A0A087X1P4_HUMAN Loading...

Zinc finger protein 334

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087X1P4, Species HUMAN (Homo sapiens, Human), Gene ZNF334, Length 679 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
1M46.7Very low48.1Very low240 Ų240134.1 Ų134.1100%1.18268%0.675SS**  0106.30-70.9-172.7-40.600106.4
2E33.4Very low49.4Very low150 Ų150136 Ų13670%0.70168%0.68SS**  trans-149109.4154.3-108.3165.6-167.200104.3E4E2-E4 PolarHBondContact O-N 3.46Å
3N36.9Very low50.6Low155 Ų155134.3 Ų134.383%0.82967%0.674SS**  trans-73117.4178.1-82.6-20000107.8K5N3-K5 PolarHBondContact O-N 3.19Å; N3-K5 VanDerWaalsContact O-N 3.1Å
4E39.1Very low51.6Low188 Ų188129.6 Ų129.688%0.87965%0.651SS**  trans-63108.4155-74.5-177.6162.600107E2 E6E2-E4 PolarHBondContact O-N 3.46Å; E4-E6 PolarHBondContact O-N 3.39Å; E4-E6 VanDerWaalsContact O-N 3.13Å
5K43.3Very low52.4Low196 Ų196122.5 Ų122.585%0.85262%0.618SS**  trans-68.3104.9169.8-80.6179.4175.2177.30107.2N3 I7N3-K5 PolarHBondContact O-N 3.19Å; N3-K5 VanDerWaalsContact O-N 3.1Å; K5-I7 PolarHBondContact O-N 3.28Å
6E44Very low53.4Low175 Ų175120.3 Ų120.382%0.81861%0.612SS**PPolyproline II helixtrans-54.5121.9164.2-72-179.1160.100108.6E4 P8E4-E6 PolarHBondContact O-N 3.39Å; E4-E6 VanDerWaalsContact O-N 3.13Å; E6-P8 WeakPolarHBondContact O-CD 3.24Å
7I45.8Very low54.5Low152 Ų152117.9 Ų117.978%0.77960%0.601SS**PPolyproline II helixtrans-68.1120.3170.3-60170.6000106.4K5 V9K5-I7 PolarHBondContact O-N 3.28Å; I7-V9 PolarHBondContact O-N 3.09Å
8P56Low55.5Low79 Ų79114.1 Ų114.151%0.51358%0.58SS.*PPolyproline II helixtrans-67.6118.1-177.123.8-30.1000110.1E6 S10 Y50E6-P8 WeakPolarHBondContact O-CD 3.24Å; P8-S10 PolarHBondContact O-N 3.07Å; P8-Y50 HydrophobicContact CB-CE1 3.62Å
9V57.8Low56.3Low74 Ų74110.1 Ų110.145%0.44856%0.561SS.*PPolyproline II helixtrans-62.4120174.9178.70000108.8I7 D13 L14I7-V9 PolarHBondContact O-N 3.09Å; V9-D13 HydrophobicContact CG1-CB 4.24Å; V9-L14 HydrophobicContact CG1-CD1 3.93Å; V9-L14 HydrophobicContact CG1-CD2 4.08Å; V9-L14 HydrophobicContact CG1-CG 3.82Å
10S62.4Low56.6Low50 Ų50108.2 Ų108.235%0.3555%0.55SS.*PPolyproline II helixtrans-85.5158.6177.578.70000110.8P8 Q12 D13P8-S10 PolarHBondContact O-N 3.07Å; S10-Q12 PolarHBondContact O-N 3.27Å; S10-Q12 PolarHBondContact OG-N 3.5Å; S10-D13 WeakPolarHBondContact CA-OD2 3.19Å; S10-D13 WeakPolarHBondContact CB-OD2 3.43Å; S10-D13 PolarHBondContact N-OD2 2.75Å; S10-D13 WeakPolarHBondContact O-CB 3.44Å; S10-D13 PolarHBondContact O-N 2.82Å; S10-D13 VanDerWaalsContact O-N 3.14Å; S10-D13 VanDerWaalsContact OG-CG 3.22Å; S10-D13 PolarHBondContact OG-N 3.12Å; S10-D13 PolarHBondContact OG-OD2 3.34Å
11F64.2Low57.1Low16 Ų16108.8 Ų108.87%0.0755%0.551CS.*G310 helixtrans-61.2-26.4174.9-178.6-97.9000112.2D13 L14 T15 M38 Y42 L45 V52 P55 I58F11-D13 VanDerWaalsContact C-N 3.31Å; F11-D13 PolarHBondContact O-N 3.06Å; F11-L14 CarbonylContact O-C 3.44Å; F11-L14 PolarHBondContact O-N 3.38Å; F11-T15 WeakPolarHBondContact CD1-OG1 3.38Å; F11-T15 WeakPolarHBondContact CE1-OG1 3.25Å; F11-T15 WeakPolarHBondContact O-CB 3.39Å; F11-T15 PolarHBondContact O-N 3.11Å; F11-T15 PolarHBondContact O-OG1 3.05Å; F11-M38 HydrophobicContact CE1-CE 4.39Å; F11-M38 HydrophobicContact CZ-CE 3.94Å; F11-Y42 HydrophobicContact CD2-CD2 4.24Å; F11-Y42 HydrophobicContact CE2-CD2 4.27Å; F11-Y42 HydrophobicContact CE2-CG 4.47Å; F11-L45 HydrophobicContact CB-CD1 3.71Å; F11-L45 HydrophobicContact CD2-CD1 3.67Å; F11-L45 HydrophobicContact CG-CD1 4.19Å; F11-V52 HydrophobicContact CB-CG1 4.23Å; F11-P55 HydrophobicContact CD1-CB 3.94Å; F11-P55 HydrophobicContact CD1-CG 3.42Å; F11-P55 VanDerWaalsContact CD1-CG 3.42Å; F11-P55 HydrophobicContact CE1-CB 3.83Å; F11-P55 HydrophobicContact CE1-CG 3.66Å; F11-P55 HydrophobicContact CG-CG 3.99Å; F11-P55 HydrophobicContact CZ-CG 4.42Å; F11-I58 HydrophobicContact CE1-CG1 4.07Å; F11-I58 HydrophobicContact CE2-CD1 4.12Å; F11-I58 HydrophobicContact CE2-CG1 4.16Å; F11-I58 HydrophobicContact CZ-CD1 3.6Å; F11-I58 HydrophobicContact CZ-CG1 3.52Å
12Q63.1Low58.1Low157 Ų157102 Ų10273%0.73452%0.516SS*.G310 helixtrans-69.5-30.2178.8-149145.6-6.200111.9S10 L14 T15S10-Q12 PolarHBondContact O-N 3.27Å; S10-Q12 PolarHBondContact OG-N 3.5Å; Q12-L14 PolarHBondContact O-N 3.35Å; Q12-T15 PolarHBondContact O-N 2.92Å
13D65.1Low60.2Low114 Ų11495.2 Ų95.261%0.6148%0.484SS*.G310 helixtrans-72.1-19.6174.4-54.8-48.9000112.8V9 S10 F11V9-D13 HydrophobicContact CG1-CB 4.24Å; S10-D13 WeakPolarHBondContact CA-OD2 3.19Å; S10-D13 WeakPolarHBondContact CB-OD2 3.43Å; S10-D13 PolarHBondContact N-OD2 2.75Å; S10-D13 WeakPolarHBondContact O-CB 3.44Å; S10-D13 PolarHBondContact O-N 2.82Å; S10-D13 VanDerWaalsContact O-N 3.14Å; S10-D13 VanDerWaalsContact OG-CG 3.22Å; S10-D13 PolarHBondContact OG-N 3.12Å; S10-D13 PolarHBondContact OG-OD2 3.34Å; F11-D13 VanDerWaalsContact C-N 3.31Å; F11-D13 PolarHBondContact O-N 3.06Å
14L64.1Low61.8Low68 Ų6893.8 Ų93.836%0.35647%0.473SS..G310 helixtrans-1056.1179.3-59.9179.9000112.8V9 F11 Q12 L45V9-L14 HydrophobicContact CG1-CD1 3.93Å; V9-L14 HydrophobicContact CG1-CD2 4.08Å; V9-L14 HydrophobicContact CG1-CG 3.82Å; F11-L14 CarbonylContact O-C 3.44Å; F11-L14 PolarHBondContact O-N 3.38Å; Q12-L14 PolarHBondContact O-N 3.35Å; L14-L45 HydrophobicContact CD1-CD1 4.08Å; L14-L45 HydrophobicContact CD1-CD2 3.89Å; L14-L45 HydrophobicContact CD1-CG 4.16Å
15T64.6Low63.4Low24 Ų2492.7 Ų92.715%0.14747%0.467CS..  trans-103128.5-177.1-65.60000110.7F11 Q12 N17 M38F11-T15 WeakPolarHBondContact CD1-OG1 3.38Å; F11-T15 WeakPolarHBondContact CE1-OG1 3.25Å; F11-T15 WeakPolarHBondContact O-CB 3.39Å; F11-T15 PolarHBondContact O-N 3.11Å; F11-T15 PolarHBondContact O-OG1 3.05Å; Q12-T15 PolarHBondContact O-N 2.92Å; T15-N17 WeakPolarHBondContact CG2-OD1 3.19Å; T15-M38 HydrophobicContact CG2-CE 3.56Å
16V68Low64.8Low87 Ų8784.9 Ų84.953%0.52744%0.435SS..  trans-107.2102.7172.41790000108.2F18 Y34V16-F18 HydrophobicContact CG1-CE2 4.1Å; V16-F18 HydrophobicContact CG1-CZ 4.08Å; V16-Y34 HydrophobicContact CB-CE2 4.32Å; V16-Y34 WeakPolarHBondContact O-CE2 3.26Å; V16-Y34 VanDerWaalsContact O-CZ 3.31Å; V16-Y34 PolarHBondContact O-OH 2.97Å
17N72.7Confident66Low80 Ų8080 Ų8043%0.42841%0.414SS..  trans-81142179.4-65-43.3000110.8T15 I69T15-N17 WeakPolarHBondContact CG2-OD1 3.19Å; N17-I69 HydrophobicContact CB-CD1 4.04Å
18F71.8Confident67.1Low49 Ų4978.1 Ų78.122%0.21541%0.412CS..  trans-115.7141.4174.1-70-80.6000110.2V16 E22 W23 L26 Y34V16-F18 HydrophobicContact CG1-CE2 4.1Å; V16-F18 HydrophobicContact CG1-CZ 4.08Å; F18-E22 HydrophobicContact CB-CB 4.45Å; F18-E22 HydrophobicContact CD1-CB 4.02Å; F18-W23 HydrophobicContact CB-CB 4.29Å; F18-W23 HydrophobicContact CB-CE3 3.94Å; F18-W23 AromaticContact CD2-CE3 3.72Å; F18-W23 HydrophobicContact CD2-CE3 3.72Å; F18-W23 AromaticContact CD2-CZ3 3.81Å; F18-W23 HydrophobicContact CD2-CZ3 3.81Å; F18-W23 HydrophobicContact CE2-CZ3 4.3Å; F18-W23 AromaticContact CG-CE3 3.97Å; F18-W23 HydrophobicContact CG-CE3 3.97Å; F18-L26 HydrophobicContact CD1-CD1 4.3Å; F18-L26 HydrophobicContact CD2-CD1 4.41Å; F18-L26 HydrophobicContact CE1-CD1 4.06Å; F18-L26 HydrophobicContact CE2-CD1 4.18Å; F18-L26 HydrophobicContact CG-CD1 4.47Å; F18-L26 HydrophobicContact CZ-CD1 3.99Å; F18-Y34 HydrophobicContact CD2-CD2 4.22Å; F18-Y34 AromaticContact CD2-CE2 3.93Å; F18-Y34 HydrophobicContact CD2-CE2 3.93Å; F18-Y34 AromaticContact CE2-CD2 3.53Å; F18-Y34 HydrophobicContact CE2-CD2 3.53Å; F18-Y34 AromaticContact CE2-CE2 3.56Å; F18-Y34 HydrophobicContact CE2-CE2 3.56Å; F18-Y34 HydrophobicContact CE2-CG 4.21Å
19T70.9Confident67.5Low37 Ų3777.6 Ų77.623%0.22741%0.414CS..BIsolated β-bridgetrans-72.2166.6165.569.10000110.4E21 E22 W23T19-E21 VanDerWaalsContact C-N 3.26Å; T19-E21 PolarHBondContact O-N 3.03Å; T19-E21 PolarHBondContact OG1-OE2 3.11Å; T19-E22 PolarHBondContact N-OE2 3.49Å; T19-E22 PolarHBondContact O-N 3.22Å; T19-E22 VanDerWaalsContact OG1-CG 3.29Å; T19-E22 WeakPolarHBondContact OG1-CG 3.15Å; T19-E22 PolarHBondContact OG1-N 2.77Å; T19-E22 PolarHBondContact OG1-OE2 3.2Å; T19-W23 WeakPolarHBondContact O-CB 3.42Å; T19-W23 PolarHBondContact O-N 2.94Å
20Q62.8Low67.9Low72 Ų7278.4 Ų78.434%0.33641%0.413SS..Hα-helixtrans-61.2-38.6179.7-174.1171.4-17.400111.6Q24 W68Q20-Q24 WeakPolarHBondContact O-CG 3.41Å; Q20-Q24 PolarHBondContact O-N 3.11Å; Q20-Q24 VanDerWaalsContact O-N 3.12Å; Q20-W68 HydrophobicContact CB-CB 4.42Å; Q20-W68 HydrophobicContact CB-CG 3.98Å; Q20-W68 HydrophobicContact CG-CD2 4.25Å; Q20-W68 HydrophobicContact CG-CG 4.1Å
21E65.4Low68.6Low121 Ų12179 Ų7957%0.56541%0.408SS*.Hα-helixtrans-68.4-41.6-179.7-63.269.1-149.100111.3T19 Q25T19-E21 VanDerWaalsContact C-N 3.26Å; T19-E21 PolarHBondContact O-N 3.03Å; T19-E21 PolarHBondContact OG1-OE2 3.11Å; E21-Q25 WeakPolarHBondContact O-CG 3.46Å; E21-Q25 PolarHBondContact O-N 2.87Å
22E68.5Low69Low98 Ų9882.9 Ų82.946%0.45843%0.429SS..Hα-helixtrans-69.7-40.6177.1-68.6175.1150.300111.6F18 T19 Q24 Q25 L26F18-E22 HydrophobicContact CB-CB 4.45Å; F18-E22 HydrophobicContact CD1-CB 4.02Å; T19-E22 PolarHBondContact N-OE2 3.49Å; T19-E22 PolarHBondContact O-N 3.22Å; T19-E22 VanDerWaalsContact OG1-CG 3.29Å; T19-E22 WeakPolarHBondContact OG1-CG 3.15Å; T19-E22 PolarHBondContact OG1-N 2.77Å; T19-E22 PolarHBondContact OG1-OE2 3.2Å; E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 PolarHBondContact O-N 3.28Å; E22-Q25 PolarHBondContact O-N 2.75Å; E22-Q25 VanDerWaalsContact O-N 3.14Å; E22-L26 PolarHBondContact O-N 3.09Å
23W77.4Confident69.5Low8 Ų880.6 Ų80.63%0.0342%0.421CS..Hα-helixtrans-61.9-38.1177.6-171.4-98.7000112F18 T19 Q25 L26 R31 Y34 E66 P67 W68F18-W23 HydrophobicContact CB-CB 4.29Å; F18-W23 HydrophobicContact CB-CE3 3.94Å; F18-W23 AromaticContact CD2-CE3 3.72Å; F18-W23 HydrophobicContact CD2-CE3 3.72Å; F18-W23 AromaticContact CD2-CZ3 3.81Å; F18-W23 HydrophobicContact CD2-CZ3 3.81Å; F18-W23 HydrophobicContact CE2-CZ3 4.3Å; F18-W23 AromaticContact CG-CE3 3.97Å; F18-W23 HydrophobicContact CG-CE3 3.97Å; T19-W23 WeakPolarHBondContact O-CB 3.42Å; T19-W23 PolarHBondContact O-N 2.94Å; W23-Q25 VanDerWaalsContact C-N 3.26Å; W23-Q25 PolarHBondContact O-N 3.39Å; W23-L26 HydrophobicContact CD2-CD1 4.48Å; W23-L26 HydrophobicContact CE3-CD1 3.86Å; W23-L26 HydrophobicContact CZ3-CD1 4.09Å; W23-L26 WeakPolarHBondContact O-CB 3.36Å; W23-L26 PolarHBondContact O-N 3.36Å; W23-R31 HydrophobicContact CH2-CB 4.17Å; W23-R31 HydrophobicContact CH2-CG 4.25Å; W23-R31 HydrophobicContact CZ2-CB 3.84Å; W23-R31 HydrophobicContact CZ2-CG 3.8Å; W23-R31 VanDerWaalsContact O-CZ 3.29Å; W23-R31 PolarHBondContact O-NE 3.46Å; W23-R31 VanDerWaalsContact O-NE 3.07Å; W23-R31 PolarHBondContact O-NH2 3.43Å; W23-R31 VanDerWaalsContact O-NH2 3.11Å; W23-Y34 AromaticContact CH2-CD1 3.35Å; W23-Y34 HydrophobicContact CH2-CD1 3.35Å; W23-Y34 AromaticContact CH2-CE1 3.89Å; W23-Y34 HydrophobicContact CH2-CE1 3.89Å; W23-Y34 HydrophobicContact CH2-CG 4.02Å; W23-Y34 AromaticContact CZ3-CD1 3.36Å; W23-Y34 HydrophobicContact CZ3-CD1 3.36Å; W23-Y34 AromaticContact CZ3-CE1 3.65Å; W23-Y34 HydrophobicContact CZ3-CE1 3.65Å; W23-Y34 AromaticContact CZ3-CG 3.81Å; W23-Y34 HydrophobicContact CZ3-CG 3.81Å; W23-E66 PolarHBondContact NE1-OE1 2.96Å; W23-P67 HydrophobicContact CH2-CG 4.11Å; W23-P67 HydrophobicContact CZ2-CG 4.33Å; W23-P67 HydrophobicContact CZ3-CG 4.41Å; W23-W68 HydrophobicContact CB-CB 4.42Å; W23-W68 AromaticContact CD1-CE3 3.62Å; W23-W68 AromaticContact CD1-CZ3 3.99Å; W23-W68 HydrophobicContact CG-CE3 4.21Å
24Q70.6Confident70.2Confident125 Ų12576.3 Ų76.358%0.58440%0.396SS*.Hα-helixtrans-66.7-26.2177.6-76.4-171.98.600113.5Q20 E22 L26 R31Q20-Q24 WeakPolarHBondContact O-CG 3.41Å; Q20-Q24 PolarHBondContact O-N 3.11Å; Q20-Q24 VanDerWaalsContact O-N 3.12Å; E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 PolarHBondContact O-N 3.28Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; Q24-R31 PolarHBondContact O-NH2 3.4Å
25Q71.8Confident70.7Confident164 Ų16477 Ų7777%0.76639%0.394SS*.Hα-helixtrans-78.6-17.3176.9-66.5-179.82400113.3E21 E22 W23E21-Q25 WeakPolarHBondContact O-CG 3.46Å; E21-Q25 PolarHBondContact O-N 2.87Å; E22-Q25 PolarHBondContact O-N 2.75Å; E22-Q25 VanDerWaalsContact O-N 3.14Å; W23-Q25 VanDerWaalsContact C-N 3.26Å; W23-Q25 PolarHBondContact O-N 3.39Å
26L72.7Confident71.2Confident32 Ų3280 Ų8017%0.16841%0.409CS..SBendtrans-72.8132.6176.6-62.7178.8000111.2F18 E22 W23 Q24 Q30 R31F18-L26 HydrophobicContact CD1-CD1 4.3Å; F18-L26 HydrophobicContact CD2-CD1 4.41Å; F18-L26 HydrophobicContact CE1-CD1 4.06Å; F18-L26 HydrophobicContact CE2-CD1 4.18Å; F18-L26 HydrophobicContact CG-CD1 4.47Å; F18-L26 HydrophobicContact CZ-CD1 3.99Å; E22-L26 PolarHBondContact O-N 3.09Å; W23-L26 HydrophobicContact CD2-CD1 4.48Å; W23-L26 HydrophobicContact CE3-CD1 3.86Å; W23-L26 HydrophobicContact CZ3-CD1 4.09Å; W23-L26 WeakPolarHBondContact O-CB 3.36Å; W23-L26 PolarHBondContact O-N 3.36Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; L26-Q30 HydrophobicContact CB-CB 4.17Å; L26-Q30 HydrophobicContact CD2-CB 4.25Å; L26-R31 HydrophobicContact CB-CG 3.72Å; L26-R31 HydrophobicContact CD1-CG 4.44Å; L26-R31 PolarHBondContact O-NE 3Å; L26-R31 PolarHBondContact O-NH2 3.32Å; L26-R31 VanDerWaalsContact O-NH2 3.08Å
27D70.8Confident71.7Confident73 Ų7378.6 Ų78.639%0.3940%0.401SS..  trans-71.4161.8173.879.152.2000111.6A29 Q30 R31D27-A29 PolarHBondContact O-N 3.48Å; D27-A29 VanDerWaalsContact O-N 3.1Å; D27-A29 WeakPolarHBondContact OD1-CA 3.19Å; D27-A29 VanDerWaalsContact OD1-CB 3.3Å; D27-A29 WeakPolarHBondContact OD1-CB 3.49Å; D27-A29 PolarHBondContact OD1-N 3.27Å; D27-Q30 WeakPolarHBondContact O-CB 3.28Å; D27-Q30 PolarHBondContact O-N 3.4Å; D27-Q30 PolarHBondContact OD1-N 2.82Å; D27-Q30 PolarHBondContact OD2-OE1 3.45Å; D27-R31 PolarHBondContact O-N 2.98Å
28P68.1Low71.9Confident112 Ų11275 Ų7573%0.72738%0.382SS*.Hα-helixtrans-59.5-25.7-175.6-26.435.5000115.1L32P28-L32 WeakPolarHBondContact O-CB 3.49Å; P28-L32 PolarHBondContact O-N 3.17Å
29A65.8Low72.1Confident68 Ų6874.8 Ų74.856%0.56238%0.383SS*.Hα-helixtrans-78.5-35.3176.600000111.3D27 L32 L33D27-A29 PolarHBondContact O-N 3.48Å; D27-A29 VanDerWaalsContact O-N 3.1Å; D27-A29 WeakPolarHBondContact OD1-CA 3.19Å; D27-A29 VanDerWaalsContact OD1-CB 3.3Å; D27-A29 WeakPolarHBondContact OD1-CB 3.49Å; D27-A29 PolarHBondContact OD1-N 3.27Å; A29-L32 PolarHBondContact O-N 3.27Å; A29-L33 WeakPolarHBondContact O-CB 3.47Å; A29-L33 PolarHBondContact O-N 3.14Å
30Q65.3Low72.4Confident92 Ų9278.7 Ų78.743%0.4340%0.398SS..Hα-helixtrans-68-42.1175.5-67.2173.9-40.200112L26 D27 L32 L33 Y34L26-Q30 HydrophobicContact CB-CB 4.17Å; L26-Q30 HydrophobicContact CD2-CB 4.25Å; D27-Q30 WeakPolarHBondContact O-CB 3.28Å; D27-Q30 PolarHBondContact O-N 3.4Å; D27-Q30 PolarHBondContact OD1-N 2.82Å; D27-Q30 PolarHBondContact OD2-OE1 3.45Å; Q30-L32 VanDerWaalsContact C-N 3.32Å; Q30-L32 PolarHBondContact O-N 3.01Å; Q30-L33 PolarHBondContact O-N 3.39Å; Q30-Y34 PolarHBondContact O-N 2.8Å
31R77.8Confident72.9Confident61 Ų6177.5 Ų77.523%0.2339%0.394CS..Hα-helixtrans-63.5-38.4174.8-63.6-176.8-166178.29.5112.4W23 Q24 L26 D27 Y34 R35 E66W23-R31 HydrophobicContact CH2-CB 4.17Å; W23-R31 HydrophobicContact CH2-CG 4.25Å; W23-R31 HydrophobicContact CZ2-CB 3.84Å; W23-R31 HydrophobicContact CZ2-CG 3.8Å; W23-R31 VanDerWaalsContact O-CZ 3.29Å; W23-R31 PolarHBondContact O-NE 3.46Å; W23-R31 VanDerWaalsContact O-NE 3.07Å; W23-R31 PolarHBondContact O-NH2 3.43Å; W23-R31 VanDerWaalsContact O-NH2 3.11Å; Q24-R31 PolarHBondContact O-NH2 3.4Å; L26-R31 HydrophobicContact CB-CG 3.72Å; L26-R31 HydrophobicContact CD1-CG 4.44Å; L26-R31 PolarHBondContact O-NE 3Å; L26-R31 PolarHBondContact O-NH2 3.32Å; L26-R31 VanDerWaalsContact O-NH2 3.08Å; D27-R31 PolarHBondContact O-N 2.98Å; R31-Y34 PolarHBondContact O-N 3.42Å; R31-R35 PolarHBondContact O-N 3.19Å; R31-R35 VanDerWaalsContact O-N 3.08Å; R31-E66 IonicContact CZ-OE1 3.92Å; R31-E66 IonicContact NH1-OE1 2.9Å; R31-E66 PolarHBondContact NH1-OE1 2.99Å
32L71.3Confident73.4Confident98 Ų9873.5 Ų73.551%0.51337%0.374SS..Hα-helixtrans-67.1-42.5176.4-170.270.7000111.3P28 A29 Q30 R35 D36P28-L32 WeakPolarHBondContact O-CB 3.49Å; P28-L32 PolarHBondContact O-N 3.17Å; A29-L32 PolarHBondContact O-N 3.27Å; Q30-L32 VanDerWaalsContact C-N 3.32Å; Q30-L32 PolarHBondContact O-N 3.01Å; L32-R35 PolarHBondContact O-N 3.29Å; L32-D36 PolarHBondContact O-N 3.04Å
33L74.5Confident73.6Confident109 Ų10971.8 Ų71.857%0.57137%0.373SS*.Hα-helixtrans-61.9-44.1175.7-179.263.1000111.4A29 Q30 R35 D36 V37A29-L33 WeakPolarHBondContact O-CB 3.47Å; A29-L33 PolarHBondContact O-N 3.14Å; Q30-L33 PolarHBondContact O-N 3.39Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 2.99Å; L33-D36 PolarHBondContact O-N 3.11Å; L33-V37 HydrophobicContact CD1-CG2 4.01Å; L33-V37 HydrophobicContact CG-CG2 4.3Å; L33-V37 WeakPolarHBondContact O-CB 3.26Å; L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.12Å; L33-V37 PolarHBondContact O-N 2.76Å
34Y79.4Confident73.4Confident24 Ų2475.3 Ų75.39%0.09439%0.393CS..Hα-helixtrans-57.6-46.2175.4176.2-95.9000111.8V16 F18 W23 Q30 R31 D36 V37 M38 L61 P67V16-Y34 HydrophobicContact CB-CE2 4.32Å; V16-Y34 WeakPolarHBondContact O-CE2 3.26Å; V16-Y34 VanDerWaalsContact O-CZ 3.31Å; V16-Y34 PolarHBondContact O-OH 2.97Å; F18-Y34 HydrophobicContact CD2-CD2 4.22Å; F18-Y34 AromaticContact CD2-CE2 3.93Å; F18-Y34 HydrophobicContact CD2-CE2 3.93Å; F18-Y34 AromaticContact CE2-CD2 3.53Å; F18-Y34 HydrophobicContact CE2-CD2 3.53Å; F18-Y34 AromaticContact CE2-CE2 3.56Å; F18-Y34 HydrophobicContact CE2-CE2 3.56Å; F18-Y34 HydrophobicContact CE2-CG 4.21Å; W23-Y34 AromaticContact CH2-CD1 3.35Å; W23-Y34 HydrophobicContact CH2-CD1 3.35Å; W23-Y34 AromaticContact CH2-CE1 3.89Å; W23-Y34 HydrophobicContact CH2-CE1 3.89Å; W23-Y34 HydrophobicContact CH2-CG 4.02Å; W23-Y34 AromaticContact CZ3-CD1 3.36Å; W23-Y34 HydrophobicContact CZ3-CD1 3.36Å; W23-Y34 AromaticContact CZ3-CE1 3.65Å; W23-Y34 HydrophobicContact CZ3-CE1 3.65Å; W23-Y34 AromaticContact CZ3-CG 3.81Å; W23-Y34 HydrophobicContact CZ3-CG 3.81Å; Q30-Y34 PolarHBondContact O-N 2.8Å; R31-Y34 PolarHBondContact O-N 3.42Å; Y34-D36 PolarHBondContact O-N 3.41Å; Y34-V37 PolarHBondContact O-N 2.83Å; Y34-M38 HydrophobicContact CD1-CG 4.2Å; Y34-M38 HydrophobicContact CD2-CG 4.01Å; Y34-M38 HydrophobicContact CE1-CG 3.93Å; Y34-M38 HydrophobicContact CE2-CG 3.64Å; Y34-M38 HydrophobicContact CE2-SD 4.05Å; Y34-M38 HydrophobicContact CG-CG 4.3Å; Y34-M38 WeakPolarHBondContact O-CB 2.93Å; Y34-M38 WeakPolarHBondContact O-CG 3.37Å; Y34-M38 PolarHBondContact O-N 3.43Å; Y34-L61 HydrophobicContact CE1-CD1 4.32Å; Y34-P67 HydrophobicContact CE1-CG 3.95Å
35R74.3Confident73.2Confident82 Ų8270.2 Ų70.231%0.30937%0.369SS..Hα-helixtrans-58.2-48.5176.4176.6175.6-168.9-166.94.4112.1R31 L32 L33 M38 L39 L61 E62R31-R35 PolarHBondContact O-N 3.19Å; R31-R35 VanDerWaalsContact O-N 3.08Å; L32-R35 PolarHBondContact O-N 3.29Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 2.99Å; R35-M38 PolarHBondContact O-N 3.49Å; R35-L39 HydrophobicContact CG-CD1 3.94Å; R35-L39 WeakPolarHBondContact O-CB 3.43Å; R35-L39 VanDerWaalsContact O-CG 3.29Å; R35-L39 WeakPolarHBondContact O-CG 3.27Å; R35-L39 PolarHBondContact O-N 3.38Å; R35-L39 VanDerWaalsContact O-N 3.1Å; R35-L61 HydrophobicContact CB-CD2 4.01Å; R35-L61 HydrophobicContact CG-CB 4.47Å; R35-L61 HydrophobicContact CG-CD2 3.96Å; R35-L61 PolarHBondContact NE-O 2.84Å; R35-L61 PolarHBondContact NH2-O 3.09Å; R35-E62 PolarHBondContact NH2-O 3.37Å
36D76.3Confident73Confident87 Ų8765.6 Ų65.647%0.46535%0.352SS..Hα-helixtrans-64.4-43.8-177.4-71.3-15.3000111.1L32 L33 Y34 E40L32-D36 PolarHBondContact O-N 3.04Å; L33-D36 PolarHBondContact O-N 3.11Å; Y34-D36 PolarHBondContact O-N 3.41Å; D36-E40 VanDerWaalsContact O-CB 3.29Å; D36-E40 WeakPolarHBondContact O-CB 2.89Å; D36-E40 PolarHBondContact O-N 3.22Å
37V77.2Confident72.8Confident59 Ų5968.5 Ų68.536%0.35838%0.375SS..Hα-helixtrans-64.9-43.7179.2171.50000111.6L33 Y34 E40 N41L33-V37 HydrophobicContact CD1-CG2 4.01Å; L33-V37 HydrophobicContact CG-CG2 4.3Å; L33-V37 WeakPolarHBondContact O-CB 3.26Å; L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.12Å; L33-V37 PolarHBondContact O-N 2.76Å; Y34-V37 PolarHBondContact O-N 2.83Å; V37-E40 PolarHBondContact O-N 2.81Å; V37-N41 WeakPolarHBondContact O-CB 3.36Å; V37-N41 PolarHBondContact O-N 3.3Å
38M77.5Confident72.6Confident3 Ų370.3 Ų70.32%0.01539%0.389CS..Hα-helixtrans-67.8-39.2-178.9-69.4-62.5-7600112.4F11 T15 Y34 R35 Y42 I58 L61F11-M38 HydrophobicContact CE1-CE 4.39Å; F11-M38 HydrophobicContact CZ-CE 3.94Å; T15-M38 HydrophobicContact CG2-CE 3.56Å; Y34-M38 HydrophobicContact CD1-CG 4.2Å; Y34-M38 HydrophobicContact CD2-CG 4.01Å; Y34-M38 HydrophobicContact CE1-CG 3.93Å; Y34-M38 HydrophobicContact CE2-CG 3.64Å; Y34-M38 HydrophobicContact CE2-SD 4.05Å; Y34-M38 HydrophobicContact CG-CG 4.3Å; Y34-M38 WeakPolarHBondContact O-CB 2.93Å; Y34-M38 WeakPolarHBondContact O-CG 3.37Å; Y34-M38 PolarHBondContact O-N 3.43Å; R35-M38 PolarHBondContact O-N 3.49Å; M38-Y42 PolarHBondContact O-N 2.9Å; M38-Y42 VanDerWaalsContact O-N 3.09Å; M38-I58 HydrophobicContact CB-CD1 4.31Å; M38-I58 VanDerWaalsContact O-CD1 3.32Å; M38-I58 WeakPolarHBondContact O-CD1 3.47Å; M38-L61 HydrophobicContact CB-CD1 3.84Å; M38-L61 HydrophobicContact CG-CD1 4.49Å
39L75.5Confident72Confident45 Ų4567.6 Ų67.624%0.23638%0.381CS..Hα-helixtrans-68.1-38.8174.5-68.8174.7000112.1R35 S43 I58 L61 E62R35-L39 HydrophobicContact CG-CD1 3.94Å; R35-L39 WeakPolarHBondContact O-CB 3.43Å; R35-L39 VanDerWaalsContact O-CG 3.29Å; R35-L39 WeakPolarHBondContact O-CG 3.27Å; R35-L39 PolarHBondContact O-N 3.38Å; R35-L39 VanDerWaalsContact O-N 3.1Å; L39-S43 WeakPolarHBondContact O-CB 3.13Å; L39-S43 PolarHBondContact O-N 3.44Å; L39-I58 HydrophobicContact CD2-CD1 4.17Å; L39-I58 HydrophobicContact CD2-CG2 4Å; L39-L61 HydrophobicContact CD2-CB 4.36Å; L39-E62 HydrophobicContact CD2-CG 3.78Å
40E77.9Confident71.8Confident119 Ų11968.8 Ų68.856%0.55637%0.372SS*.Hα-helixtrans-66.4-43.4176.2-174.7168.7-16500111.4D36 V37 Y42 S43 N44D36-E40 VanDerWaalsContact O-CB 3.29Å; D36-E40 WeakPolarHBondContact O-CB 2.89Å; D36-E40 PolarHBondContact O-N 3.22Å; V37-E40 PolarHBondContact O-N 2.81Å; E40-Y42 PolarHBondContact O-N 3.09Å; E40-S43 PolarHBondContact O-N 3.18Å; E40-N44 WeakPolarHBondContact O-CB 3.36Å; E40-N44 PolarHBondContact O-N 2.85Å; E40-N44 PolarHBondContact O-ND2 3.35Å
41N73.6Confident71.3Confident47 Ų4774 Ų7425%0.25140%0.396SS..Hα-helixtrans-60.6-45.6175.7-73.9-9.3000111.9V37 N44 L45V37-N41 WeakPolarHBondContact O-CB 3.36Å; V37-N41 PolarHBondContact O-N 3.3Å; N41-N44 PolarHBondContact O-N 2.71Å; N41-L45 WeakPolarHBondContact O-CG 3.26Å; N41-L45 PolarHBondContact O-N 3.43Å
42Y75Confident70.5Confident37 Ų3773.2 Ų73.215%0.14540%0.398CS..Hα-helixtrans-61.4-46.5174.7178.7-108.2000112F11 M38 E40 N44 L45 V46 K54 P55 I58F11-Y42 HydrophobicContact CD2-CD2 4.24Å; F11-Y42 HydrophobicContact CE2-CD2 4.27Å; F11-Y42 HydrophobicContact CE2-CG 4.47Å; M38-Y42 PolarHBondContact O-N 2.9Å; M38-Y42 VanDerWaalsContact O-N 3.09Å; E40-Y42 PolarHBondContact O-N 3.09Å; Y42-N44 VanDerWaalsContact C-N 3.26Å; Y42-N44 PolarHBondContact O-N 3.41Å; Y42-L45 PolarHBondContact O-N 3.19Å; Y42-V46 HydrophobicContact CD1-CG2 4.43Å; Y42-V46 HydrophobicContact CD2-CG2 4.37Å; Y42-V46 HydrophobicContact CE1-CG2 4Å; Y42-V46 HydrophobicContact CE2-CG2 3.9Å; Y42-V46 WeakPolarHBondContact O-CG2 3.41Å; Y42-V46 PolarHBondContact O-N 3.31Å; Y42-K54 HydrophobicContact CE1-CG 4.36Å; Y42-P55 HydrophobicContact CD2-CG 4.42Å; Y42-P55 VanDerWaalsContact CE2-CD 3.47Å; Y42-P55 HydrophobicContact CE2-CG 4.42Å; Y42-I58 HydrophobicContact CD1-CG2 3.78Å; Y42-I58 HydrophobicContact CD2-CG1 4.28Å; Y42-I58 HydrophobicContact CE1-CG2 4.17Å; Y42-I58 HydrophobicContact CG-CD1 4.34Å; Y42-I58 HydrophobicContact CG-CG1 4.02Å; Y42-I58 HydrophobicContact CG-CG2 4.08Å
43S73.8Confident70Confident63 Ų6373.9 Ų73.944%0.44141%0.41SS..Hα-helixtrans-60-37.3178-176.20000112.1L39 E40 S47L39-S43 WeakPolarHBondContact O-CB 3.13Å; L39-S43 PolarHBondContact O-N 3.44Å; E40-S43 PolarHBondContact O-N 3.18Å; S43-S47 VanDerWaalsContact O-CB 3.29Å; S43-S47 WeakPolarHBondContact O-CB 3.43Å; S43-S47 PolarHBondContact O-N 3.07Å; S43-S47 PolarHBondContact O-OG 2.87Å
44N73.5Confident69.8Low81 Ų8172.6 Ų72.643%0.43340%0.4SS..Hα-helixtrans-69.6-44.4178-71.9-24.9000111.4E40 N41 Y42 V46 S47 V48E40-N44 WeakPolarHBondContact O-CB 3.36Å; E40-N44 PolarHBondContact O-N 2.85Å; E40-N44 PolarHBondContact O-ND2 3.35Å; N41-N44 PolarHBondContact O-N 2.71Å; Y42-N44 VanDerWaalsContact C-N 3.26Å; Y42-N44 PolarHBondContact O-N 3.41Å; N44-V46 PolarHBondContact O-N 3.17Å; N44-S47 PolarHBondContact O-N 3.19Å; N44-V48 VanDerWaalsContact O-CG2 3.25Å; N44-V48 WeakPolarHBondContact O-CG2 3.45Å; N44-V48 PolarHBondContact O-N 3.28Å
45L65.2Low69.5Low18 Ų1872.8 Ų72.89%0.09440%0.404CS..Hα-helixtrans-60.3-43.6176-70-179000112.3F11 L14 N41 Y42 S47 V48 Y50F11-L45 HydrophobicContact CB-CD1 3.71Å; F11-L45 HydrophobicContact CD2-CD1 3.67Å; F11-L45 HydrophobicContact CG-CD1 4.19Å; L14-L45 HydrophobicContact CD1-CD1 4.08Å; L14-L45 HydrophobicContact CD1-CD2 3.89Å; L14-L45 HydrophobicContact CD1-CG 4.16Å; N41-L45 WeakPolarHBondContact O-CG 3.26Å; N41-L45 PolarHBondContact O-N 3.43Å; Y42-L45 PolarHBondContact O-N 3.19Å; L45-S47 VanDerWaalsContact C-N 3.34Å; L45-S47 PolarHBondContact O-N 3.4Å; L45-V48 PolarHBondContact O-N 2.93Å; L45-Y50 PolarHBondContact O-N 3.04Å
46V68.3Low69.2Low68 Ų6874.9 Ų74.941%0.41242%0.422SS..Hα-helixtrans-64.4-39.2175.9175.60000111.3Y42 N44 V48 G49Y42-V46 HydrophobicContact CD1-CG2 4.43Å; Y42-V46 HydrophobicContact CD2-CG2 4.37Å; Y42-V46 HydrophobicContact CE1-CG2 4Å; Y42-V46 HydrophobicContact CE2-CG2 3.9Å; Y42-V46 WeakPolarHBondContact O-CG2 3.41Å; Y42-V46 PolarHBondContact O-N 3.31Å; N44-V46 PolarHBondContact O-N 3.17Å; V46-V48 VanDerWaalsContact C-N 3.29Å; V46-V48 PolarHBondContact O-N 3.09Å; V46-G49 PolarHBondContact O-N 3.43Å; V46-G49 VanDerWaalsContact O-N 3.13Å
47S67.7Low68.7Low92 Ų9272.1 Ų72.164%0.64341%0.408SS*.Hα-helixtrans-69.8-25-179.5-61.50000113.6S43 N44 L45S43-S47 VanDerWaalsContact O-CB 3.29Å; S43-S47 WeakPolarHBondContact O-CB 3.43Å; S43-S47 PolarHBondContact O-N 3.07Å; S43-S47 PolarHBondContact O-OG 2.87Å; N44-S47 PolarHBondContact O-N 3.19Å; L45-S47 VanDerWaalsContact C-N 3.34Å; L45-S47 PolarHBondContact O-N 3.4Å
48V66.4Low68.7Low111 Ų11169.3 Ų69.367%0.67339%0.391SS*.THydrogen-bonded Turntrans-84.80.7175.8-177.50000111.6N44 L45 V46 Y50N44-V48 VanDerWaalsContact O-CG2 3.25Å; N44-V48 WeakPolarHBondContact O-CG2 3.45Å; N44-V48 PolarHBondContact O-N 3.28Å; L45-V48 PolarHBondContact O-N 2.93Å; V46-V48 VanDerWaalsContact C-N 3.29Å; V46-V48 PolarHBondContact O-N 3.09Å; V48-Y50 HydrophobicContact CG1-CD2 4.4Å; V48-Y50 HydrophobicContact CG1-CE2 4.31Å
49G56.3Low68.6Low56 Ų5674.2 Ų74.258%0.57741%0.413SS*.THydrogen-bonded Turntrans94.510.9171.300000114.8V46 H51V46-G49 PolarHBondContact O-N 3.43Å; V46-G49 VanDerWaalsContact O-N 3.13Å; G49-H51 PolarHBondContact O-N 3.49Å
50Y61.7Low68.3Low93 Ų9376.3 Ų76.337%0.36542%0.42SS..  trans-77.2120.7173.2-77-89.4000110.7P8 L45 V48 V52P8-Y50 HydrophobicContact CB-CE1 3.62Å; L45-Y50 PolarHBondContact O-N 3.04Å; V48-Y50 HydrophobicContact CG1-CD2 4.4Å; V48-Y50 HydrophobicContact CG1-CE2 4.31Å; Y50-V52 VanDerWaalsContact C-N 3.33Å; Y50-V52 PolarHBondContact O-N 3.36Å
51H55.1Low68Low201 Ų20170.9 Ų70.993%0.93139%0.394SS*.  trans-79.580.9172.2-83.1-79.8000110.2G49G49-H51 PolarHBondContact O-N 3.49Å
52V59.9Low68Low45 Ų4573 Ų7327%0.27340%0.403SS..  trans-96.5117.4174-171.80000108.9F11 Y50 K54 P55F11-V52 HydrophobicContact CB-CG1 4.23Å; Y50-V52 VanDerWaalsContact C-N 3.33Å; Y50-V52 PolarHBondContact O-N 3.36Å; V52-K54 PolarHBondContact O-N 3.47Å; V52-P55 HydrophobicContact CG1-CG 4.32Å
53S61.5Low67.6Low111 Ų11177 Ų7778%0.77642%0.423SS*.  trans-52.8129.7168-60.70000108.8P55S53-P55 WeakPolarHBondContact O-CD 3.26Å
54K69.8Low66.9Low83 Ų8376.2 Ų76.236%0.36142%0.424SS..  trans-54.8114.6-170.7-170.4173.9-166.2162.20110.9Y42 V52 I58 E62Y42-K54 HydrophobicContact CE1-CG 4.36Å; V52-K54 PolarHBondContact O-N 3.47Å; K54-I58 HydrophobicContact CG-CB 4.48Å; K54-I58 HydrophobicContact CG-CG2 4.18Å; K54-E62 WeakPolarHBondContact CE-OE1 3.16Å; K54-E62 WeakPolarHBondContact CE-OE2 3.36Å; K54-E62 IonicContact NZ-OE1 3.37Å; K54-E62 PolarHBondContact NZ-OE1 3.21Å; K54-E62 IonicContact NZ-OE2 3.28Å; K54-E62 PolarHBondContact NZ-OE2 3.36Å
55P72.1Confident66.5Low27 Ų2777.7 Ų77.718%0.17543%0.428CS..  trans-66.5143.6-177.2-22.134000111.6F11 Y42 V52 S53 V57 I58 F59F11-P55 HydrophobicContact CD1-CB 3.94Å; F11-P55 HydrophobicContact CD1-CG 3.42Å; F11-P55 VanDerWaalsContact CD1-CG 3.42Å; F11-P55 HydrophobicContact CE1-CB 3.83Å; F11-P55 HydrophobicContact CE1-CG 3.66Å; F11-P55 HydrophobicContact CG-CG 3.99Å; F11-P55 HydrophobicContact CZ-CG 4.42Å; Y42-P55 HydrophobicContact CD2-CG 4.42Å; Y42-P55 VanDerWaalsContact CE2-CD 3.47Å; Y42-P55 HydrophobicContact CE2-CG 4.42Å; V52-P55 HydrophobicContact CG1-CG 4.32Å; S53-P55 WeakPolarHBondContact O-CD 3.26Å; P55-V57 PolarHBondContact O-N 3.11Å; P55-V57 VanDerWaalsContact O-N 3.16Å; P55-I58 HydrophobicContact CB-CG1 4.39Å; P55-I58 HydrophobicContact CG-CG1 4.42Å; P55-I58 WeakPolarHBondContact O-CA 3.41Å; P55-I58 WeakPolarHBondContact O-CB 3.42Å; P55-I58 PolarHBondContact O-N 3.14Å; P55-F59 PolarHBondContact O-N 3.36Å; P55-F59 VanDerWaalsContact O-N 3.1Å
56D69.3Low66.3Low126 Ų12681.2 Ų81.267%0.67445%0.445SS*.Hα-helixtrans-57.7-33.9-176.8-70.9-25000113I58 F59 K60D56-I58 VanDerWaalsContact C-N 3.31Å; D56-I58 PolarHBondContact O-N 3.43Å; D56-F59 PolarHBondContact O-N 2.87Å; D56-K60 WeakPolarHBondContact O-CG 3.43Å; D56-K60 PolarHBondContact O-N 2.74Å
57V66.3Low65.8Low30 Ų3078.4 Ų78.418%0.18243%0.428CS..Hα-helixtrans-60.7-40.1174.7175.30000111.3P55 L61 P67P55-V57 PolarHBondContact O-N 3.11Å; P55-V57 VanDerWaalsContact O-N 3.16Å; V57-L61 HydrophobicContact CG1-CD1 4.1Å; V57-L61 WeakPolarHBondContact O-CB 3.36Å; V57-L61 WeakPolarHBondContact O-CG 3.41Å; V57-L61 PolarHBondContact O-N 3.1Å; V57-P67 HydrophobicContact CG1-CB 4.18Å
58I75.7Confident65.4Low0 Ų077.5 Ų77.50%041%0.41CS..Hα-helixtrans-71.3-38.3176.8-65.2-63.2000110.9F11 M38 L39 Y42 K54 P55 D56 L61 E62F11-I58 HydrophobicContact CE1-CG1 4.07Å; F11-I58 HydrophobicContact CE2-CD1 4.12Å; F11-I58 HydrophobicContact CE2-CG1 4.16Å; F11-I58 HydrophobicContact CZ-CD1 3.6Å; F11-I58 HydrophobicContact CZ-CG1 3.52Å; M38-I58 HydrophobicContact CB-CD1 4.31Å; M38-I58 VanDerWaalsContact O-CD1 3.32Å; M38-I58 WeakPolarHBondContact O-CD1 3.47Å; L39-I58 HydrophobicContact CD2-CD1 4.17Å; L39-I58 HydrophobicContact CD2-CG2 4Å; Y42-I58 HydrophobicContact CD1-CG2 3.78Å; Y42-I58 HydrophobicContact CD2-CG1 4.28Å; Y42-I58 HydrophobicContact CE1-CG2 4.17Å; Y42-I58 HydrophobicContact CG-CD1 4.34Å; Y42-I58 HydrophobicContact CG-CG1 4.02Å; Y42-I58 HydrophobicContact CG-CG2 4.08Å; K54-I58 HydrophobicContact CG-CB 4.48Å; K54-I58 HydrophobicContact CG-CG2 4.18Å; P55-I58 HydrophobicContact CB-CG1 4.39Å; P55-I58 HydrophobicContact CG-CG1 4.42Å; P55-I58 WeakPolarHBondContact O-CA 3.41Å; P55-I58 WeakPolarHBondContact O-CB 3.42Å; P55-I58 PolarHBondContact O-N 3.14Å; D56-I58 VanDerWaalsContact C-N 3.31Å; D56-I58 PolarHBondContact O-N 3.43Å; I58-L61 PolarHBondContact O-N 2.86Å; I58-E62 WeakPolarHBondContact O-CG 3.24Å; I58-E62 PolarHBondContact O-N 2.97Å
59F75.4Confident64.3Low106 Ų10676.4 Ų76.447%0.46540%0.4SS..Hα-helixtrans-61.4-47.7175.5-175-95.2000111.9P55 D56 E62 Q63P55-F59 PolarHBondContact O-N 3.36Å; P55-F59 VanDerWaalsContact O-N 3.1Å; D56-F59 PolarHBondContact O-N 2.87Å; F59-E62 PolarHBondContact O-N 3.49Å; F59-Q63 HydrophobicContact CE1-CG 4.37Å; F59-Q63 WeakPolarHBondContact O-CG 3.43Å; F59-Q63 PolarHBondContact O-N 2.87Å
60K69.3Low63.5Low88 Ų8878.9 Ų78.938%0.38340%0.403SS..Hα-helixtrans-61.7-44.7176.3-71178.4179.1-179.10112.1D56 E62 Q63 G64 E65D56-K60 WeakPolarHBondContact O-CG 3.43Å; D56-K60 PolarHBondContact O-N 2.74Å; K60-E62 VanDerWaalsContact C-N 3.33Å; K60-E62 PolarHBondContact O-N 3Å; K60-Q63 PolarHBondContact O-N 3.36Å; K60-G64 PolarHBondContact O-N 3.12Å; K60-E65 HydrophobicContact CB-CB 4.2Å; K60-E65 PolarHBondContact O-N 3.43Å
61L71.4Confident62.2Low5 Ų580.8 Ų80.83%0.02642%0.415CS..Hα-helixtrans-63.8-33178.2-78.1176.5000113.1Y34 R35 M38 L39 V57 I58 G64 P67Y34-L61 HydrophobicContact CE1-CD1 4.32Å; R35-L61 HydrophobicContact CB-CD2 4.01Å; R35-L61 HydrophobicContact CG-CB 4.47Å; R35-L61 HydrophobicContact CG-CD2 3.96Å; R35-L61 PolarHBondContact NE-O 2.84Å; R35-L61 PolarHBondContact NH2-O 3.09Å; M38-L61 HydrophobicContact CB-CD1 3.84Å; M38-L61 HydrophobicContact CG-CD1 4.49Å; L39-L61 HydrophobicContact CD2-CB 4.36Å; V57-L61 HydrophobicContact CG1-CD1 4.1Å; V57-L61 WeakPolarHBondContact O-CB 3.36Å; V57-L61 WeakPolarHBondContact O-CG 3.41Å; V57-L61 PolarHBondContact O-N 3.1Å; I58-L61 PolarHBondContact O-N 2.86Å; L61-G64 PolarHBondContact O-N 3.19Å; L61-P67 HydrophobicContact CD2-CB 4.2Å; L61-P67 HydrophobicContact CD2-CG 3.64Å; L61-P67 HydrophobicContact CG-CB 4.16Å; L61-P67 HydrophobicContact CG-CG 4.04Å
62E73.6Confident61Low93 Ų9379.4 Ų79.444%0.43541%0.409SS..Hα-helixtrans-70.3-38.6174.9-78.5-177.3-173.900112.7R35 L39 K54 I58 F59 K60 G64R35-E62 PolarHBondContact NH2-O 3.37Å; L39-E62 HydrophobicContact CD2-CG 3.78Å; K54-E62 WeakPolarHBondContact CE-OE1 3.16Å; K54-E62 WeakPolarHBondContact CE-OE2 3.36Å; K54-E62 IonicContact NZ-OE1 3.37Å; K54-E62 PolarHBondContact NZ-OE1 3.21Å; K54-E62 IonicContact NZ-OE2 3.28Å; K54-E62 PolarHBondContact NZ-OE2 3.36Å; I58-E62 WeakPolarHBondContact O-CG 3.24Å; I58-E62 PolarHBondContact O-N 2.97Å; F59-E62 PolarHBondContact O-N 3.49Å; K60-E62 VanDerWaalsContact C-N 3.33Å; K60-E62 PolarHBondContact O-N 3Å; E62-G64 PolarHBondContact O-N 3.24Å
63Q67.8Low59.3Low121 Ų12186.3 Ų86.357%0.56544%0.436SS*.Hα-helixtrans-72.3-10.2177.1-60.9-64.9-0.100113.1F59 K60 E65F59-Q63 HydrophobicContact CE1-CG 4.37Å; F59-Q63 WeakPolarHBondContact O-CG 3.43Å; F59-Q63 PolarHBondContact O-N 2.87Å; K60-Q63 PolarHBondContact O-N 3.36Å; Q63-E65 HydrophobicContact CB-CG 4.24Å
64G59.3Low57.8Low45 Ų4585.9 Ų85.946%0.46443%0.433SS..THydrogen-bonded Turntrans8119.3-178.200000113.2K60 L61 E62K60-G64 PolarHBondContact O-N 3.12Å; L61-G64 PolarHBondContact O-N 3.19Å; E62-G64 PolarHBondContact O-N 3.24Å
65E64.1Low55.8Low112 Ų11289.2 Ų89.252%0.52346%0.455SS..  trans-82.7145.8171.6-62.4176.6-170.300109.8K60 Q63K60-E65 HydrophobicContact CB-CB 4.2Å; K60-E65 PolarHBondContact O-N 3.43Å; Q63-E65 HydrophobicContact CB-CG 4.24Å
66E61.3Low53.7Low93 Ų9396.2 Ų96.244%0.43549%0.485SS..  trans-81.7131.7-179.5-66.3-168.6117.300110.4W23 R31 W68W23-E66 PolarHBondContact NE1-OE1 2.96Å; R31-E66 IonicContact CZ-OE1 3.92Å; R31-E66 IonicContact NH1-OE1 2.9Å; R31-E66 PolarHBondContact NH1-OE1 2.99Å; E66-W68 HydrophobicContact CB-CE3 3.6Å; E66-W68 HydrophobicContact CB-CH2 3.96Å; E66-W68 HydrophobicContact CB-CZ3 3.09Å; E66-W68 HydrophobicContact CG-CZ3 3.99Å; E66-W68 PolarHBondContact O-N 3.49Å; E66-W68 VanDerWaalsContact OE2-CZ3 3.28Å; E66-W68 WeakPolarHBondContact OE2-CZ3 3.3Å
67P58.8Low51.6Low9 Ų996.7 Ų96.76%0.05849%0.488CS..  trans-10749.5-158.544.1-38.7000113.5W23 Y34 V57 L61W23-P67 HydrophobicContact CH2-CG 4.11Å; W23-P67 HydrophobicContact CZ2-CG 4.33Å; W23-P67 HydrophobicContact CZ3-CG 4.41Å; Y34-P67 HydrophobicContact CE1-CG 3.95Å; V57-P67 HydrophobicContact CG1-CB 4.18Å; L61-P67 HydrophobicContact CD2-CB 4.2Å; L61-P67 HydrophobicContact CD2-CG 3.64Å; L61-P67 HydrophobicContact CG-CB 4.16Å; L61-P67 HydrophobicContact CG-CG 4.04Å
68W58.8Low49.8Very low72 Ų72105.2 Ų105.227%0.27352%0.518SS..PPolyproline II helixtrans-84.1156.3173.264.387.7000111.7Q20 W23 E66Q20-W68 HydrophobicContact CB-CB 4.42Å; Q20-W68 HydrophobicContact CB-CG 3.98Å; Q20-W68 HydrophobicContact CG-CD2 4.25Å; Q20-W68 HydrophobicContact CG-CG 4.1Å; W23-W68 HydrophobicContact CB-CB 4.42Å; W23-W68 AromaticContact CD1-CE3 3.62Å; W23-W68 AromaticContact CD1-CZ3 3.99Å; W23-W68 HydrophobicContact CG-CE3 4.21Å; E66-W68 HydrophobicContact CB-CE3 3.6Å; E66-W68 HydrophobicContact CB-CH2 3.96Å; E66-W68 HydrophobicContact CB-CZ3 3.09Å; E66-W68 HydrophobicContact CG-CZ3 3.99Å; E66-W68 PolarHBondContact O-N 3.49Å; E66-W68 VanDerWaalsContact OE2-CZ3 3.28Å; E66-W68 WeakPolarHBondContact OE2-CZ3 3.3Å
69I43.2Very low48Very low89 Ų89109.4 Ų109.446%0.45655%0.545SS..BIsolated β-bridgetrans-95.3139.7178.8-60.4173.9000109N17N17-I69 HydrophobicContact CB-CD1 4.04Å
70V38.4Very low45.7Very low107 Ų107110.6 Ų110.665%0.64856%0.557SS**PPolyproline II helixtrans-84.8116.9167.2176.90000107.1E72V70-E72 PolarHBondContact O-N 3.31Å
71E34.9Very low43.7Very low133 Ų133114.4 Ų114.462%0.62158%0.58SS**  trans-70.296.6170.5-75.5-174.6168.300109.3F73E71-F73 PolarHBondContact O-N 3.36Å
72E29.1Very low41.5Very low172 Ų172120.5 Ų120.580%0.80461%0.612SS**  trans-76.598164.4-78.7-175168.700109V70 S74V70-E72 PolarHBondContact O-N 3.31Å; E72-S74 PolarHBondContact O-N 2.92Å
73F25.8Very low39.2Very low191 Ų191123.2 Ų123.284%0.83863%0.63SS**  trans-63.6102.2158.3-85.6-89.7000108.9E71E71-F73 PolarHBondContact O-N 3.36Å
74S28.6Very low37.3Very low101 Ų101121.7 Ų121.771%0.70664%0.637SS**  trans-138.6111.5150.648.60000110.4E72E72-S74 PolarHBondContact O-N 2.92Å
75N27.6Very low35.6Very low153 Ų153126.3 Ų126.382%0.81865%0.651SS**  trans-47131.2161.2-78.9-41.5000110.4
76Q28.1Very low33.9Very low175 Ų175128.2 Ų128.282%0.81866%0.66SS**  176.5108.8122.9-96.3148.3-15.600112.5
77N26.9Very low32.2Very low136 Ų136131.7 Ų131.773%0.72767%0.673SS**  60.9119.6117-81.2-19.3000121.8
78Y26.8Very low30.5Very low209 Ų209137.4 Ų137.482%0.8270%0.703SS**  trans91.7150.2139.4-86.9-98.4000119.2
79P38.7Very low29Very low88 Ų88142.4 Ų142.457%0.57173%0.727SS**  -134.4-168.7-112.432.7-7.4000112.5
80D27.7Very low28.3Very low131 Ų131147.4 Ų147.470%0.70175%0.749SS**  trans68.2122.2158.6-63.4-25.3000118.3
81I27.8Very low27.9Very low168 Ų168149.9 Ų149.986%0.86276%0.757SS**  -16311599.2-86.9152.6000107.7
82D24.8Very low27.4Very low132 Ų132152.2 Ų152.271%0.70677%0.767SS**  trans-60.3174.8162.8-94.2-39.1000112.7
83D25.7Very low27.4Very low151 Ų151149.1 Ų149.181%0.80776%0.756SS**  trans87.1100.3154.5-68.3-21.2000118.4
84A27.1Very low27.7Very low88 Ų88147.3 Ų147.373%0.72775%0.748SS**  158.299.591.900000107.9
85L24.1Very low27.8Very low143 Ų143149.3 Ų149.375%0.74975%0.746SS**  41.6125.588.6-108.786.7000111.6
86E27.2Very low27.7Very low151 Ų151148.5 Ų148.571%0.70674%0.741SS**  cis174.4173.727.5-156.6170.5-15500107.6
87K25.5Very low27.7Very low167 Ų167144.5 Ų144.573%0.72673%0.729SS**  trans102.9103.3160.6-61.1168.5-177167.90115.4
88N24.5Very low27.6Very low128 Ų128146.2 Ų146.268%0.68473%0.732SS**  -139.3144.6103.3-94.1-33.6000111.9
89K27.4Very low27.4Very low178 Ų178141.6 Ų141.677%0.77473%0.726SS**PPolyproline II helixtrans-74.6137.8-173.5-67.1166.6172.6176.10109.9
90E27.2Very low26.7Very low194 Ų194143.8 Ų143.891%0.90774%0.737SS**PPolyproline II helixtrans-97.1149.5150.7-95.8-170.315700111
91I29.5Very low26.4Very low159 Ų159144.5 Ų144.582%0.81573%0.734SS**PPolyproline II helixtrans-77.3143.3-173.6-68.7166.4000110.9
92Q26.2Very low26.3Very low181 Ų181144.5 Ų144.585%0.84673%0.729SS**  trans-29155.2159.9-71.5177.4-40.800115.9
93D28.1Very low26.2Very low108 Ų108142.2 Ų142.258%0.57872%0.723SS**  cis-175.5128.8-16.2-16235.2000103.4
94K31.3Very low26.1Very low153 Ų153142 Ų14267%0.66572%0.722SS**  trans57.9148.4131.2-75.3176-162.5130.60119.9
95H31.5Very low26Very low143 Ų143146.9 Ų146.966%0.66273%0.727SS**  cis-164.9163.816.6-122.2-55.3000105.3
96L26.6Very low26Very low135 Ų135145.7 Ų145.771%0.70773%0.726SS**  -175.312454.5-160.769000109.3
97T26.9Very low25.9Very low92 Ų92145.2 Ų145.256%0.56473%0.727SS**  trans45.8149.2136.672.80000121.1
98Q26.1Very low25.9Very low171 Ų171143.7 Ų143.780%0.79973%0.726SS**  cis-166.5148.326.7-141.2154.612.400110.1
99T21.8Very low25.9Very low112 Ų112144 Ų14469%0.68773%0.732SS**  trans-37.7155.8162.3-1.60000115.4F101T99-F101 HydrophobicContact CG2-CD2 4.48Å
100V23.4Very low25.9Very low134 Ų134143.7 Ų143.781%0.81273%0.733SS**  170.4146109154.30000105.8
101F22.7Very low25.8Very low146 Ų146143.9 Ų143.964%0.6473%0.726SS**  cis174.1139.9-14.5-138.8-116.5000104.7T99T99-F101 HydrophobicContact CG2-CD2 4.48Å
102F23.8Very low25.6Very low168 Ų168143 Ų14374%0.73772%0.718SS**  trans60.2151.5147.2-78.3-122.1000120.1
103S23.2Very low25.7Very low84 Ų84141.9 Ų141.959%0.58772%0.718SS**  cis-173.8156-11.4-97.50000110
104N23.1Very low25.5Very low148 Ų148144 Ų14479%0.79173%0.734SS**  trans-8.1137.5160-56.2-28.3000120.6
105K25.8Very low25.2Very low190 Ų190145.8 Ų145.883%0.82674%0.743SS**  166.7123.5102.3-92.4-177.9176.6176.30112.8
106T23.9Very low24.8Very low118 Ų118142.1 Ų142.172%0.72474%0.743SS**  11.4141.9124.814.70000118.1
107L26.4Very low24.7Very low141 Ų141144.6 Ų144.674%0.73875%0.748SS**  172.414950.2-120.4173.4000110.5
108I24.7Very low24.5Very low135 Ų135145.4 Ų145.469%0.69275%0.753SS**  trans65.8138.6149.6-27.1153.8000116.7
109T24.1Very low24.3Very low133 Ų133145.1 Ų145.182%0.81676%0.756SS**  -168.616455.229.20000113.6
110E27.1Very low24.4Very low173 Ų173146.4 Ų146.481%0.80876%0.759SS**  trans-69.7165.4-174.9-53.2173.9143.400117
111R26.3Very low24.4Very low198 Ų198147.8 Ų147.875%0.74776%0.761SS**  125.5119.1118.3-148.3166-175.7179.4-0.3118.9
112E25.7Very low24.4Very low141 Ų141143.9 Ų143.966%0.65976%0.761SS**  trans65.4122.2141.7-69.9167.3-168.500125.4
113N26.6Very low24.5Very low157 Ų157143.6 Ų143.684%0.8476%0.764SS**  trans13.7132132.7-83-19.5000121.6
114V25Very low24.5Very low151 Ų151146.6 Ų146.692%0.91577%0.774SS**  trans-143.9146.7140.1179.20000111.4
115F24Very low24.5Very low192 Ų192144.6 Ų144.684%0.84277%0.772SS**  trans-88.7160.3-170.7-130.9-101.5000114.6
116G23.8Very low24.3Very low65 Ų65142 Ų14267%0.6777%0.771SS**  trans144.8105.5157.800000113.5
117K25.2Very low25Very low188 Ų188140.6 Ų140.682%0.81776%0.764SS**  45.7128.671-80.3-173.3-177.6178.90112.4
118T22.1Very low25Very low108 Ų108138.9 Ų138.966%0.66376%0.764SS**  cis-169.4148.2-0.3-34.90000104.9
119L22.5Very low25Very low166 Ų166142 Ų14287%0.86977%0.767SS**  174.3148.6104.6-92.6171.6000112.3
120N22.7Very low25.1Very low138 Ų138143.6 Ų143.674%0.73876%0.762SS**  trans-86.1168.3-173.6-69.8-70.2000114.5
121L24.3Very low24.9Very low164 Ų164143.9 Ų143.986%0.85977%0.766SS**  169.2143.3117.6-87.6159.3000109.1
122G21.8Very low25.2Very low63 Ų63138.7 Ų138.765%0.64976%0.758SS**  cis-150.91452.600000109.6
123M25.6Very low25Very low162 Ų162143.5 Ų143.580%0.79877%0.772SS**  73.7108.279.9-68.2-162.990.100114.9
124N23.9Very low24.8Very low147 Ų147145.8 Ų145.879%0.78677%0.774SS**  165.4135.3120.4-79.2-20.1000108.4
125S23.1Very low24.6Very low107 Ų107144.2 Ų144.275%0.74877%0.769SS**  cis-169140.2-22.519.40000104.6
126V22.7Very low24.5Very low135 Ų135142.6 Ų142.682%0.81877%0.769SS**  trans-80.9-154.7177.6-146.20000108.1
127P38.6Very low25.3Very low89 Ų89145.3 Ų145.358%0.57878%0.775SS**  cis-141.2172.3-9.121.57.4000114.6
128S25.1Very low25.1Very low104 Ų104140.1 Ų140.173%0.72777%0.774SS**  -177.1125.283.3-85.20000110.8
129R25.7Very low25.1Very low202 Ų202138.2 Ų138.276%0.76278%0.776SS**  78.5134.569.2-86.4-175.7-178.8-156.30.9111.5
130K24.9Very low25.2Very low165 Ų165138.2 Ų138.272%0.71778%0.777SS**  cis-160.9140.220-97.2154.1179.3-165.40106.9
131M23.3Very low25.1Very low180 Ų180136.9 Ų136.989%0.88778%0.779SS**  86.8153.366.5-88.5-107.5140.300115.9
132P32.7Very low25.2Very low89 Ų89136.5 Ų136.558%0.57878%0.777SS**  trans-119.2178.3-134.144.4-37.1000114.8
133Y21.9Very low25.3Very low241 Ų241143.5 Ų143.595%0.94579%0.789SS**  trans-139.8144.2157.9-79.5-78.2000114.2
134K22.4Very low25.3Very low206 Ų206141.4 Ų141.490%0.89679%0.786SS**  trans-74.8154.1175.1-76.9174171.2177.60112.2
135C20.6Very low25.3Very low117 Ų117141.6 Ų141.679%0.79179%0.787SS**  trans-65150.2165.8-78.70000113.3
136N22.6Very low25.4Very low158 Ų158142 Ų14285%0.84579%0.789SS**  -165.4169.1119.7-105.11.2000112.4
137P38.9Very low25.5Very low123 Ų123144.5 Ų144.580%0.79979%0.792SS**  -102.5161.3-129.139.5-37.4000114.7
138G21.8Very low24.7Very low78 Ų78146.8 Ų146.880%0.80480%0.804SS**  trans-161.4111.9167.700000110.5
139G22Very low24.6Very low69 Ų69149.2 Ų149.271%0.71181%0.808SS**  trans-77.6150.1171.300000111.7
140N24Very low24.4Very low165 Ų165145.8 Ų145.888%0.88281%0.809SS**  -179.4132.5117.7-92.7-16.7000112.7
141S22Very low24.3Very low111 Ų111141.8 Ų141.878%0.77681%0.807SS**  trans53.8111.2141-107.20000122.9
142L26.2Very low24.4Very low155 Ų155143.4 Ų143.481%0.81281%0.809SS**  trans2.9127.7132.1-67.8158000117.7
143K23.7Very low24Very low210 Ų210149 Ų14991%0.91382%0.824SS**  -143.2122.9129.6-75.2-166.1-179.8173.40111
144T24.6Very low24.1Very low119 Ų119143.3 Ų143.373%0.7382%0.819SS**  trans-61.5148.1157.145.60000110
145N23.7Very low24.3Very low151 Ų151142.7 Ų142.781%0.80782%0.817SS**  trans-164.7124.5136-92.9-12000110.7
146S26.2Very low24.4Very low114 Ų114145 Ų14580%0.79782%0.816SS**  trans-86.7128.5163.541.40000109
147E24.1Very low24.5Very low189 Ų189142.8 Ų142.888%0.88380%0.804SS**  trans-140.3132.9157.7-74.6-170.7165.900111.4
148V22.8Very low23.8Very low136 Ų136147.1 Ų147.182%0.82480%0.804SS**  trans-99.2128.3170.41650000106.1
149I22.4Very low23.9Very low156 Ų156153 Ų15380%0.881%0.808SS**  trans-154.2114.7149.3-72.4-157.9000111.6
150V22.3Very low24.1Very low130 Ų130156 Ų15679%0.78881%0.806SS**  61.5135.3127.5-170.90000123.2
151A22.4Very low24.3Very low81 Ų81154.3 Ų154.367%0.66980%0.804SS**  trans-40.3151.3170.700000118.7
152K24.6Very low24.5Very low214 Ų214156.3 Ų156.393%0.9381%0.806SS**  trans-128.3123.1141.8-79.2-175.5176.2176.50109.9
153K24.2Very low24.4Very low206 Ų206151.8 Ų151.890%0.89680%0.797SS**  trans-75143.8164-78.3176.8173.91740109
154S25.3Very low24.4Very low122 Ų122153.1 Ų153.185%0.85380%0.798SS**  trans-141.1129.5147.943.10000109.1
155K25Very low24.6Very low193 Ų193153 Ų15384%0.83980%0.802SS**  trans-79.3145175.9-67.3173.6170177.40109.7
156E24.1Very low24.6Very low166 Ų166148.6 Ų148.678%0.77679%0.792SS**  134.1149120.9-80.8-164.6163.700106.1
157N23.8Very low24.6Very low111 Ų111153.7 Ų153.759%0.59480%0.8SS**  cis-162.5151.12.5-120.8-38.4000108.1
158R24.1Very low24.6Very low214 Ų214147.7 Ų147.781%0.80879%0.79SS**  trans52.4117.2151.8-58.4-179.3-167.8-174.52.4121.3
159K24.2Very low24.7Very low201 Ų201151.8 Ų151.887%0.87480%0.796SS**  174.4122.291.3-91-173.3179175.40110.1
160I27.1Very low24.8Very low133 Ų133152.9 Ų152.968%0.68280%0.798SS**  trans-92.9152.6161.5-65.1170.5000106.8
161P28.4Very low24.8Very low128 Ų128155.2 Ų155.283%0.83180%0.8SS**  -123.7137.2121.70.719.8000113.1
162D25.2Very low25Very low154 Ų154159.8 Ų159.882%0.82481%0.805SS**  trans-70.4163.8176.6-65.5-59.3000112.7
163G24.5Very low24.9Very low60 Ų60154.8 Ų154.862%0.61980%0.797SS**  trans170.4113.8151.500000112.3
164Y24Very low24.9Very low237 Ų237153.5 Ų153.593%0.92979%0.793SS**  trans125.780.6156-63.9-67.5000115.5
165S27.5Very low24.8Very low118 Ų118155.5 Ų155.583%0.82579%0.794SS**  trans-69.1154.4132.249.40000108.6
166G24.4Very low24.7Very low58 Ų58150.2 Ų150.260%0.59879%0.794SS**  cis152.2146.69.300000107.5
167F26Very low24.7Very low220 Ų220150.3 Ų150.397%0.96580%0.796SS**  trans72.7129.5171.4-54.6-83.9000116.5
168G24.9Very low24.7Very low64 Ų64154.4 Ų154.466%0.6681%0.809SS**  cis109.9109.718.300000109.9
169K24Very low24.6Very low221 Ų221152.7 Ų152.796%0.96181%0.807SS**  trans-178.7145.2145.7-99.8164.2-171.5-174.40113.1
170H24.4Very low24.5Very low180 Ų180154.9 Ų154.983%0.83381%0.812SS**  trans-63.1151.8174.8-91.8-122.1000113.9
171E23.1Very low24.2Very low178 Ų178159.7 Ų159.783%0.83282%0.821SS**  -174.3175.3113.4-113.5-177.1156.300114.7
172K26Very low23.9Very low178 Ų178164.6 Ų164.677%0.77483%0.825SS**  trans-93.1176.5-146.1-69.3163.7172.9166.30116.9
173S23.1Very low23.8Very low109 Ų109164 Ų16476%0.76282%0.822SS**  trans86.9104.2143.553.40000122.2
174H22.9Very low23.9Very low178 Ų178166.6 Ų166.682%0.82483%0.827SS**  43.2132.8114.2-88.4-78.4000123.9
175L23.3Very low23.8Very low165 Ų165163.6 Ų163.686%0.86482%0.824SS**  trans93.3121.2143.4-71.8159.9000120
176G23.2Very low23.8Very low81 Ų81169.2 Ų169.284%0.83583%0.827SS**  trans167.971.816800000114.3
177M23.8Very low23.9Very low169 Ų169176.1 Ų176.183%0.83384%0.841SS**  trans-67.2147.2177-77.8-173.4148.800114.9
178K23.7Very low23.7Very low197 Ų197170.4 Ų170.486%0.85783%0.834SS**  178.8105.6120.2-96.5170.3-176.5178.90109.8
179K22.3Very low23.6Very low177 Ų177172.2 Ų172.277%0.7784%0.837SS**  68.4106.594.9-80.4-175.2179.8173.60115.4
180Y22.2Very low23.6Very low247 Ų247168 Ų16897%0.96983%0.825SS**  -148140.8126.6-107-84.7000110.4
181R21.6Very low23.5Very low235 Ų235167.7 Ų167.789%0.88782%0.824SS**  trans-85.2144-167.8-68.8170.2172.6158.9-4.7112.2
182Y22.3Very low23.9Very low230 Ų230166.9 Ų166.990%0.90283%0.825SS**  trans-147.5132.8139.6-156.2-99.9000111.2
183N23Very low24Very low143 Ų143167.1 Ų167.177%0.76583%0.829SS**  trans-75.5129.8-167.9-95.4-28.8000113.6
184P26.3Very low24.1Very low113 Ų113169.6 Ų169.673%0.73483%0.833SS**  trans-91.8116.2158.330.4-22.9000110R186P184-R186 PolarHBondContact O-N 3.12Å
185M22.5Very low24.6Very low174 Ų174168.9 Ų168.986%0.85784%0.835SS**  trans-73.6100.7169.9-83.3-124.5126.400110.3
186R26.8Very low25Very low236 Ų236168.3 Ų168.389%0.89183%0.831SS**  trans-77.5139.2147.7-81.8-178.6171.7-171.8-2.1108.3P184P184-R186 PolarHBondContact O-N 3.12Å
187K26.2Very low25.3Very low203 Ų203172 Ų17288%0.88383%0.831SS**  trans-120.9109.8151.4-87.2-170.6176.1-175.70109.2
188A21.6Very low25.3Very low100 Ų100172.8 Ų172.883%0.82683%0.832SS**  trans-138.9137.8144.800000102.5
189S24.2Very low25.4Very low102 Ų102171.7 Ų171.771%0.71383%0.83SS**  cis-168.8168.437.8-170.10000109.9
190N22.2Very low25.6Very low132 Ų132170.1 Ų170.171%0.70683%0.83SS**  trans124.4113.4139-74.8-2.7000118.5
191Q24.2Very low25.9Very low175 Ų175165.1 Ų165.182%0.81882%0.819SS**  trans70.5117.7137.2-64.7-177.9-19.300120.3
192N29.6Very low26.1Very low160 Ų160162.7 Ų162.786%0.85682%0.818SS**  trans38.893.9150.5-80.84.4000117.8
193E29.5Very low26.3Very low183 Ų183157.5 Ų157.586%0.85580%0.804SS**  -172.3148.1118.6-99.3166.2-165.700107.3
194N24.5Very low26.4Very low161 Ų161157.2 Ų157.286%0.86180%0.802SS**  trans92.862.7-170.5-53.2-76.2000115.4
195L32.9Very low26.4Very low164 Ų164161.5 Ų161.586%0.85981%0.809SS**  trans-60145140.2-135.680.3000108.2
196I32Very low26.5Very low152 Ų152160.5 Ų160.578%0.77980%0.802SS**  trans85.188.2176.6-44.2172000114.7
197L29.5Very low26.6Very low158 Ų158155.2 Ų155.283%0.82780%0.799SS**  165.374.7117.6-164.376.9000109.8
198H24.7Very low26.5Very low186 Ų186154 Ų15486%0.86179%0.793SS**  trans-148.859.1163.8-139.4-76.4000112.5
199Q25.2Very low26.8Very low174 Ų174155.5 Ų155.581%0.81379%0.787SS**  trans-133.3142.2160.1-76.7178.4-16.600108.3
200N26.1Very low26.8Very low145 Ų145160.5 Ų160.578%0.77579%0.792SS**  trans91.370.6177.2-53.3-26.6000117.6
201I28.1Very low27.2Very low142 Ų142159.8 Ų159.873%0.72879%0.788SS**  trans-118.574.3136.9-55179.5000107.4I203I201-I203 HydrophobicContact CG2-CD1 4.36Å; I201-I203 HydrophobicContact CG2-CG1 3.74Å; I201-I203 PolarHBondContact O-N 3.23Å
202Q26.4Very low27.7Very low184 Ų184161 Ų16186%0.8679%0.791SS**  trans-70.1107.7154.9-81.9-160.6-2.200107.1L204Q202-L204 PolarHBondContact O-N 3.28Å
203I27Very low27.7Very low120 Ų120159.4 Ų159.462%0.61579%0.791SS**  trans-78.9108.7167-62.6-175.8000107.3I201 K205I201-I203 HydrophobicContact CG2-CD1 4.36Å; I201-I203 HydrophobicContact CG2-CG1 3.74Å; I201-I203 PolarHBondContact O-N 3.23Å; I203-K205 PolarHBondContact O-N 2.99Å; I203-K205 VanDerWaalsContact O-N 3.13Å
204L25.6Very low27.9Very low138 Ų138153.9 Ų153.972%0.72378%0.783SS**  trans-4.899.3146.7-78.2147000113.5Q202 Q206Q202-L204 PolarHBondContact O-N 3.28Å; L204-Q206 HydrophobicContact CD2-CG 4.2Å
205K25.9Very low28.2Very low203 Ų203155.2 Ų155.288%0.88378%0.782SS**  trans-96.693.6147.3-79.2-178.1179.1174.50106.1I203I203-K205 PolarHBondContact O-N 2.99Å; I203-K205 VanDerWaalsContact O-N 3.13Å
206Q24.1Very low28.1Very low152 Ų152153.5 Ų153.571%0.7178%0.778SS**PPolyproline II helixtrans-94.4129.7154.3-75.5-155.4-900108.7L204L204-Q206 HydrophobicContact CD2-CG 4.2Å
207P28.3Very low28.1Very low126 Ų126155.4 Ų155.482%0.81878%0.781SS**PPolyproline II helixtrans-76119.2173.729.1-27.6000109.2
208F24.2Very low28.1Very low177 Ų177157 Ų15778%0.77678%0.782SS**PPolyproline II helixtrans-87.5123.4160.1-102.1-91.6000108.5
209D28.5Very low28.3Very low131 Ų131156.6 Ų156.670%0.70178%0.777SS**PPolyproline II helixtrans-82138.2178.7-151-12.6000110.6
210Y25Very low28.4Very low207 Ų207160.1 Ų160.181%0.81278%0.783SS**  trans-146117.5159.5-159.9-86.8000109.4
211N29.9Very low28.6Very low117 Ų117157.5 Ų157.563%0.62678%0.781SS**  trans-79.5158.8-170.4-100.2-40.9000114.6
212K33.9Very low28.7Very low202 Ų202157.8 Ų157.888%0.87878%0.783SS**  trans53.287.5156.8-76.6175.7175.91720119.1
213C31.3Very low28.9Very low125 Ų125156.5 Ų156.585%0.84578%0.781SS**SBend175121.7118.7-173.60000108.7
214G32.7Very low29.4Very low68 Ų68158.3 Ų158.370%0.70179%0.79SS**SBendtrans127.910.6176.100000117.2
215K30.6Very low29.6Very low189 Ų189158 Ų15882%0.82280%0.795SS**  trans-99.745.1173.7-75-174.3-178.7171.30113.3
216T32Very low29.9Very low128 Ų128157.7 Ų157.779%0.78580%0.796SS**SBendtrans-124.919.3174.242.80000114.8
217F30.6Very low30.2Very low192 Ų192160.9 Ų160.984%0.84281%0.808SS**SBendtrans-132.68170.4-103.1-85000116.1
218F30.6Very low30.2Very low191 Ų191158.5 Ų158.584%0.83881%0.806SS**SBendtrans-123.39.5175.7-99-82.5000114.8
219K28.8Very low30.9Very low178 Ų178162 Ų16277%0.77481%0.814SS**SBendtrans-105.31.8175.1-91.3-171.5173.4-171.80114.8
220R27.3Very low31Very low248 Ų248163.9 Ų163.994%0.93682%0.819SS**SBendtrans-111.77179.7-136.2174.3-177159.20.4115.2
221A29.5Very low31.6Very low89 Ų89160.1 Ų160.174%0.73682%0.818SS**SBendtrans-110.59.217500000113.9
222I31.2Very low31.8Very low149 Ų149163.4 Ų163.476%0.76483%0.829SS**SBendtrans-133.761.6171.7-48.8-177.9000108.2
223L29.9Very low32.3Very low157 Ų157165.4 Ų165.482%0.82283%0.831SS**  trans-158.638.3170.2-109.2171.9000112.3
224I36.7Very low33Very low158 Ų158166.5 Ų166.581%0.8182%0.822SS**SBendtrans-133.5139.9151.1-59.3-177000105.9
225T30.6Very low34.2Very low132 Ų132168.3 Ų168.381%0.8182%0.821SS**  trans81.767.3-172.379.60000115.9
226Q31.3Very low36Very low195 Ų195160.4 Ų160.491%0.91179%0.788SS**  trans-14873.4137.9-112.8-175.52.300110.8
227K31.3Very low38Very low219 Ų219157.8 Ų157.895%0.95277%0.767SS**SBendtrans-144.2117.9146.6-86.4-166.4177.71790107.5
228G28.6Very low40.3Very low77 Ų77148.7 Ų148.779%0.79473%0.727SS**  trans13886.8-174.900000110.6Q230G228-Q230 PolarHBondContact O-N 3.06Å
229R38.4Very low42.5Very low249 Ų249146.6 Ų146.694%0.9472%0.724SS**  trans-62.8127161-78.6179.7-177.9178.30.8107.4
230Q30.9Very low44.7Very low172 Ų172144.3 Ų144.380%0.80472%0.717SS**  trans177127.7130.5-80.1-107.26.300107.6G228G228-Q230 PolarHBondContact O-N 3.06Å
231T37.3Very low47.1Very low127 Ų127134.8 Ų134.878%0.77969%0.687SS**  trans3.3104.3164.9520000119.5
232E34.9Very low49.2Very low187 Ų187140.1 Ų140.187%0.87469%0.688SS**  trans-141.2120.2146-77.4-166.4164.500109.9K234E232-K234 PolarHBondContact O-N 3.23Å
233R43.3Very low51.2Low243 Ų243138.8 Ų138.892%0.91768%0.677SS**  trans-60.5119.8172.7-75.6-179.7173.8-178.5-1.4108.8P235R233-P235 WeakPolarHBondContact O-CD 3.38Å; R233-P235 VanDerWaalsContact O-N 3.11Å
234K47.3Very low53.3Low149 Ų149135.3 Ų135.365%0.64866%0.662SS**  trans-58.8112.7167.8-73.4-179.7-178.5173.40108.5E232 N236 T244E232-K234 PolarHBondContact O-N 3.23Å; K234-N236 PolarHBondContact O-N 3.47Å; K234-N236 VanDerWaalsContact O-N 3.1Å; K234-T244 HydrophobicContact CD-CG2 4.05Å
235P57.6Low55.4Low106 Ų106130.3 Ų130.369%0.68864%0.635SS**THydrogen-bonded Turntrans-71.7-13.9-164.4-21.232.9000115.1R233R233-P235 WeakPolarHBondContact O-CD 3.38Å; R233-P235 VanDerWaalsContact O-N 3.11Å
236N67.9Low57.5Low23 Ų23129.4 Ų129.412%0.12363%0.634CS.*THydrogen-bonded Turntrans-141.653.1-166.9-59.5-51.6000113K234 F245 R248 L251K234-N236 PolarHBondContact O-N 3.47Å; K234-N236 VanDerWaalsContact O-N 3.1Å; N236-F245 HydrophobicContact CB-CB 4.42Å; N236-F245 WeakPolarHBondContact CB-O 3.47Å; N236-F245 PolarHBondContact O-N 3.02Å; N236-R248 PolarHBondContact ND2-N 2.78Å; N236-R248 WeakPolarHBondContact OD1-CA 3.44Å; N236-R248 WeakPolarHBondContact OD1-CB 3.46Å; N236-R248 WeakPolarHBondContact OD1-CG 3.33Å; N236-R248 PolarHBondContact OD1-N 3.23Å; N236-L251 HydrophobicContact CB-CB 4.32Å; N236-L251 HydrophobicContact CB-CD2 4.09Å
237E73.9Confident59.8Low72 Ų72126.5 Ų126.534%0.33662%0.618SS.*BIsolated β-bridgetrans-91.8140170-172.2172.5162.900111.6T244E237-T244 HydrophobicContact CB-CG2 4.33Å; E237-T244 HydrophobicContact CG-CG2 4.15Å
238C79.8Confident62Low2 Ų2123.9 Ų123.91%0.01460%0.603CS.*  trans-82.2115.4173.2-176.90000110.5E240 C241 R242 K243 F245 L251 H254C238-E240 PolarHBondContact O-N 3.43Å; C238-E240 VanDerWaalsContact O-N 3.14Å; C238-C241 PolarHBondContact O-N 2.69Å; C238-R242 WeakPolarHBondContact O-CA 3.43Å; C238-R242 PolarHBondContact O-N 3.36Å; C238-K243 PolarHBondContact N-O 2.71Å; C238-F245 HydrophobicContact CB-CE2 4.18Å; C238-L251 HydrophobicContact CB-CD1 3.59Å; C238-H254 PolarHBondContact SG-NE2 3.08Å
239N75.9Confident64.2Low146 Ų146123.7 Ų123.778%0.78159%0.589SS**THydrogen-bonded Turntrans-60.6-25.5-178-63.1-14.9000113.8
240E75Confident66Low131 Ų131114.5 Ų114.561%0.61256%0.561SS**THydrogen-bonded Turntrans-88.9-29-176.8-69.6-173.8-135.500114.7C238 H258C238-E240 PolarHBondContact O-N 3.43Å; C238-E240 VanDerWaalsContact O-N 3.14Å; E240-H258 WeakPolarHBondContact OE1-CB 3.31Å; E240-H258 IonicContact OE1-CG 3.97Å; E240-H258 WeakPolarHBondContact OE2-CB 3.38Å; E240-H258 IonicContact OE2-CE1 3.66Å; E240-H258 IonicContact OE2-CG 3.05Å; E240-H258 IonicContact OE2-ND1 3.03Å; E240-H258 PolarHBondContact OE2-ND1 2.6Å
241C77.2Confident68.3Low47 Ų47106.8 Ų106.832%0.31853%0.525SS..THydrogen-bonded Turntrans-131.49.8-178.870.30000114.6C238 K243 H254C238-C241 PolarHBondContact O-N 2.69Å; C241-K243 PolarHBondContact O-N 3.37Å; C241-H254 PolarHBondContact SG-NE2 3.08Å
242R73.9Confident70.2Confident201 Ų201104.1 Ų104.176%0.75851%0.505SS*.  trans52.620.7178.2-59.4-174-178.1175.4-0.4114.7C238C238-R242 WeakPolarHBondContact O-CA 3.43Å; C238-R242 PolarHBondContact O-N 3.36Å
243K74.3Confident72.2Confident121 Ų12197.4 Ų97.453%0.52648%0.477SS..  trans-76.8130.3175.1-73.3-176.9-178.31790109.8C238 C241 F245C238-K243 PolarHBondContact N-O 2.71Å; C241-K243 PolarHBondContact O-N 3.37Å; K243-F245 HydrophobicContact CB-CE2 3.67Å; K243-F245 HydrophobicContact CB-CZ 3.87Å; K243-F245 WeakPolarHBondContact O-CD2 3.31Å; K243-F245 VanDerWaalsContact O-CE2 3.27Å; K243-F245 WeakPolarHBondContact O-CE2 3.36Å
244T72.6Confident73.9Confident84 Ų8486.8 Ų86.852%0.51544%0.438SS..BIsolated β-bridgetrans-95.7134.6178.255.70000110.8K234 E237K234-T244 HydrophobicContact CD-CG2 4.05Å; E237-T244 HydrophobicContact CB-CG2 4.33Å; E237-T244 HydrophobicContact CG-CG2 4.15Å
245F81.6Confident75.3Confident53 Ų5382.8 Ų82.823%0.23242%0.421CS..  trans-116.7144.6-179.8-64.1-90.3000110.8N236 C238 K243 K247 L251 H254N236-F245 HydrophobicContact CB-CB 4.42Å; N236-F245 WeakPolarHBondContact CB-O 3.47Å; N236-F245 PolarHBondContact O-N 3.02Å; C238-F245 HydrophobicContact CB-CE2 4.18Å; K243-F245 HydrophobicContact CB-CE2 3.67Å; K243-F245 HydrophobicContact CB-CZ 3.87Å; K243-F245 WeakPolarHBondContact O-CD2 3.31Å; K243-F245 VanDerWaalsContact O-CE2 3.27Å; K243-F245 WeakPolarHBondContact O-CE2 3.36Å; F245-K247 PolarHBondContact O-N 3.46Å; F245-L251 HydrophobicContact CB-CB 4.08Å; F245-L251 HydrophobicContact CD2-CB 3.92Å; F245-L251 HydrophobicContact CD2-CD1 3.59Å; F245-L251 HydrophobicContact CD2-CG 4.35Å; F245-L251 HydrophobicContact CE2-CD1 3.86Å; F245-L251 HydrophobicContact CG-CB 4.11Å; F245-H254 HydrophobicContact CE1-CB 3.75Å; F245-H254 AromaticContact CE1-CG 3.84Å; F245-H254 HydrophobicContact CE2-CB 3.96Å; F245-H254 AromaticContact CE2-CD2 3.3Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.18Å; F245-H254 AromaticContact CE2-CG 3.55Å; F245-H254 AromaticContact CE2-NE2 3.84Å; F245-H254 HydrophobicContact CZ-CB 3.47Å; F245-H254 VanDerWaalsContact CZ-CB 3.47Å; F245-H254 AromaticContact CZ-CD2 3.31Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.32Å; F245-H254 AromaticContact CZ-CE1 3.8Å; F245-H254 AromaticContact CZ-CG 3.07Å; F245-H254 AromaticContact CZ-ND1 3.41Å; F245-H254 WeakPolarHBondContact CZ-ND1 3.43Å; F245-H254 AromaticContact CZ-NE2 3.74Å
246S75.1Confident76.4Confident114 Ų11479.8 Ų79.880%0.79740%0.396SS*.SBendtrans-70.4-1817854.30000113.6
247K79.1Confident76.7Confident133 Ų13382.8 Ų82.858%0.57841%0.412SS*.SBendtrans-137.9146.3-179-61.6-176.3180-176.60110.9F245 S249 T250 L251F245-K247 PolarHBondContact O-N 3.46Å; K247-S249 VanDerWaalsContact C-N 3.3Å; K247-S249 PolarHBondContact O-N 3.22Å; K247-T250 HydrophobicContact CB-CG2 4.44Å; K247-T250 PolarHBondContact O-N 3.24Å; K247-T250 PolarHBondContact O-OG1 3.02Å; K247-L251 PolarHBondContact O-N 3.27Å
248R76.8Confident76.8Confident164 Ų16482.5 Ų82.562%0.61941%0.41SS*.Hα-helixtrans-62.5-37.7175.6-167174.4171.986.2-3.2112.3N236 T250 L251 I252N236-R248 PolarHBondContact ND2-N 2.78Å; N236-R248 WeakPolarHBondContact OD1-CA 3.44Å; N236-R248 WeakPolarHBondContact OD1-CB 3.46Å; N236-R248 WeakPolarHBondContact OD1-CG 3.33Å; N236-R248 PolarHBondContact OD1-N 3.23Å; R248-T250 VanDerWaalsContact C-N 3.3Å; R248-T250 PolarHBondContact O-N 3.24Å; R248-L251 WeakPolarHBondContact O-CB 3.32Å; R248-L251 PolarHBondContact O-N 3.02Å; R248-I252 HydrophobicContact CG-CD1 4.06Å; R248-I252 HydrophobicContact CG-CG1 4.47Å; R248-I252 VanDerWaalsContact O-CG1 3.31Å; R248-I252 WeakPolarHBondContact O-CG1 3.45Å; R248-I252 PolarHBondContact O-N 3.09Å
249S76Confident76.5Confident73 Ų7386.2 Ų86.251%0.5143%0.433SS..Hα-helixtrans-62.7-33.7177.555.60000113.3K247 V253K247-S249 VanDerWaalsContact C-N 3.3Å; K247-S249 PolarHBondContact O-N 3.22Å; S249-V253 VanDerWaalsContact O-CG2 3.31Å; S249-V253 WeakPolarHBondContact O-CG2 3.38Å; S249-V253 PolarHBondContact O-N 3.43Å; S249-V253 VanDerWaalsContact O-N 3.14Å
250T76.8Confident76.4Confident57 Ų5781.2 Ų81.235%0.3542%0.415SS..Hα-helixtrans-78-33.4176.2520000112K247 R248 H254K247-T250 HydrophobicContact CB-CG2 4.44Å; K247-T250 PolarHBondContact O-N 3.24Å; K247-T250 PolarHBondContact O-OG1 3.02Å; R248-T250 VanDerWaalsContact C-N 3.3Å; R248-T250 PolarHBondContact O-N 3.24Å; T250-H254 VanDerWaalsContact O-CB 3.25Å; T250-H254 WeakPolarHBondContact O-CB 3.22Å; T250-H254 PolarHBondContact O-N 2.98Å
251L79.1Confident76.4Confident9 Ų980.1 Ų80.15%0.04741%0.41CS..Hα-helixtrans-61.8-47.5168.5173.363.4000111.7N236 C238 F245 K247 R248 V253 H254 Q255N236-L251 HydrophobicContact CB-CB 4.32Å; N236-L251 HydrophobicContact CB-CD2 4.09Å; C238-L251 HydrophobicContact CB-CD1 3.59Å; F245-L251 HydrophobicContact CB-CB 4.08Å; F245-L251 HydrophobicContact CD2-CB 3.92Å; F245-L251 HydrophobicContact CD2-CD1 3.59Å; F245-L251 HydrophobicContact CD2-CG 4.35Å; F245-L251 HydrophobicContact CE2-CD1 3.86Å; F245-L251 HydrophobicContact CG-CB 4.11Å; K247-L251 PolarHBondContact O-N 3.27Å; R248-L251 WeakPolarHBondContact O-CB 3.32Å; R248-L251 PolarHBondContact O-N 3.02Å; L251-V253 VanDerWaalsContact C-N 3.32Å; L251-V253 PolarHBondContact O-N 2.86Å; L251-H254 CarbonylContact O-C 3.57Å; L251-H254 WeakPolarHBondContact O-CA 3.24Å; L251-H254 WeakPolarHBondContact O-CB 3.21Å; L251-H254 PolarHBondContact O-N 3.48Å; L251-Q255 HydrophobicContact CD1-CG 4.09Å; L251-Q255 HydrophobicContact CG-CG 4.38Å; L251-Q255 WeakPolarHBondContact O-CG 3.13Å; L251-Q255 PolarHBondContact O-N 3.44Å
252I77.1Confident76.6Confident71 Ų7182.6 Ų82.636%0.36442%0.416SS..Hα-helixtrans-60.1-43.1178.8-69.3165.5000110.8R248 H254 Q255 R256R248-I252 HydrophobicContact CG-CD1 4.06Å; R248-I252 HydrophobicContact CG-CG1 4.47Å; R248-I252 VanDerWaalsContact O-CG1 3.31Å; R248-I252 WeakPolarHBondContact O-CG1 3.45Å; R248-I252 PolarHBondContact O-N 3.09Å; I252-H254 VanDerWaalsContact C-N 3.3Å; I252-H254 PolarHBondContact O-N 3.09Å; I252-Q255 PolarHBondContact O-N 3.24Å; I252-R256 PolarHBondContact O-N 3.31Å
253V76.6Confident77Confident47 Ų4776.3 Ų76.329%0.28540%0.401SS..Hα-helixtrans-64.7-36.3174.6167.40000111.8S249 L251 R256 V275S249-V253 VanDerWaalsContact O-CG2 3.31Å; S249-V253 WeakPolarHBondContact O-CG2 3.38Å; S249-V253 PolarHBondContact O-N 3.43Å; S249-V253 VanDerWaalsContact O-N 3.14Å; L251-V253 VanDerWaalsContact C-N 3.32Å; L251-V253 PolarHBondContact O-N 2.86Å; V253-R256 WeakPolarHBondContact O-CB 3.38Å; V253-R256 PolarHBondContact O-N 2.72Å; V253-V275 HydrophobicContact CG1-CG2 3.37Å
254H78.7Confident77.5Confident19 Ų1974.1 Ų74.19%0.08839%0.39CS..Hα-helixtrans-69.4-38.2176.4168.576.5000112.6C238 C241 F245 T250 L251 I252 R256 I257 H258C238-H254 PolarHBondContact SG-NE2 3.08Å; C241-H254 PolarHBondContact SG-NE2 3.08Å; F245-H254 HydrophobicContact CE1-CB 3.75Å; F245-H254 AromaticContact CE1-CG 3.84Å; F245-H254 HydrophobicContact CE2-CB 3.96Å; F245-H254 AromaticContact CE2-CD2 3.3Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.18Å; F245-H254 AromaticContact CE2-CG 3.55Å; F245-H254 AromaticContact CE2-NE2 3.84Å; F245-H254 HydrophobicContact CZ-CB 3.47Å; F245-H254 VanDerWaalsContact CZ-CB 3.47Å; F245-H254 AromaticContact CZ-CD2 3.31Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.32Å; F245-H254 AromaticContact CZ-CE1 3.8Å; F245-H254 AromaticContact CZ-CG 3.07Å; F245-H254 AromaticContact CZ-ND1 3.41Å; F245-H254 WeakPolarHBondContact CZ-ND1 3.43Å; F245-H254 AromaticContact CZ-NE2 3.74Å; T250-H254 VanDerWaalsContact O-CB 3.25Å; T250-H254 WeakPolarHBondContact O-CB 3.22Å; T250-H254 PolarHBondContact O-N 2.98Å; L251-H254 CarbonylContact O-C 3.57Å; L251-H254 WeakPolarHBondContact O-CA 3.24Å; L251-H254 WeakPolarHBondContact O-CB 3.21Å; L251-H254 PolarHBondContact O-N 3.48Å; I252-H254 VanDerWaalsContact C-N 3.3Å; I252-H254 PolarHBondContact O-N 3.09Å; H254-R256 PolarHBondContact O-N 3.09Å; H254-I257 WeakPolarHBondContact O-CB 3.19Å; H254-I257 WeakPolarHBondContact O-CG1 3.46Å; H254-I257 PolarHBondContact O-N 3.48Å; H254-H258 AromaticContact CE1-NE2 3.92Å; H254-H258 AromaticContact NE2-NE2 3.52Å
255Q76.3Confident77.8Confident66 Ų6674 Ų7431%0.30839%0.389SS..Hα-helixtrans-59.8-27.7175.8-75.3170.7-29.500112.3L251 I252 I257 H258 T259L251-Q255 HydrophobicContact CD1-CG 4.09Å; L251-Q255 HydrophobicContact CG-CG 4.38Å; L251-Q255 WeakPolarHBondContact O-CG 3.13Å; L251-Q255 PolarHBondContact O-N 3.44Å; I252-Q255 PolarHBondContact O-N 3.24Å; Q255-I257 PolarHBondContact O-N 3.17Å; Q255-H258 WeakPolarHBondContact O-CA 3.17Å; Q255-H258 WeakPolarHBondContact O-CB 3.4Å; Q255-H258 PolarHBondContact O-N 2.93Å; Q255-T259 PolarHBondContact O-N 3.01Å
256R81.9Confident77.9Confident42 Ų4271.5 Ų71.516%0.15838%0.378CS..THydrogen-bonded Turntrans-62.6-12.3170.8-60.3179.6-176.1150.67.3114.6I252 V253 H254 H258 T259 G260 E261 R274I252-R256 PolarHBondContact O-N 3.31Å; V253-R256 WeakPolarHBondContact O-CB 3.38Å; V253-R256 PolarHBondContact O-N 2.72Å; H254-R256 PolarHBondContact O-N 3.09Å; R256-H258 VanDerWaalsContact C-N 3.34Å; R256-T259 WeakPolarHBondContact CA-OG1 3.37Å; R256-G260 PolarHBondContact O-N 3.47Å; R256-E261 HydrophobicContact CB-CB 4.39Å; R256-E261 HydrophobicContact CG-CB 4.18Å; R256-R274 HydrophobicContact CB-CG 4.44Å; R256-R274 PolarHBondContact NH1-O 3.4Å; R256-R274 PolarHBondContact O-NE 3.24Å
257I74Confident78.1Confident87 Ų8770.3 Ų70.345%0.44637%0.37SS..THydrogen-bonded Turntrans-69.6-39.6170.4-59.9179.6000110.3H254 Q255 R274H254-I257 WeakPolarHBondContact O-CB 3.19Å; H254-I257 WeakPolarHBondContact O-CG1 3.46Å; H254-I257 PolarHBondContact O-N 3.48Å; Q255-I257 PolarHBondContact O-N 3.17Å; I257-R274 PolarHBondContact O-NH2 2.62Å
258H75.5Confident78Confident65 Ų6568.3 Ų68.330%0.30137%0.365SS..THydrogen-bonded Turntrans-81.1-48.2-177.2-65.7-82.3000111.8E240 H254 Q255 R256 G260E240-H258 WeakPolarHBondContact OE1-CB 3.31Å; E240-H258 IonicContact OE1-CG 3.97Å; E240-H258 WeakPolarHBondContact OE2-CB 3.38Å; E240-H258 IonicContact OE2-CE1 3.66Å; E240-H258 IonicContact OE2-CG 3.05Å; E240-H258 IonicContact OE2-ND1 3.03Å; E240-H258 PolarHBondContact OE2-ND1 2.6Å; H254-H258 AromaticContact CE1-NE2 3.92Å; H254-H258 AromaticContact NE2-NE2 3.52Å; Q255-H258 WeakPolarHBondContact O-CA 3.17Å; Q255-H258 WeakPolarHBondContact O-CB 3.4Å; Q255-H258 PolarHBondContact O-N 2.93Å; R256-H258 VanDerWaalsContact C-N 3.34Å; H258-G260 PolarHBondContact O-N 3.46Å
259T74Confident77.8Confident81 Ų8162.8 Ų62.850%0.49735%0.351SS..SBendtrans-75.4-12.117966.10000113.6Q255 R256 E261Q255-T259 PolarHBondContact O-N 3.01Å; R256-T259 WeakPolarHBondContact CA-OG1 3.37Å; T259-E261 PolarHBondContact O-N 3.44Å; T259-E261 VanDerWaalsContact O-N 3.14Å; T259-E261 WeakPolarHBondContact OG1-CG 3.38Å
260G72.2Confident77.8Confident40 Ų4069.3 Ų69.341%0.41237%0.365SS..  trans72.3-1.3-178.300000115.1R256 H258 K262R256-G260 PolarHBondContact O-N 3.47Å; H258-G260 PolarHBondContact O-N 3.46Å; G260-K262 PolarHBondContact O-N 3.45Å
261E75.8Confident77.6Confident108 Ų10872.8 Ų72.851%0.50538%0.375SS..  trans-58.2130.6-178-73.5177-171.600112.9R256 T259R256-E261 HydrophobicContact CB-CB 4.39Å; R256-E261 HydrophobicContact CG-CB 4.18Å; T259-E261 PolarHBondContact O-N 3.44Å; T259-E261 VanDerWaalsContact O-N 3.14Å; T259-E261 WeakPolarHBondContact OG1-CG 3.38Å
262K81.4Confident77.4Confident100 Ų10075.2 Ų75.244%0.43539%0.39SS..  trans-130.177.1176.9-68.7173.5-175.9175.20110.4G260 Y264 T272 F273 R274G260-K262 PolarHBondContact O-N 3.45Å; K262-Y264 PolarHBondContact O-N 2.69Å; K262-Y264 VanDerWaalsContact O-N 3.15Å; K262-T272 WeakPolarHBondContact CB-OG1 3.4Å; K262-T272 WeakPolarHBondContact CD-OG1 3.34Å; K262-F273 CarbonylContact C-O 3.44Å; K262-F273 VanDerWaalsContact C-O 3.24Å; K262-F273 WeakPolarHBondContact CA-O 3.47Å; K262-R274 HydrophobicContact CG-CG 3.89Å
263P82.2Confident77.7Confident69 Ų6973.7 Ų73.745%0.44838%0.381SS..  trans-66.6-18.8-169-22.734.9000114.9
264Y85.1Confident78Confident74 Ų7475.6 Ų75.629%0.2938%0.383SS..EExtended strand (participates in β ladder)trans-101.1107.5-171.9-59.5-80.5000110.6K262 T272 F273 V275 K276K262-Y264 PolarHBondContact O-N 2.69Å; K262-Y264 VanDerWaalsContact O-N 3.15Å; Y264-T272 CarbonylContact O-C 3.5Å; Y264-T272 VanDerWaalsContact O-CA 3.32Å; Y264-T272 WeakPolarHBondContact O-CA 3.33Å; Y264-F273 WeakPolarHBondContact CB-O 3.47Å; Y264-F273 WeakPolarHBondContact CD2-O 3.48Å; Y264-F273 PolarHBondContact N-O 3.45Å; Y264-F273 VanDerWaalsContact N-O 3.08Å; Y264-F273 PolarHBondContact O-N 3.29Å; Y264-V275 VanDerWaalsContact CD2-C 3.43Å; Y264-K276 HydrophobicContact CD1-CB 3.85Å; Y264-K276 HydrophobicContact CD1-CG 4.11Å; Y264-K276 HydrophobicContact CE1-CB 3.51Å; Y264-K276 HydrophobicContact CE1-CD 4.27Å; Y264-K276 HydrophobicContact CE1-CG 3.93Å; Y264-K276 HydrophobicContact CE2-CB 4.39Å; Y264-K276 HydrophobicContact CG-CB 4.41Å
265V78.4Confident78.1Confident82 Ų8276.8 Ų76.850%0.49739%0.392SS..EExtended strand (participates in β ladder)trans-99135.8-178-170.20000110.6T272 L279V265-T272 HydrophobicContact CB-CG2 4.43Å; V265-T272 HydrophobicContact CG1-CG2 4.23Å; V265-T272 HydrophobicContact CG2-CG2 3.9Å; V265-L279 WeakPolarHBondContact O-CD2 3.47Å
266C83.4Confident78.3Confident1 Ų180.2 Ų80.21%0.00741%0.405CS..  trans-77.8126.2170.9178.80000110.6D268 R270 K271 F273 L279 H286C266-D268 VanDerWaalsContact C-N 3.26Å; C266-D268 PolarHBondContact O-N 2.79Å; C266-D268 PolarHBondContact SG-N 2.83Å; C266-R270 WeakPolarHBondContact O-CA 3.05Å; C266-R270 PolarHBondContact O-N 2.99Å; C266-K271 WeakPolarHBondContact CB-O 3.27Å; C266-K271 PolarHBondContact N-O 3.03Å; C266-F273 HydrophobicContact CB-CE2 4.27Å; C266-L279 HydrophobicContact CB-CD1 3.58Å; C266-H286 PolarHBondContact SG-NE2 2.85Å; C266-H286 VanDerWaalsContact SG-NE2 3.43Å
267S80.6Confident78.2Confident89 Ų8983 Ų8362%0.62243%0.427SS*.THydrogen-bonded Turntrans-57.3-38.9175.247.50000112.6
268D76.1Confident78.5Confident90 Ų9080.4 Ų80.448%0.48142%0.417SS..THydrogen-bonded Turntrans-86.9-32.1-165.3-42.3-34.4000112.4C266 H286C266-D268 VanDerWaalsContact C-N 3.26Å; C266-D268 PolarHBondContact O-N 2.79Å; C266-D268 PolarHBondContact SG-N 2.83Å; D268-H286 IonicContact OD2-CD2 2.76Å; D268-H286 PolarHBondContact OD2-CD2 2.82Å; D268-H286 VanDerWaalsContact OD2-CD2 3.28Å; D268-H286 IonicContact OD2-CG 2.56Å
269C72.4Confident78.9Confident48 Ų4878.4 Ų78.432%0.32441%0.408SS..THydrogen-bonded Turntrans-130.15.5-176.976.20000114.6K271 H282 H286C269-K271 PolarHBondContact O-N 3.13Å; C269-K271 VanDerWaalsContact SG-CB 3.59Å; C269-K271 VanDerWaalsContact SG-CG 3.6Å; C269-H282 PolarHBondContact SG-NE2 2.98Å; C269-H286 PolarHBondContact SG-NE2 3.38Å
270R76.5Confident79.2Confident211 Ų21177.8 Ų77.880%0.79640%0.404SS*.  trans55.510.6-178.4-59.9-172.8178.6176.8-0.2115.8C266C266-R270 WeakPolarHBondContact O-CA 3.05Å; C266-R270 PolarHBondContact O-N 2.99Å
271K71.5Confident79.6Confident129 Ų12981.7 Ų81.756%0.56141%0.407SS*.  trans-65.7139.2173.1-75.4-178.1179.2177.20110.6C266 C269 F273C266-K271 WeakPolarHBondContact CB-O 3.27Å; C266-K271 PolarHBondContact N-O 3.03Å; C269-K271 PolarHBondContact O-N 3.13Å; C269-K271 VanDerWaalsContact SG-CB 3.59Å; C269-K271 VanDerWaalsContact SG-CG 3.6Å; K271-F273 HydrophobicContact CB-CE2 3.89Å; K271-F273 HydrophobicContact CB-CZ 4Å; K271-F273 WeakPolarHBondContact O-CE2 3.41Å
272T76Confident79.8Confident60 Ų6077.5 Ų77.537%0.36839%0.387SS..EExtended strand (participates in β ladder)trans-107.9143.5-175.864.50000111.9K262 Y264 V265K262-T272 WeakPolarHBondContact CB-OG1 3.4Å; K262-T272 WeakPolarHBondContact CD-OG1 3.34Å; Y264-T272 CarbonylContact O-C 3.5Å; Y264-T272 VanDerWaalsContact O-CA 3.32Å; Y264-T272 WeakPolarHBondContact O-CA 3.33Å; V265-T272 HydrophobicContact CB-CG2 4.43Å; V265-T272 HydrophobicContact CG1-CG2 4.23Å; V265-T272 HydrophobicContact CG2-CG2 3.9Å
273F83.8Confident79.6Confident40 Ų4078.2 Ų78.218%0.17539%0.387CS..EExtended strand (participates in β ladder)trans-130.4147.9-174.5-59.3-88.6000110.9K262 Y264 C266 K271 L279 H282K262-F273 CarbonylContact C-O 3.44Å; K262-F273 VanDerWaalsContact C-O 3.24Å; K262-F273 WeakPolarHBondContact CA-O 3.47Å; Y264-F273 WeakPolarHBondContact CB-O 3.47Å; Y264-F273 WeakPolarHBondContact CD2-O 3.48Å; Y264-F273 PolarHBondContact N-O 3.45Å; Y264-F273 VanDerWaalsContact N-O 3.08Å; Y264-F273 PolarHBondContact O-N 3.29Å; C266-F273 HydrophobicContact CB-CE2 4.27Å; K271-F273 HydrophobicContact CB-CE2 3.89Å; K271-F273 HydrophobicContact CB-CZ 4Å; K271-F273 WeakPolarHBondContact O-CE2 3.41Å; F273-L279 HydrophobicContact CB-CB 4.25Å; F273-L279 HydrophobicContact CD2-CB 3.83Å; F273-L279 HydrophobicContact CD2-CD1 3.73Å; F273-L279 HydrophobicContact CD2-CG 4.37Å; F273-L279 HydrophobicContact CE2-CD1 3.85Å; F273-L279 HydrophobicContact CG-CB 4.16Å; F273-H282 HydrophobicContact CE1-CB 3.8Å; F273-H282 AromaticContact CE1-CG 3.97Å; F273-H282 HydrophobicContact CE2-CB 3.9Å; F273-H282 AromaticContact CE2-CD2 3.48Å; F273-H282 VanDerWaalsContact CE2-CD2 3.48Å; F273-H282 WeakPolarHBondContact CE2-CD2 3.46Å; F273-H282 AromaticContact CE2-CG 3.69Å; F273-H282 HydrophobicContact CZ-CB 3.38Å; F273-H282 AromaticContact CZ-CD2 3.38Å; F273-H282 WeakPolarHBondContact CZ-CD2 3.39Å; F273-H282 AromaticContact CZ-CG 3.13Å; F273-H282 AromaticContact CZ-ND1 3.63Å; F273-H282 AromaticContact CZ-NE2 3.97Å
274R81.9Confident79.6Confident87 Ų8777.4 Ų77.433%0.32838%0.375SS..SBendtrans-75.7-24.3178.7-64.5-175.3173.1144.7-3.2113.4R256 I257 K262R256-R274 HydrophobicContact CB-CG 4.44Å; R256-R274 PolarHBondContact NH1-O 3.4Å; R256-R274 PolarHBondContact O-NE 3.24Å; I257-R274 PolarHBondContact O-NH2 2.62Å; K262-R274 HydrophobicContact CG-CG 3.89Å
275V80.4Confident79.1Confident43 Ų4379 Ų7926%0.26139%0.388SS..SBendtrans-136.8139.2-174.3-168.50000110.5V253 Y264 T277 S278 L279V253-V275 HydrophobicContact CG1-CG2 3.37Å; Y264-V275 VanDerWaalsContact CD2-C 3.43Å; V275-T277 VanDerWaalsContact C-N 3.31Å; V275-T277 WeakPolarHBondContact CG1-OG1 3.42Å; V275-T277 PolarHBondContact O-N 3.11Å; V275-S278 WeakPolarHBondContact O-CB 2.87Å; V275-S278 PolarHBondContact O-N 3.24Å; V275-L279 PolarHBondContact O-N 2.79Å
276K80.6Confident78.7Confident138 Ų13879 Ų7960%0.638%0.382SS*.Hα-helixtrans-53.7-43.3179.1-165.6174.5179.2177.70112.9Y264 S278 L279 T280Y264-K276 HydrophobicContact CD1-CB 3.85Å; Y264-K276 HydrophobicContact CD1-CG 4.11Å; Y264-K276 HydrophobicContact CE1-CB 3.51Å; Y264-K276 HydrophobicContact CE1-CD 4.27Å; Y264-K276 HydrophobicContact CE1-CG 3.93Å; Y264-K276 HydrophobicContact CE2-CB 4.39Å; Y264-K276 HydrophobicContact CG-CB 4.41Å; K276-S278 PolarHBondContact O-N 3.11Å; K276-L279 WeakPolarHBondContact O-CB 3.4Å; K276-L279 PolarHBondContact O-N 3.27Å; K276-T280 PolarHBondContact O-N 3.16Å; K276-T280 PolarHBondContact O-OG1 3.01Å
277T80.3Confident78.3Confident101 Ų10182.1 Ų82.162%0.6240%0.401SS*.Hα-helixtrans-60-32.4178.154.90000113V275 R281V275-T277 VanDerWaalsContact C-N 3.31Å; V275-T277 WeakPolarHBondContact CG1-OG1 3.42Å; V275-T277 PolarHBondContact O-N 3.11Å; T277-R281 WeakPolarHBondContact O-CB 3.45Å; T277-R281 PolarHBondContact O-N 2.97Å
278S81.2Confident78Confident32 Ų3280.3 Ų80.322%0.22440%0.396CS..Hα-helixtrans-71.7-36.9175.6-64.10000112V275 K276 H282V275-S278 WeakPolarHBondContact O-CB 2.87Å; V275-S278 PolarHBondContact O-N 3.24Å; K276-S278 PolarHBondContact O-N 3.11Å; S278-H282 VanDerWaalsContact O-CB 3.29Å; S278-H282 WeakPolarHBondContact O-CB 3.32Å; S278-H282 PolarHBondContact O-N 3.32Å
279L82.8Confident78Confident23 Ų2381 Ų8112%0.1240%0.397CS..Hα-helixtrans-66.3-46.2171.7172.162.1000111.1V265 C266 F273 V275 K276 R281 H282 R283V265-L279 WeakPolarHBondContact O-CD2 3.47Å; C266-L279 HydrophobicContact CB-CD1 3.58Å; F273-L279 HydrophobicContact CB-CB 4.25Å; F273-L279 HydrophobicContact CD2-CB 3.83Å; F273-L279 HydrophobicContact CD2-CD1 3.73Å; F273-L279 HydrophobicContact CD2-CG 4.37Å; F273-L279 HydrophobicContact CE2-CD1 3.85Å; F273-L279 HydrophobicContact CG-CB 4.16Å; V275-L279 PolarHBondContact O-N 2.79Å; K276-L279 WeakPolarHBondContact O-CB 3.4Å; K276-L279 PolarHBondContact O-N 3.27Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.31Å; L279-H282 CarbonylContact O-C 3.27Å; L279-H282 WeakPolarHBondContact O-CA 3.37Å; L279-H282 WeakPolarHBondContact O-CB 3.33Å; L279-H282 PolarHBondContact O-N 2.77Å; L279-R283 HydrophobicContact CD1-CG 4.25Å; L279-R283 WeakPolarHBondContact O-CG 3.46Å; L279-R283 PolarHBondContact O-N 3.03Å
280T81.4Confident78.4Confident68 Ų6885.6 Ų85.642%0.41741%0.407SS..Hα-helixtrans-58.9-44.8177.2-54.10000111.6K276 H282 R283K276-T280 PolarHBondContact O-N 3.16Å; K276-T280 PolarHBondContact O-OG1 3.01Å; T280-H282 VanDerWaalsContact C-N 3.32Å; T280-H282 PolarHBondContact O-N 2.83Å; T280-R283 PolarHBondContact O-N 3.21Å
281R79.2Confident78.8Confident122 Ų12279 Ų7946%0.4639%0.391SS..Hα-helixtrans-62.7-39173.3-179.8177.759.1-165.6-5.7112.1T277 L279 R284 I302T277-R281 WeakPolarHBondContact O-CB 3.45Å; T277-R281 PolarHBondContact O-N 2.97Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.31Å; R281-R284 WeakPolarHBondContact O-CB 3.46Å; R281-R284 PolarHBondContact O-N 3.43Å; R281-I302 HydrophobicContact CG-CG2 4.46Å
282H79.9Confident79.3Confident20 Ų2076.3 Ų76.39%0.09338%0.378CS..Hα-helixtrans-65.7-38.8177.9174.568.5000112.7C269 F273 S278 L279 T280 R284 I285 H286C269-H282 PolarHBondContact SG-NE2 2.98Å; F273-H282 HydrophobicContact CE1-CB 3.8Å; F273-H282 AromaticContact CE1-CG 3.97Å; F273-H282 HydrophobicContact CE2-CB 3.9Å; F273-H282 AromaticContact CE2-CD2 3.48Å; F273-H282 VanDerWaalsContact CE2-CD2 3.48Å; F273-H282 WeakPolarHBondContact CE2-CD2 3.46Å; F273-H282 AromaticContact CE2-CG 3.69Å; F273-H282 HydrophobicContact CZ-CB 3.38Å; F273-H282 AromaticContact CZ-CD2 3.38Å; F273-H282 WeakPolarHBondContact CZ-CD2 3.39Å; F273-H282 AromaticContact CZ-CG 3.13Å; F273-H282 AromaticContact CZ-ND1 3.63Å; F273-H282 AromaticContact CZ-NE2 3.97Å; S278-H282 VanDerWaalsContact O-CB 3.29Å; S278-H282 WeakPolarHBondContact O-CB 3.32Å; S278-H282 PolarHBondContact O-N 3.32Å; L279-H282 CarbonylContact O-C 3.27Å; L279-H282 WeakPolarHBondContact O-CA 3.37Å; L279-H282 WeakPolarHBondContact O-CB 3.33Å; L279-H282 PolarHBondContact O-N 2.77Å; T280-H282 VanDerWaalsContact C-N 3.32Å; T280-H282 PolarHBondContact O-N 2.83Å; H282-R284 PolarHBondContact O-N 3.08Å; H282-I285 VanDerWaalsContact O-CB 3.24Å; H282-I285 WeakPolarHBondContact O-CB 3.25Å; H282-I285 WeakPolarHBondContact O-CG1 3.4Å; H282-I285 PolarHBondContact O-N 3.05Å; H282-H286 AromaticContact CD2-NE2 3.95Å; H282-H286 AromaticContact CE1-NE2 3.93Å; H282-H286 AromaticContact NE2-NE2 3.26Å; H282-H286 PolarHBondContact NE2-NE2 3.29Å
283R78.9Confident79.8Confident116 Ų11678.7 Ų78.744%0.43839%0.385SS..Hα-helixtrans-59.2-30177.7-74.4-174.170.8-128.20.1113.2L279 T280 I285 H286 T287L279-R283 HydrophobicContact CD1-CG 4.25Å; L279-R283 WeakPolarHBondContact O-CG 3.46Å; L279-R283 PolarHBondContact O-N 3.03Å; T280-R283 PolarHBondContact O-N 3.21Å; R283-I285 PolarHBondContact O-N 3.17Å; R283-I285 VanDerWaalsContact O-N 3.11Å; R283-H286 PolarHBondContact O-N 2.91Å; R283-T287 PolarHBondContact O-N 2.75Å
284R82.2Confident79.8Confident52 Ų5276.8 Ų76.820%0.19638%0.377CS..Hα-helixtrans-60.4-18.9174.1-63.2-179.8-176.3168.3-0.8113.9R281 H282 G288 E289 I302R281-R284 WeakPolarHBondContact O-CB 3.46Å; R281-R284 PolarHBondContact O-N 3.43Å; H282-R284 PolarHBondContact O-N 3.08Å; R284-G288 WeakPolarHBondContact O-CA 3.46Å; R284-G288 PolarHBondContact O-N 3.27Å; R284-E289 HydrophobicContact CB-CB 4.42Å; R284-E289 HydrophobicContact CG-CB 4.26Å; R284-E289 PolarHBondContact O-N 3.44Å; R284-I302 HydrophobicContact CB-CG2 3.74Å; R284-I302 PolarHBondContact NH1-O 3.45Å
285I73.9Confident79.8Confident107 Ų10777.3 Ų77.355%0.54939%0.394SS..Hα-helixtrans-71.7-35.5172.7-57.3174.9000110.6H282 R283 I302H282-I285 VanDerWaalsContact O-CB 3.24Å; H282-I285 WeakPolarHBondContact O-CB 3.25Å; H282-I285 WeakPolarHBondContact O-CG1 3.4Å; H282-I285 PolarHBondContact O-N 3.05Å; R283-I285 PolarHBondContact O-N 3.17Å; R283-I285 VanDerWaalsContact O-N 3.11Å; I285-I302 HydrophobicContact CG1-CD1 4.41Å
286H70.6Confident79.7Confident83 Ų8381 Ų8138%0.38441%0.409SS..Hα-helixtrans-82.5-38.9179.3-56.4-52000111.8C266 D268 C269 H282 R283 G288C266-H286 PolarHBondContact SG-NE2 2.85Å; C266-H286 VanDerWaalsContact SG-NE2 3.43Å; D268-H286 IonicContact OD2-CD2 2.76Å; D268-H286 PolarHBondContact OD2-CD2 2.82Å; D268-H286 VanDerWaalsContact OD2-CD2 3.28Å; D268-H286 IonicContact OD2-CG 2.56Å; C269-H286 PolarHBondContact SG-NE2 3.38Å; H282-H286 AromaticContact CD2-NE2 3.95Å; H282-H286 AromaticContact CE1-NE2 3.93Å; H282-H286 AromaticContact NE2-NE2 3.26Å; H282-H286 PolarHBondContact NE2-NE2 3.29Å; R283-H286 PolarHBondContact O-N 2.91Å; H286-G288 VanDerWaalsContact C-N 3.33Å
287T74.3Confident79.6Confident65 Ų6576.7 Ų76.740%0.39940%0.395SS..Hα-helixtrans-82-11.6179.564.60000113.5R283 E289R283-T287 PolarHBondContact O-N 2.75Å; T287-E289 PolarHBondContact O-N 3.23Å; T287-E289 VanDerWaalsContact O-N 3.16Å; T287-E289 WeakPolarHBondContact OG1-CG 3.38Å; T287-E289 PolarHBondContact OG1-OE1 3.38Å
288G73.5Confident79.6Confident51 Ų5181.3 Ų81.353%0.52640%0.401SS..  trans70.61.6-177.100000114.5R284 H286 R290R284-G288 WeakPolarHBondContact O-CA 3.46Å; R284-G288 PolarHBondContact O-N 3.27Å; H286-G288 VanDerWaalsContact C-N 3.33Å; G288-R290 PolarHBondContact O-N 2.98Å
289E77.3Confident79.2Confident105 Ų10585.8 Ų85.849%0.49142%0.416SS..  trans-59.2124.1179.6-76.1168.6-13900111.7R284 T287 P291R284-E289 HydrophobicContact CB-CB 4.42Å; R284-E289 HydrophobicContact CG-CB 4.26Å; R284-E289 PolarHBondContact O-N 3.44Å; T287-E289 PolarHBondContact O-N 3.23Å; T287-E289 VanDerWaalsContact O-N 3.16Å; T287-E289 WeakPolarHBondContact OG1-CG 3.38Å; T287-E289 PolarHBondContact OG1-OE1 3.38Å; E289-P291 WeakPolarHBondContact O-CD 3.15Å
290R80.8Confident79Confident145 Ų14587.4 Ų87.455%0.54743%0.428SS..  trans-124.777.1175.4-69.8177.9171158.40.9110.2G288 Y292 T300 F301 I302G288-R290 PolarHBondContact O-N 2.98Å; R290-Y292 PolarHBondContact O-N 3.06Å; R290-Y292 VanDerWaalsContact O-N 3.11Å; R290-T300 WeakPolarHBondContact CB-OG1 3.3Å; R290-T300 WeakPolarHBondContact CD-OG1 3.16Å; R290-F301 CarbonylContact C-O 3.58Å; R290-F301 VanDerWaalsContact C-O 3.27Å; R290-F301 WeakPolarHBondContact CA-O 3.46Å; R290-I302 HydrophobicContact CG-CG1 3.89Å
291P83.5Confident79Confident71 Ų7186.1 Ų86.146%0.46142%0.416SS..  trans-70.3-9.5-167.7-20.434.4000115.1E289E289-P291 WeakPolarHBondContact O-CD 3.15Å
292Y83.9Confident78.7Confident74 Ų7482.7 Ų82.729%0.2941%0.407SS..EExtended strand (participates in β ladder)trans-110.6104.4-173.9-56.7-74.4000109.9R290 T300 F301 K304R290-Y292 PolarHBondContact O-N 3.06Å; R290-Y292 VanDerWaalsContact O-N 3.11Å; Y292-T300 CarbonylContact O-C 3.6Å; Y292-T300 WeakPolarHBondContact O-CA 3.47Å; Y292-F301 PolarHBondContact N-O 3.2Å; Y292-F301 PolarHBondContact O-N 2.85Å; Y292-K304 HydrophobicContact CD1-CB 3.93Å; Y292-K304 HydrophobicContact CD1-CG 4.27Å; Y292-K304 VanDerWaalsContact CD2-N 3.32Å; Y292-K304 HydrophobicContact CE1-CB 3.76Å; Y292-K304 HydrophobicContact CE1-CG 4.28Å; Y292-K304 HydrophobicContact CE2-CB 4.34Å; Y292-K304 HydrophobicContact CG-CB 4.31Å
293E84.6Confident78.6Confident109 Ų10984 Ų8451%0.50941%0.414SS..EExtended strand (participates in β ladder)trans-96140179.5-173.2176.4164.900111.6R298 T300 L307E293-R298 WeakPolarHBondContact OE1-CB 3.49Å; E293-R298 WeakPolarHBondContact OE1-CG 2.9Å; E293-T300 HydrophobicContact CB-CG2 4.16Å; E293-T300 HydrophobicContact CG-CG2 4.09Å; E293-L307 WeakPolarHBondContact O-CD2 3.27Å
294C83.8Confident78.5Confident0 Ų084.8 Ų84.80%042%0.421CS..  trans-78120.3170.4-179.20000110.3E296 C297 R298 K299 F301 L307 H314C294-E296 PolarHBondContact O-N 3.34Å; C294-E296 VanDerWaalsContact O-N 3.15Å; C294-C297 VanDerWaalsContact SG-SG 3.65Å; C294-R298 WeakPolarHBondContact O-CA 3.4Å; C294-R298 PolarHBondContact O-N 3.4Å; C294-K299 WeakPolarHBondContact CB-O 3.5Å; C294-K299 PolarHBondContact N-O 3.34Å; C294-F301 HydrophobicContact CB-CE2 4.29Å; C294-L307 HydrophobicContact CB-CD1 3.65Å; C294-H314 PolarHBondContact SG-NE2 3.29Å; C294-H314 VanDerWaalsContact SG-NE2 3.39Å
295S81.8Confident78.2Confident98 Ų9886 Ų8669%0.68544%0.438SS*.THydrogen-bonded Turntrans-57.6-26.3177.446.30000114.1
296E78.8Confident78.2Confident122 Ų12282.2 Ų82.257%0.5742%0.422SS*.THydrogen-bonded Turntrans-95.8-37.4-172.3-65.2175.2-121.200113.6C294 H314C294-E296 PolarHBondContact O-N 3.34Å; C294-E296 VanDerWaalsContact O-N 3.15Å; E296-H314 WeakPolarHBondContact OE2-CB 3.48Å; E296-H314 IonicContact OE2-CD2 3.77Å; E296-H314 IonicContact OE2-CG 2.73Å
297C79.9Confident78.6Confident47 Ų4779 Ų7932%0.31841%0.408SS..THydrogen-bonded Turntrans-1246.4-177.475.80000114.3C294 K299 H310 H314C294-C297 VanDerWaalsContact SG-SG 3.65Å; C297-K299 PolarHBondContact O-N 3.47Å; C297-K299 VanDerWaalsContact SG-CG 3.58Å; C297-H310 PolarHBondContact SG-NE2 3.02Å; C297-H314 PolarHBondContact SG-NE2 2.95Å
298R79.4Confident78.7Confident198 Ų19879.9 Ų79.975%0.74741%0.409SS*.  trans56.112.8-179.6-56.1-169.9-174.4176.80.7115.5E293 C294E293-R298 WeakPolarHBondContact OE1-CB 3.49Å; E293-R298 WeakPolarHBondContact OE1-CG 2.9Å; C294-R298 WeakPolarHBondContact O-CA 3.4Å; C294-R298 PolarHBondContact O-N 3.4Å
299K73.9Confident78.4Confident125 Ų12579.1 Ų79.154%0.54339%0.394SS..  trans-67.9134.3173.6-74.6-179.8-179.9174.40110C294 C297 F301C294-K299 WeakPolarHBondContact CB-O 3.5Å; C294-K299 PolarHBondContact N-O 3.34Å; C297-K299 PolarHBondContact O-N 3.47Å; C297-K299 VanDerWaalsContact SG-CG 3.58Å; K299-F301 HydrophobicContact CB-CE2 3.79Å; K299-F301 HydrophobicContact CB-CZ 3.92Å; K299-F301 WeakPolarHBondContact O-CD2 3.43Å; K299-F301 WeakPolarHBondContact O-CE2 3.21Å
300T77.5Confident78.3Confident58 Ų5874.9 Ų74.936%0.35637%0.374SS..EExtended strand (participates in β ladder)trans-104.2142.9-17761.10000111.9R290 Y292 E293R290-T300 WeakPolarHBondContact CB-OG1 3.3Å; R290-T300 WeakPolarHBondContact CD-OG1 3.16Å; Y292-T300 CarbonylContact O-C 3.6Å; Y292-T300 WeakPolarHBondContact O-CA 3.47Å; E293-T300 HydrophobicContact CB-CG2 4.16Å; E293-T300 HydrophobicContact CG-CG2 4.09Å
301F80.4Confident77.9Confident40 Ų4071 Ų7118%0.17536%0.362CS..EExtended strand (participates in β ladder)trans-129.1148.9-173.3-61.2-88.4000111.4R290 Y292 C294 K299 A306 L307 H310R290-F301 CarbonylContact C-O 3.58Å; R290-F301 VanDerWaalsContact C-O 3.27Å; R290-F301 WeakPolarHBondContact CA-O 3.46Å; Y292-F301 PolarHBondContact N-O 3.2Å; Y292-F301 PolarHBondContact O-N 2.85Å; C294-F301 HydrophobicContact CB-CE2 4.29Å; K299-F301 HydrophobicContact CB-CE2 3.79Å; K299-F301 HydrophobicContact CB-CZ 3.92Å; K299-F301 WeakPolarHBondContact O-CD2 3.43Å; K299-F301 WeakPolarHBondContact O-CE2 3.21Å; F301-A306 HydrophobicContact CB-CB 4.33Å; F301-A306 HydrophobicContact CD1-CB 3.89Å; F301-A306 HydrophobicContact CG-CB 4.41Å; F301-L307 HydrophobicContact CB-CB 4.19Å; F301-L307 HydrophobicContact CD2-CB 3.9Å; F301-L307 HydrophobicContact CD2-CD1 3.69Å; F301-L307 HydrophobicContact CD2-CG 4.39Å; F301-L307 HydrophobicContact CE2-CD1 3.9Å; F301-L307 HydrophobicContact CG-CB 4.16Å; F301-H310 HydrophobicContact CE1-CB 3.77Å; F301-H310 AromaticContact CE1-CG 3.91Å; F301-H310 HydrophobicContact CE2-CB 3.89Å; F301-H310 AromaticContact CE2-CD2 3.37Å; F301-H310 WeakPolarHBondContact CE2-CD2 3.06Å; F301-H310 AromaticContact CE2-CG 3.59Å; F301-H310 HydrophobicContact CZ-CB 3.39Å; F301-H310 AromaticContact CZ-CD2 3.34Å; F301-H310 WeakPolarHBondContact CZ-CD2 3.35Å; F301-H310 AromaticContact CZ-CE1 4Å; F301-H310 AromaticContact CZ-CG 3.08Å; F301-H310 AromaticContact CZ-ND1 3.53Å; F301-H310 AromaticContact CZ-NE2 3.88Å
302I73.6Confident77.4Confident51 Ų5172.3 Ų72.326%0.26236%0.361SS..SBendtrans-74.7-30.4-179.4-62.1174.2000111.4R281 R284 I285 R290R281-I302 HydrophobicContact CG-CG2 4.46Å; R284-I302 HydrophobicContact CB-CG2 3.74Å; R284-I302 PolarHBondContact NH1-O 3.45Å; I285-I302 HydrophobicContact CG1-CD1 4.41Å; R290-I302 HydrophobicContact CG-CG1 3.89Å
303D77.4Confident76.5Confident47 Ų4772.8 Ų72.825%0.25137%0.367SS..SBendtrans-130.7152.5177.867.421.8000113.2S305 A306 L307D303-S305 PolarHBondContact O-N 2.89Å; D303-A306 PolarHBondContact O-N 2.84Å; D303-A306 WeakPolarHBondContact OD1-CA 3.38Å; D303-A306 WeakPolarHBondContact OD1-CB 3.28Å; D303-A306 PolarHBondContact OD1-N 3.14Å; D303-L307 PolarHBondContact O-N 2.86Å
304K77.8Confident75.7Confident132 Ų13270.9 Ų70.957%0.57436%0.358SS*.Hα-helixtrans-63.5-32.4178.4-168.7176.2-179.9176.60111.3Y292 L307 I308Y292-K304 HydrophobicContact CD1-CB 3.93Å; Y292-K304 HydrophobicContact CD1-CG 4.27Å; Y292-K304 VanDerWaalsContact CD2-N 3.32Å; Y292-K304 HydrophobicContact CE1-CB 3.76Å; Y292-K304 HydrophobicContact CE1-CG 4.28Å; Y292-K304 HydrophobicContact CE2-CB 4.34Å; Y292-K304 HydrophobicContact CG-CB 4.31Å; K304-L307 PolarHBondContact O-N 3.09Å; K304-I308 HydrophobicContact CG-CD1 4.06Å; K304-I308 HydrophobicContact CG-CG1 4.5Å; K304-I308 VanDerWaalsContact O-CG1 3.25Å; K304-I308 WeakPolarHBondContact O-CG1 3.32Å; K304-I308 PolarHBondContact O-N 3.39Å
305S75.3Confident74.8Confident79 Ų7973.4 Ų73.455%0.55239%0.385SS*.Hα-helixtrans-65.9-39.1178.9-57.50000112.8D303 I308 V309D303-S305 PolarHBondContact O-N 2.89Å; S305-I308 PolarHBondContact O-N 3.14Å; S305-V309 VanDerWaalsContact O-CG2 3.25Å; S305-V309 WeakPolarHBondContact O-CG2 3.37Å; S305-V309 PolarHBondContact O-N 2.88Å
306A73.8Confident73.7Confident27 Ų2772 Ų7222%0.22339%0.385CS..Hα-helixtrans-70.1-37.2174.500000111.5F301 D303 V309 H310F301-A306 HydrophobicContact CB-CB 4.33Å; F301-A306 HydrophobicContact CD1-CB 3.89Å; F301-A306 HydrophobicContact CG-CB 4.41Å; D303-A306 PolarHBondContact O-N 2.84Å; D303-A306 WeakPolarHBondContact OD1-CA 3.38Å; D303-A306 WeakPolarHBondContact OD1-CB 3.28Å; D303-A306 PolarHBondContact OD1-N 3.14Å; A306-V309 PolarHBondContact O-N 2.76Å; A306-H310 VanDerWaalsContact O-CB 3.24Å; A306-H310 WeakPolarHBondContact O-CB 3.24Å; A306-H310 PolarHBondContact O-N 3.21Å
307L80.3Confident72.7Confident16 Ų1673.7 Ų73.78%0.08439%0.393CS..Hα-helixtrans-60.5-47.8171.6173.761.5000111.2E293 C294 F301 D303 K304 V309 H310 Q311E293-L307 WeakPolarHBondContact O-CD2 3.27Å; C294-L307 HydrophobicContact CB-CD1 3.65Å; F301-L307 HydrophobicContact CB-CB 4.19Å; F301-L307 HydrophobicContact CD2-CB 3.9Å; F301-L307 HydrophobicContact CD2-CD1 3.69Å; F301-L307 HydrophobicContact CD2-CG 4.39Å; F301-L307 HydrophobicContact CE2-CD1 3.9Å; F301-L307 HydrophobicContact CG-CB 4.16Å; D303-L307 PolarHBondContact O-N 2.86Å; K304-L307 PolarHBondContact O-N 3.09Å; L307-V309 VanDerWaalsContact C-N 3.31Å; L307-V309 PolarHBondContact O-N 3.1Å; L307-H310 CarbonylContact O-C 3.53Å; L307-H310 WeakPolarHBondContact O-CA 3.44Å; L307-H310 WeakPolarHBondContact O-CB 3.49Å; L307-H310 PolarHBondContact O-N 2.95Å; L307-Q311 HydrophobicContact CD1-CG 3.95Å; L307-Q311 HydrophobicContact CG-CG 4.35Å; L307-Q311 WeakPolarHBondContact O-CG 3.02Å; L307-Q311 PolarHBondContact O-N 3.5Å
308I75.4Confident71.4Confident82 Ų8280.7 Ų80.742%0.42142%0.418SS..Hα-helixtrans-60.2-41.3177.7-69.5164.3000111.1K304 S305 H310K304-I308 HydrophobicContact CG-CD1 4.06Å; K304-I308 HydrophobicContact CG-CG1 4.5Å; K304-I308 VanDerWaalsContact O-CG1 3.25Å; K304-I308 WeakPolarHBondContact O-CG1 3.32Å; K304-I308 PolarHBondContact O-N 3.39Å; S305-I308 PolarHBondContact O-N 3.14Å; I308-H310 VanDerWaalsContact C-N 3.3Å
309V67.6Low70.8Confident35 Ų3573.3 Ų73.321%0.21240%0.397CS..Hα-helixtrans-66.5-35.3175.6172.20000111.3S305 A306 L307 F330S305-V309 VanDerWaalsContact O-CG2 3.25Å; S305-V309 WeakPolarHBondContact O-CG2 3.37Å; S305-V309 PolarHBondContact O-N 2.88Å; A306-V309 PolarHBondContact O-N 2.76Å; L307-V309 VanDerWaalsContact C-N 3.31Å; L307-V309 PolarHBondContact O-N 3.1Å; V309-F330 HydrophobicContact CG1-CB 3.67Å; V309-F330 HydrophobicContact CG1-CG 4.48Å
310H74Confident70.5Confident17 Ų1772.5 Ų72.58%0.07939%0.391CS..Hα-helixtrans-72.3-38177.7172.771.9000113C297 F301 A306 L307 I308 K312 I313 H314C297-H310 PolarHBondContact SG-NE2 3.02Å; F301-H310 HydrophobicContact CE1-CB 3.77Å; F301-H310 AromaticContact CE1-CG 3.91Å; F301-H310 HydrophobicContact CE2-CB 3.89Å; F301-H310 AromaticContact CE2-CD2 3.37Å; F301-H310 WeakPolarHBondContact CE2-CD2 3.06Å; F301-H310 AromaticContact CE2-CG 3.59Å; F301-H310 HydrophobicContact CZ-CB 3.39Å; F301-H310 AromaticContact CZ-CD2 3.34Å; F301-H310 WeakPolarHBondContact CZ-CD2 3.35Å; F301-H310 AromaticContact CZ-CE1 4Å; F301-H310 AromaticContact CZ-CG 3.08Å; F301-H310 AromaticContact CZ-ND1 3.53Å; F301-H310 AromaticContact CZ-NE2 3.88Å; A306-H310 VanDerWaalsContact O-CB 3.24Å; A306-H310 WeakPolarHBondContact O-CB 3.24Å; A306-H310 PolarHBondContact O-N 3.21Å; L307-H310 CarbonylContact O-C 3.53Å; L307-H310 WeakPolarHBondContact O-CA 3.44Å; L307-H310 WeakPolarHBondContact O-CB 3.49Å; L307-H310 PolarHBondContact O-N 2.95Å; I308-H310 VanDerWaalsContact C-N 3.3Å; H310-K312 PolarHBondContact O-N 3.03Å; H310-I313 WeakPolarHBondContact ND1-CD1 3.28Å; H310-I313 WeakPolarHBondContact O-CB 3.5Å; H310-I313 WeakPolarHBondContact O-CG1 3.45Å; H310-I313 PolarHBondContact O-N 3.02Å; H310-H314 AromaticContact NE2-NE2 3.45Å; H310-H314 PolarHBondContact NE2-NE2 3.47Å
311Q73.3Confident69.8Low62 Ų6274.9 Ų74.929%0.2940%0.398SS..Hα-helixtrans-62.8-25.2178-75.6172.4-46.900112.5L307 I313 H314 G315L307-Q311 HydrophobicContact CD1-CG 3.95Å; L307-Q311 HydrophobicContact CG-CG 4.35Å; L307-Q311 WeakPolarHBondContact O-CG 3.02Å; L307-Q311 PolarHBondContact O-N 3.5Å; Q311-I313 PolarHBondContact O-N 2.84Å; Q311-I313 VanDerWaalsContact O-N 3.16Å; Q311-H314 PolarHBondContact O-N 3.24Å; Q311-H314 VanDerWaalsContact O-N 3.1Å; Q311-G315 PolarHBondContact O-N 3.14Å
312K72.3Confident69.5Low100 Ų10073 Ų7344%0.43539%0.39SS..THydrogen-bonded Turntrans-64.3-13.7171.3-63.3-178.3179.2-163.40114H310H310-K312 PolarHBondContact O-N 3.03Å
313I64.8Low69.4Low83 Ų8377.5 Ų77.543%0.42641%0.414SS..THydrogen-bonded Turntrans-69.4-38.1172.8-60.7-180000110.4H310 Q311 F330H310-I313 WeakPolarHBondContact ND1-CD1 3.28Å; H310-I313 WeakPolarHBondContact O-CB 3.5Å; H310-I313 WeakPolarHBondContact O-CG1 3.45Å; H310-I313 PolarHBondContact O-N 3.02Å; Q311-I313 PolarHBondContact O-N 2.84Å; Q311-I313 VanDerWaalsContact O-N 3.16Å; I313-F330 HydrophobicContact CB-CE1 4.35Å; I313-F330 HydrophobicContact CB-CZ 4.46Å; I313-F330 HydrophobicContact CD1-CE1 4.45Å; I313-F330 HydrophobicContact CD1-CE2 4.23Å; I313-F330 HydrophobicContact CD1-CZ 4.03Å; I313-F330 HydrophobicContact CG1-CD1 4.17Å; I313-F330 HydrophobicContact CG1-CE1 3.47Å; I313-F330 VanDerWaalsContact CG1-CE1 3.47Å; I313-F330 HydrophobicContact CG1-CE2 4.09Å; I313-F330 HydrophobicContact CG1-CZ 3.45Å; I313-F330 VanDerWaalsContact CG1-CZ 3.45Å
314H69.3Low69Low69 Ų6981 Ų8132%0.31943%0.43SS..THydrogen-bonded Turntrans-87.4-34.2-174.4-50.6-58.3000112.7C294 E296 C297 H310 Q311 G316C294-H314 PolarHBondContact SG-NE2 3.29Å; C294-H314 VanDerWaalsContact SG-NE2 3.39Å; E296-H314 WeakPolarHBondContact OE2-CB 3.48Å; E296-H314 IonicContact OE2-CD2 3.77Å; E296-H314 IonicContact OE2-CG 2.73Å; C297-H314 PolarHBondContact SG-NE2 2.95Å; H310-H314 AromaticContact NE2-NE2 3.45Å; H310-H314 PolarHBondContact NE2-NE2 3.47Å; Q311-H314 PolarHBondContact O-N 3.24Å; Q311-H314 VanDerWaalsContact O-N 3.1Å; H314-G316 VanDerWaalsContact C-N 3.34Å; H314-G316 PolarHBondContact O-N 3.26Å
315G64.6Low68.6Low54 Ų5477.2 Ų77.256%0.55742%0.419SS*.SBendtrans-79.9-2.3-177.100000116.3Q311 E317Q311-G315 PolarHBondContact O-N 3.14Å; G315-E317 PolarHBondContact O-N 2.79Å
316G58.3Low68Low67 Ų6775.4 Ų75.469%0.69141%0.413SS*.  trans60.9-5.7-178.900000116.3H314 K318H314-G316 VanDerWaalsContact C-N 3.34Å; H314-G316 PolarHBondContact O-N 3.26Å; G316-K318 PolarHBondContact O-N 2.72Å
317E57.6Low67.6Low158 Ų15880 Ų8074%0.73843%0.428SS*.  trans-80.9112-176.2-80.6-167.5145.300112.9G315G315-E317 PolarHBondContact O-N 2.79Å
318K53Low66.6Low194 Ų19482.8 Ų82.884%0.84345%0.446SS*.  trans46.167.6164.8-73179180170.30114.8G316G316-K318 PolarHBondContact O-N 2.72Å
319S65.8Low66.4Low43 Ų4380.9 Ų80.930%0.30143%0.434SS..  trans-65.8145142.352.50000110.6E321 T328 F329S319-E321 PolarHBondContact O-N 3.07Å; S319-T328 WeakPolarHBondContact OG-CB 3.49Å; S319-T328 WeakPolarHBondContact OG-CG2 3.27Å; S319-F329 CarbonylContact C-O 3.37Å
320Y68.9Low66.1Low108 Ų10883 Ų8342%0.42444%0.44SS..EExtended strand (participates in β ladder)trans-76.3105.5169.3-62.3-83.9000108.1F329 R331 K332Y320-F329 PolarHBondContact N-O 3.11Å; Y320-F329 PolarHBondContact O-N 3.47Å; Y320-R331 VanDerWaalsContact CD2-C 3.42Å; Y320-K332 HydrophobicContact CD1-CB 4.09Å; Y320-K332 HydrophobicContact CD1-CG 4.24Å; Y320-K332 HydrophobicContact CD2-CB 4.33Å; Y320-K332 VanDerWaalsContact CD2-N 3.27Å; Y320-K332 HydrophobicContact CE1-CB 3.76Å; Y320-K332 HydrophobicContact CE1-CD 4.29Å; Y320-K332 HydrophobicContact CE1-CG 4.07Å; Y320-K332 HydrophobicContact CE2-CB 4.01Å; Y320-K332 HydrophobicContact CG-CB 4.36Å
321E62.8Low65.7Low108 Ų10888.8 Ų88.851%0.50546%0.462SS..EExtended strand (participates in β ladder)trans-84.6142.1179.2-173.1176.8170.800111.4S319 K327 T328 L335S319-E321 PolarHBondContact O-N 3.07Å; E321-K327 CarbonylContact C-O 3.57Å; E321-K327 WeakPolarHBondContact CA-O 3.35Å; E321-T328 HydrophobicContact CB-CG2 4.43Å; E321-T328 HydrophobicContact CG-CG2 4.4Å; E321-L335 WeakPolarHBondContact O-CD2 3.46Å
322C72.9Confident65.6Low0 Ų091.3 Ų91.30%047%0.472CS..  trans-84.8111.7170.1-176.80000110.4E324 C325 G326 K327 F329 L335 F339 H342C322-E324 PolarHBondContact O-N 3.04Å; C322-C325 PolarHBondContact O-N 3.3Å; C322-C325 VanDerWaalsContact O-N 3.15Å; C322-G326 WeakPolarHBondContact O-CA 3.24Å; C322-G326 PolarHBondContact O-N 2.78Å; C322-K327 PolarHBondContact N-O 3.36Å; C322-F329 HydrophobicContact CB-CE2 4.4Å; C322-L335 HydrophobicContact CB-CD1 3.65Å; C322-F339 HydrophobicContact CB-CZ 4.49Å; C322-F339 VanDerWaalsContact SG-CE1 3.54Å; C322-H342 PolarHBondContact SG-CD2 3.35Å; C322-H342 PolarHBondContact SG-NE2 2.85Å
323N71.6Confident65.6Low146 Ų14690.5 Ų90.578%0.78148%0.479SS*.THydrogen-bonded Turntrans-57.1-25.7-178.9-61.5-3.4000113.7
324E69.4Low65.9Low122 Ų12288 Ų8857%0.5747%0.471SS*.THydrogen-bonded Turntrans-86.4-22-178.5-65.2-172.6-147.600114.9C322 H342C322-E324 PolarHBondContact O-N 3.04Å; E324-H342 WeakPolarHBondContact OE2-CB 3.45Å; E324-H342 IonicContact OE2-CD2 3.33Å; E324-H342 IonicContact OE2-CG 3.31Å
325C69.3Low66.3Low51 Ų5185.5 Ų85.535%0.34546%0.459SS..THydrogen-bonded Turntrans-143.69.5-174.380.70000114.9C322 K327 H338 H342C322-C325 PolarHBondContact O-N 3.3Å; C322-C325 VanDerWaalsContact O-N 3.15Å; C325-K327 PolarHBondContact O-N 3.1Å; C325-K327 VanDerWaalsContact SG-CG 3.59Å; C325-H338 PolarHBondContact SG-NE2 3.02Å; C325-H342 PolarHBondContact SG-NE2 3.42Å; C325-H342 VanDerWaalsContact SG-NE2 3.45Å
326G62.7Low66.8Low41 Ų4185.2 Ų85.242%0.42345%0.452SS..  trans63.98.1177.300000115.5C322C322-G326 WeakPolarHBondContact O-CA 3.24Å; C322-G326 PolarHBondContact O-N 2.78Å
327K65.6Low67.6Low124 Ų12485.9 Ų85.954%0.53944%0.437SS..  trans-75.1132.6-178.6-76.9179-175.3168.20110.5E321 C322 C325 F329E321-K327 CarbonylContact C-O 3.57Å; E321-K327 WeakPolarHBondContact CA-O 3.35Å; C322-K327 PolarHBondContact N-O 3.36Å; C325-K327 PolarHBondContact O-N 3.1Å; C325-K327 VanDerWaalsContact SG-CG 3.59Å; K327-F329 HydrophobicContact CB-CE2 3.67Å; K327-F329 HydrophobicContact CB-CZ 4.06Å; K327-F329 WeakPolarHBondContact O-CD2 3.37Å; K327-F329 WeakPolarHBondContact O-CE2 3.47Å
328T60.2Low68.5Low75 Ų7579.6 Ų79.646%0.4641%0.408SS..EExtended strand (participates in β ladder)trans-99.6134.7-177.254.30000111.9S319 E321S319-T328 WeakPolarHBondContact OG-CB 3.49Å; S319-T328 WeakPolarHBondContact OG-CG2 3.27Å; E321-T328 HydrophobicContact CB-CG2 4.43Å; E321-T328 HydrophobicContact CG-CG2 4.4Å
329F70.1Confident69.3Low42 Ų4273 Ų7318%0.18438%0.379CS..EExtended strand (participates in β ladder)trans-126.2140.6-178.9-62.6-93.4000111.2S319 Y320 C322 K327 R331 A334 L335 H338S319-F329 CarbonylContact C-O 3.37Å; Y320-F329 PolarHBondContact N-O 3.11Å; Y320-F329 PolarHBondContact O-N 3.47Å; C322-F329 HydrophobicContact CB-CE2 4.4Å; K327-F329 HydrophobicContact CB-CE2 3.67Å; K327-F329 HydrophobicContact CB-CZ 4.06Å; K327-F329 WeakPolarHBondContact O-CD2 3.37Å; K327-F329 WeakPolarHBondContact O-CE2 3.47Å; F329-R331 VanDerWaalsContact C-N 3.31Å; F329-R331 PolarHBondContact O-N 3.13Å; F329-A334 HydrophobicContact CB-CB 4.37Å; F329-A334 HydrophobicContact CD1-CB 4.01Å; F329-L335 HydrophobicContact CB-CB 4.06Å; F329-L335 HydrophobicContact CD2-CB 4.05Å; F329-L335 HydrophobicContact CD2-CD1 3.59Å; F329-L335 HydrophobicContact CD2-CG 4.41Å; F329-L335 HydrophobicContact CE2-CD1 3.89Å; F329-L335 HydrophobicContact CG-CB 4.15Å; F329-L335 HydrophobicContact CG-CD1 4.5Å; F329-H338 HydrophobicContact CE1-CB 3.73Å; F329-H338 HydrophobicContact CE2-CB 3.83Å; F329-H338 AromaticContact CE2-CD2 3.16Å; F329-H338 WeakPolarHBondContact CE2-CD2 3.47Å; F329-H338 AromaticContact CE2-CG 3.55Å; F329-H338 AromaticContact CE2-NE2 3.88Å; F329-H338 HydrophobicContact CZ-CB 3.32Å; F329-H338 AromaticContact CZ-CD2 3.27Å; F329-H338 WeakPolarHBondContact CZ-CD2 3.25Å; F329-H338 AromaticContact CZ-CG 3.13Å; F329-H338 AromaticContact CZ-ND1 3.81Å; F329-H338 AromaticContact CZ-NE2 3.92Å
330F61.6Low70Confident78 Ų7873.8 Ų73.834%0.34238%0.376SS..SBendtrans-84.6-3.4-178.7-52.5-73.8000114.1V309 I313V309-F330 HydrophobicContact CG1-CB 3.67Å; V309-F330 HydrophobicContact CG1-CG 4.48Å; I313-F330 HydrophobicContact CB-CE1 4.35Å; I313-F330 HydrophobicContact CB-CZ 4.46Å; I313-F330 HydrophobicContact CD1-CE1 4.45Å; I313-F330 HydrophobicContact CD1-CE2 4.23Å; I313-F330 HydrophobicContact CD1-CZ 4.03Å; I313-F330 HydrophobicContact CG1-CD1 4.17Å; I313-F330 HydrophobicContact CG1-CE1 3.47Å; I313-F330 VanDerWaalsContact CG1-CE1 3.47Å; I313-F330 HydrophobicContact CG1-CE2 4.09Å; I313-F330 HydrophobicContact CG1-CZ 3.45Å; I313-F330 VanDerWaalsContact CG1-CZ 3.45Å
331R66.2Low70.1Confident140 Ų14072.5 Ų72.553%0.52838%0.382SS..SBendtrans-138.6136.5177.6-60.5-174.2-174.199.71.8110.6Y320 F329 S333 A334 L335Y320-R331 VanDerWaalsContact CD2-C 3.42Å; F329-R331 VanDerWaalsContact C-N 3.31Å; F329-R331 PolarHBondContact O-N 3.13Å; R331-S333 PolarHBondContact O-N 3.45Å; R331-A334 HydrophobicContact CB-CB 4.17Å; R331-A334 WeakPolarHBondContact O-CB 3.33Å; R331-A334 PolarHBondContact O-N 3.28Å; R331-L335 PolarHBondContact O-N 3.03Å; R331-L335 VanDerWaalsContact O-N 3.1Å
332K69.9Low70.6Confident114 Ų11470.4 Ų70.450%0.49637%0.372SS..Hα-helixtrans-57.3-37.9175.8-168175-179.9177.20112.4Y320 A334 L335 A336Y320-K332 HydrophobicContact CD1-CB 4.09Å; Y320-K332 HydrophobicContact CD1-CG 4.24Å; Y320-K332 HydrophobicContact CD2-CB 4.33Å; Y320-K332 VanDerWaalsContact CD2-N 3.27Å; Y320-K332 HydrophobicContact CE1-CB 3.76Å; Y320-K332 HydrophobicContact CE1-CD 4.29Å; Y320-K332 HydrophobicContact CE1-CG 4.07Å; Y320-K332 HydrophobicContact CE2-CB 4.01Å; Y320-K332 HydrophobicContact CG-CB 4.36Å; K332-A334 VanDerWaalsContact C-N 3.29Å; K332-A334 PolarHBondContact O-N 2.76Å; K332-L335 PolarHBondContact O-N 3.31Å; K332-A336 WeakPolarHBondContact O-CB 3.26Å; K332-A336 PolarHBondContact O-N 3.17Å
333S72.8Confident70.6Confident83 Ų8374 Ų7458%0.5839%0.394SS*.Hα-helixtrans-64.7-32.5176.462.60000113.1R331 E337R331-S333 PolarHBondContact O-N 3.45Å; S333-E337 WeakPolarHBondContact O-CB 3.45Å; S333-E337 PolarHBondContact O-N 3.49Å
334A72.1Confident70.6Confident31 Ų3169.3 Ų69.326%0.25638%0.381SS..Hα-helixtrans-75.8-37.5177.500000111.2F329 R331 K332 E337 H338F329-A334 HydrophobicContact CB-CB 4.37Å; F329-A334 HydrophobicContact CD1-CB 4.01Å; R331-A334 HydrophobicContact CB-CB 4.17Å; R331-A334 WeakPolarHBondContact O-CB 3.33Å; R331-A334 PolarHBondContact O-N 3.28Å; K332-A334 VanDerWaalsContact C-N 3.29Å; K332-A334 PolarHBondContact O-N 2.76Å; A334-E337 PolarHBondContact O-N 3.38Å; A334-H338 WeakPolarHBondContact O-CB 3.4Å; A334-H338 PolarHBondContact O-N 2.94Å
335L76.1Confident70.8Confident16 Ų1667.6 Ų67.68%0.08437%0.373CS..Hα-helixtrans-63.7-46170.617761000111.2E321 C322 F329 R331 K332 E337 H338 F339E321-L335 WeakPolarHBondContact O-CD2 3.46Å; C322-L335 HydrophobicContact CB-CD1 3.65Å; F329-L335 HydrophobicContact CB-CB 4.06Å; F329-L335 HydrophobicContact CD2-CB 4.05Å; F329-L335 HydrophobicContact CD2-CD1 3.59Å; F329-L335 HydrophobicContact CD2-CG 4.41Å; F329-L335 HydrophobicContact CE2-CD1 3.89Å; F329-L335 HydrophobicContact CG-CB 4.15Å; F329-L335 HydrophobicContact CG-CD1 4.5Å; R331-L335 PolarHBondContact O-N 3.03Å; R331-L335 VanDerWaalsContact O-N 3.1Å; K332-L335 PolarHBondContact O-N 3.31Å; L335-E337 VanDerWaalsContact C-N 3.3Å; L335-E337 PolarHBondContact O-N 3.11Å; L335-H338 CarbonylContact O-C 3.55Å; L335-H338 WeakPolarHBondContact O-CA 3.17Å; L335-H338 WeakPolarHBondContact O-CB 3.3Å; L335-H338 PolarHBondContact O-N 3.2Å; L335-F339 HydrophobicContact CD1-CD2 3.73Å; L335-F339 HydrophobicContact CD1-CE2 3.46Å; L335-F339 VanDerWaalsContact CD1-CE2 3.46Å; L335-F339 HydrophobicContact CD1-CZ 4.09Å; L335-F339 HydrophobicContact CD2-CD2 4.3Å; L335-F339 HydrophobicContact CD2-CE2 3.58Å; L335-F339 HydrophobicContact CD2-CZ 4.41Å; L335-F339 HydrophobicContact CG-CD2 3.6Å; L335-F339 HydrophobicContact CG-CE2 3.36Å; L335-F339 HydrophobicContact CG-CZ 4.38Å; L335-F339 WeakPolarHBondContact O-CD2 3.41Å; L335-F339 PolarHBondContact O-N 3.16Å
336A75.8Confident71.3Confident49 Ų4971.2 Ų71.241%0.40538%0.383SS..Hα-helixtrans-61.6-37.1177.300000112.6K332K332-A336 WeakPolarHBondContact O-CB 3.26Å; K332-A336 PolarHBondContact O-N 3.17Å
337E75.1Confident72.1Confident80 Ų8072.6 Ų72.637%0.37438%0.384SS..Hα-helixtrans-68.1-36.1172.7-173.8-176.3130.800112.3S333 A334 L335 K359S333-E337 WeakPolarHBondContact O-CB 3.45Å; S333-E337 PolarHBondContact O-N 3.49Å; A334-E337 PolarHBondContact O-N 3.38Å; L335-E337 VanDerWaalsContact C-N 3.3Å; L335-E337 PolarHBondContact O-N 3.11Å; E337-K359 HydrophobicContact CG-CD 4.44Å; E337-K359 HydrophobicContact CG-CG 4.41Å; E337-K359 VanDerWaalsContact OE1-CD 3.29Å; E337-K359 WeakPolarHBondContact OE1-CD 3.4Å; E337-K359 WeakPolarHBondContact OE1-CE 3.38Å; E337-K359 IonicContact OE1-NZ 2.96Å; E337-K359 PolarHBondContact OE1-NZ 3.13Å
338H76.3Confident72.9Confident26 Ų2670.2 Ų70.212%0.1237%0.372CS..Hα-helixtrans-69.5-40.1175.2170.956000112.6C325 F329 A334 L335 R340 S341 H342C325-H338 PolarHBondContact SG-NE2 3.02Å; F329-H338 HydrophobicContact CE1-CB 3.73Å; F329-H338 HydrophobicContact CE2-CB 3.83Å; F329-H338 AromaticContact CE2-CD2 3.16Å; F329-H338 WeakPolarHBondContact CE2-CD2 3.47Å; F329-H338 AromaticContact CE2-CG 3.55Å; F329-H338 AromaticContact CE2-NE2 3.88Å; F329-H338 HydrophobicContact CZ-CB 3.32Å; F329-H338 AromaticContact CZ-CD2 3.27Å; F329-H338 WeakPolarHBondContact CZ-CD2 3.25Å; F329-H338 AromaticContact CZ-CG 3.13Å; F329-H338 AromaticContact CZ-ND1 3.81Å; F329-H338 AromaticContact CZ-NE2 3.92Å; A334-H338 WeakPolarHBondContact O-CB 3.4Å; A334-H338 PolarHBondContact O-N 2.94Å; L335-H338 CarbonylContact O-C 3.55Å; L335-H338 WeakPolarHBondContact O-CA 3.17Å; L335-H338 WeakPolarHBondContact O-CB 3.3Å; L335-H338 PolarHBondContact O-N 3.2Å; H338-R340 PolarHBondContact O-N 3.3Å; H338-R340 VanDerWaalsContact O-N 3.09Å; H338-S341 PolarHBondContact ND1-OG 3.43Å; H338-S341 WeakPolarHBondContact O-CB 3.34Å; H338-S341 PolarHBondContact O-N 3.23Å; H338-S341 PolarHBondContact O-OG 3.14Å; H338-H342 AromaticContact CE1-CE1 3.93Å; H338-H342 AromaticContact CE1-NE2 3.54Å; H338-H342 AromaticContact NE2-CE1 4Å; H338-H342 AromaticContact NE2-NE2 3.23Å; H338-H342 PolarHBondContact NE2-NE2 3.33Å
339F69.9Low73.9Confident56 Ų5672.5 Ų72.525%0.24638%0.378CS..Hα-helixtrans-55.8-30177.6-89.4-64.7000112.9C322 L335 S341 H342 T343C322-F339 HydrophobicContact CB-CZ 4.49Å; C322-F339 VanDerWaalsContact SG-CE1 3.54Å; L335-F339 HydrophobicContact CD1-CD2 3.73Å; L335-F339 HydrophobicContact CD1-CE2 3.46Å; L335-F339 VanDerWaalsContact CD1-CE2 3.46Å; L335-F339 HydrophobicContact CD1-CZ 4.09Å; L335-F339 HydrophobicContact CD2-CD2 4.3Å; L335-F339 HydrophobicContact CD2-CE2 3.58Å; L335-F339 HydrophobicContact CD2-CZ 4.41Å; L335-F339 HydrophobicContact CG-CD2 3.6Å; L335-F339 HydrophobicContact CG-CE2 3.36Å; L335-F339 HydrophobicContact CG-CZ 4.38Å; L335-F339 WeakPolarHBondContact O-CD2 3.41Å; L335-F339 PolarHBondContact O-N 3.16Å; F339-S341 PolarHBondContact O-N 3.42Å; F339-S341 VanDerWaalsContact O-N 3.16Å; F339-H342 WeakPolarHBondContact O-CB 3.46Å; F339-H342 PolarHBondContact O-N 3.36Å; F339-T343 PolarHBondContact O-N 2.75Å; F339-T343 PolarHBondContact O-OG1 2.89Å
340R80.4Confident74.5Confident60 Ų6070.5 Ų70.523%0.22637%0.369CS..Hα-helixtrans-61.8-20.1172.8-60.5-177.1-171.3138.310.8114.2H338 H342 G344 E345 S358H338-R340 PolarHBondContact O-N 3.3Å; H338-R340 VanDerWaalsContact O-N 3.09Å; R340-H342 VanDerWaalsContact C-N 3.25Å; R340-G344 WeakPolarHBondContact O-CA 3.4Å; R340-G344 PolarHBondContact O-N 3.01Å; R340-G344 VanDerWaalsContact O-N 3.1Å; R340-E345 HydrophobicContact CB-CB 4.45Å; R340-E345 HydrophobicContact CG-CB 4.25Å; R340-S358 PolarHBondContact NH1-O 2.74Å
341S71.4Confident75.4Confident81 Ų8176 Ų7657%0.56639%0.393SS*.Hα-helixtrans-73.4-2217370.20000112.8H338 F339H338-S341 PolarHBondContact ND1-OG 3.43Å; H338-S341 WeakPolarHBondContact O-CB 3.34Å; H338-S341 PolarHBondContact O-N 3.23Å; H338-S341 PolarHBondContact O-OG 3.14Å; F339-S341 PolarHBondContact O-N 3.42Å; F339-S341 VanDerWaalsContact O-N 3.16Å
342H72.4Confident75.8Confident63 Ų6374.9 Ų74.929%0.29239%0.393SS..Hα-helixtrans-92.4-48.1177.2-58.5-46.6000111.6C322 E324 C325 H338 F339 R340 G344C322-H342 PolarHBondContact SG-CD2 3.35Å; C322-H342 PolarHBondContact SG-NE2 2.85Å; E324-H342 WeakPolarHBondContact OE2-CB 3.45Å; E324-H342 IonicContact OE2-CD2 3.33Å; E324-H342 IonicContact OE2-CG 3.31Å; C325-H342 PolarHBondContact SG-NE2 3.42Å; C325-H342 VanDerWaalsContact SG-NE2 3.45Å; H338-H342 AromaticContact CE1-CE1 3.93Å; H338-H342 AromaticContact CE1-NE2 3.54Å; H338-H342 AromaticContact NE2-CE1 4Å; H338-H342 AromaticContact NE2-NE2 3.23Å; H338-H342 PolarHBondContact NE2-NE2 3.33Å; F339-H342 WeakPolarHBondContact O-CB 3.46Å; F339-H342 PolarHBondContact O-N 3.36Å; R340-H342 VanDerWaalsContact C-N 3.25Å; H342-G344 PolarHBondContact O-N 2.82Å
343T73Confident75.9Confident76 Ų7672 Ų7247%0.46639%0.387SS..Hα-helixtrans-72.6-13.5178.764.20000113.3F339 E345F339-T343 PolarHBondContact O-N 2.75Å; F339-T343 PolarHBondContact O-OG1 2.89Å; T343-E345 PolarHBondContact O-N 2.81Å; T343-E345 VanDerWaalsContact O-N 3.15Å; T343-E345 WeakPolarHBondContact OG1-CG 3.25Å
344G72.3Confident76.1Confident48 Ų4870 Ų7050%0.49538%0.379SS..  trans70.63.3-17700000114.2R340 H342 K346R340-G344 WeakPolarHBondContact O-CA 3.4Å; R340-G344 PolarHBondContact O-N 3.01Å; R340-G344 VanDerWaalsContact O-N 3.1Å; H342-G344 PolarHBondContact O-N 2.82Å; G344-K346 PolarHBondContact O-N 3.24Å
345E73.9Confident76.2Confident86 Ų8672.5 Ų72.540%0.40239%0.389SS..  trans-56.8128.2-178.7-79.1176.6-157.600112.1R340 T343 P347R340-E345 HydrophobicContact CB-CB 4.45Å; R340-E345 HydrophobicContact CG-CB 4.25Å; T343-E345 PolarHBondContact O-N 2.81Å; T343-E345 VanDerWaalsContact O-N 3.15Å; T343-E345 WeakPolarHBondContact OG1-CG 3.25Å; E345-P347 WeakPolarHBondContact O-CD 3.48Å
346K79.9Confident76.4Confident127 Ų12773.4 Ų73.455%0.55240%0.398SS*.  trans-126.275.8177.8-73.7163.5173.4-177.80110.2G344 Y348 A356 F357G344-K346 PolarHBondContact O-N 3.24Å; K346-Y348 PolarHBondContact O-N 3.4Å; K346-A356 HydrophobicContact CB-CB 3.5Å; K346-A356 HydrophobicContact CD-CB 4.17Å; K346-A356 WeakPolarHBondContact CD-O 3.42Å; K346-A356 HydrophobicContact CG-CB 4.44Å; K346-F357 CarbonylContact C-O 3.23Å; K346-F357 VanDerWaalsContact C-O 3.26Å; K346-F357 WeakPolarHBondContact CA-O 3.4Å
347P78.9Confident76.6Confident70 Ų7073.2 Ų73.246%0.45539%0.388SS..  trans-67.3-8.1-170.7-21.234.1000115.1E345E345-P347 WeakPolarHBondContact O-CD 3.48Å
348Y83.6Confident76.6Confident74 Ų7471.2 Ų71.229%0.2938%0.384SS..EExtended strand (participates in β ladder)trans-112.993.4-173.1-56.3-77.1000110.4K346 A356 F357 K360K346-Y348 PolarHBondContact O-N 3.4Å; Y348-A356 CarbonylContact O-C 3.53Å; Y348-F357 WeakPolarHBondContact CB-O 3.42Å; Y348-F357 WeakPolarHBondContact CD2-O 3.45Å; Y348-F357 PolarHBondContact N-O 3.32Å; Y348-F357 VanDerWaalsContact N-O 3.11Å; Y348-F357 PolarHBondContact O-N 3.09Å; Y348-K360 HydrophobicContact CD1-CB 3.77Å; Y348-K360 HydrophobicContact CD1-CG 4.13Å; Y348-K360 VanDerWaalsContact CD2-N 3.29Å; Y348-K360 HydrophobicContact CE1-CB 3.6Å; Y348-K360 HydrophobicContact CE1-CD 4.31Å; Y348-K360 HydrophobicContact CE1-CG 4.15Å; Y348-K360 HydrophobicContact CE2-CB 4.39Å; Y348-K360 HydrophobicContact CG-CB 4.22Å
349E80.6Confident76.6Confident123 Ų12372.8 Ų72.858%0.57539%0.39SS*.EExtended strand (participates in β ladder)trans-91.8140.4-179.4-165-179.2162.300113.1G354E349-G354 WeakPolarHBondContact OE1-CA 3.44Å
350C83.1Confident76.9Confident0 Ų075.5 Ų75.50%040%0.402CS..  trans-83.2111.3171.4-173.80000110.6E352 C353 G354 N355 F357 L363 H370C350-E352 PolarHBondContact O-N 3.34Å; C350-E352 VanDerWaalsContact O-N 3.1Å; C350-C353 PolarHBondContact O-N 3.4Å; C350-G354 WeakPolarHBondContact O-CA 3.35Å; C350-G354 PolarHBondContact O-N 3.4Å; C350-N355 HydrophobicContact CB-CB 4.44Å; C350-N355 WeakPolarHBondContact CB-O 3.29Å; C350-N355 PolarHBondContact N-O 3.12Å; C350-F357 HydrophobicContact CB-CE2 4.44Å; C350-L363 HydrophobicContact CB-CD1 3.61Å; C350-H370 PolarHBondContact SG-NE2 3.36Å
351K79.3Confident76.6Confident194 Ų19475.9 Ų75.984%0.84341%0.413SS*.THydrogen-bonded Turntrans-57.9-24.5178.2-61.5-170.1176.1-167.80114.7
352E74.9Confident76.8Confident115 Ų11577.6 Ų77.654%0.53741%0.408SS..THydrogen-bonded Turntrans-86.2-22.9-176.1-68.5171.6-172.900113C350 H370C350-E352 PolarHBondContact O-N 3.34Å; C350-E352 VanDerWaalsContact O-N 3.1Å; E352-H370 WeakPolarHBondContact OE2-CB 3.34Å; E352-H370 IonicContact OE2-CD2 3.05Å; E352-H370 PolarHBondContact OE2-CD2 2.9Å; E352-H370 IonicContact OE2-CG 3.96Å; E352-H370 IonicContact OE2-NE2 3.07Å
353C72.8Confident77Confident53 Ų5375.5 Ų75.536%0.35840%0.399SS..THydrogen-bonded Turntrans-144.99.8-175.774.50000114.9C350 N355 H366 H370C350-C353 PolarHBondContact O-N 3.4Å; C353-N355 PolarHBondContact O-N 3.39Å; C353-N355 PolarHBondContact SG-ND2 2.97Å; C353-H366 PolarHBondContact SG-NE2 3.05Å; C353-H370 PolarHBondContact SG-NE2 3.02Å; C353-H370 VanDerWaalsContact SG-NE2 3.41Å
354G76.9Confident77.2Confident41 Ų4174.8 Ų74.842%0.42340%0.395SS..  trans663.1179.900000115.5E349 C350 A356E349-G354 WeakPolarHBondContact OE1-CA 3.44Å; C350-G354 WeakPolarHBondContact O-CA 3.35Å; C350-G354 PolarHBondContact O-N 3.4Å; G354-A356 PolarHBondContact O-N 3.4Å
355N74.4Confident77Confident84 Ų8474.8 Ų74.845%0.44939%0.385SS..  trans-72.4123.4-177.2-79.6-43.9000110.6C350 C353 F357C350-N355 HydrophobicContact CB-CB 4.44Å; C350-N355 WeakPolarHBondContact CB-O 3.29Å; C350-N355 PolarHBondContact N-O 3.12Å; C353-N355 PolarHBondContact O-N 3.39Å; C353-N355 PolarHBondContact SG-ND2 2.97Å; N355-F357 HydrophobicContact CB-CE2 3.85Å; N355-F357 HydrophobicContact CB-CZ 4Å; N355-F357 WeakPolarHBondContact O-CD2 3.21Å; N355-F357 VanDerWaalsContact O-CE2 3.23Å; N355-F357 WeakPolarHBondContact O-CE2 3.43Å
356A79.6Confident77Confident35 Ų3572.1 Ų72.129%0.28937%0.373SS..EExtended strand (participates in β ladder)trans-99140.2-179.300000112.7K346 Y348 G354K346-A356 HydrophobicContact CB-CB 3.5Å; K346-A356 HydrophobicContact CD-CB 4.17Å; K346-A356 WeakPolarHBondContact CD-O 3.42Å; K346-A356 HydrophobicContact CG-CB 4.44Å; Y348-A356 CarbonylContact O-C 3.53Å; G354-A356 PolarHBondContact O-N 3.4Å
357F80.4Confident76.7Confident45 Ų4569.4 Ų69.420%0.19736%0.362CS..EExtended strand (participates in β ladder)trans-125.9148.2-177.3-59.4-88.6000111.7K346 Y348 C350 N355 K359 L363 H366K346-F357 CarbonylContact C-O 3.23Å; K346-F357 VanDerWaalsContact C-O 3.26Å; K346-F357 WeakPolarHBondContact CA-O 3.4Å; Y348-F357 WeakPolarHBondContact CB-O 3.42Å; Y348-F357 WeakPolarHBondContact CD2-O 3.45Å; Y348-F357 PolarHBondContact N-O 3.32Å; Y348-F357 VanDerWaalsContact N-O 3.11Å; Y348-F357 PolarHBondContact O-N 3.09Å; C350-F357 HydrophobicContact CB-CE2 4.44Å; N355-F357 HydrophobicContact CB-CE2 3.85Å; N355-F357 HydrophobicContact CB-CZ 4Å; N355-F357 WeakPolarHBondContact O-CD2 3.21Å; N355-F357 VanDerWaalsContact O-CE2 3.23Å; N355-F357 WeakPolarHBondContact O-CE2 3.43Å; F357-K359 VanDerWaalsContact C-N 3.33Å; F357-L363 HydrophobicContact CB-CB 4.38Å; F357-L363 HydrophobicContact CD2-CB 3.91Å; F357-L363 HydrophobicContact CD2-CD1 3.82Å; F357-L363 HydrophobicContact CD2-CG 4.48Å; F357-L363 HydrophobicContact CE2-CD1 4Å; F357-L363 HydrophobicContact CG-CB 4.34Å; F357-H366 HydrophobicContact CE1-CB 4.01Å; F357-H366 HydrophobicContact CE2-CB 3.79Å; F357-H366 AromaticContact CE2-CD2 3.37Å; F357-H366 WeakPolarHBondContact CE2-CD2 3.37Å; F357-H366 AromaticContact CE2-CG 3.57Å; F357-H366 HydrophobicContact CZ-CB 3.42Å; F357-H366 VanDerWaalsContact CZ-CB 3.42Å; F357-H366 AromaticContact CZ-CD2 3.47Å; F357-H366 VanDerWaalsContact CZ-CD2 3.47Å; F357-H366 WeakPolarHBondContact CZ-CD2 3.42Å; F357-H366 AromaticContact CZ-CG 3.2Å; F357-H366 AromaticContact CZ-ND1 3.63Å; F357-H366 AromaticContact CZ-NE2 3.98Å
358S75.4Confident76.6Confident39 Ų3969.4 Ų69.427%0.27335%0.353SS..SBendtrans-78.2-16.6177.9570000113.9R340R340-S358 PolarHBondContact NH1-O 2.74Å
359K76.3Confident75.7Confident58 Ų5869 Ų6925%0.25236%0.358SS..SBendtrans-133.4138.5177.9-51.4-172.8-158.3-168.20111.4E337 F357 S361 Y362 L363E337-K359 HydrophobicContact CG-CD 4.44Å; E337-K359 HydrophobicContact CG-CG 4.41Å; E337-K359 VanDerWaalsContact OE1-CD 3.29Å; E337-K359 WeakPolarHBondContact OE1-CD 3.4Å; E337-K359 WeakPolarHBondContact OE1-CE 3.38Å; E337-K359 IonicContact OE1-NZ 2.96Å; E337-K359 PolarHBondContact OE1-NZ 3.13Å; F357-K359 VanDerWaalsContact C-N 3.33Å; K359-S361 PolarHBondContact O-N 3.3Å; K359-Y362 HydrophobicContact CB-CD2 3.87Å; K359-Y362 HydrophobicContact CB-CE2 4.23Å; K359-Y362 HydrophobicContact CB-CG 4.18Å; K359-Y362 HydrophobicContact CD-CD2 4.19Å; K359-Y362 HydrophobicContact CD-CE1 4.49Å; K359-Y362 HydrophobicContact CD-CE2 3.67Å; K359-Y362 HydrophobicContact CG-CD2 4.02Å; K359-Y362 HydrophobicContact CG-CE2 3.93Å; K359-Y362 PolarHBondContact O-N 3.17Å; K359-L363 PolarHBondContact O-N 3.26Å
360K74.8Confident75.2Confident113 Ų11366.9 Ų66.949%0.49135%0.348SS..Hα-helixtrans-56.6-37174.4-168.5172.2-179.1172.20112.9Y348 Y362 L363 V364Y348-K360 HydrophobicContact CD1-CB 3.77Å; Y348-K360 HydrophobicContact CD1-CG 4.13Å; Y348-K360 VanDerWaalsContact CD2-N 3.29Å; Y348-K360 HydrophobicContact CE1-CB 3.6Å; Y348-K360 HydrophobicContact CE1-CD 4.31Å; Y348-K360 HydrophobicContact CE1-CG 4.15Å; Y348-K360 HydrophobicContact CE2-CB 4.39Å; Y348-K360 HydrophobicContact CG-CB 4.22Å; K360-Y362 VanDerWaalsContact C-N 3.25Å; K360-Y362 PolarHBondContact O-N 2.78Å; K360-L363 PolarHBondContact O-N 3.5Å; K360-V364 WeakPolarHBondContact O-CG2 3.34Å; K360-V364 PolarHBondContact O-N 2.92Å
361S74.6Confident74.5Confident68 Ų6875.1 Ų75.148%0.47638%0.379SS..Hα-helixtrans-60.9-34.6177.854.90000112.7K359 V365K359-S361 PolarHBondContact O-N 3.3Å; S361-V365 WeakPolarHBondContact O-CG2 3.46Å; S361-V365 PolarHBondContact O-N 3.5Å; S361-V365 VanDerWaalsContact O-N 3.15Å
362Y75.4Confident73.8Confident117 Ų11768.2 Ų68.246%0.45936%0.363SS..Hα-helixtrans-74.7-39.4178-61.7-23.4000111.4K359 K360 V364 V365 H366K359-Y362 HydrophobicContact CB-CD2 3.87Å; K359-Y362 HydrophobicContact CB-CE2 4.23Å; K359-Y362 HydrophobicContact CB-CG 4.18Å; K359-Y362 HydrophobicContact CD-CD2 4.19Å; K359-Y362 HydrophobicContact CD-CE1 4.49Å; K359-Y362 HydrophobicContact CD-CE2 3.67Å; K359-Y362 HydrophobicContact CG-CD2 4.02Å; K359-Y362 HydrophobicContact CG-CE2 3.93Å; K359-Y362 PolarHBondContact O-N 3.17Å; K360-Y362 VanDerWaalsContact C-N 3.25Å; K360-Y362 PolarHBondContact O-N 2.78Å; Y362-V364 VanDerWaalsContact C-N 3.34Å; Y362-V364 PolarHBondContact O-N 2.95Å; Y362-V365 PolarHBondContact O-N 3.41Å; Y362-H366 WeakPolarHBondContact O-CB 3.46Å; Y362-H366 PolarHBondContact O-N 3.32Å
363L77.9Confident73.5Confident19 Ų1967.1 Ų67.110%0.09936%0.358CS..Hα-helixtrans-58.4-45.3171.3174.662.2000111.5C350 F357 K359 K360 V365 H366 Q367C350-L363 HydrophobicContact CB-CD1 3.61Å; F357-L363 HydrophobicContact CB-CB 4.38Å; F357-L363 HydrophobicContact CD2-CB 3.91Å; F357-L363 HydrophobicContact CD2-CD1 3.82Å; F357-L363 HydrophobicContact CD2-CG 4.48Å; F357-L363 HydrophobicContact CE2-CD1 4Å; F357-L363 HydrophobicContact CG-CB 4.34Å; K359-L363 PolarHBondContact O-N 3.26Å; K360-L363 PolarHBondContact O-N 3.5Å; L363-V365 VanDerWaalsContact C-N 3.34Å; L363-V365 PolarHBondContact O-N 3.31Å; L363-H366 CarbonylContact O-C 3.47Å; L363-H366 WeakPolarHBondContact O-CB 2.89Å; L363-H366 PolarHBondContact O-N 3.1Å; L363-H366 VanDerWaalsContact O-N 3.15Å; L363-Q367 HydrophobicContact CD1-CG 4.11Å; L363-Q367 HydrophobicContact CG-CG 4.44Å; L363-Q367 WeakPolarHBondContact O-CG 3.32Å; L363-Q367 PolarHBondContact O-N 3.49Å
364V75.3Confident73.4Confident61 Ų6169 Ų6937%0.3736%0.36SS..Hα-helixtrans-63-39.7178.7171.50000111.9K360 Y362 H366K360-V364 WeakPolarHBondContact O-CG2 3.34Å; K360-V364 PolarHBondContact O-N 2.92Å; Y362-V364 VanDerWaalsContact C-N 3.34Å; Y362-V364 PolarHBondContact O-N 2.95Å; V364-H366 VanDerWaalsContact C-N 3.35Å
365V68.7Low73.2Confident48 Ų4870.8 Ų70.829%0.29136%0.364SS..Hα-helixtrans-68.6-36.9174.7172.90000111S361 Y362 L363 R368 C387S361-V365 WeakPolarHBondContact O-CG2 3.46Å; S361-V365 PolarHBondContact O-N 3.5Å; S361-V365 VanDerWaalsContact O-N 3.15Å; Y362-V365 PolarHBondContact O-N 3.41Å; L363-V365 VanDerWaalsContact C-N 3.34Å; L363-V365 PolarHBondContact O-N 3.31Å; V365-R368 WeakPolarHBondContact O-CB 2.9Å; V365-R368 PolarHBondContact O-N 3.07Å; V365-C387 HydrophobicContact CG1-CB 3.95Å; V365-C387 HydrophobicContact CG2-CB 4.43Å
366H74.1Confident73.3Confident31 Ų3168.2 Ų68.214%0.14435%0.35CS..Hα-helixtrans-66.4-42.4176.2173.670000112.3C353 F357 Y362 L363 V364 R368 T369 H370C353-H366 PolarHBondContact SG-NE2 3.05Å; F357-H366 HydrophobicContact CE1-CB 4.01Å; F357-H366 HydrophobicContact CE2-CB 3.79Å; F357-H366 AromaticContact CE2-CD2 3.37Å; F357-H366 WeakPolarHBondContact CE2-CD2 3.37Å; F357-H366 AromaticContact CE2-CG 3.57Å; F357-H366 HydrophobicContact CZ-CB 3.42Å; F357-H366 VanDerWaalsContact CZ-CB 3.42Å; F357-H366 AromaticContact CZ-CD2 3.47Å; F357-H366 VanDerWaalsContact CZ-CD2 3.47Å; F357-H366 WeakPolarHBondContact CZ-CD2 3.42Å; F357-H366 AromaticContact CZ-CG 3.2Å; F357-H366 AromaticContact CZ-ND1 3.63Å; F357-H366 AromaticContact CZ-NE2 3.98Å; Y362-H366 WeakPolarHBondContact O-CB 3.46Å; Y362-H366 PolarHBondContact O-N 3.32Å; L363-H366 CarbonylContact O-C 3.47Å; L363-H366 WeakPolarHBondContact O-CB 2.89Å; L363-H366 PolarHBondContact O-N 3.1Å; L363-H366 VanDerWaalsContact O-N 3.15Å; V364-H366 VanDerWaalsContact C-N 3.35Å; H366-R368 PolarHBondContact O-N 3.23Å; H366-T369 WeakPolarHBondContact O-CB 3.49Å; H366-T369 WeakPolarHBondContact O-CG2 3.16Å; H366-T369 PolarHBondContact O-N 2.83Å; H366-T369 PolarHBondContact O-OG1 3.2Å; H366-H370 AromaticContact CD2-NE2 3.99Å; H366-H370 AromaticContact CE1-NE2 3.92Å; H366-H370 AromaticContact NE2-NE2 3.33Å; H366-H370 PolarHBondContact NE2-NE2 3.05Å
367Q73.1Confident73Confident69 Ų6972.2 Ų72.232%0.32236%0.363SS..Hα-helixtrans-58.7-24.1177.2-74.9173.4-35.200113.3L363 T369 H370 R371L363-Q367 HydrophobicContact CD1-CG 4.11Å; L363-Q367 HydrophobicContact CG-CG 4.44Å; L363-Q367 WeakPolarHBondContact O-CG 3.32Å; L363-Q367 PolarHBondContact O-N 3.49Å; Q367-T369 PolarHBondContact O-N 2.99Å; Q367-H370 PolarHBondContact O-N 3.36Å; Q367-R371 PolarHBondContact O-N 3.34Å
368R76.4Confident72.8Confident71 Ų7170.1 Ų70.127%0.26835%0.354SS..Hα-helixtrans-67-21.4172.8-62.4173.7-177.1175.9-3113.2V365 H366 H370 G372 E373 F386V365-R368 WeakPolarHBondContact O-CB 2.9Å; V365-R368 PolarHBondContact O-N 3.07Å; H366-R368 PolarHBondContact O-N 3.23Å; R368-H370 VanDerWaalsContact C-N 3.34Å; R368-G372 PolarHBondContact O-N 3.27Å; R368-E373 HydrophobicContact CB-CB 4.46Å; R368-E373 PolarHBondContact O-N 3.36Å; R368-F386 HydrophobicContact CB-CD1 4.14Å; R368-F386 PolarHBondContact NH1-O 3.01Å
369T66.5Low72.8Confident66 Ų6678 Ų7841%0.40538%0.383SS..Hα-helixtrans-70.5-33.5175.566.90000111.8H366 Q367 F386H366-T369 WeakPolarHBondContact O-CB 3.49Å; H366-T369 WeakPolarHBondContact O-CG2 3.16Å; H366-T369 PolarHBondContact O-N 2.83Å; H366-T369 PolarHBondContact O-OG1 3.2Å; Q367-T369 PolarHBondContact O-N 2.99Å; T369-F386 HydrophobicContact CG2-CD1 4.4Å; T369-F386 HydrophobicContact CG2-CE1 4.42Å
370H68.5Low72.6Confident77 Ų7781.1 Ų81.136%0.35640%0.399SS..Hα-helixtrans-74.4-37.4177-59.1-48.1000111.9C350 E352 C353 H366 Q367 R368 G372C350-H370 PolarHBondContact SG-NE2 3.36Å; E352-H370 WeakPolarHBondContact OE2-CB 3.34Å; E352-H370 IonicContact OE2-CD2 3.05Å; E352-H370 PolarHBondContact OE2-CD2 2.9Å; E352-H370 IonicContact OE2-CG 3.96Å; E352-H370 IonicContact OE2-NE2 3.07Å; C353-H370 PolarHBondContact SG-NE2 3.02Å; C353-H370 VanDerWaalsContact SG-NE2 3.41Å; H366-H370 AromaticContact CD2-NE2 3.99Å; H366-H370 AromaticContact CE1-NE2 3.92Å; H366-H370 AromaticContact NE2-NE2 3.33Å; H366-H370 PolarHBondContact NE2-NE2 3.05Å; Q367-H370 PolarHBondContact O-N 3.36Å; R368-H370 VanDerWaalsContact C-N 3.34Å; H370-G372 VanDerWaalsContact C-N 3.31Å; H370-G372 PolarHBondContact O-N 2.76Å
371R69.3Low72.2Confident174 Ų17478.2 Ų78.266%0.65739%0.392SS*.Hα-helixtrans-80.9-8.7177.5-63.3179.8172.8-115-8.5114.3Q367 E373Q367-R371 PolarHBondContact O-N 3.34Å; R371-E373 HydrophobicContact CB-CB 4.5Å; R371-E373 HydrophobicContact CB-CG 3.91Å; R371-E373 PolarHBondContact O-N 3.17Å; R371-E373 VanDerWaalsContact O-N 3.1Å
372G64Low72.1Confident49 Ų4976.9 Ų76.951%0.50539%0.389SS..THydrogen-bonded Turntrans65.57-173.800000114.7R368 H370 K374R368-G372 PolarHBondContact O-N 3.27Å; H370-G372 VanDerWaalsContact C-N 3.31Å; H370-G372 PolarHBondContact O-N 2.76Å; G372-K374 PolarHBondContact O-N 3.46Å
373E69.6Low71.7Confident92 Ų9277.4 Ų77.443%0.4339%0.394SS..  trans-70118.7-177.4-70.9175.5-158.400110.7R368 R371 P375 F386R368-E373 HydrophobicContact CB-CB 4.46Å; R368-E373 PolarHBondContact O-N 3.36Å; R371-E373 HydrophobicContact CB-CB 4.5Å; R371-E373 HydrophobicContact CB-CG 3.91Å; R371-E373 PolarHBondContact O-N 3.17Å; R371-E373 VanDerWaalsContact O-N 3.1Å; E373-P375 WeakPolarHBondContact O-CD 3.37Å; E373-F386 WeakPolarHBondContact O-CD1 3.36Å
374K71.3Confident71.2Confident92 Ų9279.2 Ų79.240%0.441%0.406SS..  trans-121.378.9176-67.7171.5175.4-1800110.6G372 N376 T384 F385 F386G372-K374 PolarHBondContact O-N 3.46Å; K374-N376 PolarHBondContact O-N 3.43Å; K374-N376 VanDerWaalsContact O-N 3.17Å; K374-T384 VanDerWaalsContact CB-CB 3.47Å; K374-T384 WeakPolarHBondContact CB-OG1 3.48Å; K374-T384 WeakPolarHBondContact CD-O 3.33Å; K374-T384 VanDerWaalsContact CD-OG1 3.25Å; K374-T384 WeakPolarHBondContact CD-OG1 3.49Å; K374-T384 WeakPolarHBondContact O-CB 3.36Å; K374-F385 CarbonylContact C-O 3.56Å; K374-F386 HydrophobicContact CD-CE1 4.24Å; K374-F386 HydrophobicContact CD-CE2 4.39Å; K374-F386 HydrophobicContact CD-CZ 4.06Å; K374-F386 VanDerWaalsContact CE-CE2 3.49Å; K374-F386 HydrophobicContact CG-CD1 3.67Å; K374-F386 HydrophobicContact CG-CD2 4.35Å; K374-F386 HydrophobicContact CG-CE1 3.48Å; K374-F386 VanDerWaalsContact CG-CE1 3.48Å; K374-F386 HydrophobicContact CG-CE2 4.2Å; K374-F386 HydrophobicContact CG-CG 4.11Å; K374-F386 HydrophobicContact CG-CZ 3.78Å
375P71.9Confident71.1Confident79 Ų7978.2 Ų78.251%0.51340%0.396SS..  trans-70.2-15.6-169.2-19.733000114.8E373E373-P375 WeakPolarHBondContact O-CD 3.37Å
376N75.5Confident70.8Confident29 Ų2979 Ų7916%0.15540%0.396CS..EExtended strand (participates in β ladder)trans-103.698.3-171.1-47.1-85.3000109.1K374 T384 F385 C387 L391K374-N376 PolarHBondContact O-N 3.43Å; K374-N376 VanDerWaalsContact O-N 3.17Å; N376-T384 CarbonylContact O-C 3.58Å; N376-T384 WeakPolarHBondContact O-CA 3.47Å; N376-F385 HydrophobicContact CB-CB 4.41Å; N376-F385 WeakPolarHBondContact CB-O 3.39Å; N376-F385 PolarHBondContact N-O 2.56Å; N376-F385 VanDerWaalsContact N-O 3.16Å; N376-F385 PolarHBondContact ND2-O 3.19Å; N376-F385 PolarHBondContact O-N 3.09Å; N376-C387 VanDerWaalsContact ND2-C 3.34Å; N376-C387 VanDerWaalsContact ND2-CA 3.34Å; N376-C387 WeakPolarHBondContact ND2-CA 3.46Å; N376-C387 PolarHBondContact ND2-N 3.47Å; N376-L391 HydrophobicContact CB-CB 4.11Å; N376-L391 HydrophobicContact CB-CD2 3.81Å
377E74.2Confident70.4Confident120 Ų12078.8 Ų78.856%0.56140%0.398SS*.EExtended strand (participates in β ladder)trans-90.8134.8179.8-171.5-18016000111.8K379 T384E377-K379 PolarHBondContact O-N 3.3Å; E377-T384 HydrophobicContact CB-CG2 4.09Å; E377-T384 HydrophobicContact CG-CG2 4.02Å
378C75.8Confident70.3Confident0 Ų080.3 Ų80.30%041%0.405CS..  trans-77.7114.1169.1-177.50000109.9E380 C381 G382 K383 F385 L391 H398C378-E380 PolarHBondContact O-N 3.19Å; C378-E380 VanDerWaalsContact O-N 3.14Å; C378-C381 PolarHBondContact O-N 3.37Å; C378-C381 VanDerWaalsContact SG-SG 3.62Å; C378-G382 VanDerWaalsContact O-CA 3.32Å; C378-G382 WeakPolarHBondContact O-CA 3.47Å; C378-G382 PolarHBondContact O-N 2.9Å; C378-K383 WeakPolarHBondContact CB-O 3.33Å; C378-K383 PolarHBondContact N-O 2.77Å; C378-F385 HydrophobicContact CB-CE2 4.29Å; C378-L391 HydrophobicContact CB-CD1 3.55Å; C378-H398 PolarHBondContact SG-NE2 3.19Å
379K76Confident69.8Low205 Ų20581.1 Ų81.189%0.89142%0.422SS*.THydrogen-bonded Turntrans-60.6-22.4179.8-63.1-173.8177.8-1760114.3E377E377-K379 PolarHBondContact O-N 3.3Å
380E71.9Confident69.8Low124 Ų12479.8 Ų79.858%0.57942%0.417SS*.THydrogen-bonded Turntrans-89.5-27.1-175.9-67.6169.9161.800113.4C378 H398C378-E380 PolarHBondContact O-N 3.19Å; C378-E380 VanDerWaalsContact O-N 3.14Å; E380-H398 WeakPolarHBondContact OE2-CB 3.25Å; E380-H398 IonicContact OE2-CD2 3.52Å; E380-H398 PolarHBondContact OE2-CD2 3.25Å; E380-H398 IonicContact OE2-CG 3.87Å; E380-H398 IonicContact OE2-NE2 3.36Å
381C66.8Low70Confident51 Ų5176.5 Ų76.535%0.34540%0.402SS..THydrogen-bonded Turntrans-135.74.5-175.874.90000114.9C378 K383 H394 H398C378-C381 PolarHBondContact O-N 3.37Å; C378-C381 VanDerWaalsContact SG-SG 3.62Å; C381-K383 PolarHBondContact O-N 3.38Å; C381-H394 PolarHBondContact SG-NE2 3.03Å; C381-H398 PolarHBondContact SG-NE2 3.46Å; C381-H398 VanDerWaalsContact SG-NE2 3.4Å
382G72.6Confident70Confident41 Ų4171 Ų7142%0.42339%0.388SS..  trans66.91.5179.900000115.1C378 T384C378-G382 VanDerWaalsContact O-CA 3.32Å; C378-G382 WeakPolarHBondContact O-CA 3.47Å; C378-G382 PolarHBondContact O-N 2.9Å; G382-T384 PolarHBondContact O-N 3.43Å
383K66.4Low70Confident127 Ų12770.5 Ų70.555%0.55238%0.379SS*.  trans-70.1133.3179.8-73.1178.9-178.4171.20110.8C378 C381 F385C378-K383 WeakPolarHBondContact CB-O 3.33Å; C378-K383 PolarHBondContact N-O 2.77Å; C381-K383 PolarHBondContact O-N 3.38Å; K383-F385 HydrophobicContact CB-CE2 3.79Å; K383-F385 HydrophobicContact CB-CZ 3.99Å; K383-F385 WeakPolarHBondContact O-CD2 2.87Å; K383-F385 VanDerWaalsContact O-CE2 3.29Å; K383-F385 WeakPolarHBondContact O-CE2 3.34Å
384T66.8Low70Confident57 Ų5766.9 Ų66.935%0.3536%0.362SS..EExtended strand (participates in β ladder)trans-103.6143.2-177.658.10000111.9K374 N376 E377 G382K374-T384 VanDerWaalsContact CB-CB 3.47Å; K374-T384 WeakPolarHBondContact CB-OG1 3.48Å; K374-T384 WeakPolarHBondContact CD-O 3.33Å; K374-T384 VanDerWaalsContact CD-OG1 3.25Å; K374-T384 WeakPolarHBondContact CD-OG1 3.49Å; K374-T384 WeakPolarHBondContact O-CB 3.36Å; N376-T384 CarbonylContact O-C 3.58Å; N376-T384 WeakPolarHBondContact O-CA 3.47Å; E377-T384 HydrophobicContact CB-CG2 4.09Å; E377-T384 HydrophobicContact CG-CG2 4.02Å; G382-T384 PolarHBondContact O-N 3.43Å
385F73.8Confident69.8Low40 Ų4065.6 Ų65.618%0.17536%0.357CS..EExtended strand (participates in β ladder)trans-130.9147.2-175.1-60.8-90.5000112.1K374 N376 C378 K383 C387 A390 L391 H394K374-F385 CarbonylContact C-O 3.56Å; N376-F385 HydrophobicContact CB-CB 4.41Å; N376-F385 WeakPolarHBondContact CB-O 3.39Å; N376-F385 PolarHBondContact N-O 2.56Å; N376-F385 VanDerWaalsContact N-O 3.16Å; N376-F385 PolarHBondContact ND2-O 3.19Å; N376-F385 PolarHBondContact O-N 3.09Å; C378-F385 HydrophobicContact CB-CE2 4.29Å; K383-F385 HydrophobicContact CB-CE2 3.79Å; K383-F385 HydrophobicContact CB-CZ 3.99Å; K383-F385 WeakPolarHBondContact O-CD2 2.87Å; K383-F385 VanDerWaalsContact O-CE2 3.29Å; K383-F385 WeakPolarHBondContact O-CE2 3.34Å; F385-C387 VanDerWaalsContact C-N 3.3Å; F385-C387 PolarHBondContact O-N 3.14Å; F385-A390 HydrophobicContact CB-CB 4.26Å; F385-A390 HydrophobicContact CD1-CB 4.05Å; F385-A390 HydrophobicContact CG-CB 4.47Å; F385-L391 HydrophobicContact CB-CB 4.23Å; F385-L391 HydrophobicContact CD2-CB 3.99Å; F385-L391 HydrophobicContact CD2-CD1 3.73Å; F385-L391 HydrophobicContact CD2-CG 4.45Å; F385-L391 HydrophobicContact CE2-CD1 3.96Å; F385-L391 HydrophobicContact CG-CB 4.24Å; F385-H394 HydrophobicContact CE1-CB 3.77Å; F385-H394 AromaticContact CE1-CG 3.93Å; F385-H394 HydrophobicContact CE2-CB 3.86Å; F385-H394 AromaticContact CE2-CD2 3.37Å; F385-H394 WeakPolarHBondContact CE2-CD2 3.38Å; F385-H394 AromaticContact CE2-CG 3.58Å; F385-H394 HydrophobicContact CZ-CB 3.38Å; F385-H394 AromaticContact CZ-CD2 3.36Å; F385-H394 WeakPolarHBondContact CZ-CD2 3.37Å; F385-H394 AromaticContact CZ-CG 3.09Å; F385-H394 AromaticContact CZ-ND1 3.54Å; F385-H394 AromaticContact CZ-NE2 3.91Å
386F61.7Low69.7Low65 Ų6564.8 Ų64.829%0.28534%0.344SS..SBendtrans-70.9-22.7-178.9-56.5-80.9000113.6R368 T369 E373 K374R368-F386 HydrophobicContact CB-CD1 4.14Å; R368-F386 PolarHBondContact NH1-O 3.01Å; T369-F386 HydrophobicContact CG2-CD1 4.4Å; T369-F386 HydrophobicContact CG2-CE1 4.42Å; E373-F386 WeakPolarHBondContact O-CD1 3.36Å; K374-F386 HydrophobicContact CD-CE1 4.24Å; K374-F386 HydrophobicContact CD-CE2 4.39Å; K374-F386 HydrophobicContact CD-CZ 4.06Å; K374-F386 VanDerWaalsContact CE-CE2 3.49Å; K374-F386 HydrophobicContact CG-CD1 3.67Å; K374-F386 HydrophobicContact CG-CD2 4.35Å; K374-F386 HydrophobicContact CG-CE1 3.48Å; K374-F386 VanDerWaalsContact CG-CE1 3.48Å; K374-F386 HydrophobicContact CG-CE2 4.2Å; K374-F386 HydrophobicContact CG-CG 4.11Å; K374-F386 HydrophobicContact CG-CZ 3.78Å
387C67.1Low69.1Low27 Ų2768.8 Ų68.818%0.18236%0.364CS..SBendtrans-143.5154.6177.963.90000113V365 N376 F385 S389 A390 L391V365-C387 HydrophobicContact CG1-CB 3.95Å; V365-C387 HydrophobicContact CG2-CB 4.43Å; N376-C387 VanDerWaalsContact ND2-C 3.34Å; N376-C387 VanDerWaalsContact ND2-CA 3.34Å; N376-C387 WeakPolarHBondContact ND2-CA 3.46Å; N376-C387 PolarHBondContact ND2-N 3.47Å; F385-C387 VanDerWaalsContact C-N 3.3Å; F385-C387 PolarHBondContact O-N 3.14Å; C387-S389 VanDerWaalsContact C-N 3.32Å; C387-S389 PolarHBondContact O-N 3.32Å; C387-S389 PolarHBondContact SG-OG 3.3Å; C387-S389 VanDerWaalsContact SG-OG 3.36Å; C387-A390 PolarHBondContact O-N 3.16Å; C387-A390 WeakPolarHBondContact SG-CB 3.46Å; C387-L391 PolarHBondContact O-N 2.83Å
388Q71.3Confident68.7Low101 Ų10166.5 Ų66.547%0.47235%0.353SS..Hα-helixtrans-62.9-35.6179.5-175.659.348.200112.6A390 L391 T392Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 3.13Å; Q388-L391 PolarHBondContact O-N 3.45Å; Q388-T392 PolarHBondContact NE2-OG1 2.87Å; Q388-T392 PolarHBondContact O-N 2.81Å; Q388-T392 PolarHBondContact O-OG1 3.14Å; Q388-T392 VanDerWaalsContact O-OG1 3.12Å
389S65.4Low68.2Low88 Ų8870.1 Ų70.162%0.61538%0.376SS*.Hα-helixtrans-65.3-36.2177.951.80000112.6C387 A393C387-S389 VanDerWaalsContact C-N 3.32Å; C387-S389 PolarHBondContact O-N 3.32Å; C387-S389 PolarHBondContact SG-OG 3.3Å; C387-S389 VanDerWaalsContact SG-OG 3.36Å; S389-A393 WeakPolarHBondContact O-CB 3.39Å; S389-A393 PolarHBondContact O-N 3.12Å
390A66.7Low67.5Low37 Ų3762.7 Ų62.731%0.30636%0.357SS..Hα-helixtrans-68.9-38.9173.700000111.7F385 C387 Q388 A393 H394F385-A390 HydrophobicContact CB-CB 4.26Å; F385-A390 HydrophobicContact CD1-CB 4.05Å; F385-A390 HydrophobicContact CG-CB 4.47Å; C387-A390 PolarHBondContact O-N 3.16Å; C387-A390 WeakPolarHBondContact SG-CB 3.46Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 3.13Å; A390-A393 PolarHBondContact O-N 3.07Å; A390-H394 WeakPolarHBondContact O-CB 3.5Å; A390-H394 PolarHBondContact O-N 3.46Å
391L72.7Confident67Low9 Ų962.3 Ų62.35%0.04736%0.355CS..Hα-helixtrans-62.4-47.5172.7173.159.6000111.4N376 C378 F385 C387 Q388 A393 H394 Q395N376-L391 HydrophobicContact CB-CB 4.11Å; N376-L391 HydrophobicContact CB-CD2 3.81Å; C378-L391 HydrophobicContact CB-CD1 3.55Å; F385-L391 HydrophobicContact CB-CB 4.23Å; F385-L391 HydrophobicContact CD2-CB 3.99Å; F385-L391 HydrophobicContact CD2-CD1 3.73Å; F385-L391 HydrophobicContact CD2-CG 4.45Å; F385-L391 HydrophobicContact CE2-CD1 3.96Å; F385-L391 HydrophobicContact CG-CB 4.24Å; C387-L391 PolarHBondContact O-N 2.83Å; Q388-L391 PolarHBondContact O-N 3.45Å; L391-A393 VanDerWaalsContact C-N 3.33Å; L391-A393 PolarHBondContact O-N 3.41Å; L391-H394 CarbonylContact O-C 3.24Å; L391-H394 WeakPolarHBondContact O-CA 3.46Å; L391-H394 WeakPolarHBondContact O-CB 3.41Å; L391-H394 PolarHBondContact O-N 3.06Å; L391-Q395 HydrophobicContact CD1-CG 4.04Å; L391-Q395 HydrophobicContact CG-CG 4.4Å; L391-Q395 WeakPolarHBondContact O-CG 3.47Å; L391-Q395 PolarHBondContact O-N 3.35Å
392T68.9Low67.1Low58 Ų5865.4 Ų65.436%0.35636%0.363SS..Hα-helixtrans-62.2-39.5178.1-61.70000112Q388 H394 Q395Q388-T392 PolarHBondContact NE2-OG1 2.87Å; Q388-T392 PolarHBondContact O-N 2.81Å; Q388-T392 PolarHBondContact O-OG1 3.14Å; Q388-T392 VanDerWaalsContact O-OG1 3.12Å; T392-H394 VanDerWaalsContact C-N 3.31Å; T392-H394 PolarHBondContact O-N 2.93Å; T392-Q395 PolarHBondContact O-N 2.96Å
393A64.1Low67Low38 Ų3867 Ų6731%0.31437%0.366SS..Hα-helixtrans-65.5-35.717300000112.3S389 A390 L391 R396S389-A393 WeakPolarHBondContact O-CB 3.39Å; S389-A393 PolarHBondContact O-N 3.12Å; A390-A393 PolarHBondContact O-N 3.07Å; L391-A393 VanDerWaalsContact C-N 3.33Å; L391-A393 PolarHBondContact O-N 3.41Å; A393-R396 WeakPolarHBondContact O-CB 3.37Å
394H70.3Confident67.3Low17 Ų1764.1 Ų64.18%0.07935%0.352CS..Hα-helixtrans-69.1-39.5175.7172.569.3000113C381 F385 A390 L391 T392 R396 I397 H398C381-H394 PolarHBondContact SG-NE2 3.03Å; F385-H394 HydrophobicContact CE1-CB 3.77Å; F385-H394 AromaticContact CE1-CG 3.93Å; F385-H394 HydrophobicContact CE2-CB 3.86Å; F385-H394 AromaticContact CE2-CD2 3.37Å; F385-H394 WeakPolarHBondContact CE2-CD2 3.38Å; F385-H394 AromaticContact CE2-CG 3.58Å; F385-H394 HydrophobicContact CZ-CB 3.38Å; F385-H394 AromaticContact CZ-CD2 3.36Å; F385-H394 WeakPolarHBondContact CZ-CD2 3.37Å; F385-H394 AromaticContact CZ-CG 3.09Å; F385-H394 AromaticContact CZ-ND1 3.54Å; F385-H394 AromaticContact CZ-NE2 3.91Å; A390-H394 WeakPolarHBondContact O-CB 3.5Å; A390-H394 PolarHBondContact O-N 3.46Å; L391-H394 CarbonylContact O-C 3.24Å; L391-H394 WeakPolarHBondContact O-CA 3.46Å; L391-H394 WeakPolarHBondContact O-CB 3.41Å; L391-H394 PolarHBondContact O-N 3.06Å; T392-H394 VanDerWaalsContact C-N 3.31Å; T392-H394 PolarHBondContact O-N 2.93Å; H394-R396 PolarHBondContact O-N 3.25Å; H394-R396 VanDerWaalsContact O-N 3.14Å; H394-I397 VanDerWaalsContact O-CB 3.25Å; H394-I397 WeakPolarHBondContact O-CB 3.2Å; H394-I397 WeakPolarHBondContact O-CG1 3.2Å; H394-I397 PolarHBondContact O-N 3.4Å; H394-H398 AromaticContact CD2-NE2 3.93Å; H394-H398 AromaticContact CE1-NE2 3.93Å; H394-H398 AromaticContact NE2-CE1 3.99Å; H394-H398 AromaticContact NE2-NE2 3.24Å; H394-H398 PolarHBondContact NE2-NE2 3.43Å
395Q66.6Low67.4Low65 Ų6566.8 Ų66.830%0.30436%0.36SS..Hα-helixtrans-59.2-25.9178.9-75.1172.5-49.900112.6L391 T392 I397 H398 T399L391-Q395 HydrophobicContact CD1-CG 4.04Å; L391-Q395 HydrophobicContact CG-CG 4.4Å; L391-Q395 WeakPolarHBondContact O-CG 3.47Å; L391-Q395 PolarHBondContact O-N 3.35Å; T392-Q395 PolarHBondContact O-N 2.96Å; Q395-I397 PolarHBondContact O-N 3.16Å; Q395-I397 VanDerWaalsContact O-N 3.16Å; Q395-H398 PolarHBondContact O-N 2.92Å; Q395-T399 PolarHBondContact O-N 3.44Å; Q395-T399 VanDerWaalsContact O-N 3.14Å
396R68.8Low67.3Low61 Ų6164.9 Ų64.923%0.2335%0.352CS..Hα-helixtrans-62.4-19.1173.1-63.4176-177.3171.2-3.5114.1A393 H394 H398 T399 G400 Y404 F414A393-R396 WeakPolarHBondContact O-CB 3.37Å; H394-R396 PolarHBondContact O-N 3.25Å; H394-R396 VanDerWaalsContact O-N 3.14Å; R396-H398 VanDerWaalsContact C-N 3.32Å; R396-T399 WeakPolarHBondContact CA-OG1 3.32Å; R396-G400 PolarHBondContact O-N 3.48Å; R396-G400 VanDerWaalsContact O-N 3.09Å; R396-Y404 PolarHBondContact NH1-OH 2.88Å; R396-F414 PolarHBondContact NH1-O 3.29Å
397I63.3Low67.8Low113 Ų11366.9 Ų66.958%0.57937%0.374SS*.Hα-helixtrans-70.5-34.8174.1-59.5176.5000110.4H394 Q395H394-I397 VanDerWaalsContact O-CB 3.25Å; H394-I397 WeakPolarHBondContact O-CB 3.2Å; H394-I397 WeakPolarHBondContact O-CG1 3.2Å; H394-I397 PolarHBondContact O-N 3.4Å; Q395-I397 PolarHBondContact O-N 3.16Å; Q395-I397 VanDerWaalsContact O-N 3.16Å
398H65.4Low68Low73 Ų7370.1 Ų70.134%0.33839%0.387SS..Hα-helixtrans-82.9-39.6-178.7-56.9-53.3000111.6C378 E380 C381 H394 Q395 R396 G400C378-H398 PolarHBondContact SG-NE2 3.19Å; E380-H398 WeakPolarHBondContact OE2-CB 3.25Å; E380-H398 IonicContact OE2-CD2 3.52Å; E380-H398 PolarHBondContact OE2-CD2 3.25Å; E380-H398 IonicContact OE2-CG 3.87Å; E380-H398 IonicContact OE2-NE2 3.36Å; C381-H398 PolarHBondContact SG-NE2 3.46Å; C381-H398 VanDerWaalsContact SG-NE2 3.4Å; H394-H398 AromaticContact CD2-NE2 3.93Å; H394-H398 AromaticContact CE1-NE2 3.93Å; H394-H398 AromaticContact NE2-CE1 3.99Å; H394-H398 AromaticContact NE2-NE2 3.24Å; H394-H398 PolarHBondContact NE2-NE2 3.43Å; Q395-H398 PolarHBondContact O-N 2.92Å; R396-H398 VanDerWaalsContact C-N 3.32Å; H398-G400 VanDerWaalsContact C-N 3.26Å; H398-G400 PolarHBondContact O-N 3.14Å
399T65.1Low67.9Low76 Ų7667.4 Ų67.447%0.46638%0.378SS..Hα-helixtrans-76-15.2176.464.40000113.1Q395 R396 E401Q395-T399 PolarHBondContact O-N 3.44Å; Q395-T399 VanDerWaalsContact O-N 3.14Å; R396-T399 WeakPolarHBondContact CA-OG1 3.32Å; T399-E401 PolarHBondContact O-N 3.09Å; T399-E401 VanDerWaalsContact O-N 3.14Å; T399-E401 WeakPolarHBondContact OG1-CG 3.3Å; T399-E401 PolarHBondContact OG1-N 3.33Å
400G61.5Low68Low48 Ų4870.3 Ų70.350%0.49538%0.382SS..  trans693.7-176.100000114.1R396 H398 K402R396-G400 PolarHBondContact O-N 3.48Å; R396-G400 VanDerWaalsContact O-N 3.09Å; H398-G400 VanDerWaalsContact C-N 3.26Å; H398-G400 PolarHBondContact O-N 3.14Å; G400-K402 PolarHBondContact O-N 3.04Å
401E62.7Low67.8Low116 Ų11674.2 Ų74.254%0.54239%0.392SS..  trans-63.7125.6179.4-71.8178.2-177.500110.7T399 P403T399-E401 PolarHBondContact O-N 3.09Å; T399-E401 VanDerWaalsContact O-N 3.14Å; T399-E401 WeakPolarHBondContact OG1-CG 3.3Å; T399-E401 PolarHBondContact OG1-N 3.33Å; E401-P403 WeakPolarHBondContact O-CD 3.35Å
402K68.4Low67.1Low117 Ų11776.5 Ų76.551%0.50941%0.406SS..  trans-122.476.8174.9-67.1172.9177.8-179.40109.6G400 Y404 T412 F413G400-K402 PolarHBondContact O-N 3.04Å; K402-Y404 PolarHBondContact O-N 3.16Å; K402-Y404 VanDerWaalsContact O-N 3.07Å; K402-T412 VanDerWaalsContact CD-OG1 3.23Å; K402-T412 WeakPolarHBondContact CD-OG1 3.46Å; K402-F413 CarbonylContact C-O 3.39Å; K402-F413 VanDerWaalsContact C-O 3.3Å; K402-F413 VanDerWaalsContact CA-O 3.3Å; K402-F413 WeakPolarHBondContact CA-O 3.5Å
403P70.3Confident67Low75 Ų7575.5 Ų75.549%0.48740%0.397SS..  trans-69.1-10.1-169.8-19.433.3000114.4E401E401-P403 WeakPolarHBondContact O-CD 3.35Å
404Y72.3Confident66.6Low65 Ų6578.8 Ų78.826%0.25541%0.405SS..EExtended strand (participates in β ladder)trans-106.599.8-173.4-56.3-77.5000109.8R396 K402 T412 F413 C415 Q416R396-Y404 PolarHBondContact NH1-OH 2.88Å; K402-Y404 PolarHBondContact O-N 3.16Å; K402-Y404 VanDerWaalsContact O-N 3.07Å; Y404-T412 CarbonylContact O-C 3.51Å; Y404-T412 WeakPolarHBondContact O-CA 3.44Å; Y404-F413 PolarHBondContact N-O 3.04Å; Y404-F413 PolarHBondContact O-N 3.39Å; Y404-C415 VanDerWaalsContact CD2-C 3.41Å; Y404-C415 VanDerWaalsContact CD2-CA 3.42Å; Y404-C415 VanDerWaalsContact CE2-CA 3.48Å; Y404-Q416 HydrophobicContact CD1-CB 4.07Å; Y404-Q416 HydrophobicContact CE1-CB 3.91Å
405E69.5Low66Low113 Ų11379.2 Ų79.253%0.52841%0.409SS..EExtended strand (participates in β ladder)trans-93.1140.7179.6-171.3177.2162.800111.6T412 L419E405-T412 HydrophobicContact CB-CG2 4.19Å; E405-T412 HydrophobicContact CG-CG2 4.09Å; E405-L419 WeakPolarHBondContact O-CD2 3.37Å
406C70.9Confident65.9Low1 Ų180.2 Ų80.21%0.00741%0.414CS..  trans-85.1114.2169.8-178.40000109.8E408 C409 E410 K411 F413 L419 H426C406-E408 PolarHBondContact O-N 3.46Å; C406-C409 PolarHBondContact O-N 3.15Å; C406-E410 VanDerWaalsContact O-CA 3.25Å; C406-E410 WeakPolarHBondContact O-CA 3.44Å; C406-E410 PolarHBondContact O-N 3.19Å; C406-K411 WeakPolarHBondContact CB-O 3.44Å; C406-K411 PolarHBondContact N-O 3.34Å; C406-F413 HydrophobicContact CB-CE2 4.31Å; C406-L419 HydrophobicContact CB-CD1 3.58Å; C406-H426 PolarHBondContact SG-NE2 3.35Å
407S73.6Confident65.6Low106 Ų10681.1 Ų81.174%0.74143%0.43SS*.THydrogen-bonded Turntrans-59.7-17.8177.553.10000114.8
408E70.9Confident65.6Low96 Ų9676.9 Ų76.945%0.44941%0.412SS..THydrogen-bonded Turntrans-97.5-18.8-175.1-64.8167.7-135.200113.4C406 H426C406-E408 PolarHBondContact O-N 3.46Å; E408-H426 WeakPolarHBondContact OE2-CB 3.38Å; E408-H426 IonicContact OE2-CD2 2.9Å; E408-H426 PolarHBondContact OE2-CD2 3.14Å; E408-H426 IonicContact OE2-CG 3.94Å; E408-H426 VanDerWaalsContact OE2-CG 3.31Å
409C68.7Low65.7Low43 Ų4374 Ų7429%0.29140%0.398SS..THydrogen-bonded Turntrans-149.713.8-179.674.30000114.7C406 K411 H422 H426C406-C409 PolarHBondContact O-N 3.15Å; C409-K411 PolarHBondContact O-N 3.27Å; C409-H422 PolarHBondContact SG-NE2 3.06Å; C409-H426 PolarHBondContact SG-CE1 2.91Å; C409-H426 PolarHBondContact SG-NE2 3.4Å
410E67.6Low65.8Low150 Ų15073.6 Ų73.670%0.70139%0.393SS*.  trans56.411.4176.2-59.7174-172.600114.6C406 T412C406-E410 VanDerWaalsContact O-CA 3.25Å; C406-E410 WeakPolarHBondContact O-CA 3.44Å; C406-E410 PolarHBondContact O-N 3.19Å; E410-T412 PolarHBondContact O-N 2.83Å
411K61.5Low66Low118 Ų11874.1 Ų74.151%0.51339%0.387SS..  trans-70.1130.5175.1-75178.5-172.5162.10110C406 C409 F413C406-K411 WeakPolarHBondContact CB-O 3.44Å; C406-K411 PolarHBondContact N-O 3.34Å; C409-K411 PolarHBondContact O-N 3.27Å; K411-F413 HydrophobicContact CB-CE2 3.74Å; K411-F413 HydrophobicContact CB-CZ 3.92Å; K411-F413 WeakPolarHBondContact O-CD2 3.44Å; K411-F413 VanDerWaalsContact O-CE2 3.22Å; K411-F413 WeakPolarHBondContact O-CE2 3.35Å
412T58.3Low66.4Low57 Ų5769.7 Ų69.735%0.3537%0.366SS..EExtended strand (participates in β ladder)trans-101.9142.6-179.658.60000111.7K402 Y404 E405 E410K402-T412 VanDerWaalsContact CD-OG1 3.23Å; K402-T412 WeakPolarHBondContact CD-OG1 3.46Å; Y404-T412 CarbonylContact O-C 3.51Å; Y404-T412 WeakPolarHBondContact O-CA 3.44Å; E405-T412 HydrophobicContact CB-CG2 4.19Å; E405-T412 HydrophobicContact CG-CG2 4.09Å; E410-T412 PolarHBondContact O-N 2.83Å
413F67.8Low66.3Low37 Ų3769.2 Ų69.216%0.16236%0.361CS..EExtended strand (participates in β ladder)trans-128152.5-176-60.7-90.2000111.3K402 Y404 C406 K411 A418 L419 H422K402-F413 CarbonylContact C-O 3.39Å; K402-F413 VanDerWaalsContact C-O 3.3Å; K402-F413 VanDerWaalsContact CA-O 3.3Å; K402-F413 WeakPolarHBondContact CA-O 3.5Å; Y404-F413 PolarHBondContact N-O 3.04Å; Y404-F413 PolarHBondContact O-N 3.39Å; C406-F413 HydrophobicContact CB-CE2 4.31Å; K411-F413 HydrophobicContact CB-CE2 3.74Å; K411-F413 HydrophobicContact CB-CZ 3.92Å; K411-F413 WeakPolarHBondContact O-CD2 3.44Å; K411-F413 VanDerWaalsContact O-CE2 3.22Å; K411-F413 WeakPolarHBondContact O-CE2 3.35Å; F413-A418 HydrophobicContact CB-CB 4.22Å; F413-A418 HydrophobicContact CD1-CB 3.96Å; F413-A418 HydrophobicContact CG-CB 4.41Å; F413-L419 HydrophobicContact CB-CB 4.17Å; F413-L419 HydrophobicContact CD2-CB 3.88Å; F413-L419 HydrophobicContact CD2-CD1 3.65Å; F413-L419 HydrophobicContact CD2-CG 4.35Å; F413-L419 HydrophobicContact CE2-CD1 3.85Å; F413-L419 HydrophobicContact CG-CB 4.13Å; F413-H422 HydrophobicContact CE1-CB 3.68Å; F413-H422 AromaticContact CE1-CG 3.93Å; F413-H422 HydrophobicContact CE2-CB 3.87Å; F413-H422 AromaticContact CE2-CD2 3.2Å; F413-H422 WeakPolarHBondContact CE2-CD2 3.3Å; F413-H422 AromaticContact CE2-CG 3.63Å; F413-H422 AromaticContact CE2-NE2 4Å; F413-H422 HydrophobicContact CZ-CB 3.31Å; F413-H422 AromaticContact CZ-CD2 3.16Å; F413-H422 WeakPolarHBondContact CZ-CD2 3.43Å; F413-H422 AromaticContact CZ-CG 3.1Å; F413-H422 AromaticContact CZ-ND1 3.84Å; F413-H422 AromaticContact CZ-NE2 3.87Å
414F54.3Low66.5Low108 Ų10868.4 Ų68.447%0.47435%0.348SS..SBendtrans-78.4-19.4-179.559.5-88.6000113.2R396 A418R396-F414 PolarHBondContact NH1-O 3.29Å; F414-A418 HydrophobicContact CE1-CB 4.23Å; F414-A418 HydrophobicContact CZ-CB 4.2Å
415C58.9Low66.1Low25 Ų2569.1 Ų69.117%0.16936%0.363CS..SBendtrans-146.1152.3177.468.20000112.8Y404 S417 A418 L419Y404-C415 VanDerWaalsContact CD2-C 3.41Å; Y404-C415 VanDerWaalsContact CD2-CA 3.42Å; Y404-C415 VanDerWaalsContact CE2-CA 3.48Å; C415-S417 VanDerWaalsContact C-N 3.27Å; C415-S417 PolarHBondContact O-N 3.33Å; C415-S417 PolarHBondContact SG-OG 3.02Å; C415-A418 PolarHBondContact O-N 3.41Å; C415-A418 WeakPolarHBondContact SG-CB 3.16Å; C415-A418 PolarHBondContact SG-N 2.86Å; C415-L419 PolarHBondContact O-N 3.33Å
416Q64.3Low65.8Low86 Ų8667.1 Ų67.140%0.40235%0.353SS..Hα-helixtrans-59.1-35.2178.5-17365.640.600112.8Y404 L419 N420Y404-Q416 HydrophobicContact CD1-CB 4.07Å; Y404-Q416 HydrophobicContact CE1-CB 3.91Å; Q416-L419 PolarHBondContact O-N 2.96Å; Q416-N420 PolarHBondContact NE2-OD1 3.13Å; Q416-N420 WeakPolarHBondContact O-CB 3.23Å; Q416-N420 PolarHBondContact O-N 2.82Å; Q416-N420 PolarHBondContact O-OD1 2.75Å
417S61.8Low65.5Low81 Ų8170.2 Ų70.257%0.56637%0.372SS*.Hα-helixtrans-67-36.6179.1530000112.4C415 N420 V421C415-S417 VanDerWaalsContact C-N 3.27Å; C415-S417 PolarHBondContact O-N 3.33Å; C415-S417 PolarHBondContact SG-OG 3.02Å; S417-N420 PolarHBondContact O-N 3.37Å; S417-V421 WeakPolarHBondContact O-CG2 3.42Å; S417-V421 PolarHBondContact O-N 3.22Å
418A63.3Low64.9Low24 Ų2467.6 Ų67.620%0.19836%0.362CS..Hα-helixtrans-67.7-40.9173.900000111.6F413 F414 C415 V421 H422F413-A418 HydrophobicContact CB-CB 4.22Å; F413-A418 HydrophobicContact CD1-CB 3.96Å; F413-A418 HydrophobicContact CG-CB 4.41Å; F414-A418 HydrophobicContact CE1-CB 4.23Å; F414-A418 HydrophobicContact CZ-CB 4.2Å; C415-A418 PolarHBondContact O-N 3.41Å; C415-A418 WeakPolarHBondContact SG-CB 3.16Å; C415-A418 PolarHBondContact SG-N 2.86Å; A418-V421 PolarHBondContact O-N 3.43Å; A418-H422 WeakPolarHBondContact O-CB 3.2Å; A418-H422 PolarHBondContact O-N 3.24Å
419L68.8Low64.5Low11 Ų1168.3 Ų68.36%0.05837%0.365CS..Hα-helixtrans-60.8-45.7172.5173.660.5000111.5E405 C406 F413 C415 Q416 V421 H422 R423E405-L419 WeakPolarHBondContact O-CD2 3.37Å; C406-L419 HydrophobicContact CB-CD1 3.58Å; F413-L419 HydrophobicContact CB-CB 4.17Å; F413-L419 HydrophobicContact CD2-CB 3.88Å; F413-L419 HydrophobicContact CD2-CD1 3.65Å; F413-L419 HydrophobicContact CD2-CG 4.35Å; F413-L419 HydrophobicContact CE2-CD1 3.85Å; F413-L419 HydrophobicContact CG-CB 4.13Å; C415-L419 PolarHBondContact O-N 3.33Å; Q416-L419 PolarHBondContact O-N 2.96Å; L419-V421 PolarHBondContact O-N 3.18Å; L419-H422 CarbonylContact O-C 3.58Å; L419-H422 WeakPolarHBondContact O-CA 3.42Å; L419-H422 WeakPolarHBondContact O-CB 3.5Å; L419-H422 PolarHBondContact O-N 3.1Å; L419-H422 VanDerWaalsContact O-N 3.11Å; L419-R423 HydrophobicContact CD1-CG 4.18Å; L419-R423 WeakPolarHBondContact O-CG 3.49Å; L419-R423 PolarHBondContact O-N 3.24Å
420N67.4Low64.5Low68 Ų6872 Ų7236%0.36438%0.376SS..Hα-helixtrans-62.9-40179.6-70.8-7.3000112.4Q416 S417 H422 R423Q416-N420 PolarHBondContact NE2-OD1 3.13Å; Q416-N420 WeakPolarHBondContact O-CB 3.23Å; Q416-N420 PolarHBondContact O-N 2.82Å; Q416-N420 PolarHBondContact O-OD1 2.75Å; S417-N420 PolarHBondContact O-N 3.37Å; N420-H422 VanDerWaalsContact C-N 3.32Å; N420-R423 PolarHBondContact O-N 3.12Å
421V65.2Low64.7Low59 Ų5968.3 Ų68.336%0.35837%0.366SS..Hα-helixtrans-66.6-37.8173.71710000110.9S417 A418 L419 R424 T443S417-V421 WeakPolarHBondContact O-CG2 3.42Å; S417-V421 PolarHBondContact O-N 3.22Å; A418-V421 PolarHBondContact O-N 3.43Å; L419-V421 PolarHBondContact O-N 3.18Å; V421-R424 WeakPolarHBondContact O-CB 3.38Å; V421-R424 PolarHBondContact O-N 2.88Å; V421-T443 HydrophobicContact CB-CG2 4.46Å; V421-T443 HydrophobicContact CG1-CG2 3.49Å; V421-T443 VanDerWaalsContact CG1-CG2 3.49Å; V421-T443 HydrophobicContact CG2-CG2 4.04Å
422H69.9Low65.2Low23 Ų2366 Ų6611%0.10635%0.354CS..Hα-helixtrans-66.2-40.9175.717056.5000112.5C409 F413 A418 L419 N420 R424 S425 H426C409-H422 PolarHBondContact SG-NE2 3.06Å; F413-H422 HydrophobicContact CE1-CB 3.68Å; F413-H422 AromaticContact CE1-CG 3.93Å; F413-H422 HydrophobicContact CE2-CB 3.87Å; F413-H422 AromaticContact CE2-CD2 3.2Å; F413-H422 WeakPolarHBondContact CE2-CD2 3.3Å; F413-H422 AromaticContact CE2-CG 3.63Å; F413-H422 AromaticContact CE2-NE2 4Å; F413-H422 HydrophobicContact CZ-CB 3.31Å; F413-H422 AromaticContact CZ-CD2 3.16Å; F413-H422 WeakPolarHBondContact CZ-CD2 3.43Å; F413-H422 AromaticContact CZ-CG 3.1Å; F413-H422 AromaticContact CZ-ND1 3.84Å; F413-H422 AromaticContact CZ-NE2 3.87Å; A418-H422 WeakPolarHBondContact O-CB 3.2Å; A418-H422 PolarHBondContact O-N 3.24Å; L419-H422 CarbonylContact O-C 3.58Å; L419-H422 WeakPolarHBondContact O-CA 3.42Å; L419-H422 WeakPolarHBondContact O-CB 3.5Å; L419-H422 PolarHBondContact O-N 3.1Å; L419-H422 VanDerWaalsContact O-N 3.11Å; N420-H422 VanDerWaalsContact C-N 3.32Å; H422-R424 PolarHBondContact O-N 2.79Å; H422-R424 VanDerWaalsContact O-N 3.11Å; H422-S425 PolarHBondContact ND1-OG 2.93Å; H422-S425 WeakPolarHBondContact O-CB 3.34Å; H422-S425 PolarHBondContact O-N 3.05Å; H422-S425 PolarHBondContact O-OG 3.1Å; H422-H426 AromaticContact CE1-CE1 3.79Å; H422-H426 AromaticContact CE1-NE2 3.5Å; H422-H426 PolarHBondContact CE1-NE2 3.14Å; H422-H426 AromaticContact NE2-CE1 3.84Å; H422-H426 AromaticContact NE2-NE2 3.15Å; H422-H426 PolarHBondContact NE2-NE2 3.12Å; H422-H426 VanDerWaalsContact NE2-NE2 3.15Å
423R67.7Low65.7Low107 Ų10768.4 Ų68.440%0.40436%0.361SS..Hα-helixtrans-56.6-30.3177.5-74.7-177.265.9-127.4-5.4112.9L419 N420 S425 H426 T427L419-R423 HydrophobicContact CD1-CG 4.18Å; L419-R423 WeakPolarHBondContact O-CG 3.49Å; L419-R423 PolarHBondContact O-N 3.24Å; N420-R423 PolarHBondContact O-N 3.12Å; R423-S425 PolarHBondContact O-N 3.5Å; R423-S425 VanDerWaalsContact O-N 3.16Å; R423-H426 PolarHBondContact O-N 2.94Å; R423-T427 PolarHBondContact O-N 3.22Å; R423-T427 VanDerWaalsContact O-N 3.12Å
424R73Confident65.8Low59 Ų5966.6 Ų66.622%0.22335%0.353CS..Hα-helixtrans-62.7-18.1173-63177.8-177.1165.20.1114.1V421 H422 H426 G428 E429 C442V421-R424 WeakPolarHBondContact O-CB 3.38Å; V421-R424 PolarHBondContact O-N 2.88Å; H422-R424 PolarHBondContact O-N 2.79Å; H422-R424 VanDerWaalsContact O-N 3.11Å; R424-H426 VanDerWaalsContact C-N 3.31Å; R424-G428 WeakPolarHBondContact O-CA 3.42Å; R424-G428 PolarHBondContact O-N 3.01Å; R424-G428 VanDerWaalsContact O-N 3.12Å; R424-E429 HydrophobicContact CG-CB 4.33Å; R424-C442 PolarHBondContact NH1-O 2.8Å
425S63.8Low66.6Low80 Ų8066.5 Ų66.556%0.55937%0.366SS*.Hα-helixtrans-75.6-21.6172.172.10000113.3H422 R423H422-S425 PolarHBondContact ND1-OG 2.93Å; H422-S425 WeakPolarHBondContact O-CB 3.34Å; H422-S425 PolarHBondContact O-N 3.05Å; H422-S425 PolarHBondContact O-OG 3.1Å; R423-S425 PolarHBondContact O-N 3.5Å; R423-S425 VanDerWaalsContact O-N 3.16Å
426H64.4Low66.8Low70 Ų7072.3 Ų72.332%0.32439%0.391SS..Hα-helixtrans-91.2-44.4176.3-55.8-49.2000111.3C406 E408 C409 H422 R423 R424 G428C406-H426 PolarHBondContact SG-NE2 3.35Å; E408-H426 WeakPolarHBondContact OE2-CB 3.38Å; E408-H426 IonicContact OE2-CD2 2.9Å; E408-H426 PolarHBondContact OE2-CD2 3.14Å; E408-H426 IonicContact OE2-CG 3.94Å; E408-H426 VanDerWaalsContact OE2-CG 3.31Å; C409-H426 PolarHBondContact SG-CE1 2.91Å; C409-H426 PolarHBondContact SG-NE2 3.4Å; H422-H426 AromaticContact CE1-CE1 3.79Å; H422-H426 AromaticContact CE1-NE2 3.5Å; H422-H426 PolarHBondContact CE1-NE2 3.14Å; H422-H426 AromaticContact NE2-CE1 3.84Å; H422-H426 AromaticContact NE2-NE2 3.15Å; H422-H426 PolarHBondContact NE2-NE2 3.12Å; H422-H426 VanDerWaalsContact NE2-NE2 3.15Å; R423-H426 PolarHBondContact O-N 2.94Å; R424-H426 VanDerWaalsContact C-N 3.31Å; H426-G428 VanDerWaalsContact C-N 3.26Å; H426-G428 PolarHBondContact O-N 3.5Å
427T63.7Low66.9Low67 Ų6771.3 Ų71.341%0.41139%0.392SS..Hα-helixtrans-76-13.2178.863.20000113.5R423 E429R423-T427 PolarHBondContact O-N 3.22Å; R423-T427 VanDerWaalsContact O-N 3.12Å; T427-E429 PolarHBondContact O-N 3.5Å; T427-E429 VanDerWaalsContact O-N 3.13Å; T427-E429 WeakPolarHBondContact OG1-CG 3.37Å
428G61.8Low66.9Low50 Ų5069.1 Ų69.152%0.51538%0.382SS..  trans701.7-175.900000114.3R424 H426 K430R424-G428 WeakPolarHBondContact O-CA 3.42Å; R424-G428 PolarHBondContact O-N 3.01Å; R424-G428 VanDerWaalsContact O-N 3.12Å; H426-G428 VanDerWaalsContact C-N 3.26Å; H426-G428 PolarHBondContact O-N 3.5Å; G428-K430 PolarHBondContact O-N 3.31Å
429E63.2Low66.7Low112 Ų11273.3 Ų73.352%0.52340%0.396SS..  trans-59.4120.8-179.7-75.9178.2-169.300111.3R424 T427 P431R424-E429 HydrophobicContact CG-CB 4.33Å; T427-E429 PolarHBondContact O-N 3.5Å; T427-E429 VanDerWaalsContact O-N 3.13Å; T427-E429 WeakPolarHBondContact OG1-CG 3.37Å; E429-P431 WeakPolarHBondContact O-CD 3.32Å
430K68.7Low66.1Low119 Ų11977.8 Ų77.852%0.51742%0.416SS..  trans-123.378.7174.5-68.8170.3-176.2172.10109.2G428 Y432 F440 L441G428-K430 PolarHBondContact O-N 3.31Å; K430-Y432 PolarHBondContact O-N 2.77Å; K430-F440 HydrophobicContact CB-CB 3.56Å; K430-F440 HydrophobicContact CD-CB 4.03Å; K430-F440 HydrophobicContact CG-CB 4.46Å; K430-F440 WeakPolarHBondContact O-CD1 3.44Å; K430-L441 CarbonylContact C-O 3.58Å; K430-L441 VanDerWaalsContact C-O 3.29Å; K430-L441 WeakPolarHBondContact CA-O 3.47Å
431P70.9Confident66.2Low74 Ų7475.9 Ų75.948%0.48141%0.405SS..  trans-69.6-9-168.6-18.832.4000114.7E429E429-P431 WeakPolarHBondContact O-CD 3.32Å
432Y72.3Confident65.8Low70 Ų7075.6 Ų75.628%0.27541%0.405SS..EExtended strand (participates in β ladder)trans-109.899.8-172.1-58.4-75.8000110K430 F440 L441 K444K430-Y432 PolarHBondContact O-N 2.77Å; Y432-F440 CarbonylContact O-C 3.55Å; Y432-F440 WeakPolarHBondContact O-CA 3.4Å; Y432-L441 WeakPolarHBondContact CB-O 3.36Å; Y432-L441 WeakPolarHBondContact CD2-O 3.44Å; Y432-L441 PolarHBondContact N-O 3.5Å; Y432-L441 VanDerWaalsContact N-O 3.15Å; Y432-L441 PolarHBondContact O-N 3.34Å; Y432-K444 HydrophobicContact CD1-CB 4.15Å; Y432-K444 HydrophobicContact CE1-CB 3.79Å; Y432-K444 HydrophobicContact CE1-CG 4.37Å
433E68.3Low65.4Low106 Ų10676 Ų7650%0.49541%0.409SS..EExtended strand (participates in β ladder)trans-84.3138.2175.5-170.1178.1172.700111.5F440E433-F440 HydrophobicContact CB-CD1 3.87Å; E433-F440 HydrophobicContact CB-CE1 3.65Å; E433-F440 HydrophobicContact CB-CZ 4.28Å; E433-F440 HydrophobicContact CG-CD1 4.13Å; E433-F440 HydrophobicContact CG-CE1 3.7Å; E433-F440 HydrophobicContact CG-CE2 4.34Å; E433-F440 HydrophobicContact CG-CZ 3.81Å
434C69.4Low65.2Low0 Ų077.3 Ų77.30%042%0.418CS..  trans-85.4110.5168.4-169.20000110.8Q436 C437 G438 K439 L447 H450 H454C434-Q436 PolarHBondContact O-N 3.41Å; C434-C437 PolarHBondContact O-N 2.85Å; C434-G438 WeakPolarHBondContact O-CA 3.23Å; C434-G438 PolarHBondContact O-N 3.41Å; C434-K439 HydrophobicContact CB-CB 4.39Å; C434-K439 WeakPolarHBondContact CB-O 3.49Å; C434-K439 PolarHBondContact N-O 3.28Å; C434-L447 HydrophobicContact CB-CD1 3.73Å; C434-H450 VanDerWaalsContact SG-CD2 3.59Å; C434-H454 PolarHBondContact SG-CD2 3.4Å; C434-H454 PolarHBondContact SG-NE2 3.25Å
435S72.4Confident64.6Low105 Ų10578.9 Ų78.973%0.73444%0.438SS*.THydrogen-bonded Turntrans-58.3-16.5177.354.40000115.3
436Q63.2Low64.6Low148 Ų14876.7 Ų76.769%0.69242%0.424SS*.THydrogen-bonded Turntrans-92.1-26.8-178.2-70.2-89.5-2900113.4C434 H454C434-Q436 PolarHBondContact O-N 3.41Å; Q436-H454 HydrophobicContact CB-CB 4.34Å; Q436-H454 HydrophobicContact CG-CB 4.48Å
437C65Low64.6Low64 Ų6474.2 Ų74.243%0.43241%0.414SS..THydrogen-bonded Turntrans-143.111.6-175.678.90000114.2C434 K439 H450 H454C434-C437 PolarHBondContact O-N 2.85Å; C437-K439 PolarHBondContact O-N 3.46Å; C437-K439 WeakPolarHBondContact SG-CB 3.41Å; C437-H450 PolarHBondContact SG-NE2 3.15Å; C437-H454 VanDerWaalsContact CB-CE1 3.42Å; C437-H454 WeakPolarHBondContact CB-CE1 3.22Å; C437-H454 PolarHBondContact SG-CE1 3.13Å; C437-H454 PolarHBondContact SG-NE2 3.49Å
438G62.9Low64.5Low35 Ų3575 Ų7536%0.36141%0.414SS..  trans63.112.4-179.900000114.9C434 F440C434-G438 WeakPolarHBondContact O-CA 3.23Å; C434-G438 PolarHBondContact O-N 3.41Å; G438-F440 VanDerWaalsContact O-CD2 3.27Å; G438-F440 WeakPolarHBondContact O-CD2 3.37Å; G438-F440 WeakPolarHBondContact O-CE2 3.44Å; G438-F440 PolarHBondContact O-N 2.98Å
439K57.8Low64.4Low113 Ų11373.5 Ų73.549%0.49140%0.397SS..  trans-80.3120.4-175.5-172.4174.8-174.5172.80110.9C434 C437C434-K439 HydrophobicContact CB-CB 4.39Å; C434-K439 WeakPolarHBondContact CB-O 3.49Å; C434-K439 PolarHBondContact N-O 3.28Å; C437-K439 PolarHBondContact O-N 3.46Å; C437-K439 WeakPolarHBondContact SG-CB 3.41Å
440F57.2Low64.4Low105 Ų10569.5 Ų69.546%0.46138%0.378SS..EExtended strand (participates in β ladder)trans-82.3135175.7-64-89.3000112.2K430 Y432 E433 G438K430-F440 HydrophobicContact CB-CB 3.56Å; K430-F440 HydrophobicContact CD-CB 4.03Å; K430-F440 HydrophobicContact CG-CB 4.46Å; K430-F440 WeakPolarHBondContact O-CD1 3.44Å; Y432-F440 CarbonylContact O-C 3.55Å; Y432-F440 WeakPolarHBondContact O-CA 3.4Å; E433-F440 HydrophobicContact CB-CD1 3.87Å; E433-F440 HydrophobicContact CB-CE1 3.65Å; E433-F440 HydrophobicContact CB-CZ 4.28Å; E433-F440 HydrophobicContact CG-CD1 4.13Å; E433-F440 HydrophobicContact CG-CE1 3.7Å; E433-F440 HydrophobicContact CG-CE2 4.34Å; E433-F440 HydrophobicContact CG-CZ 3.81Å; G438-F440 VanDerWaalsContact O-CD2 3.27Å; G438-F440 WeakPolarHBondContact O-CD2 3.37Å; G438-F440 WeakPolarHBondContact O-CE2 3.44Å; G438-F440 PolarHBondContact O-N 2.98Å
441L68.9Low64.1Low28 Ų2866.8 Ų66.815%0.14737%0.368CS..EExtended strand (participates in β ladder)trans-130.4151.8-177.6-68.2164.3000111.4K430 Y432 A446 L447 H450K430-L441 CarbonylContact C-O 3.58Å; K430-L441 VanDerWaalsContact C-O 3.29Å; K430-L441 WeakPolarHBondContact CA-O 3.47Å; Y432-L441 WeakPolarHBondContact CB-O 3.36Å; Y432-L441 WeakPolarHBondContact CD2-O 3.44Å; Y432-L441 PolarHBondContact N-O 3.5Å; Y432-L441 VanDerWaalsContact N-O 3.15Å; Y432-L441 PolarHBondContact O-N 3.34Å; L441-A446 HydrophobicContact CB-CB 4.5Å; L441-A446 HydrophobicContact CD2-CB 4.5Å; L441-L447 VanDerWaalsContact CD1-CA 3.46Å; L441-L447 HydrophobicContact CD1-CB 4.08Å; L441-L447 HydrophobicContact CD1-CD1 4.05Å; L441-H450 HydrophobicContact CD1-CB 3.5Å
442C56.6Low63.7Low52 Ų5265.6 Ų65.635%0.35136%0.357SS..SBendtrans-84.8-15.8-173.859.50000114.2R424R424-C442 PolarHBondContact NH1-O 2.8Å
443T63.1Low62.9Low32 Ų3266.3 Ų66.320%0.19637%0.369CS..SBendtrans-139.1147.1179.664.80000112.2V421 S445 A446 L447V421-T443 HydrophobicContact CB-CG2 4.46Å; V421-T443 HydrophobicContact CG1-CG2 3.49Å; V421-T443 VanDerWaalsContact CG1-CG2 3.49Å; V421-T443 HydrophobicContact CG2-CG2 4.04Å; T443-S445 VanDerWaalsContact C-N 3.28Å; T443-S445 PolarHBondContact O-N 3.46Å; T443-A446 PolarHBondContact O-N 3.05Å; T443-A446 WeakPolarHBondContact OG1-CB 3.47Å; T443-A446 PolarHBondContact OG1-N 3.45Å; T443-L447 PolarHBondContact O-N 3.44Å
444K62.4Low62.5Low134 Ų13464.5 Ų64.558%0.58336%0.36SS*.Hα-helixtrans-59.8-37.3175.6-170.5173.7-178.9174.10112.2Y432 L447 I448Y432-K444 HydrophobicContact CD1-CB 4.15Å; Y432-K444 HydrophobicContact CE1-CB 3.79Å; Y432-K444 HydrophobicContact CE1-CG 4.37Å; K444-L447 PolarHBondContact O-N 3.35Å; K444-I448 HydrophobicContact CG-CD1 4.1Å; K444-I448 WeakPolarHBondContact O-CG1 3.27Å; K444-I448 PolarHBondContact O-N 3.36Å
445S59.8Low61.9Low93 Ų9374.7 Ų74.765%0.6540%0.398SS*.Hα-helixtrans-64.8-38.7176.7-46.20000112.4T443 A449T443-S445 VanDerWaalsContact C-N 3.28Å; T443-S445 PolarHBondContact O-N 3.46Å; S445-A449 WeakPolarHBondContact O-CB 3.35Å; S445-A449 PolarHBondContact O-N 3.26Å
446A63.8Low60.8Low33 Ų3372.4 Ų72.427%0.27339%0.391SS..Hα-helixtrans-68.1-37.3173.300000111.6L441 T443 A449 H450L441-A446 HydrophobicContact CB-CB 4.5Å; L441-A446 HydrophobicContact CD2-CB 4.5Å; T443-A446 PolarHBondContact O-N 3.05Å; T443-A446 WeakPolarHBondContact OG1-CB 3.47Å; T443-A446 PolarHBondContact OG1-N 3.45Å; A446-A449 PolarHBondContact O-N 2.94Å; A446-H450 WeakPolarHBondContact O-CB 3.11Å; A446-H450 PolarHBondContact O-N 3.11Å
447L64.6Low60.2Low19 Ų1973.1 Ų73.110%0.09939%0.392CS..Hα-helixtrans-63.1-46.9173.9177.163.7000112C434 L441 T443 K444 A449 H450 Q451C434-L447 HydrophobicContact CB-CD1 3.73Å; L441-L447 VanDerWaalsContact CD1-CA 3.46Å; L441-L447 HydrophobicContact CD1-CB 4.08Å; L441-L447 HydrophobicContact CD1-CD1 4.05Å; T443-L447 PolarHBondContact O-N 3.44Å; K444-L447 PolarHBondContact O-N 3.35Å; L447-A449 VanDerWaalsContact C-N 3.34Å; L447-A449 PolarHBondContact O-N 2.76Å; L447-H450 CarbonylContact O-C 3.6Å; L447-H450 PolarHBondContact O-N 3.42Å; L447-Q451 HydrophobicContact CD1-CG 4.02Å; L447-Q451 HydrophobicContact CG-CG 4.31Å; L447-Q451 WeakPolarHBondContact O-CB 3.46Å; L447-Q451 VanDerWaalsContact O-CG 3.3Å; L447-Q451 WeakPolarHBondContact O-CG 3.19Å; L447-Q451 PolarHBondContact O-N 3.46Å
448I63.3Low59.5Low82 Ų8276.4 Ų76.442%0.42140%0.399SS..Hα-helixtrans-60.7-45.4176.2-66.7165000110.1K444 H450 Q451 I452K444-I448 HydrophobicContact CG-CD1 4.1Å; K444-I448 WeakPolarHBondContact O-CG1 3.27Å; K444-I448 PolarHBondContact O-N 3.36Å; I448-H450 VanDerWaalsContact C-N 3.28Å; I448-H450 PolarHBondContact O-N 2.85Å; I448-Q451 PolarHBondContact O-N 2.98Å; I448-I452 HydrophobicContact CG2-CD1 4.18Å; I448-I452 WeakPolarHBondContact O-CD1 3.36Å; I448-I452 VanDerWaalsContact O-CG1 3.27Å; I448-I452 WeakPolarHBondContact O-CG1 3.32Å; I448-I452 PolarHBondContact O-N 3.15Å
449A58.4Low59Low19 Ų1977.8 Ų77.816%0.15740%0.403CS..Hα-helixtrans-59.8-39.417600000112.4S445 A446 L447S445-A449 WeakPolarHBondContact O-CB 3.35Å; S445-A449 PolarHBondContact O-N 3.26Å; A446-A449 PolarHBondContact O-N 2.94Å; L447-A449 VanDerWaalsContact C-N 3.34Å; L447-A449 PolarHBondContact O-N 2.76Å
450H63.8Low59Low28 Ų2876.7 Ų76.713%0.1340%0.396CS..Hα-helixtrans-72.5-38.3177175.653.5000112.6C434 C437 L441 A446 L447 I448 I452 T453 H454C434-H450 VanDerWaalsContact SG-CD2 3.59Å; C437-H450 PolarHBondContact SG-NE2 3.15Å; L441-H450 HydrophobicContact CD1-CB 3.5Å; A446-H450 WeakPolarHBondContact O-CB 3.11Å; A446-H450 PolarHBondContact O-N 3.11Å; L447-H450 CarbonylContact O-C 3.6Å; L447-H450 PolarHBondContact O-N 3.42Å; I448-H450 VanDerWaalsContact C-N 3.28Å; I448-H450 PolarHBondContact O-N 2.85Å; H450-I452 PolarHBondContact O-N 2.78Å; H450-T453 PolarHBondContact ND1-OG1 3.02Å; H450-T453 WeakPolarHBondContact O-CA 3.38Å; H450-T453 WeakPolarHBondContact O-CB 3.41Å; H450-T453 PolarHBondContact O-N 3.28Å; H450-T453 PolarHBondContact O-OG1 3.29Å; H450-H454 AromaticContact CD2-NE2 3.79Å; H450-H454 AromaticContact CE1-CE1 3.67Å; H450-H454 AromaticContact CE1-NE2 3.19Å; H450-H454 PolarHBondContact CE1-NE2 3.29Å; H450-H454 AromaticContact ND1-NE2 3.98Å; H450-H454 AromaticContact NE2-CD2 3.99Å; H450-H454 AromaticContact NE2-CE1 3.88Å; H450-H454 AromaticContact NE2-NE2 3.06Å; H450-H454 PolarHBondContact NE2-NE2 3.42Å; H450-H454 PolarHBondContact O-N 3.15Å
451Q61.5Low58.6Low63 Ų6376.1 Ų76.129%0.29440%0.395SS..Hα-helixtrans-63.9-31.5174.5-74.9171.5-24.500112.2L447 I448 T453 H454 R455L447-Q451 HydrophobicContact CD1-CG 4.02Å; L447-Q451 HydrophobicContact CG-CG 4.31Å; L447-Q451 WeakPolarHBondContact O-CB 3.46Å; L447-Q451 VanDerWaalsContact O-CG 3.3Å; L447-Q451 WeakPolarHBondContact O-CG 3.19Å; L447-Q451 PolarHBondContact O-N 3.46Å; I448-Q451 PolarHBondContact O-N 2.98Å; Q451-T453 PolarHBondContact O-N 2.81Å; Q451-H454 PolarHBondContact O-N 3.06Å; Q451-R455 PolarHBondContact O-N 3.36Å
452I62.2Low58Low48 Ų4874.9 Ų74.925%0.24639%0.389CS..Hα-helixtrans-64-29.4171.5-66.4162.9000111.2I448 H450I448-I452 HydrophobicContact CG2-CD1 4.18Å; I448-I452 WeakPolarHBondContact O-CD1 3.36Å; I448-I452 VanDerWaalsContact O-CG1 3.27Å; I448-I452 WeakPolarHBondContact O-CG1 3.32Å; I448-I452 PolarHBondContact O-N 3.15Å; H450-I452 PolarHBondContact O-N 2.78Å
453T57.5Low58.4Low86 Ų8679.3 Ų79.353%0.52841%0.409SS..Hα-helixtrans-70-29.9175.468.30000113.3H450 Q451H450-T453 PolarHBondContact ND1-OG1 3.02Å; H450-T453 WeakPolarHBondContact O-CA 3.38Å; H450-T453 WeakPolarHBondContact O-CB 3.41Å; H450-T453 PolarHBondContact O-N 3.28Å; H450-T453 PolarHBondContact O-OG1 3.29Å; Q451-T453 PolarHBondContact O-N 2.81Å
454H58.5Low57.9Low68 Ų6883.3 Ų83.332%0.31543%0.425SS..Hα-helixtrans-74.4-36.1175.9-66-53.5000112.9C434 Q436 C437 H450 Q451 G456C434-H454 PolarHBondContact SG-CD2 3.4Å; C434-H454 PolarHBondContact SG-NE2 3.25Å; Q436-H454 HydrophobicContact CB-CB 4.34Å; Q436-H454 HydrophobicContact CG-CB 4.48Å; C437-H454 VanDerWaalsContact CB-CE1 3.42Å; C437-H454 WeakPolarHBondContact CB-CE1 3.22Å; C437-H454 PolarHBondContact SG-CE1 3.13Å; C437-H454 PolarHBondContact SG-NE2 3.49Å; H450-H454 AromaticContact CD2-NE2 3.79Å; H450-H454 AromaticContact CE1-CE1 3.67Å; H450-H454 AromaticContact CE1-NE2 3.19Å; H450-H454 PolarHBondContact CE1-NE2 3.29Å; H450-H454 AromaticContact ND1-NE2 3.98Å; H450-H454 AromaticContact NE2-CD2 3.99Å; H450-H454 AromaticContact NE2-CE1 3.88Å; H450-H454 AromaticContact NE2-NE2 3.06Å; H450-H454 PolarHBondContact NE2-NE2 3.42Å; H450-H454 PolarHBondContact O-N 3.15Å; Q451-H454 PolarHBondContact O-N 3.06Å; H454-G456 PolarHBondContact O-N 2.9Å
455R56.2Low57.4Low214 Ų21479.5 Ų79.581%0.80842%0.415SS*.THydrogen-bonded Turntrans-72.6-5.6-179.3-72-175.2175.1-171.2-2.7114Q451 K457Q451-R455 PolarHBondContact O-N 3.36Å; R455-K457 HydrophobicContact CB-CB 4.48Å; R455-K457 PolarHBondContact O-N 2.83Å
456G51.2Low56.8Low56 Ų5676.6 Ų76.658%0.57740%0.4SS*.  trans60.5-5.1-17500000115.1H454 K458H454-G456 PolarHBondContact O-N 2.9Å; G456-K458 PolarHBondContact O-N 3.04Å
457K49.5Very low55.9Low164 Ų16480.1 Ų80.171%0.71341%0.409SS*.  trans-84.169.7-173.8-144.8172.8-170.7175.80110.3R455 S459R455-K457 HydrophobicContact CB-CB 4.48Å; R455-K457 PolarHBondContact O-N 2.83Å; K457-S459 VanDerWaalsContact C-N 3.3Å; K457-S459 PolarHBondContact O-N 3.5Å; K457-S459 PolarHBondContact O-OG 3.15Å
458K51.3Low55Low132 Ų13283 Ų8357%0.57442%0.421SS*.  trans-20.286.1139.9-84.5175.9164.7-174.90112.3G456 F468G456-K458 PolarHBondContact O-N 3.04Å; K458-F468 HydrophobicContact CB-CB 3.38Å; K458-F468 HydrophobicContact CB-CD1 3.56Å; K458-F468 HydrophobicContact CB-CE1 4.43Å; K458-F468 HydrophobicContact CB-CG 3.59Å; K458-F468 HydrophobicContact CD-CB 3.42Å; K458-F468 VanDerWaalsContact CD-CB 3.42Å; K458-F468 HydrophobicContact CD-CD1 4.27Å; K458-F468 HydrophobicContact CD-CD2 3.71Å; K458-F468 HydrophobicContact CD-CG 3.56Å; K458-F468 HydrophobicContact CG-CB 3.29Å; K458-F468 HydrophobicContact CG-CD1 4.33Å; K458-F468 HydrophobicContact CG-CD2 4.48Å; K458-F468 HydrophobicContact CG-CG 3.83Å
459S51.5Low54.7Low64 Ų6480.9 Ų80.945%0.44841%0.409SS..  trans-87.4-18.4-164.9-24.90000113.6K457 F469K457-S459 VanDerWaalsContact C-N 3.3Å; K457-S459 PolarHBondContact O-N 3.5Å; K457-S459 PolarHBondContact O-OG 3.15Å; S459-F469 PolarHBondContact N-O 3.19Å
460Y57.2Low54Low90 Ų9082.5 Ų82.535%0.35342%0.418SS..EExtended strand (participates in β ladder)trans-125.492.5-174-64.1-75.9000108.9F468 F469 K472 L475Y460-F468 CarbonylContact O-C 3.22Å; Y460-F468 WeakPolarHBondContact O-CA 3.41Å; Y460-F469 PolarHBondContact N-O 3.19Å; Y460-F469 PolarHBondContact O-N 3.07Å; Y460-K472 HydrophobicContact CD1-CB 3.95Å; Y460-K472 HydrophobicContact CD1-CG 4.28Å; Y460-K472 HydrophobicContact CE1-CB 3.63Å; Y460-K472 HydrophobicContact CE1-CD 4.31Å; Y460-K472 HydrophobicContact CE1-CG 4.11Å; Y460-K472 HydrophobicContact CE2-CB 4.41Å; Y460-K472 HydrophobicContact CG-CB 4.46Å; Y460-L475 HydrophobicContact CD1-CD2 4.3Å; Y460-L475 HydrophobicContact CG-CD2 4.4Å
461E49.3Very low53.5Low94 Ų9484.9 Ų84.944%0.43943%0.429SS..EExtended strand (participates in β ladder)trans-78.9137.3173.3-170.7169.8-177.800110.2N463 F468E461-N463 PolarHBondContact O-N 3.45Å; E461-F468 HydrophobicContact CB-CD1 3.69Å; E461-F468 HydrophobicContact CB-CE1 3.58Å; E461-F468 HydrophobicContact CB-CZ 4.35Å; E461-F468 VanDerWaalsContact CD-CZ 3.48Å; E461-F468 HydrophobicContact CG-CD1 3.98Å; E461-F468 HydrophobicContact CG-CE1 3.62Å; E461-F468 HydrophobicContact CG-CE2 4.46Å; E461-F468 HydrophobicContact CG-CZ 3.88Å; E461-F468 WeakPolarHBondContact OE2-CE1 3.25Å
462C57.3Low53.2Low1 Ų188.4 Ų88.41%0.00744%0.444CS..  trans-82.4111.4166.7-173.30000109.7E464 C465 G466 K467 F469 L475 H478 H482C462-E464 PolarHBondContact O-N 3.44Å; C462-C465 PolarHBondContact O-N 2.86Å; C462-G466 WeakPolarHBondContact O-CA 3.45Å; C462-G466 PolarHBondContact O-N 2.8Å; C462-K467 WeakPolarHBondContact CB-O 3.41Å; C462-K467 PolarHBondContact N-O 2.86Å; C462-F469 HydrophobicContact CB-CE2 4.36Å; C462-L475 HydrophobicContact CB-CD1 3.61Å; C462-H478 VanDerWaalsContact CB-CD2 3.41Å; C462-H478 WeakPolarHBondContact CB-CD2 3.48Å; C462-H478 VanDerWaalsContact CB-NE2 3.31Å; C462-H478 WeakPolarHBondContact CB-NE2 3.36Å; C462-H478 VanDerWaalsContact SG-CD2 3.5Å; C462-H478 PolarHBondContact SG-NE2 3.11Å; C462-H478 VanDerWaalsContact SG-NE2 3.36Å; C462-H482 PolarHBondContact SG-CD2 3.3Å; C462-H482 PolarHBondContact SG-NE2 3.32Å
463N63.4Low52.4Low145 Ų14589.8 Ų89.878%0.77546%0.458SS*.THydrogen-bonded Turntrans-56.5-22.1179.6-58.3-9000113.6E461E461-N463 PolarHBondContact O-N 3.45Å
464E53.2Low52Low116 Ų11688.4 Ų88.454%0.54245%0.449SS..THydrogen-bonded Turntrans-94.4-22-176-64.1-173.4-121.700114.1C462 H482C462-E464 PolarHBondContact O-N 3.44Å; E464-H482 HydrophobicContact CB-CB 3.9Å; E464-H482 HydrophobicContact CG-CB 4.21Å; E464-H482 WeakPolarHBondContact OE2-CB 3.29Å; E464-H482 IonicContact OE2-CG 3.71Å
465C53Low51.8Low54 Ų5485.7 Ų85.737%0.36544%0.437SS..THydrogen-bonded Turntrans-140.910.3179.183.60000115.4C462 K467 H478 H482C462-C465 PolarHBondContact O-N 2.86Å; C465-K467 PolarHBondContact O-N 3.3Å; C465-K467 VanDerWaalsContact SG-CG 3.55Å; C465-H478 PolarHBondContact SG-CE1 3.47Å; C465-H478 PolarHBondContact SG-NE2 3.37Å; C465-H482 VanDerWaalsContact CB-CE1 3.43Å; C465-H482 WeakPolarHBondContact CB-CE1 3.4Å; C465-H482 PolarHBondContact SG-CE1 3.23Å; C465-H482 PolarHBondContact SG-NE2 3.13Å
466G46.2Very low51.7Low33 Ų3377.7 Ų77.734%0.3441%0.412SS..  trans6214.3177.300000114.7C462 F468C462-G466 WeakPolarHBondContact O-CA 3.45Å; C462-G466 PolarHBondContact O-N 2.8Å; G466-F468 WeakPolarHBondContact O-CD2 3.44Å; G466-F468 WeakPolarHBondContact O-CE2 2.89Å
467K45Very low51.7Low106 Ų10680.1 Ų80.146%0.46141%0.411SS..  trans-81137.6177.5-77.9-179.8-174.8169.70109.7C462 C465 F469C462-K467 WeakPolarHBondContact CB-O 3.41Å; C462-K467 PolarHBondContact N-O 2.86Å; C465-K467 PolarHBondContact O-N 3.3Å; C465-K467 VanDerWaalsContact SG-CG 3.55Å; K467-F469 HydrophobicContact CB-CE2 3.68Å; K467-F469 HydrophobicContact CB-CZ 3.96Å; K467-F469 WeakPolarHBondContact O-CD2 3.42Å; K467-F469 WeakPolarHBondContact O-CE2 3.46Å
468F46.3Very low51.9Low80 Ų8073.3 Ų73.335%0.35138%0.381SS..EExtended strand (participates in β ladder)trans-108.2139.6-176.3-63.9-93000112.5K458 Y460 E461 G466K458-F468 HydrophobicContact CB-CB 3.38Å; K458-F468 HydrophobicContact CB-CD1 3.56Å; K458-F468 HydrophobicContact CB-CE1 4.43Å; K458-F468 HydrophobicContact CB-CG 3.59Å; K458-F468 HydrophobicContact CD-CB 3.42Å; K458-F468 VanDerWaalsContact CD-CB 3.42Å; K458-F468 HydrophobicContact CD-CD1 4.27Å; K458-F468 HydrophobicContact CD-CD2 3.71Å; K458-F468 HydrophobicContact CD-CG 3.56Å; K458-F468 HydrophobicContact CG-CB 3.29Å; K458-F468 HydrophobicContact CG-CD1 4.33Å; K458-F468 HydrophobicContact CG-CD2 4.48Å; K458-F468 HydrophobicContact CG-CG 3.83Å; Y460-F468 CarbonylContact O-C 3.22Å; Y460-F468 WeakPolarHBondContact O-CA 3.41Å; E461-F468 HydrophobicContact CB-CD1 3.69Å; E461-F468 HydrophobicContact CB-CE1 3.58Å; E461-F468 HydrophobicContact CB-CZ 4.35Å; E461-F468 VanDerWaalsContact CD-CZ 3.48Å; E461-F468 HydrophobicContact CG-CD1 3.98Å; E461-F468 HydrophobicContact CG-CE1 3.62Å; E461-F468 HydrophobicContact CG-CE2 4.46Å; E461-F468 HydrophobicContact CG-CZ 3.88Å; E461-F468 WeakPolarHBondContact OE2-CE1 3.25Å; G466-F468 WeakPolarHBondContact O-CD2 3.44Å; G466-F468 WeakPolarHBondContact O-CE2 2.89Å
469F56.9Low51.9Low37 Ų3769.9 Ų69.916%0.16237%0.367CS..EExtended strand (participates in β ladder)trans-125149.6-177.4-59.9-90.9000110.7S459 Y460 C462 K467 H471 T474 L475 H478S459-F469 PolarHBondContact N-O 3.19Å; Y460-F469 PolarHBondContact N-O 3.19Å; Y460-F469 PolarHBondContact O-N 3.07Å; C462-F469 HydrophobicContact CB-CE2 4.36Å; K467-F469 HydrophobicContact CB-CE2 3.68Å; K467-F469 HydrophobicContact CB-CZ 3.96Å; K467-F469 WeakPolarHBondContact O-CD2 3.42Å; K467-F469 WeakPolarHBondContact O-CE2 3.46Å; F469-H471 VanDerWaalsContact C-N 3.33Å; F469-T474 HydrophobicContact CD1-CG2 3.58Å; F469-T474 HydrophobicContact CE1-CG2 4.14Å; F469-L475 HydrophobicContact CB-CB 4.1Å; F469-L475 HydrophobicContact CD2-CB 4.04Å; F469-L475 HydrophobicContact CD2-CD1 3.66Å; F469-L475 HydrophobicContact CD2-CG 4.47Å; F469-L475 HydrophobicContact CE2-CD1 4.04Å; F469-L475 HydrophobicContact CG-CB 4.19Å; F469-H478 HydrophobicContact CE1-CB 3.9Å; F469-H478 HydrophobicContact CE2-CB 3.89Å; F469-H478 AromaticContact CE2-CD2 3.05Å; F469-H478 WeakPolarHBondContact CE2-CD2 3.38Å; F469-H478 AromaticContact CE2-CG 3.47Å; F469-H478 VanDerWaalsContact CE2-CG 3.47Å; F469-H478 AromaticContact CE2-NE2 3.63Å; F469-H478 HydrophobicContact CZ-CB 3.46Å; F469-H478 VanDerWaalsContact CZ-CB 3.46Å; F469-H478 AromaticContact CZ-CD2 3.27Å; F469-H478 WeakPolarHBondContact CZ-CD2 3.48Å; F469-H478 AromaticContact CZ-CG 3.14Å; F469-H478 AromaticContact CZ-ND1 3.68Å; F469-H478 AromaticContact CZ-NE2 3.77Å
470C44Very low51.9Low53 Ų5374.4 Ų74.436%0.35838%0.375SS..SBendtrans-79.6-15.9175.452.90000113.2
471H52.9Low51.6Low78 Ų7874.3 Ų74.336%0.36138%0.383SS..SBendtrans-135.8141.6-179.2-64.1-71.7000111.9F469 S473 T474 L475F469-H471 VanDerWaalsContact C-N 3.33Å; H471-S473 VanDerWaalsContact C-N 3.29Å; H471-S473 PolarHBondContact O-N 3.15Å; H471-T474 PolarHBondContact O-N 3.21Å; H471-L475 PolarHBondContact O-N 3.06Å
472K53.7Low51.7Low137 Ų13772.4 Ų72.460%0.59638%0.375SS*.Hα-helixtrans-58.7-38.2172-167.8172.5-178.7173.90112.1Y460 T474 L475 T476Y460-K472 HydrophobicContact CD1-CB 3.95Å; Y460-K472 HydrophobicContact CD1-CG 4.28Å; Y460-K472 HydrophobicContact CE1-CB 3.63Å; Y460-K472 HydrophobicContact CE1-CD 4.31Å; Y460-K472 HydrophobicContact CE1-CG 4.11Å; Y460-K472 HydrophobicContact CE2-CB 4.41Å; Y460-K472 HydrophobicContact CG-CB 4.46Å; K472-T474 VanDerWaalsContact C-N 3.35Å; K472-T474 PolarHBondContact O-N 3.32Å; K472-L475 CarbonylContact O-C 3.52Å; K472-L475 PolarHBondContact O-N 3.44Å; K472-T476 WeakPolarHBondContact O-CB 3.36Å; K472-T476 PolarHBondContact O-N 2.86Å; K472-T476 PolarHBondContact O-OG1 3.33Å
473S47.2Very low51.3Low77 Ų7776.4 Ų76.454%0.53840%0.399SS..Hα-helixtrans-61.6-41.3177.551.70000112.6H471 T476 I477H471-S473 VanDerWaalsContact C-N 3.29Å; H471-S473 PolarHBondContact O-N 3.15Å; S473-T476 PolarHBondContact O-N 3.34Å; S473-I477 WeakPolarHBondContact O-CD1 3.4Å; S473-I477 VanDerWaalsContact O-CG1 3.25Å; S473-I477 WeakPolarHBondContact O-CG1 3.37Å; S473-I477 PolarHBondContact O-N 3.16Å
474T48.9Very low50.4Low57 Ų5772.7 Ų72.735%0.3540%0.395SS..Hα-helixtrans-71.1-38.7176-44.90000111.4F469 H471 K472 I477 H478F469-T474 HydrophobicContact CD1-CG2 3.58Å; F469-T474 HydrophobicContact CE1-CG2 4.14Å; H471-T474 PolarHBondContact O-N 3.21Å; K472-T474 VanDerWaalsContact C-N 3.35Å; K472-T474 PolarHBondContact O-N 3.32Å; T474-I477 PolarHBondContact O-N 2.82Å; T474-H478 WeakPolarHBondContact O-CB 3.47Å; T474-H478 PolarHBondContact O-N 2.96Å
475L53.3Low49.4Very low11 Ų1175 Ų756%0.05841%0.406CS..Hα-helixtrans-61-44.8170.8173.564.7000111.1Y460 C462 F469 H471 K472 I477 H478 Q479Y460-L475 HydrophobicContact CD1-CD2 4.3Å; Y460-L475 HydrophobicContact CG-CD2 4.4Å; C462-L475 HydrophobicContact CB-CD1 3.61Å; F469-L475 HydrophobicContact CB-CB 4.1Å; F469-L475 HydrophobicContact CD2-CB 4.04Å; F469-L475 HydrophobicContact CD2-CD1 3.66Å; F469-L475 HydrophobicContact CD2-CG 4.47Å; F469-L475 HydrophobicContact CE2-CD1 4.04Å; F469-L475 HydrophobicContact CG-CB 4.19Å; H471-L475 PolarHBondContact O-N 3.06Å; K472-L475 CarbonylContact O-C 3.52Å; K472-L475 PolarHBondContact O-N 3.44Å; L475-I477 PolarHBondContact O-N 3.12Å; L475-H478 CarbonylContact O-C 3.51Å; L475-H478 WeakPolarHBondContact O-CA 3.43Å; L475-H478 WeakPolarHBondContact O-CB 3.46Å; L475-H478 PolarHBondContact O-N 3.36Å; L475-Q479 HydrophobicContact CD1-CG 3.83Å; L475-Q479 HydrophobicContact CG-CG 4.03Å; L475-Q479 WeakPolarHBondContact O-CG 3.24Å; L475-Q479 PolarHBondContact O-N 3.34Å
476T54.2Low48.4Very low46 Ų4681 Ų8128%0.28243%0.425SS..Hα-helixtrans-64.7-39179.6-60.30000111.7K472 S473 H478 Q479 R480K472-T476 WeakPolarHBondContact O-CB 3.36Å; K472-T476 PolarHBondContact O-N 2.86Å; K472-T476 PolarHBondContact O-OG1 3.33Å; S473-T476 PolarHBondContact O-N 3.34Å; T476-H478 PolarHBondContact O-N 3.42Å; T476-Q479 PolarHBondContact O-N 2.82Å; T476-R480 VanDerWaalsContact O-CG 3.31Å; T476-R480 WeakPolarHBondContact O-CG 3.49Å; T476-R480 PolarHBondContact O-N 3.04Å
477I51.3Low47.5Very low108 Ų10889 Ų8955%0.55445%0.454SS*.Hα-helixtrans-62.7-36.8171.8-68.7163.5000110.4S473 T474 L475S473-I477 WeakPolarHBondContact O-CD1 3.4Å; S473-I477 VanDerWaalsContact O-CG1 3.25Å; S473-I477 WeakPolarHBondContact O-CG1 3.37Å; S473-I477 PolarHBondContact O-N 3.16Å; T474-I477 PolarHBondContact O-N 2.82Å; L475-I477 PolarHBondContact O-N 3.12Å
478H54.1Low46.6Very low21 Ų2187.7 Ų87.710%0.09747%0.47CS..Hα-helixtrans-76-35.9177.2170.165.9000113.8C462 C465 F469 T474 L475 T476 R480 T481 H482C462-H478 VanDerWaalsContact CB-CD2 3.41Å; C462-H478 WeakPolarHBondContact CB-CD2 3.48Å; C462-H478 VanDerWaalsContact CB-NE2 3.31Å; C462-H478 WeakPolarHBondContact CB-NE2 3.36Å; C462-H478 VanDerWaalsContact SG-CD2 3.5Å; C462-H478 PolarHBondContact SG-NE2 3.11Å; C462-H478 VanDerWaalsContact SG-NE2 3.36Å; C465-H478 PolarHBondContact SG-CE1 3.47Å; C465-H478 PolarHBondContact SG-NE2 3.37Å; F469-H478 HydrophobicContact CE1-CB 3.9Å; F469-H478 HydrophobicContact CE2-CB 3.89Å; F469-H478 AromaticContact CE2-CD2 3.05Å; F469-H478 WeakPolarHBondContact CE2-CD2 3.38Å; F469-H478 AromaticContact CE2-CG 3.47Å; F469-H478 VanDerWaalsContact CE2-CG 3.47Å; F469-H478 AromaticContact CE2-NE2 3.63Å; F469-H478 HydrophobicContact CZ-CB 3.46Å; F469-H478 VanDerWaalsContact CZ-CB 3.46Å; F469-H478 AromaticContact CZ-CD2 3.27Å; F469-H478 WeakPolarHBondContact CZ-CD2 3.48Å; F469-H478 AromaticContact CZ-CG 3.14Å; F469-H478 AromaticContact CZ-ND1 3.68Å; F469-H478 AromaticContact CZ-NE2 3.77Å; T474-H478 WeakPolarHBondContact O-CB 3.47Å; T474-H478 PolarHBondContact O-N 2.96Å; L475-H478 CarbonylContact O-C 3.51Å; L475-H478 WeakPolarHBondContact O-CA 3.43Å; L475-H478 WeakPolarHBondContact O-CB 3.46Å; L475-H478 PolarHBondContact O-N 3.36Å; T476-H478 PolarHBondContact O-N 3.42Å; H478-R480 PolarHBondContact O-N 3.25Å; H478-T481 VanDerWaalsContact O-CB 3.3Å; H478-T481 WeakPolarHBondContact O-CB 3.46Å; H478-T481 WeakPolarHBondContact O-CG2 3.39Å; H478-T481 PolarHBondContact O-N 3.27Å; H478-T481 PolarHBondContact O-OG1 3.12Å; H478-H482 AromaticContact CD2-NE2 3.78Å; H478-H482 AromaticContact CE1-CE1 3.63Å; H478-H482 AromaticContact CE1-NE2 3.23Å; H478-H482 PolarHBondContact CE1-NE2 2.79Å; H478-H482 AromaticContact NE2-CE1 3.83Å; H478-H482 AromaticContact NE2-NE2 3.06Å; H478-H482 PolarHBondContact NE2-NE2 2.99Å
479Q51.3Low45.5Very low59 Ų5989.2 Ų89.228%0.27649%0.486SS..Hα-helixtrans-64.9-31.1178.6-77.7170.8-40.900111.9L475 T476 T481 H482L475-Q479 HydrophobicContact CD1-CG 3.83Å; L475-Q479 HydrophobicContact CG-CG 4.03Å; L475-Q479 WeakPolarHBondContact O-CG 3.24Å; L475-Q479 PolarHBondContact O-N 3.34Å; T476-Q479 PolarHBondContact O-N 2.82Å; Q479-T481 PolarHBondContact O-N 2.82Å; Q479-T481 VanDerWaalsContact O-N 3.12Å; Q479-H482 PolarHBondContact O-N 3.13Å
480R50.8Low43.9Very low159 Ų15997.7 Ų97.760%0.652%0.523SS*.THydrogen-bonded Turntrans-62.7-14.2171.1-66.5170.1-169.3-170.9-0.9113.5T476 H478 H482T476-R480 VanDerWaalsContact O-CG 3.31Å; T476-R480 WeakPolarHBondContact O-CG 3.49Å; T476-R480 PolarHBondContact O-N 3.04Å; H478-R480 PolarHBondContact O-N 3.25Å; R480-H482 VanDerWaalsContact C-N 3.25Å
481T50.8Low43.2Very low88 Ų88102 Ų10254%0.5454%0.542SS..THydrogen-bonded Turntrans-78-12.1173.3730000112.9H478 Q479H478-T481 VanDerWaalsContact O-CB 3.3Å; H478-T481 WeakPolarHBondContact O-CB 3.46Å; H478-T481 WeakPolarHBondContact O-CG2 3.39Å; H478-T481 PolarHBondContact O-N 3.27Å; H478-T481 PolarHBondContact O-OG1 3.12Å; Q479-T481 PolarHBondContact O-N 2.82Å; Q479-T481 VanDerWaalsContact O-N 3.12Å
482H51.4Low41.9Very low55 Ų55108.4 Ų108.426%0.25557%0.569SS.*THydrogen-bonded Turntrans-107.8-28.3-175.3-50.1-64000113.9C462 E464 C465 H478 Q479 R480 G484C462-H482 PolarHBondContact SG-CD2 3.3Å; C462-H482 PolarHBondContact SG-NE2 3.32Å; E464-H482 HydrophobicContact CB-CB 3.9Å; E464-H482 HydrophobicContact CG-CB 4.21Å; E464-H482 WeakPolarHBondContact OE2-CB 3.29Å; E464-H482 IonicContact OE2-CG 3.71Å; C465-H482 VanDerWaalsContact CB-CE1 3.43Å; C465-H482 WeakPolarHBondContact CB-CE1 3.4Å; C465-H482 PolarHBondContact SG-CE1 3.23Å; C465-H482 PolarHBondContact SG-NE2 3.13Å; H478-H482 AromaticContact CD2-NE2 3.78Å; H478-H482 AromaticContact CE1-CE1 3.63Å; H478-H482 AromaticContact CE1-NE2 3.23Å; H478-H482 PolarHBondContact CE1-NE2 2.79Å; H478-H482 AromaticContact NE2-CE1 3.83Å; H478-H482 AromaticContact NE2-NE2 3.06Å; H478-H482 PolarHBondContact NE2-NE2 2.99Å; Q479-H482 PolarHBondContact O-N 3.13Å; R480-H482 VanDerWaalsContact C-N 3.25Å; H482-G484 PolarHBondContact O-N 3.11Å
483T48.3Very low40.5Very low85 Ų85108.3 Ų108.352%0.52158%0.584SS.*SBendtrans-78.1-8.3-174.3570000116E485T483-E485 PolarHBondContact O-N 3.48Å
484G45.4Very low39.4Very low66 Ų66108 Ų10868%0.6859%0.593SS**  trans57.410.7163.800000119.1H482 K486H482-G484 PolarHBondContact O-N 3.11Å; G484-K486 PolarHBondContact O-N 3.19Å
485E31.6Very low38.3Very low166 Ų166115.7 Ų115.778%0.77662%0.616SS**  trans-72.5109.7-177.6-79-174.5151.700112.2T483T483-E485 PolarHBondContact O-N 3.48Å
486K32.3Very low36.9Very low178 Ų178123.5 Ų123.577%0.77466%0.655SS**  trans-82144168.7-64.5176.3178.51750110.2G484G484-K486 PolarHBondContact O-N 3.19Å
487H27.5Very low35.4Very low202 Ų202124.9 Ų124.994%0.93567%0.667SS**  trans-139.5130.9149-103.859.7000111
488G25.4Very low34.1Very low78 Ų78127.7 Ų127.780%0.80468%0.681SS**  trans9483.9159.300000117.4
489V24.9Very low32.7Very low113 Ų113132.7 Ų132.769%0.68571%0.713SS**  trans-72.5131.1168.1172.60000110.5
490F23.6Very low31.9Very low215 Ų215139 Ų13994%0.94374%0.74SS**  trans-136.6119.1140.7-84.4-78.3000109.1
491N27.7Very low30.8Very low142 Ų142135.7 Ų135.776%0.75974%0.741SS**  trans-100.2138.3176.9-86.6-30.6000110.4
492K26.5Very low30Very low213 Ų213139.4 Ų139.493%0.92676%0.757SS**  trans154133.4145.7-91.1172.6179.7-177.90106.6
493C23.7Very low29Very low136 Ų136140.1 Ų140.192%0.91977%0.768SS**  cis-165.2147.81.3174.10000103.2
494G24.8Very low28.5Very low69 Ų69141.9 Ų141.971%0.71178%0.784SS**  cis-157.1175.32300000114
495R25Very low28.1Very low220 Ų220145.9 Ų145.983%0.8379%0.785SS**  trans-79.8151-149.4-68.1168.7166.6136.9-5116.3
496I24.6Very low28.2Very low175 Ų175141.9 Ų141.990%0.89777%0.774SS**  -129.5121.8106.9-62.9-177.9000107.2
497S22.2Very low28.5Very low75 Ų75142.3 Ų142.352%0.52478%0.776SS.*  trans-92.6135.5-177.1-39.20000110.2
498I24.9Very low29Very low167 Ų167140.5 Ų140.586%0.85676%0.761SS**  trans-129.5128.8147.8-60.2-179.3000107.2
499V24.1Very low29Very low126 Ų126144 Ų14476%0.76476%0.758SS**  trans-66.7146.4-168.8174.20000111.3S501V499-S501 PolarHBondContact O-N 3.28Å
500K33.3Very low29.4Very low191 Ų191144.6 Ų144.683%0.8376%0.757SS**  trans-67.1117.9164.3-79-180172.5-176.30109
501S27.7Very low30.5Very low89 Ų89139.2 Ų139.262%0.62274%0.742SS**  trans-118.2116154.755.80000108.7V499 C503V499-S501 PolarHBondContact O-N 3.28Å; S501-C503 PolarHBondContact O-N 3.11Å
502N35.6Very low31.2Very low167 Ų167142.2 Ų142.289%0.89375%0.749SS**  trans-72.697.3159.8-77.3-17.5000106S504N502-S504 PolarHBondContact O-N 3.02Å
503C30.7Very low31.9Very low70 Ų70139.3 Ų139.347%0.47374%0.738SS.*  trans-86.6108.2175.2-173.10000109.8S501 Q505S501-C503 PolarHBondContact O-N 3.11Å; C503-Q505 PolarHBondContact O-N 2.9Å
504S37.6Very low32.6Very low122 Ų122137.5 Ų137.585%0.85372%0.719SS**  trans-81.913.1176.446.20000113.7N502N502-S504 PolarHBondContact O-N 3.02Å
505Q36.4Very low33.2Very low150 Ų150138.1 Ų138.170%0.70171%0.706SS**  trans-113.920-169.7-73.8-178.3-14.100115.8C503 K507C503-Q505 PolarHBondContact O-N 2.9Å; Q505-K507 PolarHBondContact O-N 3.26Å
506C34.4Very low33.7Very low82 Ų82133.1 Ų133.155%0.55469%0.688SS**  trans-75.797.1171-74.30000111.2
507K38.1Very low34.1Very low186 Ų186131.9 Ų131.981%0.80968%0.678SS**  trans-89136.7167.4-78.3-175.4178.4178.70110.9Q505Q505-K507 PolarHBondContact O-N 3.26Å
508R37.4Very low34.5Very low165 Ų165130.7 Ų130.762%0.62367%0.67SS**  trans-84.8124.6179.7-179.7178.5158.5-172.2-7.4109.6Y516R508-Y516 HydrophobicContact CB-CE1 4.2Å; R508-Y516 HydrophobicContact CG-CE1 4.34Å
509M26.8Very low35Very low152 Ų152128 Ų12875%0.74967%0.666SS**  trans-115.9108.3174.2-77.3-73.6-6000110.8
510N32.6Very low35.3Very low124 Ų124129.4 Ų129.466%0.66366%0.664SS**  trans61.9153157.1-124-17.5000122.1
511T46.9Very low35.4Very low102 Ų102127 Ų12763%0.62666%0.655SS**SBendtrans-106.728.6-139.143.70000117.3
512K42Very low35.9Very low206 Ų206125.7 Ų125.790%0.89666%0.656SS**SBendtrans-126.9-17171.2-80.3-174.1176.31770117.1
513E40.9Very low35.9Very low152 Ų152122 Ų12271%0.7163%0.633SS**SBendtrans-141110.4170.3-65.8-173.4160.500108.5L515E513-L515 VanDerWaalsContact C-N 3.3Å; E513-L515 HydrophobicContact CB-CD1 4.38Å; E513-L515 PolarHBondContact O-N 3.43Å
514N38.8Very low36Very low97 Ų97121.6 Ų121.652%0.51963%0.634SS.*  trans-65.182.3-175-75.5-67.3000112.1
515L36.5Very low35.9Very low83 Ų83119.1 Ų119.144%0.43561%0.614SS.*  trans-108.3141.8175-70160.6000109.7E513E513-L515 VanDerWaalsContact C-N 3.3Å; E513-L515 HydrophobicContact CB-CD1 4.38Å; E513-L515 PolarHBondContact O-N 3.43Å
516Y36.7Very low35.9Very low115 Ų115115.5 Ų115.545%0.45161%0.605SS.*  trans-127.1136.7174.6-68.6-92.7000108.8R508R508-Y516 HydrophobicContact CB-CE1 4.2Å; R508-Y516 HydrophobicContact CG-CE1 4.34Å
517E32.9Very low35.9Very low149 Ų149118.7 Ų118.770%0.69661%0.61SS**  trans-110.7139.5176.4-170.4171.9-167.600110.1
518C29.5Very low35.8Very low50 Ų50115.9 Ų115.934%0.33860%0.604SS.*  trans-122.8120171.6179.50000108.4E520 H521C518-E520 PolarHBondContact O-N 2.98Å; C518-E520 VanDerWaalsContact O-N 3.09Å; C518-H521 PolarHBondContact O-N 3.23Å
519S35.5Very low35.5Very low111 Ų111110 Ų11078%0.77659%0.588SS**THydrogen-bonded Turntrans-68-6.3-168.4-6.50000115.3
520E30.4Very low35.9Very low154 Ų154108.7 Ų108.772%0.7258%0.58SS**THydrogen-bonded Turntrans-97.6-12.1177.1-78.3-167.4151.300114.4C518C518-E520 PolarHBondContact O-N 2.98Å; C518-E520 VanDerWaalsContact O-N 3.09Å
521H37Very low36Very low142 Ų142107.8 Ų107.866%0.65757%0.574SS**THydrogen-bonded Turntrans-129.15.4-172.8-67.5-30.4000116.2C518 H523C518-H521 PolarHBondContact O-N 3.23Å; H521-H523 PolarHBondContact O-CD2 2.75Å; H521-H523 PolarHBondContact O-N 3.08Å
522G36.5Very low35.5Very low61 Ų61108 Ų10863%0.62957%0.57SS**  trans52.228163.300000116.7
523H37.4Very low35.1Very low90 Ų90103.7 Ų103.742%0.41756%0.561SS.*  trans-140.1115.4-177.5-73.8-40.2000112.2H521 V525H521-H523 PolarHBondContact O-CD2 2.75Å; H521-H523 PolarHBondContact O-N 3.08Å; H523-V525 HydrophobicContact CB-CG2 4.37Å
524A31.9Very low34.5Very low60 Ų60102.9 Ų102.950%0.49656%0.557SS.*  trans-75.6127.216600000109.5
525V34.6Very low34.2Very low71 Ų71103 Ų10343%0.4355%0.554SS.*  trans-140.6139.6177-142.20000111.8H523 S529H523-V525 HydrophobicContact CB-CG2 4.37Å; V525-S529 WeakPolarHBondContact CG1-OG 3.42Å
526S36.9Very low34Very low74 Ų74109.1 Ų109.152%0.51757%0.572SS.*  trans-72.9154.2-177.5770000113.4N528 S529S526-N528 PolarHBondContact O-N 3.32Å; S526-S529 PolarHBondContact O-N 3.14Å; S526-S529 VanDerWaalsContact O-N 3.1Å; S526-S529 PolarHBondContact O-OG 3.06Å
527K35.3Very low33.9Very low149 Ų149108.7 Ų108.765%0.64858%0.581SS**Hα-helixtrans-47.9-26-170-144.2173.6-174.9176.70116.2L531K527-L531 PolarHBondContact O-N 3.06Å
528N34.8Very low34.1Very low127 Ų127109 Ų10968%0.67959%0.586SS**Hα-helixtrans-78.1-32.1-177.3-78.1-19.8000114S526S526-N528 PolarHBondContact O-N 3.32Å
529S31.7Very low34.1Very low42 Ų42114.4 Ų114.429%0.29460%0.599SS.*Hα-helixtrans-77.8-35.8177.157.80000111.2V525 S526 L531 I532 V533V525-S529 WeakPolarHBondContact CG1-OG 3.42Å; S526-S529 PolarHBondContact O-N 3.14Å; S526-S529 VanDerWaalsContact O-N 3.1Å; S526-S529 PolarHBondContact O-OG 3.06Å; S529-L531 VanDerWaalsContact C-N 3.28Å; S529-L531 PolarHBondContact O-N 3.06Å; S529-I532 PolarHBondContact O-N 3.31Å; S529-I532 VanDerWaalsContact O-N 3.14Å; S529-V533 WeakPolarHBondContact O-CG2 3.49Å; S529-V533 PolarHBondContact O-N 3.43Å; S529-V533 VanDerWaalsContact O-N 3.11Å
530H35.2Very low34.3Very low124 Ų124115.6 Ų115.657%0.57459%0.593SS**Hα-helixtrans-60.9-37.1174.7-167.4-142.2000111.8I532 V533 H534H530-I532 VanDerWaalsContact C-N 3.3Å; H530-I532 PolarHBondContact O-N 3.05Å; H530-V533 PolarHBondContact O-N 2.92Å; H530-H534 WeakPolarHBondContact O-CB 3.15Å; H530-H534 PolarHBondContact O-N 2.89Å
531L34.4Very low35.1Very low105 Ų105113 Ų11355%0.5558%0.576SS.*Hα-helixtrans-67.3-28.1177.4-150.682.5000113.4K527 S529 Q535K527-L531 PolarHBondContact O-N 3.06Å; S529-L531 VanDerWaalsContact C-N 3.28Å; S529-L531 PolarHBondContact O-N 3.06Å; L531-Q535 WeakPolarHBondContact O-CB 3.46Å; L531-Q535 WeakPolarHBondContact O-CG 3.34Å; L531-Q535 PolarHBondContact O-NE2 3.25Å
532I36.5Very low35.5Very low106 Ų106110.8 Ų110.854%0.54457%0.574SS.*Hα-helixtrans-84.2-35.7-179.7-65.1177.5000111.1S529 H530 Q535S529-I532 PolarHBondContact O-N 3.31Å; S529-I532 VanDerWaalsContact O-N 3.14Å; H530-I532 VanDerWaalsContact C-N 3.3Å; H530-I532 PolarHBondContact O-N 3.05Å; I532-Q535 PolarHBondContact O-N 2.95Å
533V33.5Very low36.2Very low115 Ų115112.2 Ų112.270%0.69756%0.561SS**Hα-helixtrans-74.6-33178.71790000111.1S529 H530 Q535S529-V533 WeakPolarHBondContact O-CG2 3.49Å; S529-V533 PolarHBondContact O-N 3.43Å; S529-V533 VanDerWaalsContact O-N 3.11Å; H530-V533 PolarHBondContact O-N 2.92Å; V533-Q535 VanDerWaalsContact C-N 3.31Å; V533-Q535 PolarHBondContact O-N 2.73Å
534H28.6Very low36.8Very low136 Ų136113.2 Ų113.263%0.6357%0.566SS**G310 helixtrans-76.2-13.9174.4-140.3-69.2000114H530H530-H534 WeakPolarHBondContact O-CB 3.15Å; H530-H534 PolarHBondContact O-N 2.89Å
535Q31.9Very low38.1Very low99 Ų99110.4 Ų110.446%0.46354%0.543SS..G310 helixtrans-88.87.9-176.5-89.1171.421.700115.1L531 I532 V533L531-Q535 WeakPolarHBondContact O-CB 3.46Å; L531-Q535 WeakPolarHBondContact O-CG 3.34Å; L531-Q535 PolarHBondContact O-NE2 3.25Å; I532-Q535 PolarHBondContact O-N 2.95Å; V533-Q535 VanDerWaalsContact C-N 3.31Å; V533-Q535 PolarHBondContact O-N 2.73Å
536R33.4Very low39.7Very low212 Ų212114 Ų11480%0.856%0.56SS**G310 helixtrans-108.92.8-176.5-78.4-172.2173.4-177.3-0.2116.2
537T34.5Very low40.8Very low106 Ų106116.1 Ų116.165%0.6556%0.562SS**SBendtrans-118.2135.7170.242.60000109.9
538I37Very low42Very low155 Ų155111.7 Ų111.780%0.79555%0.549SS*.  trans8153174.4-37.5163.5000113.8
539W29.6Very low42.8Very low164 Ų164107.6 Ų107.662%0.62154%0.536SS*.  trans-84.3121.5147.7-79.178.8000107.5R541 C553W539-R541 HydrophobicContact CB-CG 3.72Å; W539-R541 WeakPolarHBondContact O-CG 3.39Å; W539-R541 PolarHBondContact O-N 2.57Å; W539-R541 VanDerWaalsContact O-N 3.09Å; W539-C553 HydrophobicContact CE3-CB 3.67Å; W539-C553 HydrophobicContact CZ3-CB 4.01Å
540E39.4Very low43.8Very low136 Ų136112.9 Ų112.964%0.63655%0.55SS*.  trans-61.2116.1156.1-77-166.6161.200107.6P542E540-P542 WeakPolarHBondContact O-CD 2.8Å
541R47.8Very low44.3Very low100 Ų100109.1 Ų109.138%0.37754%0.535SS..  trans-117.367.7-174.5-81.3176.985.9177.3-1.6106.2W539 Y543 T551 Y552W539-R541 HydrophobicContact CB-CG 3.72Å; W539-R541 WeakPolarHBondContact O-CG 3.39Å; W539-R541 PolarHBondContact O-N 2.57Å; W539-R541 VanDerWaalsContact O-N 3.09Å; R541-Y543 PolarHBondContact O-N 3.02Å; R541-T551 HydrophobicContact CB-CG2 4.45Å; R541-T551 WeakPolarHBondContact CB-OG1 3.46Å; R541-T551 VanDerWaalsContact CD-OG1 3.24Å; R541-T551 WeakPolarHBondContact CD-OG1 3.42Å; R541-T551 PolarHBondContact NE-O 3.13Å; R541-T551 PolarHBondContact NE-OG1 3.04Å; R541-T551 PolarHBondContact NH2-O 3.43Å; R541-T551 WeakPolarHBondContact O-CB 3.41Å; R541-Y552 CarbonylContact C-O 3.58Å; R541-Y552 VanDerWaalsContact CA-C 3.45Å; R541-Y552 WeakPolarHBondContact CA-O 3.48Å; R541-Y552 PolarHBondContact O-N 3.27Å
542P44.8Very low45.2Very low94 Ų94105.6 Ų105.661%0.6152%0.515SS*.BIsolated β-bridgetrans-64.3-11.8-166.425.5-35.4000114.3E540 Y552E540-P542 WeakPolarHBondContact O-CD 2.8Å; P542-Y552 WeakPolarHBondContact CD-O 3.29Å
543Y50.7Low45.5Very low91 Ų91102.8 Ų102.836%0.35750%0.504SS..EExtended strand (participates in β ladder)trans-98.191.3178.4-58.5-76.1000109.2R541 T551 Y552 K555R541-Y543 PolarHBondContact O-N 3.02Å; Y543-T551 CarbonylContact O-C 3.56Å; Y543-T551 VanDerWaalsContact O-C 3.29Å; Y543-T551 WeakPolarHBondContact O-CA 3.4Å; Y543-Y552 WeakPolarHBondContact CD2-O 3.4Å; Y543-Y552 PolarHBondContact N-O 3.35Å; Y543-Y552 PolarHBondContact O-N 3.15Å; Y543-K555 HydrophobicContact CD1-CB 3.74Å; Y543-K555 HydrophobicContact CD1-CG 3.97Å; Y543-K555 HydrophobicContact CD2-CB 4.48Å; Y543-K555 HydrophobicContact CE1-CB 3.5Å; Y543-K555 HydrophobicContact CE1-CD 4.24Å; Y543-K555 HydrophobicContact CE1-CG 3.93Å; Y543-K555 HydrophobicContact CE2-CB 4.29Å; Y543-K555 HydrophobicContact CG-CB 4.22Å
544E50.3Low46.2Very low111 Ų111104.6 Ų104.652%0.51950%0.499SS..EExtended strand (participates in β ladder)trans-81.5138.7177.2-171.1172168.200112.1T551 L558E544-T551 HydrophobicContact CB-CG2 4.27Å; E544-T551 HydrophobicContact CG-CG2 4.13Å; E544-L558 WeakPolarHBondContact O-CD2 3.2Å
545C59.5Low47.5Very low1 Ų1104.8 Ų104.81%0.00750%0.498CS..  trans-84.4111.6168.1-176.90000109.7E547 C548 G549 R550 L558 H565C545-E547 PolarHBondContact O-N 3.36Å; C545-C548 PolarHBondContact O-N 3.03Å; C545-G549 WeakPolarHBondContact O-CA 3.42Å; C545-G549 PolarHBondContact O-N 3.48Å; C545-R550 VanDerWaalsContact CB-O 3.32Å; C545-R550 WeakPolarHBondContact CB-O 3.29Å; C545-R550 PolarHBondContact N-O 3.4Å; C545-L558 VanDerWaalsContact CA-CD1 3.49Å; C545-L558 HydrophobicContact CB-CD1 3.54Å; C545-H565 PolarHBondContact SG-CD2 2.7Å; C545-H565 PolarHBondContact SG-NE2 3.46Å
546N67.6Low48.7Very low148 Ų148104.1 Ų104.179%0.79150%0.504SS*.THydrogen-bonded Turntrans-56.7-21.5179.3-59.5-11.9000113.9
547E60.7Low50Low118 Ų11895.6 Ų95.655%0.55148%0.479SS*.THydrogen-bonded Turntrans-91.7-23.6-176.3-64.6178.6-125.900114.1C545 H565C545-E547 PolarHBondContact O-N 3.36Å; E547-H565 HydrophobicContact CB-CB 4.47Å; E547-H565 WeakPolarHBondContact OE2-CB 3.48Å; E547-H565 IonicContact OE2-CD2 2.57Å; E547-H565 IonicContact OE2-CG 3.78Å
548C60.3Low51.5Low56 Ų5691.3 Ų91.338%0.37845%0.452SS..THydrogen-bonded Turntrans-141.47.3-177.6730000115.2C545 R550 H561 H565C545-C548 PolarHBondContact O-N 3.03Å; C548-R550 PolarHBondContact O-N 2.99Å; C548-H561 VanDerWaalsContact SG-CE1 3.57Å; C548-H561 PolarHBondContact SG-NE2 3.42Å; C548-H565 VanDerWaalsContact SG-CE1 3.51Å; C548-H565 PolarHBondContact SG-NE2 3.46Å
549G51.2Low53.1Low40 Ų4086.7 Ų86.741%0.41243%0.431SS..  trans64.45.1179.800000114.4C545 T551C545-G549 WeakPolarHBondContact O-CA 3.42Å; C545-G549 PolarHBondContact O-N 3.48Å; G549-T551 PolarHBondContact O-N 3.17Å
550R53.9Low55Low153 Ų15381.1 Ų81.158%0.57741%0.411SS*.  trans-70120.7174.6-75.6-173.2178.5-164.92.1108.8C545 C548 Y552C545-R550 VanDerWaalsContact CB-O 3.32Å; C545-R550 WeakPolarHBondContact CB-O 3.29Å; C545-R550 PolarHBondContact N-O 3.4Å; C548-R550 PolarHBondContact O-N 2.99Å; R550-Y552 HydrophobicContact CB-CE2 3.74Å; R550-Y552 WeakPolarHBondContact O-CD2 3.25Å; R550-Y552 VanDerWaalsContact O-CE2 3.24Å; R550-Y552 WeakPolarHBondContact O-CE2 3.44Å
551T44.3Very low56.5Low45 Ų4575.3 Ų75.328%0.27638%0.384SS..EExtended strand (participates in β ladder)trans-83.7160179.754.20000108.9R541 Y543 E544 G549R541-T551 HydrophobicContact CB-CG2 4.45Å; R541-T551 WeakPolarHBondContact CB-OG1 3.46Å; R541-T551 VanDerWaalsContact CD-OG1 3.24Å; R541-T551 WeakPolarHBondContact CD-OG1 3.42Å; R541-T551 PolarHBondContact NE-O 3.13Å; R541-T551 PolarHBondContact NE-OG1 3.04Å; R541-T551 PolarHBondContact NH2-O 3.43Å; R541-T551 WeakPolarHBondContact O-CB 3.41Å; Y543-T551 CarbonylContact O-C 3.56Å; Y543-T551 VanDerWaalsContact O-C 3.29Å; Y543-T551 WeakPolarHBondContact O-CA 3.4Å; E544-T551 HydrophobicContact CB-CG2 4.27Å; E544-T551 HydrophobicContact CG-CG2 4.13Å; G549-T551 PolarHBondContact O-N 3.17Å
552Y54.2Low57.5Low31 Ų3173.4 Ų73.412%0.12238%0.38CS..EExtended strand (participates in β ladder)trans-140.8147.7172.2-67.8-92.1000111.7R541 P542 Y543 R550 R554 A557 L558 H561R541-Y552 CarbonylContact C-O 3.58Å; R541-Y552 VanDerWaalsContact CA-C 3.45Å; R541-Y552 WeakPolarHBondContact CA-O 3.48Å; R541-Y552 PolarHBondContact O-N 3.27Å; P542-Y552 WeakPolarHBondContact CD-O 3.29Å; Y543-Y552 WeakPolarHBondContact CD2-O 3.4Å; Y543-Y552 PolarHBondContact N-O 3.35Å; Y543-Y552 PolarHBondContact O-N 3.15Å; R550-Y552 HydrophobicContact CB-CE2 3.74Å; R550-Y552 WeakPolarHBondContact O-CD2 3.25Å; R550-Y552 VanDerWaalsContact O-CE2 3.24Å; R550-Y552 WeakPolarHBondContact O-CE2 3.44Å; Y552-R554 VanDerWaalsContact C-N 3.26Å; Y552-R554 PolarHBondContact O-N 3.27Å; Y552-A557 HydrophobicContact CD1-CB 3.71Å; Y552-A557 HydrophobicContact CG-CB 4.22Å; Y552-L558 HydrophobicContact CD2-CB 3.86Å; Y552-L558 HydrophobicContact CD2-CD1 3.76Å; Y552-L558 HydrophobicContact CD2-CG 4.45Å; Y552-L558 HydrophobicContact CE2-CD1 4.15Å; Y552-L558 HydrophobicContact CG-CB 4.1Å; Y552-H561 HydrophobicContact CD2-CB 4.5Å; Y552-H561 HydrophobicContact CE1-CB 3.82Å; Y552-H561 HydrophobicContact CE2-CB 3.7Å; Y552-H561 AromaticContact CE2-CD2 3.18Å; Y552-H561 WeakPolarHBondContact CE2-CD2 3.36Å; Y552-H561 AromaticContact CE2-CG 3.53Å; Y552-H561 AromaticContact CE2-NE2 3.97Å; Y552-H561 AromaticContact CZ-CD2 3.43Å; Y552-H561 VanDerWaalsContact CZ-CD2 3.43Å; Y552-H561 AromaticContact CZ-CG 3.26Å; Y552-H561 AromaticContact CZ-ND1 3.97Å; Y552-H561 VanDerWaalsContact OH-CB 3.32Å; Y552-H561 WeakPolarHBondContact OH-CB 3.47Å; Y552-H561 PolarHBondContact OH-CD2 3.47Å; Y552-H561 PolarHBondContact OH-CE1 2.96Å; Y552-H561 PolarHBondContact OH-ND1 3.06Å; Y552-H561 VanDerWaalsContact OH-ND1 3.08Å; Y552-H561 PolarHBondContact OH-NE2 2.99Å
553C41.4Very low59Low47 Ų4771.8 Ų71.832%0.31836%0.361SS..SBendtrans-75.8-12.7179.361.10000113.6W539W539-C553 HydrophobicContact CE3-CB 3.67Å; W539-C553 HydrophobicContact CZ3-CB 4.01Å
554R48.8Very low59.8Low154 Ų15471.4 Ų71.458%0.58137%0.369SS*.SBendtrans-142.1142.6179.7-61-176.6-174.493.3-0.3110.2Y552 S556 A557 L558Y552-R554 VanDerWaalsContact C-N 3.26Å; Y552-R554 PolarHBondContact O-N 3.27Å; R554-S556 VanDerWaalsContact C-N 3.26Å; R554-S556 PolarHBondContact O-N 2.86Å; R554-A557 HydrophobicContact CB-CB 4.45Å; R554-A557 WeakPolarHBondContact O-CB 3.41Å; R554-A557 PolarHBondContact O-N 3.14Å; R554-L558 PolarHBondContact O-N 3.16Å
555K55.6Low60.6Low140 Ų14069.3 Ų69.361%0.60936%0.359SS*.Hα-helixtrans-56.1-41176.8-165.5173.5179.4175.70111.9Y543 A557 L558 T559Y543-K555 HydrophobicContact CD1-CB 3.74Å; Y543-K555 HydrophobicContact CD1-CG 3.97Å; Y543-K555 HydrophobicContact CD2-CB 4.48Å; Y543-K555 HydrophobicContact CE1-CB 3.5Å; Y543-K555 HydrophobicContact CE1-CD 4.24Å; Y543-K555 HydrophobicContact CE1-CG 3.93Å; Y543-K555 HydrophobicContact CE2-CB 4.29Å; Y543-K555 HydrophobicContact CG-CB 4.22Å; K555-A557 VanDerWaalsContact C-N 3.26Å; K555-A557 PolarHBondContact O-N 3.48Å; K555-L558 WeakPolarHBondContact O-CB 3.39Å; K555-L558 PolarHBondContact O-N 3.29Å; K555-T559 PolarHBondContact O-N 3.16Å; K555-T559 PolarHBondContact O-OG1 2.89Å
556S58.6Low61Low85 Ų8572.7 Ų72.759%0.59438%0.38SS*.Hα-helixtrans-61.1-32.9177.854.70000113.7R554 H560R554-S556 VanDerWaalsContact C-N 3.26Å; R554-S556 PolarHBondContact O-N 2.86Å; S556-H560 WeakPolarHBondContact O-CB 3.16Å; S556-H560 PolarHBondContact O-N 3.06Å
557A60.7Low61Low33 Ų3368 Ų6827%0.27337%0.367SS..Hα-helixtrans-75.1-37.3176.900000111.5Y552 R554 K555 H561Y552-A557 HydrophobicContact CD1-CB 3.71Å; Y552-A557 HydrophobicContact CG-CB 4.22Å; R554-A557 HydrophobicContact CB-CB 4.45Å; R554-A557 WeakPolarHBondContact O-CB 3.41Å; R554-A557 PolarHBondContact O-N 3.14Å; K555-A557 VanDerWaalsContact C-N 3.26Å; K555-A557 PolarHBondContact O-N 3.48Å; A557-H561 WeakPolarHBondContact O-CB 3.36Å; A557-H561 PolarHBondContact O-N 3.25Å
558L66Low61.3Low15 Ų1568 Ų688%0.07937%0.367CS..Hα-helixtrans-62.3-49.8169.617263.6000111.1E544 C545 Y552 R554 K555 H560 H561 Q562E544-L558 WeakPolarHBondContact O-CD2 3.2Å; C545-L558 VanDerWaalsContact CA-CD1 3.49Å; C545-L558 HydrophobicContact CB-CD1 3.54Å; Y552-L558 HydrophobicContact CD2-CB 3.86Å; Y552-L558 HydrophobicContact CD2-CD1 3.76Å; Y552-L558 HydrophobicContact CD2-CG 4.45Å; Y552-L558 HydrophobicContact CE2-CD1 4.15Å; Y552-L558 HydrophobicContact CG-CB 4.1Å; R554-L558 PolarHBondContact O-N 3.16Å; K555-L558 WeakPolarHBondContact O-CB 3.39Å; K555-L558 PolarHBondContact O-N 3.29Å; L558-H560 VanDerWaalsContact C-N 3.27Å; L558-H560 PolarHBondContact O-N 3.07Å; L558-H561 CarbonylContact O-C 3.29Å; L558-H561 WeakPolarHBondContact O-CA 3.43Å; L558-H561 WeakPolarHBondContact O-CB 3.37Å; L558-H561 PolarHBondContact O-N 3.37Å; L558-Q562 HydrophobicContact CD1-CG 3.95Å; L558-Q562 HydrophobicContact CG-CG 4.25Å; L558-Q562 WeakPolarHBondContact O-CG 3.49Å; L558-Q562 PolarHBondContact O-N 3.43Å
559T70.7Confident62Low58 Ų5872 Ų7236%0.35637%0.373SS..Hα-helixtrans-59.9-38.3179.6-56.50000112K555K555-T559 PolarHBondContact O-N 3.16Å; K555-T559 PolarHBondContact O-OG1 2.89Å
560H68.1Low63.1Low47 Ų4773.7 Ų73.722%0.21838%0.377CS..Hα-helixtrans-66.1-43.7172.8173.249.2000111.6S556 L558 R563 C581 Q582S556-H560 WeakPolarHBondContact O-CB 3.16Å; S556-H560 PolarHBondContact O-N 3.06Å; L558-H560 VanDerWaalsContact C-N 3.27Å; L558-H560 PolarHBondContact O-N 3.07Å; H560-R563 VanDerWaalsContact O-CB 3.28Å; H560-R563 WeakPolarHBondContact O-CB 3.06Å; H560-R563 PolarHBondContact O-N 3.03Å; H560-C581 VanDerWaalsContact CE1-SG 3.6Å; H560-C581 PolarHBondContact ND1-O 3.28Å; H560-Q582 PolarHBondContact CD2-NE2 3.02Å; H560-Q582 WeakPolarHBondContact CE1-CG 3.36Å; H560-Q582 PolarHBondContact CE1-NE2 3.2Å; H560-Q582 VanDerWaalsContact CE1-NE2 3.35Å; H560-Q582 VanDerWaalsContact ND1-CG 3.27Å; H560-Q582 WeakPolarHBondContact ND1-CG 3.5Å; H560-Q582 WeakPolarHBondContact NE2-CG 3.25Å; H560-Q582 PolarHBondContact NE2-NE2 2.88Å
561H70.9Confident64.3Low14 Ų1469.6 Ų69.67%0.06536%0.362CS..Hα-helixtrans-65.2-38178.2167.360.8000113.4C548 Y552 A557 L558 R563 T564 H565C548-H561 VanDerWaalsContact SG-CE1 3.57Å; C548-H561 PolarHBondContact SG-NE2 3.42Å; Y552-H561 HydrophobicContact CD2-CB 4.5Å; Y552-H561 HydrophobicContact CE1-CB 3.82Å; Y552-H561 HydrophobicContact CE2-CB 3.7Å; Y552-H561 AromaticContact CE2-CD2 3.18Å; Y552-H561 WeakPolarHBondContact CE2-CD2 3.36Å; Y552-H561 AromaticContact CE2-CG 3.53Å; Y552-H561 AromaticContact CE2-NE2 3.97Å; Y552-H561 AromaticContact CZ-CD2 3.43Å; Y552-H561 VanDerWaalsContact CZ-CD2 3.43Å; Y552-H561 AromaticContact CZ-CG 3.26Å; Y552-H561 AromaticContact CZ-ND1 3.97Å; Y552-H561 VanDerWaalsContact OH-CB 3.32Å; Y552-H561 WeakPolarHBondContact OH-CB 3.47Å; Y552-H561 PolarHBondContact OH-CD2 3.47Å; Y552-H561 PolarHBondContact OH-CE1 2.96Å; Y552-H561 PolarHBondContact OH-ND1 3.06Å; Y552-H561 VanDerWaalsContact OH-ND1 3.08Å; Y552-H561 PolarHBondContact OH-NE2 2.99Å; A557-H561 WeakPolarHBondContact O-CB 3.36Å; A557-H561 PolarHBondContact O-N 3.25Å; L558-H561 CarbonylContact O-C 3.29Å; L558-H561 WeakPolarHBondContact O-CA 3.43Å; L558-H561 WeakPolarHBondContact O-CB 3.37Å; L558-H561 PolarHBondContact O-N 3.37Å; H561-R563 PolarHBondContact O-N 2.87Å; H561-T564 PolarHBondContact ND1-OG1 3.39Å; H561-T564 WeakPolarHBondContact O-CB 3.41Å; H561-T564 PolarHBondContact O-N 3.31Å; H561-T564 PolarHBondContact O-OG1 3.14Å; H561-H565 AromaticContact CD2-NE2 3.98Å; H561-H565 AromaticContact CE1-CE1 3.78Å; H561-H565 AromaticContact CE1-NE2 3.31Å; H561-H565 PolarHBondContact CE1-NE2 3.2Å; H561-H565 VanDerWaalsContact CE1-NE2 3.31Å; H561-H565 AromaticContact NE2-CE1 3.92Å; H561-H565 AromaticContact NE2-NE2 3.09Å; H561-H565 PolarHBondContact NE2-NE2 2.79Å
562Q69.9Low66Low61 Ų6172.8 Ų72.829%0.28537%0.374SS..Hα-helixtrans-56.5-26.4176.7-75.2171.2-43.500112.3L558 T564 H565 T566L558-Q562 HydrophobicContact CD1-CG 3.95Å; L558-Q562 HydrophobicContact CG-CG 4.25Å; L558-Q562 WeakPolarHBondContact O-CG 3.49Å; L558-Q562 PolarHBondContact O-N 3.43Å; Q562-T564 PolarHBondContact O-N 2.86Å; Q562-H565 PolarHBondContact O-N 3.46Å; Q562-H565 VanDerWaalsContact O-N 3.11Å; Q562-T566 PolarHBondContact O-N 3.03Å; Q562-T566 VanDerWaalsContact O-N 3.11Å; Q562-T566 PolarHBondContact O-OG1 3.34Å
563R76.3Confident67.3Low59 Ų5971.4 Ų71.422%0.22337%0.369CS..THydrogen-bonded Turntrans-64.9-18.6173.3-60.2176.9-173174.1-3.1114H560 H561 H565 T566 G567 Q568 C581H560-R563 VanDerWaalsContact O-CB 3.28Å; H560-R563 WeakPolarHBondContact O-CB 3.06Å; H560-R563 PolarHBondContact O-N 3.03Å; H561-R563 PolarHBondContact O-N 2.87Å; R563-H565 VanDerWaalsContact C-N 3.3Å; R563-T566 WeakPolarHBondContact CA-OG1 3.37Å; R563-G567 PolarHBondContact O-N 3.46Å; R563-Q568 WeakPolarHBondContact CB-O 3.49Å; R563-Q568 HydrophobicContact CG-CB 4.36Å; R563-Q568 PolarHBondContact O-N 3.39Å; R563-C581 HydrophobicContact CB-CB 4.29Å; R563-C581 WeakPolarHBondContact CD-O 3.37Å; R563-C581 PolarHBondContact NH1-O 3.05Å
564T66.1Low69.1Low83 Ų8376.6 Ų76.651%0.50939%0.394SS..THydrogen-bonded Turntrans-74.7-24.6174.666.60000112.2H561 Q562H561-T564 PolarHBondContact ND1-OG1 3.39Å; H561-T564 WeakPolarHBondContact O-CB 3.41Å; H561-T564 PolarHBondContact O-N 3.31Å; H561-T564 PolarHBondContact O-OG1 3.14Å; Q562-T564 PolarHBondContact O-N 2.86Å
565H68.3Low70.4Confident68 Ų6875.5 Ų75.532%0.31540%0.395SS..THydrogen-bonded Turntrans-93.4-42.3177.6-50-59.6000112C545 E547 C548 H561 Q562 R563 G567C545-H565 PolarHBondContact SG-CD2 2.7Å; C545-H565 PolarHBondContact SG-NE2 3.46Å; E547-H565 HydrophobicContact CB-CB 4.47Å; E547-H565 WeakPolarHBondContact OE2-CB 3.48Å; E547-H565 IonicContact OE2-CD2 2.57Å; E547-H565 IonicContact OE2-CG 3.78Å; C548-H565 VanDerWaalsContact SG-CE1 3.51Å; C548-H565 PolarHBondContact SG-NE2 3.46Å; H561-H565 AromaticContact CD2-NE2 3.98Å; H561-H565 AromaticContact CE1-CE1 3.78Å; H561-H565 AromaticContact CE1-NE2 3.31Å; H561-H565 PolarHBondContact CE1-NE2 3.2Å; H561-H565 VanDerWaalsContact CE1-NE2 3.31Å; H561-H565 AromaticContact NE2-CE1 3.92Å; H561-H565 AromaticContact NE2-NE2 3.09Å; H561-H565 PolarHBondContact NE2-NE2 2.79Å; Q562-H565 PolarHBondContact O-N 3.46Å; Q562-H565 VanDerWaalsContact O-N 3.11Å; R563-H565 VanDerWaalsContact C-N 3.3Å; H565-G567 PolarHBondContact O-N 3.39Å
566T66.7Low71.6Confident72 Ų7271.3 Ų71.344%0.44238%0.382SS..SBendtrans-75-6.7178.2620000113.8Q562 R563 Q568Q562-T566 PolarHBondContact O-N 3.03Å; Q562-T566 VanDerWaalsContact O-N 3.11Å; Q562-T566 PolarHBondContact O-OG1 3.34Å; R563-T566 WeakPolarHBondContact CA-OG1 3.37Å; T566-Q568 PolarHBondContact O-N 2.91Å; T566-Q568 WeakPolarHBondContact OG1-CG 3.45Å
567G68.2Low72.3Confident50 Ų5069.4 Ų69.452%0.51538%0.376SS..  trans63.67.4-175.400000114.2R563 H565 R569R563-G567 PolarHBondContact O-N 3.46Å; H565-G567 PolarHBondContact O-N 3.39Å; G567-R569 WeakPolarHBondContact O-CG 3.35Å; G567-R569 PolarHBondContact O-N 3.09Å; G567-R569 VanDerWaalsContact O-N 3.14Å
568Q67.6Low73Confident118 Ų11873.7 Ų73.755%0.55139%0.389SS*.  trans-65.2116.8-177.8-75.1-175.9-3.200110.4R563 T566 P570R563-Q568 WeakPolarHBondContact CB-O 3.49Å; R563-Q568 HydrophobicContact CG-CB 4.36Å; R563-Q568 PolarHBondContact O-N 3.39Å; T566-Q568 PolarHBondContact O-N 2.91Å; T566-Q568 WeakPolarHBondContact OG1-CG 3.45Å; Q568-P570 WeakPolarHBondContact O-CD 3.5Å
569R74Confident73.3Confident139 Ų13974.8 Ų74.853%0.52540%0.396SS..  trans-122.577.2178.3-65.7170.787.4163.55108.8G567 Y571 T579 F580G567-R569 WeakPolarHBondContact O-CG 3.35Å; G567-R569 PolarHBondContact O-N 3.09Å; G567-R569 VanDerWaalsContact O-N 3.14Å; R569-Y571 PolarHBondContact O-N 3.14Å; R569-T579 VanDerWaalsContact CB-CB 3.48Å; R569-T579 WeakPolarHBondContact CB-OG1 3.48Å; R569-T579 WeakPolarHBondContact CD-OG1 3.33Å; R569-T579 PolarHBondContact NE-O 3.06Å; R569-T579 PolarHBondContact NE-OG1 2.94Å; R569-T579 VanDerWaalsContact NE-OG1 3.16Å; R569-T579 PolarHBondContact NH2-O 3.37Å; R569-F580 CarbonylContact C-O 3.29Å; R569-F580 VanDerWaalsContact C-O 3.23Å; R569-F580 VanDerWaalsContact CA-O 3.25Å; R569-F580 WeakPolarHBondContact CA-O 3.35Å
570P74.4Confident73.6Confident75 Ų7573.7 Ų73.749%0.48739%0.386SS..  trans-68.8-5.5-168.4-1933.3000114.9Q568Q568-P570 WeakPolarHBondContact O-CD 3.5Å
571Y79.3Confident73.5Confident68 Ų6873.2 Ų73.227%0.26739%0.388SS..EExtended strand (participates in β ladder)trans-115.3102-176.6-53.3-74.7000108.5R569 T579 F580 Q582 K583 F586R569-Y571 PolarHBondContact O-N 3.14Å; Y571-T579 CarbonylContact O-C 3.56Å; Y571-T579 WeakPolarHBondContact O-CA 3.43Å; Y571-F580 WeakPolarHBondContact CD2-O 3.31Å; Y571-F580 PolarHBondContact N-O 2.98Å; Y571-F580 PolarHBondContact O-N 3.16Å; Y571-Q582 VanDerWaalsContact CD2-C 3.43Å; Y571-K583 HydrophobicContact CD1-CB 4.34Å; Y571-K583 HydrophobicContact CD1-CG 4.49Å; Y571-K583 HydrophobicContact CE1-CB 3.83Å; Y571-K583 HydrophobicContact CE1-CD 4.42Å; Y571-K583 HydrophobicContact CE1-CG 4.11Å; Y571-K583 HydrophobicContact CE2-CB 4.02Å; Y571-F586 HydrophobicContact CG-CB 4.25Å; Y571-F586 HydrophobicContact CG-CG 4.47Å
572E79.5Confident73.4Confident111 Ų11175.9 Ų75.952%0.51940%0.4SS..EExtended strand (participates in β ladder)trans-100.5135.8179.2-177.1170.9175.200110.9T579 F586E572-T579 HydrophobicContact CB-CG2 4.03Å; E572-T579 HydrophobicContact CG-CG2 3.93Å; E572-F586 WeakPolarHBondContact O-CE2 3.43Å; E572-F586 WeakPolarHBondContact O-CZ 3.36Å
573C81.6Confident73.6Confident2 Ų279.4 Ų79.41%0.01442%0.415CS..  trans-86.9110.6171.4178.80000110E575 C576 G577 K578 F586 H589 H593C573-E575 PolarHBondContact O-N 3.33Å; C573-E575 VanDerWaalsContact O-N 3.13Å; C573-C576 PolarHBondContact O-N 2.77Å; C573-C576 VanDerWaalsContact SG-SG 3.66Å; C573-G577 VanDerWaalsContact O-CA 3.32Å; C573-G577 WeakPolarHBondContact O-CA 3.35Å; C573-G577 PolarHBondContact O-N 2.82Å; C573-K578 WeakPolarHBondContact CB-O 2.89Å; C573-K578 PolarHBondContact N-O 3.05Å; C573-F586 HydrophobicContact CB-CE2 4.06Å; C573-H589 PolarHBondContact SG-NE2 2.7Å; C573-H593 VanDerWaalsContact SG-CD2 3.51Å; C573-H593 PolarHBondContact SG-NE2 3.27Å
574N79.8Confident73.4Confident157 Ų15782.3 Ų82.384%0.8443%0.429SS*.THydrogen-bonded Turntrans-61-21.1179.1-60.4-12.6000113.4
575E77.1Confident73.7Confident131 Ų13180.2 Ų80.261%0.61242%0.418SS*.THydrogen-bonded Turntrans-87.1-25.1-177.3-66.1172.4158.400113.9C573 H593C573-E575 PolarHBondContact O-N 3.33Å; C573-E575 VanDerWaalsContact O-N 3.13Å; E575-H593 WeakPolarHBondContact OE2-CB 3.34Å; E575-H593 IonicContact OE2-CD2 2.95Å; E575-H593 PolarHBondContact OE2-CD2 3.03Å; E575-H593 IonicContact OE2-CG 3.08Å
576C79.6Confident74.1Confident51 Ų5178.5 Ų78.535%0.34541%0.41SS..THydrogen-bonded Turntrans-139.67.9-178.172.50000114.9C573 K578 H589 H593C573-C576 PolarHBondContact O-N 2.77Å; C573-C576 VanDerWaalsContact SG-SG 3.66Å; C576-K578 PolarHBondContact O-N 3.1Å; C576-H589 VanDerWaalsContact SG-CE1 3.52Å; C576-H589 PolarHBondContact SG-NE2 3.09Å; C576-H593 VanDerWaalsContact SG-CE1 3.59Å; C576-H593 PolarHBondContact SG-NE2 3.46Å
577G73.7Confident74.5Confident45 Ų4577.5 Ų77.546%0.46440%0.403SS..  trans65.53.4179.500000114.9C573 T579C573-G577 VanDerWaalsContact O-CA 3.32Å; C573-G577 WeakPolarHBondContact O-CA 3.35Å; C573-G577 PolarHBondContact O-N 2.82Å; G577-T579 PolarHBondContact O-N 3.26Å
578K76.1Confident74.7Confident123 Ų12376.8 Ų76.854%0.53539%0.387SS..  trans-71.5129.5179.2-71.6178.1-175169.20110C573 C576 F580C573-K578 WeakPolarHBondContact CB-O 2.89Å; C573-K578 PolarHBondContact N-O 3.05Å; C576-K578 PolarHBondContact O-N 3.1Å; K578-F580 HydrophobicContact CB-CE2 3.8Å; K578-F580 HydrophobicContact CB-CZ 3.97Å; K578-F580 VanDerWaalsContact O-CE2 3.3Å; K578-F580 WeakPolarHBondContact O-CE2 3.31Å
579T72.2Confident75.2Confident38 Ų3872.1 Ų72.123%0.23337%0.365CS..EExtended strand (participates in β ladder)trans-104.4150.3-179.759.10000111.3R569 Y571 E572 G577R569-T579 VanDerWaalsContact CB-CB 3.48Å; R569-T579 WeakPolarHBondContact CB-OG1 3.48Å; R569-T579 WeakPolarHBondContact CD-OG1 3.33Å; R569-T579 PolarHBondContact NE-O 3.06Å; R569-T579 PolarHBondContact NE-OG1 2.94Å; R569-T579 VanDerWaalsContact NE-OG1 3.16Å; R569-T579 PolarHBondContact NH2-O 3.37Å; Y571-T579 CarbonylContact O-C 3.56Å; Y571-T579 WeakPolarHBondContact O-CA 3.43Å; E572-T579 HydrophobicContact CB-CG2 4.03Å; E572-T579 HydrophobicContact CG-CG2 3.93Å; G577-T579 PolarHBondContact O-N 3.26Å
580F76.8Confident75.3Confident35 Ų3569.1 Ų69.115%0.15436%0.357CS..EExtended strand (participates in β ladder)trans-134.2145-176-60.2-94000111.6R569 Y571 K578 F586 H589R569-F580 CarbonylContact C-O 3.29Å; R569-F580 VanDerWaalsContact C-O 3.23Å; R569-F580 VanDerWaalsContact CA-O 3.25Å; R569-F580 WeakPolarHBondContact CA-O 3.35Å; Y571-F580 WeakPolarHBondContact CD2-O 3.31Å; Y571-F580 PolarHBondContact N-O 2.98Å; Y571-F580 PolarHBondContact O-N 3.16Å; K578-F580 HydrophobicContact CB-CE2 3.8Å; K578-F580 HydrophobicContact CB-CZ 3.97Å; K578-F580 VanDerWaalsContact O-CE2 3.3Å; K578-F580 WeakPolarHBondContact O-CE2 3.31Å; F580-F586 HydrophobicContact CB-CB 4.04Å; F580-F586 HydrophobicContact CD2-CB 4.16Å; F580-F586 AromaticContact CD2-CD2 3.84Å; F580-F586 HydrophobicContact CD2-CD2 3.84Å; F580-F586 HydrophobicContact CE2-CD2 4.37Å; F580-F586 HydrophobicContact CG-CB 4.17Å; F580-H589 HydrophobicContact CE1-CB 3.74Å; F580-H589 HydrophobicContact CE2-CB 3.82Å; F580-H589 AromaticContact CE2-CD2 3.17Å; F580-H589 WeakPolarHBondContact CE2-CD2 3.4Å; F580-H589 AromaticContact CE2-CG 3.55Å; F580-H589 AromaticContact CE2-NE2 3.91Å; F580-H589 HydrophobicContact CZ-CB 3.3Å; F580-H589 AromaticContact CZ-CD2 3.26Å; F580-H589 WeakPolarHBondContact CZ-CD2 3.16Å; F580-H589 AromaticContact CZ-CG 3.12Å; F580-H589 AromaticContact CZ-ND1 3.81Å; F580-H589 AromaticContact CZ-NE2 3.94Å
581C65.4Low75.7Confident37 Ų3767.7 Ų67.725%0.2534%0.342CS..SBendtrans-84.7-16178.956.50000113.4H560 R563H560-C581 VanDerWaalsContact CE1-SG 3.6Å; H560-C581 PolarHBondContact ND1-O 3.28Å; R563-C581 HydrophobicContact CB-CB 4.29Å; R563-C581 WeakPolarHBondContact CD-O 3.37Å; R563-C581 PolarHBondContact NH1-O 3.05Å
582Q68.6Low75.5Confident70 Ų7068.3 Ų68.333%0.32735%0.353SS..SBendtrans-126.7141.6177.4-63-172.110.600111.7H560 Y571 F584 S585 F586H560-Q582 PolarHBondContact CD2-NE2 3.02Å; H560-Q582 WeakPolarHBondContact CE1-CG 3.36Å; H560-Q582 PolarHBondContact CE1-NE2 3.2Å; H560-Q582 VanDerWaalsContact CE1-NE2 3.35Å; H560-Q582 VanDerWaalsContact ND1-CG 3.27Å; H560-Q582 WeakPolarHBondContact ND1-CG 3.5Å; H560-Q582 WeakPolarHBondContact NE2-CG 3.25Å; H560-Q582 PolarHBondContact NE2-NE2 2.88Å; Y571-Q582 VanDerWaalsContact CD2-C 3.43Å; Q582-F584 VanDerWaalsContact C-N 3.3Å; Q582-F584 PolarHBondContact O-N 3.27Å; Q582-S585 PolarHBondContact O-N 3.32Å; Q582-F586 PolarHBondContact O-N 3.2Å; Q582-F586 VanDerWaalsContact O-N 3.12Å
583K73.4Confident75.4Confident135 Ų13566.6 Ų66.659%0.58735%0.345SS*.Hα-helixtrans-60.8-38.1173.4-172.3172.7-179.9172.80112.3Y571 F586 V587Y571-K583 HydrophobicContact CD1-CB 4.34Å; Y571-K583 HydrophobicContact CD1-CG 4.49Å; Y571-K583 HydrophobicContact CE1-CB 3.83Å; Y571-K583 HydrophobicContact CE1-CD 4.42Å; Y571-K583 HydrophobicContact CE1-CG 4.11Å; Y571-K583 HydrophobicContact CE2-CB 4.02Å; K583-F586 WeakPolarHBondContact O-CB 3.41Å; K583-F586 PolarHBondContact O-N 3.43Å; K583-V587 HydrophobicContact CG-CG2 4.39Å; K583-V587 WeakPolarHBondContact O-CG2 3.39Å; K583-V587 PolarHBondContact O-N 3.31Å
584F73.4Confident75.1Confident121 Ų12170.1 Ų70.153%0.53137%0.366SS..Hα-helixtrans-62.4-48.4179.6176-99.4000111.8Q582 F586 V587 E588Q582-F584 VanDerWaalsContact C-N 3.3Å; Q582-F584 PolarHBondContact O-N 3.27Å; F584-F586 VanDerWaalsContact C-N 3.29Å; F584-F586 PolarHBondContact O-N 3.14Å; F584-V587 PolarHBondContact O-N 3.49Å; F584-E588 HydrophobicContact CD1-CG 4.49Å; F584-E588 HydrophobicContact CE1-CG 4Å; F584-E588 WeakPolarHBondContact CE1-OE1 3.3Å; F584-E588 VanDerWaalsContact CE1-OE2 3.24Å; F584-E588 WeakPolarHBondContact CE1-OE2 3.31Å; F584-E588 HydrophobicContact CE2-CG 4.29Å; F584-E588 HydrophobicContact CZ-CG 3.89Å; F584-E588 WeakPolarHBondContact CZ-OE1 3.27Å; F584-E588 PolarHBondContact O-N 3.09Å
585S72.8Confident74.9Confident39 Ų3964.9 Ų64.927%0.27335%0.349SS..Hα-helixtrans-63.8-34.2176.8-52.70000112.7Q582 H589Q582-S585 PolarHBondContact O-N 3.32Å; S585-H589 WeakPolarHBondContact O-CB 3.43Å; S585-H589 PolarHBondContact O-N 3.32Å
586F75.4Confident74.8Confident31 Ų3163.8 Ų63.814%0.13634%0.344CS..Hα-helixtrans-63.8-48.7172.6172.4-112.3000112.2Y571 E572 C573 F580 Q582 K583 F584 E588 H589 Q590Y571-F586 HydrophobicContact CG-CB 4.25Å; Y571-F586 HydrophobicContact CG-CG 4.47Å; E572-F586 WeakPolarHBondContact O-CE2 3.43Å; E572-F586 WeakPolarHBondContact O-CZ 3.36Å; C573-F586 HydrophobicContact CB-CE2 4.06Å; F580-F586 HydrophobicContact CB-CB 4.04Å; F580-F586 HydrophobicContact CD2-CB 4.16Å; F580-F586 AromaticContact CD2-CD2 3.84Å; F580-F586 HydrophobicContact CD2-CD2 3.84Å; F580-F586 HydrophobicContact CE2-CD2 4.37Å; F580-F586 HydrophobicContact CG-CB 4.17Å; Q582-F586 PolarHBondContact O-N 3.2Å; Q582-F586 VanDerWaalsContact O-N 3.12Å; K583-F586 WeakPolarHBondContact O-CB 3.41Å; K583-F586 PolarHBondContact O-N 3.43Å; F584-F586 VanDerWaalsContact C-N 3.29Å; F584-F586 PolarHBondContact O-N 3.14Å; F586-E588 VanDerWaalsContact C-N 3.35Å; F586-E588 PolarHBondContact O-N 3.48Å; F586-H589 WeakPolarHBondContact O-CB 3.27Å; F586-H589 PolarHBondContact O-N 3.41Å; F586-H589 VanDerWaalsContact O-N 3.12Å; F586-Q590 HydrophobicContact CD2-CG 4.39Å; F586-Q590 VanDerWaalsContact CE1-CD 3.41Å; F586-Q590 HydrophobicContact CE1-CG 4.2Å; F586-Q590 HydrophobicContact CE2-CG 3.95Å; F586-Q590 HydrophobicContact CZ-CG 3.87Å; F586-Q590 VanDerWaalsContact CZ-NE2 3.35Å; F586-Q590 WeakPolarHBondContact O-CG 3.42Å; F586-Q590 PolarHBondContact O-N 2.67Å
587V75Confident74.8Confident51 Ų5167.4 Ų67.431%0.30935%0.354SS..Hα-helixtrans-64.1-39.1177.8172.70000111.4K583 F584 H589 Q590 R591K583-V587 HydrophobicContact CG-CG2 4.39Å; K583-V587 WeakPolarHBondContact O-CG2 3.39Å; K583-V587 PolarHBondContact O-N 3.31Å; F584-V587 PolarHBondContact O-N 3.49Å; V587-H589 VanDerWaalsContact C-N 3.31Å; V587-H589 PolarHBondContact O-N 3.24Å; V587-Q590 PolarHBondContact O-N 3.25Å; V587-R591 WeakPolarHBondContact O-CG 3.38Å; V587-R591 PolarHBondContact O-N 3.11Å
588E73.9Confident74.8Confident36 Ų3668.8 Ų68.817%0.16836%0.355CS..Hα-helixtrans-62.9-38.8172.5-77.1-167.9145.200112.1F584 F586 R591F584-E588 HydrophobicContact CD1-CG 4.49Å; F584-E588 HydrophobicContact CE1-CG 4Å; F584-E588 WeakPolarHBondContact CE1-OE1 3.3Å; F584-E588 VanDerWaalsContact CE1-OE2 3.24Å; F584-E588 WeakPolarHBondContact CE1-OE2 3.31Å; F584-E588 HydrophobicContact CE2-CG 4.29Å; F584-E588 HydrophobicContact CZ-CG 3.89Å; F584-E588 WeakPolarHBondContact CZ-OE1 3.27Å; F584-E588 PolarHBondContact O-N 3.09Å; F586-E588 VanDerWaalsContact C-N 3.35Å; F586-E588 PolarHBondContact O-N 3.48Å; E588-R591 WeakPolarHBondContact O-CB 3.39Å; E588-R591 PolarHBondContact O-N 2.97Å
589H78.1Confident75Confident20 Ų2065.8 Ų65.89%0.09334%0.34CS..Hα-helixtrans-68.4-39.9176.1170.960000113C573 C576 F580 S585 F586 V587 R591 T592 H593C573-H589 PolarHBondContact SG-NE2 2.7Å; C576-H589 VanDerWaalsContact SG-CE1 3.52Å; C576-H589 PolarHBondContact SG-NE2 3.09Å; F580-H589 HydrophobicContact CE1-CB 3.74Å; F580-H589 HydrophobicContact CE2-CB 3.82Å; F580-H589 AromaticContact CE2-CD2 3.17Å; F580-H589 WeakPolarHBondContact CE2-CD2 3.4Å; F580-H589 AromaticContact CE2-CG 3.55Å; F580-H589 AromaticContact CE2-NE2 3.91Å; F580-H589 HydrophobicContact CZ-CB 3.3Å; F580-H589 AromaticContact CZ-CD2 3.26Å; F580-H589 WeakPolarHBondContact CZ-CD2 3.16Å; F580-H589 AromaticContact CZ-CG 3.12Å; F580-H589 AromaticContact CZ-ND1 3.81Å; F580-H589 AromaticContact CZ-NE2 3.94Å; S585-H589 WeakPolarHBondContact O-CB 3.43Å; S585-H589 PolarHBondContact O-N 3.32Å; F586-H589 WeakPolarHBondContact O-CB 3.27Å; F586-H589 PolarHBondContact O-N 3.41Å; F586-H589 VanDerWaalsContact O-N 3.12Å; V587-H589 VanDerWaalsContact C-N 3.31Å; V587-H589 PolarHBondContact O-N 3.24Å; H589-R591 PolarHBondContact O-N 3.4Å; H589-R591 VanDerWaalsContact O-N 3.15Å; H589-T592 PolarHBondContact ND1-OG1 3.41Å; H589-T592 WeakPolarHBondContact O-CB 3.41Å; H589-T592 PolarHBondContact O-N 3.25Å; H589-T592 PolarHBondContact O-OG1 2.86Å; H589-H593 AromaticContact CE1-CE1 3.87Å; H589-H593 AromaticContact CE1-NE2 3.3Å; H589-H593 PolarHBondContact CE1-NE2 2.75Å; H589-H593 VanDerWaalsContact CE1-NE2 3.3Å; H589-H593 AromaticContact NE2-CD2 3.93Å; H589-H593 AromaticContact NE2-NE2 3.13Å; H589-H593 PolarHBondContact NE2-NE2 3.37Å; H589-H593 VanDerWaalsContact NE2-NE2 3.13Å
590Q76Confident75.4Confident76 Ų7669.1 Ų69.136%0.35535%0.354SS..Hα-helixtrans-57.1-32.4176.5-73.3-177.3-64.200112.2F586 V587 T592 H593 T594F586-Q590 HydrophobicContact CD2-CG 4.39Å; F586-Q590 VanDerWaalsContact CE1-CD 3.41Å; F586-Q590 HydrophobicContact CE1-CG 4.2Å; F586-Q590 HydrophobicContact CE2-CG 3.95Å; F586-Q590 HydrophobicContact CZ-CG 3.87Å; F586-Q590 VanDerWaalsContact CZ-NE2 3.35Å; F586-Q590 WeakPolarHBondContact O-CG 3.42Å; F586-Q590 PolarHBondContact O-N 2.67Å; V587-Q590 PolarHBondContact O-N 3.25Å; Q590-T592 PolarHBondContact O-N 3.19Å; Q590-T592 VanDerWaalsContact O-N 3.16Å; Q590-H593 PolarHBondContact O-N 2.99Å; Q590-T594 PolarHBondContact O-N 3.1Å; Q590-T594 VanDerWaalsContact O-N 3.14Å; Q590-T594 PolarHBondContact O-OG1 3.34Å
591R81.1Confident75.7Confident44 Ų4467.6 Ų67.617%0.16635%0.347CS..Hα-helixtrans-63.4-18.6174.7-62.8174.4-174.9170.81.6114V587 E588 H589 H593 T594 G595 E596 C609V587-R591 WeakPolarHBondContact O-CG 3.38Å; V587-R591 PolarHBondContact O-N 3.11Å; E588-R591 WeakPolarHBondContact O-CB 3.39Å; E588-R591 PolarHBondContact O-N 2.97Å; H589-R591 PolarHBondContact O-N 3.4Å; H589-R591 VanDerWaalsContact O-N 3.15Å; R591-H593 VanDerWaalsContact C-N 3.3Å; R591-T594 WeakPolarHBondContact CA-OG1 3.41Å; R591-G595 WeakPolarHBondContact O-CA 3.18Å; R591-G595 PolarHBondContact O-N 2.95Å; R591-G595 VanDerWaalsContact O-N 3.09Å; R591-E596 HydrophobicContact CB-CB 4.35Å; R591-E596 HydrophobicContact CG-CB 4.16Å; R591-E596 PolarHBondContact O-N 2.9Å; R591-C609 PolarHBondContact NH1-O 2.96Å
592T76.6Confident76.5Confident82 Ų8273.1 Ų73.150%0.50337%0.374SS..Hα-helixtrans-74.5-24.4174.767.40000112.5H589 Q590H589-T592 PolarHBondContact ND1-OG1 3.41Å; H589-T592 WeakPolarHBondContact O-CB 3.41Å; H589-T592 PolarHBondContact O-N 3.25Å; H589-T592 PolarHBondContact O-OG1 2.86Å; Q590-T592 PolarHBondContact O-N 3.19Å; Q590-T592 VanDerWaalsContact O-N 3.16Å
593H77.5Confident77Confident74 Ų7475.5 Ų75.534%0.34339%0.385SS..Hα-helixtrans-90-43.8176.9-57.9-54.6000111.5C573 E575 C576 H589 Q590 R591 G595C573-H593 VanDerWaalsContact SG-CD2 3.51Å; C573-H593 PolarHBondContact SG-NE2 3.27Å; E575-H593 WeakPolarHBondContact OE2-CB 3.34Å; E575-H593 IonicContact OE2-CD2 2.95Å; E575-H593 PolarHBondContact OE2-CD2 3.03Å; E575-H593 IonicContact OE2-CG 3.08Å; C576-H593 VanDerWaalsContact SG-CE1 3.59Å; C576-H593 PolarHBondContact SG-NE2 3.46Å; H589-H593 AromaticContact CE1-CE1 3.87Å; H589-H593 AromaticContact CE1-NE2 3.3Å; H589-H593 PolarHBondContact CE1-NE2 2.75Å; H589-H593 VanDerWaalsContact CE1-NE2 3.3Å; H589-H593 AromaticContact NE2-CD2 3.93Å; H589-H593 AromaticContact NE2-NE2 3.13Å; H589-H593 PolarHBondContact NE2-NE2 3.37Å; H589-H593 VanDerWaalsContact NE2-NE2 3.13Å; Q590-H593 PolarHBondContact O-N 2.99Å; R591-H593 VanDerWaalsContact C-N 3.3Å; H593-G595 PolarHBondContact O-N 3.46Å
594T74.8Confident77.5Confident77 Ų7771.5 Ų71.547%0.47237%0.374SS..Hα-helixtrans-74.9-13.3178.764.10000113.4Q590 R591 E596Q590-T594 PolarHBondContact O-N 3.1Å; Q590-T594 VanDerWaalsContact O-N 3.14Å; Q590-T594 PolarHBondContact O-OG1 3.34Å; R591-T594 WeakPolarHBondContact CA-OG1 3.41Å; T594-E596 PolarHBondContact O-N 2.77Å; T594-E596 WeakPolarHBondContact OG1-CG 3.33Å
595G75.9Confident77.6Confident47 Ų4768 Ų6849%0.48537%0.371SS..  trans69.57.4-176.500000114.1R591 H593 K597R591-G595 WeakPolarHBondContact O-CA 3.18Å; R591-G595 PolarHBondContact O-N 2.95Å; R591-G595 VanDerWaalsContact O-N 3.09Å; H593-G595 PolarHBondContact O-N 3.46Å; G595-K597 PolarHBondContact O-N 2.97Å
596E73.8Confident78Confident108 Ų10872.1 Ų72.151%0.50539%0.385SS..  trans-59.6123.9-179.9-78.6-179.8-163.900111.5R591 T594 P598R591-E596 HydrophobicContact CB-CB 4.35Å; R591-E596 HydrophobicContact CG-CB 4.16Å; R591-E596 PolarHBondContact O-N 2.9Å; T594-E596 PolarHBondContact O-N 2.77Å; T594-E596 WeakPolarHBondContact OG1-CG 3.33Å; E596-P598 WeakPolarHBondContact O-CD 3.48Å
597K79.5Confident78.3Confident127 Ų12772.6 Ų72.655%0.55239%0.391SS*.  trans-122.376.8177.3-69.8166178.6177.60110.2G595 Y599 S607 F608G595-K597 PolarHBondContact O-N 2.97Å; K597-Y599 PolarHBondContact O-N 2.87Å; K597-Y599 VanDerWaalsContact O-N 3.07Å; K597-S607 WeakPolarHBondContact CD-O 3.14Å; K597-F608 CarbonylContact C-O 3.01Å; K597-F608 WeakPolarHBondContact CA-O 3.15Å
598P73.9Confident78.5Confident73 Ų7372.3 Ų72.347%0.47439%0.386SS..  trans-69.4-9.2-171.4-19.433.3000114.8E596E596-P598 WeakPolarHBondContact O-CD 3.48Å
599Y81.2Confident78.3Confident60 Ų6072.4 Ų72.424%0.23539%0.39CS..EExtended strand (participates in β ladder)trans-109.787.6-175.7-54.2-69.8000110K597 S607 F608 K611 F614K597-Y599 PolarHBondContact O-N 2.87Å; K597-Y599 VanDerWaalsContact O-N 3.07Å; Y599-S607 CarbonylContact O-C 3.26Å; Y599-S607 WeakPolarHBondContact O-CA 3.39Å; Y599-F608 WeakPolarHBondContact CD2-O 3.29Å; Y599-F608 PolarHBondContact N-O 2.82Å; Y599-F608 PolarHBondContact O-N 3.36Å; Y599-K611 HydrophobicContact CD1-CB 4.43Å; Y599-K611 HydrophobicContact CD2-CB 4.42Å; Y599-K611 HydrophobicContact CE1-CB 4.01Å; Y599-K611 HydrophobicContact CE1-CD 4.35Å; Y599-K611 HydrophobicContact CE1-CG 4.19Å; Y599-K611 HydrophobicContact CE2-CB 3.98Å; Y599-F614 HydrophobicContact CG-CB 4.46Å
600E80.8Confident77.9Confident109 Ų10974.3 Ų74.351%0.50940%0.399SS..EExtended strand (participates in β ladder)trans-86.7139.2176.5-175.3171.4172.800111.9S607 F614E600-S607 WeakPolarHBondContact CG-OG 3.32Å; E600-F614 VanDerWaalsContact O-CE2 3.24Å; E600-F614 WeakPolarHBondContact O-CE2 3.42Å; E600-F614 WeakPolarHBondContact O-CZ 3.15Å
601C82.9Confident77.7Confident3 Ų376.5 Ų76.52%0.0241%0.408CS..  trans-91.2106.2170.6-1770000110.5E603 C604 G605 K606 F614 H617 H621C601-E603 PolarHBondContact O-N 3.15Å; C601-C604 PolarHBondContact O-N 3.45Å; C601-C604 VanDerWaalsContact O-N 3.11Å; C601-C604 VanDerWaalsContact SG-SG 3.65Å; C601-G605 WeakPolarHBondContact O-CA 3.48Å; C601-G605 PolarHBondContact O-N 3.18Å; C601-K606 WeakPolarHBondContact CB-O 3.37Å; C601-K606 PolarHBondContact N-O 3.23Å; C601-F614 HydrophobicContact CB-CD2 4.46Å; C601-F614 HydrophobicContact CB-CE2 3.85Å; C601-H617 PolarHBondContact SG-NE2 2.92Å; C601-H621 PolarHBondContact SG-CD2 3.47Å; C601-H621 PolarHBondContact SG-NE2 3.45Å
602N82.1Confident77.1Confident153 Ų15378.1 Ų78.182%0.81843%0.426SS*.THydrogen-bonded Turntrans-58.2-20.8178.3-57-2.8000113.8
603E79.8Confident77Confident119 Ų11976.1 Ų76.156%0.55642%0.417SS*.THydrogen-bonded Turntrans-85.2-21.4-179.3-67.1165.9168.400113.4C601 H621C601-E603 PolarHBondContact O-N 3.15Å; E603-H621 WeakPolarHBondContact OE2-CB 3.37Å; E603-H621 IonicContact OE2-CD2 3.56Å; E603-H621 PolarHBondContact OE2-CD2 3.44Å; E603-H621 IonicContact OE2-CG 3.17Å
604C82.4Confident77Confident52 Ų5274.7 Ų74.735%0.35141%0.41SS..THydrogen-bonded Turntrans-145.19.2-177.871.20000115.2C601 K606 H617 H621C601-C604 PolarHBondContact O-N 3.45Å; C601-C604 VanDerWaalsContact O-N 3.11Å; C601-C604 VanDerWaalsContact SG-SG 3.65Å; C604-K606 PolarHBondContact O-N 2.56Å; C604-H617 PolarHBondContact SG-CE1 3.38Å; C604-H617 PolarHBondContact SG-NE2 3.37Å; C604-H621 PolarHBondContact SG-NE2 2.76Å
605G77.3Confident76.9Confident46 Ų4678.3 Ų78.347%0.47442%0.415SS..  trans65.72.3-179.800000115.3C601 S607C601-G605 WeakPolarHBondContact O-CA 3.48Å; C601-G605 PolarHBondContact O-N 3.18Å; G605-S607 PolarHBondContact O-N 2.87Å
606K81.2Confident76.7Confident127 Ų12777.8 Ų77.855%0.55240%0.402SS*.  trans-75122.6-178.8-70.6-179.1-178.1175.50110.6C601 C604 F608C601-K606 WeakPolarHBondContact CB-O 3.37Å; C601-K606 PolarHBondContact N-O 3.23Å; C604-K606 PolarHBondContact O-N 2.56Å; K606-F608 HydrophobicContact CB-CE2 3.86Å; K606-F608 HydrophobicContact CB-CZ 4Å; K606-F608 WeakPolarHBondContact O-CD2 3.37Å; K606-F608 VanDerWaalsContact O-CE2 3.28Å; K606-F608 WeakPolarHBondContact O-CE2 3.48Å
607S81.2Confident77Confident40 Ų4073.3 Ų73.328%0.2838%0.382SS..EExtended strand (participates in β ladder)trans-103.9140.4178.7-52.90000112.2K597 Y599 E600 G605K597-S607 WeakPolarHBondContact CD-O 3.14Å; Y599-S607 CarbonylContact O-C 3.26Å; Y599-S607 WeakPolarHBondContact O-CA 3.39Å; E600-S607 WeakPolarHBondContact CG-OG 3.32Å; G605-S607 PolarHBondContact O-N 2.87Å
608F78.4Confident76.8Confident45 Ų4572.3 Ų72.320%0.19737%0.374CS..EExtended strand (participates in β ladder)trans-122.8144.2-176.2-58.7-92.1000110.8K597 Y599 K606 A613 F614 H617K597-F608 CarbonylContact C-O 3.01Å; K597-F608 WeakPolarHBondContact CA-O 3.15Å; Y599-F608 WeakPolarHBondContact CD2-O 3.29Å; Y599-F608 PolarHBondContact N-O 2.82Å; Y599-F608 PolarHBondContact O-N 3.36Å; K606-F608 HydrophobicContact CB-CE2 3.86Å; K606-F608 HydrophobicContact CB-CZ 4Å; K606-F608 WeakPolarHBondContact O-CD2 3.37Å; K606-F608 VanDerWaalsContact O-CE2 3.28Å; K606-F608 WeakPolarHBondContact O-CE2 3.48Å; F608-A613 HydrophobicContact CB-CB 4.47Å; F608-A613 HydrophobicContact CD1-CB 3.95Å; F608-A613 HydrophobicContact CG-CB 4.48Å; F608-F614 HydrophobicContact CB-CB 4.21Å; F608-F614 HydrophobicContact CD2-CB 4.11Å; F608-F614 AromaticContact CD2-CD2 3.86Å; F608-F614 HydrophobicContact CD2-CD2 3.86Å; F608-F614 HydrophobicContact CE2-CD2 4.3Å; F608-F614 HydrophobicContact CG-CB 4.29Å; F608-H617 HydrophobicContact CE1-CB 4.01Å; F608-H617 HydrophobicContact CE2-CB 3.78Å; F608-H617 AromaticContact CE2-CD2 3.35Å; F608-H617 WeakPolarHBondContact CE2-CD2 3.4Å; F608-H617 AromaticContact CE2-CG 3.42Å; F608-H617 VanDerWaalsContact CE2-CG 3.42Å; F608-H617 AromaticContact CE2-NE2 3.93Å; F608-H617 HydrophobicContact CZ-CB 3.44Å; F608-H617 VanDerWaalsContact CZ-CB 3.44Å; F608-H617 AromaticContact CZ-CD2 3.59Å; F608-H617 AromaticContact CZ-CE1 3.99Å; F608-H617 AromaticContact CZ-CG 3.16Å; F608-H617 AromaticContact CZ-ND1 3.45Å; F608-H617 WeakPolarHBondContact CZ-ND1 3.37Å
609C69.3Low77.1Confident38 Ų3870.8 Ų70.826%0.25736%0.359SS..SBendtrans-74.1-27.1173.254.10000112.5R591R591-C609 PolarHBondContact NH1-O 2.96Å
610H70.3Confident77Confident61 Ų6172 Ų7228%0.28237%0.369SS..SBendtrans-118.3137.7-174.9-57.7167.3000112.9S612 A613 F614H610-S612 VanDerWaalsContact C-N 3.31Å; H610-S612 PolarHBondContact O-N 3.1Å; H610-A613 HydrophobicContact CB-CB 4.26Å; H610-A613 PolarHBondContact O-N 2.9Å; H610-F614 PolarHBondContact O-N 3.1Å; H610-F614 VanDerWaalsContact O-N 3.11Å
611K71.6Confident76.8Confident121 Ų12170.2 Ų70.253%0.52636%0.36SS..Hα-helixtrans-65.2-32178.4-170.6172.7-177.1172.20113.2Y599 R615Y599-K611 HydrophobicContact CD1-CB 4.43Å; Y599-K611 HydrophobicContact CD2-CB 4.42Å; Y599-K611 HydrophobicContact CE1-CB 4.01Å; Y599-K611 HydrophobicContact CE1-CD 4.35Å; Y599-K611 HydrophobicContact CE1-CG 4.19Å; Y599-K611 HydrophobicContact CE2-CB 3.98Å; K611-R615 WeakPolarHBondContact O-CB 3.25Å; K611-R615 PolarHBondContact O-N 2.68Å
612S69.2Low76.3Confident79 Ų7972.8 Ų72.855%0.55238%0.376SS*.Hα-helixtrans-66.8-44.6177.353.40000111.6H610 R615 V616H610-S612 VanDerWaalsContact C-N 3.31Å; H610-S612 PolarHBondContact O-N 3.1Å; S612-R615 PolarHBondContact O-N 3.21Å; S612-V616 WeakPolarHBondContact O-CG2 3.46Å; S612-V616 PolarHBondContact O-N 3.37Å
613A73.7Confident75.9Confident39 Ų3967.5 Ų67.532%0.32236%0.357SS..Hα-helixtrans-62.1-45.417500000111.1F608 H610 R615 V616 H617F608-A613 HydrophobicContact CB-CB 4.47Å; F608-A613 HydrophobicContact CD1-CB 3.95Å; F608-A613 HydrophobicContact CG-CB 4.48Å; H610-A613 HydrophobicContact CB-CB 4.26Å; H610-A613 PolarHBondContact O-N 2.9Å; A613-R615 PolarHBondContact O-N 3.19Å; A613-V616 PolarHBondContact O-N 3.4Å; A613-H617 VanDerWaalsContact O-CB 3.3Å; A613-H617 WeakPolarHBondContact O-CB 3.21Å; A613-H617 PolarHBondContact O-N 3.16Å
614F76.9Confident75.4Confident45 Ų4566.9 Ų66.920%0.19736%0.355CS..Hα-helixtrans-58.2-46.2174176.3-114.6000112.8Y599 E600 C601 F608 H610 V616 H617 R618Y599-F614 HydrophobicContact CG-CB 4.46Å; E600-F614 VanDerWaalsContact O-CE2 3.24Å; E600-F614 WeakPolarHBondContact O-CE2 3.42Å; E600-F614 WeakPolarHBondContact O-CZ 3.15Å; C601-F614 HydrophobicContact CB-CD2 4.46Å; C601-F614 HydrophobicContact CB-CE2 3.85Å; F608-F614 HydrophobicContact CB-CB 4.21Å; F608-F614 HydrophobicContact CD2-CB 4.11Å; F608-F614 AromaticContact CD2-CD2 3.86Å; F608-F614 HydrophobicContact CD2-CD2 3.86Å; F608-F614 HydrophobicContact CE2-CD2 4.3Å; F608-F614 HydrophobicContact CG-CB 4.29Å; H610-F614 PolarHBondContact O-N 3.1Å; H610-F614 VanDerWaalsContact O-N 3.11Å; F614-V616 VanDerWaalsContact C-N 3.34Å; F614-V616 PolarHBondContact O-N 2.83Å; F614-H617 WeakPolarHBondContact O-CB 3.38Å; F614-H617 PolarHBondContact O-N 2.95Å; F614-R618 HydrophobicContact CE1-CG 4.26Å; F614-R618 HydrophobicContact CE2-CG 4.03Å; F614-R618 HydrophobicContact CZ-CG 3.91Å; F614-R618 PolarHBondContact O-N 3.37Å
615R73.4Confident75Confident153 Ų15369.7 Ų69.758%0.57736%0.361SS*.Hα-helixtrans-61.1-41.7178-178.5-176.8-73.7169.1-6.4112.2K611 S612 A613K611-R615 WeakPolarHBondContact O-CB 3.25Å; K611-R615 PolarHBondContact O-N 2.68Å; S612-R615 PolarHBondContact O-N 3.21Å; A613-R615 PolarHBondContact O-N 3.19Å
616V71.5Confident74.5Confident35 Ų3571 Ų7121%0.21236%0.361CS..Hα-helixtrans-70.8-35.2177.8173.60000111.1S612 A613 F614 R619 R638S612-V616 WeakPolarHBondContact O-CG2 3.46Å; S612-V616 PolarHBondContact O-N 3.37Å; A613-V616 PolarHBondContact O-N 3.4Å; F614-V616 VanDerWaalsContact C-N 3.34Å; F614-V616 PolarHBondContact O-N 2.83Å; V616-R619 WeakPolarHBondContact O-CB 3.34Å; V616-R619 PolarHBondContact O-N 2.81Å; V616-R638 HydrophobicContact CG1-CG 3.85Å
617H79.8Confident74Confident14 Ų1468.4 Ų68.47%0.06535%0.348CS..Hα-helixtrans-65-41.8174.5170.275.2000112.2C601 C604 F608 A613 F614 R619 I620 H621C601-H617 PolarHBondContact SG-NE2 2.92Å; C604-H617 PolarHBondContact SG-CE1 3.38Å; C604-H617 PolarHBondContact SG-NE2 3.37Å; F608-H617 HydrophobicContact CE1-CB 4.01Å; F608-H617 HydrophobicContact CE2-CB 3.78Å; F608-H617 AromaticContact CE2-CD2 3.35Å; F608-H617 WeakPolarHBondContact CE2-CD2 3.4Å; F608-H617 AromaticContact CE2-CG 3.42Å; F608-H617 VanDerWaalsContact CE2-CG 3.42Å; F608-H617 AromaticContact CE2-NE2 3.93Å; F608-H617 HydrophobicContact CZ-CB 3.44Å; F608-H617 VanDerWaalsContact CZ-CB 3.44Å; F608-H617 AromaticContact CZ-CD2 3.59Å; F608-H617 AromaticContact CZ-CE1 3.99Å; F608-H617 AromaticContact CZ-CG 3.16Å; F608-H617 AromaticContact CZ-ND1 3.45Å; F608-H617 WeakPolarHBondContact CZ-ND1 3.37Å; A613-H617 VanDerWaalsContact O-CB 3.3Å; A613-H617 WeakPolarHBondContact O-CB 3.21Å; A613-H617 PolarHBondContact O-N 3.16Å; F614-H617 WeakPolarHBondContact O-CB 3.38Å; F614-H617 PolarHBondContact O-N 2.95Å; H617-R619 PolarHBondContact O-N 3.05Å; H617-R619 VanDerWaalsContact O-N 3.09Å; H617-I620 WeakPolarHBondContact O-CB 3.47Å; H617-I620 WeakPolarHBondContact O-CG1 3.4Å; H617-I620 PolarHBondContact O-N 3.38Å; H617-H621 AromaticContact CE1-NE2 3.63Å; H617-H621 AromaticContact NE2-CD2 3.94Å; H617-H621 AromaticContact NE2-NE2 3.17Å; H617-H621 PolarHBondContact NE2-NE2 3.48Å; H617-H621 VanDerWaalsContact NE2-NE2 3.17Å
618R76.6Confident73.3Confident107 Ų10771.7 Ų71.740%0.40436%0.359SS..Hα-helixtrans-55.6-29.6175.7-80.1-173.163.2-110.9-1.1113.9F614 I620 H621 T622F614-R618 HydrophobicContact CE1-CG 4.26Å; F614-R618 HydrophobicContact CE2-CG 4.03Å; F614-R618 HydrophobicContact CZ-CG 3.91Å; F614-R618 PolarHBondContact O-N 3.37Å; R618-I620 PolarHBondContact O-N 3.45Å; R618-I620 VanDerWaalsContact O-N 3.14Å; R618-H621 PolarHBondContact O-N 3.01Å; R618-H621 VanDerWaalsContact O-N 3.14Å; R618-T622 PolarHBondContact O-N 3.28Å; R618-T622 VanDerWaalsContact O-N 3.1Å; R618-T622 PolarHBondContact O-OG1 3.37Å
619R79.9Confident73.1Confident41 Ų4169.6 Ų69.616%0.15535%0.35CS..Hα-helixtrans-66.9-10.2175.1-60177.8-177.4175.3-4113.7V616 H617 T622 G623 E624 R637V616-R619 WeakPolarHBondContact O-CB 3.34Å; V616-R619 PolarHBondContact O-N 2.81Å; H617-R619 PolarHBondContact O-N 3.05Å; H617-R619 VanDerWaalsContact O-N 3.09Å; R619-T622 WeakPolarHBondContact CA-OG1 3.45Å; R619-G623 PolarHBondContact O-N 3.02Å; R619-E624 HydrophobicContact CB-CB 4.48Å; R619-E624 HydrophobicContact CG-CB 4.32Å; R619-R637 VanDerWaalsContact C-NE 3.27Å; R619-R637 HydrophobicContact CB-CG 3.54Å; R619-R637 HydrophobicContact CG-CG 4.39Å; R619-R637 PolarHBondContact NH1-O 3.28Å; R619-R637 VanDerWaalsContact O-CZ 3.29Å; R619-R637 PolarHBondContact O-NE 3.01Å; R619-R637 PolarHBondContact O-NH2 3.37Å; R619-R637 VanDerWaalsContact O-NH2 3.13Å
620I79.3Confident73.3Confident84 Ų8471.1 Ų71.143%0.43136%0.356SS..Hα-helixtrans-67.3-49.1170.8-58.5179.3000109.5H617 R618 R637H617-I620 WeakPolarHBondContact O-CB 3.47Å; H617-I620 WeakPolarHBondContact O-CG1 3.4Å; H617-I620 PolarHBondContact O-N 3.38Å; R618-I620 PolarHBondContact O-N 3.45Å; R618-I620 VanDerWaalsContact O-N 3.14Å; I620-R637 VanDerWaalsContact CA-CZ 3.46Å
621H76.3Confident73.5Confident73 Ų7373.2 Ų73.234%0.33837%0.366SS..Hα-helixtrans-78.2-40.8-176.5-52.6-50.2000112.2C601 E603 C604 H617 R618 G623C601-H621 PolarHBondContact SG-CD2 3.47Å; C601-H621 PolarHBondContact SG-NE2 3.45Å; E603-H621 WeakPolarHBondContact OE2-CB 3.37Å; E603-H621 IonicContact OE2-CD2 3.56Å; E603-H621 PolarHBondContact OE2-CD2 3.44Å; E603-H621 IonicContact OE2-CG 3.17Å; C604-H621 PolarHBondContact SG-NE2 2.76Å; H617-H621 AromaticContact CE1-NE2 3.63Å; H617-H621 AromaticContact NE2-CD2 3.94Å; H617-H621 AromaticContact NE2-NE2 3.17Å; H617-H621 PolarHBondContact NE2-NE2 3.48Å; H617-H621 VanDerWaalsContact NE2-NE2 3.17Å; R618-H621 PolarHBondContact O-N 3.01Å; R618-H621 VanDerWaalsContact O-N 3.14Å; H621-G623 PolarHBondContact O-N 2.85Å
622T71.8Confident73.8Confident56 Ų5669.9 Ų69.934%0.34436%0.357SS..SBendtrans-76.8-7.3178.966.70000113.9R618 R619 E624R618-T622 PolarHBondContact O-N 3.28Å; R618-T622 VanDerWaalsContact O-N 3.1Å; R618-T622 PolarHBondContact O-OG1 3.37Å; R619-T622 WeakPolarHBondContact CA-OG1 3.45Å; T622-E624 PolarHBondContact O-N 3.1Å; T622-E624 WeakPolarHBondContact OG1-CG 3.24Å
623G74.3Confident74Confident42 Ų4268.1 Ų68.143%0.43335%0.351SS..  trans66.5-2.5-176.500000115.5R619 H621 K625R619-G623 PolarHBondContact O-N 3.02Å; H621-G623 PolarHBondContact O-N 2.85Å; G623-K625 PolarHBondContact O-N 2.81Å
624E69.9Low74Confident107 Ų10772.1 Ų72.150%0.536%0.361SS..  trans-58.3122-176-74.2177-166.400112.2R619 T622 P626R619-E624 HydrophobicContact CB-CB 4.48Å; R619-E624 HydrophobicContact CG-CB 4.32Å; T622-E624 PolarHBondContact O-N 3.1Å; T622-E624 WeakPolarHBondContact OG1-CG 3.24Å; E624-P626 WeakPolarHBondContact O-CD 3.11Å
625K73.8Confident73.8Confident111 Ų11172.7 Ų72.748%0.48337%0.368SS..  trans-121.677.5174-69174.4-179.4179.80110.2G623 Y627 T635 Y636G623-K625 PolarHBondContact O-N 2.81Å; K625-Y627 PolarHBondContact O-N 3.34Å; K625-Y627 VanDerWaalsContact O-N 3.09Å; K625-T635 WeakPolarHBondContact CD-OG1 3.11Å; K625-Y636 CarbonylContact C-O 3.36Å; K625-Y636 VanDerWaalsContact C-O 3.22Å; K625-Y636 VanDerWaalsContact CA-O 3.32Å; K625-Y636 WeakPolarHBondContact CA-O 3.39Å
626P66.2Low73.9Confident73 Ų7367.6 Ų67.647%0.47435%0.35SS..  trans-71.7-6.5-167.5-1933.6000115.4E624E624-P626 WeakPolarHBondContact O-CD 3.11Å
627Y71.7Confident73.9Confident73 Ų7369.5 Ų69.529%0.28635%0.353SS..EExtended strand (participates in β ladder)trans-115105.4-172.2-56.6-71.4000109.5K625 T635 Y636 L639K625-Y627 PolarHBondContact O-N 3.34Å; K625-Y627 VanDerWaalsContact O-N 3.09Å; Y627-T635 CarbonylContact O-C 3.3Å; Y627-T635 WeakPolarHBondContact O-CA 3.32Å; Y627-Y636 PolarHBondContact N-O 3.23Å; Y627-Y636 PolarHBondContact O-N 3.01Å; Y627-L639 HydrophobicContact CD1-CB 4.23Å; Y627-L639 HydrophobicContact CD1-CD1 3.8Å; Y627-L639 HydrophobicContact CD2-CB 4.46Å; Y627-L639 HydrophobicContact CE1-CB 3.92Å; Y627-L639 HydrophobicContact CE1-CD1 3.99Å; Y627-L639 HydrophobicContact CE1-CG 4.42Å; Y627-L639 HydrophobicContact CE2-CB 4.14Å; Y627-L639 HydrophobicContact CG-CB 4.48Å; Y627-L639 HydrophobicContact CG-CD1 4.45Å
628E65.9Low73.3Confident109 Ų10975.9 Ų75.951%0.50938%0.376SS..EExtended strand (participates in β ladder)trans-100.4142-179.1-172175.216300111.4T635 L642E628-T635 HydrophobicContact CB-CG2 4.02Å; E628-T635 HydrophobicContact CG-CG2 3.88Å; E628-L642 WeakPolarHBondContact O-CD2 3.25Å
629C74.5Confident72.9Confident1 Ų175.2 Ų75.21%0.00738%0.38CS..  trans-85.6111.2171.2-174.90000110.3Q631 C632 G633 K634 Y636 L642 H645C629-Q631 PolarHBondContact O-N 2.83Å; C629-C632 PolarHBondContact O-N 2.86Å; C629-C632 VanDerWaalsContact SG-SG 3.62Å; C629-G633 WeakPolarHBondContact O-CA 3.15Å; C629-G633 PolarHBondContact O-N 3.06Å; C629-K634 WeakPolarHBondContact CB-O 3.16Å; C629-K634 PolarHBondContact N-O 2.91Å; C629-Y636 HydrophobicContact CB-CE2 4.35Å; C629-L642 HydrophobicContact CB-CD1 3.58Å; C629-H645 PolarHBondContact SG-CD2 3.42Å; C629-H645 PolarHBondContact SG-NE2 2.77Å; C629-H645 VanDerWaalsContact SG-NE2 3.42Å
630N73.9Confident72.5Confident70 Ų7081.1 Ų81.137%0.37440%0.403SS..THydrogen-bonded Turntrans-61.4-16.2-179.4-59.3-16.1000114.3
631Q72.9Confident72.3Confident105 Ų10579.8 Ų79.849%0.49140%0.399SS..THydrogen-bonded Turntrans-92.9-21.5-178.9-73.5169.9-19.500113.8C629 H649C629-Q631 PolarHBondContact O-N 2.83Å; Q631-H649 PolarHBondContact OE1-CD2 3.3Å
632C78.6Confident72.3Confident51 Ų5177 Ų7735%0.34539%0.386SS..THydrogen-bonded Turntrans-142.25.9-176.371.10000114.5C629 K634 H645C629-C632 PolarHBondContact O-N 2.86Å; C629-C632 VanDerWaalsContact SG-SG 3.62Å; C632-K634 PolarHBondContact O-N 3.15Å; C632-H645 PolarHBondContact SG-NE2 3.15Å
633G72.2Confident72.3Confident41 Ų4176.8 Ų76.842%0.42339%0.385SS..  trans67.11.618000000115.1C629 T635C629-G633 WeakPolarHBondContact O-CA 3.15Å; C629-G633 PolarHBondContact O-N 3.06Å; G633-T635 PolarHBondContact O-N 2.82Å
634K75Confident72.3Confident123 Ų12376.1 Ų76.154%0.53537%0.37SS..  trans-69.6129.4-178.4-70.5-178.9-178.7177.70110.6C629 C632 Y636C629-K634 WeakPolarHBondContact CB-O 3.16Å; C629-K634 PolarHBondContact N-O 2.91Å; C632-K634 PolarHBondContact O-N 3.15Å; K634-Y636 HydrophobicContact CB-CE2 3.78Å; K634-Y636 WeakPolarHBondContact CB-OH 3.34Å; K634-Y636 WeakPolarHBondContact O-CD2 3.43Å; K634-Y636 VanDerWaalsContact O-CE2 3.26Å; K634-Y636 WeakPolarHBondContact O-CE2 3.48Å
635T72.6Confident72.7Confident57 Ų5771.8 Ų71.835%0.3535%0.35SS..EExtended strand (participates in β ladder)trans-102.6144-179.360.20000112.3K625 Y627 E628 G633K625-T635 WeakPolarHBondContact CD-OG1 3.11Å; Y627-T635 CarbonylContact O-C 3.3Å; Y627-T635 WeakPolarHBondContact O-CA 3.32Å; E628-T635 HydrophobicContact CB-CG2 4.02Å; E628-T635 HydrophobicContact CG-CG2 3.88Å; G633-T635 PolarHBondContact O-N 2.82Å
636Y75.6Confident72.7Confident47 Ų4769.6 Ų69.618%0.18434%0.341CS..EExtended strand (participates in β ladder)trans-131.7147.2-173.6-61.2-85.5000111.9K625 Y627 C629 K634 L642 H645K625-Y636 CarbonylContact C-O 3.36Å; K625-Y636 VanDerWaalsContact C-O 3.22Å; K625-Y636 VanDerWaalsContact CA-O 3.32Å; K625-Y636 WeakPolarHBondContact CA-O 3.39Å; Y627-Y636 PolarHBondContact N-O 3.23Å; Y627-Y636 PolarHBondContact O-N 3.01Å; C629-Y636 HydrophobicContact CB-CE2 4.35Å; K634-Y636 HydrophobicContact CB-CE2 3.78Å; K634-Y636 WeakPolarHBondContact CB-OH 3.34Å; K634-Y636 WeakPolarHBondContact O-CD2 3.43Å; K634-Y636 VanDerWaalsContact O-CE2 3.26Å; K634-Y636 WeakPolarHBondContact O-CE2 3.48Å; Y636-L642 HydrophobicContact CD2-CB 3.97Å; Y636-L642 HydrophobicContact CD2-CD1 3.84Å; Y636-L642 HydrophobicContact CE2-CD1 4.04Å; Y636-L642 HydrophobicContact CG-CB 4.34Å; Y636-H645 HydrophobicContact CE1-CB 4.19Å; Y636-H645 HydrophobicContact CE2-CB 3.97Å; Y636-H645 AromaticContact CE2-CD2 3.61Å; Y636-H645 AromaticContact CE2-CG 3.77Å; Y636-H645 AromaticContact CZ-CD2 3.74Å; Y636-H645 AromaticContact CZ-CG 3.45Å; Y636-H645 VanDerWaalsContact CZ-CG 3.45Å; Y636-H645 AromaticContact CZ-ND1 3.97Å; Y636-H645 PolarHBondContact OH-CD2 3.45Å; Y636-H645 VanDerWaalsContact OH-CD2 3.29Å; Y636-H645 PolarHBondContact OH-CE1 2.82Å; Y636-H645 PolarHBondContact OH-ND1 3.03Å
637R70.6Confident73.3Confident75 Ų7567.2 Ų67.228%0.28332%0.324SS..SBendtrans-77-25.7179.4-173176.2-71.8141.9-1.6113.3R619 I620R619-R637 VanDerWaalsContact C-NE 3.27Å; R619-R637 HydrophobicContact CB-CG 3.54Å; R619-R637 HydrophobicContact CG-CG 4.39Å; R619-R637 PolarHBondContact NH1-O 3.28Å; R619-R637 VanDerWaalsContact O-CZ 3.29Å; R619-R637 PolarHBondContact O-NE 3.01Å; R619-R637 PolarHBondContact O-NH2 3.37Å; R619-R637 VanDerWaalsContact O-NH2 3.13Å; I620-R637 VanDerWaalsContact CA-CZ 3.46Å
638R68.8Low73.5Confident147 Ų14767.8 Ų67.856%0.55533%0.331SS*.SBendtrans-126.1151.1-176.8-61.9-179.8-178-173.2-3.1110.4V616 T641V616-R638 HydrophobicContact CG1-CG 3.85Å; R638-T641 HydrophobicContact CB-CG2 4.36Å; R638-T641 PolarHBondContact O-OG1 3.47Å
639L67.4Low73.9Confident93 Ų9366.3 Ų66.349%0.48732%0.324SS..Hα-helixtrans-70.4-44.3179.6-179.560.9000111.5Y627 T641 L642 T643Y627-L639 HydrophobicContact CD1-CB 4.23Å; Y627-L639 HydrophobicContact CD1-CD1 3.8Å; Y627-L639 HydrophobicContact CD2-CB 4.46Å; Y627-L639 HydrophobicContact CE1-CB 3.92Å; Y627-L639 HydrophobicContact CE1-CD1 3.99Å; Y627-L639 HydrophobicContact CE1-CG 4.42Å; Y627-L639 HydrophobicContact CE2-CB 4.14Å; Y627-L639 HydrophobicContact CG-CB 4.48Å; Y627-L639 HydrophobicContact CG-CD1 4.45Å; L639-T641 PolarHBondContact O-N 2.97Å; L639-L642 WeakPolarHBondContact O-CA 3.44Å; L639-L642 WeakPolarHBondContact O-CB 3.5Å; L639-L642 PolarHBondContact O-N 3.33Å; L639-T643 PolarHBondContact O-N 3.08Å; L639-T643 PolarHBondContact O-OG1 3.44Å
640W71.9Confident73.7Confident166 Ų16670 Ų7063%0.62935%0.346SS*.Hα-helixtrans-56.9-36.6178176.7-95.4000113.1L642 T643 E644W640-L642 VanDerWaalsContact C-N 3.32Å; W640-L642 PolarHBondContact O-N 3.49Å; W640-T643 PolarHBondContact O-N 3.44Å; W640-E644 HydrophobicContact CD2-CG 4.43Å; W640-E644 HydrophobicContact CZ2-CG 4.06Å; W640-E644 WeakPolarHBondContact CZ2-OE1 3.29Å; W640-E644 PolarHBondContact O-N 2.95Å
641T74.8Confident73.5Confident56 Ų5668.6 Ų68.634%0.34435%0.349SS..Hα-helixtrans-68.8-31.5176.9470000112.6R638 L639 H645R638-T641 HydrophobicContact CB-CG2 4.36Å; R638-T641 PolarHBondContact O-OG1 3.47Å; L639-T641 PolarHBondContact O-N 2.97Å; T641-H645 VanDerWaalsContact O-CB 3.27Å; T641-H645 WeakPolarHBondContact O-CB 3.47Å; T641-H645 PolarHBondContact O-N 3.43Å
642L76.6Confident73.4Confident13 Ų1368.9 Ų68.97%0.06835%0.35CS..Hα-helixtrans-69.6-45.7170.4171.663.6000110.3E628 C629 Y636 L639 W640 E644 H645 Q646E628-L642 WeakPolarHBondContact O-CD2 3.25Å; C629-L642 HydrophobicContact CB-CD1 3.58Å; Y636-L642 HydrophobicContact CD2-CB 3.97Å; Y636-L642 HydrophobicContact CD2-CD1 3.84Å; Y636-L642 HydrophobicContact CE2-CD1 4.04Å; Y636-L642 HydrophobicContact CG-CB 4.34Å; L639-L642 WeakPolarHBondContact O-CA 3.44Å; L639-L642 WeakPolarHBondContact O-CB 3.5Å; L639-L642 PolarHBondContact O-N 3.33Å; W640-L642 VanDerWaalsContact C-N 3.32Å; W640-L642 PolarHBondContact O-N 3.49Å; L642-E644 VanDerWaalsContact C-N 3.33Å; L642-E644 PolarHBondContact O-N 2.94Å; L642-H645 CarbonylContact O-C 3.56Å; L642-H645 WeakPolarHBondContact O-CA 3.19Å; L642-H645 WeakPolarHBondContact O-CB 3.32Å; L642-H645 PolarHBondContact O-N 3.29Å; L642-H645 VanDerWaalsContact O-N 3.09Å; L642-Q646 HydrophobicContact CD1-CG 4.13Å; L642-Q646 HydrophobicContact CG-CG 4.41Å; L642-Q646 WeakPolarHBondContact O-CG 3.38Å; L642-Q646 PolarHBondContact O-N 2.85Å
643T71.7Confident73.2Confident52 Ų5271.7 Ų71.732%0.31936%0.357SS..Hα-helixtrans-59.7-41.8178-51.90000112.1L639 W640 Q646 K647L639-T643 PolarHBondContact O-N 3.08Å; L639-T643 PolarHBondContact O-OG1 3.44Å; W640-T643 PolarHBondContact O-N 3.44Å; T643-Q646 PolarHBondContact O-N 3.39Å; T643-K647 PolarHBondContact O-N 3.22Å
644E73.6Confident73.3Confident29 Ų2973.3 Ų73.314%0.13636%0.36CS..Hα-helixtrans-65.3-40.4172.8-77.8-63142.500112.1W640 L642 Q646 K647 H666W640-E644 HydrophobicContact CD2-CG 4.43Å; W640-E644 HydrophobicContact CZ2-CG 4.06Å; W640-E644 WeakPolarHBondContact CZ2-OE1 3.29Å; W640-E644 PolarHBondContact O-N 2.95Å; L642-E644 VanDerWaalsContact C-N 3.33Å; L642-E644 PolarHBondContact O-N 2.94Å; E644-Q646 VanDerWaalsContact C-N 3.32Å; E644-Q646 PolarHBondContact O-N 3.16Å; E644-K647 WeakPolarHBondContact O-CB 3.25Å; E644-K647 PolarHBondContact O-N 3.31Å; E644-K647 IonicContact OE1-NZ 2.71Å; E644-K647 PolarHBondContact OE1-NZ 2.71Å; E644-K647 IonicContact OE2-NZ 3.71Å; E644-H666 IonicContact OE2-CD2 3.89Å; E644-H666 PolarHBondContact OE2-CD2 3.24Å; E644-H666 IonicContact OE2-NE2 3.11Å
645H79Confident73.4Confident15 Ų1570.4 Ų70.47%0.06935%0.346CS..Hα-helixtrans-63.9-37.1175.6172.265.7000112.6C629 C632 Y636 T641 L642 K647 I648 H649C629-H645 PolarHBondContact SG-CD2 3.42Å; C629-H645 PolarHBondContact SG-NE2 2.77Å; C629-H645 VanDerWaalsContact SG-NE2 3.42Å; C632-H645 PolarHBondContact SG-NE2 3.15Å; Y636-H645 HydrophobicContact CE1-CB 4.19Å; Y636-H645 HydrophobicContact CE2-CB 3.97Å; Y636-H645 AromaticContact CE2-CD2 3.61Å; Y636-H645 AromaticContact CE2-CG 3.77Å; Y636-H645 AromaticContact CZ-CD2 3.74Å; Y636-H645 AromaticContact CZ-CG 3.45Å; Y636-H645 VanDerWaalsContact CZ-CG 3.45Å; Y636-H645 AromaticContact CZ-ND1 3.97Å; Y636-H645 PolarHBondContact OH-CD2 3.45Å; Y636-H645 VanDerWaalsContact OH-CD2 3.29Å; Y636-H645 PolarHBondContact OH-CE1 2.82Å; Y636-H645 PolarHBondContact OH-ND1 3.03Å; T641-H645 VanDerWaalsContact O-CB 3.27Å; T641-H645 WeakPolarHBondContact O-CB 3.47Å; T641-H645 PolarHBondContact O-N 3.43Å; L642-H645 CarbonylContact O-C 3.56Å; L642-H645 WeakPolarHBondContact O-CA 3.19Å; L642-H645 WeakPolarHBondContact O-CB 3.32Å; L642-H645 PolarHBondContact O-N 3.29Å; L642-H645 VanDerWaalsContact O-N 3.09Å; H645-K647 PolarHBondContact O-N 3.1Å; H645-I648 WeakPolarHBondContact O-CB 3.44Å; H645-I648 VanDerWaalsContact O-CG1 3.28Å; H645-I648 WeakPolarHBondContact O-CG1 3.41Å; H645-I648 PolarHBondContact O-N 3.36Å; H645-H649 AromaticContact CE1-NE2 3.6Å; H645-H649 AromaticContact NE2-CD2 3.8Å; H645-H649 AromaticContact NE2-NE2 3.11Å; H645-H649 PolarHBondContact NE2-NE2 2.97Å; H645-H649 VanDerWaalsContact NE2-NE2 3.11Å
646Q74.1Confident73.7Confident65 Ų6572.5 Ų72.530%0.30435%0.352SS..Hα-helixtrans-61.9-29.2177.5-75.3173.7-44.300112.5L642 T643 E644 I648 H649 T650L642-Q646 HydrophobicContact CD1-CG 4.13Å; L642-Q646 HydrophobicContact CG-CG 4.41Å; L642-Q646 WeakPolarHBondContact O-CG 3.38Å; L642-Q646 PolarHBondContact O-N 2.85Å; T643-Q646 PolarHBondContact O-N 3.39Å; E644-Q646 VanDerWaalsContact C-N 3.32Å; E644-Q646 PolarHBondContact O-N 3.16Å; Q646-I648 PolarHBondContact O-N 2.94Å; Q646-I648 VanDerWaalsContact O-N 3.14Å; Q646-H649 PolarHBondContact O-N 3.01Å; Q646-T650 PolarHBondContact O-N 3.48Å; Q646-T650 VanDerWaalsContact O-N 3.12Å
647K77.6Confident74.1Confident23 Ų2370.5 Ų70.510%0.134%0.344CS..Hα-helixtrans-64.1-15.8173.2-61.3174.8-177.21750113.9T643 E644 H645 T650 G651 R665T643-K647 PolarHBondContact O-N 3.22Å; E644-K647 WeakPolarHBondContact O-CB 3.25Å; E644-K647 PolarHBondContact O-N 3.31Å; E644-K647 IonicContact OE1-NZ 2.71Å; E644-K647 PolarHBondContact OE1-NZ 2.71Å; E644-K647 IonicContact OE2-NZ 3.71Å; H645-K647 PolarHBondContact O-N 3.1Å; K647-T650 WeakPolarHBondContact CA-OG1 3.22Å; K647-G651 PolarHBondContact O-N 2.99Å; K647-R665 HydrophobicContact CB-CG 4.03Å; K647-R665 PolarHBondContact O-NE 3.28Å
648I76.8Confident74.6Confident86 Ų8674.4 Ų74.444%0.44137%0.371SS..Hα-helixtrans-70.5-41173.7-55.5-177.7000110.1H645 Q646H645-I648 WeakPolarHBondContact O-CB 3.44Å; H645-I648 VanDerWaalsContact O-CG1 3.28Å; H645-I648 WeakPolarHBondContact O-CG1 3.41Å; H645-I648 PolarHBondContact O-N 3.36Å; Q646-I648 PolarHBondContact O-N 2.94Å; Q646-I648 VanDerWaalsContact O-N 3.14Å
649H74.3Confident75Confident78 Ų7874.3 Ų74.336%0.36138%0.375SS..Hα-helixtrans-81.1-35.4-178.2-60.2-58.9000112.8Q631 H645 Q646 G651Q631-H649 PolarHBondContact OE1-CD2 3.3Å; H645-H649 AromaticContact CE1-NE2 3.6Å; H645-H649 AromaticContact NE2-CD2 3.8Å; H645-H649 AromaticContact NE2-NE2 3.11Å; H645-H649 PolarHBondContact NE2-NE2 2.97Å; H645-H649 VanDerWaalsContact NE2-NE2 3.11Å; Q646-H649 PolarHBondContact O-N 3.01Å; H649-G651 VanDerWaalsContact C-N 3.29Å; H649-G651 PolarHBondContact O-N 3.27Å
650T68.8Low75.8Confident77 Ų7772.1 Ų72.147%0.47237%0.366SS..Hα-helixtrans-79.2-12.4177.362.60000113.3Q646 K647 E652Q646-T650 PolarHBondContact O-N 3.48Å; Q646-T650 VanDerWaalsContact O-N 3.12Å; K647-T650 WeakPolarHBondContact CA-OG1 3.22Å; T650-E652 PolarHBondContact O-N 3.17Å; T650-E652 VanDerWaalsContact O-N 3.11Å; T650-E652 WeakPolarHBondContact OG1-CG 3.11Å
651G70.3Confident75.9Confident42 Ų4271.6 Ų71.643%0.43337%0.371SS..  trans68.92-17700000114.6K647 H649 K653K647-G651 PolarHBondContact O-N 2.99Å; H649-G651 VanDerWaalsContact C-N 3.29Å; H649-G651 PolarHBondContact O-N 3.27Å; G651-K653 PolarHBondContact O-N 3.43Å
652E70.5Confident76.2Confident111 Ų11175 Ų7552%0.51938%0.381SS..  trans-58.8126.3-176.9-74.3176.8-168.300111.9T650T650-E652 PolarHBondContact O-N 3.17Å; T650-E652 VanDerWaalsContact O-N 3.11Å; T650-E652 WeakPolarHBondContact OG1-CG 3.11Å
653K76.1Confident76.3Confident110 Ų11077 Ų7748%0.47839%0.394SS..  trans-122.178.6173.8-66.3177.2179.5-179.70109.8G651 Y655 T663 F664G651-K653 PolarHBondContact O-N 3.43Å; K653-Y655 PolarHBondContact O-N 3.23Å; K653-Y655 VanDerWaalsContact O-N 3.11Å; K653-T663 WeakPolarHBondContact CD-OG1 3.42Å; K653-F664 CarbonylContact C-O 3.56Å; K653-F664 WeakPolarHBondContact CA-O 3.18Å
654P72.5Confident76.6Confident75 Ų7576.4 Ų76.449%0.48739%0.387SS..  trans-70.8-9.3-168.3-17.131.3000114.8
655Y77.2Confident76.6Confident61 Ų6178.7 Ų78.724%0.23939%0.394CS..EExtended strand (participates in β ladder)trans-111.1100.2-173.1-57.6-78.5000109.7K653 T663 F664 K667 F670K653-Y655 PolarHBondContact O-N 3.23Å; K653-Y655 VanDerWaalsContact O-N 3.11Å; Y655-T663 CarbonylContact O-C 3.52Å; Y655-T663 WeakPolarHBondContact O-CA 3.41Å; Y655-F664 PolarHBondContact N-O 3.29Å; Y655-F664 PolarHBondContact O-N 2.78Å; Y655-K667 HydrophobicContact CD1-CB 4.32Å; Y655-K667 HydrophobicContact CD1-CG 4.34Å; Y655-K667 HydrophobicContact CE1-CB 3.79Å; Y655-K667 HydrophobicContact CE1-CD 4.12Å; Y655-K667 HydrophobicContact CE1-CG 3.89Å; Y655-K667 HydrophobicContact CE2-CB 4.02Å; Y655-F670 HydrophobicContact CD1-CD1 4.5Å; Y655-F670 HydrophobicContact CG-CB 4.3Å
656E80.4Confident76.3Confident102 Ų10281.2 Ų81.248%0.47741%0.406SS..EExtended strand (participates in β ladder)trans-99.4136.5179.6-172.8175.8165.600111.3N658 T663 F670E656-N658 PolarHBondContact O-N 3.05Å; E656-T663 HydrophobicContact CB-CG2 4.04Å; E656-T663 HydrophobicContact CG-CG2 3.88Å; E656-F670 WeakPolarHBondContact O-CE2 3.47Å
657C83.8Confident76.5Confident4 Ų483.9 Ų83.93%0.02742%0.417CS..  trans-84.9108.4172.6-1720000111K659 C660 E661 K662 F664 F670 H673 H677C657-K659 PolarHBondContact O-N 3.49Å; C657-C660 PolarHBondContact O-N 2.92Å; C657-E661 VanDerWaalsContact O-CA 3.24Å; C657-E661 WeakPolarHBondContact O-CA 3.44Å; C657-E661 PolarHBondContact O-N 3.39Å; C657-K662 PolarHBondContact N-O 3.34Å; C657-F664 HydrophobicContact CB-CE2 4.44Å; C657-F670 HydrophobicContact CB-CE2 4.22Å; C657-H673 WeakPolarHBondContact CB-NE2 3.29Å; C657-H673 PolarHBondContact SG-NE2 3.3Å; C657-H673 VanDerWaalsContact SG-NE2 3.39Å; C657-H677 PolarHBondContact SG-NE2 3.45Å; C657-H677 VanDerWaalsContact SG-NE2 3.43Å
658N80.1Confident76.6Confident158 Ų15886 Ų8685%0.84543%0.434SS*.THydrogen-bonded Turntrans-60.7-10.1176.5-57.5-8.5000114.7E656E656-N658 PolarHBondContact O-N 3.05Å
659K76.6Confident76.8Confident145 Ų14585.6 Ų85.663%0.6343%0.433SS*.THydrogen-bonded Turntrans-94.8-28.5178.7-71.1-172172.4-163.40114C657 H677C657-K659 PolarHBondContact O-N 3.49Å; K659-H677 HydrophobicContact CD-CB 3.66Å; K659-H677 PolarHBondContact NZ-O 3.2Å
660C84.8Confident77.1Confident47 Ų4783.6 Ų83.632%0.31842%0.423SS..THydrogen-bonded Turntrans-14516.4-176.174.90000113.5C657 K662 H673 H677C657-C660 PolarHBondContact O-N 2.92Å; C660-K662 PolarHBondContact O-N 3.46Å; C660-H673 PolarHBondContact SG-CE1 3.47Å; C660-H673 PolarHBondContact SG-NE2 3.11Å; C660-H677 PolarHBondContact SG-NE2 3.05Å; C660-H677 VanDerWaalsContact SG-NE2 3.37Å
661E74.7Confident77.7Confident155 Ų15583.6 Ų83.672%0.72442%0.42SS*.  trans5512.8174.6-60.2175.3-175.600114.9C657 T663C657-E661 VanDerWaalsContact O-CA 3.24Å; C657-E661 WeakPolarHBondContact O-CA 3.44Å; C657-E661 PolarHBondContact O-N 3.39Å; E661-T663 PolarHBondContact O-N 2.79Å
662K81.5Confident78.2Confident126 Ų12687 Ų8755%0.54843%0.427SS..  trans-71125.8176.5-74.7-178.3-176.7175.70109.1C657 C660 F664C657-K662 PolarHBondContact N-O 3.34Å; C660-K662 PolarHBondContact O-N 3.46Å; K662-F664 HydrophobicContact CB-CE2 3.64Å; K662-F664 HydrophobicContact CB-CZ 3.86Å; K662-F664 WeakPolarHBondContact O-CD2 2.87Å; K662-F664 VanDerWaalsContact O-CE2 3.25Å; K662-F664 WeakPolarHBondContact O-CE2 3.13Å
663T78.2Confident78.8Confident56 Ų5682.9 Ų82.934%0.34441%0.408SS..EExtended strand (participates in β ladder)trans-99.8137.417856.30000110.9K653 Y655 E656 E661K653-T663 WeakPolarHBondContact CD-OG1 3.42Å; Y655-T663 CarbonylContact O-C 3.52Å; Y655-T663 WeakPolarHBondContact O-CA 3.41Å; E656-T663 HydrophobicContact CB-CG2 4.04Å; E656-T663 HydrophobicContact CG-CG2 3.88Å; E661-T663 PolarHBondContact O-N 2.79Å
664F78.4Confident79Confident40 Ų4081.4 Ų81.418%0.17540%0.403CS..EExtended strand (participates in β ladder)trans-123.5142.3-176-61.3-93.2000110.4K653 Y655 C657 K662 N669 F670 H673K653-F664 CarbonylContact C-O 3.56Å; K653-F664 WeakPolarHBondContact CA-O 3.18Å; Y655-F664 PolarHBondContact N-O 3.29Å; Y655-F664 PolarHBondContact O-N 2.78Å; C657-F664 HydrophobicContact CB-CE2 4.44Å; K662-F664 HydrophobicContact CB-CE2 3.64Å; K662-F664 HydrophobicContact CB-CZ 3.86Å; K662-F664 WeakPolarHBondContact O-CD2 2.87Å; K662-F664 VanDerWaalsContact O-CE2 3.25Å; K662-F664 WeakPolarHBondContact O-CE2 3.13Å; F664-N669 HydrophobicContact CD1-CB 4.01Å; F664-F670 HydrophobicContact CB-CB 4.01Å; F664-F670 HydrophobicContact CD2-CB 4.15Å; F664-F670 AromaticContact CD2-CD2 3.91Å; F664-F670 HydrophobicContact CD2-CD2 3.91Å; F664-F670 HydrophobicContact CE2-CD2 4.44Å; F664-F670 HydrophobicContact CG-CB 4.14Å; F664-H673 HydrophobicContact CE1-CB 3.82Å; F664-H673 HydrophobicContact CE2-CB 3.93Å; F664-H673 AromaticContact CE2-CD2 3.15Å; F664-H673 WeakPolarHBondContact CE2-CD2 3.48Å; F664-H673 AromaticContact CE2-CG 3.55Å; F664-H673 AromaticContact CE2-NE2 3.76Å; F664-H673 HydrophobicContact CZ-CB 3.4Å; F664-H673 AromaticContact CZ-CD2 3.26Å; F664-H673 WeakPolarHBondContact CZ-CD2 3.5Å; F664-H673 AromaticContact CZ-CG 3.12Å; F664-H673 AromaticContact CZ-ND1 3.68Å; F664-H673 AromaticContact CZ-NE2 3.82Å
665R73Confident79.4Confident76 Ų7684.4 Ų84.429%0.28741%0.409SS..SBendtrans-74.9-37.2174.9-171.9177-73.9156-4112.2K647K647-R665 HydrophobicContact CB-CG 4.03Å; K647-R665 PolarHBondContact O-NE 3.28Å
666H73.4Confident79.5Confident68 Ų6884.7 Ų84.732%0.31542%0.42SS..SBendtrans-113.5137.5-175.6-59.1168.5000112.2E644 S668 N669 F670E644-H666 IonicContact OE2-CD2 3.89Å; E644-H666 PolarHBondContact OE2-CD2 3.24Å; E644-H666 IonicContact OE2-NE2 3.11Å; H666-S668 VanDerWaalsContact C-N 3.28Å; H666-S668 PolarHBondContact O-N 3.45Å; H666-N669 PolarHBondContact O-N 3.1Å; H666-F670 PolarHBondContact O-N 2.9Å; H666-F670 VanDerWaalsContact O-N 3.09Å
667K77.8Confident79.4Confident122 Ų12282.1 Ų82.153%0.5341%0.407SS..Hα-helixtrans-59.4-35.6176.4-169.6172.9179.7175.30113Y655 N669 F670 L671Y655-K667 HydrophobicContact CD1-CB 4.32Å; Y655-K667 HydrophobicContact CD1-CG 4.34Å; Y655-K667 HydrophobicContact CE1-CB 3.79Å; Y655-K667 HydrophobicContact CE1-CD 4.12Å; Y655-K667 HydrophobicContact CE1-CG 3.89Å; Y655-K667 HydrophobicContact CE2-CB 4.02Å; K667-N669 VanDerWaalsContact C-N 3.34Å; K667-N669 PolarHBondContact O-N 2.8Å; K667-F670 PolarHBondContact O-N 3.24Å; K667-L671 HydrophobicContact CG-CD1 4.08Å; K667-L671 HydrophobicContact CG-CG 4.26Å; K667-L671 WeakPolarHBondContact O-CB 3.36Å; K667-L671 VanDerWaalsContact O-CG 3.26Å; K667-L671 WeakPolarHBondContact O-CG 3.5Å; K667-L671 PolarHBondContact O-N 2.94Å
668S78.9Confident78.5Confident66 Ų6690.1 Ų90.146%0.46244%0.442SS..Hα-helixtrans-60.7-44.3177.552.40000111.8H666 L671 L672H666-S668 VanDerWaalsContact C-N 3.28Å; H666-S668 PolarHBondContact O-N 3.45Å; S668-L671 PolarHBondContact O-N 3.07Å; S668-L672 WeakPolarHBondContact O-CG 3.28Å; S668-L672 PolarHBondContact O-N 3.03Å
669N80.8Confident77.1Confident79 Ų7993.4 Ų93.442%0.42245%0.452SS..Hα-helixtrans-71.7-38.1-179.2-61.63.6000110.6F664 H666 K667 L672 H673F664-N669 HydrophobicContact CD1-CB 4.01Å; H666-N669 PolarHBondContact O-N 3.1Å; K667-N669 VanDerWaalsContact C-N 3.34Å; K667-N669 PolarHBondContact O-N 2.8Å; N669-L672 PolarHBondContact O-N 3.31Å; N669-H673 VanDerWaalsContact O-CB 3.26Å; N669-H673 WeakPolarHBondContact O-CB 3.35Å; N669-H673 PolarHBondContact O-N 3.02Å
670F82.3Confident77.1Confident35 Ų3590.8 Ų90.815%0.15444%0.443CS..Hα-helixtrans-59.7-46.4170.6171.7-106.2000112.4Y655 E656 C657 F664 H666 K667 H673 Q674Y655-F670 HydrophobicContact CD1-CD1 4.5Å; Y655-F670 HydrophobicContact CG-CB 4.3Å; E656-F670 WeakPolarHBondContact O-CE2 3.47Å; C657-F670 HydrophobicContact CB-CE2 4.22Å; F664-F670 HydrophobicContact CB-CB 4.01Å; F664-F670 HydrophobicContact CD2-CB 4.15Å; F664-F670 AromaticContact CD2-CD2 3.91Å; F664-F670 HydrophobicContact CD2-CD2 3.91Å; F664-F670 HydrophobicContact CE2-CD2 4.44Å; F664-F670 HydrophobicContact CG-CB 4.14Å; H666-F670 PolarHBondContact O-N 2.9Å; H666-F670 VanDerWaalsContact O-N 3.09Å; K667-F670 PolarHBondContact O-N 3.24Å; F670-H673 CarbonylContact O-C 3.58Å; F670-H673 PolarHBondContact O-N 3.08Å; F670-Q674 WeakPolarHBondContact O-CB 3.3Å; F670-Q674 PolarHBondContact O-N 3.36Å
671L80.9Confident76.7Confident77 Ų7793.1 Ų93.140%0.40345%0.449SS..Hα-helixtrans-66.8-37.1178.9-72173.3000112.3K667 S668 Q674 K675K667-L671 HydrophobicContact CG-CD1 4.08Å; K667-L671 HydrophobicContact CG-CG 4.26Å; K667-L671 WeakPolarHBondContact O-CB 3.36Å; K667-L671 VanDerWaalsContact O-CG 3.26Å; K667-L671 WeakPolarHBondContact O-CG 3.5Å; K667-L671 PolarHBondContact O-N 2.94Å; S668-L671 PolarHBondContact O-N 3.07Å; L671-Q674 PolarHBondContact O-N 2.93Å; L671-K675 WeakPolarHBondContact O-CG 3.44Å; L671-K675 PolarHBondContact O-N 3.34Å; L671-K675 VanDerWaalsContact O-N 3.12Å
672L81.2Confident76.8Confident113 Ų11389.7 Ų89.759%0.59243%0.434SS*.Hα-helixtrans-64-44.3172.3-74.1170.1000111.2S668 N669 Q674 K675 S676S668-L672 WeakPolarHBondContact O-CG 3.28Å; S668-L672 PolarHBondContact O-N 3.03Å; N669-L672 PolarHBondContact O-N 3.31Å; L672-Q674 VanDerWaalsContact C-N 3.35Å; L672-Q674 PolarHBondContact O-N 3.36Å; L672-K675 WeakPolarHBondContact O-CB 3.35Å; L672-K675 PolarHBondContact O-N 3.37Å; L672-S676 PolarHBondContact O-N 3.5Å
673H82.8Confident76.5Confident25 Ų2587.5 Ų87.512%0.11643%0.428CS..Hα-helixtrans-65.5-36.1175172.567.2000113C657 C660 F664 N669 F670 K675 S676 H677C657-H673 WeakPolarHBondContact CB-NE2 3.29Å; C657-H673 PolarHBondContact SG-NE2 3.3Å; C657-H673 VanDerWaalsContact SG-NE2 3.39Å; C660-H673 PolarHBondContact SG-CE1 3.47Å; C660-H673 PolarHBondContact SG-NE2 3.11Å; F664-H673 HydrophobicContact CE1-CB 3.82Å; F664-H673 HydrophobicContact CE2-CB 3.93Å; F664-H673 AromaticContact CE2-CD2 3.15Å; F664-H673 WeakPolarHBondContact CE2-CD2 3.48Å; F664-H673 AromaticContact CE2-CG 3.55Å; F664-H673 AromaticContact CE2-NE2 3.76Å; F664-H673 HydrophobicContact CZ-CB 3.4Å; F664-H673 AromaticContact CZ-CD2 3.26Å; F664-H673 WeakPolarHBondContact CZ-CD2 3.5Å; F664-H673 AromaticContact CZ-CG 3.12Å; F664-H673 AromaticContact CZ-ND1 3.68Å; F664-H673 AromaticContact CZ-NE2 3.82Å; N669-H673 VanDerWaalsContact O-CB 3.26Å; N669-H673 WeakPolarHBondContact O-CB 3.35Å; N669-H673 PolarHBondContact O-N 3.02Å; F670-H673 CarbonylContact O-C 3.58Å; F670-H673 PolarHBondContact O-N 3.08Å; H673-K675 PolarHBondContact O-N 3.38Å; H673-S676 PolarHBondContact O-N 3.48Å; H673-S676 PolarHBondContact O-OG 3.22Å; H673-H677 AromaticContact CD2-NE2 3.84Å; H673-H677 AromaticContact CE1-CD2 3.85Å; H673-H677 AromaticContact CE1-CE1 3.96Å; H673-H677 AromaticContact CE1-NE2 3.09Å; H673-H677 PolarHBondContact CE1-NE2 3.47Å; H673-H677 AromaticContact ND1-NE2 3.97Å; H673-H677 AromaticContact NE2-CD2 3.68Å; H673-H677 AromaticContact NE2-NE2 2.99Å; H673-H677 PolarHBondContact NE2-NE2 3.14Å; H673-H677 PolarHBondContact O-CD2 3.05Å
674Q79.8Confident76.4Confident79 Ų7989.5 Ų89.537%0.36943%0.433SS..Hα-helixtrans-66.4-29.8175.2-168.1179.93.800111.7F670 L671 L672 H677F670-Q674 WeakPolarHBondContact O-CB 3.3Å; F670-Q674 PolarHBondContact O-N 3.36Å; L671-Q674 PolarHBondContact O-N 2.93Å; L672-Q674 VanDerWaalsContact C-N 3.35Å; L672-Q674 PolarHBondContact O-N 3.36Å; Q674-H677 PolarHBondContact O-N 3.05Å
675K81.9Confident76.3Confident139 Ų13992.8 Ų92.860%0.60445%0.45SS*.Hα-helixtrans-69.8-34.1173.5-72.8175.9178.6-1690112.4L671 L672 H673 H677 K678 E679L671-K675 WeakPolarHBondContact O-CG 3.44Å; L671-K675 PolarHBondContact O-N 3.34Å; L671-K675 VanDerWaalsContact O-N 3.12Å; L672-K675 WeakPolarHBondContact O-CB 3.35Å; L672-K675 PolarHBondContact O-N 3.37Å; H673-K675 PolarHBondContact O-N 3.38Å; K675-H677 PolarHBondContact O-N 3.2Å; K675-H677 VanDerWaalsContact O-N 3.11Å; K675-K678 PolarHBondContact O-N 3.37Å; K675-E679 PolarHBondContact O-N 3.12Å
676S79.1Confident76.5Confident67 Ų6794 Ų9447%0.46946%0.462SS..THydrogen-bonded Turntrans-70.5-1.617574.60000114.4L672 H673L672-S676 PolarHBondContact O-N 3.5Å; H673-S676 PolarHBondContact O-N 3.48Å; H673-S676 PolarHBondContact O-OG 3.22Å
677H77.6Confident76.7Confident48 Ų4896 Ų9622%0.22247%0.473CS..THydrogen-bonded Turntrans-105.25.8170.9-68.4-73.3000112.7C657 K659 C660 H673 Q674 K675C657-H677 PolarHBondContact SG-NE2 3.45Å; C657-H677 VanDerWaalsContact SG-NE2 3.43Å; K659-H677 HydrophobicContact CD-CB 3.66Å; K659-H677 PolarHBondContact NZ-O 3.2Å; C660-H677 PolarHBondContact SG-NE2 3.05Å; C660-H677 VanDerWaalsContact SG-NE2 3.37Å; H673-H677 AromaticContact CD2-NE2 3.84Å; H673-H677 AromaticContact CE1-CD2 3.85Å; H673-H677 AromaticContact CE1-CE1 3.96Å; H673-H677 AromaticContact CE1-NE2 3.09Å; H673-H677 PolarHBondContact CE1-NE2 3.47Å; H673-H677 AromaticContact ND1-NE2 3.97Å; H673-H677 AromaticContact NE2-CD2 3.68Å; H673-H677 AromaticContact NE2-NE2 2.99Å; H673-H677 PolarHBondContact NE2-NE2 3.14Å; H673-H677 PolarHBondContact O-CD2 3.05Å; Q674-H677 PolarHBondContact O-N 3.05Å; K675-H677 PolarHBondContact O-N 3.2Å; K675-H677 VanDerWaalsContact O-N 3.11Å
678K64.5Low76.7Confident171 Ų17193.8 Ų93.874%0.74347%0.468SS*.  trans-116.4-6.5177.8-74.8-168.8173.5-168.50112.5K675K675-K678 PolarHBondContact O-N 3.37Å
679E50.2Low76.5Confident227 Ų22796.4 Ų96.4100%1.06147%0.469SS*.  trans-96.70159.2-68.3172.5-178.900106.9K675K675-E679 PolarHBondContact O-N 3.12Å

Retrieved 679 of 679 residues in 111.3 ms (Link to these results)

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