeakPolarHBondContact CD1-CE1 3.47Å; S191-H195 PolarHBondContact O-CD2 3.02Å; S191-H195 VanDerWaalsContact O-CD2 3.31Å; S191-H195 PolarHBondContact O-N 3.1Å; P192-H195 WeakPolarHBondContact O-CB 3.49Å; P192-H195 PolarHBondContact O-N 3.31Å; N193-H195 VanDerWaalsContact C-N 3.32Å; H195-G197 PolarHBondContact O-N 2.69Å; H195-K229 PolarHBondContact CE1-O 2.62Å; H195-K229 PolarHBondContact ND1-O 2.89Å; H195-G233 VanDerWaalsContact CG-CA 3.48Å; H195-G233 VanDerWaalsContact ND1-CA 3.33Å; H195-G233 WeakPolarHBondContact ND1-CA 3.47Å; H195-G233 PolarHBondContact ND1-N 3.11Å; H195-K236 PolarHBondContact NE2-NZ 3.41Å
196D96.8Very high98Very high76 Ų7623.4 Ų23.441%0.40612%0.121SC..THydrogen-bonded Turntrans-79-0.9176.9-68.6-17000114.1P192 N193 I194 K198 K237P192-D196 PolarHBondContact O-N 2.93Å; N193-D196 PolarHBondContact O-N 2.75Å; I194-D196 VanDerWaalsContact C-N 3.26Å; I194-D196 PolarHBondContact O-N 2.8Å; D196-K198 VanDerWaalsContact C-N 3.27Å; D196-K198 HydrophobicContact CB-CG 4.15Å; D196-K198 PolarHBondContact O-N 3.07Å; D196-K237 WeakPolarHBondContact OD1-CE 3.21Å; D196-K237 IonicContact OD1-NZ 2.71Å; D196-K237 PolarHBondContact OD1-NZ 3.13Å; D196-K237 WeakPolarHBondContact OD2-CE 3.48Å; D196-K237 IonicContact OD2-NZ 2.98Å; D196-K237 PolarHBondContact OD2-NZ 2.74Å
197G97.3Very high98.1Very high16 Ų1622.1 Ų22.117%0.16511%0.112CC..THydrogen-bonded Turntrans70.222.5-178.700000113.8V181 N193 I194 H195V181-G197 PolarHBondContact N-O 2.63Å; V181-G197 WeakPolarHBondContact O-CA 3.49Å; N193-G197 PolarHBondContact O-N 3.31Å; I194-G197 PolarHBondContact O-N 2.94Å; H195-G197 PolarHBondContact O-N 2.69Å
198K97.4Very high98.2Very high94 Ų9420.5 Ų20.541%0.40910%0.104SC..PPolyproline II helixtrans-73.6160.1171.8-61.7-179.1-175.4174.20110.8N193 D196N193-K198 HydrophobicContact CB-CB 4.23Å; N193-K198 HydrophobicContact CB-CD 4.01Å; N193-K198 WeakPolarHBondContact O-CB 3.43Å; N193-K198 PolarHBondContact O-N 2.85Å; N193-K198 VanDerWaalsContact O-N 3.11Å; N193-K198 PolarHBondContact OD1-NZ 3.19Å; D196-K198 VanDerWaalsContact C-N 3.27Å; D196-K198 HydrophobicContact CB-CG 4.15Å; D196-K198 PolarHBondContact O-N 3.07Å
199E97.5Very high98.2Very high10 Ų1017.9 Ų17.95%0.0479%0.093CC..PPolyproline II helixtrans-68.1132.7172.2-175.971.6-76.600110.2R164 P177 R178 V181 G201 Y264R164-E199 IonicContact CZ-OE2 2.7Å; R164-E199 IonicContact NE-OE1 3.24Å; R164-E199 PolarHBondContact NE-OE1 2.88Å; R164-E199 IonicContact NE-OE2 3.56Å; R164-E199 PolarHBondContact NE-OE2 2.75Å; R164-E199 IonicContact NH2-OE2 3.15Å; R164-E199 PolarHBondContact NH2-OE2 3.24Å; P177-E199 HydrophobicContact CB-CB 3.71Å; P177-E199 HydrophobicContact CB-CG 4.22Å; R178-E199 IonicContact CZ-OE1 3.04Å; R178-E199 IonicContact CZ-OE2 2.71Å; R178-E199 IonicContact NE-OE1 2.75Å; R178-E199 IonicContact NE-OE2 3.72Å; R178-E199 PolarHBondContact NE-OE2 3.19Å; R178-E199 IonicContact NH2-OE1 3.7Å; R178-E199 PolarHBondContact NH2-OE1 3.38Å; R178-E199 IonicContact NH2-OE2 3.53Å; R178-E199 PolarHBondContact NH2-OE2 3.16Å; V181-E199 HydrophobicContact CG2-CB 4.18Å; E199-G201 PolarHBondContact O-N 3.4Å; E199-Y264 HydrophobicContact CB-CE2 4.31Å; E199-Y264 HydrophobicContact CG-CD2 4.43Å; E199-Y264 HydrophobicContact CG-CE2 3.76Å
200A98Very high98.2Very high6 Ų617.2 Ų17.25%0.059%0.091CC..PPolyproline II helixtrans-67.3124179.600000110.8V134 R136 I194 D204 Y264V134-A200 HydrophobicContact CG2-CB 4.49Å; R136-A200 HydrophobicContact CG-CB 3.87Å; I194-A200 HydrophobicContact CD1-CB 3.57Å; A200-D204 VanDerWaalsContact CA-OD2 3.3Å; A200-D204 WeakPolarHBondContact CA-OD2 3.33Å; A200-Y264 WeakPolarHBondContact O-CE2 3.49Å
201G98Very high98.2Very high1 Ų116.9 Ų16.91%0.019%0.088CC..  trans-110.4-175.5172.200000112.5E199 Q203 D204E199-G201 PolarHBondContact O-N 3.4Å; G201-Q203 VanDerWaalsContact C-N 3.27Å; G201-Q203 VanDerWaalsContact CA-OE1 3.27Å; G201-Q203 PolarHBondContact O-N 2.91Å; G201-D204 PolarHBondContact N-OD2 3.25Å; G201-D204 PolarHBondContact O-N 3.33Å; G201-D204 VanDerWaalsContact O-N 3.16Å
202R98.6Very high98.3Very high21 Ų2116.9 Ų16.98%0.0799%0.088CC..Hα-helixtrans-62.4-36-177.9-68168.2-76.7-151.4-2.2112.6H129 V134 Y166 D204 D205 L206 E265 D266 P268 Y270H129-R202 HydrophobicContact CB-CG 4.34Å; H129-R202 PolarHBondContact CE1-O 2.96Å; H129-R202 VanDerWaalsContact CE1-O 3.24Å; H129-R202 WeakPolarHBondContact NE2-CA 3.43Å; V134-R202 HydrophobicContact CG1-CG 4.38Å; Y166-R202 HydrophobicContact CD2-CG 4.45Å; Y166-R202 HydrophobicContact CE1-CG 4.12Å; Y166-R202 HydrophobicContact CE2-CG 3.96Å; Y166-R202 WeakPolarHBondContact OH-CD 3.29Å; R202-D204 PolarHBondContact O-N 3.09Å; R202-D205 PolarHBondContact O-N 3.23Å; R202-L206 PolarHBondContact O-N 2.92Å; R202-E265 PolarHBondContact NH2-O 3.43Å; R202-D266 VanDerWaalsContact CZ-O 3.23Å; R202-D266 PolarHBondContact NE-O 3.44Å; R202-D266 PolarHBondContact NH2-O 3.1Å; R202-P268 HydrophobicContact CB-CG 3.78Å; R202-Y270 WeakPolarHBondContact CD-OH 3.41Å
203Q98.5Very high98.3Very high5 Ų516.3 Ų16.32%0.0238%0.084CC..Hα-helixtrans-62.9-28.7178.174.9-73.28.500112.3G201 L206 W207 L262 Q263G201-Q203 VanDerWaalsContact C-N 3.27Å; G201-Q203 VanDerWaalsContact CA-OE1 3.27Å; G201-Q203 PolarHBondContact O-N 2.91Å; Q203-L206 PolarHBondContact O-N 2.78Å; Q203-W207 PolarHBondContact O-N 3.13Å; Q203-L262 HydrophobicContact CB-CB 3.66Å; Q203-L262 HydrophobicContact CB-CD1 3.99Å; Q203-L262 HydrophobicContact CB-CG 4.49Å; Q203-L262 HydrophobicContact CG-CB 4.17Å; Q203-Q263 PolarHBondContact OE1-O 2.96Å
204D98.8Very high98.3Very high4 Ų415.3 Ų15.32%0.0218%0.079CC..Hα-helixtrans-73.4-34-177.2-59.6-51000112.1S191 N193 I194 A200 G201 R202 L206 W207 S208S191-D204 WeakPolarHBondContact CB-OD1 3.42Å; S191-D204 VanDerWaalsContact OG-CG 3.3Å; S191-D204 PolarHBondContact OG-OD1 2.82Å; N193-D204 WeakPolarHBondContact CB-OD1 3.39Å; N193-D204 PolarHBondContact ND2-OD1 3.35Å; I194-D204 HydrophobicContact CD1-CB 4.23Å; I194-D204 HydrophobicContact CG1-CB 4.32Å; A200-D204 VanDerWaalsContact CA-OD2 3.3Å; A200-D204 WeakPolarHBondContact CA-OD2 3.33Å; G201-D204 PolarHBondContact N-OD2 3.25Å; G201-D204 PolarHBondContact O-N 3.33Å; G201-D204 VanDerWaalsContact O-N 3.16Å; R202-D204 PolarHBondContact O-N 3.09Å; D204-L206 VanDerWaalsContact C-N 3.34Å; D204-W207 WeakPolarHBondContact O-CB 3.48Å; D204-W207 PolarHBondContact O-N 2.86Å; D204-S208 PolarHBondContact O-N 2.78Å; D204-S208 VanDerWaalsContact O-N 3.15Å; D204-S208 PolarHBondContact O-OG 3.27Å
205D98.9Very high98.4Very high2 Ų214.2 Ų14.21%0.0117%0.073CC..Hα-helixtrans-67-36.6170.7-75.4-24.4000111.1V125 H129 V134 H135 R136 I138 R202 S208 V209V125-D205 HydrophobicContact CG1-CB 3.96Å; H129-D205 IonicContact NE2-OD2 3.7Å; H129-D205 PolarHBondContact NE2-OD2 3Å; V134-D205 WeakPolarHBondContact CA-OD2 3.36Å; V134-D205 WeakPolarHBondContact CB-OD2 3.41Å; H135-D205 PolarHBondContact N-OD2 3.46Å; R136-D205 WeakPolarHBondContact CA-OD1 3.4Å; R136-D205 PolarHBondContact N-OD1 3.33Å; I138-D205 HydrophobicContact CG1-CB 3.99Å; R202-D205 PolarHBondContact O-N 3.23Å; D205-S208 WeakPolarHBondContact O-CB 3.43Å; D205-S208 PolarHBondContact O-N 3.41Å; D205-V209 WeakPolarHBondContact O-CG2 3.36Å; D205-V209 PolarHBondContact O-N 3.17Å
206L98.9Very high98.4Very high5 Ų513.1 Ų13.13%0.0267%0.068CC..Hα-helixtrans-71.3-34176.6-64172.8000112.8I122 V125 R202 Q203 D204 S208 V209 L210 L259 P268 Y270 F273I122-L206 HydrophobicContact CG1-CD2 4.42Å; I122-L206 HydrophobicContact CG2-CD2 4.47Å; V125-L206 HydrophobicContact CG1-CD2 4.1Å; R202-L206 PolarHBondContact O-N 2.92Å; Q203-L206 PolarHBondContact O-N 2.78Å; D204-L206 VanDerWaalsContact C-N 3.34Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 3.42Å; L206-V209 WeakPolarHBondContact O-CB 3.32Å; L206-V209 PolarHBondContact O-N 3.16Å; L206-L210 PolarHBondContact O-N 3.44Å; L206-L259 HydrophobicContact CB-CD2 3.61Å; L206-P268 HydrophobicContact CD1-CB 3.42Å; L206-P268 VanDerWaalsContact CD1-CB 3.42Å; L206-P268 HydrophobicContact CD1-CG 3.6Å; L206-Y270 HydrophobicContact CD1-CD1 4.48Å; L206-Y270 HydrophobicContact CD1-CE1 4.14Å; L206-Y270 HydrophobicContact CD2-CD1 4.39Å; L206-Y270 HydrophobicContact CD2-CE1 4.32Å; L206-F273 HydrophobicContact CD1-CE2 4.17Å; L206-F273 HydrophobicContact CD1-CZ 4.45Å
207W98.8Very high98.5Very high15 Ų1511 Ų116%0.0576%0.055CC..Hα-helixtrans-57.3-44.7166.7-89.9106.1000111.4S191 Q203 D204 V209 L210 Y211 L256 L259 K260S191-W207 VanDerWaalsContact CB-CB 3.5Å; Q203-W207 PolarHBondContact O-N 3.13Å; D204-W207 WeakPolarHBondContact O-CB 3.48Å; D204-W207 PolarHBondContact O-N 2.86Å; W207-V209 VanDerWaalsContact C-N 3.33Å; W207-V209 PolarHBondContact O-N 3.17Å; W207-L210 HydrophobicContact CZ3-CD2 4.49Å; W207-L210 PolarHBondContact O-N 2.89Å; W207-Y211 HydrophobicContact CE3-CE1 4.16Å; W207-Y211 HydrophobicContact CE3-CE2 4.01Å; W207-Y211 AromaticContact CE3-CZ 3.62Å; W207-Y211 HydrophobicContact CZ3-CE1 4.25Å; W207-Y211 AromaticContact CZ3-CZ 3.92Å; W207-Y211 WeakPolarHBondContact CZ3-OH 3.49Å; W207-Y211 WeakPolarHBondContact O-CD2 3.33Å; W207-Y211 PolarHBondContact O-N 2.92Å; W207-L256 HydrophobicContact CH2-CD1 3.42Å; W207-L256 VanDerWaalsContact CH2-CD1 3.42Å; W207-L256 HydrophobicContact CZ3-CD1 3.45Å; W207-L256 VanDerWaalsContact CZ3-CD1 3.45Å; W207-L259 HydrophobicContact CD2-CB 4.13Å; W207-L259 HydrophobicContact CD2-CD1 4.22Å; W207-L259 HydrophobicContact CE3-CD1 4.36Å; W207-L259 HydrophobicContact CG-CD1 4.46Å; W207-L259 HydrophobicContact CH2-CB 4.36Å; W207-L259 HydrophobicContact CZ2-CB 3.75Å; W207-L259 PolarHBondContact NE1-O 3.07Å; W207-L259 VanDerWaalsContact NE1-O 3.1Å; W207-K260 HydrophobicContact CH2-CG 4Å; W207-K260 HydrophobicContact CZ2-CG 3.95Å
208S98.9Very high98.5Very high8 Ų813 Ų136%0.0566%0.057CC..Hα-helixtrans-65.5-34.3176.4-65.20000112.9I138 Y189 D204 D205 L206 Y211 A212I138-S208 WeakPolarHBondContact O-CB 3.46Å; Y189-S208 WeakPolarHBondContact O-CA 3.42Å; Y189-S208 WeakPolarHBondContact O-CB 3.26Å; Y189-S208 PolarHBondContact O-OG 2.96Å; D204-S208 PolarHBondContact O-N 2.78Å; D204-S208 VanDerWaalsContact O-N 3.15Å; D204-S208 PolarHBondContact O-OG 3.27Å; D205-S208 WeakPolarHBondContact O-CB 3.43Å; D205-S208 PolarHBondContact O-N 3.41Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 3.42Å; S208-Y211 PolarHBondContact O-N 2.97Å; S208-A212 VanDerWaalsContact O-CB 3.31Å; S208-A212 WeakPolarHBondContact O-CB 3.42Å; S208-A212 PolarHBondContact O-N 3.33Å
209V98.9Very high98.5Very high4 Ų49.7 Ų9.72%0.0245%0.05CC..Hα-helixtrans-59-50170.8169.50000110.9F121 I122 V125 I138 D205 L206 W207 Y211 A212 M213F121-V209 HydrophobicContact CB-CG1 3.85Å; F121-V209 HydrophobicContact CB-CG2 4.06Å; F121-V209 HydrophobicContact CD2-CG1 4.2Å; I122-V209 HydrophobicContact CG1-CG1 4.14Å; V125-V209 HydrophobicContact CG2-CG2 4.02Å; I138-V209 HydrophobicContact CG2-CG2 3.85Å; D205-V209 WeakPolarHBondContact O-CG2 3.36Å; D205-V209 PolarHBondContact O-N 3.17Å; L206-V209 WeakPolarHBondContact O-CB 3.32Å; L206-V209 PolarHBondContact O-N 3.16Å; W207-V209 VanDerWaalsContact C-N 3.33Å; W207-V209 PolarHBondContact O-N 3.17Å; V209-Y211 PolarHBondContact O-N 3.36Å; V209-A212 WeakPolarHBondContact O-CB 3.34Å; V209-A212 PolarHBondContact O-N 3.07Å; V209-A212 VanDerWaalsContact O-N 3.16Å; V209-M213 HydrophobicContact CG1-SD 4.16Å; V209-M213 WeakPolarHBondContact O-CG 3.48Å; V209-M213 PolarHBondContact O-N 3.39Å
210L98.8Very high98.4Very high3 Ų311.5 Ų11.52%0.0166%0.063CC..Hα-helixtrans-58.9-47.7179178.862.2000111.4L206 W207 A212 M213 I214 L245 I252 L256 L259L206-L210 PolarHBondContact O-N 3.44Å; W207-L210 HydrophobicContact CZ3-CD2 4.49Å; W207-L210 PolarHBondContact O-N 2.89Å; L210-A212 VanDerWaalsContact C-N 3.31Å; L210-A212 PolarHBondContact O-N 3.42Å; L210-M213 WeakPolarHBondContact O-CB 3.46Å; L210-M213 PolarHBondContact O-N 3.28Å; L210-I214 HydrophobicContact CD1-CD1 4.15Å; L210-I214 HydrophobicContact CG-CD1 3.93Å; L210-I214 WeakPolarHBondContact O-CD1 3.34Å; L210-I214 VanDerWaalsContact O-CG1 3.29Å; L210-I214 WeakPolarHBondContact O-CG1 3.16Å; L210-I214 PolarHBondContact O-N 3.47Å; L210-L245 HydrophobicContact CD1-CD2 4.28Å; L210-I252 HydrophobicContact CD1-CG2 3.75Å; L210-L256 HydrophobicContact CD2-CB 3.97Å; L210-L256 HydrophobicContact CD2-CD1 3.76Å; L210-L256 HydrophobicContact CD2-CG 4.42Å; L210-L259 HydrophobicContact CB-CD1 4.1Å; L210-L259 HydrophobicContact CD2-CD1 3.88Å
211Y98.8Very high98.4Very high0 Ų011.3 Ų11.30%06%0.061CC..Hα-helixtrans-64-35.1177.3-65.8-35.2000113.1Y189 W207 S208 V209 I214 D215 L221 W223 K236 L244Y189-Y211 WeakPolarHBondContact O-CD2 3.46Å; W207-Y211 HydrophobicContact CE3-CE1 4.16Å; W207-Y211 HydrophobicContact CE3-CE2 4.01Å; W207-Y211 AromaticContact CE3-CZ 3.62Å; W207-Y211 HydrophobicContact CZ3-CE1 4.25Å; W207-Y211 AromaticContact CZ3-CZ 3.92Å; W207-Y211 WeakPolarHBondContact CZ3-OH 3.49Å; W207-Y211 WeakPolarHBondContact O-CD2 3.33Å; W207-Y211 PolarHBondContact O-N 2.92Å; S208-Y211 PolarHBondContact O-N 2.97Å; V209-Y211 PolarHBondContact O-N 3.36Å; Y211-I214 HydrophobicContact CD1-CD1 4.32Å; Y211-I214 PolarHBondContact O-N 3.12Å; Y211-D215 WeakPolarHBondContact O-CB 3.23Å; Y211-D215 PolarHBondContact O-N 3.49Å; Y211-L221 HydrophobicContact CD1-CD2 4.2Å; Y211-W223 HydrophobicContact CD1-CH2 4.09Å; Y211-W223 AromaticContact CD1-CZ2 3.84Å; Y211-W223 HydrophobicContact CD1-CZ2 3.84Å; Y211-W223 AromaticContact CE1-CH2 3.65Å; Y211-W223 HydrophobicContact CE1-CH2 3.65Å; Y211-W223 AromaticContact CE1-CZ2 3.72Å; Y211-W223 HydrophobicContact CE1-CZ2 3.72Å; Y211-W223 HydrophobicContact CE2-CZ2 4.43Å; Y211-W223 HydrophobicContact CG-CZ2 4.29Å; Y211-K236 HydrophobicContact CE2-CD 4.12Å; Y211-L244 HydrophobicContact CE1-CD2 4.37Å
212A98.8Very high98.4Very high0 Ų013.7 Ų13.70%08%0.076CC..Hα-helixtrans-64.3-43.7173.700000111.4F121 P140 S208 V209 L210 I214 D215 L216F121-A212 HydrophobicContact CE2-CB 4.45Å; P140-A212 HydrophobicContact CG-CB 4.15Å; S208-A212 VanDerWaalsContact O-CB 3.31Å; S208-A212 WeakPolarHBondContact O-CB 3.42Å; S208-A212 PolarHBondContact O-N 3.33Å; V209-A212 WeakPolarHBondContact O-CB 3.34Å; V209-A212 PolarHBondContact O-N 3.07Å; V209-A212 VanDerWaalsContact O-N 3.16Å; L210-A212 VanDerWaalsContact C-N 3.31Å; L210-A212 PolarHBondContact O-N 3.42Å; A212-I214 VanDerWaalsContact C-N 3.34Å; A212-I214 PolarHBondContact O-N 3.21Å; A212-D215 PolarHBondContact O-N 3.2Å; A212-L216 WeakPolarHBondContact O-CB 3.2Å; A212-L216 WeakPolarHBondContact O-CG 3.5Å; A212-L216 PolarHBondContact O-N 3.1Å
213M98.8Very high98.3Very high5 Ų513 Ų133%0.0257%0.074CC..Hα-helixtrans-59-45.3175.5-69.2172.968.600111.7V114 L115 F121 V209 L210 L216 R217 F248 I252 I277V114-M213 HydrophobicContact CG1-CB 3.76Å; V114-M213 HydrophobicContact CG1-CE 4.24Å; V114-M213 HydrophobicContact CG1-CG 4.22Å; V114-M213 WeakPolarHBondContact CG1-O 3.5Å; L115-M213 HydrophobicContact CD2-CE 4.18Å; F121-M213 HydrophobicContact CD2-CG 4.39Å; V209-M213 HydrophobicContact CG1-SD 4.16Å; V209-M213 WeakPolarHBondContact O-CG 3.48Å; V209-M213 PolarHBondContact O-N 3.39Å; L210-M213 WeakPolarHBondContact O-CB 3.46Å; L210-M213 PolarHBondContact O-N 3.28Å; M213-L216 PolarHBondContact O-N 2.95Å; M213-R217 WeakPolarHBondContact O-CB 3.29Å; M213-R217 PolarHBondContact O-N 3.47Å; M213-F248 HydrophobicContact CB-CZ 4.49Å; M213-F248 HydrophobicContact CE-CE1 4.49Å; M213-I252 HydrophobicContact CE-CD1 4.36Å; M213-I277 HydrophobicContact CE-CD1 4.17Å; M213-I277 HydrophobicContact SD-CD1 4.41Å
214I98.6Very high98.2Very high0 Ų016.3 Ų16.30%09%0.089CC..Hα-helixtrans-63.5-47178.5-63.9162.6000111L210 Y211 A212 L216 R217 Y218 L221 L244 L245 F248L210-I214 HydrophobicContact CD1-CD1 4.15Å; L210-I214 HydrophobicContact CG-CD1 3.93Å; L210-I214 WeakPolarHBondContact O-CD1 3.34Å; L210-I214 VanDerWaalsContact O-CG1 3.29Å; L210-I214 WeakPolarHBondContact O-CG1 3.16Å; L210-I214 PolarHBondContact O-N 3.47Å; Y211-I214 HydrophobicContact CD1-CD1 4.32Å; Y211-I214 PolarHBondContact O-N 3.12Å; A212-I214 VanDerWaalsContact C-N 3.34Å; A212-I214 PolarHBondContact O-N 3.21Å; I214-L216 VanDerWaalsContact C-N 3.28Å; I214-L216 PolarHBondContact O-N 3.3Å; I214-R217 PolarHBondContact O-N 3.22Å; I214-Y218 HydrophobicContact CG2-CD2 3.56Å; I214-Y218 HydrophobicContact CG2-CE2 3.89Å; I214-Y218 PolarHBondContact O-N 2.94Å; I214-L221 HydrophobicContact CB-CD2 3.93Å; I214-L221 HydrophobicContact CG2-CD2 3.64Å; I214-L244 HydrophobicContact CD1-CD1 3.85Å; I214-L244 HydrophobicContact CD1-CD2 4.22Å; I214-L244 HydrophobicContact CD1-CG 3.79Å; I214-L244 HydrophobicContact CG2-CD1 4.21Å; I214-L245 HydrophobicContact CD1-CD2 3.68Å; I214-L245 HydrophobicContact CG1-CD2 3.79Å; I214-F248 HydrophobicContact CB-CE2 4.49Å; I214-F248 HydrophobicContact CG1-CE2 4.01Å; I214-F248 HydrophobicContact CG1-CZ 4.29Å
215D98.4Very high97.9Very high1 Ų122.6 Ų22.61%0.00512%0.123CC..Hα-helixtrans-61.3-36.5177.2-178.942.8000112.5K101 Y189 Y211 A212 G219 C220 L221K101-D215 PolarHBondContact NZ-O 3.05Å; K101-D215 IonicContact NZ-OD1 3.57Å; K101-D215 PolarHBondContact NZ-OD1 3.16Å; K101-D215 IonicContact NZ-OD2 3.53Å; K101-D215 PolarHBondContact NZ-OD2 3.43Å; K101-D215 VanDerWaalsContact NZ-OD2 3.13Å; Y189-D215 HydrophobicContact CE1-CB 3.92Å; Y189-D215 PolarHBondContact OH-OD2 3.05Å; Y211-D215 WeakPolarHBondContact O-CB 3.23Å; Y211-D215 PolarHBondContact O-N 3.49Å; A212-D215 PolarHBondContact O-N 3.2Å; D215-G219 CarbonylContact O-C 3.56Å; D215-G219 VanDerWaalsContact O-C 3.31Å; D215-G219 WeakPolarHBondContact O-CA 3.47Å; D215-G219 PolarHBondContact O-N 3.4Å; D215-C220 VanDerWaalsContact OD1-CA 3.27Å; D215-C220 WeakPolarHBondContact OD1-CA 3.33Å; D215-L221 HydrophobicContact CB-CD1 4.09Å; D215-L221 HydrophobicContact CB-CG 4.02Å
216L98.6Very high97.9Very high0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-69.5-40.8175.1-71.2175000111.4L97 K101 R108 F109 V114 L117 F121 P140 A212 M213 I214L97-L216 HydrophobicContact CB-CD2 4.46Å; K101-L216 HydrophobicContact CB-CD2 4.19Å; K101-L216 HydrophobicContact CD-CD2 3.88Å; K101-L216 HydrophobicContact CG-CD2 4.46Å; R108-L216 CarbonylContact C-O 3.55Å; R108-L216 WeakPolarHBondContact CA-O 3.43Å; F109-L216 HydrophobicContact CD2-CB 3.99Å; F109-L216 HydrophobicContact CD2-CD1 4.33Å; F109-L216 HydrophobicContact CD2-CD2 3.77Å; F109-L216 HydrophobicContact CD2-CG 4.23Å; F109-L216 HydrophobicContact CE2-CD1 4.49Å; F109-L216 HydrophobicContact CE2-CD2 3.61Å; F109-L216 HydrophobicContact CE2-CG 4.46Å; F109-L216 PolarHBondContact N-O 2.88Å; V114-L216 HydrophobicContact CG2-CB 4.04Å; L117-L216 HydrophobicContact CD1-CD1 4.05Å; F121-L216 HydrophobicContact CE2-CD1 3.95Å; F121-L216 HydrophobicContact CZ-CD1 3.92Å; P140-L216 HydrophobicContact CB-CD2 3.93Å; P140-L216 HydrophobicContact CB-CG 4.46Å; P140-L216 HydrophobicContact CG-CD1 4.49Å; P140-L216 HydrophobicContact CG-CD2 3.99Å; P140-L216 HydrophobicContact CG-CG 4.06Å; A212-L216 WeakPolarHBondContact O-CB 3.2Å; A212-L216 WeakPolarHBondContact O-CG 3.5Å; A212-L216 PolarHBondContact O-N 3.1Å; M213-L216 PolarHBondContact O-N 2.95Å; I214-L216 VanDerWaalsContact C-N 3.28Å; I214-L216 PolarHBondContact O-N 3.3Å
217R98.2Very high97.7Very high32 Ų3227.6 Ų27.612%0.12116%0.164CC..Hα-helixtrans-74-37.7-178.4179.852.3-173.5718114.2R108 V114 M213 I214 D247 F248R108-R217 WeakPolarHBondContact CB-O 3.45Å; V114-R217 HydrophobicContact CG1-CB 4.29Å; V114-R217 HydrophobicContact CG2-CB 3.89Å; M213-R217 WeakPolarHBondContact O-CB 3.29Å; M213-R217 PolarHBondContact O-N 3.47Å; I214-R217 PolarHBondContact O-N 3.22Å; R217-D247 IonicContact CZ-OD2 3.59Å; R217-D247 IonicContact NH1-OD2 3.16Å; R217-D247 VanDerWaalsContact NH2-CB 3.32Å; R217-D247 IonicContact NH2-OD2 2.69Å; R217-D247 PolarHBondContact NH2-OD2 2.94Å; R217-F248 HydrophobicContact CB-CE2 3.8Å; R217-F248 HydrophobicContact CB-CZ 3.53Å; R217-F248 HydrophobicContact CG-CE2 3.76Å; R217-F248 HydrophobicContact CG-CZ 3.8Å
218Y97.8Very high97.6Very high58 Ų5830.6 Ų30.623%0.22718%0.181CC..Hα-helixtrans-101.8-12.1-176.9-61.6-39.2000113.6I214 C220 L244 R246 D247 F248I214-Y218 HydrophobicContact CG2-CD2 3.56Å; I214-Y218 HydrophobicContact CG2-CE2 3.89Å; I214-Y218 PolarHBondContact O-N 2.94Å; Y218-C220 PolarHBondContact O-N 2.92Å; Y218-L244 WeakPolarHBondContact CE2-O 3.34Å; Y218-R246 PolarHBondContact OH-N 3.46Å; Y218-D247 HydrophobicContact CE1-CB 3.9Å; Y218-D247 WeakPolarHBondContact OH-CB 3.43Å; Y218-D247 PolarHBondContact OH-N 3.4Å; Y218-F248 HydrophobicContact CE2-CD2 4.27Å; Y218-F248 AromaticContact CE2-CE2 3.98Å; Y218-F248 HydrophobicContact CE2-CE2 3.98Å; Y218-F248 AromaticContact CZ-CE2 3.95Å; Y218-F248 WeakPolarHBondContact OH-CD2 3.44Å
219G97.2Very high97.5Very high24 Ų2435.1 Ų35.125%0.24720%0.199CC..SBendtrans86.3-25.4-175.600000113.2K101 K107 D215K101-G219 PolarHBondContact NZ-O 3.47Å; K107-G219 VanDerWaalsContact O-CA 3.25Å; K107-G219 WeakPolarHBondContact O-CA 3.48Å; D215-G219 CarbonylContact O-C 3.56Å; D215-G219 VanDerWaalsContact O-C 3.31Å; D215-G219 WeakPolarHBondContact O-CA 3.47Å; D215-G219 PolarHBondContact O-N 3.4Å
220C96.4Very high97.4Very high48 Ų4837.3 Ų37.332%0.32422%0.218SC..SBendtrans-149161.3171.962.70000112.4D215 Y218 H224D215-C220 VanDerWaalsContact OD1-CA 3.27Å; D215-C220 WeakPolarHBondContact OD1-CA 3.33Å; Y218-C220 PolarHBondContact O-N 2.92Å; C220-H224 HydrophobicContact CB-CB 3.9Å
221L97.7Very high97.4Very high1 Ų141.8 Ų41.81%0.00524%0.237CC..  trans-90.9154.7166.8-77.8156.2000110.1K188 Y189 Y211 I214 D215 W223 H224 L244K188-L221 HydrophobicContact CD-CD1 4.19Å; K188-L221 HydrophobicContact CG-CD1 3.52Å; Y189-L221 HydrophobicContact CD1-CD1 4.07Å; Y189-L221 HydrophobicContact CE1-CD1 4.06Å; Y211-L221 HydrophobicContact CD1-CD2 4.2Å; I214-L221 HydrophobicContact CB-CD2 3.93Å; I214-L221 HydrophobicContact CG2-CD2 3.64Å; D215-L221 HydrophobicContact CB-CD1 4.09Å; D215-L221 HydrophobicContact CB-CG 4.02Å; L221-W223 HydrophobicContact CB-CZ2 4.39Å; L221-W223 HydrophobicContact CD1-CZ2 4.4Å; L221-W223 HydrophobicContact CD2-CH2 4.39Å; L221-W223 HydrophobicContact CD2-CZ2 3.92Å; L221-W223 HydrophobicContact CG-CZ2 4.47Å; L221-W223 PolarHBondContact O-N 3.45Å; L221-H224 VanDerWaalsContact O-CB 3.24Å; L221-H224 WeakPolarHBondContact O-CB 3.31Å; L221-H224 PolarHBondContact O-CD2 3.36Å; L221-H224 PolarHBondContact O-N 3.01Å; L221-L244 HydrophobicContact CD2-CD1 4.5Å
222P97.2Very high97.3Very high52 Ų5241.8 Ų41.834%0.33824%0.237SC..THydrogen-bonded Turntrans-53.3-29.6-178.2-29.737.2000114.9W235 I239 L244P222-W235 HydrophobicContact CB-CZ2 4.19Å; P222-W235 WeakPolarHBondContact O-CH2 3.41Å; P222-W235 WeakPolarHBondContact O-CZ3 3.48Å; P222-I239 HydrophobicContact CB-CD1 3.9Å; P222-I239 HydrophobicContact CG-CD1 3.61Å; P222-L244 HydrophobicContact CG-CD1 4.24Å
223W97.7Very high97.3Very high5 Ų542 Ų422%0.01924%0.239CC..THydrogen-bonded Turntrans-100.624.817951.378.1000113.9K188 Y211 L221 D225 E226 V232 W235 K236 I239 L244K188-W223 PolarHBondContact O-NE1 2.94Å; Y211-W223 HydrophobicContact CD1-CH2 4.09Å; Y211-W223 AromaticContact CD1-CZ2 3.84Å; Y211-W223 HydrophobicContact CD1-CZ2 3.84Å; Y211-W223 AromaticContact CE1-CH2 3.65Å; Y211-W223 HydrophobicContact CE1-CH2 3.65Å; Y211-W223 AromaticContact CE1-CZ2 3.72Å; Y211-W223 HydrophobicContact CE1-CZ2 3.72Å; Y211-W223 HydrophobicContact CE2-CZ2 4.43Å; Y211-W223 HydrophobicContact CG-CZ2 4.29Å; L221-W223 HydrophobicContact CB-CZ2 4.39Å; L221-W223 HydrophobicContact CD1-CZ2 4.4Å; L221-W223 HydrophobicContact CD2-CH2 4.39Å; L221-W223 HydrophobicContact CD2-CZ2 3.92Å; L221-W223 HydrophobicContact CG-CZ2 4.47Å; L221-W223 PolarHBondContact O-N 3.45Å; W223-D225 VanDerWaalsContact C-N 3.33Å; W223-D225 PolarHBondContact O-N 3.03Å; W223-E226 HydrophobicContact CB-CB 4.44Å; W223-E226 PolarHBondContact O-N 3.26Å; W223-V232 HydrophobicContact CB-CG1 4.25Å; W223-V232 HydrophobicContact CB-CG2 4.23Å; W223-V232 HydrophobicContact CD2-CG1 4.45Å; W223-V232 HydrophobicContact CG-CG1 3.87Å; W223-W235 HydrophobicContact CB-CD2 4.37Å; W223-W235 HydrophobicContact CB-CE3 3.64Å; W223-W235 HydrophobicContact CB-CZ3 3.92Å; W223-W235 HydrophobicContact CE3-CD2 4.47Å; W223-W235 HydrophobicContact CE3-CG 4.34Å; W223-K236 HydrophobicContact CD2-CG 4.12Å; W223-K236 HydrophobicContact CE3-CG 4.09Å; W223-K236 HydrophobicContact CH2-CG 3.62Å; W223-K236 HydrophobicContact CZ2-CD 4.13Å; W223-K236 VanDerWaalsContact CZ2-CE 3.49Å; W223-K236 HydrophobicContact CZ2-CG 3.63Å; W223-K236 HydrophobicContact CZ3-CG 3.85Å; W223-K236 VanDerWaalsContact NE1-CE 3.31Å; W223-I239 HydrophobicContact CZ3-CD1 4.03Å; W223-I239 HydrophobicContact CZ3-CG2 4.32Å; W223-L244 HydrophobicContact CH2-CD1 4.11Å; W223-L244 HydrophobicContact CZ3-CD1 4.44Å
224H95.3Very high97.3Very high75 Ų7548.8 Ų48.835%0.34726%0.264SS..THydrogen-bonded Turntrans-63.4-31.9-167.968.295000115.7C220 L221C220-H224 HydrophobicContact CB-CB 3.9Å; L221-H224 VanDerWaalsContact O-CB 3.24Å; L221-H224 WeakPolarHBondContact O-CB 3.31Å; L221-H224 PolarHBondContact O-CD2 3.36Å; L221-H224 PolarHBondContact O-N 3.01Å
225D94.1Very high97.2Very high137 Ų13753.2 Ų53.273%0.73328%0.281SS*.THydrogen-bonded Turntrans-103.48.3-179.4-68.2-16.9000112.8W223W223-D225 VanDerWaalsContact C-N 3.33Å; W223-D225 PolarHBondContact O-N 3.03Å
226E97.5Very high97.2Very high47 Ų4753.7 Ų53.722%0.2228%0.283CS..  trans-90.1118.4179.8-177.455.6-102.200111.2L187 W223 D228 K231 V232L187-E226 WeakPolarHBondContact CD2-O 3.42Å; W223-E226 HydrophobicContact CB-CB 4.44Å; W223-E226 PolarHBondContact O-N 3.26Å; E226-D228 WeakPolarHBondContact OE1-CB 3.29Å; E226-D228 PolarHBondContact OE1-N 3.03Å; E226-K231 HydrophobicContact CG-CB 4.28Å; E226-K231 HydrophobicContact CG-CD 4.27Å; E226-K231 HydrophobicContact CG-CG 4.29Å; E226-K231 VanDerWaalsContact OE2-CD 3.23Å; E226-K231 WeakPolarHBondContact OE2-CD 3.49Å; E226-K231 WeakPolarHBondContact OE2-CE 3.34Å; E226-K231 IonicContact OE2-NZ 3.71Å; E226-K231 PolarHBondContact OE2-NZ 3.03Å; E226-V232 HydrophobicContact CB-CG2 3.8Å; E226-V232 HydrophobicContact CG-CG2 3.57Å
227G95.7Very high97.1Very high65 Ų6558.8 Ų58.867%0.6731%0.306SS*.  trans-89.8-20.2179.800000114.3K229G227-K229 PolarHBondContact O-N 3.02Å
228D97.2Very high97Very high78 Ų7862.6 Ų62.642%0.41733%0.332SS..  trans-75.3108.6179.7-178.6-20.5000111.1E226 A230 K231 V232E226-D228 WeakPolarHBondContact OE1-CB 3.29Å; E226-D228 PolarHBondContact OE1-N 3.03Å; D228-A230 VanDerWaalsContact C-N 3.29Å; D228-A230 PolarHBondContact O-N 3.35Å; D228-A230 WeakPolarHBondContact OD1-CA 3.42Å; D228-A230 WeakPolarHBondContact OD1-CB 3.05Å; D228-A230 PolarHBondContact OD1-N 2.99Å; D228-K231 HydrophobicContact CB-CB 3.84Å; D228-K231 PolarHBondContact O-N 3.3Å; D228-K231 VanDerWaalsContact O-N 3.1Å; D228-K231 PolarHBondContact OD1-N 3.19Å; D228-K231 VanDerWaalsContact OD1-N 3.16Å; D228-V232 WeakPolarHBondContact O-CG2 3.42Å; D228-V232 PolarHBondContact O-N 3.15Å
229K96.2Very high97Very high103 Ų10361.2 Ų61.245%0.44833%0.328SS..Hα-helixtrans-54-39.7178.2-173.4-171.569.7-179.80113.7F183 L187 H195 G227 G233F183-K229 HydrophobicContact CB-CD 4.04Å; F183-K229 HydrophobicContact CD2-CD 3.7Å; F183-K229 HydrophobicContact CD2-CG 4.17Å; F183-K229 HydrophobicContact CE2-CD 4.36Å; F183-K229 HydrophobicContact CE2-CG 4.36Å; F183-K229 HydrophobicContact CG-CD 3.9Å; L187-K229 HydrophobicContact CD1-CB 4.14Å; L187-K229 HydrophobicContact CD1-CG 4.01Å; H195-K229 PolarHBondContact CE1-O 2.62Å; H195-K229 PolarHBondContact ND1-O 2.89Å; G227-K229 PolarHBondContact O-N 3.02Å; K229-G233 PolarHBondContact O-N 3.13Å
230A96.7Very high96.9Very high50 Ų5064 Ų6441%0.41334%0.338SS..Hα-helixtrans-72-39.3179.600000111D228 G233 R234D228-A230 VanDerWaalsContact C-N 3.29Å; D228-A230 PolarHBondContact O-N 3.35Å; D228-A230 WeakPolarHBondContact OD1-CA 3.42Å; D228-A230 WeakPolarHBondContact OD1-CB 3.05Å; D228-A230 PolarHBondContact OD1-N 2.99Å; A230-G233 PolarHBondContact O-N 3.28Å; A230-R234 WeakPolarHBondContact O-CG 3.46Å; A230-R234 PolarHBondContact O-N 3.17Å
231K97.8Very high96.9Very high96 Ų9663.2 Ų63.242%0.41733%0.332SS..Hα-helixtrans-65.9-46.8176.9-170.3169.1165.1-156.90111.9E226 D228 G233 R234 W235E226-K231 HydrophobicContact CG-CB 4.28Å; E226-K231 HydrophobicContact CG-CD 4.27Å; E226-K231 HydrophobicContact CG-CG 4.29Å; E226-K231 VanDerWaalsContact OE2-CD 3.23Å; E226-K231 WeakPolarHBondContact OE2-CD 3.49Å; E226-K231 WeakPolarHBondContact OE2-CE 3.34Å; E226-K231 IonicContact OE2-NZ 3.71Å; E226-K231 PolarHBondContact OE2-NZ 3.03Å; D228-K231 HydrophobicContact CB-CB 3.84Å; D228-K231 PolarHBondContact O-N 3.3Å; D228-K231 VanDerWaalsContact O-N 3.1Å; D228-K231 PolarHBondContact OD1-N 3.19Å; D228-K231 VanDerWaalsContact OD1-N 3.16Å; K231-G233 VanDerWaalsContact C-N 3.3Å; K231-G233 PolarHBondContact O-N 2.94Å; K231-R234 PolarHBondContact O-N 3.5Å; K231-W235 WeakPolarHBondContact O-CB 3.42Å; K231-W235 PolarHBondContact O-N 3.39Å
232V98.4Very high96.7Very high0 Ų067 Ų670%036%0.355CS..Hα-helixtrans-58.5-43.3173.8177.10000111.2L187 W223 E226 D228 R234 W235 K236L187-V232 HydrophobicContact CD1-CB 4.23Å; L187-V232 HydrophobicContact CD1-CG1 4.29Å; L187-V232 HydrophobicContact CD1-CG2 4.4Å; L187-V232 HydrophobicContact CD2-CG2 4.12Å; L187-V232 HydrophobicContact CG-CG1 4.44Å; L187-V232 HydrophobicContact CG-CG2 4.25Å; W223-V232 HydrophobicContact CB-CG1 4.25Å; W223-V232 HydrophobicContact CB-CG2 4.23Å; W223-V232 HydrophobicContact CD2-CG1 4.45Å; W223-V232 HydrophobicContact CG-CG1 3.87Å; E226-V232 HydrophobicContact CB-CG2 3.8Å; E226-V232 HydrophobicContact CG-CG2 3.57Å; D228-V232 WeakPolarHBondContact O-CG2 3.42Å; D228-V232 PolarHBondContact O-N 3.15Å; V232-R234 PolarHBondContact O-N 3.29Å; V232-W235 PolarHBondContact O-N 3.38Å; V232-K236 HydrophobicContact CG1-CD 4.1Å; V232-K236 HydrophobicContact CG1-CG 4.47Å; V232-K236 WeakPolarHBondContact O-CG 3.23Å; V232-K236 PolarHBondContact O-N 3.28Å
233G98Very high96.6Very high4 Ų468.5 Ų68.54%0.04136%0.36CS..Hα-helixtrans-62.3-42.117900000113.2H195 K229 A230 K231 K237H195-G233 VanDerWaalsContact CG-CA 3.48Å; H195-G233 VanDerWaalsContact ND1-CA 3.33Å; H195-G233 WeakPolarHBondContact ND1-CA 3.47Å; H195-G233 PolarHBondContact ND1-N 3.11Å; K229-G233 PolarHBondContact O-N 3.13Å; A230-G233 PolarHBondContact O-N 3.28Å; K231-G233 VanDerWaalsContact C-N 3.3Å; K231-G233 PolarHBondContact O-N 2.94Å; G233-K237 WeakPolarHBondContact O-CG 3.19Å
234R97.9Very high96.6Very high148 Ų14868.5 Ų68.556%0.55836%0.361SS*.Hα-helixtrans-63.3-47.5172.9-73.9-171.1-65.2-99.2-0.2111.1A230 K231 V232 K236 K237 T238A230-R234 WeakPolarHBondContact O-CG 3.46Å; A230-R234 PolarHBondContact O-N 3.17Å; K231-R234 PolarHBondContact O-N 3.5Å; V232-R234 PolarHBondContact O-N 3.29Å; R234-K236 VanDerWaalsContact C-N 3.34Å; R234-K236 PolarHBondContact O-N 3.24Å; R234-K237 WeakPolarHBondContact O-CB 3.43Å; R234-K237 PolarHBondContact O-N 3.48Å; R234-T238 PolarHBondContact O-N 3.17Å; R234-T238 VanDerWaalsContact O-N 3.13Å; R234-T238 PolarHBondContact O-OG1 2.98Å
235W97.1Very high96.7Very high94 Ų9465 Ų6536%0.35634%0.344SS..Hα-helixtrans-59.3-43.6-177.3-155.6-8.6000112.3P222 W223 K231 V232 K237 T238 I239P222-W235 HydrophobicContact CB-CZ2 4.19Å; P222-W235 WeakPolarHBondContact O-CH2 3.41Å; P222-W235 WeakPolarHBondContact O-CZ3 3.48Å; W223-W235 HydrophobicContact CB-CD2 4.37Å; W223-W235 HydrophobicContact CB-CE3 3.64Å; W223-W235 HydrophobicContact CB-CZ3 3.92Å; W223-W235 HydrophobicContact CE3-CD2 4.47Å; W223-W235 HydrophobicContact CE3-CG 4.34Å; K231-W235 WeakPolarHBondContact O-CB 3.42Å; K231-W235 PolarHBondContact O-N 3.39Å; V232-W235 PolarHBondContact O-N 3.38Å; W235-K237 PolarHBondContact O-N 3.41Å; W235-T238 PolarHBondContact O-N 2.69Å; W235-I239 WeakPolarHBondContact O-CB 3.29Å; W235-I239 PolarHBondContact O-N 3.14Å
236K97.7Very high96.7Very high10 Ų1066.2 Ų66.24%0.04334%0.339CS..Hα-helixtrans-59.7-26.6176-75.5174.4-179.7170.80114.1L187 A190 P192 H195 Y211 W223 V232 R234L187-K236 PolarHBondContact O-NZ 2.69Å; A190-K236 WeakPolarHBondContact O-CE 3.4Å; A190-K236 PolarHBondContact O-NZ 2.8Å; P192-K236 HydrophobicContact CG-CB 4.24Å; H195-K236 PolarHBondContact NE2-NZ 3.41Å; Y211-K236 HydrophobicContact CE2-CD 4.12Å; W223-K236 HydrophobicContact CD2-CG 4.12Å; W223-K236 HydrophobicContact CE3-CG 4.09Å; W223-K236 HydrophobicContact CH2-CG 3.62Å; W223-K236 HydrophobicContact CZ2-CD 4.13Å; W223-K236 VanDerWaalsContact CZ2-CE 3.49Å; W223-K236 HydrophobicContact CZ2-CG 3.63Å; W223-K236 HydrophobicContact CZ3-CG 3.85Å; W223-K236 VanDerWaalsContact NE1-CE 3.31Å; V232-K236 HydrophobicContact CG1-CD 4.1Å; V232-K236 HydrophobicContact CG1-CG 4.47Å; V232-K236 WeakPolarHBondContact O-CG 3.23Å; V232-K236 PolarHBondContact O-N 3.28Å; R234-K236 VanDerWaalsContact C-N 3.34Å; R234-K236 PolarHBondContact O-N 3.24Å
237K97Very high96.5Very high108 Ų10867.4 Ų67.447%0.4735%0.346SS..Hα-helixtrans-87.7-27.3179-66.1175.2-177.8-172.80113.2P192 D196 G233 R234 W235P192-K237 HydrophobicContact CB-CG 4.03Å; D196-K237 WeakPolarHBondContact OD1-CE 3.21Å; D196-K237 IonicContact OD1-NZ 2.71Å; D196-K237 PolarHBondContact OD1-NZ 3.13Å; D196-K237 WeakPolarHBondContact OD2-CE 3.48Å; D196-K237 IonicContact OD2-NZ 2.98Å; D196-K237 PolarHBondContact OD2-NZ 2.74Å; G233-K237 WeakPolarHBondContact O-CG 3.19Å; R234-K237 WeakPolarHBondContact O-CB 3.43Å; R234-K237 PolarHBondContact O-N 3.48Å; W235-K237 PolarHBondContact O-N 3.41Å
238T96.7Very high96.6Very high112 Ų11264.8 Ų64.869%0.68732%0.317SS*.Hα-helixtrans-108.7-11.8-171.661.60000113.8R234 W235 N240R234-T238 PolarHBondContact O-N 3.17Å; R234-T238 VanDerWaalsContact O-N 3.13Å; R234-T238 PolarHBondContact O-OG1 2.98Å; W235-T238 PolarHBondContact O-N 2.69Å; T238-N240 PolarHBondContact O-N 3.39Å
239I96.4Very high96.6Very high28 Ų2861.8 Ų61.814%0.14430%0.301CS..SBendtrans-61.1136.2179.6-168.3164000110.8P222 W223 W235 P241 L244P222-I239 HydrophobicContact CB-CD1 3.9Å; P222-I239 HydrophobicContact CG-CD1 3.61Å; W223-I239 HydrophobicContact CZ3-CD1 4.03Å; W223-I239 HydrophobicContact CZ3-CG2 4.32Å; W235-I239 WeakPolarHBondContact O-CB 3.29Å; W235-I239 PolarHBondContact O-N 3.14Å; I239-P241 WeakPolarHBondContact O-CD 3.25Å; I239-L244 HydrophobicContact CD1-CB 4.25Å; I239-L244 HydrophobicContact CD1-CD1 4.25Å; I239-L244 HydrophobicContact CG1-CB 4.44Å; I239-L244 HydrophobicContact CG2-CD2 4.17Å
240N96Very high96.7Very high84 Ų8461.2 Ų61.245%0.44930%0.303SS..  trans-66.5125.9174.8-175-22000109.3T238 V242 D243 L244T238-N240 PolarHBondContact O-N 3.39Å; N240-V242 PolarHBondContact O-N 2.86Å; N240-V242 VanDerWaalsContact O-N 3.14Å; N240-V242 WeakPolarHBondContact OD1-CB 3.24Å; N240-V242 PolarHBondContact OD1-N 2.91Å; N240-D243 HydrophobicContact CB-CB 4.43Å; N240-D243 PolarHBondContact O-N 3.27Å; N240-L244 PolarHBondContact O-N 2.92Å; N240-L244 VanDerWaalsContact O-N 3.14Å
241P95.9Very high96.8Very high30 Ų3059.1 Ų59.120%0.19529%0.285CS..Hα-helixtrans-48.2-38.4174.1-32.438.5000114.1I239 D243 L244 L245 Y253 L256I239-P241 WeakPolarHBondContact O-CD 3.25Å; P241-D243 VanDerWaalsContact C-N 3.34Å; P241-D243 PolarHBondContact O-N 2.93Å; P241-L244 PolarHBondContact O-N 3.01Å; P241-L245 WeakPolarHBondContact O-CB 3.39Å; P241-L245 PolarHBondContact O-N 3.4Å; P241-Y253 HydrophobicContact CB-CD1 4.12Å; P241-Y253 HydrophobicContact CB-CE1 4.17Å; P241-Y253 WeakPolarHBondContact O-CE1 3.42Å; P241-L256 HydrophobicContact CB-CD2 3.76Å; P241-L256 HydrophobicContact CG-CD2 4.07Å
242V95Very high96.8Very high80 Ų8054.6 Ų54.649%0.48527%0.265SS..Hα-helixtrans-64.8-37.6-179.6179.10000112N240 R246 Y253N240-V242 PolarHBondContact O-N 2.86Å; N240-V242 VanDerWaalsContact O-N 3.14Å; N240-V242 WeakPolarHBondContact OD1-CB 3.24Å; N240-V242 PolarHBondContact OD1-N 2.91Å; V242-R246 WeakPolarHBondContact O-CA 3.45Å; V242-R246 WeakPolarHBondContact O-CB 3.43Å; V242-R246 PolarHBondContact O-N 3.21Å; V242-Y253 HydrophobicContact CG2-CE1 4.35Å
243D95.1Very high96.8Very high85 Ų8556.7 Ų56.746%0.45527%0.273SS..Hα-helixtrans-73.7-32176-70.6-46.2000112N240 P241 R246N240-D243 HydrophobicContact CB-CB 4.43Å; N240-D243 PolarHBondContact O-N 3.27Å; P241-D243 VanDerWaalsContact C-N 3.34Å; P241-D243 PolarHBondContact O-N 2.93Å; D243-R246 IonicContact OD1-NH2 3.67Å; D243-R246 PolarHBondContact OD1-NH2 3.36Å; D243-R246 VanDerWaalsContact OD1-NH2 3.16Å
244L96.6Very high96.8Very high5 Ų560.5 Ų60.53%0.02629%0.29CS..Hα-helixtrans-75.9-31.3179.9-176.161.1000112.8Y211 I214 Y218 L221 P222 W223 I239 N240 P241Y211-L244 HydrophobicContact CE1-CD2 4.37Å; I214-L244 HydrophobicContact CD1-CD1 3.85Å; I214-L244 HydrophobicContact CD1-CD2 4.22Å; I214-L244 HydrophobicContact CD1-CG 3.79Å; I214-L244 HydrophobicContact CG2-CD1 4.21Å; Y218-L244 WeakPolarHBondContact CE2-O 3.34Å; L221-L244 HydrophobicContact CD2-CD1 4.5Å; P222-L244 HydrophobicContact CG-CD1 4.24Å; W223-L244 HydrophobicContact CH2-CD1 4.11Å; W223-L244 HydrophobicContact CZ3-CD1 4.44Å; I239-L244 HydrophobicContact CD1-CB 4.25Å; I239-L244 HydrophobicContact CD1-CD1 4.25Å; I239-L244 HydrophobicContact CG1-CB 4.44Å; I239-L244 HydrophobicContact CG2-CD2 4.17Å; N240-L244 PolarHBondContact O-N 2.92Å; N240-L244 VanDerWaalsContact O-N 3.14Å; P241-L244 PolarHBondContact O-N 3.01Å
245L97.8Very high96.9Very high0 Ų054 Ų540%027%0.266CS..SBendtrans-124.922-170.5-67179.6000113.4L210 I214 P241 D247 F248 I252 Y253 L256L210-L245 HydrophobicContact CD1-CD2 4.28Å; I214-L245 HydrophobicContact CD1-CD2 3.68Å; I214-L245 HydrophobicContact CG1-CD2 3.79Å; P241-L245 WeakPolarHBondContact O-CB 3.39Å; P241-L245 PolarHBondContact O-N 3.4Å; L245-D247 PolarHBondContact O-N 3.3Å; L245-F248 HydrophobicContact CB-CB 4.2Å; L245-F248 HydrophobicContact CD2-CB 4.26Å; L245-F248 HydrophobicContact CD2-CD2 3.85Å; L245-F248 HydrophobicContact CD2-CE2 4.4Å; L245-F248 HydrophobicContact CD2-CG 4.1Å; L245-F248 WeakPolarHBondContact O-CB 3.39Å; L245-F248 PolarHBondContact O-N 3.19Å; L245-I252 HydrophobicContact CD1-CG2 4.23Å; L245-I252 HydrophobicContact CD2-CG2 3.92Å; L245-Y253 HydrophobicContact CB-CD1 4.31Å; L245-Y253 HydrophobicContact CB-CD2 4.1Å; L245-Y253 HydrophobicContact CB-CE1 3.78Å; L245-Y253 HydrophobicContact CB-CE2 3.54Å; L245-Y253 HydrophobicContact CB-CG 4.46Å; L245-Y253 HydrophobicContact CD1-CD1 4Å; L245-Y253 HydrophobicContact CD1-CD2 4.09Å; L245-Y253 HydrophobicContact CD1-CE1 4.3Å; L245-Y253 HydrophobicContact CD1-CE2 4.38Å; L245-Y253 HydrophobicContact CD1-CG 3.91Å; L245-Y253 WeakPolarHBondContact O-CE2 3.28Å; L245-Y253 PolarHBondContact O-OH 3.2Å; L245-L256 HydrophobicContact CD1-CB 4.05Å; L245-L256 HydrophobicContact CD1-CD2 3.76Å
246R94.6Very high96.9Very high163 Ų16349.7 Ų49.762%0.61525%0.25SS*.THydrogen-bonded Turntrans-43.4-41.4-170.6-173.5178.4-64.7158.81.3116.5Y218 V242 D243Y218-R246 PolarHBondContact OH-N 3.46Å; V242-R246 WeakPolarHBondContact O-CA 3.45Å; V242-R246 WeakPolarHBondContact O-CB 3.43Å; V242-R246 PolarHBondContact O-N 3.21Å; D243-R246 IonicContact OD1-NH2 3.67Å; D243-R246 PolarHBondContact OD1-NH2 3.36Å; D243-R246 VanDerWaalsContact OD1-NH2 3.16Å
247D92.5Very high96.9Very high72 Ų7253.3 Ų53.339%0.38527%0.268SS..THydrogen-bonded Turntrans-105.65.9-176.1-58.6-10.2000112.6R217 Y218 L245R217-D247 IonicContact CZ-OD2 3.59Å; R217-D247 IonicContact NH1-OD2 3.16Å; R217-D247 VanDerWaalsContact NH2-CB 3.32Å; R217-D247 IonicContact NH2-OD2 2.69Å; R217-D247 PolarHBondContact NH2-OD2 2.94Å; Y218-D247 HydrophobicContact CE1-CB 3.9Å; Y218-D247 WeakPolarHBondContact OH-CB 3.43Å; Y218-D247 PolarHBondContact OH-N 3.4Å; L245-D247 PolarHBondContact O-N 3.3Å
248F98.2Very high97Very high11 Ų1150.7 Ų50.75%0.04826%0.26CS..SBendtrans-90.8149.5176.1-79.2-89.5000110.4L111 V114 M213 I214 R217 Y218 L245 I252L111-F248 HydrophobicContact CD1-CD1 3.88Å; L111-F248 HydrophobicContact CD1-CE1 4Å; V114-F248 HydrophobicContact CG1-CE1 3.85Å; V114-F248 HydrophobicContact CG1-CZ 3.99Å; M213-F248 HydrophobicContact CB-CZ 4.49Å; M213-F248 HydrophobicContact CE-CE1 4.49Å; I214-F248 HydrophobicContact CB-CE2 4.49Å; I214-F248 HydrophobicContact CG1-CE2 4.01Å; I214-F248 HydrophobicContact CG1-CZ 4.29Å; R217-F248 HydrophobicContact CB-CE2 3.8Å; R217-F248 HydrophobicContact CB-CZ 3.53Å; R217-F248 HydrophobicContact CG-CE2 3.76Å; R217-F248 HydrophobicContact CG-CZ 3.8Å; Y218-F248 HydrophobicContact CE2-CD2 4.27Å; Y218-F248 AromaticContact CE2-CE2 3.98Å; Y218-F248 HydrophobicContact CE2-CE2 3.98Å; Y218-F248 AromaticContact CZ-CE2 3.95Å; Y218-F248 WeakPolarHBondContact OH-CD2 3.44Å; L245-F248 HydrophobicContact CB-CB 4.2Å; L245-F248 HydrophobicContact CD2-CB 4.26Å; L245-F248 HydrophobicContact CD2-CD2 3.85Å; L245-F248 HydrophobicContact CD2-CE2 4.4Å; L245-F248 HydrophobicContact CD2-CG 4.1Å; L245-F248 WeakPolarHBondContact O-CB 3.39Å; L245-F248 PolarHBondContact O-N 3.19Å; F248-I252 HydrophobicContact CB-CB 4.06Å; F248-I252 HydrophobicContact CB-CG1 4.33Å; F248-I252 HydrophobicContact CB-CG2 4.22Å; F248-I252 HydrophobicContact CD1-CB 4.26Å; F248-I252 HydrophobicContact CD1-CG1 3.95Å; F248-I252 HydrophobicContact CD1-CG2 3.98Å; F248-I252 HydrophobicContact CG-CB 4.49Å; F248-I252 HydrophobicContact CG-CG2 4.23Å
249P97.8Very high97Very high14 Ų1445.4 Ų45.49%0.09123%0.228CC..  trans-73.3156.9177.229.5-30.9000111.3E251 I252 A280 L284P249-E251 WeakPolarHBondContact CB-OE2 3.39Å; P249-E251 PolarHBondContact O-N 2.94Å; P249-I252 HydrophobicContact CG-CG1 4.03Å; P249-I252 WeakPolarHBondContact O-CB 3.39Å; P249-I252 PolarHBondContact O-N 3.29Å; P249-A280 HydrophobicContact CB-CB 4.04Å; P249-A280 HydrophobicContact CG-CB 3.42Å; P249-A280 VanDerWaalsContact CG-CB 3.42Å; P249-L284 HydrophobicContact CG-CD1 4.31Å
250D97.7Very high97.1Very high92 Ų9248.7 Ų48.749%0.49224%0.241SC..Hα-helixtrans-51.2-33.9-175.8-49.3-57.9000113.6I252 Y253 E254 R283D250-I252 PolarHBondContact O-N 3.47Å; D250-I252 VanDerWaalsContact O-N 3.14Å; D250-Y253 WeakPolarHBondContact O-CA 3.42Å; D250-Y253 VanDerWaalsContact O-CB 3.29Å; D250-Y253 WeakPolarHBondContact O-CB 3.48Å; D250-Y253 PolarHBondContact O-N 3.01Å; D250-E254 PolarHBondContact O-N 3.01Å; D250-R283 IonicContact OD2-CZ 2.66Å; D250-R283 IonicContact OD2-NH1 3.04Å; D250-R283 PolarHBondContact OD2-NH1 3.14Å; D250-R283 IonicContact OD2-NH2 3.58Å; D250-R283 PolarHBondContact OD2-NH2 3.23Å
251E98.4Very high97.2Very high6 Ų649.3 Ų49.33%0.02825%0.251CS..Hα-helixtrans-59.8-27178-65.383.7177.500112.7P249 I255 K276 K279 A280 R283P249-E251 WeakPolarHBondContact CB-OE2 3.39Å; P249-E251 PolarHBondContact O-N 2.94Å; E251-I255 WeakPolarHBondContact O-CG1 3.39Å; E251-I255 PolarHBondContact O-N 3.43Å; E251-K276 HydrophobicContact CB-CB 4.03Å; E251-K276 HydrophobicContact CB-CG 4.49Å; E251-K276 VanDerWaalsContact CB-O 3.24Å; E251-K276 WeakPolarHBondContact CB-O 3.46Å; E251-K279 HydrophobicContact CG-CB 4.26Å; E251-K279 HydrophobicContact CG-CD 3.95Å; E251-K279 HydrophobicContact CG-CG 4.15Å; E251-K279 WeakPolarHBondContact OE1-CE 3.41Å; E251-A280 HydrophobicContact CB-CB 4.15Å; E251-A280 HydrophobicContact CG-CB 4.36Å; E251-R283 IonicContact OE1-CZ 2.98Å; E251-R283 IonicContact OE1-NE 3.48Å; E251-R283 IonicContact OE1-NH2 2.74Å; E251-R283 IonicContact OE2-CZ 3.63Å; E251-R283 IonicContact OE2-NE 3.48Å; E251-R283 IonicContact OE2-NH2 2.96Å; E251-R283 PolarHBondContact OE2-NH2 3.42Å
252I98.5Very high97.3Very high0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-79.9-28.4175.2-53.3-56.1000111.4L115 L210 M213 L245 F248 P249 D250 I255 L256 I277L115-I252 HydrophobicContact CD2-CD1 3.93Å; L115-I252 HydrophobicContact CD2-CG1 4.17Å; L210-I252 HydrophobicContact CD1-CG2 3.75Å; M213-I252 HydrophobicContact CE-CD1 4.36Å; L245-I252 HydrophobicContact CD1-CG2 4.23Å; L245-I252 HydrophobicContact CD2-CG2 3.92Å; F248-I252 HydrophobicContact CB-CB 4.06Å; F248-I252 HydrophobicContact CB-CG1 4.33Å; F248-I252 HydrophobicContact CB-CG2 4.22Å; F248-I252 HydrophobicContact CD1-CB 4.26Å; F248-I252 HydrophobicContact CD1-CG1 3.95Å; F248-I252 HydrophobicContact CD1-CG2 3.98Å; F248-I252 HydrophobicContact CG-CB 4.49Å; F248-I252 HydrophobicContact CG-CG2 4.23Å; P249-I252 HydrophobicContact CG-CG1 4.03Å; P249-I252 WeakPolarHBondContact O-CB 3.39Å; P249-I252 PolarHBondContact O-N 3.29Å; D250-I252 PolarHBondContact O-N 3.47Å; D250-I252 VanDerWaalsContact O-N 3.14Å; I252-I255 HydrophobicContact CD1-CD1 3.97Å; I252-I255 WeakPolarHBondContact O-CB 3.37Å; I252-I255 PolarHBondContact O-N 3.34Å; I252-L256 PolarHBondContact O-N 2.92Å; I252-I277 HydrophobicContact CD1-CG1 3.86Å
253Y98.1Very high97.4Very high44 Ų4449.4 Ų49.417%0.17324%0.244CC..Hα-helixtrans-66.2-41.7168.9-71.9-104.4000110.7P241 V242 L245 D250 I255 L256 E257P241-Y253 HydrophobicContact CB-CD1 4.12Å; P241-Y253 HydrophobicContact CB-CE1 4.17Å; P241-Y253 WeakPolarHBondContact O-CE1 3.42Å; V242-Y253 HydrophobicContact CG2-CE1 4.35Å; L245-Y253 HydrophobicContact CB-CD1 4.31Å; L245-Y253 HydrophobicContact CB-CD2 4.1Å; L245-Y253 HydrophobicContact CB-CE1 3.78Å; L245-Y253 HydrophobicContact CB-CE2 3.54Å; L245-Y253 HydrophobicContact CB-CG 4.46Å; L245-Y253 HydrophobicContact CD1-CD1 4Å; L245-Y253 HydrophobicContact CD1-CD2 4.09Å; L245-Y253 HydrophobicContact CD1-CE1 4.3Å; L245-Y253 HydrophobicContact CD1-CE2 4.38Å; L245-Y253 HydrophobicContact CD1-CG 3.91Å; L245-Y253 WeakPolarHBondContact O-CE2 3.28Å; L245-Y253 PolarHBondContact O-OH 3.2Å; D250-Y253 WeakPolarHBondContact O-CA 3.42Å; D250-Y253 VanDerWaalsContact O-CB 3.29Å; D250-Y253 WeakPolarHBondContact O-CB 3.48Å; D250-Y253 PolarHBondContact O-N 3.01Å; Y253-I255 VanDerWaalsContact C-N 3.27Å; Y253-I255 PolarHBondContact O-N 3.13Å; Y253-L256 WeakPolarHBondContact O-CB 3.21Å; Y253-L256 PolarHBondContact O-N 2.89Å; Y253-L256 VanDerWaalsContact O-N 3.08Å; Y253-E257 PolarHBondContact O-N 3.44Å
254E98Very high97.5Very high84 Ų8446.3 Ų46.339%0.39323%0.226SC..Hα-helixtrans-59.9-38.1174.7-65175.4-166.200112.2D250 E257 T258 K276D250-E254 PolarHBondContact O-N 3.01Å; E254-E257 PolarHBondContact O-N 2.81Å; E254-T258 WeakPolarHBondContact O-CB 3.26Å; E254-T258 PolarHBondContact O-N 3.13Å; E254-T258 PolarHBondContact O-OG1 2.65Å; E254-K276 HydrophobicContact CB-CD 3.95Å; E254-K276 VanDerWaalsContact OE2-CE 3.29Å; E254-K276 WeakPolarHBondContact OE2-CE 3.46Å
255I98.6Very high97.6Very high11 Ų1151.2 Ų51.26%0.05625%0.249CC..Hα-helixtrans-60.1-48.4171.8-73.6178.4000110.7E251 I252 Y253 E257 T258 L259 F273 K276 I277E251-I255 WeakPolarHBondContact O-CG1 3.39Å; E251-I255 PolarHBondContact O-N 3.43Å; I252-I255 HydrophobicContact CD1-CD1 3.97Å; I252-I255 WeakPolarHBondContact O-CB 3.37Å; I252-I255 PolarHBondContact O-N 3.34Å; Y253-I255 VanDerWaalsContact C-N 3.27Å; Y253-I255 PolarHBondContact O-N 3.13Å; I255-E257 PolarHBondContact O-N 3.19Å; I255-T258 PolarHBondContact O-N 2.98Å; I255-L259 HydrophobicContact CG2-CD1 4.11Å; I255-L259 HydrophobicContact CG2-CG 4.48Å; I255-L259 WeakPolarHBondContact O-CG 3.25Å; I255-L259 PolarHBondContact O-N 2.93Å; I255-F273 HydrophobicContact CB-CD1 4.08Å; I255-F273 HydrophobicContact CB-CE1 4.31Å; I255-F273 HydrophobicContact CD1-CD1 4.17Å; I255-F273 HydrophobicContact CG1-CD1 3.72Å; I255-F273 HydrophobicContact CG1-CE1 4.36Å; I255-F273 HydrophobicContact CG2-CD1 3.66Å; I255-F273 HydrophobicContact CG2-CE1 3.81Å; I255-K276 HydrophobicContact CD1-CB 4.02Å; I255-K276 HydrophobicContact CG1-CB 4.06Å; I255-K276 HydrophobicContact CG1-CD 3.72Å; I255-I277 HydrophobicContact CD1-CD1 4.27Å; I255-I277 HydrophobicContact CD1-CG1 3.78Å
256L98.2Very high97.5Very high4 Ų454.4 Ų54.42%0.02127%0.266CS..Hα-helixtrans-58.9-45.7178.1171.763.6000111.7W207 L210 P241 L245 I252 Y253 L259 K260W207-L256 HydrophobicContact CH2-CD1 3.42Å; W207-L256 VanDerWaalsContact CH2-CD1 3.42Å; W207-L256 HydrophobicContact CZ3-CD1 3.45Å; W207-L256 VanDerWaalsContact CZ3-CD1 3.45Å; L210-L256 HydrophobicContact CD2-CB 3.97Å; L210-L256 HydrophobicContact CD2-CD1 3.76Å; L210-L256 HydrophobicContact CD2-CG 4.42Å; P241-L256 HydrophobicContact CB-CD2 3.76Å; P241-L256 HydrophobicContact CG-CD2 4.07Å; L245-L256 HydrophobicContact CD1-CB 4.05Å; L245-L256 HydrophobicContact CD1-CD2 3.76Å; I252-L256 PolarHBondContact O-N 2.92Å; Y253-L256 WeakPolarHBondContact O-CB 3.21Å; Y253-L256 PolarHBondContact O-N 2.89Å; Y253-L256 VanDerWaalsContact O-N 3.08Å; L256-L259 PolarHBondContact O-N 3.08Å; L256-K260 WeakPolarHBondContact O-CG 3.39Å; L256-K260 PolarHBondContact O-N 2.93Å
257E97.7Very high97.7Very high87 Ų8754.3 Ų54.341%0.40727%0.27SS..Hα-helixtrans-64.1-40.9177.8-64.5-47.8133.600111.7Y253 E254 I255 L259 K260 C261Y253-E257 PolarHBondContact O-N 3.44Å; E254-E257 PolarHBondContact O-N 2.81Å; I255-E257 PolarHBondContact O-N 3.19Å; E257-L259 VanDerWaalsContact C-N 3.32Å; E257-L259 PolarHBondContact O-N 3.27Å; E257-K260 PolarHBondContact O-N 3.33Å; E257-K260 IonicContact OE1-NZ 3.75Å; E257-K260 PolarHBondContact OE1-NZ 2.98Å; E257-K260 WeakPolarHBondContact OE2-CD 3.19Å; E257-K260 IonicContact OE2-NZ 2.73Å; E257-K260 PolarHBondContact OE2-NZ 3.45Å; E257-C261 PolarHBondContact O-N 2.89Å
258T98.2Very high97.9Very high52 Ų5251 Ų5132%0.31925%0.253SS..Hα-helixtrans-59.1-44.1174.6-54.70000111.2E254 I255 K260 C261 L262 F273E254-T258 WeakPolarHBondContact O-CB 3.26Å; E254-T258 PolarHBondContact O-N 3.13Å; E254-T258 PolarHBondContact O-OG1 2.65Å; I255-T258 PolarHBondContact O-N 2.98Å; T258-K260 VanDerWaalsContact C-N 3.29Å; T258-K260 PolarHBondContact O-N 3.41Å; T258-C261 PolarHBondContact O-N 3.17Å; T258-C261 VanDerWaalsContact O-N 3.12Å; T258-L262 PolarHBondContact O-N 2.8Å; T258-F273 HydrophobicContact CG2-CE1 4.25Å; T258-F273 HydrophobicContact CG2-CE2 4.38Å; T258-F273 HydrophobicContact CG2-CZ 3.67Å
259L98.4Very high97.9Very high2 Ų255 Ų551%0.0128%0.275CS..Hα-helixtrans-63.8-29.8179.6-72.5174.3000113.7L206 W207 L210 I255 L256 E257 C261 L262 F273L206-L259 HydrophobicContact CB-CD2 3.61Å; W207-L259 HydrophobicContact CD2-CB 4.13Å; W207-L259 HydrophobicContact CD2-CD1 4.22Å; W207-L259 HydrophobicContact CE3-CD1 4.36Å; W207-L259 HydrophobicContact CG-CD1 4.46Å; W207-L259 HydrophobicContact CH2-CB 4.36Å; W207-L259 HydrophobicContact CZ2-CB 3.75Å; W207-L259 PolarHBondContact NE1-O 3.07Å; W207-L259 VanDerWaalsContact NE1-O 3.1Å; L210-L259 HydrophobicContact CB-CD1 4.1Å; L210-L259 HydrophobicContact CD2-CD1 3.88Å; I255-L259 HydrophobicContact CG2-CD1 4.11Å; I255-L259 HydrophobicContact CG2-CG 4.48Å; I255-L259 WeakPolarHBondContact O-CG 3.25Å; I255-L259 PolarHBondContact O-N 2.93Å; L256-L259 PolarHBondContact O-N 3.08Å; E257-L259 VanDerWaalsContact C-N 3.32Å; E257-L259 PolarHBondContact O-N 3.27Å; L259-C261 VanDerWaalsContact C-N 3.28Å; L259-L262 HydrophobicContact CD2-CD1 4.23Å; L259-F273 HydrophobicContact CD2-CE1 3.99Å; L259-F273 HydrophobicContact CD2-CZ 4.03Å; L259-F273 HydrophobicContact CG-CE1 4.02Å; L259-F273 HydrophobicContact CG-CZ 4.42Å
260K97.3Very high98Very high97 Ų9754.9 Ų54.942%0.42227%0.272SS..Hα-helixtrans-68.4-29.1175.2-68.6175.9-168.5164.40112.3W207 L256 E257 T258W207-K260 HydrophobicContact CH2-CG 4Å; W207-K260 HydrophobicContact CZ2-CG 3.95Å; L256-K260 WeakPolarHBondContact O-CG 3.39Å; L256-K260 PolarHBondContact O-N 2.93Å; E257-K260 PolarHBondContact O-N 3.33Å; E257-K260 IonicContact OE1-NZ 3.75Å; E257-K260 PolarHBondContact OE1-NZ 2.98Å; E257-K260 WeakPolarHBondContact OE2-CD 3.19Å; E257-K260 IonicContact OE2-NZ 2.73Å; E257-K260 PolarHBondContact OE2-NZ 3.45Å; T258-K260 VanDerWaalsContact C-N 3.29Å; T258-K260 PolarHBondContact O-N 3.41Å
261C97.7Very high98Very high96 Ų9655 Ų5565%0.64927%0.273SS*.Hα-helixtrans-83.4-29.1-178.6-62.60000113.1E257 T258 L259 Q263E257-C261 PolarHBondContact O-N 2.89Å; T258-C261 PolarHBondContact O-N 3.17Å; T258-C261 VanDerWaalsContact O-N 3.12Å; L259-C261 VanDerWaalsContact C-N 3.28Å; C261-Q263 PolarHBondContact O-N 3.36Å; C261-Q263 PolarHBondContact O-NE2 2.9Å
262L98.3Very high98Very high24 Ų2456.4 Ų56.413%0.12628%0.283CS..  trans-66.2131.9-176.1-69.4174.4000113.4Q203 T258 L259 D266 P268 F273Q203-L262 HydrophobicContact CB-CB 3.66Å; Q203-L262 HydrophobicContact CB-CD1 3.99Å; Q203-L262 HydrophobicContact CB-CG 4.49Å; Q203-L262 HydrophobicContact CG-CB 4.17Å; T258-L262 PolarHBondContact O-N 2.8Å; L259-L262 HydrophobicContact CD2-CD1 4.23Å; L262-D266 HydrophobicContact CD2-CB 3.73Å; L262-P268 HydrophobicContact CD1-CB 4.16Å; L262-P268 HydrophobicContact CD1-CG 4.23Å; L262-F273 HydrophobicContact CD1-CE2 4.44Å; L262-F273 HydrophobicContact CD1-CZ 4.04Å
263Q97.6Very high98.1Very high89 Ų8956.8 Ų56.842%0.41629%0.285SS..  trans-104.1176.7173.4-53.4-52.1-57.900111.6Q203 C261 E265 D266Q203-Q263 PolarHBondContact OE1-O 2.96Å; C261-Q263 PolarHBondContact O-N 3.36Å; C261-Q263 PolarHBondContact O-NE2 2.9Å; Q263-E265 VanDerWaalsContact C-N 3.26Å; Q263-E265 PolarHBondContact O-N 3.05Å; Q263-D266 WeakPolarHBondContact CB-OD2 3.43Å; Q263-D266 PolarHBondContact N-OD2 2.78Å; Q263-D266 PolarHBondContact O-N 3.27Å
264Y97.9Very high98.1Very high20 Ų2055 Ų558%0.07828%0.278CS..SBendtrans-60.8-36.9-179.3175.7-98.7000112.6R175 P177 E199 A200R175-Y264 WeakPolarHBondContact O-CE1 3.37Å; R175-Y264 PolarHBondContact O-OH 3.25Å; R175-Y264 VanDerWaalsContact O-OH 3.14Å; P177-Y264 HydrophobicContact CB-CD1 4.12Å; P177-Y264 HydrophobicContact CB-CE1 4.09Å; P177-Y264 HydrophobicContact CB-CG 4.47Å; P177-Y264 HydrophobicContact CG-CD1 4.1Å; P177-Y264 HydrophobicContact CG-CE1 4.24Å; E199-Y264 HydrophobicContact CB-CE2 4.31Å; E199-Y264 HydrophobicContact CG-CD2 4.43Å; E199-Y264 HydrophobicContact CG-CE2 3.76Å; A200-Y264 WeakPolarHBondContact O-CE2 3.49Å
265E97.1Very high98.1Very high108 Ų10855.5 Ų55.551%0.50528%0.284SS..SBendtrans-75.1-27-176.8-65.372.6-159.900112.6L174 R202 Q263L174-E265 HydrophobicContact CD1-CB 4.22Å; L174-E265 HydrophobicContact CD1-CG 4.46Å; R202-E265 PolarHBondContact NH2-O 3.43Å; Q263-E265 VanDerWaalsContact C-N 3.26Å; Q263-E265 PolarHBondContact O-N 3.05Å
266D97.4Very high98.1Very high66 Ų6656.6 Ų56.635%0.35329%0.288SS..  trans-69136.6-173.6-62.5-37.7000111.2R202 L262 Q263 P268R202-D266 VanDerWaalsContact CZ-O 3.23Å; R202-D266 PolarHBondContact NE-O 3.44Å; R202-D266 PolarHBondContact NH2-O 3.1Å; L262-D266 HydrophobicContact CD2-CB 3.73Å; Q263-D266 WeakPolarHBondContact CB-OD2 3.43Å; Q263-D266 PolarHBondContact N-OD2 2.78Å; Q263-D266 PolarHBondContact O-N 3.27Å; D266-P268 WeakPolarHBondContact O-CD 3.38Å
267K97.5Very high98.1Very high162 Ų16256.5 Ų56.570%0.70429%0.287SS*.  trans-86.7114.9166.7-177.8-173.7172.7-168.10106.9
268P98.2Very high98.2Very high3 Ų357.2 Ų57.22%0.01929%0.287CS..  trans-59.8142.2175.1-21.432.9000111R202 L206 L262 D266 Y270 F273R202-P268 HydrophobicContact CB-CG 3.78Å; L206-P268 HydrophobicContact CD1-CB 3.42Å; L206-P268 VanDerWaalsContact CD1-CB 3.42Å; L206-P268 HydrophobicContact CD1-CG 3.6Å; L262-P268 HydrophobicContact CD1-CB 4.16Å; L262-P268 HydrophobicContact CD1-CG 4.23Å; D266-P268 WeakPolarHBondContact O-CD 3.38Å; P268-Y270 VanDerWaalsContact C-N 3.34Å; P268-Y270 HydrophobicContact CB-CE1 4.19Å; P268-Y270 HydrophobicContact CB-CE2 4.29Å; P268-Y270 HydrophobicContact CG-CE1 4.42Å; P268-Y270 WeakPolarHBondContact O-CD2 3.24Å; P268-Y270 VanDerWaalsContact O-CE2 3.24Å; P268-Y270 WeakPolarHBondContact O-CE2 3.46Å; P268-Y270 PolarHBondContact O-N 3.33Å; P268-Y270 VanDerWaalsContact O-N 3.16Å; P268-F273 HydrophobicContact CB-CE2 4.07Å
269D98.3Very high98.2Very high95 Ų9560.5 Ų60.551%0.50830%0.296SS..  trans-83.779.6170.7-175.4-8.4000109.5D271 S272 F273D269-D271 PolarHBondContact O-N 3.48Å; D269-S272 WeakPolarHBondContact O-CB 3.33Å; D269-S272 PolarHBondContact O-N 3.19Å; D269-S272 VanDerWaalsContact O-N 3.12Å; D269-S272 PolarHBondContact OD1-N 2.89Å; D269-S272 VanDerWaalsContact OD1-N 3.13Å; D269-S272 VanDerWaalsContact OD2-CB 3.28Å; D269-S272 WeakPolarHBondContact OD2-CB 3.47Å; D269-F273 WeakPolarHBondContact O-CD2 3.27Å; D269-F273 PolarHBondContact O-N 3.13Å
270Y98.7Very high98.2Very high11 Ų1160.4 Ų60.44%0.04330%0.296CS..Hα-helixtrans-54.6-38.1-176.2-57.1-85.9000112.8I122 Q126 H129 R202 L206 P268 F273 I274I122-Y270 HydrophobicContact CG2-CD1 4.12Å; Q126-Y270 HydrophobicContact CB-CD1 3.78Å; Q126-Y270 HydrophobicContact CB-CD2 4.48Å; Q126-Y270 HydrophobicContact CB-CE1 4.18Å; Q126-Y270 HydrophobicContact CB-CG 3.96Å; Q126-Y270 HydrophobicContact CG-CD1 3.98Å; Q126-Y270 HydrophobicContact CG-CD2 3.76Å; Q126-Y270 HydrophobicContact CG-CE1 4.42Å; Q126-Y270 HydrophobicContact CG-CE2 4.21Å; Q126-Y270 HydrophobicContact CG-CG 3.65Å; H129-Y270 WeakPolarHBondContact CB-OH 3.49Å; H129-Y270 VanDerWaalsContact CG-OH 3.31Å; H129-Y270 AromaticContact ND1-CE1 3.41Å; H129-Y270 WeakPolarHBondContact ND1-CE1 3.46Å; H129-Y270 AromaticContact ND1-CZ 3.47Å; H129-Y270 PolarHBondContact ND1-OH 2.92Å; R202-Y270 WeakPolarHBondContact CD-OH 3.41Å; L206-Y270 HydrophobicContact CD1-CD1 4.48Å; L206-Y270 HydrophobicContact CD1-CE1 4.14Å; L206-Y270 HydrophobicContact CD2-CD1 4.39Å; L206-Y270 HydrophobicContact CD2-CE1 4.32Å; P268-Y270 VanDerWaalsContact C-N 3.34Å; P268-Y270 HydrophobicContact CB-CE1 4.19Å; P268-Y270 HydrophobicContact CB-CE2 4.29Å; P268-Y270 HydrophobicContact CG-CE1 4.42Å; P268-Y270 WeakPolarHBondContact O-CD2 3.24Å; P268-Y270 VanDerWaalsContact O-CE2 3.24Å; P268-Y270 WeakPolarHBondContact O-CE2 3.46Å; P268-Y270 PolarHBondContact O-N 3.33Å; P268-Y270 VanDerWaalsContact O-N 3.16Å; Y270-F273 PolarHBondContact O-N 2.81Å; Y270-I274 WeakPolarHBondContact O-CG1 3.09Å; Y270-I274 PolarHBondContact O-N 2.86Å
271D98.6Very high98.3Very high95 Ų9556 Ų5651%0.50828%0.277SS..Hα-helixtrans-65.7-42.4-179.4-59.8-30000109.8D269 F273 I274 D275D269-D271 PolarHBondContact O-N 3.48Å; D271-F273 VanDerWaalsContact C-N 3.32Å; D271-F273 PolarHBondContact O-N 2.98Å; D271-I274 PolarHBondContact O-N 3.17Å; D271-I274 VanDerWaalsContact O-N 3.13Å; D271-D275 WeakPolarHBondContact O-CB 3.28Å; D271-D275 VanDerWaalsContact O-CG 3.26Å; D271-D275 PolarHBondContact O-N 2.86Å
272S98.5Very high98.3Very high34 Ų3456.1 Ų56.124%0.23828%0.278CS..Hα-helixtrans-61.1-33.9173.3-179.10000114.1D269 K276D269-S272 WeakPolarHBondContact O-CB 3.33Å; D269-S272 PolarHBondContact O-N 3.19Å; D269-S272 VanDerWaalsContact O-N 3.12Å; D269-S272 PolarHBondContact OD1-N 2.89Å; D269-S272 VanDerWaalsContact OD1-N 3.13Å; D269-S272 VanDerWaalsContact OD2-CB 3.28Å; D269-S272 WeakPolarHBondContact OD2-CB 3.47Å; S272-K276 VanDerWaalsContact O-CG 3.32Å; S272-K276 WeakPolarHBondContact O-CG 3.41Å; S272-K276 PolarHBondContact O-N 3.33Å; S272-K276 PolarHBondContact O-NZ 3.28Å; S272-K276 PolarHBondContact OG-NZ 2.8Å
273F98.7Very high98.3Very high8 Ų861.2 Ų61.24%0.03530%0.296CS..Hα-helixtrans-68.7-45.3171.9-70.5-86.3000111.3I122 L206 I255 T258 L259 L262 P268 D269 Y270 D271 K276 I277I122-F273 HydrophobicContact CD1-CB 3.82Å; L206-F273 HydrophobicContact CD1-CE2 4.17Å; L206-F273 HydrophobicContact CD1-CZ 4.45Å; I255-F273 HydrophobicContact CB-CD1 4.08Å; I255-F273 HydrophobicContact CB-CE1 4.31Å; I255-F273 HydrophobicContact CD1-CD1 4.17Å; I255-F273 HydrophobicContact CG1-CD1 3.72Å; I255-F273 HydrophobicContact CG1-CE1 4.36Å; I255-F273 HydrophobicContact CG2-CD1 3.66Å; I255-F273 HydrophobicContact CG2-CE1 3.81Å; T258-F273 HydrophobicContact CG2-CE1 4.25Å; T258-F273 HydrophobicContact CG2-CE2 4.38Å; T258-F273 HydrophobicContact CG2-CZ 3.67Å; L259-F273 HydrophobicContact CD2-CE1 3.99Å; L259-F273 HydrophobicContact CD2-CZ 4.03Å; L259-F273 HydrophobicContact CG-CE1 4.02Å; L259-F273 HydrophobicContact CG-CZ 4.42Å; L262-F273 HydrophobicContact CD1-CE2 4.44Å; L262-F273 HydrophobicContact CD1-CZ 4.04Å; P268-F273 HydrophobicContact CB-CE2 4.07Å; D269-F273 WeakPolarHBondContact O-CD2 3.27Å; D269-F273 PolarHBondContact O-N 3.13Å; Y270-F273 PolarHBondContact O-N 2.81Å; D271-F273 VanDerWaalsContact C-N 3.32Å; D271-F273 PolarHBondContact O-N 2.98Å; F273-K276 PolarHBondContact O-N 3.46Å; F273-I277 WeakPolarHBondContact O-CG1 3.4Å; F273-I277 PolarHBondContact O-N 3.47Å
274I98.8Very high98.3Very high6 Ų661 Ų613%0.03130%0.298CS..Hα-helixtrans-63.4-43.9179-70.4169000110.8V119 I122 E123 Y270 D271 K276 I277 R278V119-I274 HydrophobicContact CG1-CG2 4.11Å; I122-I274 HydrophobicContact CB-CD1 4.42Å; I122-I274 HydrophobicContact CB-CG1 4.05Å; I122-I274 HydrophobicContact CD1-CG1 4.35Å; I122-I274 HydrophobicContact CG2-CD1 3.97Å; I122-I274 HydrophobicContact CG2-CG1 3.78Å; E123-I274 HydrophobicContact CG-CD1 3.89Å; Y270-I274 WeakPolarHBondContact O-CG1 3.09Å; Y270-I274 PolarHBondContact O-N 2.86Å; D271-I274 PolarHBondContact O-N 3.17Å; D271-I274 VanDerWaalsContact O-N 3.13Å; I274-K276 VanDerWaalsContact C-N 3.31Å; I274-K276 PolarHBondContact O-N 3.05Å; I274-I277 PolarHBondContact O-N 3.11Å; I274-I277 VanDerWaalsContact O-N 3.14Å; I274-R278 HydrophobicContact CG2-CG 4.27Å; I274-R278 WeakPolarHBondContact O-CG 3.49Å; I274-R278 PolarHBondContact O-N 2.73Å
275D98.7Very high98.3Very high95 Ų9562.2 Ų62.251%0.50832%0.315SS..Hα-helixtrans-63.3-37.1-179.9-74.2-15000112D271 R278 K279D271-D275 WeakPolarHBondContact O-CB 3.28Å; D271-D275 VanDerWaalsContact O-CG 3.26Å; D271-D275 PolarHBondContact O-N 2.86Å; D275-R278 PolarHBondContact O-N 3.17Å; D275-K279 WeakPolarHBondContact O-CB 3.4Å; D275-K279 PolarHBondContact O-N 3.14Å
276K98.7Very high98.4Very high35 Ų3558 Ų5815%0.15230%0.296CS..Hα-helixtrans-60.9-46.1171.9-80.3173.3-174.561.70111.8E251 E254 I255 S272 F273 I274 K279 A280E251-K276 HydrophobicContact CB-CB 4.03Å; E251-K276 HydrophobicContact CB-CG 4.49Å; E251-K276 VanDerWaalsContact CB-O 3.24Å; E251-K276 WeakPolarHBondContact CB-O 3.46Å; E254-K276 HydrophobicContact CB-CD 3.95Å; E254-K276 VanDerWaalsContact OE2-CE 3.29Å; E254-K276 WeakPolarHBondContact OE2-CE 3.46Å; I255-K276 HydrophobicContact CD1-CB 4.02Å; I255-K276 HydrophobicContact CG1-CB 4.06Å; I255-K276 HydrophobicContact CG1-CD 3.72Å; S272-K276 VanDerWaalsContact O-CG 3.32Å; S272-K276 WeakPolarHBondContact O-CG 3.41Å; S272-K276 PolarHBondContact O-N 3.33Å; S272-K276 PolarHBondContact O-NZ 3.28Å; S272-K276 PolarHBondContact OG-NZ 2.8Å; F273-K276 PolarHBondContact O-N 3.46Å; I274-K276 VanDerWaalsContact C-N 3.31Å; I274-K276 PolarHBondContact O-N 3.05Å; K276-K279 PolarHBondContact O-N 2.89Å; K276-A280 PolarHBondContact O-N 2.87Å
277I98.8Very high98.3Very high1 Ų160.4 Ų60.41%0.00531%0.305CS..Hα-helixtrans-64.8-44.1177.5-61.9177.5000110.8L115 V119 I122 M213 I252 I255 F273 I274 K279 A280 M281L115-I277 HydrophobicContact CB-CG2 4Å; L115-I277 HydrophobicContact CD2-CG2 4.2Å; L115-I277 VanDerWaalsContact O-CG2 3.25Å; L115-I277 WeakPolarHBondContact O-CG2 3.45Å; V119-I277 HydrophobicContact CG2-CB 4.11Å; V119-I277 HydrophobicContact CG2-CG2 3.61Å; I122-I277 HydrophobicContact CD1-CD1 3.53Å; M213-I277 HydrophobicContact CE-CD1 4.17Å; M213-I277 HydrophobicContact SD-CD1 4.41Å; I252-I277 HydrophobicContact CD1-CG1 3.86Å; I255-I277 HydrophobicContact CD1-CD1 4.27Å; I255-I277 HydrophobicContact CD1-CG1 3.78Å; F273-I277 WeakPolarHBondContact O-CG1 3.4Å; F273-I277 PolarHBondContact O-N 3.47Å; I274-I277 PolarHBondContact O-N 3.11Å; I274-I277 VanDerWaalsContact O-N 3.14Å; I277-K279 PolarHBondContact O-N 3.06Å; I277-A280 WeakPolarHBondContact O-CB 3.31Å; I277-A280 PolarHBondContact O-N 3.42Å; I277-M281 HydrophobicContact CG2-SD 4.07Å; I277-M281 WeakPolarHBondContact O-CG 3.45Å; I277-M281 PolarHBondContact O-N 2.61Å
278R98.6Very high98.2Very high103 Ų10357 Ų5739%0.38929%0.292SS..Hα-helixtrans-64.9-37.5177.8-74.2-179.2175.1146.65.1112.5V119 E123 I274 D275 M281 S282V119-R278 HydrophobicContact CG2-CG 4.39Å; E123-R278 IonicContact OE1-NH2 2.69Å; I274-R278 HydrophobicContact CG2-CG 4.27Å; I274-R278 WeakPolarHBondContact O-CG 3.49Å; I274-R278 PolarHBondContact O-N 2.73Å; D275-R278 PolarHBondContact O-N 3.17Å; R278-M281 WeakPolarHBondContact O-CB 3.36Å; R278-M281 PolarHBondContact O-N 2.92Å; R278-S282 WeakPolarHBondContact O-CB 3.4Å; R278-S282 PolarHBondContact O-N 2.9Å
279K98.6Very high97.9Very high120 Ų12062.7 Ų62.752%0.52232%0.322SS..Hα-helixtrans-62.3-45.5173.3-179.2-177.6171-1690111.1E251 D275 K276 I277 M281 S282 R283E251-K279 HydrophobicContact CG-CB 4.26Å; E251-K279 HydrophobicContact CG-CD 3.95Å; E251-K279 HydrophobicContact CG-CG 4.15Å; E251-K279 WeakPolarHBondContact OE1-CE 3.41Å; D275-K279 WeakPolarHBondContact O-CB 3.4Å; D275-K279 PolarHBondContact O-N 3.14Å; K276-K279 PolarHBondContact O-N 2.89Å; I277-K279 PolarHBondContact O-N 3.06Å; K279-M281 VanDerWaalsContact C-N 3.35Å; K279-M281 PolarHBondContact O-N 3.37Å; K279-S282 PolarHBondContact O-N 3.09Å; K279-R283 WeakPolarHBondContact O-CB 3.29Å; K279-R283 PolarHBondContact O-N 3.3Å
280A98.6Very high97.7Very high0 Ų060.9 Ų60.90%031%0.311CS..Hα-helixtrans-58.3-44.9172.400000112.4L115 P249 E251 K276 I277 R283 L284L115-A280 HydrophobicContact CD1-CB 4.31Å; P249-A280 HydrophobicContact CB-CB 4.04Å; P249-A280 HydrophobicContact CG-CB 3.42Å; P249-A280 VanDerWaalsContact CG-CB 3.42Å; E251-A280 HydrophobicContact CB-CB 4.15Å; E251-A280 HydrophobicContact CG-CB 4.36Å; K276-A280 PolarHBondContact O-N 2.87Å; I277-A280 WeakPolarHBondContact O-CB 3.31Å; I277-A280 PolarHBondContact O-N 3.42Å; A280-R283 PolarHBondContact O-N 2.98Å; A280-L284 WeakPolarHBondContact O-CB 3.35Å; A280-L284 VanDerWaalsContact O-CG 3.31Å; A280-L284 WeakPolarHBondContact O-CG 3.35Å; A280-L284 PolarHBondContact O-N 2.63Å; A280-L284 VanDerWaalsContact O-N 3.11Å
281M98.7Very high97.5Very high6 Ų664.3 Ų64.33%0.0333%0.329CS..Hα-helixtrans-60.2-48176.3-71.6167.354.900111.7L115 R116 V119 I277 R278 K279 R283 L284 G285 I286 E288L115-M281 HydrophobicContact CB-CG 3.77Å; L115-M281 HydrophobicContact CB-SD 4.19Å; L115-M281 HydrophobicContact CD1-CG 4.07Å; R116-M281 HydrophobicContact CG-CE 3.55Å; R116-M281 HydrophobicContact CG-SD 4.15Å; V119-M281 HydrophobicContact CG2-SD 4.27Å; I277-M281 HydrophobicContact CG2-SD 4.07Å; I277-M281 WeakPolarHBondContact O-CG 3.45Å; I277-M281 PolarHBondContact O-N 2.61Å; R278-M281 WeakPolarHBondContact O-CB 3.36Å; R278-M281 PolarHBondContact O-N 2.92Å; K279-M281 VanDerWaalsContact C-N 3.35Å; K279-M281 PolarHBondContact O-N 3.37Å; M281-R283 PolarHBondContact O-N 3.05Å; M281-L284 CarbonylContact O-C 3.55Å; M281-L284 PolarHBondContact O-N 3.19Å; M281-G285 PolarHBondContact O-N 3.27Å; M281-I286 HydrophobicContact CB-CB 4.03Å; M281-I286 HydrophobicContact CB-CG2 4.36Å; M281-I286 HydrophobicContact CE-CG2 4.22Å; M281-I286 HydrophobicContact CG-CB 4.24Å; M281-I286 HydrophobicContact CG-CG2 4.13Å; M281-I286 PolarHBondContact O-N 3.38Å; M281-E288 HydrophobicContact CE-CG 4.14Å
282S98.2Very high97.4Very high97 Ų9760 Ų6068%0.67831%0.306SS*.Hα-helixtrans-59.8-44.8178.1177.20000112.1R278 K279 L284 G285R278-S282 WeakPolarHBondContact O-CB 3.4Å; R278-S282 PolarHBondContact O-N 2.9Å; K279-S282 PolarHBondContact O-N 3.09Å; S282-L284 PolarHBondContact O-N 3.34Å; S282-G285 PolarHBondContact O-N 3.46Å
283R97.6Very high97.4Very high132 Ų13259.7 Ų59.750%0.49830%0.301SS..Hα-helixtrans-60.5-34177.1180165.767.7148.7-6.4112.6D250 E251 K279 A280 M281D250-R283 IonicContact OD2-CZ 2.66Å; D250-R283 IonicContact OD2-NH1 3.04Å; D250-R283 PolarHBondContact OD2-NH1 3.14Å; D250-R283 IonicContact OD2-NH2 3.58Å; D250-R283 PolarHBondContact OD2-NH2 3.23Å; E251-R283 IonicContact OE1-CZ 2.98Å; E251-R283 IonicContact OE1-NE 3.48Å; E251-R283 IonicContact OE1-NH2 2.74Å; E251-R283 IonicContact OE2-CZ 3.63Å; E251-R283 IonicContact OE2-NE 3.48Å; E251-R283 IonicContact OE2-NH2 2.96Å; E251-R283 PolarHBondContact OE2-NH2 3.42Å; K279-R283 WeakPolarHBondContact O-CB 3.29Å; K279-R283 PolarHBondContact O-N 3.3Å; A280-R283 PolarHBondContact O-N 2.98Å; M281-R283 PolarHBondContact O-N 3.05Å
284L98Very high97.2Very high85 Ų8560.4 Ų60.445%0.44530%0.304SS..THydrogen-bonded Turntrans-932-178.4-65.8172.1000113.6L111 L115 P249 A280 M281 S282 I286L111-L284 HydrophobicContact CD2-CD1 3.71Å; L115-L284 HydrophobicContact CD1-CD1 4.14Å; P249-L284 HydrophobicContact CG-CD1 4.31Å; A280-L284 WeakPolarHBondContact O-CB 3.35Å; A280-L284 VanDerWaalsContact O-CG 3.31Å; A280-L284 WeakPolarHBondContact O-CG 3.35Å; A280-L284 PolarHBondContact O-N 2.63Å; A280-L284 VanDerWaalsContact O-N 3.11Å; M281-L284 CarbonylContact O-C 3.55Å; M281-L284 PolarHBondContact O-N 3.19Å; S282-L284 PolarHBondContact O-N 3.34Å; L284-I286 VanDerWaalsContact C-N 3.28Å; L284-I286 HydrophobicContact CB-CD1 3.69Å; L284-I286 HydrophobicContact CB-CG1 3.99Å; L284-I286 HydrophobicContact CD1-CD1 3.93Å; L284-I286 HydrophobicContact CG-CD1 4.49Å; L284-I286 PolarHBondContact O-N 3.46Å
285G98.1Very high96.9Very high44 Ų4460.9 Ų60.945%0.45431%0.306SS..THydrogen-bonded Turntrans66.127.7-17700000113.9M281 S282 H287M281-G285 PolarHBondContact O-N 3.27Å; S282-G285 PolarHBondContact O-N 3.46Å; G285-H287 PolarHBondContact O-CD2 3.2Å
286I98.4Very high96.6Very high20 Ų2058.1 Ų58.110%0.10330%0.296CS..  trans-89126.2179.3-63.4161.7000109.5S112 L115 R116 M281 L284 E290S112-I286 WeakPolarHBondContact OG-CG2 3.37Å; L115-I286 HydrophobicContact CD1-CD1 3.85Å; R116-I286 HydrophobicContact CG-CG2 4.4Å; M281-I286 HydrophobicContact CB-CB 4.03Å; M281-I286 HydrophobicContact CB-CG2 4.36Å; M281-I286 HydrophobicContact CE-CG2 4.22Å; M281-I286 HydrophobicContact CG-CB 4.24Å; M281-I286 HydrophobicContact CG-CG2 4.13Å; M281-I286 PolarHBondContact O-N 3.38Å; L284-I286 VanDerWaalsContact C-N 3.28Å; L284-I286 HydrophobicContact CB-CD1 3.69Å; L284-I286 HydrophobicContact CB-CG1 3.99Å; L284-I286 HydrophobicContact CD1-CD1 3.93Å; L284-I286 HydrophobicContact CG-CD1 4.49Å; L284-I286 PolarHBondContact O-N 3.46Å; I286-E290 WeakPolarHBondContact CA-OE1 3.47Å
287H96.7Very high96.1Very high117 Ų11759.5 Ų59.554%0.54230%0.302SS..  trans-107142.7-179.5-57.2-78000112.9R116 G285 N289 E290R116-H287 WeakPolarHBondContact CD-O 3.45Å; G285-H287 PolarHBondContact O-CD2 3.2Å; H287-N289 VanDerWaalsContact CB-OD1 3.28Å; H287-N289 WeakPolarHBondContact CB-OD1 3.45Å; H287-N289 PolarHBondContact O-N 3.26Å; H287-N289 VanDerWaalsContact O-N 3.17Å; H287-E290 HydrophobicContact CB-CG 4.24Å; H287-E290 IonicContact CD2-OE1 3.2Å; H287-E290 PolarHBondContact N-OE1 3.04Å; H287-E290 WeakPolarHBondContact O-CB 3.48Å; H287-E290 WeakPolarHBondContact O-CG 3.37Å; H287-E290 PolarHBondContact O-N 2.8Å; H287-E290 VanDerWaalsContact O-N 3.13Å
288E93.7Very high95.5Very high91 Ų9166 Ų6643%0.42533%0.33SS..THydrogen-bonded Turntrans-57.8-30.9179.6-68.9-72.7-173.200113.5M281 E290M281-E288 HydrophobicContact CE-CG 4.14Å; E288-E290 VanDerWaalsContact C-N 3.34Å
289N92.1Very high95Very high121 Ų12165.3 Ų65.365%0.64733%0.334SS*.THydrogen-bonded Turntrans-86.71.3-177.368-20.2000113.9K153 H287K153-N289 PolarHBondContact NZ-O 3.38Å; H287-N289 VanDerWaalsContact CB-OD1 3.28Å; H287-N289 WeakPolarHBondContact CB-OD1 3.45Å; H287-N289 PolarHBondContact O-N 3.26Å; H287-N289 VanDerWaalsContact O-N 3.17Å
290E94.7Very high94.3Very high58 Ų5864.5 Ų64.527%0.27134%0.335SS..SBendtrans-57.5158.9172.5-75.6174.9-148.800112S112 R116 K153 I286 H287 E288S112-E290 WeakPolarHBondContact CB-OE2 3.42Å; S112-E290 PolarHBondContact OG-OE2 3.15Å; R116-E290 PolarHBondContact NH1-O 3.4Å; K153-E290 PolarHBondContact NZ-O 2.95Å; I286-E290 WeakPolarHBondContact CA-OE1 3.47Å; H287-E290 HydrophobicContact CB-CG 4.24Å; H287-E290 IonicContact CD2-OE1 3.2Å; H287-E290 PolarHBondContact N-OE1 3.04Å; H287-E290 WeakPolarHBondContact O-CB 3.48Å; H287-E290 WeakPolarHBondContact O-CG 3.37Å; H287-E290 PolarHBondContact O-N 2.8Å; H287-E290 VanDerWaalsContact O-N 3.13Å; E288-E290 VanDerWaalsContact C-N 3.34Å
291L94.8Very high93.7Very high82 Ų8267.6 Ų67.643%0.42935%0.351SS..PPolyproline II helixtrans-71.6141.7168.9-64.7-179000109.3R116 Q295 A296 L299R116-L291 PolarHBondContact NH2-O 2.78Å; L291-Q295 HydrophobicContact CB-CB 4.15Å; L291-Q295 HydrophobicContact CD2-CB 4.1Å; L291-A296 HydrophobicContact CB-CB 4.31Å; L291-L299 HydrophobicContact CD1-CD2 4.38Å
292Y97Very high93.1Very high4 Ų470.6 Ų70.62%0.01637%0.368CS..PPolyproline II helixtrans-72.6158.8162.1-70.4-69.2000110.7T113 R116 L117 Q120 K153 W294 Q295 A296T113-Y292 HydrophobicContact CG2-CD1 3.77Å; T113-Y292 HydrophobicContact CG2-CE1 4.44Å; R116-Y292 HydrophobicContact CB-CE1 3.89Å; L117-Y292 HydrophobicContact CD2-CE1 4.25Å; L117-Y292 HydrophobicContact CG-CE1 4.03Å; Q120-Y292 PolarHBondContact NE2-OH 2.98Å; K153-Y292 HydrophobicContact CB-CE2 4.06Å; K153-Y292 HydrophobicContact CG-CD2 4.48Å; K153-Y292 HydrophobicContact CG-CE2 4.34Å; K153-Y292 WeakPolarHBondContact O-CE2 3.3Å; Y292-W294 VanDerWaalsContact C-N 3.25Å; Y292-W294 VanDerWaalsContact CB-CE2 3.4Å; Y292-W294 AromaticContact CD1-CH2 3.49Å; Y292-W294 HydrophobicContact CD1-CH2 3.49Å; Y292-W294 VanDerWaalsContact CD1-CH2 3.49Å; Y292-W294 AromaticContact CD1-CZ2 3.93Å; Y292-W294 HydrophobicContact CD1-CZ2 3.93Å; Y292-W294 HydrophobicContact CD1-CZ3 4.05Å; Y292-W294 AromaticContact CD2-CH2 3.91Å; Y292-W294 HydrophobicContact CD2-CH2 3.91Å; Y292-W294 AromaticContact CD2-CZ2 3.45Å; Y292-W294 HydrophobicContact CD2-CZ2 3.45Å; Y292-W294 VanDerWaalsContact CD2-CZ2 3.45Å; Y292-W294 HydrophobicContact CE1-CH2 4.11Å; Y292-W294 HydrophobicContact CE2-CH2 4.49Å; Y292-W294 HydrophobicContact CE2-CZ2 4.19Å; Y292-W294 AromaticContact CG-CE2 3.9Å; Y292-W294 AromaticContact CG-CH2 3.36Å; Y292-W294 HydrophobicContact CG-CH2 3.36Å; Y292-W294 AromaticContact CG-CZ2 3.29Å; Y292-W294 HydrophobicContact CG-CZ2 3.29Å; Y292-W294 HydrophobicContact CG-CZ3 4.03Å; Y292-W294 PolarHBondContact O-N 3.28Å; Y292-Q295 WeakPolarHBondContact O-CA 3.46Å; Y292-Q295 WeakPolarHBondContact O-CB 3.02Å; Y292-Q295 PolarHBondContact O-N 3.41Å; Y292-A296 PolarHBondContact O-N 2.88Å
293D97Very high92.2Very high28 Ų2872.4 Ų72.415%0.1536%0.363CS..Hα-helixtrans-59.1-36.9-174.5-54.1-22000112.5F109 S110 T113 Q295 A296 K297F109-D293 WeakPolarHBondContact CA-OD2 3.49Å; F109-D293 WeakPolarHBondContact CB-OD2 3.4Å; F109-D293 HydrophobicContact CD1-CB 4.09Å; F109-D293 WeakPolarHBondContact CD1-OD2 3.44Å; S110-D293 WeakPolarHBondContact CB-OD1 3.46Å; S110-D293 PolarHBondContact N-OD2 2.69Å; S110-D293 PolarHBondContact OG-OD1 2.85Å; S110-D293 PolarHBondContact OG-OD2 3.44Å; T113-D293 PolarHBondContact OG1-N 3.04Å; T113-D293 VanDerWaalsContact OG1-N 3.13Å; T113-D293 PolarHBondContact OG1-OD1 2.69Å; T113-D293 PolarHBondContact OG1-OD2 3.36Å; D293-Q295 VanDerWaalsContact C-N 3.31Å; D293-Q295 PolarHBondContact O-N 3.21Å; D293-A296 PolarHBondContact O-N 3.45Å; D293-K297 VanDerWaalsContact O-CB 3.3Å; D293-K297 WeakPolarHBondContact O-CB 3.41Å; D293-K297 PolarHBondContact O-N 3.14Å
294W94.6Very high91.4Very high23 Ų2372.5 Ų72.59%0.08737%0.369CS..Hα-helixtrans-68.2-28.7175.559.888.7000113.3L97 L100 F109 T113 L117 I145 Y292 K298L97-W294 HydrophobicContact CD2-CH2 4.07Å; L97-W294 HydrophobicContact CD2-CZ3 4.33Å; L100-W294 HydrophobicContact CB-CE3 4.41Å; L100-W294 HydrophobicContact CD1-CD2 3.79Å; L100-W294 HydrophobicContact CD1-CE3 4.12Å; L100-W294 HydrophobicContact CD1-CG 4.01Å; L100-W294 HydrophobicContact CD1-CZ2 4.48Å; L100-W294 HydrophobicContact CD2-CB 4.02Å; L100-W294 HydrophobicContact CD2-CG 4.16Å; F109-W294 HydrophobicContact CD1-CE3 4.44Å; F109-W294 HydrophobicContact CD2-CZ3 4.4Å; F109-W294 AromaticContact CE1-CE3 3.72Å; F109-W294 HydrophobicContact CE1-CE3 3.72Å; F109-W294 HydrophobicContact CE1-CZ3 4.08Å; F109-W294 HydrophobicContact CE2-CE3 4.3Å; F109-W294 AromaticContact CE2-CZ3 3.88Å; F109-W294 HydrophobicContact CE2-CZ3 3.88Å; F109-W294 AromaticContact CZ-CE3 3.66Å; F109-W294 HydrophobicContact CZ-CE3 3.66Å; F109-W294 AromaticContact CZ-CZ3 3.71Å; F109-W294 HydrophobicContact CZ-CZ3 3.71Å; T113-W294 HydrophobicContact CG2-CE3 4.49Å; T113-W294 HydrophobicContact CG2-CH2 4.27Å; T113-W294 HydrophobicContact CG2-CZ3 3.65Å; L117-W294 HydrophobicContact CD1-CH2 4.13Å; L117-W294 HydrophobicContact CD1-CZ3 4.18Å; L117-W294 HydrophobicContact CD2-CH2 4.1Å; L117-W294 HydrophobicContact CG-CH2 4.39Å; I145-W294 HydrophobicContact CG2-CZ2 3.79Å; Y292-W294 VanDerWaalsContact C-N 3.25Å; Y292-W294 VanDerWaalsContact CB-CE2 3.4Å; Y292-W294 AromaticContact CD1-CH2 3.49Å; Y292-W294 HydrophobicContact CD1-CH2 3.49Å; Y292-W294 VanDerWaalsContact CD1-CH2 3.49Å; Y292-W294 AromaticContact CD1-CZ2 3.93Å; Y292-W294 HydrophobicContact CD1-CZ2 3.93Å; Y292-W294 HydrophobicContact CD1-CZ3 4.05Å; Y292-W294 AromaticContact CD2-CH2 3.91Å; Y292-W294 HydrophobicContact CD2-CH2 3.91Å; Y292-W294 AromaticContact CD2-CZ2 3.45Å; Y292-W294 HydrophobicContact CD2-CZ2 3.45Å; Y292-W294 VanDerWaalsContact CD2-CZ2 3.45Å; Y292-W294 HydrophobicContact CE1-CH2 4.11Å; Y292-W294 HydrophobicContact CE2-CH2 4.49Å; Y292-W294 HydrophobicContact CE2-CZ2 4.19Å; Y292-W294 AromaticContact CG-CE2 3.9Å; Y292-W294 AromaticContact CG-CH2 3.36Å; Y292-W294 HydrophobicContact CG-CH2 3.36Å; Y292-W294 AromaticContact CG-CZ2 3.29Å; Y292-W294 HydrophobicContact CG-CZ2 3.29Å; Y292-W294 HydrophobicContact CG-CZ3 4.03Å; Y292-W294 PolarHBondContact O-N 3.28Å; W294-K298 WeakPolarHBondContact O-CB 3.47Å; W294-K298 PolarHBondContact O-N 2.93Å; W294-K298 VanDerWaalsContact O-N 3.13Å
295Q93.4Very high90.3Very high17 Ų1775 Ų758%0.07938%0.376CS..Hα-helixtrans-76.3-45.1174.7-61.6177.3-5800110.7L291 Y292 D293 K297 K298 L299L291-Q295 HydrophobicContact CB-CB 4.15Å; L291-Q295 HydrophobicContact CD2-CB 4.1Å; Y292-Q295 WeakPolarHBondContact O-CA 3.46Å; Y292-Q295 WeakPolarHBondContact O-CB 3.02Å; Y292-Q295 PolarHBondContact O-N 3.41Å; D293-Q295 VanDerWaalsContact C-N 3.31Å; D293-Q295 PolarHBondContact O-N 3.21Å; Q295-K297 VanDerWaalsContact C-N 3.3Å; Q295-K297 PolarHBondContact O-N 3.17Å; Q295-K298 PolarHBondContact O-N 3.45Å; Q295-L299 PolarHBondContact O-N 3.42Å
296A91.6Very high89.1Confident36 Ų3676.5 Ų76.530%0.29838%0.377SS..Hα-helixtrans-59.4-44.1176.300000110.9L291 Y292 D293 L299 L300L291-A296 HydrophobicContact CB-CB 4.31Å; Y292-A296 PolarHBondContact O-N 2.88Å; D293-A296 PolarHBondContact O-N 3.45Å; A296-L299 PolarHBondContact O-N 3.04Å; A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 2.95Å; A296-L300 VanDerWaalsContact O-N 3.09Å
297K88.4Confident87.4Confident64 Ų6478.1 Ų78.128%0.27839%0.394SS..Hα-helixtrans-58.7-52.1174.1-174.5-171.7175.7-166.80111.8F103 D293 Q295 L299 L300 D301F103-K297 PolarHBondContact O-NZ 2.9Å; D293-K297 VanDerWaalsContact O-CB 3.3Å; D293-K297 WeakPolarHBondContact O-CB 3.41Å; D293-K297 PolarHBondContact O-N 3.14Å; Q295-K297 VanDerWaalsContact C-N 3.3Å; Q295-K297 PolarHBondContact O-N 3.17Å; K297-L299 PolarHBondContact O-N 3.14Å; K297-L300 WeakPolarHBondContact O-CB 3.22Å; K297-L300 PolarHBondContact O-N 3.47Å; K297-D301 PolarHBondContact O-N 3.45Å
298K87.1Confident85.6Confident137 Ų13775.8 Ų75.860%0.59639%0.39SS*.Hα-helixtrans-55.5-42.2179.3-175.2-179.9177.3-175.30111.7W294 Q295 L300 D301 D302W294-K298 WeakPolarHBondContact O-CB 3.47Å; W294-K298 PolarHBondContact O-N 2.93Å; W294-K298 VanDerWaalsContact O-N 3.13Å; Q295-K298 PolarHBondContact O-N 3.45Å; K298-L300 VanDerWaalsContact C-N 3.34Å; K298-L300 PolarHBondContact O-N 3.09Å; K298-D301 PolarHBondContact O-N 3.19Å; K298-D302 WeakPolarHBondContact O-CB 3.29Å; K298-D302 VanDerWaalsContact O-CG 3.29Å; K298-D302 PolarHBondContact O-N 3.41Å
299L87.2Confident83.9Confident89 Ų8975.6 Ų75.647%0.46640%0.398SS..Hα-helixtrans-62.5-39.1177.4-166.984.2000112.6L291 Q295 A296 K297 K303L291-L299 HydrophobicContact CD1-CD2 4.38Å; Q295-L299 PolarHBondContact O-N 3.42Å; A296-L299 PolarHBondContact O-N 3.04Å; K297-L299 PolarHBondContact O-N 3.14Å; L299-K303 WeakPolarHBondContact O-CG 3.49Å; L299-K303 PolarHBondContact O-N 3.31Å
300L85.3Confident82.1Confident104 Ų10477 Ų7755%0.54540%0.398SS..Hα-helixtrans-67.3-48.6175.9-69.1167.8000111A296 K297 K298 D302 K303 E304A296-L300 WeakPolarHBondContact O-CG 3.46Å; A296-L300 PolarHBondContact O-N 2.95Å; A296-L300 VanDerWaalsContact O-N 3.09Å; K297-L300 WeakPolarHBondContact O-CB 3.22Å; K297-L300 PolarHBondContact O-N 3.47Å; K298-L300 VanDerWaalsContact C-N 3.34Å; K298-L300 PolarHBondContact O-N 3.09Å; L300-D302 VanDerWaalsContact C-N 3.28Å; L300-D302 PolarHBondContact O-N 2.94Å; L300-K303 PolarHBondContact O-N 2.94Å; L300-K303 VanDerWaalsContact O-N 3.14Å; L300-E304 PolarHBondContact O-N 3.17Å
301D85.6Confident80.1Confident64 Ų6481 Ų8134%0.34242%0.42SS..Hα-helixtrans-58.3-39.6179.1-64.2-11.8000111.4K297 K298 K305K297-D301 PolarHBondContact O-N 3.45Å; K298-D301 PolarHBondContact O-N 3.19Å; D301-K305 WeakPolarHBondContact O-CG 3.18Å; D301-K305 PolarHBondContact O-N 2.93Å
302D84.8Confident78Confident70 Ų7085.6 Ų85.637%0.37444%0.438SS..Hα-helixtrans-71.9-33.7178.9-71.4-21.4000112.7K298 L300 T306K298-D302 WeakPolarHBondContact O-CB 3.29Å; K298-D302 VanDerWaalsContact O-CG 3.29Å; K298-D302 PolarHBondContact O-N 3.41Å; L300-D302 VanDerWaalsContact C-N 3.28Å; L300-D302 PolarHBondContact O-N 2.94Å; D302-T306 PolarHBondContact O-N 3.32Å; D302-T306 VanDerWaalsContact O-N 3.15Å; D302-T306 PolarHBondContact O-OG1 3.2Å
303K80.9Confident75.5Confident134 Ų13498.6 Ų98.658%0.58349%0.486SS*.Hα-helixtrans-66.9-42.4173.3-77.7-177.2-175.1-173.50112L299 L300 T306 A307L299-K303 WeakPolarHBondContact O-CG 3.49Å; L299-K303 PolarHBondContact O-N 3.31Å; L300-K303 PolarHBondContact O-N 2.94Å; L300-K303 VanDerWaalsContact O-N 3.14Å; K303-T306 PolarHBondContact O-N 3.34Å; K303-A307 WeakPolarHBondContact O-CB 3.47Å; K303-A307 PolarHBondContact O-N 2.96Å
304E79.1Confident74.5Confident135 Ų135102.1 Ų102.163%0.63150%0.503SS*.Hα-helixtrans-62.9-43178-72.2-178.9174.200111.7L300 T306 A307 C308L300-E304 PolarHBondContact O-N 3.17Å; E304-T306 VanDerWaalsContact C-N 3.32Å; E304-T306 PolarHBondContact O-N 3.18Å; E304-A307 PolarHBondContact O-N 3.23Å; E304-C308 PolarHBondContact O-N 2.98Å
305K76Confident73.4Confident136 Ų136106.3 Ų106.359%0.59153%0.525SS*.Hα-helixtrans-59.5-43.6174.5-72.7175.4-173169.30112.2D301 C308 C309D301-K305 WeakPolarHBondContact O-CG 3.18Å; D301-K305 PolarHBondContact O-N 2.93Å; K305-C308 PolarHBondContact O-N 3.44Å; K305-C309 PolarHBondContact O-N 3.29Å; K305-C309 PolarHBondContact O-SG 3.19Å
306T73.1Confident72.3Confident77 Ų77111.2 Ų111.247%0.47255%0.55SS..Hα-helixtrans-65.8-44.1-179.8-530000110.8D302 K303 E304 C308 C309 F310D302-T306 PolarHBondContact O-N 3.32Å; D302-T306 VanDerWaalsContact O-N 3.15Å; D302-T306 PolarHBondContact O-OG1 3.2Å; K303-T306 PolarHBondContact O-N 3.34Å; E304-T306 VanDerWaalsContact C-N 3.32Å; E304-T306 PolarHBondContact O-N 3.18Å; T306-C308 PolarHBondContact O-N 3.47Å; T306-C309 PolarHBondContact O-N 3.35Å; T306-F310 HydrophobicContact CG2-CD2 4.19Å; T306-F310 HydrophobicContact CG2-CE2 3.8Å; T306-F310 VanDerWaalsContact O-CD2 3.22Å; T306-F310 WeakPolarHBondContact O-CD2 3.41Å; T306-F310 PolarHBondContact O-N 3.14Å
307A63.3Low71.2Confident54 Ų54115.6 Ų115.645%0.44657%0.565SS.*Hα-helixtrans-62.1-40.9177.300000112.5K303 E304 C309 F310 L311K303-A307 WeakPolarHBondContact O-CB 3.47Å; K303-A307 PolarHBondContact O-N 2.96Å; E304-A307 PolarHBondContact O-N 3.23Å; A307-C309 VanDerWaalsContact C-N 3.33Å; A307-C309 PolarHBondContact O-N 2.84Å; A307-F310 PolarHBondContact O-N 2.74Å; A307-L311 PolarHBondContact O-N 3Å
308C57.9Low70.1Confident68 Ų68118.9 Ų118.946%0.45958%0.583SS.*Hα-helixtrans-60.1-41.3173.3-85.10000112.2E304 K305 T306 F310 L311 F312E304-C308 PolarHBondContact O-N 2.98Å; K305-C308 PolarHBondContact O-N 3.44Å; T306-C308 PolarHBondContact O-N 3.47Å; C308-F310 PolarHBondContact O-N 3.41Å; C308-L311 PolarHBondContact O-N 3.06Å; C308-L311 VanDerWaalsContact O-N 3.14Å; C308-F312 WeakPolarHBondContact O-CD2 3.21Å; C308-F312 PolarHBondContact O-N 3.16Å
309C59Low68.9Low87 Ų87117.7 Ų117.759%0.58858%0.582SS**Hα-helixtrans-62.7-25.7177.6-69.80000114K305 T306 A307K305-C309 PolarHBondContact O-N 3.29Å; K305-C309 PolarHBondContact O-SG 3.19Å; T306-C309 PolarHBondContact O-N 3.35Å; A307-C309 VanDerWaalsContact C-N 3.33Å; A307-C309 PolarHBondContact O-N 2.84Å
310F54.3Low67.6Low149 Ų149119.7 Ų119.765%0.65459%0.59SS**Hα-helixtrans-82.6-23175.6-78.4-74.6000113.7T306 A307 C308 F312T306-F310 HydrophobicContact CG2-CD2 4.19Å; T306-F310 HydrophobicContact CG2-CE2 3.8Å; T306-F310 VanDerWaalsContact O-CD2 3.22Å; T306-F310 WeakPolarHBondContact O-CD2 3.41Å; T306-F310 PolarHBondContact O-N 3.14Å; A307-F310 PolarHBondContact O-N 2.74Å; C308-F310 PolarHBondContact O-N 3.41Å; F310-F312 VanDerWaalsContact C-N 3.34Å
311L51.6Low66.3Low142 Ų142120.9 Ų120.974%0.74359%0.593SS**Hα-helixtrans-81.9-13.9176.7-69.6169.5000113.1A307 C308A307-L311 PolarHBondContact O-N 3Å; C308-L311 PolarHBondContact O-N 3.06Å; C308-L311 VanDerWaalsContact O-N 3.14Å
312F51.8Low64.7Low180 Ų180125.7 Ų125.779%0.78961%0.614SS**THydrogen-bonded Turntrans-108.220.2177.8-67.4-71.1000113.6C308 F310C308-F312 WeakPolarHBondContact O-CD2 3.21Å; C308-F312 PolarHBondContact O-N 3.16Å; F310-F312 VanDerWaalsContact C-N 3.34Å
313R44.4Very low62.9Low276 Ų276130.7 Ų130.7100%1.04264%0.636SS**  trans-1180168.5-78.6-172.3176.5-159.1-0.2110

Retrieved 313 of 313 residues in 2065.9 ms (Link to these results)

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