A0A096LXQ9_POEFO Loading...

Cytokine-like nuclear factor N-PAC

AlphaFold DB , UniProt , Accession A0A096LXQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 507 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
1M38.5Very low72.5Confident244 Ų24498.5 Ų98.5100%1.20255%0.554SS**  0124.70-79.1-169-10800108.2A3M1-A3 PolarHBondContact O-N 3.31Å
2A36Very low74.4Confident95 Ų9590.3 Ų90.379%0.78551%0.508SS*.  trans-57.4129.1179.900000110.2V4A2-V4 PolarHBondContact O-N 3.39Å
3A46.5Very low75.8Confident103 Ų10383.5 Ų83.585%0.85147%0.47SS*.  trans-67102.4176.500000108.6M1 H5M1-A3 PolarHBondContact O-N 3.31Å; A3-H5 PolarHBondContact O-N 3.49Å; A3-H5 VanDerWaalsContact O-N 3.15Å
4V61.7Low77Confident93 Ų9377.6 Ų77.656%0.56444%0.437SS*.  trans-67.3115.3178.5-175.80000108.5A2 L6 P62A2-V4 PolarHBondContact O-N 3.39Å; V4-L6 HydrophobicContact CG1-CD2 4.26Å; V4-L6 PolarHBondContact O-N 3.43Å; V4-P62 HydrophobicContact CB-CG 4.35Å; V4-P62 HydrophobicContact CG1-CG 3.64Å; V4-P62 HydrophobicContact CG2-CG 4.44Å
5H77.8Confident77.8Confident158 Ų15879.4 Ų79.473%0.73144%0.438SS*.  trans-84.5102.9179.8-162.672.5000109.4A3A3-H5 PolarHBondContact O-N 3.49Å; A3-H5 VanDerWaalsContact O-N 3.15Å
6L87.1Confident78.2Confident16 Ų1679.1 Ų79.18%0.08444%0.435CS..  trans-84.6138.5178.5-64.1173.1000111V4 V12 I26 H42 L60 P62V4-L6 HydrophobicContact CG1-CD2 4.26Å; V4-L6 PolarHBondContact O-N 3.43Å; L6-V12 HydrophobicContact CD1-CG1 4.26Å; L6-V12 HydrophobicContact CD2-CG1 3.89Å; L6-I26 HydrophobicContact CB-CD1 3.77Å; L6-I26 HydrophobicContact CD1-CD1 4.46Å; L6-H42 PolarHBondContact O-CE1 2.81Å; L6-H42 VanDerWaalsContact O-CE1 3.31Å; L6-L60 HydrophobicContact CD1-CB 3.54Å; L6-L60 HydrophobicContact CD1-CD1 4Å; L6-L60 HydrophobicContact CD1-CG 4.39Å; L6-P62 HydrophobicContact CD2-CG 4.22Å
7R89.1Confident78.3Confident164 Ų16477.8 Ų77.862%0.61944%0.444SS*.  trans-127.8163.8-177-64.5178-66.5-179.41.1111.5G9 D10 I26R7-G9 PolarHBondContact O-N 3.49Å; R7-D10 PolarHBondContact N-OD2 3.2Å; R7-D10 WeakPolarHBondContact O-CB 3.34Å; R7-D10 PolarHBondContact O-N 3.24Å; R7-D10 VanDerWaalsContact O-N 3.13Å; R7-I26 WeakPolarHBondContact O-CB 3.39Å
8I88.1Confident78.4Confident109 Ų10987.4 Ų87.456%0.55947%0.472SS*.THydrogen-bonded Turntrans-59.2131.4170.6-60.4173.4000108.7I26I8-I26 HydrophobicContact CB-CG2 4.47Å; I8-I26 HydrophobicContact CG1-CG2 4.17Å
9G87.2Confident78.7Confident33 Ų3391.6 Ų91.634%0.3448%0.482SS..THydrogen-bonded Turntrans102.7-22.8-174.400000114.2R7 K25 I26R7-G9 PolarHBondContact O-N 3.49Å; G9-K25 WeakPolarHBondContact O-CE 3.37Å; G9-I26 PolarHBondContact N-O 3.41Å
10D91.9Very high79.1Confident47 Ų4789.6 Ų89.625%0.25147%0.474SS..  trans-69.4139.8-176.1-68.7-16.4000111.7R7 K25 I26R7-D10 PolarHBondContact N-OD2 3.2Å; R7-D10 WeakPolarHBondContact O-CB 3.34Å; R7-D10 PolarHBondContact O-N 3.24Å; R7-D10 VanDerWaalsContact O-N 3.13Å; D10-K25 WeakPolarHBondContact O-CA 3.48Å; D10-I26 HydrophobicContact CB-CD1 4.38Å; D10-I26 PolarHBondContact O-N 2.81Å
11L93.8Very high79.7Confident21 Ų2186.2 Ų86.211%0.1146%0.457CS..EExtended strand (participates in β ladder)trans-83131.7171.6-62.9173.6000109.9G24 K25 F47 Y63 V86 Y89 L90L11-G24 WeakPolarHBondContact CA-O 3.45Å; L11-K25 HydrophobicContact CD2-CB 4.11Å; L11-K25 HydrophobicContact CD2-CG 4.27Å; L11-F47 HydrophobicContact CD2-CE2 3.61Å; L11-F47 HydrophobicContact CD2-CZ 3.82Å; L11-Y63 HydrophobicContact CB-CG 4.18Å; L11-Y63 WeakPolarHBondContact O-CB 3.32Å; L11-Y63 PolarHBondContact O-N 2.93Å; L11-V86 HydrophobicContact CD1-CG1 3.78Å; L11-V86 HydrophobicContact CD2-CG1 4.36Å; L11-Y89 HydrophobicContact CD1-CD1 4.46Å; L11-Y89 HydrophobicContact CD2-CD1 4.3Å; L11-Y89 HydrophobicContact CD2-CE1 4.29Å; L11-L90 HydrophobicContact CD1-CD1 4.03Å; L11-L90 HydrophobicContact CD1-CD2 3.57Å; L11-L90 HydrophobicContact CD1-CG 3.79Å
12V95.1Very high82.3Confident0 Ų077 Ų770%041%0.409CS..EExtended strand (participates in β ladder)trans-140.8155.3-170.8-67.80000111.5L6 G24 I26 V44 L60 K61L6-V12 HydrophobicContact CD1-CG1 4.26Å; L6-V12 HydrophobicContact CD2-CG1 3.89Å; V12-G24 PolarHBondContact N-O 3.29Å; V12-G24 PolarHBondContact O-N 3.05Å; V12-I26 HydrophobicContact CG1-CD1 3.93Å; V12-I26 HydrophobicContact CG1-CG1 4.14Å; V12-I26 HydrophobicContact CG2-CG1 4.01Å; V12-V44 HydrophobicContact CG2-CG1 4.04Å; V12-V44 HydrophobicContact CG2-CG2 4.28Å; V12-L60 HydrophobicContact CB-CD2 4.08Å; V12-L60 HydrophobicContact CG2-CD2 3.83Å; V12-K61 CarbonylContact C-O 3.38Å; V12-K61 VanDerWaalsContact CA-O 3.29Å; V12-K61 WeakPolarHBondContact CA-O 3.21Å
13W93.1Very high85.1Confident2 Ų272.5 Ų72.51%0.00837%0.372CS..EExtended strand (participates in β ladder)trans-93.5114.8160.7-61.4100.9000108P21 P23 L60 K61 Y63 K67 M70 I71 F79 V83W13-P21 HydrophobicContact CB-CB 4.4Å; W13-P23 HydrophobicContact CE3-CB 4.07Å; W13-P23 HydrophobicContact CH2-CB 4.26Å; W13-P23 HydrophobicContact CZ3-CB 3.83Å; W13-P23 HydrophobicContact CZ3-CG 4.06Å; W13-L60 WeakPolarHBondContact O-CA 3.45Å; W13-K61 HydrophobicContact CB-CB 4.41Å; W13-K61 PolarHBondContact N-O 3.14Å; W13-K61 PolarHBondContact O-N 3.18Å; W13-Y63 HydrophobicContact CD2-CD2 4.08Å; W13-Y63 HydrophobicContact CD2-CE2 4.39Å; W13-Y63 AromaticContact CE2-CD2 3.43Å; W13-Y63 VanDerWaalsContact CE2-CD2 3.43Å; W13-Y63 AromaticContact CE2-CE2 3.63Å; W13-Y63 HydrophobicContact CH2-CD2 4.3Å; W13-Y63 AromaticContact CH2-CE2 3.66Å; W13-Y63 HydrophobicContact CH2-CE2 3.66Å; W13-Y63 AromaticContact CZ2-CD2 3.55Å; W13-Y63 HydrophobicContact CZ2-CD2 3.55Å; W13-Y63 AromaticContact CZ2-CE2 3.19Å; W13-Y63 HydrophobicContact CZ2-CE2 3.19Å; W13-Y63 HydrophobicContact CZ2-CG 4.49Å; W13-Y63 AromaticContact CZ2-CZ 3.91Å; W13-Y63 HydrophobicContact CZ3-CE2 4.4Å; W13-Y63 AromaticContact NE1-CD2 3.58Å; W13-Y63 PolarHBondContact NE1-O 3.31Å; W13-K67 HydrophobicContact CZ2-CB 4.47Å; W13-K67 HydrophobicContact CZ2-CG 4.46Å; W13-M70 HydrophobicContact CB-CG 4.32Å; W13-M70 HydrophobicContact CD2-CB 3.62Å; W13-M70 HydrophobicContact CD2-CG 3.62Å; W13-M70 HydrophobicContact CE3-CB 3.75Å; W13-M70 HydrophobicContact CE3-CG 4.12Å; W13-M70 HydrophobicContact CG-CB 4.24Å; W13-M70 HydrophobicContact CG-CG 3.68Å; W13-M70 HydrophobicContact CG-SD 4.46Å; W13-M70 HydrophobicContact CH2-CB 3.83Å; W13-M70 HydrophobicContact CZ2-CB 3.73Å; W13-M70 HydrophobicContact CZ2-CG 4.44Å; W13-M70 HydrophobicContact CZ3-CB 3.84Å; W13-I71 HydrophobicContact CH2-CG1 4.43Å; W13-F79 HydrophobicContact CH2-CZ 4.08Å; W13-F79 AromaticContact CZ3-CE2 3.79Å; W13-F79 HydrophobicContact CZ3-CE2 3.79Å; W13-F79 AromaticContact CZ3-CZ 3.61Å; W13-F79 HydrophobicContact CZ3-CZ 3.61Å; W13-V83 HydrophobicContact CH2-CG2 3.85Å; W13-V83 HydrophobicContact CZ3-CG2 4.33Å
14G91.9Very high87.5Confident1 Ų167.6 Ų67.61%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-101.4127.1177.400000111.6P21 W22G14-P21 WeakPolarHBondContact O-CA 3.44Å; G14-W22 PolarHBondContact N-O 3.47Å; G14-W22 PolarHBondContact O-N 3.17Å
15K89.1Confident89Confident105 Ų10565.7 Ų65.746%0.45732%0.315SS..  trans-104.1117.6173.3-172.1176.1-178.4174.30110.6P21 Q59K15-P21 HydrophobicContact CB-CG 4.32Å; K15-P21 HydrophobicContact CD-CG 4.33Å; K15-P21 HydrophobicContact CG-CG 4.38Å; K15-Q59 HydrophobicContact CB-CB 4.46Å; K15-Q59 PolarHBondContact N-O 3.29Å; K15-Q59 WeakPolarHBondContact O-CB 3.4Å
16L84.1Confident89.8Confident75 Ų7558.2 Ų58.239%0.39328%0.281SS..  trans-113115.5178.4-173.967.5000110.7R18 Y19 A53 I55L16-R18 PolarHBondContact O-N 3.37Å; L16-Y19 WeakPolarHBondContact O-CB 3.4Å; L16-Y19 WeakPolarHBondContact O-CD2 3.37Å; L16-Y19 PolarHBondContact O-N 3.36Å; L16-A53 HydrophobicContact CD2-CB 4.25Å; L16-I55 HydrophobicContact CB-CD1 4.1Å; L16-I55 HydrophobicContact CD1-CD1 3.74Å; L16-I55 HydrophobicContact CG-CD1 4.4Å
17G80.7Confident90.1Very high57 Ų5759.1 Ų59.159%0.58829%0.287SS*.THydrogen-bonded Turntrans55-124.317600000113.4
18R80.2Confident90Very high250 Ų25055.1 Ų55.194%0.94328%0.284SS*.THydrogen-bonded Turntrans-88.1-5.1178.7-63.3-173.3-175.3-98.11.3113.7L16L16-R18 PolarHBondContact O-N 3.37Å
19Y83.3Confident90Very high168 Ų16852.6 Ų52.666%0.65928%0.275SS*.SBendtrans-73.3146.8-179.5-61.8-73000111.3L16L16-Y19 WeakPolarHBondContact O-CB 3.4Å; L16-Y19 WeakPolarHBondContact O-CD2 3.37Å; L16-Y19 PolarHBondContact O-N 3.36Å
20P86.6Confident89.9Confident51 Ų5154.3 Ų54.333%0.33128%0.28SS..PPolyproline II helixtrans-61.4151.917326.7-33.5000110.3W22 N74P20-W22 PolarHBondContact O-N 3.17Å; P20-N74 WeakPolarHBondContact CG-ND2 3.21Å
21P91.4Very high89.2Confident18 Ų1862.2 Ų62.212%0.11731%0.312CS..PPolyproline II helixtrans-54.1128.6174.9-23.633.8000111W13 G14 K15 M70 F79W13-P21 HydrophobicContact CB-CB 4.4Å; G14-P21 WeakPolarHBondContact O-CA 3.44Å; K15-P21 HydrophobicContact CB-CG 4.32Å; K15-P21 HydrophobicContact CD-CG 4.33Å; K15-P21 HydrophobicContact CG-CG 4.38Å; P21-M70 HydrophobicContact CB-SD 3.6Å; P21-M70 VanDerWaalsContact CB-SD 3.6Å; P21-M70 HydrophobicContact CG-CE 4.47Å; P21-M70 HydrophobicContact CG-SD 3.7Å; P21-F79 WeakPolarHBondContact O-CE2 3.29Å
22W94.3Very high88.4Confident51 Ų5168.4 Ų68.419%0.19335%0.345CS..EExtended strand (participates in β ladder)trans-116.9143.5-176.9-158.5-87.1000110.6G14 P20 F46 F47 T49 R78 F79 A82G14-W22 PolarHBondContact N-O 3.47Å; G14-W22 PolarHBondContact O-N 3.17Å; P20-W22 PolarHBondContact O-N 3.17Å; W22-F46 HydrophobicContact CB-CD1 3.84Å; W22-F46 HydrophobicContact CB-CE1 4.1Å; W22-F46 AromaticContact CD1-CD1 3.83Å; W22-F46 HydrophobicContact CG-CD1 4.19Å; W22-F47 PolarHBondContact NE1-O 3.35Å; W22-T49 HydrophobicContact CZ2-CG2 4.38Å; W22-R78 HydrophobicContact CH2-CB 4.28Å; W22-F79 HydrophobicContact CD2-CD2 4.15Å; W22-F79 AromaticContact CE3-CD2 3.72Å; W22-F79 HydrophobicContact CE3-CD2 3.72Å; W22-F79 VanDerWaalsContact CH2-CA 3.47Å; W22-F79 HydrophobicContact CH2-CB 3.75Å; W22-F79 HydrophobicContact CH2-CD2 4.23Å; W22-F79 HydrophobicContact CZ2-CB 4.47Å; W22-F79 HydrophobicContact CZ3-CB 3.83Å; W22-F79 AromaticContact CZ3-CD2 3.77Å; W22-F79 HydrophobicContact CZ3-CD2 3.77Å; W22-F79 HydrophobicContact CZ3-CG 4.3Å; W22-A82 HydrophobicContact CZ2-CB 3.65Å
23P95.3Very high87.8Confident0 Ų072 Ų720%036%0.364CS..EExtended strand (participates in β ladder)trans-71.7136.2179.729.9-35.6000111.6W13 F47 Y63 A82 V83 V86W13-P23 HydrophobicContact CE3-CB 4.07Å; W13-P23 HydrophobicContact CH2-CB 4.26Å; W13-P23 HydrophobicContact CZ3-CB 3.83Å; W13-P23 HydrophobicContact CZ3-CG 4.06Å; P23-F47 PolarHBondContact O-N 3.07Å; P23-Y63 HydrophobicContact CB-CD2 4.23Å; P23-Y63 HydrophobicContact CB-CE2 3.79Å; P23-A82 HydrophobicContact CG-CB 3.83Å; P23-V83 HydrophobicContact CG-CG2 4.28Å; P23-V86 HydrophobicContact CB-CG2 3.81Å; P23-V86 HydrophobicContact CG-CG2 4.44Å
24G95Very high87.1Confident0 Ų081.1 Ų81.10%040%0.404CS..EExtended strand (participates in β ladder)trans-152.3173-175.900000113.1L11 V12 K45L11-G24 WeakPolarHBondContact CA-O 3.45Å; V12-G24 PolarHBondContact N-O 3.29Å; V12-G24 PolarHBondContact O-N 3.05Å; G24-K45 CarbonylContact C-O 3.54Å; G24-K45 WeakPolarHBondContact CA-O 3.41Å
25K94.8Very high86.6Confident53 Ų5386.6 Ų86.623%0.2343%0.428CS..EExtended strand (participates in β ladder)trans-123.4135.4174-173.7177.5175.6-172.20109.7G9 D10 L11 V27 V44 K45 F47 Y89G9-K25 WeakPolarHBondContact O-CE 3.37Å; D10-K25 WeakPolarHBondContact O-CA 3.48Å; L11-K25 HydrophobicContact CD2-CB 4.11Å; L11-K25 HydrophobicContact CD2-CG 4.27Å; K25-V27 HydrophobicContact CB-CG1 4.43Å; K25-V27 HydrophobicContact CD-CG1 4.39Å; K25-V27 HydrophobicContact CG-CG1 4.22Å; K25-V27 PolarHBondContact O-N 3.23Å; K25-V44 WeakPolarHBondContact O-CA 3.43Å; K25-K45 PolarHBondContact N-O 3.45Å; K25-K45 PolarHBondContact O-N 3.2Å; K25-F47 HydrophobicContact CB-CE2 3.85Å; K25-F47 HydrophobicContact CB-CZ 4.39Å; K25-Y89 PolarHBondContact NZ-OH 2.95Å
26I93.8Very high86.2Confident1 Ų184.6 Ų84.61%0.00543%0.425CS..EExtended strand (participates in β ladder)trans-71123.4170.7-59.7175.8000108.5L6 R7 I8 G9 D10 V12 H42 F43 V44L6-I26 HydrophobicContact CB-CD1 3.77Å; L6-I26 HydrophobicContact CD1-CD1 4.46Å; R7-I26 WeakPolarHBondContact O-CB 3.39Å; I8-I26 HydrophobicContact CB-CG2 4.47Å; I8-I26 HydrophobicContact CG1-CG2 4.17Å; G9-I26 PolarHBondContact N-O 3.41Å; D10-I26 HydrophobicContact CB-CD1 4.38Å; D10-I26 PolarHBondContact O-N 2.81Å; V12-I26 HydrophobicContact CG1-CD1 3.93Å; V12-I26 HydrophobicContact CG1-CG1 4.14Å; V12-I26 HydrophobicContact CG2-CG1 4.01Å; I26-H42 HydrophobicContact CD1-CB 4.06Å; I26-H42 HydrophobicContact CG1-CB 4.13Å; I26-H42 HydrophobicContact CG2-CB 3.88Å; I26-F43 WeakPolarHBondContact CA-O 3.4Å; I26-V44 HydrophobicContact CG1-CG2 4.28Å
27V92.6Very high85.6Confident35 Ų3592.8 Ų92.821%0.21245%0.451CS..  trans-127.8161.5-179.9-61.20000110.5K25 F43 K45K25-V27 HydrophobicContact CB-CG1 4.43Å; K25-V27 HydrophobicContact CD-CG1 4.39Å; K25-V27 HydrophobicContact CG-CG1 4.22Å; K25-V27 PolarHBondContact O-N 3.23Å; V27-F43 HydrophobicContact CG2-CD1 3.81Å; V27-F43 HydrophobicContact CG2-CE1 4.27Å; V27-F43 PolarHBondContact N-O 3.37Å; V27-K45 HydrophobicContact CG1-CB 4.21Å; V27-K45 HydrophobicContact CG2-CB 3.99Å
28S88.5Confident84.9Confident80 Ų8094.2 Ų94.256%0.55947%0.466SS*.PPolyproline II helixtrans-65.8135.9170.8-61.30000109.5
29P88.4Confident84.5Confident56 Ų5688.2 Ų88.236%0.36445%0.447SS..PPolyproline II helixtrans-66.8151.917531.7-37.4000110.9F43 W54P29-F43 HydrophobicContact CB-CB 4.16Å; P29-F43 HydrophobicContact CB-CD1 4.05Å; P29-F43 HydrophobicContact CB-CG 4.02Å; P29-W54 HydrophobicContact CB-CH2 3.89Å; P29-W54 HydrophobicContact CB-CZ2 3.59Å; P29-W54 HydrophobicContact CG-CH2 3.77Å; P29-W54 HydrophobicContact CG-CZ2 3.92Å
30P84.9Confident84.6Confident69 Ų6988.7 Ų88.745%0.44845%0.452SS..PPolyproline II helixtrans-56.3150.5166.9-23.233.5000111.6D32 L33 F43P30-D32 PolarHBondContact O-N 3.4Å; P30-L33 HydrophobicContact CB-CB 4.49Å; P30-L33 PolarHBondContact O-N 3.29Å; P30-L33 VanDerWaalsContact O-N 3.14Å; P30-F43 HydrophobicContact CG-CE1 4.46Å
31K76.7Confident84.7Confident214 Ų21486.7 Ų86.793%0.9344%0.439SS*.THydrogen-bonded Turntrans-56.8-26.1-174.3-69.9-175.7177.6-178.50113.2
32D77.6Confident84.7Confident150 Ų15087.9 Ų87.980%0.80244%0.443SS*.THydrogen-bonded Turntrans-95.7-8.3-170.4-24.7-47000112.1P30 K34P30-D32 PolarHBondContact O-N 3.4Å; D32-K34 PolarHBondContact O-N 3.43Å
33L80.8Confident84.7Confident77 Ų7786.1 Ų86.140%0.40344%0.437SS..  trans-92.9107.9-170.8-162.374.4000111.8P30 K35 F43P30-L33 HydrophobicContact CB-CB 4.49Å; P30-L33 PolarHBondContact O-N 3.29Å; P30-L33 VanDerWaalsContact O-N 3.14Å; L33-K35 PolarHBondContact O-N 3.13Å; L33-F43 HydrophobicContact CD2-CD2 3.83Å; L33-F43 HydrophobicContact CD2-CE1 4.47Å; L33-F43 HydrophobicContact CD2-CE2 3.17Å; L33-F43 HydrophobicContact CD2-CZ 3.53Å
34K79.4Confident84.6Confident192 Ų19286.1 Ų86.184%0.83544%0.437SS*.PPolyproline II helixtrans-67.7127.2179.4-70.5-179.7-179.3171.70111.8D32D32-K34 PolarHBondContact O-N 3.43Å
35K80.9Confident84.5Confident117 Ų11790.1 Ų90.151%0.50945%0.454SS..PPolyproline II helixtrans-67.6134.6173.1-173.6173.2-173.7171.80110.9L33 R37 C41 W54L33-K35 PolarHBondContact O-N 3.13Å; K35-R37 PolarHBondContact O-N 2.74Å; K35-C41 WeakPolarHBondContact CE-O 3.32Å; K35-C41 WeakPolarHBondContact CE-SG 3.36Å; K35-C41 PolarHBondContact NZ-O 3.37Å; K35-W54 HydrophobicContact CB-CH2 3.79Å; K35-W54 HydrophobicContact CB-CZ2 3.8Å; K35-W54 HydrophobicContact CB-CZ3 4.33Å; K35-W54 HydrophobicContact CD-CH2 3.93Å; K35-W54 HydrophobicContact CD-CZ3 3.87Å; K35-W54 HydrophobicContact CG-CD2 4.46Å; K35-W54 HydrophobicContact CG-CE3 4.09Å; K35-W54 HydrophobicContact CG-CH2 3.69Å; K35-W54 HydrophobicContact CG-CZ2 4.08Å; K35-W54 HydrophobicContact CG-CZ3 3.71Å
36P81.6Confident84.4Confident63 Ų6388.4 Ų88.441%0.40945%0.447SS..PPolyproline II helixtrans-56.2129.8173.8-25.834000112.3W54P36-W54 VanDerWaalsContact CD-CG 3.48Å; P36-W54 HydrophobicContact CG-CB 3.85Å; P36-W54 HydrophobicContact CG-CD2 4.48Å; P36-W54 HydrophobicContact CG-CG 3.88Å
37R71.4Confident84.3Confident246 Ų24689.9 Ų89.993%0.92845%0.453SS*.THydrogen-bonded Turntrans-69.1139.8-179.2-70.5-176.6179.6176.6-0.4111.4K35 K39K35-R37 PolarHBondContact O-N 2.74Å; R37-K39 PolarHBondContact O-N 3.19Å
38G65.1Low83.9Confident88 Ų8891.1 Ų91.191%0.90747%0.473SS*.THydrogen-bonded Turntrans830.4165.600000117.8
39K72.6Confident83.7Confident123 Ų12389.4 Ų89.454%0.53546%0.459SS..SBendtrans-128.7136.7178.9-61.5-175-174.9170.90112.3R37 C41 K56R37-K39 PolarHBondContact O-N 3.19Å; K39-C41 PolarHBondContact O-N 3.09Å; K39-C41 PolarHBondContact O-SG 3.13Å; K39-C41 VanDerWaalsContact O-SG 3.35Å; K39-K56 HydrophobicContact CD-CD 4.09Å
40K84.2Confident83.3Confident179 Ų17994.3 Ų94.378%0.77848%0.477SS*.  trans-66.4107169.1-71.2-174.7-179177.70108.4V57K40-V57 HydrophobicContact CB-CB 4.5Å; K40-V57 HydrophobicContact CB-CG2 3.88Å; K40-V57 WeakPolarHBondContact O-CG2 3.48Å; K40-V57 PolarHBondContact O-N 3.1Å
41C88.9Confident83.4Confident8 Ų895.7 Ų95.75%0.05448%0.481CS..EExtended strand (participates in β ladder)trans-137152.1179.6540000110.8K35 K39 W54 I55K35-C41 WeakPolarHBondContact CE-O 3.32Å; K35-C41 WeakPolarHBondContact CE-SG 3.36Å; K35-C41 PolarHBondContact NZ-O 3.37Å; K39-C41 PolarHBondContact O-N 3.09Å; K39-C41 PolarHBondContact O-SG 3.13Å; K39-C41 VanDerWaalsContact O-SG 3.35Å; C41-W54 HydrophobicContact CB-CE3 4.32Å; C41-I55 CarbonylContact C-O 3.57Å; C41-I55 WeakPolarHBondContact CA-O 3.43Å; C41-I55 VanDerWaalsContact CB-O 3.24Å; C41-I55 WeakPolarHBondContact CB-O 3.46Å
42H92.3Very high84Confident44 Ų4489.2 Ų89.220%0.20445%0.454CS..EExtended strand (participates in β ladder)trans-114.7148.3173-73.3-80.7000109.5L6 I26 V44 W54 I55 L60L6-H42 PolarHBondContact O-CE1 2.81Å; L6-H42 VanDerWaalsContact O-CE1 3.31Å; I26-H42 HydrophobicContact CD1-CB 4.06Å; I26-H42 HydrophobicContact CG1-CB 4.13Å; I26-H42 HydrophobicContact CG2-CB 3.88Å; H42-V44 HydrophobicContact CB-CG2 4.5Å; H42-W54 WeakPolarHBondContact O-CA 3.29Å; H42-I55 PolarHBondContact N-O 3.13Å; H42-I55 PolarHBondContact O-N 3.26Å; H42-L60 HydrophobicContact CB-CD1 3.93Å
43F93.1Very high84.7Confident14 Ų1482.9 Ų82.96%0.06142%0.423CS..EExtended strand (participates in β ladder)trans-87122.3171.7-167.4-113.2000108.5I26 V27 P29 P30 L33 H52 W54I26-F43 WeakPolarHBondContact CA-O 3.4Å; V27-F43 HydrophobicContact CG2-CD1 3.81Å; V27-F43 HydrophobicContact CG2-CE1 4.27Å; V27-F43 PolarHBondContact N-O 3.37Å; P29-F43 HydrophobicContact CB-CB 4.16Å; P29-F43 HydrophobicContact CB-CD1 4.05Å; P29-F43 HydrophobicContact CB-CG 4.02Å; P30-F43 HydrophobicContact CG-CE1 4.46Å; L33-F43 HydrophobicContact CD2-CD2 3.83Å; L33-F43 HydrophobicContact CD2-CE1 4.47Å; L33-F43 HydrophobicContact CD2-CE2 3.17Å; L33-F43 HydrophobicContact CD2-CZ 3.53Å; F43-H52 HydrophobicContact CE1-CB 3.81Å; F43-H52 HydrophobicContact CE2-CB 4.02Å; F43-H52 HydrophobicContact CZ-CB 3.36Å; F43-W54 HydrophobicContact CB-CD2 4.22Å; F43-W54 HydrophobicContact CB-CE3 3.99Å; F43-W54 HydrophobicContact CB-CH2 4.14Å; F43-W54 HydrophobicContact CB-CZ2 4.35Å; F43-W54 HydrophobicContact CB-CZ3 3.94Å; F43-W54 AromaticContact CD2-CD1 3.99Å; F43-W54 AromaticContact CD2-CD2 3.92Å; F43-W54 HydrophobicContact CD2-CD2 3.92Å; F43-W54 AromaticContact CD2-CE2 3.85Å; F43-W54 HydrophobicContact CD2-CG 4.04Å; F43-W54 HydrophobicContact CD2-CZ2 4.42Å; F43-W54 AromaticContact CD2-NE1 3.87Å
44V93.4Very high85.2Confident0 Ų081.8 Ų81.80%041%0.413CS..EExtended strand (participates in β ladder)trans-119.3127-171.7-178.50000109.2V12 K25 I26 H42 F46 H52 A53 I55 L60V12-V44 HydrophobicContact CG2-CG1 4.04Å; V12-V44 HydrophobicContact CG2-CG2 4.28Å; K25-V44 WeakPolarHBondContact O-CA 3.43Å; I26-V44 HydrophobicContact CG1-CG2 4.28Å; H42-V44 HydrophobicContact CB-CG2 4.5Å; V44-F46 HydrophobicContact CB-CZ 4.5Å; V44-F46 HydrophobicContact CG1-CD1 4.33Å; V44-F46 HydrophobicContact CG1-CE1 4.07Å; V44-F46 HydrophobicContact CG1-CZ 4.22Å; V44-H52 CarbonylContact O-C 3.43Å; V44-H52 WeakPolarHBondContact O-CA 3.25Å; V44-A53 PolarHBondContact N-O 2.85Å; V44-A53 PolarHBondContact O-N 2.95Å; V44-I55 HydrophobicContact CB-CG1 4.08Å; V44-I55 HydrophobicContact CG2-CB 4.15Å; V44-I55 HydrophobicContact CG2-CG1 3.92Å; V44-L60 HydrophobicContact CG2-CD2 3.94Å
45K93.2Very high85.8Confident84 Ų8472.6 Ų72.637%0.36537%0.373SS..EExtended strand (participates in β ladder)trans-90.8126166.2-179.4167.3-169.1157.90108.8G24 K25 V27 H52G24-K45 CarbonylContact C-O 3.54Å; G24-K45 WeakPolarHBondContact CA-O 3.41Å; K25-K45 PolarHBondContact N-O 3.45Å; K25-K45 PolarHBondContact O-N 3.2Å; V27-K45 HydrophobicContact CG1-CB 4.21Å; V27-K45 HydrophobicContact CG2-CB 3.99Å; K45-H52 VanDerWaalsContact CB-CD2 3.47Å; K45-H52 WeakPolarHBondContact CB-CD2 3.37Å; K45-H52 WeakPolarHBondContact CD-NE2 3.48Å; K45-H52 VanDerWaalsContact CE-NE2 3.29Å; K45-H52 WeakPolarHBondContact CE-NE2 3.35Å; K45-H52 VanDerWaalsContact CG-CD2 3.47Å; K45-H52 WeakPolarHBondContact CG-CD2 3.31Å; K45-H52 VanDerWaalsContact CG-NE2 3.32Å; K45-H52 WeakPolarHBondContact CG-NE2 3.43Å
46F93.9Very high86.3Confident16 Ų1669.9 Ų69.97%0.0736%0.361CS..EExtended strand (participates in β ladder)trans-86.1143.6-179.6-67.8-74.5000111.4W22 V44 T49 D51 A53 I55W22-F46 HydrophobicContact CB-CD1 3.84Å; W22-F46 HydrophobicContact CB-CE1 4.1Å; W22-F46 AromaticContact CD1-CD1 3.83Å; W22-F46 HydrophobicContact CG-CD1 4.19Å; V44-F46 HydrophobicContact CB-CZ 4.5Å; V44-F46 HydrophobicContact CG1-CD1 4.33Å; V44-F46 HydrophobicContact CG1-CE1 4.07Å; V44-F46 HydrophobicContact CG1-CZ 4.22Å; F46-T49 VanDerWaalsContact O-O 3.13Å; F46-D51 HydrophobicContact CD2-CB 4.19Å; F46-D51 PolarHBondContact N-O 2.88Å; F46-A53 HydrophobicContact CE2-CB 4.13Å; F46-I55 HydrophobicContact CZ-CD1 4.04Å; F46-I55 HydrophobicContact CZ-CG1 4.11Å
47F90.6Very high86.6Confident32 Ų3269.3 Ų69.314%0.1436%0.356CS..THydrogen-bonded Turntrans-80.6147176.7-80.2-97.4000110.7L11 W22 P23 K25 T49 A82 A85 V86 Y89L11-F47 HydrophobicContact CD2-CE2 3.61Å; L11-F47 HydrophobicContact CD2-CZ 3.82Å; W22-F47 PolarHBondContact NE1-O 3.35Å; P23-F47 PolarHBondContact O-N 3.07Å; K25-F47 HydrophobicContact CB-CE2 3.85Å; K25-F47 HydrophobicContact CB-CZ 4.39Å; F47-T49 PolarHBondContact O-N 2.89Å; F47-A82 HydrophobicContact CB-CB 4.48Å; F47-A82 WeakPolarHBondContact O-CB 3.46Å; F47-A85 HydrophobicContact CB-CB 4.48Å; F47-A85 HydrophobicContact CD1-CB 4.13Å; F47-V86 HydrophobicContact CB-CG2 3.85Å; F47-V86 HydrophobicContact CD1-CG2 3.86Å; F47-V86 HydrophobicContact CD2-CG2 3.43Å; F47-V86 VanDerWaalsContact CD2-CG2 3.43Å; F47-V86 HydrophobicContact CE1-CG2 4.23Å; F47-V86 HydrophobicContact CE2-CG2 3.82Å; F47-V86 HydrophobicContact CG-CG2 3.44Å; F47-V86 VanDerWaalsContact CG-CG2 3.44Å; F47-V86 HydrophobicContact CZ-CG2 4.21Å; F47-Y89 HydrophobicContact CE1-CD2 4.31Å; F47-Y89 AromaticContact CE1-CG 3.97Å; F47-Y89 HydrophobicContact CE1-CG 3.97Å; F47-Y89 HydrophobicContact CZ-CD1 4.16Å; F47-Y89 HydrophobicContact CZ-CD2 4.39Å; F47-Y89 AromaticContact CZ-CG 3.99Å; F47-Y89 HydrophobicContact CZ-CG 3.99Å
48G85.4Confident87.4Confident61 Ų6164.8 Ų64.863%0.62935%0.346SS*.THydrogen-bonded Turntrans71.83.4-178.600000114.5
49T82.4Confident88.6Confident44 Ų4463.5 Ų63.527%0.2732%0.316SS..SBendtrans-138.3165172.680.40000110.6W22 F46 F47 D51W22-T49 HydrophobicContact CZ2-CG2 4.38Å; F46-T49 VanDerWaalsContact O-O 3.13Å; F47-T49 PolarHBondContact O-N 2.89Å; T49-D51 WeakPolarHBondContact CB-OD2 3.38Å; T49-D51 VanDerWaalsContact OG1-CB 3.32Å; T49-D51 WeakPolarHBondContact OG1-CB 3.44Å; T49-D51 PolarHBondContact OG1-N 2.84Å; T49-D51 VanDerWaalsContact OG1-N 3.15Å; T49-D51 PolarHBondContact OG1-OD2 3.15Å
50E80.8Confident89.6Confident159 Ų15958.3 Ų58.374%0.74330%0.295SS*.SBendtrans-88.111.5170.4-72.4-77.8146.700111.3H52E50-H52 PolarHBondContact O-CE1 3.32Å; E50-H52 PolarHBondContact O-ND1 3.39Å
51D86.3Confident89.9Confident99 Ų9953.4 Ų53.453%0.52927%0.273SS..  trans-83.6143.5-172.7-55.8-52.3000112.6F46 T49F46-D51 HydrophobicContact CD2-CB 4.19Å; F46-D51 PolarHBondContact N-O 2.88Å; T49-D51 WeakPolarHBondContact CB-OD2 3.38Å; T49-D51 VanDerWaalsContact OG1-CB 3.32Å; T49-D51 WeakPolarHBondContact OG1-CB 3.44Å; T49-D51 PolarHBondContact OG1-N 2.84Å; T49-D51 VanDerWaalsContact OG1-N 3.15Å; T49-D51 PolarHBondContact OG1-OD2 3.15Å
52H90.8Very high90.1Very high77 Ų7754.4 Ų54.436%0.35628%0.279SS..EExtended strand (participates in β ladder)trans-140138.8176.9-47.371000109.9F43 V44 K45 E50F43-H52 HydrophobicContact CE1-CB 3.81Å; F43-H52 HydrophobicContact CE2-CB 4.02Å; F43-H52 HydrophobicContact CZ-CB 3.36Å; V44-H52 CarbonylContact O-C 3.43Å; V44-H52 WeakPolarHBondContact O-CA 3.25Å; K45-H52 VanDerWaalsContact CB-CD2 3.47Å; K45-H52 WeakPolarHBondContact CB-CD2 3.37Å; K45-H52 WeakPolarHBondContact CD-NE2 3.48Å; K45-H52 VanDerWaalsContact CE-NE2 3.29Å; K45-H52 WeakPolarHBondContact CE-NE2 3.35Å; K45-H52 VanDerWaalsContact CG-CD2 3.47Å; K45-H52 WeakPolarHBondContact CG-CD2 3.31Å; K45-H52 VanDerWaalsContact CG-NE2 3.32Å; K45-H52 WeakPolarHBondContact CG-NE2 3.43Å; E50-H52 PolarHBondContact O-CE1 3.32Å; E50-H52 PolarHBondContact O-ND1 3.39Å
53A91.5Very high90Very high18 Ų1852.3 Ų52.315%0.14927%0.27CS..EExtended strand (participates in β ladder)trans-149.8154.8-179.700000113.3L16 V44 F46 I55L16-A53 HydrophobicContact CD2-CB 4.25Å; V44-A53 PolarHBondContact N-O 2.85Å; V44-A53 PolarHBondContact O-N 2.95Å; F46-A53 HydrophobicContact CE2-CB 4.13Å; A53-I55 HydrophobicContact CB-CD1 3.84Å; A53-I55 HydrophobicContact CB-CG1 4.49Å; A53-I55 PolarHBondContact O-N 3.46Å
54W91.4Very high89.9Confident53 Ų5357.1 Ų57.120%0.20129%0.292CS..EExtended strand (participates in β ladder)trans-77.3108.8166.1-71.8102.9000110P29 K35 P36 C41 H42 F43P29-W54 HydrophobicContact CB-CH2 3.89Å; P29-W54 HydrophobicContact CB-CZ2 3.59Å; P29-W54 HydrophobicContact CG-CH2 3.77Å; P29-W54 HydrophobicContact CG-CZ2 3.92Å; K35-W54 HydrophobicContact CB-CH2 3.79Å; K35-W54 HydrophobicContact CB-CZ2 3.8Å; K35-W54 HydrophobicContact CB-CZ3 4.33Å; K35-W54 HydrophobicContact CD-CH2 3.93Å; K35-W54 HydrophobicContact CD-CZ3 3.87Å; K35-W54 HydrophobicContact CG-CD2 4.46Å; K35-W54 HydrophobicContact CG-CE3 4.09Å; K35-W54 HydrophobicContact CG-CH2 3.69Å; K35-W54 HydrophobicContact CG-CZ2 4.08Å; K35-W54 HydrophobicContact CG-CZ3 3.71Å; P36-W54 VanDerWaalsContact CD-CG 3.48Å; P36-W54 HydrophobicContact CG-CB 3.85Å; P36-W54 HydrophobicContact CG-CD2 4.48Å; P36-W54 HydrophobicContact CG-CG 3.88Å; C41-W54 HydrophobicContact CB-CE3 4.32Å; H42-W54 WeakPolarHBondContact O-CA 3.29Å; F43-W54 HydrophobicContact CB-CD2 4.22Å; F43-W54 HydrophobicContact CB-CE3 3.99Å; F43-W54 HydrophobicContact CB-CH2 4.14Å; F43-W54 HydrophobicContact CB-CZ2 4.35Å; F43-W54 HydrophobicContact CB-CZ3 3.94Å; F43-W54 AromaticContact CD2-CD1 3.99Å; F43-W54 AromaticContact CD2-CD2 3.92Å; F43-W54 HydrophobicContact CD2-CD2 3.92Å; F43-W54 AromaticContact CD2-CE2 3.85Å; F43-W54 HydrophobicContact CD2-CG 4.04Å; F43-W54 HydrophobicContact CD2-CZ2 4.42Å; F43-W54 AromaticContact CD2-NE1 3.87Å
55I91.4Very high89.7Confident0 Ų062 Ų620%032%0.324CS..EExtended strand (participates in β ladder)trans-106.7132.9179.5-50.3-58.8000109.5L16 C41 H42 V44 F46 A53 Q59 L60L16-I55 HydrophobicContact CB-CD1 4.1Å; L16-I55 HydrophobicContact CD1-CD1 3.74Å; L16-I55 HydrophobicContact CG-CD1 4.4Å; C41-I55 CarbonylContact C-O 3.57Å; C41-I55 WeakPolarHBondContact CA-O 3.43Å; C41-I55 VanDerWaalsContact CB-O 3.24Å; C41-I55 WeakPolarHBondContact CB-O 3.46Å; H42-I55 PolarHBondContact N-O 3.13Å; H42-I55 PolarHBondContact O-N 3.26Å; V44-I55 HydrophobicContact CB-CG1 4.08Å; V44-I55 HydrophobicContact CG2-CB 4.15Å; V44-I55 HydrophobicContact CG2-CG1 3.92Å; F46-I55 HydrophobicContact CZ-CD1 4.04Å; F46-I55 HydrophobicContact CZ-CG1 4.11Å; A53-I55 HydrophobicContact CB-CD1 3.84Å; A53-I55 HydrophobicContact CB-CG1 4.49Å; A53-I55 PolarHBondContact O-N 3.46Å; I55-Q59 HydrophobicContact CG2-CB 3.79Å; I55-L60 HydrophobicContact CB-CD1 4.44Å; I55-L60 HydrophobicContact CB-CD2 3.94Å; I55-L60 HydrophobicContact CB-CG 4.21Å; I55-L60 HydrophobicContact CG2-CD1 4.46Å; I55-L60 HydrophobicContact CG2-CD2 3.63Å; I55-L60 HydrophobicContact CG2-CG 3.76Å
56K91.1Very high89.4Confident59 Ų5960.2 Ų60.226%0.25732%0.317SS..EExtended strand (participates in β ladder)trans-67.3147176-58.6-178.4-1661730110.4K39 E58 Q59K39-K56 HydrophobicContact CD-CD 4.09Å; K56-E58 HydrophobicContact CB-CG 3.97Å; K56-E58 HydrophobicContact CD-CG 4.23Å; K56-E58 WeakPolarHBondContact CD-OE1 3.44Å; K56-E58 IonicContact NZ-OE1 2.72Å; K56-E58 PolarHBondContact NZ-OE1 2.97Å; K56-E58 PolarHBondContact O-N 3.42Å; K56-Q59 HydrophobicContact CB-CG 4.45Å; K56-Q59 WeakPolarHBondContact O-CA 3.47Å; K56-Q59 PolarHBondContact O-N 2.92Å
57V89.3Confident89.1Confident51 Ų5162.3 Ų62.331%0.30933%0.326SS..G310 helixtrans-56.2-36.2179.1175.20000112.2K40 Q59 L60K40-V57 HydrophobicContact CB-CB 4.5Å; K40-V57 HydrophobicContact CB-CG2 3.88Å; K40-V57 WeakPolarHBondContact O-CG2 3.48Å; K40-V57 PolarHBondContact O-N 3.1Å; V57-Q59 PolarHBondContact O-N 3.16Å; V57-L60 PolarHBondContact O-N 3.46Å; V57-L60 VanDerWaalsContact O-N 3.14Å
58E88.3Confident89Confident152 Ų15268 Ų6871%0.7135%0.353SS*.G310 helixtrans-64.4-17.9177.171.7-159.5-171.200114.2K56K56-E58 HydrophobicContact CB-CG 3.97Å; K56-E58 HydrophobicContact CD-CG 4.23Å; K56-E58 WeakPolarHBondContact CD-OE1 3.44Å; K56-E58 IonicContact NZ-OE1 2.72Å; K56-E58 PolarHBondContact NZ-OE1 2.97Å; K56-E58 PolarHBondContact O-N 3.42Å
59Q90.6Very high89.2Confident61 Ų6169.3 Ų69.329%0.28534%0.342SS..G310 helixtrans-1058.7-179.9-63.3174.8-48.400112.3K15 I55 K56 V57K15-Q59 HydrophobicContact CB-CB 4.46Å; K15-Q59 PolarHBondContact N-O 3.29Å; K15-Q59 WeakPolarHBondContact O-CB 3.4Å; I55-Q59 HydrophobicContact CG2-CB 3.79Å; K56-Q59 HydrophobicContact CB-CG 4.45Å; K56-Q59 WeakPolarHBondContact O-CA 3.47Å; K56-Q59 PolarHBondContact O-N 2.92Å; V57-Q59 PolarHBondContact O-N 3.16Å
60L91.9Very high89.4Confident14 Ų1467.5 Ų67.57%0.07333%0.331CS..EExtended strand (participates in β ladder)trans-110129.3176.9-66.6170.8000110.1L6 V12 W13 H42 V44 I55 V57L6-L60 HydrophobicContact CD1-CB 3.54Å; L6-L60 HydrophobicContact CD1-CD1 4Å; L6-L60 HydrophobicContact CD1-CG 4.39Å; V12-L60 HydrophobicContact CB-CD2 4.08Å; V12-L60 HydrophobicContact CG2-CD2 3.83Å; W13-L60 WeakPolarHBondContact O-CA 3.45Å; H42-L60 HydrophobicContact CB-CD1 3.93Å; V44-L60 HydrophobicContact CG2-CD2 3.94Å; I55-L60 HydrophobicContact CB-CD1 4.44Å; I55-L60 HydrophobicContact CB-CD2 3.94Å; I55-L60 HydrophobicContact CB-CG 4.21Å; I55-L60 HydrophobicContact CG2-CD1 4.46Å; I55-L60 HydrophobicContact CG2-CD2 3.63Å; I55-L60 HydrophobicContact CG2-CG 3.76Å; V57-L60 PolarHBondContact O-N 3.46Å; V57-L60 VanDerWaalsContact O-N 3.14Å
61K91.8Very high89.7Confident75 Ų7562.3 Ų62.333%0.32631%0.308SS..EExtended strand (participates in β ladder)trans-116.6140.7166.8-57.9-156.9-164.1175.40109.8V12 W13 H66 E69 M70V12-K61 CarbonylContact C-O 3.38Å; V12-K61 VanDerWaalsContact CA-O 3.29Å; V12-K61 WeakPolarHBondContact CA-O 3.21Å; W13-K61 HydrophobicContact CB-CB 4.41Å; W13-K61 PolarHBondContact N-O 3.14Å; W13-K61 PolarHBondContact O-N 3.18Å; K61-H66 HydrophobicContact CB-CB 4.44Å; K61-H66 HydrophobicContact CD-CB 4.47Å; K61-H66 VanDerWaalsContact CD-CD2 3.44Å; K61-H66 WeakPolarHBondContact CD-CD2 3.37Å; K61-E69 IonicContact NZ-OE1 3.45Å; K61-E69 PolarHBondContact NZ-OE1 3.37Å; K61-E69 IonicContact NZ-OE2 2.74Å; K61-M70 HydrophobicContact CD-CE 3.48Å; K61-M70 VanDerWaalsContact CD-CE 3.48Å; K61-M70 HydrophobicContact CG-CE 4.18Å
62P92.6Very high89.7Confident29 Ų2965.3 Ų65.319%0.18832%0.316CS..EExtended strand (participates in β ladder)trans-58.1140.9173.3-21.831.4000111.4V4 L6 P65 H66V4-P62 HydrophobicContact CB-CG 4.35Å; V4-P62 HydrophobicContact CG1-CG 3.64Å; V4-P62 HydrophobicContact CG2-CG 4.44Å; L6-P62 HydrophobicContact CD2-CG 4.22Å; P62-P65 HydrophobicContact CB-CG 4.17Å; P62-H66 PolarHBondContact O-ND1 3.19Å; P62-H66 VanDerWaalsContact O-ND1 3.11Å
63Y91Very high89.4Confident1 Ų166.1 Ų66.10%0.00432%0.322CS..THydrogen-bonded Turntrans-61-59.4-170.8-177-98.4000113.5L11 W13 P23 H66 K67 V86 E87 L90L11-Y63 HydrophobicContact CB-CG 4.18Å; L11-Y63 WeakPolarHBondContact O-CB 3.32Å; L11-Y63 PolarHBondContact O-N 2.93Å; W13-Y63 HydrophobicContact CD2-CD2 4.08Å; W13-Y63 HydrophobicContact CD2-CE2 4.39Å; W13-Y63 AromaticContact CE2-CD2 3.43Å; W13-Y63 VanDerWaalsContact CE2-CD2 3.43Å; W13-Y63 AromaticContact CE2-CE2 3.63Å; W13-Y63 HydrophobicContact CH2-CD2 4.3Å; W13-Y63 AromaticContact CH2-CE2 3.66Å; W13-Y63 HydrophobicContact CH2-CE2 3.66Å; W13-Y63 AromaticContact CZ2-CD2 3.55Å; W13-Y63 HydrophobicContact CZ2-CD2 3.55Å; W13-Y63 AromaticContact CZ2-CE2 3.19Å; W13-Y63 HydrophobicContact CZ2-CE2 3.19Å; W13-Y63 HydrophobicContact CZ2-CG 4.49Å; W13-Y63 AromaticContact CZ2-CZ 3.91Å; W13-Y63 HydrophobicContact CZ3-CE2 4.4Å; W13-Y63 AromaticContact NE1-CD2 3.58Å; W13-Y63 PolarHBondContact NE1-O 3.31Å; P23-Y63 HydrophobicContact CB-CD2 4.23Å; P23-Y63 HydrophobicContact CB-CE2 3.79Å; Y63-H66 PolarHBondContact O-N 2.73Å; Y63-K67 HydrophobicContact CE1-CD 4.19Å; Y63-K67 PolarHBondContact O-N 3.32Å; Y63-K67 VanDerWaalsContact O-N 3.11Å; Y63-V86 HydrophobicContact CD1-CG1 4Å; Y63-V86 HydrophobicContact CD2-CG1 4.32Å; Y63-V86 HydrophobicContact CE1-CB 4.38Å; Y63-V86 HydrophobicContact CE1-CG1 3.54Å; Y63-V86 HydrophobicContact CE2-CB 4.19Å; Y63-V86 HydrophobicContact CE2-CG1 3.88Å; Y63-V86 HydrophobicContact CE2-CG2 4.15Å; Y63-V86 HydrophobicContact CG-CG1 4.37Å; Y63-V86 VanDerWaalsContact CZ-CG1 3.47Å; Y63-E87 WeakPolarHBondContact CE1-OE1 3.41Å; Y63-E87 PolarHBondContact OH-OE1 3.31Å; Y63-L90 HydrophobicContact CE1-CD1 4.48Å
64H89.9Confident88.9Confident114 Ų11466.8 Ų66.853%0.52832%0.323SS..G310 helixtrans-61.6-48.5-171.8-60.883.5000114.4H66 K67 L90H64-H66 PolarHBondContact O-N 3.3Å; H64-H66 VanDerWaalsContact O-N 3.14Å; H64-K67 PolarHBondContact O-N 2.83Å; H64-L90 WeakPolarHBondContact NE2-CD1 3.45Å
65P88.8Confident88.2Confident102 Ų10273.3 Ų73.366%0.66235%0.353SS*.G310 helixtrans-65.4-20.5-176.7-20.934.2000114P62P62-P65 HydrophobicContact CB-CG 4.17Å
66H88.1Confident87.8Confident48 Ų4874.7 Ų74.722%0.22237%0.367CS..G310 helixtrans-1148.7-176.1-58.188.8000112.7K61 P62 Y63 H64 E68 E69 M70K61-H66 HydrophobicContact CB-CB 4.44Å; K61-H66 HydrophobicContact CD-CB 4.47Å; K61-H66 VanDerWaalsContact CD-CD2 3.44Å; K61-H66 WeakPolarHBondContact CD-CD2 3.37Å; P62-H66 PolarHBondContact O-ND1 3.19Å; P62-H66 VanDerWaalsContact O-ND1 3.11Å; Y63-H66 PolarHBondContact O-N 2.73Å; H64-H66 PolarHBondContact O-N 3.3Å; H64-H66 VanDerWaalsContact O-N 3.14Å; H66-E68 PolarHBondContact O-N 2.9Å; H66-E69 IonicContact CD2-OE2 3.94Å; H66-E69 PolarHBondContact CD2-OE2 3.39Å; H66-E69 PolarHBondContact O-N 3Å; H66-M70 HydrophobicContact CB-CE 4.35Å; H66-M70 HydrophobicContact CB-CG 4.11Å; H66-M70 WeakPolarHBondContact O-CB 3.29Å; H66-M70 WeakPolarHBondContact O-CG 3Å; H66-M70 PolarHBondContact O-N 3.49Å
67K87.5Confident87.6Confident59 Ų5980.1 Ų80.126%0.25739%0.391SS..Hα-helixtrans-58.2-50.6-173.4179.2178.8174.2-178.90112.4W13 Y63 H64 E69 M70 I71 E87W13-K67 HydrophobicContact CZ2-CB 4.47Å; W13-K67 HydrophobicContact CZ2-CG 4.46Å; Y63-K67 HydrophobicContact CE1-CD 4.19Å; Y63-K67 PolarHBondContact O-N 3.32Å; Y63-K67 VanDerWaalsContact O-N 3.11Å; H64-K67 PolarHBondContact O-N 2.83Å; K67-E69 PolarHBondContact O-N 2.92Å; K67-M70 PolarHBondContact O-N 2.97Å; K67-I71 HydrophobicContact CD-CD1 4.4Å; K67-I71 HydrophobicContact CG-CD1 3.63Å; K67-I71 HydrophobicContact CG-CG1 4.44Å; K67-I71 WeakPolarHBondContact O-CB 3.34Å; K67-I71 VanDerWaalsContact O-CG1 3.25Å; K67-I71 WeakPolarHBondContact O-CG1 3.19Å; K67-I71 PolarHBondContact O-N 3.03Å; K67-E87 VanDerWaalsContact CE-OE1 3.27Å; K67-E87 WeakPolarHBondContact CE-OE1 3.44Å; K67-E87 IonicContact NZ-OE1 2.9Å; K67-E87 PolarHBondContact NZ-OE1 3.12Å; K67-E87 IonicContact NZ-OE2 2.64Å; K67-E87 PolarHBondContact NZ-OE2 3.35Å; K67-E87 VanDerWaalsContact NZ-OE2 3.12Å
68E87.8Confident87.3Confident151 Ų15187.3 Ų87.371%0.70641%0.412SS*.Hα-helixtrans-67.3-36.6-178.4-63.9-177.3-175.200112.9H66 K72H66-E68 PolarHBondContact O-N 2.9Å; E68-K72 WeakPolarHBondContact O-CG 3.34Å; E68-K72 PolarHBondContact O-N 3.36Å
69E89.6Confident87.4Confident89 Ų8980.2 Ų80.242%0.41638%0.379SS..Hα-helixtrans-62.7-48.1174.2-176.7-166.5145.300110.2K61 H66 K67 K72 I73K61-E69 IonicContact NZ-OE1 3.45Å; K61-E69 PolarHBondContact NZ-OE1 3.37Å; K61-E69 IonicContact NZ-OE2 2.74Å; H66-E69 IonicContact CD2-OE2 3.94Å; H66-E69 PolarHBondContact CD2-OE2 3.39Å; H66-E69 PolarHBondContact O-N 3Å; K67-E69 PolarHBondContact O-N 2.92Å; E69-K72 PolarHBondContact O-N 2.96Å; E69-I73 WeakPolarHBondContact O-CG1 3.3Å
70M87.1Confident87.3Confident7 Ų780.9 Ų80.93%0.03438%0.382CS..Hα-helixtrans-73.9-33.9-173.5-65.6-67.2169.200113.1W13 P21 K61 H66 K67 K72 I73W13-M70 HydrophobicContact CB-CG 4.32Å; W13-M70 HydrophobicContact CD2-CB 3.62Å; W13-M70 HydrophobicContact CD2-CG 3.62Å; W13-M70 HydrophobicContact CE3-CB 3.75Å; W13-M70 HydrophobicContact CE3-CG 4.12Å; W13-M70 HydrophobicContact CG-CB 4.24Å; W13-M70 HydrophobicContact CG-CG 3.68Å; W13-M70 HydrophobicContact CG-SD 4.46Å; W13-M70 HydrophobicContact CH2-CB 3.83Å; W13-M70 HydrophobicContact CZ2-CB 3.73Å; W13-M70 HydrophobicContact CZ2-CG 4.44Å; W13-M70 HydrophobicContact CZ3-CB 3.84Å; P21-M70 HydrophobicContact CB-SD 3.6Å; P21-M70 VanDerWaalsContact CB-SD 3.6Å; P21-M70 HydrophobicContact CG-CE 4.47Å; P21-M70 HydrophobicContact CG-SD 3.7Å; K61-M70 HydrophobicContact CD-CE 3.48Å; K61-M70 VanDerWaalsContact CD-CE 3.48Å; K61-M70 HydrophobicContact CG-CE 4.18Å; H66-M70 HydrophobicContact CB-CE 4.35Å; H66-M70 HydrophobicContact CB-CG 4.11Å; H66-M70 WeakPolarHBondContact O-CB 3.29Å; H66-M70 WeakPolarHBondContact O-CG 3Å; H66-M70 PolarHBondContact O-N 3.49Å; K67-M70 PolarHBondContact O-N 2.97Å; M70-K72 VanDerWaalsContact C-N 3.27Å; M70-K72 PolarHBondContact O-N 3.25Å; M70-I73 PolarHBondContact O-N 3.4Å; M70-I73 HydrophobicContact SD-CD1 3.84Å
71I87.4Confident87.2Confident49 Ų4985.3 Ų85.325%0.25140%0.402SS..Hα-helixtrans-65.8-31.6174.5-69.3170000111.5W13 K67 I73 N74 V83W13-I71 HydrophobicContact CH2-CG1 4.43Å; K67-I71 HydrophobicContact CD-CD1 4.4Å; K67-I71 HydrophobicContact CG-CD1 3.63Å; K67-I71 HydrophobicContact CG-CG1 4.44Å; K67-I71 WeakPolarHBondContact O-CB 3.34Å; K67-I71 VanDerWaalsContact O-CG1 3.25Å; K67-I71 WeakPolarHBondContact O-CG1 3.19Å; K67-I71 PolarHBondContact O-N 3.03Å; I71-I73 VanDerWaalsContact C-N 3.26Å; I71-I73 PolarHBondContact O-N 3.44Å; I71-N74 VanDerWaalsContact O-O 3.1Å; I71-V83 HydrophobicContact CD1-CG1 3.93Å; I71-V83 HydrophobicContact CG1-CG1 4.3Å; I71-V83 HydrophobicContact CG1-CG2 4.4Å
72K87Confident87.1Confident162 Ų16281.7 Ų81.770%0.70439%0.387SS*.Hα-helixtrans-69.5-24.3176-71.9172.3-175.7176.50113.1E68 E69 M70E68-K72 WeakPolarHBondContact O-CG 3.34Å; E68-K72 PolarHBondContact O-N 3.36Å; E69-K72 PolarHBondContact O-N 2.96Å; M70-K72 VanDerWaalsContact C-N 3.27Å; M70-K72 PolarHBondContact O-N 3.25Å
73I83Confident87Confident94 Ų9480.4 Ų80.448%0.48238%0.378SS..Hα-helixtrans-77.2-28.3-176.1-66.1169.6000111.9E69 M70 I71E69-I73 WeakPolarHBondContact O-CG1 3.3Å; M70-I73 PolarHBondContact O-N 3.4Å; M70-I73 HydrophobicContact SD-CD1 3.84Å; I71-I73 VanDerWaalsContact C-N 3.26Å; I71-I73 PolarHBondContact O-N 3.44Å
74N80.6Confident87Confident32 Ų3283.8 Ų83.817%0.17140%0.396CS..  trans-140.3122.5-176.4-171.2-14.8000111.2P20 I71 G76 F79P20-N74 WeakPolarHBondContact CG-ND2 3.21Å; I71-N74 VanDerWaalsContact O-O 3.1Å; N74-G76 PolarHBondContact OD1-N 2.88Å; N74-F79 HydrophobicContact CB-CD1 3.77Å; N74-F79 HydrophobicContact CB-CD2 4.03Å; N74-F79 HydrophobicContact CB-CE1 3.86Å; N74-F79 HydrophobicContact CB-CE2 4.1Å; N74-F79 HydrophobicContact CB-CG 3.84Å; N74-F79 HydrophobicContact CB-CZ 4Å; N74-F79 WeakPolarHBondContact O-CD1 3.24Å; N74-F79 WeakPolarHBondContact O-CE1 3.43Å
75K77Confident87Confident191 Ų19180 Ų8083%0.8339%0.385SS*.  trans-10810.9179.9-63-176.1-179.7178.20113.6
76G84.1Confident87.1Confident28 Ų2875.1 Ų75.129%0.28935%0.353SS..  trans-65.6142.3-177.800000112.7N74 R78 F79 Q80N74-G76 PolarHBondContact OD1-N 2.88Å; G76-R78 VanDerWaalsContact C-N 3.33Å; G76-R78 PolarHBondContact O-N 2.9Å; G76-F79 WeakPolarHBondContact O-CA 3.47Å; G76-F79 WeakPolarHBondContact O-CB 3.28Å; G76-F79 PolarHBondContact O-N 3.4Å; G76-Q80 PolarHBondContact O-N 3.49Å
77K85.9Confident87.2Confident173 Ų17375 Ų7575%0.75235%0.353SS*.Hα-helixtrans-56.7-41.8-179.5-171.3177.2179.8179.80113.2F79 Q80 Q81K77-F79 VanDerWaalsContact C-N 3.32Å; K77-F79 PolarHBondContact O-N 3.21Å; K77-Q80 PolarHBondContact O-N 2.9Å; K77-Q81 WeakPolarHBondContact O-CG 3.48Å; K77-Q81 PolarHBondContact O-N 2.99Å
78R84.1Confident87.2Confident203 Ų20375.9 Ų75.977%0.76636%0.36SS*.Hα-helixtrans-65.5-34.7175.1-73.8-173.8177.2179.8-0.6112.7W22 G76 Q81 A82W22-R78 HydrophobicContact CH2-CB 4.28Å; G76-R78 VanDerWaalsContact C-N 3.33Å; G76-R78 PolarHBondContact O-N 2.9Å; R78-Q81 PolarHBondContact O-N 3.27Å; R78-A82 PolarHBondContact O-N 3.4Å
79F89.3Confident87.2Confident2 Ų272.9 Ų72.91%0.00934%0.343CS..Hα-helixtrans-69.2-43176.2176.1-96.3000110.8W13 P21 W22 N74 G76 K77 Q81 A82 V83W13-F79 HydrophobicContact CH2-CZ 4.08Å; W13-F79 AromaticContact CZ3-CE2 3.79Å; W13-F79 HydrophobicContact CZ3-CE2 3.79Å; W13-F79 AromaticContact CZ3-CZ 3.61Å; W13-F79 HydrophobicContact CZ3-CZ 3.61Å; P21-F79 WeakPolarHBondContact O-CE2 3.29Å; W22-F79 HydrophobicContact CD2-CD2 4.15Å; W22-F79 AromaticContact CE3-CD2 3.72Å; W22-F79 HydrophobicContact CE3-CD2 3.72Å; W22-F79 VanDerWaalsContact CH2-CA 3.47Å; W22-F79 HydrophobicContact CH2-CB 3.75Å; W22-F79 HydrophobicContact CH2-CD2 4.23Å; W22-F79 HydrophobicContact CZ2-CB 4.47Å; W22-F79 HydrophobicContact CZ3-CB 3.83Å; W22-F79 AromaticContact CZ3-CD2 3.77Å; W22-F79 HydrophobicContact CZ3-CD2 3.77Å; W22-F79 HydrophobicContact CZ3-CG 4.3Å; N74-F79 HydrophobicContact CB-CD1 3.77Å; N74-F79 HydrophobicContact CB-CD2 4.03Å; N74-F79 HydrophobicContact CB-CE1 3.86Å; N74-F79 HydrophobicContact CB-CE2 4.1Å; N74-F79 HydrophobicContact CB-CG 3.84Å; N74-F79 HydrophobicContact CB-CZ 4Å; N74-F79 WeakPolarHBondContact O-CD1 3.24Å; N74-F79 WeakPolarHBondContact O-CE1 3.43Å; G76-F79 WeakPolarHBondContact O-CA 3.47Å; G76-F79 WeakPolarHBondContact O-CB 3.28Å; G76-F79 PolarHBondContact O-N 3.4Å; K77-F79 VanDerWaalsContact C-N 3.32Å; K77-F79 PolarHBondContact O-N 3.21Å; F79-Q81 VanDerWaalsContact C-N 3.33Å; F79-Q81 PolarHBondContact O-N 2.96Å; F79-A82 WeakPolarHBondContact O-CB 3.15Å; F79-A82 PolarHBondContact O-N 3.37Å; F79-A82 VanDerWaalsContact O-N 3.14Å; F79-V83 HydrophobicContact CD1-CG2 4.25Å; F79-V83 HydrophobicContact CE1-CG2 3.86Å; F79-V83 HydrophobicContact CE2-CG2 4.49Å; F79-V83 HydrophobicContact CZ-CG2 4.02Å; F79-V83 WeakPolarHBondContact O-CG2 3.46Å; F79-V83 PolarHBondContact O-N 2.79Å
80Q89.1Confident87.1Confident75 Ų7570.4 Ų70.435%0.3533%0.332SS..Hα-helixtrans-60-44174-170.159.25300111.4G76 K77 A82 V83 D84G76-Q80 PolarHBondContact O-N 3.49Å; K77-Q80 PolarHBondContact O-N 2.9Å; Q80-A82 VanDerWaalsContact C-N 3.3Å; Q80-A82 PolarHBondContact O-N 2.98Å; Q80-V83 WeakPolarHBondContact O-CB 3.18Å; Q80-V83 PolarHBondContact O-N 3.26Å; Q80-V83 VanDerWaalsContact O-N 3.15Å; Q80-D84 PolarHBondContact NE2-OD1 3.09Å; Q80-D84 WeakPolarHBondContact O-CB 3.32Å; Q80-D84 PolarHBondContact O-N 3.08Å
81Q89.7Confident87Confident107 Ų10776.5 Ų76.550%0.536%0.359SS..Hα-helixtrans-59.1-39.3174.2-72.4171.3-26.700112.9K77 R78 F79 D84 A85K77-Q81 WeakPolarHBondContact O-CG 3.48Å; K77-Q81 PolarHBondContact O-N 2.99Å; R78-Q81 PolarHBondContact O-N 3.27Å; F79-Q81 VanDerWaalsContact C-N 3.33Å; F79-Q81 PolarHBondContact O-N 2.96Å; Q81-D84 PolarHBondContact O-N 2.98Å; Q81-A85 WeakPolarHBondContact O-CB 3.34Å; Q81-A85 PolarHBondContact O-N 2.91Å
82A90.3Very high86.8Confident0 Ų081.8 Ų81.80%038%0.38CS..Hα-helixtrans-67-39.1175.800000112.4W22 P23 F47 R78 F79 Q80 A85 V86W22-A82 HydrophobicContact CZ2-CB 3.65Å; P23-A82 HydrophobicContact CG-CB 3.83Å; F47-A82 HydrophobicContact CB-CB 4.48Å; F47-A82 WeakPolarHBondContact O-CB 3.46Å; R78-A82 PolarHBondContact O-N 3.4Å; F79-A82 WeakPolarHBondContact O-CB 3.15Å; F79-A82 PolarHBondContact O-N 3.37Å; F79-A82 VanDerWaalsContact O-N 3.14Å; Q80-A82 VanDerWaalsContact C-N 3.3Å; Q80-A82 PolarHBondContact O-N 2.98Å; A82-A85 PolarHBondContact O-N 3.31Å; A82-V86 PolarHBondContact O-N 3.12Å
83V90.2Very high86.3Confident2 Ų276.1 Ų76.11%0.01236%0.363CS..Hα-helixtrans-64.1-47.1173.6171.50000110.4W13 P23 I71 F79 Q80 A85 V86 E87W13-V83 HydrophobicContact CH2-CG2 3.85Å; W13-V83 HydrophobicContact CZ3-CG2 4.33Å; P23-V83 HydrophobicContact CG-CG2 4.28Å; I71-V83 HydrophobicContact CD1-CG1 3.93Å; I71-V83 HydrophobicContact CG1-CG1 4.3Å; I71-V83 HydrophobicContact CG1-CG2 4.4Å; F79-V83 HydrophobicContact CD1-CG2 4.25Å; F79-V83 HydrophobicContact CE1-CG2 3.86Å; F79-V83 HydrophobicContact CE2-CG2 4.49Å; F79-V83 HydrophobicContact CZ-CG2 4.02Å; F79-V83 WeakPolarHBondContact O-CG2 3.46Å; F79-V83 PolarHBondContact O-N 2.79Å; Q80-V83 WeakPolarHBondContact O-CB 3.18Å; Q80-V83 PolarHBondContact O-N 3.26Å; Q80-V83 VanDerWaalsContact O-N 3.15Å; V83-A85 VanDerWaalsContact C-N 3.28Å; V83-A85 PolarHBondContact O-N 3.2Å; V83-V86 WeakPolarHBondContact O-CB 3.47Å; V83-V86 PolarHBondContact O-N 3.48Å; V83-V86 VanDerWaalsContact O-N 3.08Å; V83-E87 PolarHBondContact O-N 3.46Å; V83-E87 VanDerWaalsContact O-N 3.12Å
84D89.8Confident85.7Confident71 Ų7178.6 Ų78.638%0.3837%0.37SS..Hα-helixtrans-61.3-38.4178-62-20000111.2Q80 Q81 V86 E87 D88Q80-D84 PolarHBondContact NE2-OD1 3.09Å; Q80-D84 WeakPolarHBondContact O-CB 3.32Å; Q80-D84 PolarHBondContact O-N 3.08Å; Q81-D84 PolarHBondContact O-N 2.98Å; D84-V86 VanDerWaalsContact C-N 3.31Å; D84-V86 PolarHBondContact O-N 2.92Å; D84-E87 WeakPolarHBondContact O-CB 3.4Å; D84-E87 PolarHBondContact O-N 3.34Å; D84-E87 VanDerWaalsContact O-N 3.12Å; D84-D88 PolarHBondContact O-N 3.25Å
85A90.2Very high84.5Confident34 Ų3478.8 Ų78.828%0.28138%0.38SS..Hα-helixtrans-63.1-33.5174.900000113.2F47 Q81 A82 V83 Y89F47-A85 HydrophobicContact CB-CB 4.48Å; F47-A85 HydrophobicContact CD1-CB 4.13Å; Q81-A85 WeakPolarHBondContact O-CB 3.34Å; Q81-A85 PolarHBondContact O-N 2.91Å; A82-A85 PolarHBondContact O-N 3.31Å; V83-A85 VanDerWaalsContact C-N 3.28Å; V83-A85 PolarHBondContact O-N 3.2Å; A85-Y89 VanDerWaalsContact O-CB 3.29Å; A85-Y89 WeakPolarHBondContact O-CB 3.24Å; A85-Y89 PolarHBondContact O-N 3.18Å
86V90.8Very high83.4Confident0 Ų077.8 Ų77.80%038%0.376CS..Hα-helixtrans-67.6-42.9171.6177.40000110.9L11 P23 F47 Y63 A82 V83 D84 D88 Y89 L90L11-V86 HydrophobicContact CD1-CG1 3.78Å; L11-V86 HydrophobicContact CD2-CG1 4.36Å; P23-V86 HydrophobicContact CB-CG2 3.81Å; P23-V86 HydrophobicContact CG-CG2 4.44Å; F47-V86 HydrophobicContact CB-CG2 3.85Å; F47-V86 HydrophobicContact CD1-CG2 3.86Å; F47-V86 HydrophobicContact CD2-CG2 3.43Å; F47-V86 VanDerWaalsContact CD2-CG2 3.43Å; F47-V86 HydrophobicContact CE1-CG2 4.23Å; F47-V86 HydrophobicContact CE2-CG2 3.82Å; F47-V86 HydrophobicContact CG-CG2 3.44Å; F47-V86 VanDerWaalsContact CG-CG2 3.44Å; F47-V86 HydrophobicContact CZ-CG2 4.21Å; Y63-V86 HydrophobicContact CD1-CG1 4Å; Y63-V86 HydrophobicContact CD2-CG1 4.32Å; Y63-V86 HydrophobicContact CE1-CB 4.38Å; Y63-V86 HydrophobicContact CE1-CG1 3.54Å; Y63-V86 HydrophobicContact CE2-CB 4.19Å; Y63-V86 HydrophobicContact CE2-CG1 3.88Å; Y63-V86 HydrophobicContact CE2-CG2 4.15Å; Y63-V86 HydrophobicContact CG-CG1 4.37Å; Y63-V86 VanDerWaalsContact CZ-CG1 3.47Å; A82-V86 PolarHBondContact O-N 3.12Å; V83-V86 WeakPolarHBondContact O-CB 3.47Å; V83-V86 PolarHBondContact O-N 3.48Å; V83-V86 VanDerWaalsContact O-N 3.08Å; D84-V86 VanDerWaalsContact C-N 3.31Å; D84-V86 PolarHBondContact O-N 2.92Å; V86-D88 VanDerWaalsContact C-N 3.34Å; V86-D88 PolarHBondContact O-N 2.64Å; V86-Y89 WeakPolarHBondContact O-CB 3.27Å; V86-Y89 PolarHBondContact O-N 3.15Å; V86-L90 HydrophobicContact CG1-CD1 4.12Å; V86-L90 HydrophobicContact CG1-CG 4.48Å; V86-L90 WeakPolarHBondContact O-CG 3.49Å; V86-L90 PolarHBondContact O-N 2.96Å
87E89.9Confident81.9Confident47 Ų4782.9 Ų82.922%0.2239%0.392CS..Hα-helixtrans-64.2-40.6178.9-63.5-60.3137.100111.7Y63 K67 V83 D84 L90 K91Y63-E87 WeakPolarHBondContact CE1-OE1 3.41Å; Y63-E87 PolarHBondContact OH-OE1 3.31Å; K67-E87 VanDerWaalsContact CE-OE1 3.27Å; K67-E87 WeakPolarHBondContact CE-OE1 3.44Å; K67-E87 IonicContact NZ-OE1 2.9Å; K67-E87 PolarHBondContact NZ-OE1 3.12Å; K67-E87 IonicContact NZ-OE2 2.64Å; K67-E87 PolarHBondContact NZ-OE2 3.35Å; K67-E87 VanDerWaalsContact NZ-OE2 3.12Å; V83-E87 PolarHBondContact O-N 3.46Å; V83-E87 VanDerWaalsContact O-N 3.12Å; D84-E87 WeakPolarHBondContact O-CB 3.4Å; D84-E87 PolarHBondContact O-N 3.34Å; D84-E87 VanDerWaalsContact O-N 3.12Å; E87-L90 WeakPolarHBondContact O-CB 3.49Å; E87-L90 PolarHBondContact O-N 3.06Å; E87-K91 WeakPolarHBondContact O-CG 3.49Å; E87-K91 PolarHBondContact O-N 3.23Å
88D87.7Confident80Confident77 Ų7782 Ų8241%0.41239%0.39SS..Hα-helixtrans-68.9-36175.4-74.3-12.7000112.2D84 V86 L90 K91 K92D84-D88 PolarHBondContact O-N 3.25Å; V86-D88 VanDerWaalsContact C-N 3.34Å; V86-D88 PolarHBondContact O-N 2.64Å; D88-L90 VanDerWaalsContact C-N 3.33Å; D88-K91 PolarHBondContact O-N 3.17Å; D88-K91 IonicContact OD1-NZ 3.21Å; D88-K91 PolarHBondContact OD1-NZ 3.09Å; D88-K92 WeakPolarHBondContact O-CB 3.4Å; D88-K92 WeakPolarHBondContact O-CG 3.27Å; D88-K92 PolarHBondContact O-N 2.99Å
89Y87.6Confident78Confident88 Ų8879.6 Ų79.635%0.34539%0.393SS..Hα-helixtrans-60.8-42.8170.4174.6-90.7000111.6L11 K25 F47 A85 V86 K92 A93L11-Y89 HydrophobicContact CD1-CD1 4.46Å; L11-Y89 HydrophobicContact CD2-CD1 4.3Å; L11-Y89 HydrophobicContact CD2-CE1 4.29Å; K25-Y89 PolarHBondContact NZ-OH 2.95Å; F47-Y89 HydrophobicContact CE1-CD2 4.31Å; F47-Y89 AromaticContact CE1-CG 3.97Å; F47-Y89 HydrophobicContact CE1-CG 3.97Å; F47-Y89 HydrophobicContact CZ-CD1 4.16Å; F47-Y89 HydrophobicContact CZ-CD2 4.39Å; F47-Y89 AromaticContact CZ-CG 3.99Å; F47-Y89 HydrophobicContact CZ-CG 3.99Å; A85-Y89 VanDerWaalsContact O-CB 3.29Å; A85-Y89 WeakPolarHBondContact O-CB 3.24Å; A85-Y89 PolarHBondContact O-N 3.18Å; V86-Y89 WeakPolarHBondContact O-CB 3.27Å; V86-Y89 PolarHBondContact O-N 3.15Å; Y89-K92 PolarHBondContact O-N 2.98Å; Y89-A93 WeakPolarHBondContact O-CB 3.4Å; Y89-A93 PolarHBondContact O-N 3.08Å
90L87.7Confident75.7Confident36 Ų3684 Ų8419%0.18842%0.423CS..Hα-helixtrans-65.7-40.6176.4-75.8169.5000112.6L11 Y63 H64 V86 E87 D88 A93 K94L11-L90 HydrophobicContact CD1-CD1 4.03Å; L11-L90 HydrophobicContact CD1-CD2 3.57Å; L11-L90 HydrophobicContact CD1-CG 3.79Å; Y63-L90 HydrophobicContact CE1-CD1 4.48Å; H64-L90 WeakPolarHBondContact NE2-CD1 3.45Å; V86-L90 HydrophobicContact CG1-CD1 4.12Å; V86-L90 HydrophobicContact CG1-CG 4.48Å; V86-L90 WeakPolarHBondContact O-CG 3.49Å; V86-L90 PolarHBondContact O-N 2.96Å; E87-L90 WeakPolarHBondContact O-CB 3.49Å; E87-L90 PolarHBondContact O-N 3.06Å; D88-L90 VanDerWaalsContact C-N 3.33Å; L90-A93 PolarHBondContact O-N 3.17Å; L90-K94 PolarHBondContact O-N 3.38Å; L90-K94 VanDerWaalsContact O-N 3.12Å
91K85.6Confident73.2Confident135 Ų13588.7 Ų88.759%0.58745%0.446SS*.Hα-helixtrans-62.3-44.6174.4-71.8171.4-167.3161.10111.5E87 D88 A93 K94 G95E87-K91 WeakPolarHBondContact O-CG 3.49Å; E87-K91 PolarHBondContact O-N 3.23Å; D88-K91 PolarHBondContact O-N 3.17Å; D88-K91 IonicContact OD1-NZ 3.21Å; D88-K91 PolarHBondContact OD1-NZ 3.09Å; K91-A93 VanDerWaalsContact C-N 3.34Å; K91-A93 PolarHBondContact O-N 3.28Å; K91-K94 PolarHBondContact O-N 2.89Å; K91-G95 PolarHBondContact O-N 3.17Å
92K82.8Confident70.6Confident161 Ų16186.8 Ų86.870%0.746%0.455SS*.Hα-helixtrans-64.8-35.4177.1-73.9176.4-178.3177.70112.6D88 Y89 K96D88-K92 WeakPolarHBondContact O-CB 3.4Å; D88-K92 WeakPolarHBondContact O-CG 3.27Å; D88-K92 PolarHBondContact O-N 2.99Å; Y89-K92 PolarHBondContact O-N 2.98Å; K92-K96 PolarHBondContact O-N 3.01Å
93A77.2Confident67.8Low42 Ų4296.8 Ų96.835%0.34750%0.498SS..Hα-helixtrans-66.1-43.1175.500000112.1Y89 L90 K91 K96 E97Y89-A93 WeakPolarHBondContact O-CB 3.4Å; Y89-A93 PolarHBondContact O-N 3.08Å; L90-A93 PolarHBondContact O-N 3.17Å; K91-A93 VanDerWaalsContact C-N 3.34Å; K91-A93 PolarHBondContact O-N 3.28Å; A93-K96 PolarHBondContact O-N 2.95Å; A93-E97 PolarHBondContact O-N 3.47Å
94K70.2Confident64.8Low146 Ų146100.6 Ų100.664%0.63554%0.537SS*.Hα-helixtrans-66.4-35.2175.7-72.2-178177-178.10113.5L90 K91 K96 E97 Q98L90-K94 PolarHBondContact O-N 3.38Å; L90-K94 VanDerWaalsContact O-N 3.12Å; K91-K94 PolarHBondContact O-N 2.89Å; K94-K96 VanDerWaalsContact C-N 3.29Å; K94-K96 PolarHBondContact O-N 3.44Å; K94-E97 PolarHBondContact O-N 2.95Å; K94-Q98 PolarHBondContact O-N 3.01Å
95G55.4Low62Low36 Ų36104.4 Ų104.437%0.37156%0.558SS.*Hα-helixtrans-68-25.1175.500000114.1K91 N99K91-G95 PolarHBondContact O-N 3.17Å; G95-N99 PolarHBondContact O-N 2.91Å
96K54.6Low59.1Low171 Ų171107.1 Ų107.174%0.74358%0.575SS**Hα-helixtrans-78-32.4173.6-82-172.7174.2-173.60113.1K92 A93 K94 S100K92-K96 PolarHBondContact O-N 3.01Å; A93-K96 PolarHBondContact O-N 2.95Å; K94-K96 VanDerWaalsContact C-N 3.29Å; K94-K96 PolarHBondContact O-N 3.44Å; K96-S100 PolarHBondContact O-OG 3.3Å
97E51.4Low56.2Low135 Ų135117 Ų11763%0.63162%0.618SS**Hα-helixtrans-70.9-38174.9-75.2177.2162.200111.7A93 K94 N99 S100A93-E97 PolarHBondContact O-N 3.47Å; K94-E97 PolarHBondContact O-N 2.95Å; E97-N99 PolarHBondContact O-N 3.49Å; E97-S100 PolarHBondContact O-N 3.31Å; E97-S100 PolarHBondContact O-OG 3.36Å
98Q46.3Very low53.2Low153 Ų153118.3 Ų118.372%0.71565%0.645SS**Hα-helixtrans-71.9-26.2177.4-73.5-177.7-17.500114.1K94 S100K94-Q98 PolarHBondContact O-N 3.01Å; Q98-S100 VanDerWaalsContact C-N 3.28Å; Q98-S100 PolarHBondContact O-N 3.21Å
99N42Very low50.3Low153 Ų153125.1 Ų125.182%0.81867%0.67SS**THydrogen-bonded Turntrans-82-2173.3-93.5-5.5000113.9G95 E97G95-N99 PolarHBondContact O-N 2.91Å; E97-N99 PolarHBondContact O-N 3.49Å
100S40.5Very low47.4Very low94 Ų94130.8 Ų130.866%0.65770%0.697SS**THydrogen-bonded Turntrans-103.1-4.1173.855.40000114.9K96 E97 Q98K96-S100 PolarHBondContact O-OG 3.3Å; E97-S100 PolarHBondContact O-N 3.31Å; E97-S100 PolarHBondContact O-OG 3.36Å; Q98-S100 VanDerWaalsContact C-N 3.28Å; Q98-S100 PolarHBondContact O-N 3.21Å
101E37.2Very low44.6Very low175 Ų175133.6 Ų133.682%0.81873%0.725SS**SBendtrans-101.119177.2-74.4-171.5153.200113.8
102G34.7Very low41.8Very low67 Ų67133.2 Ų133.269%0.69174%0.74SS**SBendtrans-105.149.8178.900000114.4
103K31.9Very low39.1Very low210 Ų210132.7 Ų132.791%0.91375%0.745SS**SBendtrans-173113.7163.2-110169.8-176.8-179.30111.9
104G28.3Very low36.5Very low81 Ų81140 Ų14084%0.83577%0.769SS**  trans1118614900000119.1
105D29.5Very low34.8Very low152 Ų152138.1 Ų138.181%0.81377%0.771SS**  trans24.4126.5143.1-104.6-26.4000124.9
106S29.6Very low33.2Very low91 Ų91144.7 Ų144.764%0.63680%0.797SS**  trans44.9106.9133.969.10000122.4
107K29.2Very low31.8Very low206 Ų206146.2 Ų146.290%0.89680%0.803SS**  159.2119.5120.8-89.3174.4179.21730113.2
108G27.5Very low30.6Very low76 Ų76146.8 Ų146.878%0.78481%0.809SS**  trans34.7130.2141.800000124.1
109K27.7Very low29.5Very low220 Ų220147.9 Ų147.996%0.95782%0.819SS**  trans109.5144141.8-72.8-178.4174.8174.60119.2
110K26.9Very low28.8Very low206 Ų206148.4 Ų148.490%0.89682%0.817SS**  trans-57.5148.9-173-75171168.2176.90116.2
111A29Very low28.2Very low95 Ų95152 Ų15279%0.78582%0.823SS**  trans63.7125.4140.100000120.8
112S25.5Very low27.7Very low128 Ų128150.1 Ų150.190%0.89582%0.819SS**  162.8164.4113.3620000113.3
113N25.8Very low27.4Very low150 Ų150154 Ų15480%0.80282%0.824SS**  trans-57.8141.2-171.8-80.8-41.3000117.8
114K24.2Very low27.2Very low196 Ų196153.1 Ų153.185%0.85282%0.823SS**  trans49.7170.7140.9-79.2-172.9176.8-179.80119.8
115P32.8Very low27.1Very low106 Ų106155.9 Ų155.969%0.68882%0.818SS**  -131.1165.1-50.438-21.8000112
116L23.5Very low26.9Very low173 Ų173156.8 Ų156.891%0.90682%0.822SS**  trans-141.9115.7160.3-90.3110000108.8
117K23.8Very low26.7Very low203 Ų203157.2 Ų157.288%0.88383%0.825SS**  69.711875.7-100.2-171.7178-174.60113.7
118I26.8Very low26.5Very low148 Ų148151.7 Ų151.776%0.75982%0.818SS**  trans-69.5146.1176.6-63.8162.9000109.5E120I118-E120 HydrophobicContact CG2-CG 4.31Å
119L23.9Very low26.4Very low175 Ų175155.7 Ų155.792%0.91682%0.821SS**  trans-126.5126.4154.7-78.7167.2000108.2
120E27.1Very low26.3Very low165 Ų165154.8 Ų154.877%0.77182%0.817SS**  trans-93.3179.9164.5-74.8-178.9145.700109.4I118I118-E120 HydrophobicContact CG2-CG 4.31Å
121E27.9Very low26.2Very low168 Ų168152.2 Ų152.279%0.78581%0.813SS**  trans88.3138.3167.1-58.5-177.617900115.4
122D25.6Very low26.3Very low136 Ų136152.9 Ų152.973%0.72781%0.809SS**  cis-169.1173.3-5.6-103.9-20000108.9
123D28.4Very low26.3Very low149 Ų149151.8 Ų151.880%0.79780%0.802SS**  trans-44.8150.7175.3-70.5-49.6000117.2
124E28.1Very low26.3Very low191 Ų191153.8 Ų153.889%0.89381%0.806SS**  -179.1129.2114.4-99.4-173.1-177.700113.2
125D26.6Very low26.4Very low140 Ų140154.1 Ų154.175%0.74981%0.807SS**  trans36137.5137.8-128.3-11.8000122.8
126L26.2Very low26.1Very low171 Ų171155.8 Ų155.890%0.89581%0.81SS**  trans-175.6106.2137.1-98.8166.9000110.9
127S24.1Very low26.1Very low100 Ų100156.1 Ų156.170%0.69981%0.812SS**  trans-75.7137.8156.751.80000110.6
128A25Very low26.2Very low90 Ų90151.7 Ų151.774%0.74480%0.803SS**  trans156.5153.3144.100000112.7
129L26Very low26.1Very low159 Ų159151.9 Ų151.983%0.83281%0.805SS**  trans9887.7168.2-54.9166.5000113.9
130K24.9Very low26.2Very low202 Ų202148.5 Ų148.588%0.87880%0.796SS**  75.111779.2-83.7-170.1174-179.50114.5
131D25.6Very low26.1Very low151 Ų151148.4 Ų148.481%0.80780%0.801SS**  trans-43.8156.1154.6-129.9-27.9000113.1
132P30.6Very low26.2Very low109 Ų109146.3 Ų146.371%0.70880%0.802SS**  -146.3153.3103.936.1-19.9000117.2
133S25.4Very low26.3Very low106 Ų106148.5 Ų148.574%0.74181%0.808SS**  trans102.490.313666.80000119.1
134E25.6Very low27Very low191 Ų191146.4 Ų146.489%0.89380%0.802SS**  trans-51.2145.7138.4-70.5172.6138.700112
135K26.8Very low26.9Very low203 Ų203142.8 Ų142.888%0.88380%0.798SS**  trans-136.6118.1147.4-99.9-171.4178.3-179.40109.8
136D25.4Very low26.8Very low141 Ų141140.4 Ų140.475%0.75480%0.798SS**  trans-22.8141.3160.2-64-50.3000116.8
137L24.9Very low26.8Very low181 Ų181139 Ų13995%0.94879%0.79SS**  -150.1109.6127.1-92.5170000108.3
138T24.3Very low26.8Very low110 Ų110143 Ų14368%0.67580%0.798SS**  trans-90.2165.4169.748.60000111.4
139D24.8Very low26.8Very low152 Ų152149.3 Ų149.381%0.81380%0.803SS**  trans72.9133165.9-68.5-22.4000116.2
140S26.6Very low26.7Very low104 Ų104150.3 Ų150.373%0.72781%0.808SS**  cis-172.1137.822.419.70000109
141D25.6Very low26.8Very low162 Ų162144.6 Ų144.687%0.86681%0.806SS**  trans-73156152.9-80.5-41.6000109.4
142P29.3Very low26.7Very low125 Ų125142.7 Ų142.781%0.81281%0.812SS**  trans-124.1139.7137.433-21.9000112.3
143E27.6Very low26.5Very low181 Ų181141 Ų14185%0.84681%0.814SS**  trans-85.1-163.1179.7-146.6-151.4-165.700110.7
144P43Very low27Very low106 Ų106142.3 Ų142.369%0.68882%0.82SS**  -118-177.7-114.239.9-21000114
145S25.8Very low27Very low115 Ų115136.8 Ų136.880%0.80481%0.814SS**  trans-136.2113.5167.864.90000114.1
146A26Very low27.1Very low90 Ų90132.9 Ų132.974%0.74481%0.812SS**  trans50.3116.3141.600000120.7
147L25.2Very low27.1Very low140 Ų140129.7 Ų129.773%0.73381%0.812SS**  67.6126.480.5-87150.9000113R149L147-R149 HydrophobicContact CD2-CG 4.28Å
148E25Very low27.1Very low185 Ų185131.4 Ų131.486%0.86481%0.813SS**  cis-147.2135.247.6-69174.2129.600111.2
149R24.4Very low27.1Very low223 Ų223135 Ų13584%0.84282%0.819SS**  65.3118.274.5-81.6-167.6-175.8-178.34.1117.9L147L147-R149 HydrophobicContact CD2-CG 4.28Å
150L24.9Very low27Very low180 Ų180139.4 Ų139.494%0.94282%0.824SS**  trans-174.3101.1130.9-91.1162.8000106.1
151G25Very low26.8Very low81 Ų81143.1 Ų143.184%0.83583%0.83SS**  73.9129.686.500000112.1
152A25.3Very low27Very low112 Ų112140.1 Ų140.193%0.92682%0.822SS**  cis-170.9157.30.500000108.5
153G26.3Very low26.8Very low74 Ų74139.5 Ų139.576%0.76382%0.821SS**  trans129.3141.4154.400000117.2
154P35.3Very low27Very low133 Ų133137 Ų13786%0.86482%0.82SS**  trans-119.5154.7-136.937.5-23.6000116.9
155G26Very low26.7Very low74 Ų74138.1 Ų138.176%0.76383%0.825SS**  84.9108.1122.300000120
156S28.1Very low26.9Very low122 Ų122142.3 Ų142.385%0.85383%0.829SS**  trans155.9127.8134.752.60000108.2
157G26Very low27.2Very low73 Ų73145.5 Ų145.575%0.75383%0.833SS**  cis90.956.927.800000110.1K159G157-K159 PolarHBondContact O-N 3.37Å
158F24.6Very low27.6Very low217 Ų217144.7 Ų144.795%0.95283%0.829SS**  trans-82.1105.8-178.6-135.4-94.3000110.1
159K24.3Very low28.3Very low185 Ų185141.6 Ų141.680%0.80483%0.825SS**  trans-93.2143.1170-104.9-177.7174.2-1780109.4G157G157-K159 PolarHBondContact O-N 3.37Å
160W22.9Very low28.9Very low245 Ų245139.4 Ų139.493%0.92882%0.824SS**  trans-79.4120.9171-167.4-90.7000109.9
161E22.1Very low29.3Very low182 Ų182140.2 Ų140.285%0.8582%0.821SS**  trans-131.9140.5169-107.7177.1-168.200110.8
162S29.4Very low29.6Very low99 Ų99144.7 Ų144.769%0.69282%0.819SS**  trans-97.7141.7-174.150.20000113
163S24.8Very low29.9Very low113 Ų113147.9 Ų147.979%0.7982%0.815SS**  trans102.5157.6159-43.10000116.7
164P33.2Very low30.2Very low127 Ų127153.6 Ų153.683%0.82582%0.819SS**  cis-124.8175.4-41.933.7-15.9000112.8
165V36.9Very low30.2Very low131 Ų131154.5 Ų154.579%0.79482%0.816SS**  trans-56.3145.7-171.5179.80000115.8
166K29.4Very low30.7Very low203 Ų203159.1 Ų159.188%0.88382%0.822SS**  trans-135.6144.9151.8-87.6-171.1177-179.90110.8
167D32.2Very low30.7Very low157 Ų157158 Ų15884%0.8482%0.815SS**  trans-68.7138.9-157.9-54.6-69000116.7
168D33.5Very low30.9Very low122 Ų122162.7 Ų162.765%0.65282%0.817SS**  trans-120.5125.4165.9-166.7-19000109.5H170D168-H170 VanDerWaalsContact C-N 3.28Å; D168-H170 PolarHBondContact O-N 3.5Å; D168-H170 VanDerWaalsContact O-N 3.12Å
169P39.9Very low31.8Very low120 Ų120157.6 Ų157.678%0.77981%0.808SS**THydrogen-bonded Turntrans-77.67.1-165-11.428.7000116.4
170H36.7Very low32.2Very low178 Ų178157.2 Ų157.282%0.82481%0.809SS**THydrogen-bonded Turntrans-95.13.3-175.6-102.9-67.3000116D168D168-H170 VanDerWaalsContact C-N 3.28Å; D168-H170 PolarHBondContact O-N 3.5Å; D168-H170 VanDerWaalsContact O-N 3.12Å
171F32.4Very low33Very low197 Ų197155.7 Ų155.786%0.86481%0.809SS**SBendtrans-109.24.2-175.4-121.7-94.7000115.9
172H31.6Very low33.3Very low175 Ų175152.3 Ų152.381%0.8180%0.803SS**  trans-110.921.8-172-94.9-69.2000116.4
173H33.3Very low34Very low178 Ų178153 Ų15382%0.82481%0.814SS**SBendtrans-112.724.4179-146-69.9000115.4
174F31.4Very low34.6Very low195 Ų195152.3 Ų152.386%0.85581%0.81SS**SBendtrans-112.5-4.3174-160.6-103.7000115.2
175L34.9Very low34.6Very low152 Ų152150.8 Ų150.880%0.79680%0.802SS**SBendtrans-117.3-14.4-170.1-86.2174.3000119.9
176L36.2Very low34.5Very low170 Ų170153.3 Ų153.389%0.8981%0.808SS**SBendtrans-153.191.6177.6-70.7172.9000112.7
177S28.3Very low34.7Very low100 Ų100151.1 Ų151.170%0.69980%0.8SS**  trans169.9128.4130.456.20000110.5
178Q30.6Very low34.9Very low170 Ų170148.7 Ų148.779%0.79479%0.793SS**  trans157.396.1135.2-78.2-84.15.400106.4E180Q178-E180 PolarHBondContact O-N 2.92Å
179S43.3Very low35.5Very low111 Ų111151 Ų15178%0.77680%0.803SS**  trans-56.6107.1160.647.80000109.7
180E33.9Very low35.4Very low177 Ų177149.4 Ų149.483%0.82780%0.795SS**  trans-159.5128.7150.1-110.3170.7-157.400107.4Q178 P182Q178-E180 PolarHBondContact O-N 2.92Å; E180-P182 VanDerWaalsContact O-CD 3.23Å; E180-P182 WeakPolarHBondContact O-CD 3.33Å
181K38.5Very low35.8Very low212 Ų212150.1 Ų150.192%0.92280%0.796SS**  trans-73.3128.9175.4-77.3177.3175.5176.10108.9
182P29.3Very low36.3Very low111 Ų111151 Ų15172%0.72179%0.794SS**  trans-104.6129.8136.116.11.8000108.2E180 S184E180-P182 VanDerWaalsContact O-CD 3.23Å; E180-P182 WeakPolarHBondContact O-CD 3.33Å; P182-S184 PolarHBondContact O-N 3.01Å
183A44.2Very low36.7Very low113 Ų113150.3 Ų150.393%0.93480%0.795SS**  trans-55.5107.6166.300000108.9
184S36.8Very low36.9Very low99 Ų99150.8 Ų150.869%0.69280%0.795SS**  trans-142.7101.3167.6174.70000105.4P182 M186P182-S184 PolarHBondContact O-N 3.01Å; S184-M186 PolarHBondContact O-N 2.93Å
185S33.2Very low37.4Very low95 Ų95148.6 Ų148.666%0.66479%0.791SS**  trans-56.6106.716954.20000107.8E187S185-E187 PolarHBondContact O-N 3.24Å
186M34.3Very low37.8Very low185 Ų185147.6 Ų147.691%0.91178%0.784SS**  trans-64.582.8148.3-78.1-17880.600105.6S184 P188S184-M186 PolarHBondContact O-N 2.93Å; M186-P188 WeakPolarHBondContact O-CD 3.49Å
187E34.2Very low37.9Very low157 Ų157148 Ų14873%0.73478%0.782SS**  trans-59.8122.1160.7-78.5-169.2154.700105.7S185 I189S185-E187 PolarHBondContact O-N 3.24Å; E187-I189 PolarHBondContact O-N 2.74Å
188P37.2Very low38.5Very low105 Ų105150.2 Ų150.268%0.68278%0.781SS**  trans-55136.316724.2-31000106.5M186 S190M186-P188 WeakPolarHBondContact O-CD 3.49Å; P188-S190 PolarHBondContact O-N 3.11Å
189I45.3Very low38.9Very low170 Ų170148.9 Ų148.987%0.87278%0.784SS**  trans-66.575.1165.3-58.4173000106.2E187E187-I189 PolarHBondContact O-N 2.74Å
190S39Very low38.9Very low87 Ų87149 Ų14961%0.60878%0.78SS**  trans-102.549.6169.7-158.10000106.2P188 R192P188-S190 PolarHBondContact O-N 3.11Å; S190-R192 PolarHBondContact O-N 2.97Å
191K45.1Very low39.2Very low194 Ų194143.3 Ų143.384%0.84377%0.769SS**  trans-69.683.3150.6-81.5-174.9179.1177.20104.9L193K191-L193 PolarHBondContact O-N 3.47Å
192R43Very low39.5Very low215 Ų215135.7 Ų135.781%0.81174%0.743SS**  trans-44.4119.7159.6-88.1-178172.1178.7-2.2105.3S190 K194S190-R192 PolarHBondContact O-N 2.97Å; R192-K194 PolarHBondContact O-N 3.36Å
193L38.1Very low40.6Very low161 Ų161133.3 Ų133.384%0.84373%0.726SS**  trans-49.3102.1158.3-90.3153.1000104.7K191 I195K191-L193 PolarHBondContact O-N 3.47Å; L193-I195 VanDerWaalsContact C-N 3.31Å; L193-I195 PolarHBondContact O-N 2.99Å
194K38.6Very low40.7Very low188 Ų188130.4 Ų130.482%0.81770%0.699SS**  trans-63.7107.7168.8-78.5-175.4178.1-179.20103R192 I196R192-K194 PolarHBondContact O-N 3.36Å; K194-I196 PolarHBondContact O-N 3.01Å
195I41.3Very low41.6Very low149 Ų149127.6 Ų127.676%0.76468%0.676SS**  trans-57.8104.5162.3-61.3174.5000103.1L193 E197L193-I195 VanDerWaalsContact C-N 3.31Å; L193-I195 PolarHBondContact O-N 2.99Å; I195-E197 VanDerWaalsContact C-N 3.25Å; I195-E197 HydrophobicContact CG2-CG 4.33Å; I195-E197 PolarHBondContact O-N 3.18Å
196I44.7Very low42Very low130 Ų130130.2 Ų130.267%0.66768%0.678SS**  trans-70.594.2177-64.6173.4000104.7K194 E198K194-I196 PolarHBondContact O-N 3.01Å; I196-E198 HydrophobicContact CG2-CB 3.62Å; I196-E198 HydrophobicContact CG2-CG 3.75Å; I196-E198 PolarHBondContact O-N 3.01Å; I196-E198 VanDerWaalsContact O-N 3.15Å
197E37.4Very low42.4Very low179 Ų179121.8 Ų121.884%0.83664%0.637SS**  trans-77.839.4163.1-72.7-172.7159.400110.1I195 V199I195-E197 VanDerWaalsContact C-N 3.25Å; I195-E197 HydrophobicContact CG2-CG 4.33Å; I195-E197 PolarHBondContact O-N 3.18Å; E197-V199 PolarHBondContact O-N 2.94Å
198E41Very low42.5Very low147 Ų147116.9 Ų116.969%0.68762%0.624SS**  trans-71.5120.5161.8-78.6-177.916600106.5I196 T200I196-E198 HydrophobicContact CG2-CB 3.62Å; I196-E198 HydrophobicContact CG2-CG 3.75Å; I196-E198 PolarHBondContact O-N 3.01Å; I196-E198 VanDerWaalsContact O-N 3.15Å; E198-T200 PolarHBondContact O-N 3.49Å
199V38.4Very low42.4Very low142 Ų142118.7 Ų118.786%0.86163%0.628SS**  trans-61.979.4165.1-175.40000106.2E197 G201E197-V199 PolarHBondContact O-N 2.94Å; V199-G201 VanDerWaalsContact C-N 3.31Å; V199-G201 PolarHBondContact O-N 2.96Å
200T44.4Very low42.1Very low112 Ų112113.2 Ų113.269%0.68761%0.605SS**  trans-60107.5162.250.10000103.6E198 S202E198-T200 PolarHBondContact O-N 3.49Å; T200-S202 PolarHBondContact O-N 3.44Å
201G38.4Very low42.4Very low58 Ų58110.1 Ų110.160%0.59858%0.582SS**  trans-67.655.4176.400000110.3V199 T203V199-G201 VanDerWaalsContact C-N 3.31Å; V199-G201 PolarHBondContact O-N 2.96Å; G201-T203 PolarHBondContact O-N 3.43Å
202S45.2Very low42.3Very low52 Ų52102.8 Ų102.836%0.36456%0.557SS.*  trans-65.287.7173.5168.20000107T200 S204T200-S202 PolarHBondContact O-N 3.44Å; S202-S204 PolarHBondContact O-N 3.16Å; S202-S204 VanDerWaalsContact O-N 3.16Å
203T52.5Low42.3Very low61 Ų6198.2 Ų98.237%0.37455%0.548SS..  trans-76.199.7167.155.40000106.5G201 I205 R361G201-T203 PolarHBondContact O-N 3.43Å; T203-I205 PolarHBondContact O-N 3.06Å; T203-R361 VanDerWaalsContact OG1-CZ 3.23Å; T203-R361 PolarHBondContact OG1-NH1 3Å; T203-R361 PolarHBondContact OG1-NH2 3.22Å
204S47.6Very low42.7Very low53 Ų5396 Ų9637%0.37154%0.537SS..EExtended strand (participates in β ladder)trans-64.2127.3164.757.10000107.8S202 Q206 S378S202-S204 PolarHBondContact O-N 3.16Å; S202-S204 VanDerWaalsContact O-N 3.16Å; S204-Q206 PolarHBondContact O-N 2.79Å; S204-S378 WeakPolarHBondContact CA-O 3.34Å
205I53.8Low43.4Very low39 Ų3990 Ų9020%0.253%0.529CS..EExtended strand (participates in β ladder)trans-75.4109.1153-66.8174.7000102.7T203 A207 Y364 S378T203-I205 PolarHBondContact O-N 3.06Å; I205-A207 PolarHBondContact O-N 2.94Å; I205-Y364 WeakPolarHBondContact CB-OH 3.45Å; I205-Y364 HydrophobicContact CD1-CD1 3.98Å; I205-Y364 HydrophobicContact CD1-CE1 3.24Å; I205-Y364 HydrophobicContact CG1-CE1 3.63Å; I205-Y364 WeakPolarHBondContact CG1-OH 3.19Å; I205-Y364 PolarHBondContact N-OH 3.44Å; I205-S378 PolarHBondContact N-O 2.82Å; I205-S378 VanDerWaalsContact N-O 3.11Å; I205-S378 PolarHBondContact O-N 3.12Å; I205-S378 VanDerWaalsContact O-O 3.14Å
206Q43.4Very low44.4Very low151 Ų15187.6 Ų87.671%0.70653%0.525SS*.  trans-6394161.1-72.6-172.2-22.600105S204 A208S204-Q206 PolarHBondContact O-N 2.79Å; Q206-A208 VanDerWaalsContact C-N 3.28Å; Q206-A208 PolarHBondContact O-N 3.32Å
207A41.8Very low46Very low7 Ų782 Ų826%0.05850%0.496CS..  trans-56.3109.8156.800000103I205 D209 Q372 K376I205-A207 PolarHBondContact O-N 2.94Å; A207-D209 PolarHBondContact O-N 3.07Å; A207-Q372 HydrophobicContact CB-CG 3.97Å; A207-K376 VanDerWaalsContact O-O 3.13Å
208A35.6Very low48.5Very low54 Ų5479.3 Ų79.345%0.44649%0.492SS..  trans-51.1137.7-159.300000109Q206 S210 T211Q206-A208 VanDerWaalsContact C-N 3.28Å; Q206-A208 PolarHBondContact O-N 3.32Å; A208-S210 PolarHBondContact O-N 3.28Å; A208-T211 WeakPolarHBondContact CB-OG1 3.33Å; A208-T211 PolarHBondContact N-OG1 3.22Å; A208-T211 PolarHBondContact O-N 3Å; A208-T211 PolarHBondContact O-OG1 3.01Å
209D35.1Very low51Low144 Ų14474.4 Ų74.477%0.7747%0.473SS*.THydrogen-bonded Turntrans-34110.2168.8-82.2-36.5000107A207A207-D209 PolarHBondContact O-N 3.07Å
210S39.4Very low53.7Low55 Ų5569.1 Ų69.139%0.38544%0.441SS..THydrogen-bonded Turntrans71.529.1175.261.60000120.4A208 A212 I213 N214A208-S210 PolarHBondContact O-N 3.28Å; S210-A212 PolarHBondContact O-N 3.44Å; S210-I213 CarbonylContact O-C 3.47Å; S210-I213 WeakPolarHBondContact O-CA 3.48Å; S210-I213 PolarHBondContact O-N 3.49Å; S210-N214 WeakPolarHBondContact O-CB 3.49Å; S210-N214 PolarHBondContact O-N 3.39Å
211T44.9Very low56.2Low21 Ų2171.7 Ų71.713%0.12945%0.451CS..Hα-helixtrans-66.2-36.2176.9-32.70000114.4A208 I213 N214 G215 I217A208-T211 WeakPolarHBondContact CB-OG1 3.33Å; A208-T211 PolarHBondContact N-OG1 3.22Å; A208-T211 PolarHBondContact O-N 3Å; A208-T211 PolarHBondContact O-OG1 3.01Å; T211-I213 PolarHBondContact O-N 3.02Å; T211-I213 VanDerWaalsContact O-N 3.15Å; T211-N214 PolarHBondContact O-N 3.02Å; T211-N214 VanDerWaalsContact O-N 3.15Å; T211-G215 PolarHBondContact O-N 3.14Å; T211-G215 VanDerWaalsContact O-N 3.12Å; T211-I217 HydrophobicContact CG2-CD1 4.14Å; T211-I217 HydrophobicContact CG2-CG1 3.52Å
212A42.7Very low59Low40 Ų4072 Ų7233%0.33144%0.436SS..Hα-helixtrans-62.5-18.3171.200000113.1S210 M352S210-A212 PolarHBondContact O-N 3.44Å; A212-M352 HydrophobicContact CB-CE 3.96Å
213I44.6Very low61.5Low119 Ų11974.6 Ų74.661%0.6144%0.437SS*.Hα-helixtrans-97.4-24177.2-57.5172.9000111.5S210 T211 M352S210-I213 CarbonylContact O-C 3.47Å; S210-I213 WeakPolarHBondContact O-CA 3.48Å; S210-I213 PolarHBondContact O-N 3.49Å; T211-I213 PolarHBondContact O-N 3.02Å; T211-I213 VanDerWaalsContact O-N 3.15Å; I213-M352 HydrophobicContact CD1-CE 3.89Å; I213-M352 HydrophobicContact CG1-CE 3.84Å
214N45.5Very low63.7Low116 Ų11671.7 Ų71.762%0.6242%0.419SS*.Hα-helixtrans-101.9-3.1-174.9-75.9-18.8000115.3S210 T211 S216S210-N214 WeakPolarHBondContact O-CB 3.49Å; S210-N214 PolarHBondContact O-N 3.39Å; T211-N214 PolarHBondContact O-N 3.02Å; T211-N214 VanDerWaalsContact O-N 3.15Å; N214-S216 VanDerWaalsContact C-N 3.32Å; N214-S216 PolarHBondContact O-N 3.35Å
215G52.8Low66.2Low62 Ų6269.1 Ų69.164%0.63940%0.402SS*.  trans65.621.6162.400000116.9T211T211-G215 PolarHBondContact O-N 3.14Å; T211-G215 VanDerWaalsContact O-N 3.12Å
216S63.5Low68.3Low97 Ų9767.3 Ų67.368%0.67839%0.392SS*.  trans-123.960.1-179.8-179.40000111.6N214N214-S216 VanDerWaalsContact C-N 3.32Å; N214-S216 PolarHBondContact O-N 3.35Å
217I78.1Confident71Confident14 Ų1460.1 Ų60.17%0.07236%0.359CS..  trans-100.3125.3163.2-58172.4000106.5T211 P219 M243 Q372 A373T211-I217 HydrophobicContact CG2-CD1 4.14Å; T211-I217 HydrophobicContact CG2-CG1 3.52Å; I217-P219 WeakPolarHBondContact O-CD 3.32Å; I217-M243 HydrophobicContact CB-CE 3.67Å; I217-M243 HydrophobicContact CD1-CE 3.84Å; I217-M243 HydrophobicContact CD1-CG 4.3Å; I217-M243 HydrophobicContact CG1-CE 3.82Å; I217-Q372 VanDerWaalsContact CD1-C 3.45Å; I217-Q372 HydrophobicContact CD1-CB 3.49Å; I217-Q372 VanDerWaalsContact CD1-CB 3.49Å; I217-Q372 WeakPolarHBondContact CD1-O 3.29Å; I217-Q372 HydrophobicContact CG1-CB 4.14Å; I217-A373 HydrophobicContact CD1-CB 4.35Å
218T90Very high73.7Confident122 Ų12260 Ų6075%0.74836%0.358SS*.  trans-79.5114.7165.7-55.60000107.4S369T218-S369 WeakPolarHBondContact O-CB 3.17Å
219P94Very high76.6Confident44 Ų4457.7 Ų57.729%0.28634%0.338SS..  trans-62.8152.3179.226.4-33.5000110.3I217I217-P219 WeakPolarHBondContact O-CD 3.32Å
220T95.1Very high79.5Confident31 Ų3152.2 Ų52.219%0.1932%0.316CS..  trans-72.1146.8173.6-175.20000110.9K222 I224 S369T220-K222 HydrophobicContact CG2-CB 3.96Å; T220-K222 PolarHBondContact O-N 3.01Å; T220-K222 PolarHBondContact OG1-N 2.8Å; T220-I224 HydrophobicContact CG2-CD1 4.02Å; T220-S369 PolarHBondContact N-OG 3.23Å
221D96.3Very high82.1Confident166 Ų16650.8 Ų50.889%0.88830%0.304SS*.SBendtrans-71.8-10.9171.7-59.9-43.7000112.8
222K97.5Very high84.6Confident65 Ų6550.9 Ų50.928%0.28330%0.303SS..SBendtrans-67.6135.1177.6-69.4-174.8172.281.10110.6T220 I224 D279 I280 D366T220-K222 HydrophobicContact CG2-CB 3.96Å; T220-K222 PolarHBondContact O-N 3.01Å; T220-K222 PolarHBondContact OG1-N 2.8Å; K222-I224 PolarHBondContact O-N 2.88Å; K222-D279 HydrophobicContact CB-CB 4.12Å; K222-D279 HydrophobicContact CG-CB 4.35Å; K222-I280 HydrophobicContact CB-CD1 4.25Å; K222-I280 HydrophobicContact CD-CD1 3.46Å; K222-I280 VanDerWaalsContact CD-CD1 3.46Å; K222-I280 HydrophobicContact CD-CG1 4.06Å; K222-I280 HydrophobicContact CG-CD1 4.49Å; K222-D366 IonicContact NZ-OD1 3.89Å; K222-D366 PolarHBondContact NZ-OD1 3.01Å; K222-D366 IonicContact NZ-OD2 2.91Å
223R98.2Very high87.2Confident105 Ų10549 Ų4940%0.39629%0.287SS..PPolyproline II helixtrans-72.7127.1174.1-67.3-175.6-58-64.9-16.6109.7M277 C278 D279 I280R223-M277 PolarHBondContact NE-O 3.37Å; R223-M277 PolarHBondContact NH2-O 3.17Å; R223-C278 HydrophobicContact CB-CB 4.49Å; R223-C278 WeakPolarHBondContact O-CB 3.48Å; R223-D279 IonicContact CZ-OD1 3.09Å; R223-D279 IonicContact CZ-OD2 2.67Å; R223-D279 PolarHBondContact N-OD2 2.91Å; R223-D279 IonicContact NH1-OD2 2.82Å; R223-D279 IonicContact NH2-OD1 2.69Å; R223-D279 PolarHBondContact NH2-OD1 3.46Å; R223-D279 IonicContact NH2-OD2 3.12Å; R223-D279 PolarHBondContact O-N 3.38Å; R223-I280 PolarHBondContact O-N 3.38Å
224I98.8Very high89.7Confident0 Ų045 Ų450%027%0.27CS..EExtended strand (participates in β ladder)trans-100.1131.1-176.3-53.4-53.4000110.3T220 K222 L240 H245 V246 V247 T248 C278 I280 F282T220-I224 HydrophobicContact CG2-CD1 4.02Å; K222-I224 PolarHBondContact O-N 2.88Å; I224-L240 HydrophobicContact CG2-CD1 4.35Å; I224-H245 HydrophobicContact CG1-CB 4.4Å; I224-V246 PolarHBondContact N-O 3.23Å; I224-V247 HydrophobicContact CB-CG2 4.38Å; I224-V247 CarbonylContact O-C 3.58Å; I224-V247 VanDerWaalsContact O-CA 3.31Å; I224-V247 WeakPolarHBondContact O-CA 3.5Å; I224-T248 PolarHBondContact O-N 3.46Å; I224-C278 PolarHBondContact O-SG 2.88Å; I224-C278 VanDerWaalsContact O-SG 3.33Å; I224-I280 CarbonylContact C-O 3.52Å; I224-I280 WeakPolarHBondContact CA-O 3.49Å; I224-I280 HydrophobicContact CD1-CB 3.88Å; I224-I280 HydrophobicContact CD1-CD1 4.32Å; I224-I280 HydrophobicContact CD1-CG2 4.16Å; I224-F282 HydrophobicContact CD1-CE2 4.43Å; I224-F282 HydrophobicContact CG2-CD2 3.6Å; I224-F282 HydrophobicContact CG2-CE2 3.6Å
225G98.8Very high92.2Very high0 Ų039.5 Ų39.50%024%0.241CC..EExtended strand (participates in β ladder)trans-102.8144.3168.500000110.2T248 C278 I280 T281 F282G225-T248 CarbonylContact C-O 3.56Å; G225-T248 VanDerWaalsContact CA-O 3.3Å; G225-T248 WeakPolarHBondContact CA-O 3.31Å; G225-C278 VanDerWaalsContact CA-SG 3.57Å; G225-C278 PolarHBondContact N-SG 2.99Å; G225-C278 VanDerWaalsContact N-SG 3.43Å; G225-I280 PolarHBondContact N-O 3.12Å; G225-T281 CarbonylContact O-C 3.33Å; G225-T281 WeakPolarHBondContact O-CA 3.47Å; G225-F282 PolarHBondContact O-N 3.12Å
226F98.9Very high94.4Very high0 Ų036.6 Ų36.60%021%0.21CC..EExtended strand (participates in β ladder)trans-137.3123.7175-155.2-78.7000111.7G228 L229 I236 V237 L240 V247 T248 V249 W250 F282 C284 M314F226-G228 WeakPolarHBondContact CE1-O 3.49Å; F226-L229 HydrophobicContact CD1-CD2 4.17Å; F226-I236 HydrophobicContact CD2-CG2 4.37Å; F226-I236 HydrophobicContact CE2-CB 4.07Å; F226-I236 HydrophobicContact CE2-CG2 3.41Å; F226-I236 VanDerWaalsContact CE2-CG2 3.41Å; F226-I236 HydrophobicContact CZ-CB 3.98Å; F226-I236 HydrophobicContact CZ-CD1 4.23Å; F226-I236 HydrophobicContact CZ-CG2 3.83Å; F226-V237 HydrophobicContact CB-CG2 3.69Å; F226-V237 HydrophobicContact CD1-CG2 3.32Å; F226-V237 HydrophobicContact CD2-CG2 3.68Å; F226-V237 HydrophobicContact CE1-CG2 3.83Å; F226-V237 HydrophobicContact CE2-CG2 4.16Å; F226-V237 HydrophobicContact CG-CG2 3.24Å; F226-V237 HydrophobicContact CZ-CG2 4.22Å; F226-L240 HydrophobicContact CD2-CD1 4.12Å; F226-L240 HydrophobicContact CE2-CD1 4.48Å; F226-V247 HydrophobicContact CB-CG1 4.13Å; F226-T248 PolarHBondContact N-O 2.95Å; F226-V249 HydrophobicContact CB-CG1 4.43Å; F226-V249 CarbonylContact O-C 3.51Å; F226-V249 WeakPolarHBondContact O-CA 3.27Å; F226-W250 PolarHBondContact O-N 3.39Å; F226-F282 CarbonylContact C-O 3.5Å; F226-F282 WeakPolarHBondContact CA-O 3.3Å; F226-F282 HydrophobicContact CD2-CB 3.62Å; F226-F282 HydrophobicContact CD2-CD2 4.41Å; F226-F282 HydrophobicContact CD2-CG 4.28Å; F226-F282 HydrophobicContact CE2-CB 3.71Å; F226-F282 HydrophobicContact CE2-CG 4.36Å; F226-F282 HydrophobicContact CG-CB 4.41Å; F226-C284 HydrophobicContact CE1-CB 4.06Å; F226-C284 HydrophobicContact CZ-CB 3.97Å; F226-M314 HydrophobicContact CE2-SD 4.46Å
227L98.8Very high96Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-115.4115.7-175.2-52.5179.5000110.4W250 P271 V274 T281 F282 S283 C284 L294 V301 Y311L227-W250 HydrophobicContact CB-CE3 4.4Å; L227-W250 HydrophobicContact CD2-CB 3.74Å; L227-W250 HydrophobicContact CD2-CD2 4.47Å; L227-W250 HydrophobicContact CD2-CE3 4.14Å; L227-W250 HydrophobicContact CD2-CG 4.36Å; L227-P271 HydrophobicContact CD1-CB 4.1Å; L227-P271 HydrophobicContact CD2-CB 4.43Å; L227-V274 HydrophobicContact CD2-CB 3.86Å; L227-V274 HydrophobicContact CD2-CG1 3.84Å; L227-V274 HydrophobicContact CD2-CG2 3.98Å; L227-T281 HydrophobicContact CD1-CG2 3.74Å; L227-T281 HydrophobicContact CD2-CG2 4.45Å; L227-T281 HydrophobicContact CG-CG2 3.8Å; L227-F282 PolarHBondContact N-O 3.23Å; L227-S283 CarbonylContact O-C 3.46Å; L227-S283 WeakPolarHBondContact O-CA 3.47Å; L227-C284 PolarHBondContact O-N 2.86Å; L227-L294 HydrophobicContact CB-CD1 4.36Å; L227-L294 HydrophobicContact CB-CD2 3.89Å; L227-L294 HydrophobicContact CD1-CD1 4.26Å; L227-L294 HydrophobicContact CD1-CD2 4.03Å; L227-L294 HydrophobicContact CD1-CG 4.22Å; L227-V301 HydrophobicContact CD1-CG2 3.39Å; L227-Y311 HydrophobicContact CD1-CE2 4.3Å
228G98.2Very high97Very high4 Ų432 Ų324%0.04118%0.18CC..  trans101.2103.1178.100000113F226 G230 W250F226-G228 WeakPolarHBondContact CE1-O 3.49Å; G228-G230 PolarHBondContact O-N 3.38Å; G228-W250 PolarHBondContact N-O 2.98Å
229L97.8Very high97.3Very high7 Ų727 Ų274%0.03715%0.149CC..  trans-103.952.1-176.9-57.7174000110.2F226 V237 V249 N251 K256 C257 F260F226-L229 HydrophobicContact CD1-CD2 4.17Å; L229-V237 HydrophobicContact CD2-CB 4.36Å; L229-V237 HydrophobicContact CD2-CG2 3.75Å; L229-V249 HydrophobicContact CD1-CB 4.18Å; L229-V249 HydrophobicContact CD1-CG2 4.36Å; L229-V249 HydrophobicContact CD2-CB 4.37Å; L229-V249 HydrophobicContact CD2-CG1 4.27Å; L229-N251 HydrophobicContact CB-CB 4.03Å; L229-N251 HydrophobicContact CD1-CB 3.87Å; L229-N251 HydrophobicContact CG-CB 3.91Å; L229-N251 PolarHBondContact N-OD1 3.23Å; L229-K256 HydrophobicContact CB-CB 4.22Å; L229-K256 WeakPolarHBondContact O-CD 3.42Å; L229-C257 HydrophobicContact CD1-CB 4.2Å; L229-C257 WeakPolarHBondContact CD1-SG 3.29Å; L229-F260 HydrophobicContact CB-CE2 4.16Å; L229-F260 HydrophobicContact CD1-CD2 3.68Å; L229-F260 HydrophobicContact CD1-CE2 3.77Å; L229-F260 HydrophobicContact CD2-CD2 4.17Å; L229-F260 HydrophobicContact CD2-CE2 3.94Å; L229-F260 HydrophobicContact CD2-CZ 4.42Å; L229-F260 HydrophobicContact CG-CD2 4.44Å; L229-F260 HydrophobicContact CG-CE2 4.17Å
230G95.9Very high97.5Very high29 Ų2925 Ų2530%0.29914%0.135SC..SBendtrans-80.1-161.9177.100000113G228 M232 G233 S234G228-G230 PolarHBondContact O-N 3.38Å; G230-M232 VanDerWaalsContact C-N 3.3Å; G230-M232 PolarHBondContact O-N 3.47Å; G230-G233 PolarHBondContact O-N 2.83Å; G230-S234 WeakPolarHBondContact O-CB 3.27Å; G230-S234 PolarHBondContact O-N 3.15Å; G230-S234 VanDerWaalsContact O-N 3.09Å
231L94.8Very high97.6Very high25 Ų2524.5 Ų24.513%0.13113%0.131CC..Hα-helixtrans-52.9-46.5-179.3-163.276.1000112.3Q345 Y453L231-Q345 HydrophobicContact CD1-CB 4.2Å; L231-Q345 HydrophobicContact CD1-CG 3.99Å; L231-Q345 VanDerWaalsContact CD1-NE2 3.33Å; L231-Q345 HydrophobicContact CD2-CB 4.18Å; L231-Q345 HydrophobicContact CG-CB 3.84Å; L231-Q345 HydrophobicContact CG-CG 3.91Å; L231-Y453 HydrophobicContact CB-CD2 4.39Å; L231-Y453 HydrophobicContact CB-CE2 3.83Å; L231-Y453 HydrophobicContact CD1-CE2 4.05Å; L231-Y453 HydrophobicContact CD2-CD2 3.94Å; L231-Y453 HydrophobicContact CD2-CE2 3.91Å; L231-Y453 HydrophobicContact CG-CE2 4.16Å
232M96.1Very high97.6Very high23 Ų2323.3 Ų23.311%0.11312%0.118CC..Hα-helixtrans-84-49.2178.4-58.8-60.4-74.200111.9G230 S234 G235 I236 V341 S348 L353G230-M232 VanDerWaalsContact C-N 3.3Å; G230-M232 PolarHBondContact O-N 3.47Å; M232-S234 PolarHBondContact O-N 3.04Å; M232-S234 VanDerWaalsContact O-N 3.08Å; M232-G235 PolarHBondContact O-N 3.12Å; M232-G235 VanDerWaalsContact O-N 3.1Å; M232-I236 HydrophobicContact CB-CD1 4.48Å; M232-I236 WeakPolarHBondContact O-CG1 3.42Å; M232-I236 PolarHBondContact O-N 3.08Å; M232-V341 HydrophobicContact CE-CG2 3.91Å; M232-S348 PolarHBondContact O-OG 3.11Å; M232-L353 HydrophobicContact CE-CD1 4.15Å; M232-L353 HydrophobicContact CE-CD2 3.49Å; M232-L353 VanDerWaalsContact CE-CD2 3.49Å; M232-L353 HydrophobicContact CE-CG 4.49Å
233G97.6Very high97.4Very high0 Ų022 Ų220%011%0.114CC..Hα-helixtrans-54.6-35.1-175.500000114G230 I236 V237G230-G233 PolarHBondContact O-N 2.83Å; G233-I236 PolarHBondContact O-N 3.21Å; G233-V237 WeakPolarHBondContact O-CG2 3.45Å; G233-V237 PolarHBondContact O-N 2.9Å
234S97.6Very high97.3Very high35 Ų3519.3 Ų19.325%0.24512%0.118CC..Hα-helixtrans-57.9-52.3176.1-179.40000112.9G230 M232 I236 V237 S238 F260G230-S234 WeakPolarHBondContact O-CB 3.27Å; G230-S234 PolarHBondContact O-N 3.15Å; G230-S234 VanDerWaalsContact O-N 3.09Å; M232-S234 PolarHBondContact O-N 3.04Å; M232-S234 VanDerWaalsContact O-N 3.08Å; S234-I236 VanDerWaalsContact C-N 3.34Å; S234-I236 PolarHBondContact O-N 3.29Å; S234-V237 PolarHBondContact O-N 2.81Å; S234-S238 PolarHBondContact O-N 2.67Å; S234-S238 VanDerWaalsContact O-N 3.14Å; S234-F260 WeakPolarHBondContact O-CE1 3.39Å; S234-F260 WeakPolarHBondContact OG-CZ 3.5Å
235G97.6Very high97.3Very high1 Ų119.6 Ų19.61%0.0112%0.12CC..Hα-helixtrans-66.6-38.3-179.100000112M232 N239 S348 N349M232-G235 PolarHBondContact O-N 3.12Å; M232-G235 VanDerWaalsContact O-N 3.1Å; G235-N239 PolarHBondContact O-N 3.1Å; G235-N239 VanDerWaalsContact O-N 3.1Å; G235-N239 PolarHBondContact O-ND2 3.33Å; G235-S348 CarbonylContact C-O 3.45Å; G235-N349 WeakPolarHBondContact CA-OD1 3.38Å
236I98.4Very high97.2Very high0 Ų023 Ų230%014%0.141CC..Hα-helixtrans-60.7-49.5177.1-62.9168.2000110.8F226 M232 G233 S234 N239 L240 M314 S348 L353 M374F226-I236 HydrophobicContact CD2-CG2 4.37Å; F226-I236 HydrophobicContact CE2-CB 4.07Å; F226-I236 HydrophobicContact CE2-CG2 3.41Å; F226-I236 VanDerWaalsContact CE2-CG2 3.41Å; F226-I236 HydrophobicContact CZ-CB 3.98Å; F226-I236 HydrophobicContact CZ-CD1 4.23Å; F226-I236 HydrophobicContact CZ-CG2 3.83Å; M232-I236 HydrophobicContact CB-CD1 4.48Å; M232-I236 WeakPolarHBondContact O-CG1 3.42Å; M232-I236 PolarHBondContact O-N 3.08Å; G233-I236 PolarHBondContact O-N 3.21Å; S234-I236 VanDerWaalsContact C-N 3.34Å; S234-I236 PolarHBondContact O-N 3.29Å; I236-N239 PolarHBondContact O-N 3.24Å; I236-L240 HydrophobicContact CG2-CD1 4.15Å; I236-L240 WeakPolarHBondContact O-CG 3.42Å; I236-L240 PolarHBondContact O-N 3.1Å; I236-M314 HydrophobicContact CD1-CE 4.33Å; I236-M314 HydrophobicContact CD1-SD 4.38Å; I236-S348 PolarHBondContact N-OG 3.31Å; I236-L353 HydrophobicContact CD1-CD1 4.06Å; I236-L353 HydrophobicContact CG1-CD1 3.84Å; I236-M374 HydrophobicContact CG1-CB 4.41Å; I236-M374 HydrophobicContact CG2-CB 3.92Å; I236-M374 HydrophobicContact CG2-CE 3.59Å; I236-M374 HydrophobicContact CG2-CG 4.43Å; I236-M374 HydrophobicContact CG2-SD 3.7Å
237V98.6Very high97.2Very high0 Ų023.1 Ų23.10%014%0.141CC..Hα-helixtrans-63.6-46-179.1170.30000111.9F226 L229 G233 S234 N239 L240 L241 V247 V249 F260F226-V237 HydrophobicContact CB-CG2 3.69Å; F226-V237 HydrophobicContact CD1-CG2 3.32Å; F226-V237 HydrophobicContact CD2-CG2 3.68Å; F226-V237 HydrophobicContact CE1-CG2 3.83Å; F226-V237 HydrophobicContact CE2-CG2 4.16Å; F226-V237 HydrophobicContact CG-CG2 3.24Å; F226-V237 HydrophobicContact CZ-CG2 4.22Å; L229-V237 HydrophobicContact CD2-CB 4.36Å; L229-V237 HydrophobicContact CD2-CG2 3.75Å; G233-V237 WeakPolarHBondContact O-CG2 3.45Å; G233-V237 PolarHBondContact O-N 2.9Å; S234-V237 PolarHBondContact O-N 2.81Å; V237-N239 PolarHBondContact O-N 2.93Å; V237-L240 PolarHBondContact O-N 3.36Å; V237-L240 VanDerWaalsContact O-N 3.14Å; V237-L241 HydrophobicContact CG1-CD1 3.86Å; V237-L241 HydrophobicContact CG1-CG 4.34Å; V237-L241 WeakPolarHBondContact O-CG 3.26Å; V237-L241 PolarHBondContact O-N 3.09Å; V237-V247 HydrophobicContact CG1-CG1 4.43Å; V237-V249 HydrophobicContact CG1-CG1 3.7Å; V237-V249 HydrophobicContact CG2-CG1 4.28Å; V237-F260 HydrophobicContact CB-CD1 4.05Å; V237-F260 HydrophobicContact CB-CE1 4Å; V237-F260 HydrophobicContact CG1-CB 4.24Å; V237-F260 HydrophobicContact CG1-CD1 3.41Å; V237-F260 VanDerWaalsContact CG1-CD1 3.41Å; V237-F260 HydrophobicContact CG1-CE1 3.9Å; V237-F260 HydrophobicContact CG1-CG 3.84Å
238S97.9Very high97.2Very high16 Ų1623.4 Ų23.411%0.11214%0.143CC..Hα-helixtrans-59-37177.3-73.70000111.8S234 K242 F260 E263S234-S238 PolarHBondContact O-N 2.67Å; S234-S238 VanDerWaalsContact O-N 3.14Å; S238-K242 WeakPolarHBondContact O-CB 3.41Å; S238-K242 WeakPolarHBondContact O-CD 3.37Å; S238-K242 WeakPolarHBondContact O-CG 3.33Å; S238-K242 PolarHBondContact O-N 2.95Å; S238-F260 WeakPolarHBondContact OG-CE1 3.48Å; S238-E263 PolarHBondContact OG-OE2 2.83Å
239N97.4Very high97.3Very high17 Ų1723.2 Ų23.29%0.09114%0.141CC..Hα-helixtrans-70.2-39176.3-76.6-45.3000112.8G235 I236 V237 L241 K242 M243 S348 N349 G351 A373G235-N239 PolarHBondContact O-N 3.1Å; G235-N239 VanDerWaalsContact O-N 3.1Å; G235-N239 PolarHBondContact O-ND2 3.33Å; I236-N239 PolarHBondContact O-N 3.24Å; V237-N239 PolarHBondContact O-N 2.93Å; N239-L241 PolarHBondContact O-N 3.36Å; N239-K242 PolarHBondContact O-N 3Å; N239-M243 WeakPolarHBondContact O-CG 3.46Å; N239-M243 PolarHBondContact O-N 3.27Å; N239-S348 PolarHBondContact ND2-O 3.34Å; N239-N349 PolarHBondContact ND2-O 3.37Å; N239-N349 PolarHBondContact OD1-O 3.35Å; N239-G351 PolarHBondContact ND2-N 3.29Å; N239-A373 WeakPolarHBondContact CB-O 3.36Å
240L97.7Very high97.3Very high0 Ų025.1 Ų25.10%015%0.148CC..Hα-helixtrans-60.2-45.7172.8-68.9171.1000111.6I224 F226 I236 V237 M243 G244 H245 V247 C370 A373 M374I224-L240 HydrophobicContact CG2-CD1 4.35Å; F226-L240 HydrophobicContact CD2-CD1 4.12Å; F226-L240 HydrophobicContact CE2-CD1 4.48Å; I236-L240 HydrophobicContact CG2-CD1 4.15Å; I236-L240 WeakPolarHBondContact O-CG 3.42Å; I236-L240 PolarHBondContact O-N 3.1Å; V237-L240 PolarHBondContact O-N 3.36Å; V237-L240 VanDerWaalsContact O-N 3.14Å; L240-M243 PolarHBondContact O-N 3.24Å; L240-G244 PolarHBondContact O-N 3.26Å; L240-H245 HydrophobicContact CB-CB 4.35Å; L240-H245 WeakPolarHBondContact O-CB 3.47Å; L240-H245 PolarHBondContact O-CD2 3.31Å; L240-H245 VanDerWaalsContact O-CD2 3.3Å; L240-H245 PolarHBondContact O-N 3.35Å; L240-V247 HydrophobicContact CB-CG2 3.86Å; L240-C370 HydrophobicContact CD2-CB 3.72Å; L240-A373 HydrophobicContact CD2-CB 4.21Å; L240-M374 HydrophobicContact CD1-CE 4.2Å; L240-M374 HydrophobicContact CD2-CE 3.99Å; L240-M374 HydrophobicContact CG-CE 4.31Å
241L97.6Very high97.4Very high22 Ų2224.8 Ų24.812%0.11514%0.139CC..Hα-helixtrans-63.7-46.6177.6-69.3169000111.9V237 N239 M243 G244 V247 F260 E263 A265V237-L241 HydrophobicContact CG1-CD1 3.86Å; V237-L241 HydrophobicContact CG1-CG 4.34Å; V237-L241 WeakPolarHBondContact O-CG 3.26Å; V237-L241 PolarHBondContact O-N 3.09Å; N239-L241 PolarHBondContact O-N 3.36Å; L241-M243 PolarHBondContact O-N 2.9Å; L241-G244 PolarHBondContact O-N 2.82Å; L241-V247 HydrophobicContact CD2-CB 3.86Å; L241-V247 HydrophobicContact CD2-CG2 3.87Å; L241-V247 HydrophobicContact CG-CB 4.41Å; L241-V247 HydrophobicContact CG-CG2 4.2Å; L241-F260 HydrophobicContact CD1-CB 4.19Å; L241-F260 HydrophobicContact CD1-CD1 4.23Å; L241-E263 HydrophobicContact CD1-CB 3.72Å; L241-A265 HydrophobicContact CD1-CB 4.04Å; L241-A265 HydrophobicContact CD2-CB 4.1Å
242K95.3Very high97.5Very high141 Ų14132.8 Ų32.861%0.61317%0.167SC*.Hα-helixtrans-59.5-33.8178-76.3168.9-172.9171.90113.1S238 N239 G244S238-K242 WeakPolarHBondContact O-CB 3.41Å; S238-K242 WeakPolarHBondContact O-CD 3.37Å; S238-K242 WeakPolarHBondContact O-CG 3.33Å; S238-K242 PolarHBondContact O-N 2.95Å; N239-K242 PolarHBondContact O-N 3Å; K242-G244 PolarHBondContact O-N 3.26Å
243M94.7Very high97.5Very high37 Ų3734.7 Ų34.718%0.18218%0.18CC..THydrogen-bonded Turntrans-84.36.8176.2-62-47.2-59.800113.5I217 N239 L240 L241 A373I217-M243 HydrophobicContact CB-CE 3.67Å; I217-M243 HydrophobicContact CD1-CE 3.84Å; I217-M243 HydrophobicContact CD1-CG 4.3Å; I217-M243 HydrophobicContact CG1-CE 3.82Å; N239-M243 WeakPolarHBondContact O-CG 3.46Å; N239-M243 PolarHBondContact O-N 3.27Å; L240-M243 PolarHBondContact O-N 3.24Å; L241-M243 PolarHBondContact O-N 2.9Å; M243-A373 HydrophobicContact CB-CB 3.92Å; M243-A373 HydrophobicContact CG-CB 3.6Å
244G95.5Very high97.3Very high48 Ų4837.5 Ų37.550%0.49520%0.204SC..THydrogen-bonded Turntrans86.914.1170.800000115.1L240 L241 K242L240-G244 PolarHBondContact O-N 3.26Å; L241-G244 PolarHBondContact O-N 2.82Å; K242-G244 PolarHBondContact O-N 3.26Å
245H97.8Very high97.3Very high6 Ų642 Ų423%0.02822%0.221CC..  trans-72.8144.1174.8-66.6-85.1000111.7I224 L240 V247 S369I224-H245 HydrophobicContact CG1-CB 4.4Å; L240-H245 HydrophobicContact CB-CB 4.35Å; L240-H245 WeakPolarHBondContact O-CB 3.47Å; L240-H245 PolarHBondContact O-CD2 3.31Å; L240-H245 VanDerWaalsContact O-CD2 3.3Å; L240-H245 PolarHBondContact O-N 3.35Å; H245-V247 HydrophobicContact CB-CG2 4.1Å; H245-V247 PolarHBondContact O-N 3.07Å; H245-S369 PolarHBondContact CE1-OG 2.87Å
246V98.2Very high97.2Very high73 Ų7346.9 Ų46.944%0.44224%0.242SC..  trans-83.1104.4172-178.60000109.1I224I224-V246 PolarHBondContact N-O 3.23Å
247V98.8Very high97.1Very high1 Ų146.9 Ų46.91%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-109.4133.4-174.6-169.50000111.6I224 F226 V237 L240 L241 H245 V249 A265 R266I224-V247 HydrophobicContact CB-CG2 4.38Å; I224-V247 CarbonylContact O-C 3.58Å; I224-V247 VanDerWaalsContact O-CA 3.31Å; I224-V247 WeakPolarHBondContact O-CA 3.5Å; F226-V247 HydrophobicContact CB-CG1 4.13Å; V237-V247 HydrophobicContact CG1-CG1 4.43Å; L240-V247 HydrophobicContact CB-CG2 3.86Å; L241-V247 HydrophobicContact CD2-CB 3.86Å; L241-V247 HydrophobicContact CD2-CG2 3.87Å; L241-V247 HydrophobicContact CG-CB 4.41Å; L241-V247 HydrophobicContact CG-CG2 4.2Å; H245-V247 HydrophobicContact CB-CG2 4.1Å; H245-V247 PolarHBondContact O-N 3.07Å; V247-V249 HydrophobicContact CG1-CG1 3.92Å; V247-A265 WeakPolarHBondContact O-CA 3.45Å; V247-R266 PolarHBondContact O-N 3.1Å
248T98.9Very high97Very high7 Ų751 Ų514%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-108.2121.2164.4-540000109I224 G225 F226 R266 V274 M277I224-T248 PolarHBondContact O-N 3.46Å; G225-T248 CarbonylContact C-O 3.56Å; G225-T248 VanDerWaalsContact CA-O 3.3Å; G225-T248 WeakPolarHBondContact CA-O 3.31Å; F226-T248 PolarHBondContact N-O 2.95Å; T248-R266 CarbonylContact C-O 3.39Å; T248-R266 VanDerWaalsContact CA-O 3.25Å; T248-R266 WeakPolarHBondContact CA-O 3.4Å; T248-R266 HydrophobicContact CG2-CB 4.11Å; T248-V274 HydrophobicContact CG2-CG2 4.12Å; T248-M277 HydrophobicContact CG2-CE 3.85Å
249V98.8Very high96.8Very high0 Ų055.5 Ų55.50%029%0.286CS..EExtended strand (participates in β ladder)trans-103.1150.3-177.4-620000111.6F226 L229 V237 V247 C257 F260 A265 R266 G268F226-V249 HydrophobicContact CB-CG1 4.43Å; F226-V249 CarbonylContact O-C 3.51Å; F226-V249 WeakPolarHBondContact O-CA 3.27Å; L229-V249 HydrophobicContact CD1-CB 4.18Å; L229-V249 HydrophobicContact CD1-CG2 4.36Å; L229-V249 HydrophobicContact CD2-CB 4.37Å; L229-V249 HydrophobicContact CD2-CG1 4.27Å; V237-V249 HydrophobicContact CG1-CG1 3.7Å; V237-V249 HydrophobicContact CG2-CG1 4.28Å; V247-V249 HydrophobicContact CG1-CG1 3.92Å; V249-C257 HydrophobicContact CG2-CB 4.12Å; V249-F260 HydrophobicContact CG1-CB 4.42Å; V249-F260 HydrophobicContact CG2-CB 4.42Å; V249-A265 HydrophobicContact CG1-CB 4Å; V249-A265 HydrophobicContact CG2-CB 4.11Å; V249-R266 PolarHBondContact N-O 3.26Å; V249-G268 PolarHBondContact O-N 2.97Å
250W98.8Very high96.9Very high47 Ų4754.9 Ų54.918%0.17828%0.283CS..EExtended strand (participates in β ladder)trans-142.6144.2164.6173.993.7000109.9F226 L227 G228 R252 R269 P271 V274 L294F226-W250 PolarHBondContact O-N 3.39Å; L227-W250 HydrophobicContact CB-CE3 4.4Å; L227-W250 HydrophobicContact CD2-CB 3.74Å; L227-W250 HydrophobicContact CD2-CD2 4.47Å; L227-W250 HydrophobicContact CD2-CE3 4.14Å; L227-W250 HydrophobicContact CD2-CG 4.36Å; G228-W250 PolarHBondContact N-O 2.98Å; W250-R252 HydrophobicContact CH2-CB 3.99Å; W250-R252 HydrophobicContact CZ2-CB 4.4Å; W250-R269 PolarHBondContact NE1-O 3.1Å; W250-R269 VanDerWaalsContact NE1-O 3.13Å; W250-P271 HydrophobicContact CD2-CG 3.92Å; W250-P271 HydrophobicContact CE3-CG 3.92Å; W250-P271 HydrophobicContact CH2-CG 3.78Å; W250-P271 HydrophobicContact CZ2-CG 3.79Å; W250-P271 HydrophobicContact CZ3-CG 3.87Å; W250-V274 HydrophobicContact CB-CG2 3.79Å; W250-L294 HydrophobicContact CE3-CD1 4.08Å; W250-L294 HydrophobicContact CH2-CD1 3.99Å; W250-L294 HydrophobicContact CZ3-CD1 3.4Å; W250-L294 VanDerWaalsContact CZ3-CD1 3.4Å
251N98.4Very high96.8Very high21 Ų2158.2 Ų58.211%0.11230%0.3CS..  trans-144.5147.7170.1-172.869.6000109.6L229 T253 K256L229-N251 HydrophobicContact CB-CB 4.03Å; L229-N251 HydrophobicContact CD1-CB 3.87Å; L229-N251 HydrophobicContact CG-CB 3.91Å; L229-N251 PolarHBondContact N-OD1 3.23Å; N251-T253 PolarHBondContact ND2-N 3.49Å; N251-T253 VanDerWaalsContact ND2-N 3.1Å; N251-T253 PolarHBondContact ND2-O 3.09Å; N251-T253 PolarHBondContact O-N 3.06Å; N251-K256 HydrophobicContact CB-CB 4.49Å
252R96Very high96.7Very high193 Ų19364.9 Ų64.973%0.72833%0.33SS*.SBendtrans-56-38.4178.4-176.5172.865.8-159.70.1112.8W250W250-R252 HydrophobicContact CH2-CB 3.99Å; W250-R252 HydrophobicContact CZ2-CB 4.4Å
253T96Very high96.7Very high63 Ų6362.5 Ų62.539%0.38732%0.321SS..SBendtrans-95.1104.1172.3-550000107.4N251 E255 K256N251-T253 PolarHBondContact ND2-N 3.49Å; N251-T253 VanDerWaalsContact ND2-N 3.1Å; N251-T253 PolarHBondContact ND2-O 3.09Å; N251-T253 PolarHBondContact O-N 3.06Å; T253-E255 VanDerWaalsContact C-N 3.27Å; T253-E255 WeakPolarHBondContact CG2-OE2 3.45Å; T253-E255 PolarHBondContact O-N 3.4Å; T253-K256 HydrophobicContact CG2-CG 4.27Å; T253-K256 PolarHBondContact O-N 3.46Å
254A94.1Very high96.8Very high59 Ų5963.5 Ų63.549%0.48834%0.341SS..G310 helixtrans-63.1-32.6-168.700000112.7K256 C257A254-K256 PolarHBondContact O-N 3.01Å; A254-C257 VanDerWaalsContact O-CB 3.26Å; A254-C257 WeakPolarHBondContact O-CB 3.17Å; A254-C257 PolarHBondContact O-N 3.31Å
255E96.1Very high96.9Very high131 Ų13161.5 Ų61.561%0.61232%0.32SS*.G310 helixtrans-61.3-22.3-178.9-55.486.2175.600112.4T253 C257 D258T253-E255 VanDerWaalsContact C-N 3.27Å; T253-E255 WeakPolarHBondContact CG2-OE2 3.45Å; T253-E255 PolarHBondContact O-N 3.4Å; E255-C257 PolarHBondContact O-N 2.86Å; E255-D258 PolarHBondContact O-N 2.95Å
256K96.1Very high96.9Very high102 Ų10268.8 Ų68.844%0.44335%0.347SS..G310 helixtrans-69.3-15.7174.8-61.8-160.9-176.9-176.30113.3L229 N251 T253 A254 F260L229-K256 HydrophobicContact CB-CB 4.22Å; L229-K256 WeakPolarHBondContact O-CD 3.42Å; N251-K256 HydrophobicContact CB-CB 4.49Å; T253-K256 HydrophobicContact CG2-CG 4.27Å; T253-K256 PolarHBondContact O-N 3.46Å; A254-K256 PolarHBondContact O-N 3.01Å; K256-F260 WeakPolarHBondContact O-CD2 3.47Å; K256-F260 VanDerWaalsContact O-CE2 3.29Å; K256-F260 WeakPolarHBondContact O-CE2 3.46Å
257C97Very high96.9Very high1 Ų169.8 Ų69.81%0.00735%0.35CS..G310 helixtrans-80.4-22.6178.6-63.50000112.8L229 V249 A254 E255 L259 F260 I261 L267L229-C257 HydrophobicContact CD1-CB 4.2Å; L229-C257 WeakPolarHBondContact CD1-SG 3.29Å; V249-C257 HydrophobicContact CG2-CB 4.12Å; A254-C257 VanDerWaalsContact O-CB 3.26Å; A254-C257 WeakPolarHBondContact O-CB 3.17Å; A254-C257 PolarHBondContact O-N 3.31Å; E255-C257 PolarHBondContact O-N 2.86Å; C257-L259 VanDerWaalsContact C-N 3.3Å; C257-L259 PolarHBondContact O-N 3.46Å; C257-F260 PolarHBondContact O-N 3.05Å; C257-I261 HydrophobicContact CB-CD1 4.3Å; C257-I261 WeakPolarHBondContact O-CG1 3.49Å; C257-I261 PolarHBondContact O-N 3.22Å; C257-L267 HydrophobicContact CB-CD1 3.69Å
258D96Very high96.9Very high85 Ų8569.8 Ų69.846%0.45535%0.35SS..Hα-helixtrans-57.1-41.2-169.5-67.3-13.9000113.1E255 F260 I261 Q262E255-D258 PolarHBondContact O-N 2.95Å; D258-F260 VanDerWaalsContact C-N 3.29Å; D258-F260 PolarHBondContact O-N 3.48Å; D258-I261 PolarHBondContact O-N 3.26Å; D258-Q262 WeakPolarHBondContact O-CG 3.18Å; D258-Q262 PolarHBondContact O-N 3.21Å
259L94.8Very high96.8Very high111 Ų11179.2 Ų79.258%0.58139%0.385SS*.Hα-helixtrans-58.7-41.3177.1-67.3173.8000111.9C257 Q262 E263C257-L259 VanDerWaalsContact C-N 3.3Å; C257-L259 PolarHBondContact O-N 3.46Å; L259-Q262 PolarHBondContact O-N 3.05Å; L259-E263 PolarHBondContact O-N 3.44Å
260F97.6Very high96.8Very high5 Ų581.2 Ų81.22%0.02240%0.397CS..Hα-helixtrans-80.8-28.6-176.3-53.2-74.3000112.4L229 S234 V237 S238 L241 V249 K256 C257 D258 Q262 E263 G264 A265L229-F260 HydrophobicContact CB-CE2 4.16Å; L229-F260 HydrophobicContact CD1-CD2 3.68Å; L229-F260 HydrophobicContact CD1-CE2 3.77Å; L229-F260 HydrophobicContact CD2-CD2 4.17Å; L229-F260 HydrophobicContact CD2-CE2 3.94Å; L229-F260 HydrophobicContact CD2-CZ 4.42Å; L229-F260 HydrophobicContact CG-CD2 4.44Å; L229-F260 HydrophobicContact CG-CE2 4.17Å; S234-F260 WeakPolarHBondContact O-CE1 3.39Å; S234-F260 WeakPolarHBondContact OG-CZ 3.5Å; V237-F260 HydrophobicContact CB-CD1 4.05Å; V237-F260 HydrophobicContact CB-CE1 4Å; V237-F260 HydrophobicContact CG1-CB 4.24Å; V237-F260 HydrophobicContact CG1-CD1 3.41Å; V237-F260 VanDerWaalsContact CG1-CD1 3.41Å; V237-F260 HydrophobicContact CG1-CE1 3.9Å; V237-F260 HydrophobicContact CG1-CG 3.84Å; S238-F260 WeakPolarHBondContact OG-CE1 3.48Å; L241-F260 HydrophobicContact CD1-CB 4.19Å; L241-F260 HydrophobicContact CD1-CD1 4.23Å; V249-F260 HydrophobicContact CG1-CB 4.42Å; V249-F260 HydrophobicContact CG2-CB 4.42Å; K256-F260 WeakPolarHBondContact O-CD2 3.47Å; K256-F260 VanDerWaalsContact O-CE2 3.29Å; K256-F260 WeakPolarHBondContact O-CE2 3.46Å; C257-F260 PolarHBondContact O-N 3.05Å; D258-F260 VanDerWaalsContact C-N 3.29Å; D258-F260 PolarHBondContact O-N 3.48Å; F260-Q262 VanDerWaalsContact C-N 3.25Å; F260-Q262 PolarHBondContact O-N 3.42Å; F260-E263 CarbonylContact O-C 3.45Å; F260-E263 WeakPolarHBondContact O-CA 3.35Å; F260-E263 PolarHBondContact O-N 3.18Å; F260-E263 VanDerWaalsContact O-N 3.1Å; F260-G264 PolarHBondContact O-N 3.41Å; F260-G264 VanDerWaalsContact O-N 3.09Å; F260-A265 HydrophobicContact CB-CB 3.82Å; F260-A265 WeakPolarHBondContact O-CB 3.3Å; F260-A265 PolarHBondContact O-N 2.99Å
261I97.2Very high96.8Very high70 Ų7079.5 Ų79.536%0.35939%0.392SS..Hα-helixtrans-61.3-41.2171.9-65.1167.9000109.6C257 D258 E263 G264 L267C257-I261 HydrophobicContact CB-CD1 4.3Å; C257-I261 WeakPolarHBondContact O-CG1 3.49Å; C257-I261 PolarHBondContact O-N 3.22Å; D258-I261 PolarHBondContact O-N 3.26Å; I261-E263 VanDerWaalsContact C-N 3.27Å; I261-E263 PolarHBondContact O-N 3.47Å; I261-G264 PolarHBondContact O-N 3.45Å; I261-L267 HydrophobicContact CD1-CB 4.04Å; I261-L267 HydrophobicContact CD1-CD2 4.18Å; I261-L267 HydrophobicContact CD1-CG 4.49Å; I261-L267 HydrophobicContact CG1-CB 4.45Å
262Q95.5Very high96.8Very high161 Ų16179.1 Ų79.175%0.75239%0.392SS*.Hα-helixtrans-64-32.5173.7-64.4171.724.900112.3D258 L259 F260 G264D258-Q262 WeakPolarHBondContact O-CG 3.18Å; D258-Q262 PolarHBondContact O-N 3.21Å; L259-Q262 PolarHBondContact O-N 3.05Å; F260-Q262 VanDerWaalsContact C-N 3.25Å; F260-Q262 PolarHBondContact O-N 3.42Å; Q262-G264 PolarHBondContact O-N 3.09Å
263E95.1Very high96.9Very high91 Ų9172.7 Ų72.743%0.42537%0.37SS..THydrogen-bonded Turntrans-79.82.3173.4-66-174.9163.500113.8S238 L241 L259 F260 I261S238-E263 PolarHBondContact OG-OE2 2.83Å; L241-E263 HydrophobicContact CD1-CB 3.72Å; L259-E263 PolarHBondContact O-N 3.44Å; F260-E263 CarbonylContact O-C 3.45Å; F260-E263 WeakPolarHBondContact O-CA 3.35Å; F260-E263 PolarHBondContact O-N 3.18Å; F260-E263 VanDerWaalsContact O-N 3.1Å; I261-E263 VanDerWaalsContact C-N 3.27Å; I261-E263 PolarHBondContact O-N 3.47Å
264G96.4Very high97.1Very high58 Ų5869.7 Ų69.760%0.59835%0.352SS*.THydrogen-bonded Turntrans97.97.6175.100000115.6F260 I261 Q262F260-G264 PolarHBondContact O-N 3.41Å; F260-G264 VanDerWaalsContact O-N 3.09Å; I261-G264 PolarHBondContact O-N 3.45Å; Q262-G264 PolarHBondContact O-N 3.09Å
265A98.1Very high97.3Very high7 Ų766.9 Ų66.96%0.05833%0.329CS..PPolyproline II helixtrans-69.1148.7171.800000111.9L241 V247 V249 F260L241-A265 HydrophobicContact CD1-CB 4.04Å; L241-A265 HydrophobicContact CD2-CB 4.1Å; V247-A265 WeakPolarHBondContact O-CA 3.45Å; V249-A265 HydrophobicContact CG1-CB 4Å; V249-A265 HydrophobicContact CG2-CB 4.11Å; F260-A265 HydrophobicContact CB-CB 3.82Å; F260-A265 WeakPolarHBondContact O-CB 3.3Å; F260-A265 PolarHBondContact O-N 2.99Å
266R98.2Very high97.4Very high159 Ų15963.9 Ų63.960%0.632%0.322SS*.EExtended strand (participates in β ladder)trans-86.6148.4167.8-61.5-179.1-178.3-165.2-0.2109.8V247 T248 V249V247-R266 PolarHBondContact O-N 3.1Å; T248-R266 CarbonylContact C-O 3.39Å; T248-R266 VanDerWaalsContact CA-O 3.25Å; T248-R266 WeakPolarHBondContact CA-O 3.4Å; T248-R266 HydrophobicContact CG2-CB 4.11Å; V249-R266 PolarHBondContact N-O 3.26Å
267L98.1Very high97.5Very high93 Ų9362.5 Ų62.549%0.48732%0.318SS..EExtended strand (participates in β ladder)trans-95.3122.8174.5-178.763.2000110.2C257 I261C257-L267 HydrophobicContact CB-CD1 3.69Å; I261-L267 HydrophobicContact CD1-CB 4.04Å; I261-L267 HydrophobicContact CD1-CD2 4.18Å; I261-L267 HydrophobicContact CD1-CG 4.49Å; I261-L267 HydrophobicContact CG1-CB 4.45Å
268G97.8Very high97.5Very high2 Ų262.4 Ų62.42%0.02132%0.318CS..PPolyproline II helixtrans-89147.2163.300000110.6V249V249-G268 PolarHBondContact O-N 2.97Å
269R97Very high97.7Very high204 Ų20460.4 Ų60.477%0.7731%0.307SS*.SBendtrans-87.5-30.8-179.2-51.3166.9172.1174.6-2.2111.8W250 E273W250-R269 PolarHBondContact NE1-O 3.1Å; W250-R269 VanDerWaalsContact NE1-O 3.13Å; R269-E273 WeakPolarHBondContact CA-OE2 3.38Å; R269-E273 WeakPolarHBondContact CB-OE2 3.4Å; R269-E273 VanDerWaalsContact CG-OE2 3.26Å; R269-E273 WeakPolarHBondContact CG-OE2 3.29Å; R269-E273 PolarHBondContact N-OE2 2.93Å
270T98.7Very high97.8Very high43 Ų4355.1 Ų55.126%0.26428%0.279SS..SBendtrans-140.4157.5178.465.70000111.9A272 E273 V274T270-A272 VanDerWaalsContact C-N 3.28Å; T270-A272 PolarHBondContact O-N 2.93Å; T270-E273 WeakPolarHBondContact O-CB 2.97Å; T270-E273 PolarHBondContact O-N 3.38Å; T270-E273 VanDerWaalsContact O-N 3.15Å; T270-E273 WeakPolarHBondContact OG1-CB 3.27Å; T270-E273 PolarHBondContact OG1-N 3.33Å; T270-V274 PolarHBondContact O-N 2.91Å; T270-V274 VanDerWaalsContact O-N 3.1Å
271P98.8Very high97.9Very high11 Ų1155 Ų557%0.07128%0.279CS..Hα-helixtrans-55.1-40.8172.4-26.535.6000113.3L227 W250 E273 V274 A275 L294 S299 V301L227-P271 HydrophobicContact CD1-CB 4.1Å; L227-P271 HydrophobicContact CD2-CB 4.43Å; W250-P271 HydrophobicContact CD2-CG 3.92Å; W250-P271 HydrophobicContact CE3-CG 3.92Å; W250-P271 HydrophobicContact CH2-CG 3.78Å; W250-P271 HydrophobicContact CZ2-CG 3.79Å; W250-P271 HydrophobicContact CZ3-CG 3.87Å; P271-E273 VanDerWaalsContact C-N 3.34Å; P271-E273 PolarHBondContact O-N 2.97Å; P271-V274 PolarHBondContact O-N 3.17Å; P271-A275 WeakPolarHBondContact O-CB 3.47Å; P271-A275 PolarHBondContact O-N 2.92Å; P271-L294 HydrophobicContact CB-CD1 3.95Å; P271-L294 HydrophobicContact CG-CD1 3.56Å; P271-S299 WeakPolarHBondContact CD-O 3.37Å; P271-V301 HydrophobicContact CB-CG2 3.98Å
272A98.8Very high98Very high12 Ų1251.7 Ų51.710%0.09926%0.262CS..Hα-helixtrans-58.8-44175.500000112.4T270 A275 S276 S299 G300 Q303 G304T270-A272 VanDerWaalsContact C-N 3.28Å; T270-A272 PolarHBondContact O-N 2.93Å; A272-A275 PolarHBondContact O-N 3.43Å; A272-S276 WeakPolarHBondContact O-CB 3.28Å; A272-S276 PolarHBondContact O-N 2.86Å; A272-S299 VanDerWaalsContact CB-O 3.28Å; A272-S299 WeakPolarHBondContact CB-O 3.48Å; A272-S299 PolarHBondContact N-O 2.86Å; A272-G300 WeakPolarHBondContact CB-O 3.44Å; A272-Q303 HydrophobicContact CB-CB 3.96Å; A272-G304 WeakPolarHBondContact O-CA 3.34Å
273E98.6Very high98.1Very high58 Ų5844 Ų4427%0.27123%0.226SC..Hα-helixtrans-65-45.9179.5-168.1-172.8-172.600111.1R269 T270 P271 A275 S276 M277R269-E273 WeakPolarHBondContact CA-OE2 3.38Å; R269-E273 WeakPolarHBondContact CB-OE2 3.4Å; R269-E273 VanDerWaalsContact CG-OE2 3.26Å; R269-E273 WeakPolarHBondContact CG-OE2 3.29Å; R269-E273 PolarHBondContact N-OE2 2.93Å; T270-E273 WeakPolarHBondContact O-CB 2.97Å; T270-E273 PolarHBondContact O-N 3.38Å; T270-E273 VanDerWaalsContact O-N 3.15Å; T270-E273 WeakPolarHBondContact OG1-CB 3.27Å; T270-E273 PolarHBondContact OG1-N 3.33Å; P271-E273 VanDerWaalsContact C-N 3.34Å; P271-E273 PolarHBondContact O-N 2.97Å; E273-A275 PolarHBondContact O-N 3.13Å; E273-S276 PolarHBondContact O-N 2.74Å; E273-M277 HydrophobicContact CG-CE 3.8Å; E273-M277 HydrophobicContact CG-SD 4.09Å; E273-M277 WeakPolarHBondContact O-CG 3.35Å; E273-M277 PolarHBondContact O-N 3.1Å
274V98.8Very high98.3Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-58.2-49.6176.2176.50000110.8L227 T248 W250 T270 P271 S276 M277 C278 T281L227-V274 HydrophobicContact CD2-CB 3.86Å; L227-V274 HydrophobicContact CD2-CG1 3.84Å; L227-V274 HydrophobicContact CD2-CG2 3.98Å; T248-V274 HydrophobicContact CG2-CG2 4.12Å; W250-V274 HydrophobicContact CB-CG2 3.79Å; T270-V274 PolarHBondContact O-N 2.91Å; T270-V274 VanDerWaalsContact O-N 3.1Å; P271-V274 PolarHBondContact O-N 3.17Å; V274-S276 PolarHBondContact O-N 3.45Å; V274-M277 PolarHBondContact O-N 3.23Å; V274-C278 WeakPolarHBondContact O-CB 3.36Å; V274-C278 PolarHBondContact O-N 3.47Å; V274-T281 HydrophobicContact CG1-CG2 4.04Å
275A98.5Very high98.4Very high1 Ų139.3 Ų39.31%0.00819%0.192CC..Hα-helixtrans-61.4-32.817900000112.9P271 A272 E273 V301 I305P271-A275 WeakPolarHBondContact O-CB 3.47Å; P271-A275 PolarHBondContact O-N 2.92Å; A272-A275 PolarHBondContact O-N 3.43Å; E273-A275 PolarHBondContact O-N 3.13Å; A275-V301 HydrophobicContact CB-CG1 4.04Å; A275-I305 HydrophobicContact CB-CD1 4.4Å
276S98.3Very high98.2Very high68 Ų6841 Ų4148%0.47620%0.204SC..Hα-helixtrans-72.6-40.8176.3-174.90000112.4A272 E273 V274 K309A272-S276 WeakPolarHBondContact O-CB 3.28Å; A272-S276 PolarHBondContact O-N 2.86Å; E273-S276 PolarHBondContact O-N 2.74Å; V274-S276 PolarHBondContact O-N 3.45Å; S276-K309 VanDerWaalsContact O-CE 3.28Å; S276-K309 WeakPolarHBondContact O-CE 3.24Å; S276-K309 PolarHBondContact O-NZ 3.07Å
277M97.5Very high98.2Very high72 Ų7235.9 Ų35.936%0.35519%0.188SC..Hα-helixtrans-78.9-34.4-176.2-67.5-175.7-55.900113.1R223 T248 E273 V274R223-M277 PolarHBondContact NE-O 3.37Å; R223-M277 PolarHBondContact NH2-O 3.17Å; T248-M277 HydrophobicContact CG2-CE 3.85Å; E273-M277 HydrophobicContact CG-CE 3.8Å; E273-M277 HydrophobicContact CG-SD 4.09Å; E273-M277 WeakPolarHBondContact O-CG 3.35Å; E273-M277 PolarHBondContact O-N 3.1Å; V274-M277 PolarHBondContact O-N 3.23Å
278C98.7Very high98.2Very high0 Ų032 Ų320%017%0.168CC..  trans-93.3155.1-174.5-63.40000112R223 I224 G225 V274 K309R223-C278 HydrophobicContact CB-CB 4.49Å; R223-C278 WeakPolarHBondContact O-CB 3.48Å; I224-C278 PolarHBondContact O-SG 2.88Å; I224-C278 VanDerWaalsContact O-SG 3.33Å; G225-C278 VanDerWaalsContact CA-SG 3.57Å; G225-C278 PolarHBondContact N-SG 2.99Å; G225-C278 VanDerWaalsContact N-SG 3.43Å; V274-C278 WeakPolarHBondContact O-CB 3.36Å; V274-C278 PolarHBondContact O-N 3.47Å; C278-K309 VanDerWaalsContact O-CD 3.28Å; C278-K309 WeakPolarHBondContact O-CD 3.49Å; C278-K309 WeakPolarHBondContact O-CE 3.42Å; C278-K309 PolarHBondContact O-NZ 2.88Å
279D98.5Very high98.3Very high43 Ų4339.8 Ų39.823%0.2320%0.202CC..SBendtrans-88.3-36.1177.9-51.5-52.2000110.1K222 R223 C310K222-D279 HydrophobicContact CB-CB 4.12Å; K222-D279 HydrophobicContact CG-CB 4.35Å; R223-D279 IonicContact CZ-OD1 3.09Å; R223-D279 IonicContact CZ-OD2 2.67Å; R223-D279 PolarHBondContact N-OD2 2.91Å; R223-D279 IonicContact NH1-OD2 2.82Å; R223-D279 IonicContact NH2-OD1 2.69Å; R223-D279 PolarHBondContact NH2-OD1 3.46Å; R223-D279 IonicContact NH2-OD2 3.12Å; R223-D279 PolarHBondContact O-N 3.38Å; D279-C310 PolarHBondContact O-N 3.37Å
280I98.8Very high98.3Very high0 Ų031 Ų310%017%0.172CC..EExtended strand (participates in β ladder)trans-124126.9175.5-69.8170000108.3K222 R223 I224 G225 F282 C310 I312 D366K222-I280 HydrophobicContact CB-CD1 4.25Å; K222-I280 HydrophobicContact CD-CD1 3.46Å; K222-I280 VanDerWaalsContact CD-CD1 3.46Å; K222-I280 HydrophobicContact CD-CG1 4.06Å; K222-I280 HydrophobicContact CG-CD1 4.49Å; R223-I280 PolarHBondContact O-N 3.38Å; I224-I280 CarbonylContact C-O 3.52Å; I224-I280 WeakPolarHBondContact CA-O 3.49Å; I224-I280 HydrophobicContact CD1-CB 3.88Å; I224-I280 HydrophobicContact CD1-CD1 4.32Å; I224-I280 HydrophobicContact CD1-CG2 4.16Å; G225-I280 PolarHBondContact N-O 3.12Å; I280-F282 HydrophobicContact CG2-CD2 4.04Å; I280-F282 HydrophobicContact CG2-CE2 3.45Å; I280-F282 VanDerWaalsContact CG2-CE2 3.45Å; I280-F282 HydrophobicContact CG2-CZ 3.74Å; I280-C310 HydrophobicContact CG1-CB 4Å; I280-I312 HydrophobicContact CG2-CD1 3.63Å; I280-I312 HydrophobicContact CG2-CG1 4.39Å; I280-D366 HydrophobicContact CD1-CB 4.2Å
281T98.9Very high98.3Very high2 Ų228.9 Ų28.91%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-122.5119.4176.8-57.40000110.7G225 L227 V274 C310 Y311 I312G225-T281 CarbonylContact O-C 3.33Å; G225-T281 WeakPolarHBondContact O-CA 3.47Å; L227-T281 HydrophobicContact CD1-CG2 3.74Å; L227-T281 HydrophobicContact CD2-CG2 4.45Å; L227-T281 HydrophobicContact CG-CG2 3.8Å; V274-T281 HydrophobicContact CG1-CG2 4.04Å; T281-C310 PolarHBondContact N-O 3.26Å; T281-Y311 HydrophobicContact CG2-CD2 4.39Å; T281-Y311 CarbonylContact O-C 3.55Å; T281-Y311 WeakPolarHBondContact O-CA 3.43Å; T281-I312 PolarHBondContact O-N 3.41Å
282F98.9Very high98.3Very high0 Ų031.7 Ų31.70%017%0.169CC..EExtended strand (participates in β ladder)trans-90.9149.5173.5-61.4-90.4000111.1I224 G225 F226 L227 I280 I312 M314 C367 C370 F371 M374I224-F282 HydrophobicContact CD1-CE2 4.43Å; I224-F282 HydrophobicContact CG2-CD2 3.6Å; I224-F282 HydrophobicContact CG2-CE2 3.6Å; G225-F282 PolarHBondContact O-N 3.12Å; F226-F282 CarbonylContact C-O 3.5Å; F226-F282 WeakPolarHBondContact CA-O 3.3Å; F226-F282 HydrophobicContact CD2-CB 3.62Å; F226-F282 HydrophobicContact CD2-CD2 4.41Å; F226-F282 HydrophobicContact CD2-CG 4.28Å; F226-F282 HydrophobicContact CE2-CB 3.71Å; F226-F282 HydrophobicContact CE2-CG 4.36Å; F226-F282 HydrophobicContact CG-CB 4.41Å; L227-F282 PolarHBondContact N-O 3.23Å; I280-F282 HydrophobicContact CG2-CD2 4.04Å; I280-F282 HydrophobicContact CG2-CE2 3.45Å; I280-F282 VanDerWaalsContact CG2-CE2 3.45Å; I280-F282 HydrophobicContact CG2-CZ 3.74Å; F282-I312 CarbonylContact C-O 3.58Å; F282-I312 WeakPolarHBondContact CA-O 3.21Å; F282-I312 HydrophobicContact CD1-CB 3.55Å; F282-I312 HydrophobicContact CD1-CG1 4.07Å; F282-I312 HydrophobicContact CD1-CG2 3.51Å; F282-I312 HydrophobicContact CE1-CB 3.88Å; F282-I312 HydrophobicContact CE1-CG1 3.89Å; F282-I312 HydrophobicContact CE1-CG2 3.74Å; F282-I312 HydrophobicContact CG-CB 4.26Å; F282-I312 HydrophobicContact CZ-CG1 4.49Å; F282-M314 HydrophobicContact CB-SD 4.27Å; F282-M314 HydrophobicContact CD1-CG 4.19Å; F282-M314 HydrophobicContact CD1-SD 3.67Å; F282-M314 HydrophobicContact CE1-SD 4.48Å; F282-M314 HydrophobicContact CG-SD 4.33Å; F282-C367 HydrophobicContact CZ-CB 4.42Å; F282-C370 HydrophobicContact CE2-CB 4.23Å; F282-C370 HydrophobicContact CZ-CB 3.77Å; F282-F371 AromaticContact CE1-CE1 3.98Å; F282-F371 HydrophobicContact CE1-CE1 3.98Å; F282-M374 HydrophobicContact CE1-CE 4.32Å; F282-M374 HydrophobicContact CZ-CE 4.47Å
283S98.7Very high98.3Very high0 Ų035.7 Ų35.70%019%0.188CC..EExtended strand (participates in β ladder)trans-127.9143168.558.20000111.6L227 Y311 I312 E313 M314L227-S283 CarbonylContact O-C 3.46Å; L227-S283 WeakPolarHBondContact O-CA 3.47Å; S283-Y311 WeakPolarHBondContact CB-OH 3.46Å; S283-Y311 PolarHBondContact OG-OH 3.4Å; S283-I312 PolarHBondContact N-O 3.3Å; S283-I312 PolarHBondContact OG-O 2.92Å; S283-E313 WeakPolarHBondContact OG-CA 3.38Å; S283-E313 PolarHBondContact OG-OE1 2.89Å; S283-E313 VanDerWaalsContact OG-OE1 3.07Å; S283-E313 PolarHBondContact OG-OE2 3.46Å; S283-M314 WeakPolarHBondContact O-CA 3.34Å; S283-M314 WeakPolarHBondContact O-CB 3.26Å; S283-M314 PolarHBondContact O-N 3.37Å
284C98.4Very high98.3Very high16 Ų1633.5 Ų33.511%0.10818%0.179CC..  trans-14691.9174.6-167.70000110.1F226 L227F226-C284 HydrophobicContact CE1-CB 4.06Å; F226-C284 HydrophobicContact CZ-CB 3.97Å; L227-C284 PolarHBondContact O-N 2.86Å
285V98.3Very high98.3Very high35 Ų3533.5 Ų33.521%0.21218%0.179CC..  trans-123.6174.2-175-61.80000112.2A290 A291 L294 S315V285-A290 HydrophobicContact CB-CB 4.05Å; V285-A290 HydrophobicContact CG2-CB 3.94Å; V285-A291 HydrophobicContact CG2-CB 3.99Å; V285-L294 HydrophobicContact CG1-CD2 3.99Å; V285-S315 VanDerWaalsContact CG2-OG 3.24Å; V285-S315 WeakPolarHBondContact CG2-OG 3.39Å; V285-S315 PolarHBondContact N-OG 3.06Å; V285-S315 WeakPolarHBondContact O-CB 3.46Å; V285-S315 PolarHBondContact O-OG 3.49Å
286S95.1Very high98.3Very high43 Ų4336.9 Ų36.930%0.30120%0.196SC..SBendtrans-72.5-37.5-161.849.20000115.5
287D97.5Very high98.3Very high51 Ų5134.1 Ų34.127%0.27318%0.179SC..SBendtrans-162.9168.9-164.659.266.3000112.1K289 A290 A291 K459D287-K289 PolarHBondContact O-N 3.15Å; D287-K289 WeakPolarHBondContact OD1-CA 3.44Å; D287-K289 VanDerWaalsContact OD1-CB 3.31Å; D287-K289 WeakPolarHBondContact OD1-CB 3.14Å; D287-K289 PolarHBondContact OD1-N 2.94Å; D287-A290 PolarHBondContact O-N 2.99Å; D287-A290 VanDerWaalsContact O-N 3.16Å; D287-A290 PolarHBondContact OD1-N 3Å; D287-A291 PolarHBondContact O-N 2.97Å; D287-K459 HydrophobicContact CB-CD 3.78Å; D287-K459 HydrophobicContact CB-CG 4.45Å
288P98.4Very high98.2Very high10 Ų1036.3 Ų36.37%0.06520%0.198CC..Hα-helixtrans-57.2-29.4179.8-27.934.2000115.4R292 V317 D318 T321 L463P288-R292 WeakPolarHBondContact O-CG 3.32Å; P288-R292 PolarHBondContact O-N 2.82Å; P288-R292 VanDerWaalsContact O-N 3.11Å; P288-R292 PolarHBondContact O-NH1 2.87Å; P288-V317 HydrophobicContact CB-CB 4.32Å; P288-V317 HydrophobicContact CB-CG1 4.26Å; P288-V317 HydrophobicContact CG-CB 3.91Å; P288-V317 HydrophobicContact CG-CG1 4Å; P288-D318 WeakPolarHBondContact CB-OD1 3.21Å; P288-D318 WeakPolarHBondContact CG-OD1 3.4Å; P288-T321 HydrophobicContact CB-CG2 4.29Å; P288-L463 HydrophobicContact CG-CD1 3.93Å; P288-L463 HydrophobicContact CG-CD2 4.35Å
289K98.4Very high98.2Very high167 Ų16738.9 Ų38.973%0.72622%0.216SC*.Hα-helixtrans-72.9-44.4178.3-178.4-177.3177.9-178.80109.9D287 A291 R292 D293D287-K289 PolarHBondContact O-N 3.15Å; D287-K289 WeakPolarHBondContact OD1-CA 3.44Å; D287-K289 VanDerWaalsContact OD1-CB 3.31Å; D287-K289 WeakPolarHBondContact OD1-CB 3.14Å; D287-K289 PolarHBondContact OD1-N 2.94Å; K289-A291 VanDerWaalsContact C-N 3.33Å; K289-A291 PolarHBondContact O-N 2.9Å; K289-R292 PolarHBondContact O-N 2.81Å; K289-D293 WeakPolarHBondContact O-CB 3.22Å; K289-D293 PolarHBondContact O-N 2.91Å
290A98.4Very high98.2Very high18 Ų1837 Ų3715%0.14921%0.206CC..Hα-helixtrans-62.1-39.9175.400000112V285 D287 L294V285-A290 HydrophobicContact CB-CB 4.05Å; V285-A290 HydrophobicContact CG2-CB 3.94Å; D287-A290 PolarHBondContact O-N 2.99Å; D287-A290 VanDerWaalsContact O-N 3.16Å; D287-A290 PolarHBondContact OD1-N 3Å; A290-L294 VanDerWaalsContact O-CB 3.24Å; A290-L294 WeakPolarHBondContact O-CB 3.5Å; A290-L294 PolarHBondContact O-N 2.93Å
291A98.6Very high98.2Very high0 Ų037 Ų370%021%0.206CC..Hα-helixtrans-64.2-45176.700000111.9V285 D287 K289 L294 V295 V317 L325V285-A291 HydrophobicContact CG2-CB 3.99Å; D287-A291 PolarHBondContact O-N 2.97Å; K289-A291 VanDerWaalsContact C-N 3.33Å; K289-A291 PolarHBondContact O-N 2.9Å; A291-L294 PolarHBondContact O-N 3.4Å; A291-V295 WeakPolarHBondContact O-CG2 3.12Å; A291-V295 PolarHBondContact O-N 3.14Å; A291-V317 HydrophobicContact CB-CG1 4.09Å; A291-L325 HydrophobicContact CB-CD1 4.18Å
292R98.6Very high98.2Very high70 Ų7038 Ų3826%0.26421%0.212SC..Hα-helixtrans-61.5-48.3174.4-76.1-179.4179.284.61.6112.7P288 K289 L294 V295 L296 T321 E324P288-R292 WeakPolarHBondContact O-CG 3.32Å; P288-R292 PolarHBondContact O-N 2.82Å; P288-R292 VanDerWaalsContact O-N 3.11Å; P288-R292 PolarHBondContact O-NH1 2.87Å; K289-R292 PolarHBondContact O-N 2.81Å; R292-L294 VanDerWaalsContact C-N 3.3Å; R292-L294 PolarHBondContact O-N 3.48Å; R292-V295 PolarHBondContact O-N 3.12Å; R292-L296 VanDerWaalsContact O-CB 3.32Å; R292-L296 WeakPolarHBondContact O-CB 3.44Å; R292-L296 PolarHBondContact O-N 2.76Å; R292-T321 HydrophobicContact CG-CG2 4.3Å; R292-T321 PolarHBondContact NH1-OG1 2.87Å; R292-T321 PolarHBondContact NH2-OG1 2.8Å; R292-E324 IonicContact CZ-OE2 2.99Å; R292-E324 VanDerWaalsContact CZ-OE2 3.27Å; R292-E324 IonicContact NE-OE1 3.2Å; R292-E324 IonicContact NE-OE2 2.8Å; R292-E324 PolarHBondContact NE-OE2 3.19Å; R292-E324 IonicContact NH2-OE2 3.31Å; R292-E324 PolarHBondContact NH2-OE2 3.34Å
293D98.4Very high98.1Very high95 Ų9542.6 Ų42.651%0.50823%0.233SC..Hα-helixtrans-60.5-41.7179.5-174.757.8000111.4K289 V295 G297K289-D293 WeakPolarHBondContact O-CB 3.22Å; K289-D293 PolarHBondContact O-N 2.91Å; D293-V295 VanDerWaalsContact C-N 3.29Å; D293-V295 PolarHBondContact O-N 3.36Å; D293-G297 WeakPolarHBondContact O-CA 3.33Å; D293-G297 PolarHBondContact O-N 3.48Å
294L98.6Very high98.1Very high12 Ų1242.9 Ų42.96%0.06324%0.236CC..Hα-helixtrans-60.2-38.5176.8-174.668000112.6L227 W250 P271 V285 A290 A291 R292 G300 V301L227-L294 HydrophobicContact CB-CD1 4.36Å; L227-L294 HydrophobicContact CB-CD2 3.89Å; L227-L294 HydrophobicContact CD1-CD1 4.26Å; L227-L294 HydrophobicContact CD1-CD2 4.03Å; L227-L294 HydrophobicContact CD1-CG 4.22Å; W250-L294 HydrophobicContact CE3-CD1 4.08Å; W250-L294 HydrophobicContact CH2-CD1 3.99Å; W250-L294 HydrophobicContact CZ3-CD1 3.4Å; W250-L294 VanDerWaalsContact CZ3-CD1 3.4Å; P271-L294 HydrophobicContact CB-CD1 3.95Å; P271-L294 HydrophobicContact CG-CD1 3.56Å; V285-L294 HydrophobicContact CG1-CD2 3.99Å; A290-L294 VanDerWaalsContact O-CB 3.24Å; A290-L294 WeakPolarHBondContact O-CB 3.5Å; A290-L294 PolarHBondContact O-N 2.93Å; A291-L294 PolarHBondContact O-N 3.4Å; R292-L294 VanDerWaalsContact C-N 3.3Å; R292-L294 PolarHBondContact O-N 3.48Å; L294-G300 CarbonylContact O-C 3.56Å; L294-G300 WeakPolarHBondContact O-CA 3.34Å; L294-V301 HydrophobicContact CG-CG2 4.23Å; L294-V301 PolarHBondContact O-N 2.98Å
295V98.7Very high98.1Very high0 Ų042.1 Ų42.10%023%0.231CC..Hα-helixtrans-87.1-50.3-176.4176.80000112.5A291 R292 D293 G300 V301 L302 Y311 L325 V328 I329A291-V295 WeakPolarHBondContact O-CG2 3.12Å; A291-V295 PolarHBondContact O-N 3.14Å; R292-V295 PolarHBondContact O-N 3.12Å; D293-V295 VanDerWaalsContact C-N 3.29Å; D293-V295 PolarHBondContact O-N 3.36Å; V295-G300 CarbonylContact O-C 3.58Å; V295-V301 HydrophobicContact CB-CB 4.49Å; V295-V301 HydrophobicContact CG1-CB 4.48Å; V295-V301 HydrophobicContact CG2-CB 4.28Å; V295-V301 HydrophobicContact CG2-CG2 4.37Å; V295-V301 PolarHBondContact O-N 2.97Å; V295-L302 HydrophobicContact CG1-CB 4.29Å; V295-L302 VanDerWaalsContact O-CB 3.22Å; V295-L302 WeakPolarHBondContact O-CB 3.46Å; V295-L302 PolarHBondContact O-N 3.13Å; V295-Y311 HydrophobicContact CG2-CE1 3.84Å; V295-Y311 WeakPolarHBondContact CG2-OH 3.39Å; V295-L325 HydrophobicContact CB-CD2 3.77Å; V295-L325 HydrophobicContact CG1-CD2 3.94Å; V295-L325 HydrophobicContact CG2-CD1 4.28Å; V295-L325 HydrophobicContact CG2-CD2 3.94Å; V295-V328 HydrophobicContact CG1-CG2 4.22Å; V295-I329 HydrophobicContact CG1-CD1 4.01Å; V295-I329 HydrophobicContact CG1-CG1 4.44Å
296L98.4Very high98Very high73 Ų7346.8 Ų46.838%0.38225%0.245SC..Hα-helixtrans-93.7-18-169.9-59177.4000113.5R292 L302 E324 V328R292-L296 VanDerWaalsContact O-CB 3.32Å; R292-L296 WeakPolarHBondContact O-CB 3.44Å; R292-L296 PolarHBondContact O-N 2.76Å; L296-L302 HydrophobicContact CD2-CD2 4.04Å; L296-E324 WeakPolarHBondContact CD1-OE1 3.16Å; L296-V328 HydrophobicContact CD2-CB 4.34Å; L296-V328 HydrophobicContact CD2-CG1 4.24Å; L296-V328 HydrophobicContact CD2-CG2 3.92Å
297G98Very high98.1Very high10 Ų1049.9 Ų49.910%0.10326%0.264CS..SBendtrans-66.2173.7-176.500000114.2D293 S299 G300 Q303D293-G297 WeakPolarHBondContact O-CA 3.33Å; D293-G297 PolarHBondContact O-N 3.48Å; G297-S299 PolarHBondContact O-N 3.13Å; G297-G300 WeakPolarHBondContact O-CA 3.47Å; G297-G300 PolarHBondContact O-N 3.12Å; G297-Q303 PolarHBondContact O-NE2 2.69Å
298P96.9Very high97.9Very high118 Ų11850 Ų5077%0.76628%0.277SS*.THydrogen-bonded Turntrans-60.9132.7174.227.5-33.9000110.2G300P298-G300 PolarHBondContact O-N 3.12Å; P298-G300 VanDerWaalsContact O-N 3.1Å
299S97.8Very high97.9Very high53 Ų5351 Ų5137%0.37128%0.281SS..THydrogen-bonded Turntrans54.624.4-171.5-53.60000113.7P271 A272 G297 Q303P271-S299 WeakPolarHBondContact CD-O 3.37Å; A272-S299 VanDerWaalsContact CB-O 3.28Å; A272-S299 WeakPolarHBondContact CB-O 3.48Å; A272-S299 PolarHBondContact N-O 2.86Å; G297-S299 PolarHBondContact O-N 3.13Å; S299-Q303 VanDerWaalsContact N-NE2 3.13Å
300G98.4Very high97.9Very high3 Ų343.3 Ų43.33%0.03125%0.247CC..  trans-73.7169.4175.200000113A272 L294 V295 G297 P298 L302 Q303A272-G300 WeakPolarHBondContact CB-O 3.44Å; L294-G300 CarbonylContact O-C 3.56Å; L294-G300 WeakPolarHBondContact O-CA 3.34Å; V295-G300 CarbonylContact O-C 3.58Å; G297-G300 WeakPolarHBondContact O-CA 3.47Å; G297-G300 PolarHBondContact O-N 3.12Å; P298-G300 PolarHBondContact O-N 3.12Å; P298-G300 VanDerWaalsContact O-N 3.1Å; G300-L302 PolarHBondContact O-N 3.07Å; G300-L302 VanDerWaalsContact O-N 3.11Å; G300-Q303 PolarHBondContact O-N 3.45Å; G300-Q303 VanDerWaalsContact O-N 3.08Å
301V98.7Very high97.9Very high0 Ų042.4 Ų42.40%024%0.24CC..Hα-helixtrans-48.9-44-175.3174.80000112.1L227 P271 A275 L294 V295 Q303 G304 I305 Y311 I329L227-V301 HydrophobicContact CD1-CG2 3.39Å; P271-V301 HydrophobicContact CB-CG2 3.98Å; A275-V301 HydrophobicContact CB-CG1 4.04Å; L294-V301 HydrophobicContact CG-CG2 4.23Å; L294-V301 PolarHBondContact O-N 2.98Å; V295-V301 HydrophobicContact CB-CB 4.49Å; V295-V301 HydrophobicContact CG1-CB 4.48Å; V295-V301 HydrophobicContact CG2-CB 4.28Å; V295-V301 HydrophobicContact CG2-CG2 4.37Å; V295-V301 PolarHBondContact O-N 2.97Å; V301-Q303 PolarHBondContact O-N 3.01Å; V301-G304 PolarHBondContact O-N 3.36Å; V301-I305 HydrophobicContact CG1-CD1 4Å; V301-I305 HydrophobicContact CG1-CG1 3.93Å; V301-I305 WeakPolarHBondContact O-CG1 3.26Å; V301-I305 PolarHBondContact O-N 2.91Å; V301-Y311 HydrophobicContact CB-CE2 4.26Å; V301-Y311 HydrophobicContact CG1-CD2 3.55Å; V301-Y311 HydrophobicContact CG1-CE2 3.76Å; V301-Y311 HydrophobicContact CG1-CG 4.14Å; V301-Y311 HydrophobicContact CG2-CD2 4.32Å; V301-Y311 HydrophobicContact CG2-CE2 3.7Å; V301-I329 HydrophobicContact CG1-CD1 3.99Å
302L98.4Very high97.9Very high25 Ų2542.4 Ų42.413%0.13124%0.24CC..Hα-helixtrans-56.9-29.7-174.2-16966.7000113.1V295 L296 G300 G304 I305 V328 I329 R332V295-L302 HydrophobicContact CG1-CB 4.29Å; V295-L302 VanDerWaalsContact O-CB 3.22Å; V295-L302 WeakPolarHBondContact O-CB 3.46Å; V295-L302 PolarHBondContact O-N 3.13Å; L296-L302 HydrophobicContact CD2-CD2 4.04Å; G300-L302 PolarHBondContact O-N 3.07Å; G300-L302 VanDerWaalsContact O-N 3.11Å; L302-G304 VanDerWaalsContact C-N 3.32Å; L302-G304 PolarHBondContact O-N 2.78Å; L302-I305 PolarHBondContact O-N 2.89Å; L302-V328 HydrophobicContact CD1-CB 4.09Å; L302-V328 HydrophobicContact CD1-CG2 4.19Å; L302-V328 VanDerWaalsContact CD1-O 3.3Å; L302-V328 WeakPolarHBondContact CD1-O 3.03Å; L302-V328 HydrophobicContact CD2-CB 4.3Å; L302-I329 HydrophobicContact CD1-CD1 4.26Å; L302-R332 HydrophobicContact CD1-CB 4.41Å; L302-R332 HydrophobicContact CD1-CG 3.57Å; L302-R332 HydrophobicContact CG-CG 4.15Å
303Q98.3Very high97.9Very high96 Ų9639.1 Ų39.145%0.44923%0.228SC..Hα-helixtrans-71.2-28.8179.7-55.3-172.68.600112.4A272 G297 S299 G300 V301 R306A272-Q303 HydrophobicContact CB-CB 3.96Å; G297-Q303 PolarHBondContact O-NE2 2.69Å; S299-Q303 VanDerWaalsContact N-NE2 3.13Å; G300-Q303 PolarHBondContact O-N 3.45Å; G300-Q303 VanDerWaalsContact O-N 3.08Å; V301-Q303 PolarHBondContact O-N 3.01Å; Q303-R306 PolarHBondContact O-NH1 2.95Å; Q303-R306 PolarHBondContact O-NH2 3.38Å
304G97.8Very high97.9Very high5 Ų534.7 Ų34.75%0.05220%0.204CC..Hα-helixtrans-89-13.9177.200000114.9A272 V301 L302A272-G304 WeakPolarHBondContact O-CA 3.34Å; V301-G304 PolarHBondContact O-N 3.36Å; L302-G304 VanDerWaalsContact C-N 3.32Å; L302-G304 PolarHBondContact O-N 2.78Å
305I98.3Very high97.9Very high1 Ų134.3 Ų34.31%0.00520%0.202CC..  trans-72.6134.5-179.3-64.9-66.2000111.5A275 V301 L302 K309 I329 R332A275-I305 HydrophobicContact CB-CD1 4.4Å; V301-I305 HydrophobicContact CG1-CD1 4Å; V301-I305 HydrophobicContact CG1-CG1 3.93Å; V301-I305 WeakPolarHBondContact O-CG1 3.26Å; V301-I305 PolarHBondContact O-N 2.91Å; L302-I305 PolarHBondContact O-N 2.89Å; I305-K309 HydrophobicContact CD1-CB 4.02Å; I305-I329 HydrophobicContact CD1-CD1 4.19Å; I305-I329 HydrophobicContact CG1-CD1 3.7Å; I305-I329 HydrophobicContact CG2-CG2 4.47Å; I305-R332 HydrophobicContact CB-CB 4.28Å; I305-R332 HydrophobicContact CG2-CB 3.74Å
306R95.4Very high97.9Very high132 Ų13235 Ų3550%0.49821%0.206SC..  trans-143.6167.3176.2-62.5-64.6-178.4-89.6-5.1108.7Q303 G308 K309Q303-R306 PolarHBondContact O-NH1 2.95Å; Q303-R306 PolarHBondContact O-NH2 3.38Å; R306-G308 PolarHBondContact O-N 2.73Å; R306-K309 HydrophobicContact CB-CG 4.39Å; R306-K309 WeakPolarHBondContact O-CB 3.43Å; R306-K309 WeakPolarHBondContact O-CG 3.4Å; R306-K309 PolarHBondContact O-N 2.77Å; R306-K309 VanDerWaalsContact O-N 3.08Å
307P97.9Very high97.9Very high109 Ų10931.5 Ų31.571%0.70819%0.188SC*.THydrogen-bonded Turntrans-46.3127.5174.3-31.737.6000113.3G333P307-G333 VanDerWaalsContact CA-O 3.32Å; P307-G333 WeakPolarHBondContact CA-O 3.29Å
308G92.8Very high97.9Very high53 Ų5332 Ų3255%0.54619%0.189SC..THydrogen-bonded Turntrans90.7-10.1178.900000115.8R306 G333R306-G308 PolarHBondContact O-N 2.73Å; G308-G333 PolarHBondContact N-O 3.27Å
309K98.1Very high97.9Very high32 Ų3226.5 Ų26.514%0.13915%0.153CC..  trans-75.7138.7174.4-61.5-58.5-169174.10111.4S276 C278 I305 R306 G334 R335S276-K309 VanDerWaalsContact O-CE 3.28Å; S276-K309 WeakPolarHBondContact O-CE 3.24Å; S276-K309 PolarHBondContact O-NZ 3.07Å; C278-K309 VanDerWaalsContact O-CD 3.28Å; C278-K309 WeakPolarHBondContact O-CD 3.49Å; C278-K309 WeakPolarHBondContact O-CE 3.42Å; C278-K309 PolarHBondContact O-NZ 2.88Å; I305-K309 HydrophobicContact CD1-CB 4.02Å; R306-K309 HydrophobicContact CB-CG 4.39Å; R306-K309 WeakPolarHBondContact O-CB 3.43Å; R306-K309 WeakPolarHBondContact O-CG 3.4Å; R306-K309 PolarHBondContact O-N 2.77Å; R306-K309 VanDerWaalsContact O-N 3.08Å; K309-G334 CarbonylContact O-C 3.18Å; K309-G334 VanDerWaalsContact O-CA 3.29Å; K309-G334 WeakPolarHBondContact O-CA 3.45Å; K309-R335 PolarHBondContact O-N 3.27Å
310C98.6Very high97.9Very high4 Ų427.5 Ų27.53%0.02715%0.151CC..EExtended strand (participates in β ladder)trans-110.7134.9178.7-550000111D279 I280 T281 I312 R335 V363D279-C310 PolarHBondContact O-N 3.37Å; I280-C310 HydrophobicContact CG1-CB 4Å; T281-C310 PolarHBondContact N-O 3.26Å; C310-I312 HydrophobicContact CB-CD1 4.01Å; C310-R335 CarbonylContact C-O 3.57Å; C310-R335 WeakPolarHBondContact CA-O 3.41Å; C310-V363 HydrophobicContact CB-CG1 4.08Å; C310-V363 HydrophobicContact CB-CG2 4.23Å
311Y98.8Very high97.9Very high0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-121125.9173.7-176.5-106000110.4L227 T281 S283 V295 V301 E313 I329 R335 F336 L337L227-Y311 HydrophobicContact CD1-CE2 4.3Å; T281-Y311 HydrophobicContact CG2-CD2 4.39Å; T281-Y311 CarbonylContact O-C 3.55Å; T281-Y311 WeakPolarHBondContact O-CA 3.43Å; S283-Y311 WeakPolarHBondContact CB-OH 3.46Å; S283-Y311 PolarHBondContact OG-OH 3.4Å; V295-Y311 HydrophobicContact CG2-CE1 3.84Å; V295-Y311 WeakPolarHBondContact CG2-OH 3.39Å; V301-Y311 HydrophobicContact CB-CE2 4.26Å; V301-Y311 HydrophobicContact CG1-CD2 3.55Å; V301-Y311 HydrophobicContact CG1-CE2 3.76Å; V301-Y311 HydrophobicContact CG1-CG 4.14Å; V301-Y311 HydrophobicContact CG2-CD2 4.32Å; V301-Y311 HydrophobicContact CG2-CE2 3.7Å; Y311-E313 HydrophobicContact CE1-CB 4.05Å; Y311-E313 WeakPolarHBondContact CE1-OE2 3.46Å; Y311-E313 PolarHBondContact OH-OE2 3.03Å; Y311-I329 HydrophobicContact CD1-CD1 4.33Å; Y311-I329 HydrophobicContact CD1-CG1 4.28Å; Y311-I329 HydrophobicContact CG-CD1 4.32Å; Y311-R335 PolarHBondContact N-O 2.91Å; Y311-F336 AromaticContact CD1-CD2 3.87Å; Y311-F336 HydrophobicContact CD1-CD2 3.87Å; Y311-F336 AromaticContact CD1-CE2 3.78Å; Y311-F336 HydrophobicContact CD1-CE2 3.78Å; Y311-F336 HydrophobicContact CE1-CE2 4.15Å; Y311-F336 WeakPolarHBondContact O-CA 3.48Å; Y311-L337 PolarHBondContact O-N 2.84Å; Y311-L337 VanDerWaalsContact O-N 3.08Å
312I98.8Very high97.9Very high0 Ų027.4 Ų27.40%015%0.15CC..EExtended strand (participates in β ladder)trans-116.6112.1-176.3-63.356000108.2I280 T281 F282 S283 C310 M314 L337 A339 V363I280-I312 HydrophobicContact CG2-CD1 3.63Å; I280-I312 HydrophobicContact CG2-CG1 4.39Å; T281-I312 PolarHBondContact O-N 3.41Å; F282-I312 CarbonylContact C-O 3.58Å; F282-I312 WeakPolarHBondContact CA-O 3.21Å; F282-I312 HydrophobicContact CD1-CB 3.55Å; F282-I312 HydrophobicContact CD1-CG1 4.07Å; F282-I312 HydrophobicContact CD1-CG2 3.51Å; F282-I312 HydrophobicContact CE1-CB 3.88Å; F282-I312 HydrophobicContact CE1-CG1 3.89Å; F282-I312 HydrophobicContact CE1-CG2 3.74Å; F282-I312 HydrophobicContact CG-CB 4.26Å; F282-I312 HydrophobicContact CZ-CG1 4.49Å; S283-I312 PolarHBondContact N-O 3.3Å; S283-I312 PolarHBondContact OG-O 2.92Å; C310-I312 HydrophobicContact CB-CD1 4.01Å; I312-M314 HydrophobicContact CG2-CG 4.04Å; I312-L337 CarbonylContact C-O 3.51Å; I312-L337 WeakPolarHBondContact CA-O 3.25Å; I312-L337 HydrophobicContact CG1-CB 4.22Å; I312-L337 HydrophobicContact CG1-CD2 4.27Å; I312-L337 HydrophobicContact CG2-CD2 4.44Å; I312-A339 HydrophobicContact CG2-CB 3.64Å; I312-V363 HydrophobicContact CD1-CG1 3.63Å; I312-V363 HydrophobicContact CG1-CG1 4.05Å
313E98.8Very high97.8Very high0 Ų028.9 Ų28.90%016%0.16CC..EExtended strand (participates in β ladder)trans-92.3107.9179.8-175.754-114.300111S283 Y311 S315 I322 L325 F336 L337 E338 A339S283-E313 WeakPolarHBondContact OG-CA 3.38Å; S283-E313 PolarHBondContact OG-OE1 2.89Å; S283-E313 VanDerWaalsContact OG-OE1 3.07Å; S283-E313 PolarHBondContact OG-OE2 3.46Å; Y311-E313 HydrophobicContact CE1-CB 4.05Å; Y311-E313 WeakPolarHBondContact CE1-OE2 3.46Å; Y311-E313 PolarHBondContact OH-OE2 3.03Å; E313-S315 WeakPolarHBondContact OE1-CB 3.36Å; E313-S315 PolarHBondContact OE1-N 3.43Å; E313-S315 PolarHBondContact OE1-OG 3.47Å; E313-I322 HydrophobicContact CB-CD1 4.37Å; E313-I322 HydrophobicContact CG-CD1 3.92Å; E313-L325 HydrophobicContact CG-CD1 4.35Å; E313-F336 HydrophobicContact CB-CE2 4.08Å; E313-F336 HydrophobicContact CB-CZ 3.88Å; E313-L337 PolarHBondContact N-O 2.78Å; E313-E338 CarbonylContact O-C 3.47Å; E313-E338 WeakPolarHBondContact O-CA 3.34Å; E313-A339 PolarHBondContact O-N 2.91Å
314M98.7Very high97.8Very high2 Ų227.3 Ų27.31%0.0115%0.153CC..  trans-100.6-0.5-178.8-48.7-173.176.100113.6F226 I236 F282 S283 I312 A339 P340 V341 M374F226-M314 HydrophobicContact CE2-SD 4.46Å; I236-M314 HydrophobicContact CD1-CE 4.33Å; I236-M314 HydrophobicContact CD1-SD 4.38Å; F282-M314 HydrophobicContact CB-SD 4.27Å; F282-M314 HydrophobicContact CD1-CG 4.19Å; F282-M314 HydrophobicContact CD1-SD 3.67Å; F282-M314 HydrophobicContact CE1-SD 4.48Å; F282-M314 HydrophobicContact CG-SD 4.33Å; S283-M314 WeakPolarHBondContact O-CA 3.34Å; S283-M314 WeakPolarHBondContact O-CB 3.26Å; S283-M314 PolarHBondContact O-N 3.37Å; I312-M314 HydrophobicContact CG2-CG 4.04Å; M314-A339 WeakPolarHBondContact CB-O 3.34Å; M314-A339 WeakPolarHBondContact CE-O 3.31Å; M314-A339 HydrophobicContact CG-CB 4.35Å; M314-P340 WeakPolarHBondContact O-CA 3.38Å; M314-V341 HydrophobicContact CE-CG1 3.47Å; M314-V341 VanDerWaalsContact CE-CG1 3.47Å; M314-M374 HydrophobicContact CE-CE 4.48Å; M314-M374 HydrophobicContact CE-SD 3.36Å; M314-M374 WeakPolarHBondContact CE-SD 3.33Å; M314-M374 HydrophobicContact SD-SD 4.11Å
315S98.3Very high97.9Very high4 Ų427 Ų273%0.02815%0.151CC..SBendtrans-73.5141.9178.6-45.60000110.9V285 E313 V317V285-S315 VanDerWaalsContact CG2-OG 3.24Å; V285-S315 WeakPolarHBondContact CG2-OG 3.39Å; V285-S315 PolarHBondContact N-OG 3.06Å; V285-S315 WeakPolarHBondContact O-CB 3.46Å; V285-S315 PolarHBondContact O-OG 3.49Å; E313-S315 WeakPolarHBondContact OE1-CB 3.36Å; E313-S315 PolarHBondContact OE1-N 3.43Å; E313-S315 PolarHBondContact OE1-OG 3.47Å; S315-V317 PolarHBondContact O-N 2.84Å; S315-V317 VanDerWaalsContact O-N 3.12Å
316T98.4Very high97.9Very high14 Ų1428.1 Ų28.19%0.08616%0.158CC..  trans-73.9105.2169.5-50.90000109.8M391 L392 K459 D460T316-M391 HydrophobicContact CG2-CG 3.63Å; T316-L392 HydrophobicContact CG2-CD2 3.91Å; T316-K459 PolarHBondContact O-NZ 2.81Å; T316-D460 WeakPolarHBondContact CG2-OD1 3.49Å
317V98.4Very high98Very high0 Ų027.6 Ų27.60%016%0.162CC..  trans-132173.3179.2-58.70000110.6P288 A291 S315 T321 I322P288-V317 HydrophobicContact CB-CB 4.32Å; P288-V317 HydrophobicContact CB-CG1 4.26Å; P288-V317 HydrophobicContact CG-CB 3.91Å; P288-V317 HydrophobicContact CG-CG1 4Å; A291-V317 HydrophobicContact CB-CG1 4.09Å; S315-V317 PolarHBondContact O-N 2.84Å; S315-V317 VanDerWaalsContact O-N 3.12Å; V317-T321 HydrophobicContact CB-CG2 4.16Å; V317-T321 HydrophobicContact CG2-CG2 4.07Å; V317-I322 HydrophobicContact CG2-CD1 3.34Å; V317-I322 HydrophobicContact CG2-CG1 3.65Å
318D97.9Very high98Very high22 Ų2224.1 Ų24.112%0.11814%0.138CC..  trans-76.7155175.152.7-88.6000113.3P288 E320 T321 I322 L463P288-D318 WeakPolarHBondContact CB-OD1 3.21Å; P288-D318 WeakPolarHBondContact CG-OD1 3.4Å; D318-E320 WeakPolarHBondContact CB-OE2 3.48Å; D318-E320 PolarHBondContact O-N 3.42Å; D318-T321 WeakPolarHBondContact O-CB 3.35Å; D318-T321 PolarHBondContact O-N 2.91Å; D318-T321 VanDerWaalsContact O-N 3.17Å; D318-T321 PolarHBondContact OD1-OG1 3.46Å; D318-T321 WeakPolarHBondContact OD2-CB 3.44Å; D318-T321 PolarHBondContact OD2-N 3.19Å; D318-T321 PolarHBondContact OD2-OG1 2.98Å; D318-I322 PolarHBondContact O-N 2.74Å; D318-I322 VanDerWaalsContact O-N 3.17Å; D318-L463 HydrophobicContact CB-CD2 4.19Å
319P96.9Very high98.3Very high2 Ų221.6 Ų21.61%0.01311%0.112CC..Hα-helixtrans-59.1-29.9-179.5-25.136000114.3I322 T323 A388 R389P319-I322 PolarHBondContact O-N 3.14Å; P319-T323 WeakPolarHBondContact O-CB 3.49Å; P319-T323 PolarHBondContact O-N 3.5Å; P319-T323 PolarHBondContact O-OG1 2.87Å; P319-A388 HydrophobicContact CG-CB 4.28Å; P319-R389 HydrophobicContact CB-CG 4.34Å; P319-R389 HydrophobicContact CG-CG 3.52Å
320E97.2Very high98.3Very high73 Ų7323.3 Ų23.334%0.34113%0.125SC..Hα-helixtrans-66.4-44.1178.2-6365.5-139.300110.1D318 T323 E324 M470D318-E320 WeakPolarHBondContact CB-OE2 3.48Å; D318-E320 PolarHBondContact O-N 3.42Å; E320-T323 PolarHBondContact O-N 3.43Å; E320-E324 WeakPolarHBondContact O-CB 3.44Å; E320-E324 PolarHBondContact O-N 2.9Å; E320-M470 HydrophobicContact CG-CE 4.16Å; E320-M470 HydrophobicContact CG-SD 4.48Å; E320-M470 WeakPolarHBondContact OE1-CE 3.3Å; E320-M470 VanDerWaalsContact OE1-SD 3.38Å
321T98.5Very high98.3Very high0 Ų027.5 Ų27.50%016%0.155CC..Hα-helixtrans-59-46.5172-55.80000111.2P288 R292 V317 D318 T323 E324 L325P288-T321 HydrophobicContact CB-CG2 4.29Å; R292-T321 HydrophobicContact CG-CG2 4.3Å; R292-T321 PolarHBondContact NH1-OG1 2.87Å; R292-T321 PolarHBondContact NH2-OG1 2.8Å; V317-T321 HydrophobicContact CB-CG2 4.16Å; V317-T321 HydrophobicContact CG2-CG2 4.07Å; D318-T321 WeakPolarHBondContact O-CB 3.35Å; D318-T321 PolarHBondContact O-N 2.91Å; D318-T321 VanDerWaalsContact O-N 3.17Å; D318-T321 PolarHBondContact OD1-OG1 3.46Å; D318-T321 WeakPolarHBondContact OD2-CB 3.44Å; D318-T321 PolarHBondContact OD2-N 3.19Å; D318-T321 PolarHBondContact OD2-OG1 2.98Å; T321-T323 VanDerWaalsContact C-N 3.3Å; T321-T323 PolarHBondContact O-N 3.48Å; T321-E324 PolarHBondContact O-N 3.2Å; T321-L325 HydrophobicContact CG2-CD1 4.09Å; T321-L325 HydrophobicContact CG2-CG 4.25Å; T321-L325 WeakPolarHBondContact O-CB 3.33Å; T321-L325 VanDerWaalsContact O-CG 3.27Å; T321-L325 WeakPolarHBondContact O-CG 3.24Å; T321-L325 PolarHBondContact O-N 3.44Å
322I98.4Very high98.2Very high1 Ų134 Ų341%0.00518%0.179CC..Hα-helixtrans-60.6-42.4178-67.3-55.8000111.7E313 V317 D318 P319 L325 S326 F336 E338 A384 A388E313-I322 HydrophobicContact CB-CD1 4.37Å; E313-I322 HydrophobicContact CG-CD1 3.92Å; V317-I322 HydrophobicContact CG2-CD1 3.34Å; V317-I322 HydrophobicContact CG2-CG1 3.65Å; D318-I322 PolarHBondContact O-N 2.74Å; D318-I322 VanDerWaalsContact O-N 3.17Å; P319-I322 PolarHBondContact O-N 3.14Å; I322-L325 PolarHBondContact O-N 2.93Å; I322-S326 WeakPolarHBondContact O-CB 3.44Å; I322-S326 PolarHBondContact O-N 3.25Å; I322-F336 HydrophobicContact CD1-CZ 4.31Å; I322-F336 HydrophobicContact CG2-CE1 3.83Å; I322-F336 HydrophobicContact CG2-CZ 4.19Å; I322-E338 HydrophobicContact CD1-CB 3.97Å; I322-E338 HydrophobicContact CG1-CB 4.45Å; I322-E338 HydrophobicContact CG2-CB 4.13Å; I322-E338 HydrophobicContact CG2-CG 4.11Å; I322-A384 HydrophobicContact CG2-CB 4.05Å; I322-A388 HydrophobicContact CG1-CB 3.91Å
323T97.8Very high98.1Very high56 Ų5635.6 Ų35.634%0.34420%0.196SC..Hα-helixtrans-64.1-45.7179.4-63.50000110.9P319 E320 T321 S326 Q327P319-T323 WeakPolarHBondContact O-CB 3.49Å; P319-T323 PolarHBondContact O-N 3.5Å; P319-T323 PolarHBondContact O-OG1 2.87Å; E320-T323 PolarHBondContact O-N 3.43Å; T321-T323 VanDerWaalsContact C-N 3.3Å; T321-T323 PolarHBondContact O-N 3.48Å; T323-S326 PolarHBondContact O-N 3.1Å; T323-Q327 WeakPolarHBondContact O-CB 3.44Å; T323-Q327 VanDerWaalsContact O-CG 3.23Å; T323-Q327 WeakPolarHBondContact O-CG 3.17Å; T323-Q327 PolarHBondContact O-N 3.14Å
324E98.5Very high98.1Very high63 Ų6335.9 Ų35.929%0.29420%0.199SC..Hα-helixtrans-58-52.1175.2-179.2-174.9176.700111.6R292 L296 E320 T321 S326 Q327 V328R292-E324 IonicContact CZ-OE2 2.99Å; R292-E324 VanDerWaalsContact CZ-OE2 3.27Å; R292-E324 IonicContact NE-OE1 3.2Å; R292-E324 IonicContact NE-OE2 2.8Å; R292-E324 PolarHBondContact NE-OE2 3.19Å; R292-E324 IonicContact NH2-OE2 3.31Å; R292-E324 PolarHBondContact NH2-OE2 3.34Å; L296-E324 WeakPolarHBondContact CD1-OE1 3.16Å; E320-E324 WeakPolarHBondContact O-CB 3.44Å; E320-E324 PolarHBondContact O-N 2.9Å; T321-E324 PolarHBondContact O-N 3.2Å; E324-S326 PolarHBondContact O-N 3.1Å; E324-Q327 PolarHBondContact O-N 3.08Å; E324-V328 WeakPolarHBondContact O-CG2 3.06Å; E324-V328 PolarHBondContact O-N 2.86Å
325L98.7Very high98.1Very high0 Ų038.6 Ų38.60%021%0.209CC..Hα-helixtrans-63-42.5-179.2-64.8-173.3000111.8A291 V295 E313 T321 I322 Q327 V328 I329 F336A291-L325 HydrophobicContact CB-CD1 4.18Å; V295-L325 HydrophobicContact CB-CD2 3.77Å; V295-L325 HydrophobicContact CG1-CD2 3.94Å; V295-L325 HydrophobicContact CG2-CD1 4.28Å; V295-L325 HydrophobicContact CG2-CD2 3.94Å; E313-L325 HydrophobicContact CG-CD1 4.35Å; T321-L325 HydrophobicContact CG2-CD1 4.09Å; T321-L325 HydrophobicContact CG2-CG 4.25Å; T321-L325 WeakPolarHBondContact O-CB 3.33Å; T321-L325 VanDerWaalsContact O-CG 3.27Å; T321-L325 WeakPolarHBondContact O-CG 3.24Å; T321-L325 PolarHBondContact O-N 3.44Å; I322-L325 PolarHBondContact O-N 2.93Å; L325-Q327 PolarHBondContact O-N 3.28Å; L325-V328 VanDerWaalsContact O-CG2 3.28Å; L325-V328 WeakPolarHBondContact O-CG2 3.46Å; L325-V328 PolarHBondContact O-N 2.94Å; L325-I329 WeakPolarHBondContact O-CB 3.43Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 3.45Å; L325-F336 HydrophobicContact CB-CE2 3.91Å; L325-F336 HydrophobicContact CB-CZ 4.3Å
326S98.4Very high98.1Very high24 Ų2438.7 Ų38.717%0.16821%0.209CC..Hα-helixtrans-59.5-47.2176.1-177.40000111.6I322 T323 E324 I329 T330I322-S326 WeakPolarHBondContact O-CB 3.44Å; I322-S326 PolarHBondContact O-N 3.25Å; T323-S326 PolarHBondContact O-N 3.1Å; E324-S326 PolarHBondContact O-N 3.1Å; S326-I329 PolarHBondContact O-N 2.97Å; S326-T330 WeakPolarHBondContact O-CB 3.15Å; S326-T330 VanDerWaalsContact O-CG2 3.25Å; S326-T330 WeakPolarHBondContact O-CG2 3.31Å; S326-T330 PolarHBondContact O-N 3.47Å; S326-T330 PolarHBondContact O-OG1 2.89Å
327Q98.3Very high98.1Very high121 Ų12138 Ų3857%0.56521%0.205SC*.Hα-helixtrans-62-47.3179.9-75.2174-400112.4T323 E324 L325 T330 S331T323-Q327 WeakPolarHBondContact O-CB 3.44Å; T323-Q327 VanDerWaalsContact O-CG 3.23Å; T323-Q327 WeakPolarHBondContact O-CG 3.17Å; T323-Q327 PolarHBondContact O-N 3.14Å; E324-Q327 PolarHBondContact O-N 3.08Å; L325-Q327 PolarHBondContact O-N 3.28Å; Q327-T330 PolarHBondContact O-OG1 2.96Å; Q327-T330 VanDerWaalsContact O-OG1 3.07Å; Q327-S331 VanDerWaalsContact O-CB 3.32Å; Q327-S331 WeakPolarHBondContact O-CB 3.36Å; Q327-S331 PolarHBondContact O-N 3.28Å
328V98.4Very high98.1Very high35 Ų3538 Ų3821%0.21221%0.205CC..Hα-helixtrans-68-40.1-178.6-60.70000111.8V295 L296 L302 E324 L325 S331 R332V295-V328 HydrophobicContact CG1-CG2 4.22Å; L296-V328 HydrophobicContact CD2-CB 4.34Å; L296-V328 HydrophobicContact CD2-CG1 4.24Å; L296-V328 HydrophobicContact CD2-CG2 3.92Å; L302-V328 HydrophobicContact CD1-CB 4.09Å; L302-V328 HydrophobicContact CD1-CG2 4.19Å; L302-V328 VanDerWaalsContact CD1-O 3.3Å; L302-V328 WeakPolarHBondContact CD1-O 3.03Å; L302-V328 HydrophobicContact CD2-CB 4.3Å; E324-V328 WeakPolarHBondContact O-CG2 3.06Å; E324-V328 PolarHBondContact O-N 2.86Å; L325-V328 VanDerWaalsContact O-CG2 3.28Å; L325-V328 WeakPolarHBondContact O-CG2 3.46Å; L325-V328 PolarHBondContact O-N 2.94Å; V328-S331 PolarHBondContact O-N 2.85Å; V328-S331 PolarHBondContact O-OG 3.23Å; V328-R332 PolarHBondContact O-N 3.19Å
329I98.6Very high98.2Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-64.4-46.9178.3-67.3-70.2000110.5V295 V301 L302 I305 Y311 L325 S326 S331 R332 G334 F336V295-I329 HydrophobicContact CG1-CD1 4.01Å; V295-I329 HydrophobicContact CG1-CG1 4.44Å; V301-I329 HydrophobicContact CG1-CD1 3.99Å; L302-I329 HydrophobicContact CD1-CD1 4.26Å; I305-I329 HydrophobicContact CD1-CD1 4.19Å; I305-I329 HydrophobicContact CG1-CD1 3.7Å; I305-I329 HydrophobicContact CG2-CG2 4.47Å; Y311-I329 HydrophobicContact CD1-CD1 4.33Å; Y311-I329 HydrophobicContact CD1-CG1 4.28Å; Y311-I329 HydrophobicContact CG-CD1 4.32Å; L325-I329 WeakPolarHBondContact O-CB 3.43Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 3.45Å; S326-I329 PolarHBondContact O-N 2.97Å; I329-S331 VanDerWaalsContact C-N 3.35Å; I329-S331 PolarHBondContact O-N 3.17Å; I329-R332 PolarHBondContact O-N 3.45Å; I329-G334 WeakPolarHBondContact O-CA 3.44Å; I329-G334 PolarHBondContact O-N 3.26Å; I329-F336 HydrophobicContact CB-CD2 4.35Å; I329-F336 HydrophobicContact CG1-CD2 4.23Å; I329-F336 HydrophobicContact CG2-CB 4.28Å
330T97.9Very high98.3Very high69 Ų6937 Ų3742%0.42320%0.199SC..Hα-helixtrans-67.5-33.9179.554.30000112.5S326 Q327 R332 G333 G334 F336S326-T330 WeakPolarHBondContact O-CB 3.15Å; S326-T330 VanDerWaalsContact O-CG2 3.25Å; S326-T330 WeakPolarHBondContact O-CG2 3.31Å; S326-T330 PolarHBondContact O-N 3.47Å; S326-T330 PolarHBondContact O-OG1 2.89Å; Q327-T330 PolarHBondContact O-OG1 2.96Å; Q327-T330 VanDerWaalsContact O-OG1 3.07Å; T330-R332 PolarHBondContact O-N 2.94Å; T330-R332 VanDerWaalsContact O-N 3.13Å; T330-G333 WeakPolarHBondContact O-CA 3.41Å; T330-G333 PolarHBondContact O-N 3.28Å; T330-G334 WeakPolarHBondContact CA-O 3.25Å; T330-F336 HydrophobicContact CG2-CB 4.44Å
331S97.8Very high98.3Very high92 Ų9234.1 Ų34.164%0.64319%0.187SC*.Hα-helixtrans-60.8-21.9174.178.90000113.9Q327 V328 I329Q327-S331 VanDerWaalsContact O-CB 3.32Å; Q327-S331 WeakPolarHBondContact O-CB 3.36Å; Q327-S331 PolarHBondContact O-N 3.28Å; V328-S331 PolarHBondContact O-N 2.85Å; V328-S331 PolarHBondContact O-OG 3.23Å; I329-S331 VanDerWaalsContact C-N 3.35Å; I329-S331 PolarHBondContact O-N 3.17Å
332R97.8Very high98.2Very high135 Ų13535.1 Ų35.151%0.50920%0.195SC..THydrogen-bonded Turntrans-93.96.6174.6-65.9-69.1-170.8149.81.1113.3L302 I305 V328 I329 T330 G334L302-R332 HydrophobicContact CD1-CB 4.41Å; L302-R332 HydrophobicContact CD1-CG 3.57Å; L302-R332 HydrophobicContact CG-CG 4.15Å; I305-R332 HydrophobicContact CB-CB 4.28Å; I305-R332 HydrophobicContact CG2-CB 3.74Å; V328-R332 PolarHBondContact O-N 3.19Å; I329-R332 PolarHBondContact O-N 3.45Å; T330-R332 PolarHBondContact O-N 2.94Å; T330-R332 VanDerWaalsContact O-N 3.13Å; R332-G334 VanDerWaalsContact C-N 3.3Å
333G97.1Very high97.9Very high34 Ų3436.3 Ų36.335%0.35121%0.207SC..THydrogen-bonded Turntrans80.66.7-175.700000114.4P307 G308 T330P307-G333 VanDerWaalsContact CA-O 3.32Å; P307-G333 WeakPolarHBondContact CA-O 3.29Å; G308-G333 PolarHBondContact N-O 3.27Å; T330-G333 WeakPolarHBondContact O-CA 3.41Å; T330-G333 PolarHBondContact O-N 3.28Å
334G98.2Very high97.7Very high6 Ų634.6 Ų34.66%0.06220%0.197CC..  trans-73.6165.617300000112.1K309 I329 T330 R332K309-G334 CarbonylContact O-C 3.18Å; K309-G334 VanDerWaalsContact O-CA 3.29Å; K309-G334 WeakPolarHBondContact O-CA 3.45Å; I329-G334 WeakPolarHBondContact O-CA 3.44Å; I329-G334 PolarHBondContact O-N 3.26Å; T330-G334 WeakPolarHBondContact CA-O 3.25Å; R332-G334 VanDerWaalsContact C-N 3.3Å
335R98.6Very high97.5Very high60 Ų6033.9 Ų33.923%0.22619%0.194CC..EExtended strand (participates in β ladder)trans-113.2139.6174.1-61.6169.662.7-150.7-4.6108.9K309 C310 Y311 D360 T362 V363 D366K309-R335 PolarHBondContact O-N 3.27Å; C310-R335 CarbonylContact C-O 3.57Å; C310-R335 WeakPolarHBondContact CA-O 3.41Å; Y311-R335 PolarHBondContact N-O 2.91Å; R335-D360 IonicContact CZ-OD1 3.8Å; R335-D360 IonicContact CZ-OD2 3.49Å; R335-D360 IonicContact NE-OD2 3.67Å; R335-D360 PolarHBondContact NE-OD2 2.94Å; R335-D360 IonicContact NH2-OD1 2.99Å; R335-D360 PolarHBondContact NH2-OD1 3.34Å; R335-D360 IonicContact NH2-OD2 3.27Å; R335-D360 PolarHBondContact NH2-OD2 3.42Å; R335-T362 PolarHBondContact NH2-OG1 3.4Å; R335-V363 HydrophobicContact CB-CG2 3.57Å; R335-V363 VanDerWaalsContact CZ-CG2 3.42Å; R335-V363 VanDerWaalsContact NH2-CG2 3.27Å; R335-D366 IonicContact NH1-OD2 2.71Å; R335-D366 PolarHBondContact NH1-OD2 3.43Å
336F98.7Very high97.3Very high5 Ų538.6 Ų38.62%0.02222%0.216CC..EExtended strand (participates in β ladder)trans-123.8137.8-170.8-177.1-85.9000111.5Y311 E313 I322 L325 I329 T330 E338 D360Y311-F336 AromaticContact CD1-CD2 3.87Å; Y311-F336 HydrophobicContact CD1-CD2 3.87Å; Y311-F336 AromaticContact CD1-CE2 3.78Å; Y311-F336 HydrophobicContact CD1-CE2 3.78Å; Y311-F336 HydrophobicContact CE1-CE2 4.15Å; Y311-F336 WeakPolarHBondContact O-CA 3.48Å; E313-F336 HydrophobicContact CB-CE2 4.08Å; E313-F336 HydrophobicContact CB-CZ 3.88Å; I322-F336 HydrophobicContact CD1-CZ 4.31Å; I322-F336 HydrophobicContact CG2-CE1 3.83Å; I322-F336 HydrophobicContact CG2-CZ 4.19Å; L325-F336 HydrophobicContact CB-CE2 3.91Å; L325-F336 HydrophobicContact CB-CZ 4.3Å; I329-F336 HydrophobicContact CB-CD2 4.35Å; I329-F336 HydrophobicContact CG1-CD2 4.23Å; I329-F336 HydrophobicContact CG2-CB 4.28Å; T330-F336 HydrophobicContact CG2-CB 4.44Å; F336-E338 HydrophobicContact CE1-CB 4.19Å; F336-D360 WeakPolarHBondContact O-CB 3.17Å; F336-D360 PolarHBondContact O-N 3.2Å
337L98.8Very high97.2Very high0 Ų040.8 Ų40.80%023%0.226CC..EExtended strand (participates in β ladder)trans-137.7131.8170.7-175.476.8000108.1Y311 I312 E313 A357 A358 V363 Y364 F371 F380Y311-L337 PolarHBondContact O-N 2.84Å; Y311-L337 VanDerWaalsContact O-N 3.08Å; I312-L337 CarbonylContact C-O 3.51Å; I312-L337 WeakPolarHBondContact CA-O 3.25Å; I312-L337 HydrophobicContact CG1-CB 4.22Å; I312-L337 HydrophobicContact CG1-CD2 4.27Å; I312-L337 HydrophobicContact CG2-CD2 4.44Å; E313-L337 PolarHBondContact N-O 2.78Å; L337-A357 HydrophobicContact CD1-CB 4.41Å; L337-A357 HydrophobicContact CD2-CB 4.43Å; L337-A358 VanDerWaalsContact CD1-O 3.3Å; L337-A358 WeakPolarHBondContact CD1-O 3.21Å; L337-V363 HydrophobicContact CB-CB 4.28Å; L337-V363 HydrophobicContact CB-CG1 3.89Å; L337-V363 HydrophobicContact CD2-CG1 4.17Å; L337-Y364 HydrophobicContact CD2-CD2 4.44Å; L337-F371 HydrophobicContact CD2-CE2 4.16Å; L337-F371 HydrophobicContact CD2-CZ 3.81Å; L337-F380 HydrophobicContact CD1-CE2 4.14Å
338E98.6Very high97.1Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-87.6139.7160.954165171.200108.7E313 I322 F336 A357 A358 G385 N386 A387 A388E313-E338 CarbonylContact O-C 3.47Å; E313-E338 WeakPolarHBondContact O-CA 3.34Å; I322-E338 HydrophobicContact CD1-CB 3.97Å; I322-E338 HydrophobicContact CG1-CB 4.45Å; I322-E338 HydrophobicContact CG2-CB 4.13Å; I322-E338 HydrophobicContact CG2-CG 4.11Å; F336-E338 HydrophobicContact CE1-CB 4.19Å; E338-A357 CarbonylContact O-C 3.6Å; E338-A357 WeakPolarHBondContact O-CA 3.17Å; E338-A358 HydrophobicContact CG-CB 3.92Å; E338-A358 WeakPolarHBondContact CG-O 3.33Å; E338-A358 PolarHBondContact N-O 3.39Å; E338-A358 PolarHBondContact O-N 2.92Å; E338-A358 WeakPolarHBondContact OE1-CB 3.22Å; E338-G385 VanDerWaalsContact OE1-CA 3.23Å; E338-G385 WeakPolarHBondContact OE1-CA 3.16Å; E338-G385 PolarHBondContact OE1-N 2.92Å; E338-N386 PolarHBondContact OE1-N 2.86Å; E338-N386 VanDerWaalsContact OE1-N 3.07Å; E338-A387 HydrophobicContact CG-CB 3.97Å; E338-A387 PolarHBondContact OE1-N 3.19Å; E338-A388 VanDerWaalsContact OE2-CB 3.29Å; E338-A388 WeakPolarHBondContact OE2-CB 3.32Å; E338-A388 PolarHBondContact OE2-N 3.27Å
339A98.6Very high97Very high0 Ų036 Ų360%020%0.203CC..  trans-145.453.4179.300000112.3I312 E313 M314 I355 L356 A357 F371I312-A339 HydrophobicContact CG2-CB 3.64Å; E313-A339 PolarHBondContact O-N 2.91Å; M314-A339 WeakPolarHBondContact CB-O 3.34Å; M314-A339 WeakPolarHBondContact CE-O 3.31Å; M314-A339 HydrophobicContact CG-CB 4.35Å; A339-I355 HydrophobicContact CB-CG2 4.06Å; A339-L356 CarbonylContact C-O 3.52Å; A339-L356 WeakPolarHBondContact CA-O 3.36Å; A339-A357 HydrophobicContact CB-CB 4.36Å; A339-F371 HydrophobicContact CB-CE1 4.08Å; A339-F371 HydrophobicContact CB-CZ 4.01Å
340P98.5Very high96.8Very high2 Ų239.7 Ų39.71%0.01322%0.223CC..  trans-57.2149.2176.126.4-37000112.2M314 L356 A387 M391M314-P340 WeakPolarHBondContact O-CA 3.38Å; P340-L356 WeakPolarHBondContact CD-O 3.42Å; P340-L356 HydrophobicContact CG-CB 4.44Å; P340-L356 PolarHBondContact O-N 2.91Å; P340-A387 HydrophobicContact CG-CB 3.92Å; P340-M391 HydrophobicContact CB-CB 4.13Å; P340-M391 HydrophobicContact CB-CE 3.85Å; P340-M391 HydrophobicContact CB-CG 4.01Å; P340-M391 HydrophobicContact CG-CB 4.06Å; P340-M391 HydrophobicContact CG-CE 4.36Å; P340-M391 HydrophobicContact CG-CG 4.49Å
341V97.7Very high96.7Very high14 Ų1436.4 Ų36.49%0.08520%0.202CC..EExtended strand (participates in β ladder)trans-115.4134.3-174.9-70.90000112.8M232 M314 L353 V354 I355 M391M232-V341 HydrophobicContact CE-CG2 3.91Å; M314-V341 HydrophobicContact CE-CG1 3.47Å; M314-V341 VanDerWaalsContact CE-CG1 3.47Å; V341-L353 HydrophobicContact CB-CB 4.35Å; V341-L353 HydrophobicContact CB-CD1 4.05Å; V341-L353 HydrophobicContact CG1-CB 4.39Å; V341-L353 HydrophobicContact CG1-CD1 4.07Å; V341-L353 HydrophobicContact CG2-CD1 4.16Å; V341-V354 WeakPolarHBondContact CA-O 3.37Å; V341-I355 HydrophobicContact CG1-CB 4.5Å; V341-I355 HydrophobicContact CG1-CG1 3.88Å; V341-M391 WeakPolarHBondContact O-CE 3.24Å
342A96.1Very high96.6Very high21 Ų2134.3 Ų34.317%0.17418%0.183CC..EExtended strand (participates in β ladder)trans-99.7129.6170.300000109.3V354 M391A342-V354 HydrophobicContact CB-CB 4.24Å; A342-V354 PolarHBondContact N-O 2.9Å; A342-V354 PolarHBondContact O-N 3.37Å; A342-M391 HydrophobicContact CB-CE 3.9Å; A342-M391 HydrophobicContact CB-SD 4.26Å
343G93.4Very high96.5Very high25 Ų2527.9 Ų27.926%0.25816%0.159SC..SBendtrans150.9-175.8-176.900000111
344S93.1Very high96.5Very high20 Ų2028.4 Ų28.414%0.1416%0.155CC..  trans-117.3176.3179.3760000111.6Q346 L347 S348 D451S344-Q346 PolarHBondContact O-N 2.88Å; S344-L347 PolarHBondContact O-N 3.43Å; S344-S348 WeakPolarHBondContact O-CB 3.24Å; S344-S348 PolarHBondContact O-N 2.95Å; S344-D451 VanDerWaalsContact CB-OD1 3.28Å; S344-D451 WeakPolarHBondContact CB-OD1 3.3Å; S344-D451 WeakPolarHBondContact CB-OD2 3.4Å; S344-D451 VanDerWaalsContact OG-CG 3.24Å; S344-D451 PolarHBondContact OG-OD1 3.05Å; S344-D451 VanDerWaalsContact OG-OD1 3.1Å; S344-D451 PolarHBondContact OG-OD2 2.85Å
345Q95.1Very high96.5Very high49 Ų4928.1 Ų28.123%0.22915%0.152CC..Hα-helixtrans-53.8-45.8175.4-172-17933.300111.1L231 L347 S348 N349 P450 D451L231-Q345 HydrophobicContact CD1-CB 4.2Å; L231-Q345 HydrophobicContact CD1-CG 3.99Å; L231-Q345 VanDerWaalsContact CD1-NE2 3.33Å; L231-Q345 HydrophobicContact CD2-CB 4.18Å; L231-Q345 HydrophobicContact CG-CB 3.84Å; L231-Q345 HydrophobicContact CG-CG 3.91Å; Q345-L347 PolarHBondContact O-N 2.92Å; Q345-S348 WeakPolarHBondContact O-CB 3.44Å; Q345-S348 PolarHBondContact O-N 3.34Å; Q345-S348 VanDerWaalsContact O-N 3.17Å; Q345-N349 VanDerWaalsContact O-CG 3.23Å; Q345-N349 PolarHBondContact O-N 2.88Å; Q345-N349 PolarHBondContact O-ND2 3.15Å; Q345-P450 PolarHBondContact OE1-O 3.04Å; Q345-D451 WeakPolarHBondContact CA-OD1 3.49Å; Q345-D451 VanDerWaalsContact CB-OD1 3.29Å; Q345-D451 WeakPolarHBondContact CB-OD1 3.34Å; Q345-D451 PolarHBondContact N-O 3.33Å; Q345-D451 PolarHBondContact N-OD1 3.49Å
346Q93.9Very high96.5Very high99 Ų9925.6 Ų25.646%0.46314%0.143SC..Hα-helixtrans-60-47.4179-174.257.350.400111.5S344 S348 N349 D350 D451S344-Q346 PolarHBondContact O-N 2.88Å; Q346-S348 VanDerWaalsContact C-N 3.26Å; Q346-S348 PolarHBondContact O-N 2.76Å; Q346-N349 WeakPolarHBondContact O-CB 3.49Å; Q346-N349 PolarHBondContact O-N 2.83Å; Q346-N349 VanDerWaalsContact O-N 3.13Å; Q346-D350 PolarHBondContact NE2-OD1 3.1Å; Q346-D350 PolarHBondContact NE2-OD2 2.93Å; Q346-D350 WeakPolarHBondContact O-CB 3.28Å; Q346-D350 PolarHBondContact O-N 3.31Å; Q346-D451 PolarHBondContact N-OD1 3.45Å
347L95.5Very high96.5Very high69 Ų6925.4 Ų25.436%0.36114%0.142SC..Hα-helixtrans-64.4-31.9177.2-65.4175.4000112.5S344 Q345 D350 G351 M352 L353S344-L347 PolarHBondContact O-N 3.43Å; Q345-L347 PolarHBondContact O-N 2.92Å; L347-D350 PolarHBondContact O-N 3.12Å; L347-G351 PolarHBondContact O-N 3.11Å; L347-M352 HydrophobicContact CB-CB 4.39Å; L347-M352 HydrophobicContact CD2-CB 3.86Å; L347-M352 PolarHBondContact O-N 3.14Å; L347-L353 HydrophobicContact CB-CD2 4.14Å
348S97.1Very high96.5Very high0 Ų025.4 Ų25.40%014%0.142CC..Hα-helixtrans-67-40173.5-170.80000112.3M232 G235 I236 N239 S344 Q345 Q346 D350M232-S348 PolarHBondContact O-OG 3.11Å; G235-S348 CarbonylContact C-O 3.45Å; I236-S348 PolarHBondContact N-OG 3.31Å; N239-S348 PolarHBondContact ND2-O 3.34Å; S344-S348 WeakPolarHBondContact O-CB 3.24Å; S344-S348 PolarHBondContact O-N 2.95Å; Q345-S348 WeakPolarHBondContact O-CB 3.44Å; Q345-S348 PolarHBondContact O-N 3.34Å; Q345-S348 VanDerWaalsContact O-N 3.17Å; Q346-S348 VanDerWaalsContact C-N 3.26Å; Q346-S348 PolarHBondContact O-N 2.76Å; S348-D350 VanDerWaalsContact C-N 3.3Å
349N95.9Very high96.4Very high56 Ų5626.5 Ų26.530%0.29915%0.153SC..Hα-helixtrans-67.5-35.7176.5-65.9-23000111G235 N239 Q345 Q346 G351G235-N349 WeakPolarHBondContact CA-OD1 3.38Å; N239-N349 PolarHBondContact ND2-O 3.37Å; N239-N349 PolarHBondContact OD1-O 3.35Å; Q345-N349 VanDerWaalsContact O-CG 3.23Å; Q345-N349 PolarHBondContact O-N 2.88Å; Q345-N349 PolarHBondContact O-ND2 3.15Å; Q346-N349 WeakPolarHBondContact O-CB 3.49Å; Q346-N349 PolarHBondContact O-N 2.83Å; Q346-N349 VanDerWaalsContact O-N 3.13Å; N349-G351 VanDerWaalsContact C-N 3.33Å
350D94.6Very high96.4Very high78 Ų7828.6 Ų28.642%0.41717%0.165SC..THydrogen-bonded Turntrans-83.5-4.9-177.2-63.9-22.8000113.9Q346 L347 S348 M352Q346-D350 PolarHBondContact NE2-OD1 3.1Å; Q346-D350 PolarHBondContact NE2-OD2 2.93Å; Q346-D350 WeakPolarHBondContact O-CB 3.28Å; Q346-D350 PolarHBondContact O-N 3.31Å; L347-D350 PolarHBondContact O-N 3.12Å; S348-D350 VanDerWaalsContact C-N 3.3Å; D350-M352 VanDerWaalsContact C-N 3.34Å; D350-M352 HydrophobicContact CB-CB 4.41Å; D350-M352 HydrophobicContact CB-CG 3.93Å
351G95.4Very high96.2Very high0 Ų032.5 Ų32.50%018%0.179CC..THydrogen-bonded Turntrans68.932.9-176.600000112.8N239 L347 N349 M374 G375 K376N239-G351 PolarHBondContact ND2-N 3.29Å; L347-G351 PolarHBondContact O-N 3.11Å; N349-G351 VanDerWaalsContact C-N 3.33Å; G351-M374 CarbonylContact C-O 3.55Å; G351-M374 VanDerWaalsContact C-O 3.28Å; G351-M374 WeakPolarHBondContact CA-O 3.31Å; G351-M374 CarbonylContact O-C 3.48Å; G351-G375 CarbonylContact O-C 3.58Å; G351-G375 PolarHBondContact O-N 2.82Å; G351-K376 PolarHBondContact O-N 3.03Å
352M95.6Very high96.1Very high47 Ų4735.3 Ų35.323%0.23220%0.196CC..  trans-115.920.3-170.9-67.1-66.6159.100113.4A212 I213 L347 D350 K376A212-M352 HydrophobicContact CB-CE 3.96Å; I213-M352 HydrophobicContact CD1-CE 3.89Å; I213-M352 HydrophobicContact CG1-CE 3.84Å; L347-M352 HydrophobicContact CB-CB 4.39Å; L347-M352 HydrophobicContact CD2-CB 3.86Å; L347-M352 PolarHBondContact O-N 3.14Å; D350-M352 VanDerWaalsContact C-N 3.34Å; D350-M352 HydrophobicContact CB-CB 4.41Å; D350-M352 HydrophobicContact CB-CG 3.93Å; M352-K376 HydrophobicContact CB-CB 4.5Å; M352-K376 HydrophobicContact SD-CB 4.15Å; M352-K376 HydrophobicContact SD-CG 4.5Å
353L96.6Very high96.1Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-66.8153179.1-60.7175.3000112.4M232 I236 V341 L347 M374 G375 K376M232-L353 HydrophobicContact CE-CD1 4.15Å; M232-L353 HydrophobicContact CE-CD2 3.49Å; M232-L353 VanDerWaalsContact CE-CD2 3.49Å; M232-L353 HydrophobicContact CE-CG 4.49Å; I236-L353 HydrophobicContact CD1-CD1 4.06Å; I236-L353 HydrophobicContact CG1-CD1 3.84Å; V341-L353 HydrophobicContact CB-CB 4.35Å; V341-L353 HydrophobicContact CB-CD1 4.05Å; V341-L353 HydrophobicContact CG1-CB 4.39Å; V341-L353 HydrophobicContact CG1-CD1 4.07Å; V341-L353 HydrophobicContact CG2-CD1 4.16Å; L347-L353 HydrophobicContact CB-CD2 4.14Å; L353-M374 WeakPolarHBondContact CB-O 3.36Å; L353-M374 PolarHBondContact N-O 2.89Å; L353-G375 CarbonylContact O-C 3.57Å; L353-G375 WeakPolarHBondContact O-CA 3.48Å; L353-K376 PolarHBondContact O-N 3.4Å
354V97.2Very high96.3Very high45 Ų4533.1 Ų33.127%0.27318%0.176SC..EExtended strand (participates in β ladder)trans-98.3118.1165.2176.90000107.7V341 A342 L356 T377 F379V341-V354 WeakPolarHBondContact CA-O 3.37Å; A342-V354 HydrophobicContact CB-CB 4.24Å; A342-V354 PolarHBondContact N-O 2.9Å; A342-V354 PolarHBondContact O-N 3.37Å; V354-L356 HydrophobicContact CG1-CD2 4.16Å; V354-T377 HydrophobicContact CB-CG2 4.33Å; V354-T377 HydrophobicContact CG1-CG2 3.97Å; V354-T377 HydrophobicContact CG2-CG2 3.99Å; V354-F379 HydrophobicContact CG1-CD2 4.01Å; V354-F379 HydrophobicContact CG1-CE2 3.83Å
355I98.5Very high96.3Very high0 Ų036.7 Ų36.70%019%0.191CC..EExtended strand (participates in β ladder)trans-97.7127.1-177.3-58.1149.4000108.7A339 V341 F371 M374 T377 S378 F379A339-I355 HydrophobicContact CB-CG2 4.06Å; V341-I355 HydrophobicContact CG1-CB 4.5Å; V341-I355 HydrophobicContact CG1-CG1 3.88Å; I355-F371 HydrophobicContact CD1-CB 3.62Å; I355-F371 HydrophobicContact CD1-CD1 3.7Å; I355-F371 HydrophobicContact CD1-CG 3.88Å; I355-F371 WeakPolarHBondContact CD1-O 3.36Å; I355-F371 HydrophobicContact CG1-CD1 4.49Å; I355-F371 HydrophobicContact CG2-CD1 4.11Å; I355-F371 HydrophobicContact CG2-CE1 4.04Å; I355-F371 HydrophobicContact CG2-CZ 4.43Å; I355-M374 HydrophobicContact CD1-CG 3.87Å; I355-M374 HydrophobicContact CD1-SD 4.37Å; I355-T377 PolarHBondContact N-O 2.82Å; I355-S378 CarbonylContact O-C 3.28Å; I355-S378 VanDerWaalsContact O-CA 3.32Å; I355-S378 WeakPolarHBondContact O-CA 3.16Å; I355-F379 PolarHBondContact O-N 3.48Å
356L98.3Very high96.3Very high8 Ų836.6 Ų36.64%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-107.5111.2173.1-54.3-173.6000107.5A339 P340 V354 F379 L381 A387 M390 M391 L394A339-L356 CarbonylContact C-O 3.52Å; A339-L356 WeakPolarHBondContact CA-O 3.36Å; P340-L356 WeakPolarHBondContact CD-O 3.42Å; P340-L356 HydrophobicContact CG-CB 4.44Å; P340-L356 PolarHBondContact O-N 2.91Å; V354-L356 HydrophobicContact CG1-CD2 4.16Å; L356-F379 HydrophobicContact CD2-CB 4.25Å; L356-F379 HydrophobicContact CD2-CD2 3.95Å; L356-F379 HydrophobicContact CD2-CG 4.43Å; L356-L381 HydrophobicContact CB-CD1 3.96Å; L356-L381 HydrophobicContact CD2-CD1 4.48Å; L356-A387 HydrophobicContact CB-CB 4.07Å; L356-A387 VanDerWaalsContact O-CB 3.29Å; L356-A387 WeakPolarHBondContact O-CB 3.38Å; L356-M390 HydrophobicContact CD1-CB 4.07Å; L356-M390 HydrophobicContact CD1-CG 3.75Å; L356-M391 HydrophobicContact CD1-CB 4.34Å; L356-M391 HydrophobicContact CD1-CE 3.76Å; L356-M391 HydrophobicContact CG-CE 4.06Å; L356-L394 HydrophobicContact CD1-CD1 3.75Å
357A98.3Very high96.5Very high0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-114.8144.5-174.900000112.3L337 E338 A339 Y364 F379 F380 L381L337-A357 HydrophobicContact CD1-CB 4.41Å; L337-A357 HydrophobicContact CD2-CB 4.43Å; E338-A357 CarbonylContact O-C 3.6Å; E338-A357 WeakPolarHBondContact O-CA 3.17Å; A339-A357 HydrophobicContact CB-CB 4.36Å; A357-Y364 HydrophobicContact CB-CD2 3.41Å; A357-Y364 VanDerWaalsContact CB-CD2 3.41Å; A357-Y364 HydrophobicContact CB-CE2 3.6Å; A357-F379 WeakPolarHBondContact CA-O 3.43Å; A357-F379 PolarHBondContact N-O 2.83Å; A357-F380 HydrophobicContact CB-CD2 4.49Å; A357-F380 CarbonylContact O-C 3.42Å; A357-F380 WeakPolarHBondContact O-CA 3.34Å; A357-L381 PolarHBondContact O-N 3.34Å
358A98.1Very high96.3Very high0 Ų030.3 Ų30.30%016%0.164CC..EExtended strand (participates in β ladder)trans-157.4152.1174.300000111.2L337 E338 L381 G382 E383 N386 A387L337-A358 VanDerWaalsContact CD1-O 3.3Å; L337-A358 WeakPolarHBondContact CD1-O 3.21Å; E338-A358 HydrophobicContact CG-CB 3.92Å; E338-A358 WeakPolarHBondContact CG-O 3.33Å; E338-A358 PolarHBondContact N-O 3.39Å; E338-A358 PolarHBondContact O-N 2.92Å; E338-A358 WeakPolarHBondContact OE1-CB 3.22Å; A358-L381 HydrophobicContact CB-CB 4.31Å; A358-G382 CarbonylContact C-O 3.51Å; A358-G382 WeakPolarHBondContact CA-O 3.41Å; A358-G382 WeakPolarHBondContact CB-O 3.46Å; A358-E383 WeakPolarHBondContact CB-O 3.38Å; A358-N386 HydrophobicContact CB-CB 4.3Å; A358-A387 HydrophobicContact CB-CB 3.87Å
359G97.5Very high96.2Very high23 Ų2331.1 Ų31.124%0.23717%0.17CC..EExtended strand (participates in β ladder)trans120-131.2-174.300000112.6R361 F380 G382G359-R361 PolarHBondContact O-N 3.49Å; G359-R361 VanDerWaalsContact O-N 3.15Å; G359-F380 WeakPolarHBondContact O-CZ 3.24Å; G359-G382 PolarHBondContact N-O 2.88Å
360D97Very high96.3Very high45 Ų4528.4 Ų28.424%0.24116%0.155CC..  trans-70.2109.9-178.1-174.9-36000111.5R335 F336 T362 V363 Y364R335-D360 IonicContact CZ-OD1 3.8Å; R335-D360 IonicContact CZ-OD2 3.49Å; R335-D360 IonicContact NE-OD2 3.67Å; R335-D360 PolarHBondContact NE-OD2 2.94Å; R335-D360 IonicContact NH2-OD1 2.99Å; R335-D360 PolarHBondContact NH2-OD1 3.34Å; R335-D360 IonicContact NH2-OD2 3.27Å; R335-D360 PolarHBondContact NH2-OD2 3.42Å; F336-D360 WeakPolarHBondContact O-CB 3.17Å; F336-D360 PolarHBondContact O-N 3.2Å; D360-T362 VanDerWaalsContact C-N 3.26Å; D360-T362 PolarHBondContact O-N 2.96Å; D360-T362 WeakPolarHBondContact OD1-CA 2.98Å; D360-T362 PolarHBondContact OD1-N 3.19Å; D360-T362 PolarHBondContact OD1-OG1 3.15Å; D360-V363 HydrophobicContact CB-CB 4.11Å; D360-V363 HydrophobicContact CB-CG2 3.75Å; D360-V363 PolarHBondContact O-N 3.39Å; D360-V363 VanDerWaalsContact O-N 3.11Å; D360-V363 PolarHBondContact OD1-N 3.46Å; D360-V363 VanDerWaalsContact OD1-N 3.1Å; D360-Y364 PolarHBondContact O-N 3.11Å; D360-Y364 VanDerWaalsContact O-N 3.09Å
361R95.1Very high96.4Very high84 Ų8424.8 Ų24.832%0.31714%0.136SC..Hα-helixtrans-56.5-38179.8177.555.2177.3-122.45.1113.6T203 G359 V363 Y364 E365 F380T203-R361 VanDerWaalsContact OG1-CZ 3.23Å; T203-R361 PolarHBondContact OG1-NH1 3Å; T203-R361 PolarHBondContact OG1-NH2 3.22Å; G359-R361 PolarHBondContact O-N 3.49Å; G359-R361 VanDerWaalsContact O-N 3.15Å; R361-V363 VanDerWaalsContact C-N 3.35Å; R361-Y364 WeakPolarHBondContact O-CB 3.38Å; R361-Y364 PolarHBondContact O-N 2.94Å; R361-E365 IonicContact CZ-OE1 3.69Å; R361-E365 IonicContact NE-OE1 2.83Å; R361-E365 PolarHBondContact NE-OE1 3.18Å; R361-E365 IonicContact NH2-OE1 3.68Å; R361-E365 WeakPolarHBondContact O-CG 3.17Å; R361-E365 PolarHBondContact O-N 2.94Å; R361-E365 VanDerWaalsContact O-N 3.08Å; R361-F380 HydrophobicContact CB-CE1 4.25Å; R361-F380 HydrophobicContact CB-CE2 4.38Å; R361-F380 HydrophobicContact CB-CZ 3.79Å; R361-F380 HydrophobicContact CG-CZ 4.42Å
362T95.6Very high96.3Very high72 Ų7226.9 Ų26.944%0.44215%0.146SC..Hα-helixtrans-75.7-27.3-17844.60000111.4R335 D360 D366R335-T362 PolarHBondContact NH2-OG1 3.4Å; D360-T362 VanDerWaalsContact C-N 3.26Å; D360-T362 PolarHBondContact O-N 2.96Å; D360-T362 WeakPolarHBondContact OD1-CA 2.98Å; D360-T362 PolarHBondContact OD1-N 3.19Å; D360-T362 PolarHBondContact OD1-OG1 3.15Å; T362-D366 WeakPolarHBondContact O-CB 3.41Å; T362-D366 VanDerWaalsContact O-CG 3.31Å; T362-D366 PolarHBondContact O-N 3.1Å
363V96.9Very high96.2Very high0 Ų024.7 Ų24.70%014%0.135CC..Hα-helixtrans-68.9-40.8169.9177.30000109.9C310 I312 R335 L337 D360 R361 E365 D366 C367C310-V363 HydrophobicContact CB-CG1 4.08Å; C310-V363 HydrophobicContact CB-CG2 4.23Å; I312-V363 HydrophobicContact CD1-CG1 3.63Å; I312-V363 HydrophobicContact CG1-CG1 4.05Å; R335-V363 HydrophobicContact CB-CG2 3.57Å; R335-V363 VanDerWaalsContact CZ-CG2 3.42Å; R335-V363 VanDerWaalsContact NH2-CG2 3.27Å; L337-V363 HydrophobicContact CB-CB 4.28Å; L337-V363 HydrophobicContact CB-CG1 3.89Å; L337-V363 HydrophobicContact CD2-CG1 4.17Å; D360-V363 HydrophobicContact CB-CB 4.11Å; D360-V363 HydrophobicContact CB-CG2 3.75Å; D360-V363 PolarHBondContact O-N 3.39Å; D360-V363 VanDerWaalsContact O-N 3.11Å; D360-V363 PolarHBondContact OD1-N 3.46Å; D360-V363 VanDerWaalsContact OD1-N 3.1Å; R361-V363 VanDerWaalsContact C-N 3.35Å; V363-E365 VanDerWaalsContact C-N 3.29Å; V363-E365 PolarHBondContact O-N 3.35Å; V363-D366 PolarHBondContact O-N 2.92Å; V363-C367 WeakPolarHBondContact O-CB 3.3Å; V363-C367 PolarHBondContact O-N 3.16Å; V363-C367 PolarHBondContact O-SG 2.99Å
364Y96.6Very high96.2Very high0 Ų024.7 Ų24.70%014%0.135CC..Hα-helixtrans-57.6-43.1175.6172.9-104.6000111.9I205 L337 A357 D360 R361 C367 F371 S378 F380I205-Y364 WeakPolarHBondContact CB-OH 3.45Å; I205-Y364 HydrophobicContact CD1-CD1 3.98Å; I205-Y364 HydrophobicContact CD1-CE1 3.24Å; I205-Y364 HydrophobicContact CG1-CE1 3.63Å; I205-Y364 WeakPolarHBondContact CG1-OH 3.19Å; I205-Y364 PolarHBondContact N-OH 3.44Å; L337-Y364 HydrophobicContact CD2-CD2 4.44Å; A357-Y364 HydrophobicContact CB-CD2 3.41Å; A357-Y364 VanDerWaalsContact CB-CD2 3.41Å; A357-Y364 HydrophobicContact CB-CE2 3.6Å; D360-Y364 PolarHBondContact O-N 3.11Å; D360-Y364 VanDerWaalsContact O-N 3.09Å; R361-Y364 WeakPolarHBondContact O-CB 3.38Å; R361-Y364 PolarHBondContact O-N 2.94Å; Y364-C367 PolarHBondContact O-N 2.81Å; Y364-F371 HydrophobicContact CD2-CD2 4.09Å; Y364-F371 AromaticContact CD2-CE2 3.49Å; Y364-F371 HydrophobicContact CD2-CE2 3.49Å; Y364-F371 VanDerWaalsContact CD2-CE2 3.49Å; Y364-F371 HydrophobicContact CD2-CZ 4.45Å; Y364-F371 HydrophobicContact CE2-CD2 4.03Å; Y364-F371 AromaticContact CE2-CE2 3.85Å; Y364-F371 HydrophobicContact CE2-CE2 3.85Å; Y364-F371 HydrophobicContact CG-CE2 4.42Å; Y364-S378 PolarHBondContact OH-O 2.81Å; Y364-S378 PolarHBondContact OH-OG 2.92Å; Y364-F380 HydrophobicContact CD1-CB 4.09Å; Y364-F380 AromaticContact CD1-CD2 3.69Å; Y364-F380 HydrophobicContact CD1-CD2 3.69Å; Y364-F380 HydrophobicContact CD1-CE2 4.46Å; Y364-F380 HydrophobicContact CD1-CG 4.1Å; Y364-F380 AromaticContact CD2-CD2 3.9Å; Y364-F380 HydrophobicContact CD2-CD2 3.9Å; Y364-F380 HydrophobicContact CE1-CB 3.73Å; Y364-F380 HydrophobicContact CE1-CD2 4.19Å; Y364-F380 HydrophobicContact CE1-CG 4.25Å; Y364-F380 HydrophobicContact CE2-CB 4.36Å; Y364-F380 HydrophobicContact CE2-CD2 4.42Å; Y364-F380 AromaticContact CG-CD2 3.51Å; Y364-F380 HydrophobicContact CG-CD2 3.51Å; Y364-F380 HydrophobicContact CG-CE2 4.14Å; Y364-F380 HydrophobicContact CG-CG 4.35Å
365E94.2Very high96Very high96 Ų9622.8 Ų22.845%0.44912%0.124SC..Hα-helixtrans-68.6-41.9176-70.4168.3-174.300112.4R361 V363 C367 S368R361-E365 IonicContact CZ-OE1 3.69Å; R361-E365 IonicContact NE-OE1 2.83Å; R361-E365 PolarHBondContact NE-OE1 3.18Å; R361-E365 IonicContact NH2-OE1 3.68Å; R361-E365 WeakPolarHBondContact O-CG 3.17Å; R361-E365 PolarHBondContact O-N 2.94Å; R361-E365 VanDerWaalsContact O-N 3.08Å; V363-E365 VanDerWaalsContact C-N 3.29Å; V363-E365 PolarHBondContact O-N 3.35Å; E365-C367 PolarHBondContact O-N 3.33Å; E365-S368 WeakPolarHBondContact O-CB 3.39Å; E365-S368 PolarHBondContact O-N 3.18Å; E365-S368 VanDerWaalsContact O-N 3.08Å
366D94.7Very high95.7Very high46 Ų4628.8 Ų28.825%0.24615%0.15CC..Hα-helixtrans-59.1-28.8173.8-81.9-39000112.7K222 I280 R335 T362 V363 S368K222-D366 IonicContact NZ-OD1 3.89Å; K222-D366 PolarHBondContact NZ-OD1 3.01Å; K222-D366 IonicContact NZ-OD2 2.91Å; I280-D366 HydrophobicContact CD1-CB 4.2Å; R335-D366 IonicContact NH1-OD2 2.71Å; R335-D366 PolarHBondContact NH1-OD2 3.43Å; T362-D366 WeakPolarHBondContact O-CB 3.41Å; T362-D366 VanDerWaalsContact O-CG 3.31Å; T362-D366 PolarHBondContact O-N 3.1Å; V363-D366 PolarHBondContact O-N 2.92Å; D366-S368 VanDerWaalsContact C-N 3.34Å
367C96.9Very high95.2Very high0 Ų029.7 Ų29.70%016%0.156CC..THydrogen-bonded Turntrans-86.43.4178.9-66.20000114F282 V363 Y364 E365 S369 C370 F371F282-C367 HydrophobicContact CZ-CB 4.42Å; V363-C367 WeakPolarHBondContact O-CB 3.3Å; V363-C367 PolarHBondContact O-N 3.16Å; V363-C367 PolarHBondContact O-SG 2.99Å; Y364-C367 PolarHBondContact O-N 2.81Å; E365-C367 PolarHBondContact O-N 3.33Å; C367-S369 PolarHBondContact O-N 3.45Å; C367-C370 WeakPolarHBondContact O-CA 3.14Å; C367-C370 WeakPolarHBondContact O-CB 3.49Å; C367-C370 PolarHBondContact O-N 3.28Å; C367-F371 HydrophobicContact CB-CD1 4.49Å; C367-F371 HydrophobicContact CB-CD2 3.79Å; C367-F371 HydrophobicContact CB-CE1 4.19Å; C367-F371 HydrophobicContact CB-CE2 3.4Å; C367-F371 HydrophobicContact CB-CG 4.32Å; C367-F371 HydrophobicContact CB-CZ 3.63Å; C367-F371 PolarHBondContact O-N 2.97Å
368S93.1Very high95Very high37 Ų3729.8 Ų29.826%0.25916%0.157SC..Hα-helixtrans-50.9-51.7-172.1179.80000113.8E365 D366 C370 F371 Q372E365-S368 WeakPolarHBondContact O-CB 3.39Å; E365-S368 PolarHBondContact O-N 3.18Å; E365-S368 VanDerWaalsContact O-N 3.08Å; D366-S368 VanDerWaalsContact C-N 3.34Å; S368-C370 VanDerWaalsContact C-N 3.33Å; S368-C370 PolarHBondContact O-N 3.42Å; S368-F371 PolarHBondContact O-N 3.4Å; S368-Q372 VanDerWaalsContact O-CG 3.27Å; S368-Q372 WeakPolarHBondContact O-CG 3.44Å; S368-Q372 PolarHBondContact O-N 3.21Å
369S94.9Very high94.8Very high16 Ų1633.2 Ų33.211%0.11217%0.172CC..Hα-helixtrans-67.2-32.2178.946.90000113T218 T220 H245 C367 A373T218-S369 WeakPolarHBondContact O-CB 3.17Å; T220-S369 PolarHBondContact N-OG 3.23Å; H245-S369 PolarHBondContact CE1-OG 2.87Å; C367-S369 PolarHBondContact O-N 3.45Å; S369-A373 WeakPolarHBondContact O-CB 3.48Å; S369-A373 PolarHBondContact O-N 3.07Å
370C97.4Very high94.8Very high0 Ų032.9 Ų32.90%016%0.164CC..Hα-helixtrans-66.5-45.4174.4-61.60000111.1L240 F282 C367 S368 A373 M374L240-C370 HydrophobicContact CD2-CB 3.72Å; F282-C370 HydrophobicContact CE2-CB 4.23Å; F282-C370 HydrophobicContact CZ-CB 3.77Å; C367-C370 WeakPolarHBondContact O-CA 3.14Å; C367-C370 WeakPolarHBondContact O-CB 3.49Å; C367-C370 PolarHBondContact O-N 3.28Å; S368-C370 VanDerWaalsContact C-N 3.33Å; S368-C370 PolarHBondContact O-N 3.42Å; C370-A373 WeakPolarHBondContact O-CB 3.45Å; C370-A373 PolarHBondContact O-N 2.92Å; C370-M374 HydrophobicContact CB-CE 4.19Å; C370-M374 WeakPolarHBondContact O-CE 3.48Å; C370-M374 WeakPolarHBondContact O-CG 3.44Å; C370-M374 PolarHBondContact O-N 3.39Å; C370-M374 VanDerWaalsContact O-N 3.15Å
371F96.9Very high94.7Very high2 Ų232.6 Ų32.61%0.00916%0.162CC..Hα-helixtrans-66.5-36.3178-68.3-29.3000112.7F282 L337 A339 I355 Y364 C367 S368 A373 M374 G375F282-F371 AromaticContact CE1-CE1 3.98Å; F282-F371 HydrophobicContact CE1-CE1 3.98Å; L337-F371 HydrophobicContact CD2-CE2 4.16Å; L337-F371 HydrophobicContact CD2-CZ 3.81Å; A339-F371 HydrophobicContact CB-CE1 4.08Å; A339-F371 HydrophobicContact CB-CZ 4.01Å; I355-F371 HydrophobicContact CD1-CB 3.62Å; I355-F371 HydrophobicContact CD1-CD1 3.7Å; I355-F371 HydrophobicContact CD1-CG 3.88Å; I355-F371 WeakPolarHBondContact CD1-O 3.36Å; I355-F371 HydrophobicContact CG1-CD1 4.49Å; I355-F371 HydrophobicContact CG2-CD1 4.11Å; I355-F371 HydrophobicContact CG2-CE1 4.04Å; I355-F371 HydrophobicContact CG2-CZ 4.43Å; Y364-F371 HydrophobicContact CD2-CD2 4.09Å; Y364-F371 AromaticContact CD2-CE2 3.49Å; Y364-F371 HydrophobicContact CD2-CE2 3.49Å; Y364-F371 VanDerWaalsContact CD2-CE2 3.49Å; Y364-F371 HydrophobicContact CD2-CZ 4.45Å; Y364-F371 HydrophobicContact CE2-CD2 4.03Å; Y364-F371 AromaticContact CE2-CE2 3.85Å; Y364-F371 HydrophobicContact CE2-CE2 3.85Å; Y364-F371 HydrophobicContact CG-CE2 4.42Å; C367-F371 HydrophobicContact CB-CD1 4.49Å; C367-F371 HydrophobicContact CB-CD2 3.79Å; C367-F371 HydrophobicContact CB-CE1 4.19Å; C367-F371 HydrophobicContact CB-CE2 3.4Å; C367-F371 HydrophobicContact CB-CG 4.32Å; C367-F371 HydrophobicContact CB-CZ 3.63Å; C367-F371 PolarHBondContact O-N 2.97Å; S368-F371 PolarHBondContact O-N 3.4Å; F371-A373 VanDerWaalsContact C-N 3.3Å; F371-A373 PolarHBondContact O-N 3.13Å; F371-M374 HydrophobicContact CD1-CE 4.41Å; F371-M374 HydrophobicContact CD1-SD 4.19Å; F371-G375 WeakPolarHBondContact O-CA 3.42Å; F371-G375 PolarHBondContact O-N 2.51Å
372Q92.7Very high94.7Very high44 Ų4430 Ų3021%0.20616%0.162CC..Hα-helixtrans-66.5-30.9172.6-71.3172.6-9.800112.9A207 I217 S368A207-Q372 HydrophobicContact CB-CG 3.97Å; I217-Q372 VanDerWaalsContact CD1-C 3.45Å; I217-Q372 HydrophobicContact CD1-CB 3.49Å; I217-Q372 VanDerWaalsContact CD1-CB 3.49Å; I217-Q372 WeakPolarHBondContact CD1-O 3.29Å; I217-Q372 HydrophobicContact CG1-CB 4.14Å; S368-Q372 VanDerWaalsContact O-CG 3.27Å; S368-Q372 WeakPolarHBondContact O-CG 3.44Å; S368-Q372 PolarHBondContact O-N 3.21Å
373A94.8Very high94.6Very high1 Ų134 Ų341%0.00818%0.176CC..Hα-helixtrans-72.5-41.2177.600000112.1I217 N239 L240 M243 S369 C370 F371I217-A373 HydrophobicContact CD1-CB 4.35Å; N239-A373 WeakPolarHBondContact CB-O 3.36Å; L240-A373 HydrophobicContact CD2-CB 4.21Å; M243-A373 HydrophobicContact CB-CB 3.92Å; M243-A373 HydrophobicContact CG-CB 3.6Å; S369-A373 WeakPolarHBondContact O-CB 3.48Å; S369-A373 PolarHBondContact O-N 3.07Å; C370-A373 WeakPolarHBondContact O-CB 3.45Å; C370-A373 PolarHBondContact O-N 2.92Å; F371-A373 VanDerWaalsContact C-N 3.3Å; F371-A373 PolarHBondContact O-N 3.13Å
374M95.4Very high94.6Very high0 Ų035.3 Ų35.30%019%0.186CC..Hα-helixtrans-95.4-15.1-174.872.5-178.171.500114.5I236 L240 F282 M314 G351 L353 I355 C370 F371I236-M374 HydrophobicContact CG1-CB 4.41Å; I236-M374 HydrophobicContact CG2-CB 3.92Å; I236-M374 HydrophobicContact CG2-CE 3.59Å; I236-M374 HydrophobicContact CG2-CG 4.43Å; I236-M374 HydrophobicContact CG2-SD 3.7Å; L240-M374 HydrophobicContact CD1-CE 4.2Å; L240-M374 HydrophobicContact CD2-CE 3.99Å; L240-M374 HydrophobicContact CG-CE 4.31Å; F282-M374 HydrophobicContact CE1-CE 4.32Å; F282-M374 HydrophobicContact CZ-CE 4.47Å; M314-M374 HydrophobicContact CE-CE 4.48Å; M314-M374 HydrophobicContact CE-SD 3.36Å; M314-M374 WeakPolarHBondContact CE-SD 3.33Å; M314-M374 HydrophobicContact SD-SD 4.11Å; G351-M374 CarbonylContact C-O 3.55Å; G351-M374 VanDerWaalsContact C-O 3.28Å; G351-M374 WeakPolarHBondContact CA-O 3.31Å; G351-M374 CarbonylContact O-C 3.48Å; L353-M374 WeakPolarHBondContact CB-O 3.36Å; L353-M374 PolarHBondContact N-O 2.89Å; I355-M374 HydrophobicContact CD1-CG 3.87Å; I355-M374 HydrophobicContact CD1-SD 4.37Å; C370-M374 HydrophobicContact CB-CE 4.19Å; C370-M374 WeakPolarHBondContact O-CE 3.48Å; C370-M374 WeakPolarHBondContact O-CG 3.44Å; C370-M374 PolarHBondContact O-N 3.39Å; C370-M374 VanDerWaalsContact O-N 3.15Å; F371-M374 HydrophobicContact CD1-CE 4.41Å; F371-M374 HydrophobicContact CD1-SD 4.19Å
375G93.9Very high94.6Very high4 Ų435.3 Ų35.34%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-131.5147.9-167.300000114.5G351 L353 F371G351-G375 CarbonylContact O-C 3.58Å; G351-G375 PolarHBondContact O-N 2.82Å; L353-G375 CarbonylContact O-C 3.57Å; L353-G375 WeakPolarHBondContact O-CA 3.48Å; F371-G375 WeakPolarHBondContact O-CA 3.42Å; F371-G375 PolarHBondContact O-N 2.51Å
376K90.6Very high94.7Very high126 Ų12633.6 Ų33.655%0.54818%0.18SC..EExtended strand (participates in β ladder)trans-71.7-35.6167.1177.1-176.6174.2-172.90111.7A207 G351 M352 L353A207-K376 VanDerWaalsContact O-O 3.13Å; G351-K376 PolarHBondContact O-N 3.03Å; M352-K376 HydrophobicContact CB-CB 4.5Å; M352-K376 HydrophobicContact SD-CB 4.15Å; M352-K376 HydrophobicContact SD-CG 4.5Å; L353-K376 PolarHBondContact O-N 3.4Å
377T89.6Confident94.9Very high28 Ų2831.4 Ų31.417%0.17217%0.168CC..EExtended strand (participates in β ladder)trans-159.5154.1-177.1-171.50000110.6V354 I355 F379V354-T377 HydrophobicContact CB-CG2 4.33Å; V354-T377 HydrophobicContact CG1-CG2 3.97Å; V354-T377 HydrophobicContact CG2-CG2 3.99Å; I355-T377 PolarHBondContact N-O 2.82Å; T377-F379 HydrophobicContact CG2-CD2 4.43Å; T377-F379 HydrophobicContact CG2-CE2 3.71Å; T377-F379 HydrophobicContact CG2-CZ 4.4Å
378S93.3Very high94.9Very high2 Ų231.5 Ų31.51%0.01417%0.169CC..EExtended strand (participates in β ladder)trans-132.2136.4173.966.60000112.3S204 I205 I355 Y364S204-S378 WeakPolarHBondContact CA-O 3.34Å; I205-S378 PolarHBondContact N-O 2.82Å; I205-S378 VanDerWaalsContact N-O 3.11Å; I205-S378 PolarHBondContact O-N 3.12Å; I205-S378 VanDerWaalsContact O-O 3.14Å; I355-S378 CarbonylContact O-C 3.28Å; I355-S378 VanDerWaalsContact O-CA 3.32Å; I355-S378 WeakPolarHBondContact O-CA 3.16Å; Y364-S378 PolarHBondContact OH-O 2.81Å; Y364-S378 PolarHBondContact OH-OG 2.92Å
379F94.6Very high95.2Very high71 Ų7134.4 Ų34.431%0.31118%0.175SC..EExtended strand (participates in β ladder)trans-109.7136.3177.2-65.3-89.5000109.8V354 I355 L356 A357 T377 L381V354-F379 HydrophobicContact CG1-CD2 4.01Å; V354-F379 HydrophobicContact CG1-CE2 3.83Å; I355-F379 PolarHBondContact O-N 3.48Å; L356-F379 HydrophobicContact CD2-CB 4.25Å; L356-F379 HydrophobicContact CD2-CD2 3.95Å; L356-F379 HydrophobicContact CD2-CG 4.43Å; A357-F379 WeakPolarHBondContact CA-O 3.43Å; A357-F379 PolarHBondContact N-O 2.83Å; T377-F379 HydrophobicContact CG2-CD2 4.43Å; T377-F379 HydrophobicContact CG2-CE2 3.71Å; T377-F379 HydrophobicContact CG2-CZ 4.4Å; F379-L381 HydrophobicContact CB-CD2 4.05Å; F379-L381 HydrophobicContact CB-CG 4.43Å
380F96.2Very high95.4Very high17 Ų1737.6 Ų37.68%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-104.2115.2170.8-171.4-98.6000110L337 A357 G359 R361 Y364L337-F380 HydrophobicContact CD1-CE2 4.14Å; A357-F380 HydrophobicContact CB-CD2 4.49Å; A357-F380 CarbonylContact O-C 3.42Å; A357-F380 WeakPolarHBondContact O-CA 3.34Å; G359-F380 WeakPolarHBondContact O-CZ 3.24Å; R361-F380 HydrophobicContact CB-CE1 4.25Å; R361-F380 HydrophobicContact CB-CE2 4.38Å; R361-F380 HydrophobicContact CB-CZ 3.79Å; R361-F380 HydrophobicContact CG-CZ 4.42Å; Y364-F380 HydrophobicContact CD1-CB 4.09Å; Y364-F380 AromaticContact CD1-CD2 3.69Å; Y364-F380 HydrophobicContact CD1-CD2 3.69Å; Y364-F380 HydrophobicContact CD1-CE2 4.46Å; Y364-F380 HydrophobicContact CD1-CG 4.1Å; Y364-F380 AromaticContact CD2-CD2 3.9Å; Y364-F380 HydrophobicContact CD2-CD2 3.9Å; Y364-F380 HydrophobicContact CE1-CB 3.73Å; Y364-F380 HydrophobicContact CE1-CD2 4.19Å; Y364-F380 HydrophobicContact CE1-CG 4.25Å; Y364-F380 HydrophobicContact CE2-CB 4.36Å; Y364-F380 HydrophobicContact CE2-CD2 4.42Å; Y364-F380 AromaticContact CG-CD2 3.51Å; Y364-F380 HydrophobicContact CG-CD2 3.51Å; Y364-F380 HydrophobicContact CG-CE2 4.14Å; Y364-F380 HydrophobicContact CG-CG 4.35Å
381L95.1Very high95.4Very high38 Ų3837.6 Ų37.620%0.19919%0.189CC..  trans-104.718.3-167.8-55.2177.7000112.9L356 A357 A358 F379 N386 A387 M390L356-L381 HydrophobicContact CB-CD1 3.96Å; L356-L381 HydrophobicContact CD2-CD1 4.48Å; A357-L381 PolarHBondContact O-N 3.34Å; A358-L381 HydrophobicContact CB-CB 4.31Å; F379-L381 HydrophobicContact CB-CD2 4.05Å; F379-L381 HydrophobicContact CB-CG 4.43Å; L381-N386 HydrophobicContact CB-CB 4.15Å; L381-N386 VanDerWaalsContact O-CB 3.31Å; L381-N386 WeakPolarHBondContact O-CB 3.49Å; L381-N386 PolarHBondContact O-ND2 3.25Å; L381-A387 HydrophobicContact CD1-CB 4.11Å; L381-M390 HydrophobicContact CD1-CB 3.89Å; L381-M390 HydrophobicContact CD1-CG 4.15Å
382G95Very high95.5Very high30 Ų3037.5 Ų37.531%0.30919%0.188SC..SBendtrans84-128176.800000112.6A358 G359A358-G382 CarbonylContact C-O 3.51Å; A358-G382 WeakPolarHBondContact CA-O 3.41Å; A358-G382 WeakPolarHBondContact CB-O 3.46Å; G359-G382 PolarHBondContact N-O 2.88Å
383E94.4Very high95.8Very high157 Ų15738.9 Ų38.973%0.73420%0.196SC*.SBendtrans-73.4151.4-171.8-60.4-169.5160.800113.8A358 N386A358-E383 WeakPolarHBondContact CB-O 3.38Å; E383-N386 VanDerWaalsContact O-CB 3.27Å; E383-N386 WeakPolarHBondContact O-CB 3.49Å; E383-N386 PolarHBondContact O-N 3.5Å; E383-N386 VanDerWaalsContact O-N 3.15Å; E383-N386 PolarHBondContact O-ND2 3.09Å
384A95.5Very high96Very high27 Ų2742.4 Ų42.422%0.22321%0.214CC..THydrogen-bonded Turntrans-56.4141.7177.300000111.9I322I322-A384 HydrophobicContact CG2-CB 4.05Å
385G96.6Very high96.1Very high0 Ų042.8 Ų42.80%022%0.217CC..THydrogen-bonded Turntrans97.3-28.3-167.300000113.2E338 R389E338-G385 VanDerWaalsContact OE1-CA 3.23Å; E338-G385 WeakPolarHBondContact OE1-CA 3.16Å; E338-G385 PolarHBondContact OE1-N 2.92Å; G385-R389 VanDerWaalsContact C-NH1 3.34Å; G385-R389 VanDerWaalsContact O-CG 3.28Å; G385-R389 WeakPolarHBondContact O-CG 3.32Å; G385-R389 PolarHBondContact O-N 3.49Å
386N97.4Very high96.4Very high59 Ų5944.6 Ų44.632%0.31623%0.225SC..Hα-helixtrans-68.3-36-176.9-72.1-13.6000113.3E338 A358 L381 E383 R389 M390E338-N386 PolarHBondContact OE1-N 2.86Å; E338-N386 VanDerWaalsContact OE1-N 3.07Å; A358-N386 HydrophobicContact CB-CB 4.3Å; L381-N386 HydrophobicContact CB-CB 4.15Å; L381-N386 VanDerWaalsContact O-CB 3.31Å; L381-N386 WeakPolarHBondContact O-CB 3.49Å; L381-N386 PolarHBondContact O-ND2 3.25Å; E383-N386 VanDerWaalsContact O-CB 3.27Å; E383-N386 WeakPolarHBondContact O-CB 3.49Å; E383-N386 PolarHBondContact O-N 3.5Å; E383-N386 VanDerWaalsContact O-N 3.15Å; E383-N386 PolarHBondContact O-ND2 3.09Å; N386-R389 PolarHBondContact OD1-NH1 2.83Å; N386-M390 WeakPolarHBondContact O-CB 3.32Å; N386-M390 PolarHBondContact O-N 2.94Å
387A98.1Very high96.7Very high0 Ų042.9 Ų42.90%022%0.224CC..Hα-helixtrans-73.4-39.1178.400000111.7E338 P340 L356 A358 L381 R389 M390 M391E338-A387 HydrophobicContact CG-CB 3.97Å; E338-A387 PolarHBondContact OE1-N 3.19Å; P340-A387 HydrophobicContact CG-CB 3.92Å; L356-A387 HydrophobicContact CB-CB 4.07Å; L356-A387 VanDerWaalsContact O-CB 3.29Å; L356-A387 WeakPolarHBondContact O-CB 3.38Å; A358-A387 HydrophobicContact CB-CB 3.87Å; L381-A387 HydrophobicContact CD1-CB 4.11Å; A387-R389 PolarHBondContact O-N 2.94Å; A387-M390 PolarHBondContact O-N 3.47Å; A387-M391 VanDerWaalsContact O-CB 3.32Å; A387-M391 WeakPolarHBondContact O-CB 3.14Å; A387-M391 PolarHBondContact O-N 3.32Å
388A98.3Very high97.2Very high2 Ų244.1 Ų44.12%0.01723%0.228CC..Hα-helixtrans-56.3-48.5170.100000112P319 I322 E338 M390 M391 L392P319-A388 HydrophobicContact CG-CB 4.28Å; I322-A388 HydrophobicContact CG1-CB 3.91Å; E338-A388 VanDerWaalsContact OE2-CB 3.29Å; E338-A388 WeakPolarHBondContact OE2-CB 3.32Å; E338-A388 PolarHBondContact OE2-N 3.27Å; A388-M390 PolarHBondContact O-N 2.75Å; A388-M391 PolarHBondContact O-N 3.32Å; A388-L392 WeakPolarHBondContact O-CG 3.43Å; A388-L392 PolarHBondContact O-N 2.91Å
389R98.6Very high97.4Very high99 Ų9944 Ų4437%0.37423%0.228SC..Hα-helixtrans-57-51.1176.4-69.9175.1-168.3107.27.8111.6P319 G385 N386 A387 M391 L392 I393 M467P319-R389 HydrophobicContact CB-CG 4.34Å; P319-R389 HydrophobicContact CG-CG 3.52Å; G385-R389 VanDerWaalsContact C-NH1 3.34Å; G385-R389 VanDerWaalsContact O-CG 3.28Å; G385-R389 WeakPolarHBondContact O-CG 3.32Å; G385-R389 PolarHBondContact O-N 3.49Å; N386-R389 PolarHBondContact OD1-NH1 2.83Å; A387-R389 PolarHBondContact O-N 2.94Å; R389-M391 VanDerWaalsContact C-N 3.35Å; R389-M391 PolarHBondContact O-N 3.05Å; R389-L392 PolarHBondContact O-N 3.49Å; R389-I393 VanDerWaalsContact O-CG1 3.31Å; R389-I393 WeakPolarHBondContact O-CG1 3.5Å; R389-I393 PolarHBondContact O-N 3.4Å; R389-M467 HydrophobicContact CB-SD 3.97Å; R389-M467 HydrophobicContact CG-SD 3.77Å
390M98.5Very high97.6Very high83 Ų8341.6 Ų41.641%0.40922%0.219SC..Hα-helixtrans-62-43.1-179.4-173.2617100111.6L356 L381 N386 A387 A388 L392 I393 L394L356-M390 HydrophobicContact CD1-CB 4.07Å; L356-M390 HydrophobicContact CD1-CG 3.75Å; L381-M390 HydrophobicContact CD1-CB 3.89Å; L381-M390 HydrophobicContact CD1-CG 4.15Å; N386-M390 WeakPolarHBondContact O-CB 3.32Å; N386-M390 PolarHBondContact O-N 2.94Å; A387-M390 PolarHBondContact O-N 3.47Å; A388-M390 PolarHBondContact O-N 2.75Å; M390-L392 PolarHBondContact O-N 3.3Å; M390-I393 PolarHBondContact O-N 3Å; M390-L394 WeakPolarHBondContact O-CG 3.5Å; M390-L394 PolarHBondContact O-N 2.88Å
391M98.6Very high97.7Very high0 Ų043.9 Ų43.90%023%0.229CC..Hα-helixtrans-61.6-44.8177.6-175.655.968.500112.1T316 P340 V341 A342 L356 A387 A388 R389 I393 L394 N395T316-M391 HydrophobicContact CG2-CG 3.63Å; P340-M391 HydrophobicContact CB-CB 4.13Å; P340-M391 HydrophobicContact CB-CE 3.85Å; P340-M391 HydrophobicContact CB-CG 4.01Å; P340-M391 HydrophobicContact CG-CB 4.06Å; P340-M391 HydrophobicContact CG-CE 4.36Å; P340-M391 HydrophobicContact CG-CG 4.49Å; V341-M391 WeakPolarHBondContact O-CE 3.24Å; A342-M391 HydrophobicContact CB-CE 3.9Å; A342-M391 HydrophobicContact CB-SD 4.26Å; L356-M391 HydrophobicContact CD1-CB 4.34Å; L356-M391 HydrophobicContact CD1-CE 3.76Å; L356-M391 HydrophobicContact CG-CE 4.06Å; A387-M391 VanDerWaalsContact O-CB 3.32Å; A387-M391 WeakPolarHBondContact O-CB 3.14Å; A387-M391 PolarHBondContact O-N 3.32Å; A388-M391 PolarHBondContact O-N 3.32Å; R389-M391 VanDerWaalsContact C-N 3.35Å; R389-M391 PolarHBondContact O-N 3.05Å; M391-I393 VanDerWaalsContact C-N 3.3Å; M391-I393 PolarHBondContact O-N 3.06Å; M391-L394 PolarHBondContact O-N 3.43Å; M391-N395 PolarHBondContact O-N 3.42Å
392L98.8Very high97.9Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-63.4-36.9177.5-70.5-179.9000111.9T316 A388 R389 M390 M396 D460 L463 A464 M467T316-L392 HydrophobicContact CG2-CD2 3.91Å; A388-L392 WeakPolarHBondContact O-CG 3.43Å; A388-L392 PolarHBondContact O-N 2.91Å; R389-L392 PolarHBondContact O-N 3.49Å; M390-L392 PolarHBondContact O-N 3.3Å; L392-M396 WeakPolarHBondContact O-CB 3.44Å; L392-M396 PolarHBondContact O-N 3.4Å; L392-D460 HydrophobicContact CD2-CB 4.34Å; L392-L463 HydrophobicContact CD1-CB 3.85Å; L392-L463 HydrophobicContact CD2-CB 3.69Å; L392-L463 HydrophobicContact CD2-CD1 4.19Å; L392-L463 HydrophobicContact CG-CB 4.44Å; L392-A464 HydrophobicContact CB-CB 4.29Å; L392-M467 HydrophobicContact CB-CE 4.02Å; L392-M467 HydrophobicContact CD1-SD 4.4Å
393I98.8Very high98.1Very high73 Ų7340.9 Ų40.937%0.37421%0.207SC..Hα-helixtrans-62.8-47.2173.6-67.4163.9000110.6R389 M390 M391 N395 M396 V397 M467R389-I393 VanDerWaalsContact O-CG1 3.31Å; R389-I393 WeakPolarHBondContact O-CG1 3.5Å; R389-I393 PolarHBondContact O-N 3.4Å; M390-I393 PolarHBondContact O-N 3Å; M391-I393 VanDerWaalsContact C-N 3.3Å; M391-I393 PolarHBondContact O-N 3.06Å; I393-N395 PolarHBondContact O-N 3.15Å; I393-M396 WeakPolarHBondContact O-CB 3.44Å; I393-M396 PolarHBondContact O-N 2.76Å; I393-V397 WeakPolarHBondContact O-CG2 3.32Å; I393-V397 PolarHBondContact O-N 3.12Å; I393-V397 VanDerWaalsContact O-N 3.09Å; I393-M467 HydrophobicContact CD1-CE 4.48Å; I393-M467 HydrophobicContact CG1-CE 3.84Å
394L98.4Very high98.3Very high74 Ų7437.6 Ų37.639%0.38720%0.198SC..Hα-helixtrans-60.9-46.7178.6-69.2174.9000111.8L356 M390 M391 M396 V397 Q398L356-L394 HydrophobicContact CD1-CD1 3.75Å; M390-L394 WeakPolarHBondContact O-CG 3.5Å; M390-L394 PolarHBondContact O-N 2.88Å; M391-L394 PolarHBondContact O-N 3.43Å; L394-M396 VanDerWaalsContact C-N 3.33Å; L394-M396 PolarHBondContact O-N 3.46Å; L394-V397 PolarHBondContact O-N 3.15Å; L394-Q398 PolarHBondContact O-N 3.45Å
395N98.5Very high98.4Very high9 Ų936.7 Ų36.75%0.04819%0.189CC..Hα-helixtrans-71.6-28.3-179.7-73.42.2000112.2M391 I393 Q398 G399 Y452 I457 D460M391-N395 PolarHBondContact O-N 3.42Å; I393-N395 PolarHBondContact O-N 3.15Å; N395-Q398 PolarHBondContact O-N 3.15Å; N395-G399 PolarHBondContact O-N 3.01Å; N395-Y452 PolarHBondContact ND2-OH 3.45Å; N395-I457 HydrophobicContact CB-CD1 4.07Å; N395-I457 WeakPolarHBondContact O-CD1 3.36Å; N395-D460 HydrophobicContact CB-CB 3.79Å; N395-D460 PolarHBondContact ND2-OD2 2.83Å
396M98.8Very high98.5Very high42 Ų4236.7 Ų36.721%0.20719%0.189CC..Hα-helixtrans-61.6-46.2169.9-178.6-175.269.400111.5L392 I393 L394 S400 L461 A464 T475 A478L392-M396 WeakPolarHBondContact O-CB 3.44Å; L392-M396 PolarHBondContact O-N 3.4Å; I393-M396 WeakPolarHBondContact O-CB 3.44Å; I393-M396 PolarHBondContact O-N 2.76Å; L394-M396 VanDerWaalsContact C-N 3.33Å; L394-M396 PolarHBondContact O-N 3.46Å; M396-S400 WeakPolarHBondContact O-CB 3.22Å; M396-S400 PolarHBondContact O-N 3.05Å; M396-S400 PolarHBondContact O-OG 2.91Å; M396-L461 HydrophobicContact CG-CD2 4.28Å; M396-A464 HydrophobicContact CB-CB 3.79Å; M396-A464 HydrophobicContact CG-CB 4.11Å; M396-A464 HydrophobicContact SD-CB 4.11Å; M396-T475 HydrophobicContact SD-CG2 4.19Å; M396-A478 HydrophobicContact CG-CB 3.54Å; M396-A478 HydrophobicContact SD-CB 3.73Å
397V98.7Very high98.5Very high90 Ų9038.8 Ų38.855%0.54520%0.197SC..Hα-helixtrans-63.4-49.3176.3173.60000110.4I393 L394 G399 S400 F401I393-V397 WeakPolarHBondContact O-CG2 3.32Å; I393-V397 PolarHBondContact O-N 3.12Å; I393-V397 VanDerWaalsContact O-N 3.09Å; L394-V397 PolarHBondContact O-N 3.15Å; V397-G399 PolarHBondContact O-N 3.25Å; V397-S400 PolarHBondContact O-N 2.82Å; V397-F401 VanDerWaalsContact O-CB 3.26Å; V397-F401 WeakPolarHBondContact O-CB 3.44Å; V397-F401 PolarHBondContact O-N 3.02Å
398Q98.5Very high98.5Very high54 Ų5439.6 Ų39.625%0.25221%0.206SC..Hα-helixtrans-60.6-46.4-179.9-174.6179.3-5700112.4L394 N395 F401 M402 F435L394-Q398 PolarHBondContact O-N 3.45Å; N395-Q398 PolarHBondContact O-N 3.15Å; Q398-F401 PolarHBondContact O-N 2.94Å; Q398-M402 WeakPolarHBondContact O-CB 3.49Å; Q398-M402 PolarHBondContact O-N 3.19Å; Q398-F435 HydrophobicContact CG-CE2 3.67Å; Q398-F435 HydrophobicContact CG-CZ 3.69Å
399G98.6Very high98.5Very high0 Ų039.5 Ų39.50%021%0.205CC..Hα-helixtrans-62.7-46.818000000111.9N395 V397 M402 A403 Y485N395-G399 PolarHBondContact O-N 3.01Å; V397-G399 PolarHBondContact O-N 3.25Å; G399-M402 PolarHBondContact O-N 3.18Å; G399-A403 PolarHBondContact O-N 3.49Å; G399-Y485 VanDerWaalsContact O-CE2 3.27Å; G399-Y485 WeakPolarHBondContact O-CE2 3.27Å; G399-Y485 PolarHBondContact O-OH 3.44Å
400S98.8Very high98.5Very high20 Ų2035.8 Ų35.814%0.1419%0.193CC..Hα-helixtrans-62.8-44177.6-53.30000111.4M396 V397 M402 A403 T404M396-S400 WeakPolarHBondContact O-CB 3.22Å; M396-S400 PolarHBondContact O-N 3.05Å; M396-S400 PolarHBondContact O-OG 2.91Å; V397-S400 PolarHBondContact O-N 2.82Å; S400-M402 PolarHBondContact O-N 2.88Å; S400-A403 WeakPolarHBondContact O-CB 3.46Å; S400-A403 PolarHBondContact O-N 2.97Å; S400-T404 PolarHBondContact O-N 3.05Å; S400-T404 PolarHBondContact O-OG1 3.14Å
401F98.5Very high98.5Very high65 Ų6537 Ų3729%0.28520%0.2SC..Hα-helixtrans-63.8-41.5-179.9-174.6-139.6000112.6V397 Q398 A403 T404 I405 F435 V436V397-F401 VanDerWaalsContact O-CB 3.26Å; V397-F401 WeakPolarHBondContact O-CB 3.44Å; V397-F401 PolarHBondContact O-N 3.02Å; Q398-F401 PolarHBondContact O-N 2.94Å; F401-A403 VanDerWaalsContact C-N 3.32Å; F401-A403 PolarHBondContact O-N 3.07Å; F401-T404 WeakPolarHBondContact O-CB 3.46Å; F401-T404 PolarHBondContact O-N 3.08Å; F401-I405 HydrophobicContact CD1-CD1 4.04Å; F401-I405 HydrophobicContact CD2-CD1 4.32Å; F401-I405 HydrophobicContact CD2-CG1 4.35Å; F401-I405 HydrophobicContact CE1-CD1 3.9Å; F401-I405 HydrophobicContact CE2-CD1 4.18Å; F401-I405 HydrophobicContact CE2-CG1 4.17Å; F401-I405 HydrophobicContact CG-CD1 4.26Å; F401-I405 HydrophobicContact CZ-CD1 3.97Å; F401-I405 HydrophobicContact CZ-CG1 4.38Å; F401-I405 WeakPolarHBondContact O-CG1 3.41Å; F401-I405 PolarHBondContact O-N 2.78Å; F401-F435 AromaticContact CD1-CD1 3.91Å; F401-F435 HydrophobicContact CD1-CD1 3.91Å; F401-F435 HydrophobicContact CD1-CE1 4.01Å; F401-F435 HydrophobicContact CE1-CD1 4.06Å; F401-V436 HydrophobicContact CE1-CG2 3.51Å; F401-V436 HydrophobicContact CZ-CG2 3.38Å
402M98.6Very high98.5Very high0 Ų037.4 Ų37.40%020%0.204CC..Hα-helixtrans-63.4-37.1175.4-176.470.1-11000112.3Q398 G399 S400 I405 A406 F435 K439 I443 Y485 I498 V501Q398-M402 WeakPolarHBondContact O-CB 3.49Å; Q398-M402 PolarHBondContact O-N 3.19Å; G399-M402 PolarHBondContact O-N 3.18Å; S400-M402 PolarHBondContact O-N 2.88Å; M402-I405 HydrophobicContact CE-CB 4.07Å; M402-I405 HydrophobicContact CE-CG2 3.87Å; M402-I405 PolarHBondContact O-N 3.35Å; M402-A406 WeakPolarHBondContact O-CB 3.38Å; M402-A406 PolarHBondContact O-N 3.36Å; M402-F435 HydrophobicContact CB-CE1 4.26Å; M402-F435 HydrophobicContact CB-CZ 4.09Å; M402-F435 HydrophobicContact SD-CE1 4.23Å; M402-F435 HydrophobicContact SD-CZ 4.1Å; M402-K439 HydrophobicContact CE-CB 4.12Å; M402-K439 HydrophobicContact SD-CB 3.65Å; M402-K439 HydrophobicContact SD-CD 4.33Å; M402-K439 HydrophobicContact SD-CG 3.8Å; M402-I443 HydrophobicContact CE-CD1 3.71Å; M402-Y485 WeakPolarHBondContact CB-OH 3.49Å; M402-I498 HydrophobicContact CG-CD1 4.42Å; M402-I498 HydrophobicContact CG-CG1 4.28Å; M402-V501 HydrophobicContact CG-CG1 3.96Å
403A98.8Very high98.4Very high4 Ų442.7 Ų42.73%0.03323%0.229CC..Hα-helixtrans-64.2-42.8173.600000111.4G399 S400 F401 I405 A406 E407 A481 Y485G399-A403 PolarHBondContact O-N 3.49Å; S400-A403 WeakPolarHBondContact O-CB 3.46Å; S400-A403 PolarHBondContact O-N 2.97Å; F401-A403 VanDerWaalsContact C-N 3.32Å; F401-A403 PolarHBondContact O-N 3.07Å; A403-I405 PolarHBondContact O-N 2.99Å; A403-A406 WeakPolarHBondContact O-CB 3.34Å; A403-A406 PolarHBondContact O-N 3.36Å; A403-E407 PolarHBondContact O-N 2.87Å; A403-A481 HydrophobicContact CB-CB 4.16Å; A403-Y485 HydrophobicContact CB-CE2 4.33Å
404T98.6Very high98.3Very high88 Ų8842.7 Ų42.754%0.5424%0.24SC..Hα-helixtrans-62.3-40.6174.9-55.40000112.7S400 F401 E407 G408S400-T404 PolarHBondContact O-N 3.05Å; S400-T404 PolarHBondContact O-OG1 3.14Å; F401-T404 WeakPolarHBondContact O-CB 3.46Å; F401-T404 PolarHBondContact O-N 3.08Å; T404-E407 PolarHBondContact O-N 2.79Å; T404-G408 PolarHBondContact O-N 2.98Å
405I98.1Very high98.3Very high9 Ų943 Ų435%0.04625%0.245CC..Hα-helixtrans-61.4-46.3174.8-70.6165000110.5F401 M402 A403 G408 L409 F435 V436 C440F401-I405 HydrophobicContact CD1-CD1 4.04Å; F401-I405 HydrophobicContact CD2-CD1 4.32Å; F401-I405 HydrophobicContact CD2-CG1 4.35Å; F401-I405 HydrophobicContact CE1-CD1 3.9Å; F401-I405 HydrophobicContact CE2-CD1 4.18Å; F401-I405 HydrophobicContact CE2-CG1 4.17Å; F401-I405 HydrophobicContact CG-CD1 4.26Å; F401-I405 HydrophobicContact CZ-CD1 3.97Å; F401-I405 HydrophobicContact CZ-CG1 4.38Å; F401-I405 WeakPolarHBondContact O-CG1 3.41Å; F401-I405 PolarHBondContact O-N 2.78Å; M402-I405 HydrophobicContact CE-CB 4.07Å; M402-I405 HydrophobicContact CE-CG2 3.87Å; M402-I405 PolarHBondContact O-N 3.35Å; A403-I405 PolarHBondContact O-N 2.99Å; I405-G408 PolarHBondContact O-N 3.04Å; I405-L409 HydrophobicContact CG2-CD1 3.87Å; I405-L409 WeakPolarHBondContact O-CG 3.35Å; I405-L409 PolarHBondContact O-N 3.37Å; I405-F435 HydrophobicContact CD1-CD1 4.29Å; I405-F435 HydrophobicContact CD1-CE1 4.11Å; I405-V436 HydrophobicContact CD1-CG2 3.9Å; I405-C440 WeakPolarHBondContact CG2-SG 3.36Å
406A98.5Very high98.2Very high0 Ų045.9 Ų45.90%028%0.276CS..Hα-helixtrans-58.9-47.9177.900000111.8M402 A403 G408 L409 T410 V501 Y502 Y505M402-A406 WeakPolarHBondContact O-CB 3.38Å; M402-A406 PolarHBondContact O-N 3.36Å; A403-A406 WeakPolarHBondContact O-CB 3.34Å; A403-A406 PolarHBondContact O-N 3.36Å; A406-G408 PolarHBondContact O-N 3.19Å; A406-L409 PolarHBondContact O-N 3.42Å; A406-T410 PolarHBondContact O-N 2.99Å; A406-T410 PolarHBondContact O-OG1 2.71Å; A406-V501 HydrophobicContact CB-CG1 3.99Å; A406-Y502 HydrophobicContact CB-CD2 4.38Å; A406-Y505 HydrophobicContact CB-CD2 4.05Å; A406-Y505 HydrophobicContact CB-CE2 3.99Å
407E98.6Very high98.2Very high102 Ų10249.6 Ų49.648%0.47729%0.293SS..Hα-helixtrans-57.7-47.7177.1-173.3169.7100.700111.9A403 T404 L409 T410 L411 Y505A403-E407 PolarHBondContact O-N 2.87Å; T404-E407 PolarHBondContact O-N 2.79Å; E407-L409 PolarHBondContact O-N 3.04Å; E407-T410 WeakPolarHBondContact CA-OG1 3.38Å; E407-T410 PolarHBondContact O-N 3.28Å; E407-T410 PolarHBondContact O-OG1 3.49Å; E407-L411 VanDerWaalsContact O-CB 3.32Å; E407-L411 WeakPolarHBondContact O-CB 3.47Å; E407-L411 PolarHBondContact O-N 3.11Å; E407-Y505 HydrophobicContact CB-CD1 4.35Å; E407-Y505 HydrophobicContact CB-CE1 3.71Å; E407-Y505 HydrophobicContact CG-CD1 4.43Å; E407-Y505 HydrophobicContact CG-CE1 3.82Å; E407-Y505 WeakPolarHBondContact OE2-CE1 3.42Å; E407-Y505 PolarHBondContact OE2-OH 2.96Å
408G98Very high98.2Very high18 Ų1848.2 Ų48.219%0.18629%0.288CS..Hα-helixtrans-61-43.9177.500000113.1T404 I405 A406 L411 A412T404-G408 PolarHBondContact O-N 2.98Å; I405-G408 PolarHBondContact O-N 3.04Å; A406-G408 PolarHBondContact O-N 3.19Å; G408-L411 PolarHBondContact O-N 3.27Å; G408-A412 WeakPolarHBondContact O-CB 3.47Å; G408-A412 PolarHBondContact O-N 2.59Å
409L97.9Very high98.1Very high0 Ų046.9 Ų46.90%028%0.281CS..Hα-helixtrans-64-41.5176.4-77167.2000112.2I405 A406 E407 Q413 Q419 F422 C440 I443 Y502I405-L409 HydrophobicContact CG2-CD1 3.87Å; I405-L409 WeakPolarHBondContact O-CG 3.35Å; I405-L409 PolarHBondContact O-N 3.37Å; A406-L409 PolarHBondContact O-N 3.42Å; E407-L409 PolarHBondContact O-N 3.04Å; L409-Q413 PolarHBondContact O-N 2.82Å; L409-Q413 VanDerWaalsContact O-N 3.16Å; L409-Q419 HydrophobicContact CD2-CB 3.98Å; L409-Q419 HydrophobicContact CD2-CG 4.38Å; L409-Q419 PolarHBondContact O-NE2 2.91Å; L409-F422 HydrophobicContact CD2-CD1 3.68Å; L409-F422 HydrophobicContact CD2-CE1 4.13Å; L409-F422 HydrophobicContact CG-CD1 4.18Å; L409-F422 HydrophobicContact CG-CE1 4.12Å; L409-C440 HydrophobicContact CD1-CB 4.43Å; L409-I443 HydrophobicContact CD1-CB 4.24Å; L409-I443 HydrophobicContact CD1-CD1 3.53Å; L409-I443 HydrophobicContact CD1-CG1 4.48Å; L409-I443 HydrophobicContact CD1-CG2 4.07Å; L409-Y502 HydrophobicContact CB-CD2 4.33Å; L409-Y502 HydrophobicContact CB-CE2 3.92Å
410T98.2Very high98Very high20 Ų2051.1 Ų51.112%0.12330%0.301CS..Hα-helixtrans-71-35.4176.646.80000112.7A406 E407 Q413 A414 Y502A406-T410 PolarHBondContact O-N 2.99Å; A406-T410 PolarHBondContact O-OG1 2.71Å; E407-T410 WeakPolarHBondContact CA-OG1 3.38Å; E407-T410 PolarHBondContact O-N 3.28Å; E407-T410 PolarHBondContact O-OG1 3.49Å; T410-Q413 WeakPolarHBondContact O-CB 3.27Å; T410-Q413 PolarHBondContact O-N 3.48Å; T410-A414 WeakPolarHBondContact O-CB 3.33Å; T410-A414 PolarHBondContact O-N 2.93Å; T410-Y502 HydrophobicContact CG2-CD2 3.76Å; T410-Y502 HydrophobicContact CG2-CE2 3.24Å
411L98.4Very high98Very high108 Ų10853.6 Ų53.657%0.56532%0.316SS*.Hα-helixtrans-68.4-40.6176.5-177.761.5000111.4E407 G408 Q413 A414 T415E407-L411 VanDerWaalsContact O-CB 3.32Å; E407-L411 WeakPolarHBondContact O-CB 3.47Å; E407-L411 PolarHBondContact O-N 3.11Å; G408-L411 PolarHBondContact O-N 3.27Å; L411-Q413 VanDerWaalsContact C-N 3.31Å; L411-Q413 PolarHBondContact O-N 3.17Å; L411-A414 PolarHBondContact O-N 3.17Å; L411-T415 HydrophobicContact CD1-CG2 4.01Å; L411-T415 HydrophobicContact CG-CG2 4.49Å; L411-T415 WeakPolarHBondContact O-CB 3.35Å; L411-T415 WeakPolarHBondContact O-CG2 3.47Å; L411-T415 PolarHBondContact O-N 3.27Å; L411-T415 PolarHBondContact O-OG1 3.42Å
412A97.8Very high97.9Very high10 Ų1053.4 Ų53.48%0.08332%0.315CS..Hα-helixtrans-55.9-48.7171.500000110.6G408 A414 T415 G416 Q417 F422G408-A412 WeakPolarHBondContact O-CB 3.47Å; G408-A412 PolarHBondContact O-N 2.59Å; A412-A414 PolarHBondContact O-N 2.89Å; A412-T415 PolarHBondContact O-N 2.91Å; A412-T415 PolarHBondContact O-OG1 3.36Å; A412-G416 PolarHBondContact O-N 3.43Å; A412-Q417 CarbonylContact C-O 3.48Å; A412-Q417 HydrophobicContact CB-CB 4.12Å; A412-Q417 WeakPolarHBondContact O-CA 3.48Å; A412-Q417 WeakPolarHBondContact O-CB 3.33Å; A412-Q417 PolarHBondContact O-N 3.01Å; A412-F422 HydrophobicContact CB-CB 4.4Å; A412-F422 HydrophobicContact CB-CG 4.48Å
413Q96.9Very high97.8Very high111 Ų11153.5 Ų53.552%0.51932%0.316SS..Hα-helixtrans-59.9-47.9176.7-176.364.530.100112.5L409 T410 L411 T415 G416 Q419L409-Q413 PolarHBondContact O-N 2.82Å; L409-Q413 VanDerWaalsContact O-N 3.16Å; T410-Q413 WeakPolarHBondContact O-CB 3.27Å; T410-Q413 PolarHBondContact O-N 3.48Å; L411-Q413 VanDerWaalsContact C-N 3.31Å; L411-Q413 PolarHBondContact O-N 3.17Å; Q413-T415 PolarHBondContact O-N 3.24Å; Q413-G416 PolarHBondContact O-N 3.22Å; Q413-Q419 HydrophobicContact CB-CG 4.23Å
414A97.4Very high97.6Very high73 Ų7357.1 Ų57.160%0.60333%0.334SS*.Hα-helixtrans-65.9-24.8-17800000113.2T410 L411 A412T410-A414 WeakPolarHBondContact O-CB 3.33Å; T410-A414 PolarHBondContact O-N 2.93Å; L411-A414 PolarHBondContact O-N 3.17Å; A412-A414 PolarHBondContact O-N 2.89Å
415T98Very high97.5Very high80 Ų8058.3 Ų58.349%0.49134%0.336SS..THydrogen-bonded Turntrans-98.213.6178.456.90000113.2L411 A412 Q413 Q417L411-T415 HydrophobicContact CD1-CG2 4.01Å; L411-T415 HydrophobicContact CG-CG2 4.49Å; L411-T415 WeakPolarHBondContact O-CB 3.35Å; L411-T415 WeakPolarHBondContact O-CG2 3.47Å; L411-T415 PolarHBondContact O-N 3.27Å; L411-T415 PolarHBondContact O-OG1 3.42Å; A412-T415 PolarHBondContact O-N 2.91Å; A412-T415 PolarHBondContact O-OG1 3.36Å; Q413-T415 PolarHBondContact O-N 3.24Å; T415-Q417 VanDerWaalsContact C-N 3.27Å; T415-Q417 PolarHBondContact O-N 3.12Å; T415-Q417 PolarHBondContact O-NE2 2.93Å
416G97.2Very high97.3Very high69 Ų6959 Ų5971%0.71134%0.34SS*.THydrogen-bonded Turntrans71.716.4176.800000114.5A412 Q413A412-G416 PolarHBondContact O-N 3.43Å; Q413-G416 PolarHBondContact O-N 3.22Å
417Q98.3Very high97.1Very high120 Ų12060.8 Ų60.856%0.56135%0.352SS*.  trans-89.6147.5176.4-54.6-57-58.600111.1A412 T415 Q419A412-Q417 CarbonylContact C-O 3.48Å; A412-Q417 HydrophobicContact CB-CB 4.12Å; A412-Q417 WeakPolarHBondContact O-CA 3.48Å; A412-Q417 WeakPolarHBondContact O-CB 3.33Å; A412-Q417 PolarHBondContact O-N 3.01Å; T415-Q417 VanDerWaalsContact C-N 3.27Å; T415-Q417 PolarHBondContact O-N 3.12Å; T415-Q417 PolarHBondContact O-NE2 2.93Å; Q417-Q419 PolarHBondContact O-N 3.47Å
418S98Very high96.9Very high61 Ų6164.3 Ų64.343%0.42737%0.368SS..  trans-70.4121.2175.4169.90000111.1Q420 T421 F422S418-Q420 VanDerWaalsContact C-N 3.26Å; S418-Q420 PolarHBondContact O-N 2.66Å; S418-Q420 PolarHBondContact OG-N 3.07Å; S418-T421 WeakPolarHBondContact CB-OG1 3.42Å; S418-T421 PolarHBondContact O-N 2.96Å; S418-T421 PolarHBondContact OG-N 3.19Å; S418-T421 PolarHBondContact OG-OG1 2.95Å; S418-F422 PolarHBondContact O-N 3.29Å
419Q97Very high96.6Very high26 Ų2665.3 Ų65.312%0.12138%0.379CS..Hα-helixtrans-62.8-33.4174.1-64-174.3-4200112.4L409 Q413 Q417 F422 L423 L444 Y502L409-Q419 HydrophobicContact CD2-CB 3.98Å; L409-Q419 HydrophobicContact CD2-CG 4.38Å; L409-Q419 PolarHBondContact O-NE2 2.91Å; Q413-Q419 HydrophobicContact CB-CG 4.23Å; Q417-Q419 PolarHBondContact O-N 3.47Å; Q419-F422 PolarHBondContact O-N 2.98Å; Q419-L423 PolarHBondContact O-N 2.73Å; Q419-L444 HydrophobicContact CB-CD2 3.45Å; Q419-L444 VanDerWaalsContact CB-CD2 3.45Å; Q419-Y502 PolarHBondContact NE2-OH 3.25Å
420Q97.5Very high96.4Very high89 Ų8975.2 Ų75.242%0.41643%0.425SS..Hα-helixtrans-65-46.6174.8-178.962.659.100110.6S418 F422 L423 D424S418-Q420 VanDerWaalsContact C-N 3.26Å; S418-Q420 PolarHBondContact O-N 2.66Å; S418-Q420 PolarHBondContact OG-N 3.07Å; Q420-F422 VanDerWaalsContact C-N 3.3Å; Q420-F422 PolarHBondContact O-N 3.34Å; Q420-L423 WeakPolarHBondContact O-CB 3.5Å; Q420-L423 PolarHBondContact O-N 2.85Å; Q420-L423 VanDerWaalsContact O-N 3.16Å; Q420-D424 PolarHBondContact NE2-OD1 2.95Å; Q420-D424 PolarHBondContact O-N 3.46Å
421T97.6Very high96Very high73 Ų7379.6 Ų79.645%0.44845%0.445SS..Hα-helixtrans-64.7-36.9178.1-54.20000111.4S418 D424 I425S418-T421 WeakPolarHBondContact CB-OG1 3.42Å; S418-T421 PolarHBondContact O-N 2.96Å; S418-T421 PolarHBondContact OG-N 3.19Å; S418-T421 PolarHBondContact OG-OG1 2.95Å; T421-D424 PolarHBondContact O-N 2.86Å; T421-I425 HydrophobicContact CG2-CD1 4.11Å; T421-I425 VanDerWaalsContact O-CG1 3.27Å; T421-I425 WeakPolarHBondContact O-CG1 3.42Å; T421-I425 PolarHBondContact O-N 2.81Å
422F96.5Very high95.8Very high61 Ų6176.9 Ų76.927%0.26844%0.439SS..Hα-helixtrans-58.9-46.2172.3173.8-101.8000112L409 A412 S418 Q419 Q420 I425 L426L409-F422 HydrophobicContact CD2-CD1 3.68Å; L409-F422 HydrophobicContact CD2-CE1 4.13Å; L409-F422 HydrophobicContact CG-CD1 4.18Å; L409-F422 HydrophobicContact CG-CE1 4.12Å; A412-F422 HydrophobicContact CB-CB 4.4Å; A412-F422 HydrophobicContact CB-CG 4.48Å; S418-F422 PolarHBondContact O-N 3.29Å; Q419-F422 PolarHBondContact O-N 2.98Å; Q420-F422 VanDerWaalsContact C-N 3.3Å; Q420-F422 PolarHBondContact O-N 3.34Å; F422-I425 PolarHBondContact O-N 2.89Å; F422-L426 HydrophobicContact CD1-CD1 3.94Å; F422-L426 HydrophobicContact CE1-CD1 3.35Å; F422-L426 HydrophobicContact CE1-CG 4.15Å; F422-L426 HydrophobicContact CE2-CD1 4.4Å; F422-L426 HydrophobicContact CE2-CG 4.41Å; F422-L426 HydrophobicContact CZ-CD1 3.62Å; F422-L426 HydrophobicContact CZ-CD2 4.35Å; F422-L426 HydrophobicContact CZ-CG 4.09Å; F422-L426 WeakPolarHBondContact O-CG 3.39Å; F422-L426 PolarHBondContact O-N 3.33Å
423L95.8Very high95.7Very high2 Ų278.6 Ų78.61%0.0145%0.45CS..Hα-helixtrans-60-47.9174.117257.5000111.7Q419 Q420 I425 L426 C427 V436 C440 Q441 L444Q419-L423 PolarHBondContact O-N 2.73Å; Q420-L423 WeakPolarHBondContact O-CB 3.5Å; Q420-L423 PolarHBondContact O-N 2.85Å; Q420-L423 VanDerWaalsContact O-N 3.16Å; L423-I425 PolarHBondContact O-N 3.33Å; L423-L426 WeakPolarHBondContact O-CB 3.34Å; L423-L426 PolarHBondContact O-N 3.43Å; L423-C427 VanDerWaalsContact CD1-SG 3.55Å; L423-C427 PolarHBondContact O-N 3.02Å; L423-V436 HydrophobicContact CD1-CG1 4.24Å; L423-C440 HydrophobicContact CB-CB 4.38Å; L423-C440 HydrophobicContact CD1-CB 3.5Å; L423-C440 HydrophobicContact CD2-CB 3.69Å; L423-C440 HydrophobicContact CG-CB 4.05Å; L423-Q441 HydrophobicContact CD2-CG 4.12Å; L423-L444 HydrophobicContact CD2-CD1 3.78Å
424D96.1Very high95.5Very high79 Ų7979.4 Ų79.442%0.42246%0.463SS..Hα-helixtrans-56.8-42.7-179.4-60.9-22.3000110.8Q420 T421 C427 Q428Q420-D424 PolarHBondContact NE2-OD1 2.95Å; Q420-D424 PolarHBondContact O-N 3.46Å; T421-D424 PolarHBondContact O-N 2.86Å; D424-C427 PolarHBondContact O-N 2.85Å; D424-Q428 WeakPolarHBondContact O-CG 3.29Å; D424-Q428 PolarHBondContact O-N 2.74Å
425I96.3Very high95.4Very high114 Ų11478 Ų7859%0.58544%0.443SS*.Hα-helixtrans-63.5-45.5175.7-67.8165.1000111.4T421 F422 L423 C427 Q428 G429T421-I425 HydrophobicContact CG2-CD1 4.11Å; T421-I425 VanDerWaalsContact O-CG1 3.27Å; T421-I425 WeakPolarHBondContact O-CG1 3.42Å; T421-I425 PolarHBondContact O-N 2.81Å; F422-I425 PolarHBondContact O-N 2.89Å; L423-I425 PolarHBondContact O-N 3.33Å; I425-C427 VanDerWaalsContact C-N 3.28Å; I425-C427 PolarHBondContact O-N 3.24Å; I425-Q428 PolarHBondContact O-N 2.8Å; I425-G429 PolarHBondContact O-N 3Å
426L93.6Very high95.3Very high23 Ų2374.2 Ų74.212%0.1242%0.42CS..Hα-helixtrans-58.8-41.6177.4-75.7179.7000111.9F422 L423 Q428 G429 M431 V436F422-L426 HydrophobicContact CD1-CD1 3.94Å; F422-L426 HydrophobicContact CE1-CD1 3.35Å; F422-L426 HydrophobicContact CE1-CG 4.15Å; F422-L426 HydrophobicContact CE2-CD1 4.4Å; F422-L426 HydrophobicContact CE2-CG 4.41Å; F422-L426 HydrophobicContact CZ-CD1 3.62Å; F422-L426 HydrophobicContact CZ-CD2 4.35Å; F422-L426 HydrophobicContact CZ-CG 4.09Å; F422-L426 WeakPolarHBondContact O-CG 3.39Å; F422-L426 PolarHBondContact O-N 3.33Å; L423-L426 WeakPolarHBondContact O-CB 3.34Å; L423-L426 PolarHBondContact O-N 3.43Å; L426-Q428 VanDerWaalsContact C-N 3.29Å; L426-Q428 PolarHBondContact O-N 3.36Å; L426-G429 PolarHBondContact O-N 3.43Å; L426-G429 VanDerWaalsContact O-N 3.12Å; L426-M431 HydrophobicContact CD2-CE 3.44Å; L426-M431 VanDerWaalsContact CD2-CE 3.44Å; L426-V436 HydrophobicContact CB-CG1 4.27Å; L426-V436 HydrophobicContact CD1-CG1 4.13Å
427C93.6Very high95.2Very high38 Ų3873.7 Ų73.726%0.25740%0.401SS..Hα-helixtrans-71.7-19-178.9-73.70000113.9L423 D424 I425 A432L423-C427 VanDerWaalsContact CD1-SG 3.55Å; L423-C427 PolarHBondContact O-N 3.02Å; D424-C427 PolarHBondContact O-N 2.85Å; I425-C427 VanDerWaalsContact C-N 3.28Å; I425-C427 PolarHBondContact O-N 3.24Å; C427-A432 VanDerWaalsContact O-CB 3.24Å; C427-A432 WeakPolarHBondContact O-CB 3.35Å
428Q94.9Very high95Very high175 Ų17572.3 Ų72.382%0.81839%0.394SS*.Hα-helixtrans-86.6-16.4169.9-63.4-56.6-47.500113.1D424 I425 L426D424-Q428 WeakPolarHBondContact O-CG 3.29Å; D424-Q428 PolarHBondContact O-N 2.74Å; I425-Q428 PolarHBondContact O-N 2.8Å; L426-Q428 VanDerWaalsContact C-N 3.29Å; L426-Q428 PolarHBondContact O-N 3.36Å
429G92.2Very high95Very high39 Ų3969.8 Ų69.840%0.40238%0.376SS..SBendtrans-88.3-176.7-174.500000114.7I425 L426 M431 A432I425-G429 PolarHBondContact O-N 3Å; L426-G429 PolarHBondContact O-N 3.43Å; L426-G429 VanDerWaalsContact O-N 3.12Å; G429-M431 PolarHBondContact O-N 3.27Å; G429-A432 VanDerWaalsContact O-CB 3.31Å; G429-A432 WeakPolarHBondContact O-CB 3.33Å; G429-A432 PolarHBondContact O-N 3.49Å
430Q93.1Very high95Very high208 Ų20868.6 Ų68.697%0.97237%0.37SS*.THydrogen-bonded Turntrans-70.4-13.8178.6-61.9-176.126.200113.8A432Q430-A432 VanDerWaalsContact C-N 3.33Å
431M90.1Very high95Very high113 Ų11367.3 Ų67.356%0.55736%0.364SS*.THydrogen-bonded Turntrans-89.90.4178.1-62.7-173.2-73.700112.9L426 G429 S433L426-M431 HydrophobicContact CD2-CE 3.44Å; L426-M431 VanDerWaalsContact CD2-CE 3.44Å; G429-M431 PolarHBondContact O-N 3.27Å; M431-S433 PolarHBondContact O-N 3.04Å
432A94Very high94.9Very high51 Ų5164.5 Ų64.542%0.42135%0.346SS..  trans-57121.4179.800000110.8C427 G429 Q430C427-A432 VanDerWaalsContact O-CB 3.24Å; C427-A432 WeakPolarHBondContact O-CB 3.35Å; G429-A432 VanDerWaalsContact O-CB 3.31Å; G429-A432 WeakPolarHBondContact O-CB 3.33Å; G429-A432 PolarHBondContact O-N 3.49Å; Q430-A432 VanDerWaalsContact C-N 3.33Å
433S95.1Very high95Very high46 Ų4662 Ų6232%0.32234%0.336SS..  trans-151.8156176.1650000109.9M431 F435 V436 D437M431-S433 PolarHBondContact O-N 3.04Å; S433-F435 PolarHBondContact O-N 3.33Å; S433-V436 PolarHBondContact O-N 3.45Å; S433-V436 VanDerWaalsContact O-N 3.17Å; S433-V436 VanDerWaalsContact OG-CG2 3.3Å; S433-V436 WeakPolarHBondContact OG-CG2 3.21Å; S433-V436 PolarHBondContact OG-N 2.84Å; S433-D437 PolarHBondContact O-N 3.47Å; S433-D437 VanDerWaalsContact O-N 3.1Å
434T93.1Very high95.1Very high128 Ų12864.5 Ų64.579%0.78535%0.348SS*.Hα-helixtrans-58.6-31.5174.749.90000112.1Q438T434-Q438 WeakPolarHBondContact O-CB 3.49Å; T434-Q438 PolarHBondContact O-N 2.94Å
435F95.1Very high95.1Very high43 Ų4367 Ų6719%0.18936%0.358CS..Hα-helixtrans-64-50175.1-177-94.5000111.8Q398 F401 M402 I405 S433 K439 I498Q398-F435 HydrophobicContact CG-CE2 3.67Å; Q398-F435 HydrophobicContact CG-CZ 3.69Å; F401-F435 AromaticContact CD1-CD1 3.91Å; F401-F435 HydrophobicContact CD1-CD1 3.91Å; F401-F435 HydrophobicContact CD1-CE1 4.01Å; F401-F435 HydrophobicContact CE1-CD1 4.06Å; M402-F435 HydrophobicContact CB-CE1 4.26Å; M402-F435 HydrophobicContact CB-CZ 4.09Å; M402-F435 HydrophobicContact SD-CE1 4.23Å; M402-F435 HydrophobicContact SD-CZ 4.1Å; I405-F435 HydrophobicContact CD1-CD1 4.29Å; I405-F435 HydrophobicContact CD1-CE1 4.11Å; S433-F435 PolarHBondContact O-N 3.33Å; F435-K439 HydrophobicContact CD1-CG 4.43Å; F435-K439 HydrophobicContact CD2-CG 4.2Å; F435-K439 HydrophobicContact CE1-CG 4.19Å; F435-K439 HydrophobicContact CE2-CG 3.95Å; F435-K439 HydrophobicContact CG-CG 4.44Å; F435-K439 HydrophobicContact CZ-CG 3.95Å; F435-K439 WeakPolarHBondContact O-CB 3.21Å; F435-K439 VanDerWaalsContact O-CG 3.27Å; F435-K439 WeakPolarHBondContact O-CG 3.43Å; F435-K439 PolarHBondContact O-N 3.39Å; F435-I498 HydrophobicContact CE2-CD1 3.89Å; F435-I498 HydrophobicContact CZ-CD1 3.87Å
436V95.5Very high95.2Very high1 Ų163.7 Ų63.71%0.00635%0.352CS..Hα-helixtrans-59.2-53178.8170.20000110.5F401 I405 L423 L426 S433 Q438 K439 C440F401-V436 HydrophobicContact CE1-CG2 3.51Å; F401-V436 HydrophobicContact CZ-CG2 3.38Å; I405-V436 HydrophobicContact CD1-CG2 3.9Å; L423-V436 HydrophobicContact CD1-CG1 4.24Å; L426-V436 HydrophobicContact CB-CG1 4.27Å; L426-V436 HydrophobicContact CD1-CG1 4.13Å; S433-V436 PolarHBondContact O-N 3.45Å; S433-V436 VanDerWaalsContact O-N 3.17Å; S433-V436 VanDerWaalsContact OG-CG2 3.3Å; S433-V436 WeakPolarHBondContact OG-CG2 3.21Å; S433-V436 PolarHBondContact OG-N 2.84Å; V436-Q438 PolarHBondContact O-N 2.87Å; V436-K439 PolarHBondContact O-N 3.33Å; V436-C440 VanDerWaalsContact O-CB 3.27Å; V436-C440 WeakPolarHBondContact O-CB 3.4Å; V436-C440 PolarHBondContact O-N 3.07Å; V436-C440 PolarHBondContact O-SG 3.31Å
437D95.1Very high95.3Very high58 Ų5865.9 Ų65.931%0.3136%0.364SS..Hα-helixtrans-57.6-52.5-177.5-175.244.1000111.5S433 K439 C440 Q441S433-D437 PolarHBondContact O-N 3.47Å; S433-D437 VanDerWaalsContact O-N 3.1Å; D437-K439 PolarHBondContact O-N 3Å; D437-C440 PolarHBondContact O-N 2.95Å; D437-Q441 WeakPolarHBondContact O-CB 3.4Å; D437-Q441 VanDerWaalsContact O-CG 3.24Å; D437-Q441 WeakPolarHBondContact O-CG 3.12Å; D437-Q441 PolarHBondContact O-N 2.88Å; D437-Q441 PolarHBondContact OD1-NE2 3.2Å; D437-Q441 PolarHBondContact OD2-NE2 2.93Å
438Q95.9Very high95.5Very high90 Ų9064.9 Ų64.942%0.42136%0.355SS..Hα-helixtrans-63.2-44.7-177.9-173.26266.200112.9T434 V436 N442T434-Q438 WeakPolarHBondContact O-CB 3.49Å; T434-Q438 PolarHBondContact O-N 2.94Å; V436-Q438 PolarHBondContact O-N 2.87Å; Q438-N442 PolarHBondContact NE2-OD1 3Å; Q438-N442 WeakPolarHBondContact O-CB 3.31Å; Q438-N442 PolarHBondContact O-N 3.34Å; Q438-N442 PolarHBondContact O-OD1 3.18Å
439K97.4Very high95.7Very high9 Ų963.7 Ų63.74%0.03935%0.347CS..Hα-helixtrans-73.2-35.2-176.5-64.2-57.6-177.3-176.90112.2M402 F435 V436 D437 N442 I443 D497M402-K439 HydrophobicContact CE-CB 4.12Å; M402-K439 HydrophobicContact SD-CB 3.65Å; M402-K439 HydrophobicContact SD-CD 4.33Å; M402-K439 HydrophobicContact SD-CG 3.8Å; F435-K439 HydrophobicContact CD1-CG 4.43Å; F435-K439 HydrophobicContact CD2-CG 4.2Å; F435-K439 HydrophobicContact CE1-CG 4.19Å; F435-K439 HydrophobicContact CE2-CG 3.95Å; F435-K439 HydrophobicContact CG-CG 4.44Å; F435-K439 HydrophobicContact CZ-CG 3.95Å; F435-K439 WeakPolarHBondContact O-CB 3.21Å; F435-K439 VanDerWaalsContact O-CG 3.27Å; F435-K439 WeakPolarHBondContact O-CG 3.43Å; F435-K439 PolarHBondContact O-N 3.39Å; V436-K439 PolarHBondContact O-N 3.33Å; D437-K439 PolarHBondContact O-N 3Å; K439-N442 WeakPolarHBondContact O-CB 3.36Å; K439-N442 PolarHBondContact O-N 3.41Å; K439-I443 WeakPolarHBondContact O-CG1 3.32Å; K439-I443 PolarHBondContact O-N 3.39Å; K439-I443 VanDerWaalsContact O-N 3.13Å; K439-D497 IonicContact NZ-OD1 3.54Å; K439-D497 PolarHBondContact NZ-OD1 2.74Å; K439-D497 IonicContact NZ-OD2 3.73Å; K439-D497 PolarHBondContact NZ-OD2 3.16Å
440C97Very high95.8Very high0 Ų063 Ų630%034%0.336CS..Hα-helixtrans-67-44.4172.6-68.50000111.5I405 L409 L423 V436 D437 N442 I443 L444I405-C440 WeakPolarHBondContact CG2-SG 3.36Å; L409-C440 HydrophobicContact CD1-CB 4.43Å; L423-C440 HydrophobicContact CB-CB 4.38Å; L423-C440 HydrophobicContact CD1-CB 3.5Å; L423-C440 HydrophobicContact CD2-CB 3.69Å; L423-C440 HydrophobicContact CG-CB 4.05Å; V436-C440 VanDerWaalsContact O-CB 3.27Å; V436-C440 WeakPolarHBondContact O-CB 3.4Å; V436-C440 PolarHBondContact O-N 3.07Å; V436-C440 PolarHBondContact O-SG 3.31Å; D437-C440 PolarHBondContact O-N 2.95Å; C440-N442 VanDerWaalsContact C-N 3.29Å; C440-N442 PolarHBondContact O-N 3.48Å; C440-I443 PolarHBondContact O-N 3.02Å; C440-I443 VanDerWaalsContact O-N 3.1Å; C440-L444 VanDerWaalsContact O-CG 3.31Å; C440-L444 WeakPolarHBondContact O-CG 3.32Å; C440-L444 PolarHBondContact O-N 3.45Å
441Q96.7Very high95.9Very high63 Ų6354.9 Ų54.929%0.29430%0.298SS..Hα-helixtrans-58.1-42.1174.7-74.1177.118.300112L423 D437 I443 L444 Q445L423-Q441 HydrophobicContact CD2-CG 4.12Å; D437-Q441 WeakPolarHBondContact O-CB 3.4Å; D437-Q441 VanDerWaalsContact O-CG 3.24Å; D437-Q441 WeakPolarHBondContact O-CG 3.12Å; D437-Q441 PolarHBondContact O-N 2.88Å; D437-Q441 PolarHBondContact OD1-NE2 3.2Å; D437-Q441 PolarHBondContact OD2-NE2 2.93Å; Q441-I443 VanDerWaalsContact C-N 3.33Å; Q441-I443 PolarHBondContact O-N 2.82Å; Q441-L444 PolarHBondContact O-N 3.35Å; Q441-Q445 WeakPolarHBondContact O-CB 3.35Å; Q441-Q445 VanDerWaalsContact O-CG 3.25Å; Q441-Q445 WeakPolarHBondContact O-CG 3.47Å; Q441-Q445 PolarHBondContact O-N 3.05Å
442N96.5Very high96.2Very high13 Ų1350.8 Ų50.87%0.0728%0.277CS..Hα-helixtrans-57.4-45174.3-755000111.9Q438 K439 C440 Q445 G446 N447Q438-N442 PolarHBondContact NE2-OD1 3Å; Q438-N442 WeakPolarHBondContact O-CB 3.31Å; Q438-N442 PolarHBondContact O-N 3.34Å; Q438-N442 PolarHBondContact O-OD1 3.18Å; K439-N442 WeakPolarHBondContact O-CB 3.36Å; K439-N442 PolarHBondContact O-N 3.41Å; C440-N442 VanDerWaalsContact C-N 3.29Å; C440-N442 PolarHBondContact O-N 3.48Å; N442-Q445 PolarHBondContact O-N 3.29Å; N442-G446 PolarHBondContact O-N 3.46Å; N442-G446 VanDerWaalsContact O-N 3.14Å; N442-N447 WeakPolarHBondContact CB-O 3.46Å; N442-N447 PolarHBondContact O-N 3.19Å
443I98.1Very high96.4Very high9 Ų951 Ų515%0.04627%0.268CS..Hα-helixtrans-63.9-49177.6-70.5165.7000111M402 L409 K439 C440 Q441 Q445 G446 F448 Y502M402-I443 HydrophobicContact CE-CD1 3.71Å; L409-I443 HydrophobicContact CD1-CB 4.24Å; L409-I443 HydrophobicContact CD1-CD1 3.53Å; L409-I443 HydrophobicContact CD1-CG1 4.48Å; L409-I443 HydrophobicContact CD1-CG2 4.07Å; K439-I443 WeakPolarHBondContact O-CG1 3.32Å; K439-I443 PolarHBondContact O-N 3.39Å; K439-I443 VanDerWaalsContact O-N 3.13Å; C440-I443 PolarHBondContact O-N 3.02Å; C440-I443 VanDerWaalsContact O-N 3.1Å; Q441-I443 VanDerWaalsContact C-N 3.33Å; Q441-I443 PolarHBondContact O-N 2.82Å; I443-Q445 PolarHBondContact O-N 2.91Å; I443-G446 PolarHBondContact O-N 2.89Å; I443-F448 HydrophobicContact CG1-CE1 3.94Å; I443-F448 HydrophobicContact CG1-CZ 4.37Å; I443-Y502 HydrophobicContact CD1-CD2 4.09Å; I443-Y502 HydrophobicContact CD1-CG 4.18Å; I443-Y502 HydrophobicContact CG1-CD2 4.46Å; I443-Y502 HydrophobicContact CG1-CG 4.21Å; I443-Y502 HydrophobicContact CG2-CD1 3.87Å; I443-Y502 HydrophobicContact CG2-CD2 3.63Å; I443-Y502 HydrophobicContact CG2-CE1 3.94Å; I443-Y502 HydrophobicContact CG2-CE2 3.7Å; I443-Y502 HydrophobicContact CG2-CG 3.73Å
444L97.1Very high96.6Very high54 Ų5448.9 Ų48.928%0.28325%0.252SS..Hα-helixtrans-60.1-32.6-179.7-69.4171.7000112.5Q419 L423 C440 Q441 G446Q419-L444 HydrophobicContact CB-CD2 3.45Å; Q419-L444 VanDerWaalsContact CB-CD2 3.45Å; L423-L444 HydrophobicContact CD2-CD1 3.78Å; C440-L444 VanDerWaalsContact O-CG 3.31Å; C440-L444 WeakPolarHBondContact O-CG 3.32Å; C440-L444 PolarHBondContact O-N 3.45Å; Q441-L444 PolarHBondContact O-N 3.35Å; L444-G446 VanDerWaalsContact C-N 3.35Å
445Q97.7Very high96.8Very high133 Ų13346.2 Ų46.262%0.62123%0.23SC*.THydrogen-bonded Turntrans-86.3-4.1176.1-66.7171.419.300113.3Q441 N442 I443 N447Q441-Q445 WeakPolarHBondContact O-CB 3.35Å; Q441-Q445 VanDerWaalsContact O-CG 3.25Å; Q441-Q445 WeakPolarHBondContact O-CG 3.47Å; Q441-Q445 PolarHBondContact O-N 3.05Å; N442-Q445 PolarHBondContact O-N 3.29Å; I443-Q445 PolarHBondContact O-N 2.91Å; Q445-N447 HydrophobicContact CB-CB 4.26Å; Q445-N447 PolarHBondContact O-N 3.3Å
446G96.4Very high97Very high44 Ų4445.8 Ų45.845%0.45423%0.228SC..THydrogen-bonded Turntrans62.718.5-172.200000114N442 I443 L444 F448N442-G446 PolarHBondContact O-N 3.46Å; N442-G446 VanDerWaalsContact O-N 3.14Å; I443-G446 PolarHBondContact O-N 2.89Å; L444-G446 VanDerWaalsContact C-N 3.35Å; G446-F448 WeakPolarHBondContact O-CD2 3.49Å
447N97.4Very high97.2Very high69 Ų6945.7 Ų45.737%0.36923%0.228SC..  trans-94.7102.6-176.117719000110.9N442 Q445 K449N442-N447 WeakPolarHBondContact CB-O 3.46Å; N442-N447 PolarHBondContact O-N 3.19Å; Q445-N447 HydrophobicContact CB-CB 4.26Å; Q445-N447 PolarHBondContact O-N 3.3Å; N447-K449 WeakPolarHBondContact OD1-CB 3.05Å; N447-K449 PolarHBondContact OD1-N 3.47Å; N447-K449 VanDerWaalsContact OD1-N 3.15Å
448F97.9Very high97.3Very high16 Ų1643.4 Ų43.47%0.0722%0.215CC..  trans-107.925.8178.7-58.5-77.6000113I443 G446 N496 D497 S499 A500 Y502 R503I443-F448 HydrophobicContact CG1-CE1 3.94Å; I443-F448 HydrophobicContact CG1-CZ 4.37Å; G446-F448 WeakPolarHBondContact O-CD2 3.49Å; F448-N496 HydrophobicContact CB-CB 4.07Å; F448-D497 PolarHBondContact O-N 2.92Å; F448-S499 WeakPolarHBondContact CD1-OG 3.37Å; F448-S499 WeakPolarHBondContact CE1-O 3.36Å; F448-A500 HydrophobicContact CB-CB 4.14Å; F448-A500 VanDerWaalsContact CD1-CA 3.42Å; F448-A500 HydrophobicContact CD1-CB 3.71Å; F448-A500 HydrophobicContact CE1-CB 4.38Å; F448-A500 HydrophobicContact CG-CB 4.04Å; F448-Y502 HydrophobicContact CZ-CD1 4.17Å; F448-R503 VanDerWaalsContact CD2-CZ 3.43Å; F448-R503 VanDerWaalsContact CD2-NH2 3.34Å
449K97.5Very high97.5Very high151 Ų15139.9 Ų39.966%0.65720%0.199SC*.  trans-57.1128.2172.5-178-176.8174.4-177.20109.2N447 D451N447-K449 WeakPolarHBondContact OD1-CB 3.05Å; N447-K449 PolarHBondContact OD1-N 3.47Å; N447-K449 VanDerWaalsContact OD1-N 3.15Å; K449-D451 PolarHBondContact O-N 3.48Å
450P95.2Very high97.5Very high25 Ų2539.4 Ų39.416%0.16220%0.197CC..  trans-68.5118.1-170.427.6-36.3000112.2Q345 Y453Q345-P450 PolarHBondContact OE1-O 3.04Å; P450-Y453 HydrophobicContact CB-CD1 3.53Å; P450-Y453 HydrophobicContact CB-CE1 3.51Å; P450-Y453 HydrophobicContact CB-CG 4.29Å; P450-Y453 HydrophobicContact CG-CD1 4.06Å; P450-Y453 HydrophobicContact CG-CE1 3.5Å; P450-Y453 VanDerWaalsContact CG-CE1 3.5Å
451D94.4Very high97.6Very high36 Ų3639.4 Ų39.419%0.19320%0.197CC..SBendtrans-101.3-25.7161.8-166.229.3000109.8S344 Q345 Q346 K449 D497S344-D451 VanDerWaalsContact CB-OD1 3.28Å; S344-D451 WeakPolarHBondContact CB-OD1 3.3Å; S344-D451 WeakPolarHBondContact CB-OD2 3.4Å; S344-D451 VanDerWaalsContact OG-CG 3.24Å; S344-D451 PolarHBondContact OG-OD1 3.05Å; S344-D451 VanDerWaalsContact OG-OD1 3.1Å; S344-D451 PolarHBondContact OG-OD2 2.85Å; Q345-D451 WeakPolarHBondContact CA-OD1 3.49Å; Q345-D451 VanDerWaalsContact CB-OD1 3.29Å; Q345-D451 WeakPolarHBondContact CB-OD1 3.34Å; Q345-D451 PolarHBondContact N-O 3.33Å; Q345-D451 PolarHBondContact N-OD1 3.49Å; Q346-D451 PolarHBondContact N-OD1 3.45Å; K449-D451 PolarHBondContact O-N 3.48Å; D451-D497 PolarHBondContact N-OD2 2.8Å
452Y97Very high97.7Very high27 Ų2742 Ų4211%0.10620%0.203CC..SBendtrans-144.3129.3159.5-167.7-124.7000109.7N395 H456 I457 D460 D497 I498N395-Y452 PolarHBondContact ND2-OH 3.45Å; Y452-H456 HydrophobicContact CE1-CB 4.39Å; Y452-H456 HydrophobicContact CE2-CB 4.33Å; Y452-I457 HydrophobicContact CD1-CB 4.24Å; Y452-I457 HydrophobicContact CD1-CD1 4.3Å; Y452-I457 HydrophobicContact CE1-CB 3.94Å; Y452-I457 HydrophobicContact CE1-CD1 3.8Å; Y452-I457 HydrophobicContact CE1-CG1 4.46Å; Y452-D460 PolarHBondContact OH-OD2 3.07Å; Y452-D497 PolarHBondContact N-OD2 2.98Å; Y452-D497 CarbonylContact O-C 3.48Å; Y452-D497 VanDerWaalsContact O-CA 3.29Å; Y452-D497 WeakPolarHBondContact O-CA 3.38Å; Y452-I498 HydrophobicContact CD1-CG2 3.52Å; Y452-I498 HydrophobicContact CE1-CG2 4.43Å; Y452-I498 HydrophobicContact CG-CG2 4.2Å; Y452-I498 VanDerWaalsContact O-CG2 3.3Å; Y452-I498 WeakPolarHBondContact O-CG2 3.46Å; Y452-I498 PolarHBondContact O-N 3.49Å
453Y98.6Very high97.8Very high57 Ų5741.8 Ų41.822%0.22420%0.203CC..BIsolated β-bridgetrans-69.5138.2-173.2-72.2-67.9000113.3L231 P450 K455 H456 I457 D495 N496L231-Y453 HydrophobicContact CB-CD2 4.39Å; L231-Y453 HydrophobicContact CB-CE2 3.83Å; L231-Y453 HydrophobicContact CD1-CE2 4.05Å; L231-Y453 HydrophobicContact CD2-CD2 3.94Å; L231-Y453 HydrophobicContact CD2-CE2 3.91Å; L231-Y453 HydrophobicContact CG-CE2 4.16Å; P450-Y453 HydrophobicContact CB-CD1 3.53Å; P450-Y453 HydrophobicContact CB-CE1 3.51Å; P450-Y453 HydrophobicContact CB-CG 4.29Å; P450-Y453 HydrophobicContact CG-CD1 4.06Å; P450-Y453 HydrophobicContact CG-CE1 3.5Å; P450-Y453 VanDerWaalsContact CG-CE1 3.5Å; Y453-K455 VanDerWaalsContact C-N 3.32Å; Y453-K455 PolarHBondContact O-N 3.29Å; Y453-H456 AromaticContact CD2-CD2 3.63Å; Y453-H456 AromaticContact CD2-NE2 3.67Å; Y453-H456 WeakPolarHBondContact O-CB 3.28Å; Y453-H456 PolarHBondContact O-N 2.92Å; Y453-I457 PolarHBondContact O-N 2.93Å; Y453-D495 VanDerWaalsContact CD1-O 3.28Å; Y453-D495 WeakPolarHBondContact CD1-O 3.38Å; Y453-D495 HydrophobicContact CE1-CB 4.43Å; Y453-D495 WeakPolarHBondContact CE1-O 3.47Å; Y453-N496 WeakPolarHBondContact CA-O 3.46Å
454L98.7Very high97.9Very high0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-58.5-40.8176-170.5145.9000112.6H456 I457 Q458 Y485 A488 K489 Q493 N496 A500 V501L454-H456 PolarHBondContact O-N 3.34Å; L454-I457 VanDerWaalsContact O-CG2 3.31Å; L454-I457 WeakPolarHBondContact O-CG2 3.12Å; L454-I457 PolarHBondContact O-N 2.95Å; L454-Q458 WeakPolarHBondContact O-CB 3.5Å; L454-Q458 PolarHBondContact O-N 3.4Å; L454-Y485 HydrophobicContact CD1-CD1 4.23Å; L454-Y485 HydrophobicContact CD1-CE1 4.49Å; L454-Y485 HydrophobicContact CD2-CD1 4.15Å; L454-Y485 HydrophobicContact CG-CD1 3.84Å; L454-Y485 HydrophobicContact CG-CE1 4.25Å; L454-A488 HydrophobicContact CD1-CB 3.74Å; L454-A488 HydrophobicContact CD2-CB 4.06Å; L454-K489 HydrophobicContact CD2-CD 4.48Å; L454-K489 HydrophobicContact CD2-CG 3.51Å; L454-Q493 VanDerWaalsContact CB-O 3.3Å; L454-Q493 WeakPolarHBondContact CB-O 3.32Å; L454-Q493 HydrophobicContact CD1-CB 3.9Å; L454-N496 PolarHBondContact N-O 3.34Å; L454-A500 HydrophobicContact CD1-CB 3.95Å; L454-V501 HydrophobicContact CD1-CB 4.37Å
455K98.5Very high97.9Very high72 Ų7240.9 Ų40.931%0.31320%0.198SC..Hα-helixtrans-61.8-28.8175.668-171.4173.5-171.40113.3Y453 K459 S494 D495Y453-K455 VanDerWaalsContact C-N 3.32Å; Y453-K455 PolarHBondContact O-N 3.29Å; K455-K459 WeakPolarHBondContact O-CB 3.17Å; K455-K459 PolarHBondContact O-N 3.27Å; K455-K459 VanDerWaalsContact O-N 3.12Å; K455-S494 WeakPolarHBondContact CB-O 3.04Å; K455-S494 WeakPolarHBondContact CG-O 3.37Å; K455-S494 PolarHBondContact N-O 2.97Å; K455-D495 WeakPolarHBondContact CD-OD1 3.45Å; K455-D495 WeakPolarHBondContact CE-OD1 3.37Å; K455-D495 IonicContact NZ-OD1 3.6Å; K455-D495 PolarHBondContact NZ-OD1 3.31Å
456H98.4Very high98Very high34 Ų3437.3 Ų37.316%0.15719%0.188CC..Hα-helixtrans-78.5-44.5-179.7-67.4-25.9000111.6Y452 Y453 L454 Q458 K459 D460Y452-H456 HydrophobicContact CE1-CB 4.39Å; Y452-H456 HydrophobicContact CE2-CB 4.33Å; Y453-H456 AromaticContact CD2-CD2 3.63Å; Y453-H456 AromaticContact CD2-NE2 3.67Å; Y453-H456 WeakPolarHBondContact O-CB 3.28Å; Y453-H456 PolarHBondContact O-N 2.92Å; L454-H456 PolarHBondContact O-N 3.34Å; H456-Q458 VanDerWaalsContact C-N 3.28Å; H456-Q458 PolarHBondContact O-N 3.19Å; H456-K459 WeakPolarHBondContact O-CB 3.46Å; H456-K459 PolarHBondContact O-N 3.12Å; H456-K459 VanDerWaalsContact O-N 3.12Å; H456-D460 PolarHBondContact O-N 3.08Å
457I98.7Very high98Very high0 Ų037.1 Ų37.10%018%0.175CC..Hα-helixtrans-64.2-35.2174.8-160.770.5000111.8N395 Y452 Y453 L454 D460 L461 Y485 I498N395-I457 HydrophobicContact CB-CD1 4.07Å; N395-I457 WeakPolarHBondContact O-CD1 3.36Å; Y452-I457 HydrophobicContact CD1-CB 4.24Å; Y452-I457 HydrophobicContact CD1-CD1 4.3Å; Y452-I457 HydrophobicContact CE1-CB 3.94Å; Y452-I457 HydrophobicContact CE1-CD1 3.8Å; Y452-I457 HydrophobicContact CE1-CG1 4.46Å; Y453-I457 PolarHBondContact O-N 2.93Å; L454-I457 VanDerWaalsContact O-CG2 3.31Å; L454-I457 WeakPolarHBondContact O-CG2 3.12Å; L454-I457 PolarHBondContact O-N 2.95Å; I457-D460 PolarHBondContact O-N 2.86Å; I457-L461 WeakPolarHBondContact O-CG 3.5Å; I457-L461 PolarHBondContact O-N 2.96Å; I457-Y485 HydrophobicContact CG2-CD1 3.72Å; I457-Y485 HydrophobicContact CG2-CE1 3.33Å; I457-Y485 HydrophobicContact CG2-CE2 4.49Å; I457-Y485 HydrophobicContact CG2-CG 4.42Å; I457-I498 HydrophobicContact CB-CG2 3.62Å; I457-I498 HydrophobicContact CG1-CG2 4.28Å; I457-I498 HydrophobicContact CG2-CB 4.04Å; I457-I498 HydrophobicContact CG2-CG2 3.42Å; I457-I498 VanDerWaalsContact CG2-CG2 3.42Å
458Q98.8Very high98Very high9 Ų934.2 Ų34.24%0.04216%0.161CC..Hα-helixtrans-64.8-40.8173.8-168.1-82.6-50.700111.7L454 H456 R462 N482 K486 K489L454-Q458 WeakPolarHBondContact O-CB 3.5Å; L454-Q458 PolarHBondContact O-N 3.4Å; H456-Q458 VanDerWaalsContact C-N 3.28Å; H456-Q458 PolarHBondContact O-N 3.19Å; Q458-R462 PolarHBondContact O-N 3.16Å; Q458-R462 VanDerWaalsContact O-N 3.07Å; Q458-N482 PolarHBondContact NE2-OD1 2.8Å; Q458-K486 HydrophobicContact CG-CG 4.35Å; Q458-K489 HydrophobicContact CB-CD 3.93Å; Q458-K489 HydrophobicContact CG-CD 3.69Å
459K98.8Very high98Very high16 Ų1639.2 Ų39.27%0.0719%0.189CC..Hα-helixtrans-60.9-45.3173172-132.662.4175.90110.3D287 T316 K455 H456 R462 L463D287-K459 HydrophobicContact CB-CD 3.78Å; D287-K459 HydrophobicContact CB-CG 4.45Å; T316-K459 PolarHBondContact O-NZ 2.81Å; K455-K459 WeakPolarHBondContact O-CB 3.17Å; K455-K459 PolarHBondContact O-N 3.27Å; K455-K459 VanDerWaalsContact O-N 3.12Å; H456-K459 WeakPolarHBondContact O-CB 3.46Å; H456-K459 PolarHBondContact O-N 3.12Å; H456-K459 VanDerWaalsContact O-N 3.12Å; K459-R462 WeakPolarHBondContact O-CB 3.28Å; K459-R462 PolarHBondContact O-N 3.15Å; K459-L463 HydrophobicContact CD-CD1 4.34Å; K459-L463 HydrophobicContact CG-CD1 4.27Å; K459-L463 WeakPolarHBondContact O-CG 3.38Å; K459-L463 PolarHBondContact O-N 2.91Å
460D98.8Very high97.9Very high0 Ų037.4 Ų37.40%018%0.184CC..Hα-helixtrans-63.6-43.3179.3-64-25.7000112.6T316 L392 N395 Y452 H456 I457 R462 L463 A464T316-D460 WeakPolarHBondContact CG2-OD1 3.49Å; L392-D460 HydrophobicContact CD2-CB 4.34Å; N395-D460 HydrophobicContact CB-CB 3.79Å; N395-D460 PolarHBondContact ND2-OD2 2.83Å; Y452-D460 PolarHBondContact OH-OD2 3.07Å; H456-D460 PolarHBondContact O-N 3.08Å; I457-D460 PolarHBondContact O-N 2.86Å; D460-R462 VanDerWaalsContact C-N 3.32Å; D460-R462 PolarHBondContact O-N 3.04Å; D460-L463 PolarHBondContact O-N 3.5Å; D460-A464 WeakPolarHBondContact O-CB 3.28Å; D460-A464 PolarHBondContact O-N 2.94Å
461L98.9Very high97.9Very high0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-58.5-44.6174.6-75.7168.2000111.5M396 I457 L463 A464 I465 A478 A481 N482 Y485M396-L461 HydrophobicContact CG-CD2 4.28Å; I457-L461 WeakPolarHBondContact O-CG 3.5Å; I457-L461 PolarHBondContact O-N 2.96Å; L461-L463 VanDerWaalsContact C-N 3.35Å; L461-L463 PolarHBondContact O-N 2.9Å; L461-A464 PolarHBondContact O-N 3.25Å; L461-I465 WeakPolarHBondContact O-CD1 3.45Å; L461-I465 WeakPolarHBondContact O-CG1 3.37Å; L461-I465 PolarHBondContact O-N 2.88Å; L461-A478 HydrophobicContact CD2-CB 4.3Å; L461-A481 HydrophobicContact CD1-CB 4.28Å; L461-N482 HydrophobicContact CB-CB 4.11Å; L461-Y485 HydrophobicContact CD1-CD2 3.25Å; L461-Y485 HydrophobicContact CD1-CE2 3.52Å; L461-Y485 HydrophobicContact CD1-CG 4.17Å
462R98.8Very high98Very high116 Ų11644.8 Ų44.844%0.43823%0.232SC..Hα-helixtrans-60.2-43.1175.6178.9179.756.972.82.9112.2Q458 K459 D460 S466Q458-R462 PolarHBondContact O-N 3.16Å; Q458-R462 VanDerWaalsContact O-N 3.07Å; K459-R462 WeakPolarHBondContact O-CB 3.28Å; K459-R462 PolarHBondContact O-N 3.15Å; D460-R462 VanDerWaalsContact C-N 3.32Å; D460-R462 PolarHBondContact O-N 3.04Å; R462-S466 PolarHBondContact O-N 2.64Å
463L98.7Very high98Very high10 Ų1049 Ų495%0.05225%0.252CS..Hα-helixtrans-68.7-39.6178.1-64.5178.6000111.6P288 D318 L392 K459 D460 L461 S466 M467P288-L463 HydrophobicContact CG-CD1 3.93Å; P288-L463 HydrophobicContact CG-CD2 4.35Å; D318-L463 HydrophobicContact CB-CD2 4.19Å; L392-L463 HydrophobicContact CD1-CB 3.85Å; L392-L463 HydrophobicContact CD2-CB 3.69Å; L392-L463 HydrophobicContact CD2-CD1 4.19Å; L392-L463 HydrophobicContact CG-CB 4.44Å; K459-L463 HydrophobicContact CD-CD1 4.34Å; K459-L463 HydrophobicContact CG-CD1 4.27Å; K459-L463 WeakPolarHBondContact O-CG 3.38Å; K459-L463 PolarHBondContact O-N 2.91Å; D460-L463 PolarHBondContact O-N 3.5Å; L461-L463 VanDerWaalsContact C-N 3.35Å; L461-L463 PolarHBondContact O-N 2.9Å; L463-S466 WeakPolarHBondContact O-CB 3.41Å; L463-S466 PolarHBondContact O-N 2.76Å; L463-M467 WeakPolarHBondContact O-CB 3.23Å; L463-M467 PolarHBondContact O-N 2.83Å
464A98.8Very high98Very high1 Ų151.3 Ų51.31%0.00827%0.274CS..Hα-helixtrans-63.9-40.2175.900000112.3L392 M396 D460 L461 M467 G468L392-A464 HydrophobicContact CB-CB 4.29Å; M396-A464 HydrophobicContact CB-CB 3.79Å; M396-A464 HydrophobicContact CG-CB 4.11Å; M396-A464 HydrophobicContact SD-CB 4.11Å; D460-A464 WeakPolarHBondContact O-CB 3.28Å; D460-A464 PolarHBondContact O-N 2.94Å; L461-A464 PolarHBondContact O-N 3.25Å; A464-M467 PolarHBondContact O-N 3.14Å; A464-G468 PolarHBondContact O-N 3.23Å
465I98.8Very high97.9Very high43 Ų4352.6 Ų52.622%0.22128%0.282CS..Hα-helixtrans-62.5-45.6173.5-68.3160.2000110.4L461 M467 G468 D469 A478 A479 N482L461-I465 WeakPolarHBondContact O-CD1 3.45Å; L461-I465 WeakPolarHBondContact O-CG1 3.37Å; L461-I465 PolarHBondContact O-N 2.88Å; I465-M467 VanDerWaalsContact C-N 3.31Å; I465-M467 PolarHBondContact O-N 2.97Å; I465-G468 WeakPolarHBondContact O-CA 3.33Å; I465-G468 PolarHBondContact O-N 3.34Å; I465-G468 VanDerWaalsContact O-N 3.12Å; I465-D469 PolarHBondContact O-N 2.77Å; I465-A478 HydrophobicContact CG1-CB 4.04Å; I465-A479 HydrophobicContact CD1-CB 4.49Å; I465-N482 HydrophobicContact CD1-CB 3.58Å
466S98.4Very high97.9Very high58 Ų5853.2 Ų53.241%0.40629%0.293SS..Hα-helixtrans-60.3-41176.7-1670000112.1R462 L463 G468 D469 M470R462-S466 PolarHBondContact O-N 2.64Å; L463-S466 WeakPolarHBondContact O-CB 3.41Å; L463-S466 PolarHBondContact O-N 2.76Å; S466-G468 VanDerWaalsContact C-N 3.33Å; S466-D469 WeakPolarHBondContact O-CB 3.17Å; S466-D469 PolarHBondContact O-N 2.93Å; S466-M470 WeakPolarHBondContact O-CG 3.28Å; S466-M470 PolarHBondContact O-N 3.04Å
467M97.7Very high98Very high40 Ų4058.2 Ų58.220%0.19732%0.319CS..Hα-helixtrans-64.4-38.5174.8178.318067.300111.7R389 L392 I393 L463 A464 I465 A471R389-M467 HydrophobicContact CB-SD 3.97Å; R389-M467 HydrophobicContact CG-SD 3.77Å; L392-M467 HydrophobicContact CB-CE 4.02Å; L392-M467 HydrophobicContact CD1-SD 4.4Å; I393-M467 HydrophobicContact CD1-CE 4.48Å; I393-M467 HydrophobicContact CG1-CE 3.84Å; L463-M467 WeakPolarHBondContact O-CB 3.23Å; L463-M467 PolarHBondContact O-N 2.83Å; A464-M467 PolarHBondContact O-N 3.14Å; I465-M467 VanDerWaalsContact C-N 3.31Å; I465-M467 PolarHBondContact O-N 2.97Å; M467-A471 PolarHBondContact O-N 3.28Å
468G97.7Very high98Very high7 Ų758.4 Ų58.47%0.07232%0.32CS..Hα-helixtrans-60.9-44.617200000112.3A464 I465 S466 A471 N472 H473A464-G468 PolarHBondContact O-N 3.23Å; I465-G468 WeakPolarHBondContact O-CA 3.33Å; I465-G468 PolarHBondContact O-N 3.34Å; I465-G468 VanDerWaalsContact O-N 3.12Å; S466-G468 VanDerWaalsContact C-N 3.33Å; G468-A471 CarbonylContact O-C 3.58Å; G468-A471 PolarHBondContact O-N 3.08Å; G468-A471 VanDerWaalsContact O-N 3.16Å; G468-N472 PolarHBondContact O-N 2.85Å; G468-N472 VanDerWaalsContact O-N 3.12Å; G468-H473 CarbonylContact C-O 3.52Å; G468-H473 PolarHBondContact O-N 3.18Å
469D97.6Very high98Very high121 Ų12159.8 Ų59.865%0.64733%0.333SS*.Hα-helixtrans-59.7-48.1177.3-171.744.8000112I465 S466 A471 N472I465-D469 PolarHBondContact O-N 2.77Å; S466-D469 WeakPolarHBondContact O-CB 3.17Å; S466-D469 PolarHBondContact O-N 2.93Å; D469-A471 PolarHBondContact O-N 2.75Å; D469-N472 WeakPolarHBondContact O-CA 3.19Å; D469-N472 PolarHBondContact O-N 3.29Å
470M95.3Very high98Very high113 Ų11361.9 Ų61.956%0.55735%0.354SS*.Hα-helixtrans-59.3-31.5175.8-69.3179.963.400113.3E320 S466 N472E320-M470 HydrophobicContact CG-CE 4.16Å; E320-M470 HydrophobicContact CG-SD 4.48Å; E320-M470 WeakPolarHBondContact OE1-CE 3.3Å; E320-M470 VanDerWaalsContact OE1-SD 3.38Å; S466-M470 WeakPolarHBondContact O-CG 3.28Å; S466-M470 PolarHBondContact O-N 3.04Å; M470-N472 VanDerWaalsContact C-N 3.32Å
471A95.3Very high98Very high69 Ų6962.2 Ų62.257%0.5736%0.356SS*.THydrogen-bonded Turntrans-86.81.417600000113.6M467 G468 D469 H473M467-A471 PolarHBondContact O-N 3.28Å; G468-A471 CarbonylContact O-C 3.58Å; G468-A471 PolarHBondContact O-N 3.08Å; G468-A471 VanDerWaalsContact O-N 3.16Å; D469-A471 PolarHBondContact O-N 2.75Å; A471-H473 HydrophobicContact CB-CB 4.21Å; A471-H473 PolarHBondContact O-N 3.11Å
472N95.9Very high98Very high147 Ų14762.6 Ų62.679%0.78636%0.358SS*.THydrogen-bonded Turntrans5039-168.7-60.9-75.5000112.4G468 D469 M470G468-N472 PolarHBondContact O-N 2.85Å; G468-N472 VanDerWaalsContact O-N 3.12Å; D469-N472 WeakPolarHBondContact O-CA 3.19Å; D469-N472 PolarHBondContact O-N 3.29Å; M470-N472 VanDerWaalsContact C-N 3.32Å
473H97.1Very high98Very high115 Ų11561.8 Ų61.853%0.53236%0.359SS..  trans-112.9108.3-178-171.484.4000110.6G468 A471 T475G468-H473 CarbonylContact C-O 3.52Å; G468-H473 PolarHBondContact O-N 3.18Å; A471-H473 HydrophobicContact CB-CB 4.21Å; A471-H473 PolarHBondContact O-N 3.11Å; H473-T475 PolarHBondContact O-N 3.45Å
474P97.6Very high98Very high107 Ų10762.7 Ų62.770%0.69537%0.365SS*.  trans-61.2132.4178.6-24.334.4000112.8P476P474-P476 VanDerWaalsContact C-CD 3.42Å; P474-P476 WeakPolarHBondContact O-CD 3.29Å
475T98.5Very high98Very high27 Ų2762.7 Ų62.717%0.16637%0.365CS..  trans-123.358.7179.650.30000112.3M396 H473 M477 A478 A479M396-T475 HydrophobicContact SD-CG2 4.19Å; H473-T475 PolarHBondContact O-N 3.45Å; T475-M477 VanDerWaalsContact C-N 3.32Å; T475-M477 PolarHBondContact O-N 3.43Å; T475-A478 PolarHBondContact O-N 2.81Å; T475-A478 VanDerWaalsContact O-N 3.13Å; T475-A479 PolarHBondContact O-N 2.93Å
476P98.4Very high98Very high84 Ų8464.6 Ų64.655%0.54537%0.372SS..Hα-helixtrans-60.6-35.9-168.724.8-35.2000114P474 A479 A480P474-P476 VanDerWaalsContact C-CD 3.42Å; P474-P476 WeakPolarHBondContact O-CD 3.29Å; P476-A479 PolarHBondContact O-N 3.23Å; P476-A480 PolarHBondContact O-N 2.7Å
477M98.8Very high98Very high140 Ų14069.3 Ų69.369%0.6938%0.381SS*.Hα-helixtrans-65.7-44177.8-62.7-60.997.100111.7T475 A479 A480 A481T475-M477 VanDerWaalsContact C-N 3.32Å; T475-M477 PolarHBondContact O-N 3.43Å; M477-A479 VanDerWaalsContact C-N 3.34Å; M477-A480 PolarHBondContact O-N 3.49Å; M477-A481 WeakPolarHBondContact O-CB 3.49Å; M477-A481 PolarHBondContact O-N 2.9Å
478A98.7Very high98Very high3 Ų367.4 Ų67.43%0.02537%0.371CS..Hα-helixtrans-65.8-39.6176.500000111.4M396 L461 I465 T475 A481 N482M396-A478 HydrophobicContact CG-CB 3.54Å; M396-A478 HydrophobicContact SD-CB 3.73Å; L461-A478 HydrophobicContact CD2-CB 4.3Å; I465-A478 HydrophobicContact CG1-CB 4.04Å; T475-A478 PolarHBondContact O-N 2.81Å; T475-A478 VanDerWaalsContact O-N 3.13Å; A478-A481 PolarHBondContact O-N 3.19Å; A478-N482 VanDerWaalsContact O-CB 3.24Å; A478-N482 WeakPolarHBondContact O-CB 3.45Å; A478-N482 PolarHBondContact O-N 3.5Å
479A98.8Very high98.1Very high39 Ų3970.4 Ų70.432%0.32238%0.382SS..Hα-helixtrans-59.6-48.5176.200000111.7I465 T475 P476 M477 N482 E483I465-A479 HydrophobicContact CD1-CB 4.49Å; T475-A479 PolarHBondContact O-N 2.93Å; P476-A479 PolarHBondContact O-N 3.23Å; M477-A479 VanDerWaalsContact C-N 3.34Å; A479-N482 PolarHBondContact O-N 3.24Å; A479-E483 PolarHBondContact O-N 3.48Å
480A98.8Very high98.1Very high60 Ų6068.6 Ų68.650%0.49638%0.384SS..Hα-helixtrans-59.7-50.4175.800000111.7P476 M477 N482 E483 V484P476-A480 PolarHBondContact O-N 2.7Å; M477-A480 PolarHBondContact O-N 3.49Å; A480-N482 VanDerWaalsContact C-N 3.32Å; A480-N482 PolarHBondContact O-N 3.06Å; A480-E483 PolarHBondContact O-N 3.43Å; A480-V484 PolarHBondContact O-N 3.07Å
481A98.8Very high98.3Very high6 Ų667.3 Ų67.35%0.0538%0.379CS..Hα-helixtrans-58-44.3178.300000111.9A403 L461 M477 A478 E483 V484 Y485A403-A481 HydrophobicContact CB-CB 4.16Å; L461-A481 HydrophobicContact CD1-CB 4.28Å; M477-A481 WeakPolarHBondContact O-CB 3.49Å; M477-A481 PolarHBondContact O-N 2.9Å; A478-A481 PolarHBondContact O-N 3.19Å; A481-E483 VanDerWaalsContact C-N 3.3Å; A481-E483 PolarHBondContact O-N 2.92Å; A481-V484 WeakPolarHBondContact O-CB 3.49Å; A481-V484 PolarHBondContact O-N 2.73Å; A481-V484 VanDerWaalsContact O-N 3.1Å; A481-Y485 WeakPolarHBondContact O-CD2 3.22Å; A481-Y485 PolarHBondContact O-N 3.29Å
482N98.9Very high98.4Very high8 Ų870.8 Ų70.84%0.04339%0.388CS..Hα-helixtrans-57.7-40.4179.7178.660.9000112.7Q458 L461 I465 A478 A479 A480 Y485 K486Q458-N482 PolarHBondContact NE2-OD1 2.8Å; L461-N482 HydrophobicContact CB-CB 4.11Å; I465-N482 HydrophobicContact CD1-CB 3.58Å; A478-N482 VanDerWaalsContact O-CB 3.24Å; A478-N482 WeakPolarHBondContact O-CB 3.45Å; A478-N482 PolarHBondContact O-N 3.5Å; A479-N482 PolarHBondContact O-N 3.24Å; A480-N482 VanDerWaalsContact C-N 3.32Å; A480-N482 PolarHBondContact O-N 3.06Å; N482-Y485 PolarHBondContact O-N 3.13Å; N482-K486 VanDerWaalsContact ND2-CE 3.34Å; N482-K486 WeakPolarHBondContact ND2-CE 3.42Å; N482-K486 PolarHBondContact ND2-NZ 3.27Å; N482-K486 WeakPolarHBondContact O-CG 3.42Å; N482-K486 PolarHBondContact O-N 2.82Å
483E98.9Very high98.6Very high99 Ų9964.8 Ų64.846%0.46336%0.355SS..Hα-helixtrans-68-36.4177.1-60.8-43.6115.900112.2A479 A480 A481 K486 R487A479-E483 PolarHBondContact O-N 3.48Å; A480-E483 PolarHBondContact O-N 3.43Å; A481-E483 VanDerWaalsContact C-N 3.3Å; A481-E483 PolarHBondContact O-N 2.92Å; E483-K486 VanDerWaalsContact CD-NZ 3.3Å; E483-K486 PolarHBondContact O-N 3.08Å; E483-K486 WeakPolarHBondContact OE1-CE 3.32Å; E483-K486 IonicContact OE1-NZ 2.93Å; E483-K486 PolarHBondContact OE1-NZ 2.88Å; E483-K486 WeakPolarHBondContact OE2-CD 3.49Å; E483-K486 IonicContact OE2-NZ 3.65Å; E483-K486 PolarHBondContact OE2-NZ 2.96Å; E483-K486 VanDerWaalsContact OE2-NZ 3.09Å; E483-R487 PolarHBondContact O-N 3.03Å
484V98.8Very high98.6Very high30 Ų3060.9 Ų60.918%0.18234%0.341CS..Hα-helixtrans-63.7-42.6172.8-178.60000111A480 A481 K486 R487 A488 V501 A504 Y505A480-V484 PolarHBondContact O-N 3.07Å; A481-V484 WeakPolarHBondContact O-CB 3.49Å; A481-V484 PolarHBondContact O-N 2.73Å; A481-V484 VanDerWaalsContact O-N 3.1Å; V484-K486 VanDerWaalsContact C-N 3.34Å; V484-K486 PolarHBondContact O-N 2.97Å; V484-R487 WeakPolarHBondContact O-CB 3.34Å; V484-R487 PolarHBondContact O-N 3.2Å; V484-A488 PolarHBondContact O-N 2.63Å; V484-V501 HydrophobicContact CB-CG2 4.46Å; V484-V501 HydrophobicContact CG1-CG2 3.59Å; V484-A504 HydrophobicContact CG1-CB 3.97Å; V484-Y505 HydrophobicContact CG1-CD2 4.18Å; V484-Y505 HydrophobicContact CG1-CE2 3.41Å; V484-Y505 VanDerWaalsContact CG1-CE2 3.41Å
485Y98.9Very high98.7Very high0 Ų060.2 Ų60.20%033%0.331CS..Hα-helixtrans-65.5-35.3174.9-80-76000112.9G399 M402 A403 L454 I457 L461 A481 N482 R487 A488 K489 V501G399-Y485 VanDerWaalsContact O-CE2 3.27Å; G399-Y485 WeakPolarHBondContact O-CE2 3.27Å; G399-Y485 PolarHBondContact O-OH 3.44Å; M402-Y485 WeakPolarHBondContact CB-OH 3.49Å; A403-Y485 HydrophobicContact CB-CE2 4.33Å; L454-Y485 HydrophobicContact CD1-CD1 4.23Å; L454-Y485 HydrophobicContact CD1-CE1 4.49Å; L454-Y485 HydrophobicContact CD2-CD1 4.15Å; L454-Y485 HydrophobicContact CG-CD1 3.84Å; L454-Y485 HydrophobicContact CG-CE1 4.25Å; I457-Y485 HydrophobicContact CG2-CD1 3.72Å; I457-Y485 HydrophobicContact CG2-CE1 3.33Å; I457-Y485 HydrophobicContact CG2-CE2 4.49Å; I457-Y485 HydrophobicContact CG2-CG 4.42Å; L461-Y485 HydrophobicContact CD1-CD2 3.25Å; L461-Y485 HydrophobicContact CD1-CE2 3.52Å; L461-Y485 HydrophobicContact CD1-CG 4.17Å; A481-Y485 WeakPolarHBondContact O-CD2 3.22Å; A481-Y485 PolarHBondContact O-N 3.29Å; N482-Y485 PolarHBondContact O-N 3.13Å; Y485-R487 VanDerWaalsContact C-N 3.35Å; Y485-A488 PolarHBondContact O-N 2.99Å; Y485-K489 WeakPolarHBondContact O-CG 3.42Å; Y485-K489 PolarHBondContact O-N 2.8Å; Y485-V501 HydrophobicContact CD1-CB 3.94Å; Y485-V501 HydrophobicContact CD1-CG2 3.78Å; Y485-V501 HydrophobicContact CD2-CG2 4.32Å; Y485-V501 HydrophobicContact CE1-CB 3.55Å; Y485-V501 HydrophobicContact CE1-CG1 4.08Å; Y485-V501 HydrophobicContact CE1-CG2 3.74Å; Y485-V501 HydrophobicContact CE2-CG2 4.25Å; Y485-V501 HydrophobicContact CG-CG2 4.09Å
486K98.8Very high98.7Very high84 Ų8461 Ų6137%0.36534%0.335SS..Hα-helixtrans-63.2-41.1171.8-73.2172.8-176.4168.30111.6Q458 N482 E483 V484 K489 A490Q458-K486 HydrophobicContact CG-CG 4.35Å; N482-K486 VanDerWaalsContact ND2-CE 3.34Å; N482-K486 WeakPolarHBondContact ND2-CE 3.42Å; N482-K486 PolarHBondContact ND2-NZ 3.27Å; N482-K486 WeakPolarHBondContact O-CG 3.42Å; N482-K486 PolarHBondContact O-N 2.82Å; E483-K486 VanDerWaalsContact CD-NZ 3.3Å; E483-K486 PolarHBondContact O-N 3.08Å; E483-K486 WeakPolarHBondContact OE1-CE 3.32Å; E483-K486 IonicContact OE1-NZ 2.93Å; E483-K486 PolarHBondContact OE1-NZ 2.88Å; E483-K486 WeakPolarHBondContact OE2-CD 3.49Å; E483-K486 IonicContact OE2-NZ 3.65Å; E483-K486 PolarHBondContact OE2-NZ 2.96Å; E483-K486 VanDerWaalsContact OE2-NZ 3.09Å; V484-K486 VanDerWaalsContact C-N 3.34Å; V484-K486 PolarHBondContact O-N 2.97Å; K486-K489 WeakPolarHBondContact O-CB 3.37Å; K486-K489 PolarHBondContact O-N 3.27Å; K486-A490 PolarHBondContact O-N 3.11Å
487R98.8Very high98.7Very high157 Ų15757 Ų5759%0.59231%0.309SS*.Hα-helixtrans-58.4-48.2171.7179-175.7-66-94.40.8110.9E483 V484 Y485 K489 A490 L491 A504E483-R487 PolarHBondContact O-N 3.03Å; V484-R487 WeakPolarHBondContact O-CB 3.34Å; V484-R487 PolarHBondContact O-N 3.2Å; Y485-R487 VanDerWaalsContact C-N 3.35Å; R487-K489 VanDerWaalsContact C-N 3.29Å; R487-K489 PolarHBondContact O-N 3.09Å; R487-A490 WeakPolarHBondContact O-CB 3.48Å; R487-A490 PolarHBondContact O-N 3.05Å; R487-A490 VanDerWaalsContact O-N 3.08Å; R487-L491 HydrophobicContact CG-CD1 4.33Å; R487-L491 WeakPolarHBondContact O-CG 3.29Å; R487-L491 PolarHBondContact O-N 3.15Å; R487-L491 VanDerWaalsContact O-N 3.09Å; R487-A504 HydrophobicContact CB-CB 4.3Å; R487-A504 VanDerWaalsContact CD-O 3.29Å; R487-A504 WeakPolarHBondContact CD-O 3.23Å; R487-A504 HydrophobicContact CG-CB 4.02Å
488A98.7Very high98.7Very high0 Ų050.3 Ų50.30%028%0.276CS..Hα-helixtrans-58.4-40.8176.400000112.2L454 V484 Y485 A490 L491 Q493 A504L454-A488 HydrophobicContact CD1-CB 3.74Å; L454-A488 HydrophobicContact CD2-CB 4.06Å; V484-A488 PolarHBondContact O-N 2.63Å; Y485-A488 PolarHBondContact O-N 2.99Å; A488-A490 VanDerWaalsContact C-N 3.35Å; A488-A490 PolarHBondContact O-N 2.83Å; A488-L491 CarbonylContact O-C 3.56Å; A488-L491 PolarHBondContact O-N 3.47Å; A488-L491 VanDerWaalsContact O-N 3.13Å; A488-Q493 HydrophobicContact CB-CB 4.3Å; A488-Q493 WeakPolarHBondContact O-CB 3.42Å; A488-Q493 VanDerWaalsContact O-CG 3.32Å; A488-Q493 WeakPolarHBondContact O-CG 3.5Å; A488-Q493 PolarHBondContact O-N 3.31Å; A488-Q493 VanDerWaalsContact O-N 3.09Å; A488-A504 HydrophobicContact CB-CB 3.99Å
489K98.6Very high98.6Very high70 Ų7050.2 Ų50.230%0.30428%0.275SS..Hα-helixtrans-62.5-39.4174.4-71.317668.6-170.40112.8L454 Q458 Y485 K486 R487 L491 D492L454-K489 HydrophobicContact CD2-CD 4.48Å; L454-K489 HydrophobicContact CD2-CG 3.51Å; Q458-K489 HydrophobicContact CB-CD 3.93Å; Q458-K489 HydrophobicContact CG-CD 3.69Å; Y485-K489 WeakPolarHBondContact O-CG 3.42Å; Y485-K489 PolarHBondContact O-N 2.8Å; K486-K489 WeakPolarHBondContact O-CB 3.37Å; K486-K489 PolarHBondContact O-N 3.27Å; R487-K489 VanDerWaalsContact C-N 3.29Å; R487-K489 PolarHBondContact O-N 3.09Å; K489-L491 PolarHBondContact O-N 2.9Å; K489-D492 PolarHBondContact O-N 3.4Å; K489-D492 VanDerWaalsContact O-N 3.13Å
490A98.6Very high98.6Very high82 Ų8248.3 Ų48.368%0.67826%0.259SS*.Hα-helixtrans-67.6-19.9175.900000112.8K486 R487 A488 D492K486-A490 PolarHBondContact O-N 3.11Å; R487-A490 WeakPolarHBondContact O-CB 3.48Å; R487-A490 PolarHBondContact O-N 3.05Å; R487-A490 VanDerWaalsContact O-N 3.08Å; A488-A490 VanDerWaalsContact C-N 3.35Å; A488-A490 PolarHBondContact O-N 2.83Å; A490-D492 VanDerWaalsContact C-N 3.29Å
491L98.4Very high98.6Very high86 Ų8645.5 Ų45.545%0.4524%0.236SC..THydrogen-bonded Turntrans-9326.2171.3-61.2172000112.1R487 A488 K489 Q493R487-L491 HydrophobicContact CG-CD1 4.33Å; R487-L491 WeakPolarHBondContact O-CG 3.29Å; R487-L491 PolarHBondContact O-N 3.15Å; R487-L491 VanDerWaalsContact O-N 3.09Å; A488-L491 CarbonylContact O-C 3.56Å; A488-L491 PolarHBondContact O-N 3.47Å; A488-L491 VanDerWaalsContact O-N 3.13Å; K489-L491 PolarHBondContact O-N 2.9Å; L491-Q493 VanDerWaalsContact C-N 3.26Å; L491-Q493 HydrophobicContact CB-CG 4.34Å; L491-Q493 WeakPolarHBondContact O-CG 3.25Å; L491-Q493 PolarHBondContact O-N 2.72Å; L491-Q493 PolarHBondContact O-NE2 3.26Å
492D98.6Very high98.6Very high142 Ų14246.6 Ų46.676%0.75924%0.239SC*.THydrogen-bonded Turntrans59.626.3177.7-60.7-50000115.8K489 A490 S494K489-D492 PolarHBondContact O-N 3.4Å; K489-D492 VanDerWaalsContact O-N 3.13Å; A490-D492 VanDerWaalsContact C-N 3.29Å; D492-S494 VanDerWaalsContact C-N 3.34Å
493Q98.6Very high98.6Very high22 Ų2250.4 Ų50.410%0.10325%0.252CS..  trans-90.35.7-179.7-53.2-53.8-53.700114.1L454 A488 L491 D495 N496 A500 R503L454-Q493 VanDerWaalsContact CB-O 3.3Å; L454-Q493 WeakPolarHBondContact CB-O 3.32Å; L454-Q493 HydrophobicContact CD1-CB 3.9Å; A488-Q493 HydrophobicContact CB-CB 4.3Å; A488-Q493 WeakPolarHBondContact O-CB 3.42Å; A488-Q493 VanDerWaalsContact O-CG 3.32Å; A488-Q493 WeakPolarHBondContact O-CG 3.5Å; A488-Q493 PolarHBondContact O-N 3.31Å; A488-Q493 VanDerWaalsContact O-N 3.09Å; L491-Q493 VanDerWaalsContact C-N 3.26Å; L491-Q493 HydrophobicContact CB-CG 4.34Å; L491-Q493 WeakPolarHBondContact O-CG 3.25Å; L491-Q493 PolarHBondContact O-N 2.72Å; L491-Q493 PolarHBondContact O-NE2 3.26Å; Q493-D495 VanDerWaalsContact C-N 3.27Å; Q493-D495 PolarHBondContact O-N 3.08Å; Q493-D495 VanDerWaalsContact O-N 3.17Å; Q493-N496 PolarHBondContact O-N 3.38Å; Q493-N496 VanDerWaalsContact O-N 3.12Å; Q493-N496 PolarHBondContact OE1-ND2 2.97Å; Q493-A500 HydrophobicContact CB-CB 4.07Å; Q493-A500 HydrophobicContact CG-CB 4.43Å; Q493-R503 VanDerWaalsContact CD-CD 3.46Å; Q493-R503 HydrophobicContact CG-CB 4.31Å
494S98.4Very high98.6Very high33 Ų3346.3 Ų46.323%0.23124%0.236CC..THydrogen-bonded Turntrans-53.9-39.3-172.1-70.90000114.4K455 D492K455-S494 WeakPolarHBondContact CB-O 3.04Å; K455-S494 WeakPolarHBondContact CG-O 3.37Å; K455-S494 PolarHBondContact N-O 2.97Å; D492-S494 VanDerWaalsContact C-N 3.34Å
495D98.3Very high98.5Very high92 Ų9247.2 Ų47.249%0.49224%0.236SC..THydrogen-bonded Turntrans-99.75.3-174.9-67.1-21000113.5Y453 K455 Q493Y453-D495 VanDerWaalsContact CD1-O 3.28Å; Y453-D495 WeakPolarHBondContact CD1-O 3.38Å; Y453-D495 HydrophobicContact CE1-CB 4.43Å; Y453-D495 WeakPolarHBondContact CE1-O 3.47Å; K455-D495 WeakPolarHBondContact CD-OD1 3.45Å; K455-D495 WeakPolarHBondContact CE-OD1 3.37Å; K455-D495 IonicContact NZ-OD1 3.6Å; K455-D495 PolarHBondContact NZ-OD1 3.31Å; Q493-D495 VanDerWaalsContact C-N 3.27Å; Q493-D495 PolarHBondContact O-N 3.08Å; Q493-D495 VanDerWaalsContact O-N 3.17Å
496N98.6Very high98.2Very high44 Ų4451.9 Ų51.924%0.23526%0.26CS..SBendtrans-88.8173.4170.6-68.7-38.2000111F448 Y453 L454 Q493 A500F448-N496 HydrophobicContact CB-CB 4.07Å; Y453-N496 WeakPolarHBondContact CA-O 3.46Å; L454-N496 PolarHBondContact N-O 3.34Å; Q493-N496 PolarHBondContact O-N 3.38Å; Q493-N496 VanDerWaalsContact O-N 3.12Å; Q493-N496 PolarHBondContact OE1-ND2 2.97Å; N496-A500 HydrophobicContact CB-CB 3.69Å
497D98.6Very high97.3Very high0 Ų059.4 Ų59.40%030%0.296CS..BIsolated β-bridgetrans-59.2155.4173.4-167.9-106.4000112.2K439 F448 D451 Y452 S499 A500K439-D497 IonicContact NZ-OD1 3.54Å; K439-D497 PolarHBondContact NZ-OD1 2.74Å; K439-D497 IonicContact NZ-OD2 3.73Å; K439-D497 PolarHBondContact NZ-OD2 3.16Å; F448-D497 PolarHBondContact O-N 2.92Å; D451-D497 PolarHBondContact N-OD2 2.8Å; Y452-D497 PolarHBondContact N-OD2 2.98Å; Y452-D497 CarbonylContact O-C 3.48Å; Y452-D497 VanDerWaalsContact O-CA 3.29Å; Y452-D497 WeakPolarHBondContact O-CA 3.38Å; D497-S499 PolarHBondContact O-N 2.82Å; D497-S499 VanDerWaalsContact O-N 3.09Å; D497-S499 WeakPolarHBondContact OD1-CB 3.27Å; D497-S499 PolarHBondContact OD1-N 2.63Å; D497-S499 PolarHBondContact OD1-OG 2.76Å; D497-S499 VanDerWaalsContact OD1-OG 3.11Å; D497-A500 WeakPolarHBondContact O-CB 3.31Å; D497-A500 PolarHBondContact O-N 2.89Å
498I98.3Very high97.2Very high0 Ų054.6 Ų54.60%028%0.282CS..G310 helixtrans-51.9-30.8172.263.4175.8000113.5M402 F435 Y452 I457 A500 V501M402-I498 HydrophobicContact CG-CD1 4.42Å; M402-I498 HydrophobicContact CG-CG1 4.28Å; F435-I498 HydrophobicContact CE2-CD1 3.89Å; F435-I498 HydrophobicContact CZ-CD1 3.87Å; Y452-I498 HydrophobicContact CD1-CG2 3.52Å; Y452-I498 HydrophobicContact CE1-CG2 4.43Å; Y452-I498 HydrophobicContact CG-CG2 4.2Å; Y452-I498 VanDerWaalsContact O-CG2 3.3Å; Y452-I498 WeakPolarHBondContact O-CG2 3.46Å; Y452-I498 PolarHBondContact O-N 3.49Å; I457-I498 HydrophobicContact CB-CG2 3.62Å; I457-I498 HydrophobicContact CG1-CG2 4.28Å; I457-I498 HydrophobicContact CG2-CB 4.04Å; I457-I498 HydrophobicContact CG2-CG2 3.42Å; I457-I498 VanDerWaalsContact CG2-CG2 3.42Å; I498-A500 PolarHBondContact O-N 2.82Å; I498-A500 VanDerWaalsContact O-N 3.17Å; I498-V501 WeakPolarHBondContact O-CB 3.41Å; I498-V501 WeakPolarHBondContact O-CG1 3.47Å; I498-V501 PolarHBondContact O-N 2.88Å; I498-V501 VanDerWaalsContact O-N 3.17Å
499S98.5Very high97.1Very high0 Ų057.4 Ų57.40%030%0.296CS..G310 helixtrans-64.3-17.5177.163.60000113.2F448 D497 V501 Y502F448-S499 WeakPolarHBondContact CD1-OG 3.37Å; F448-S499 WeakPolarHBondContact CE1-O 3.36Å; D497-S499 PolarHBondContact O-N 2.82Å; D497-S499 VanDerWaalsContact O-N 3.09Å; D497-S499 WeakPolarHBondContact OD1-CB 3.27Å; D497-S499 PolarHBondContact OD1-N 2.63Å; D497-S499 PolarHBondContact OD1-OG 2.76Å; D497-S499 VanDerWaalsContact OD1-OG 3.11Å; S499-V501 PolarHBondContact O-N 2.95Å; S499-V501 VanDerWaalsContact O-N 3.08Å; S499-Y502 WeakPolarHBondContact O-CB 3.23Å; S499-Y502 PolarHBondContact O-N 2.69Å
500A98.7Very high97.1Very high0 Ų056.7 Ų56.70%030%0.296CS..G310 helixtrans-65.6-8.4175.100000113.3F448 L454 Q493 N496 D497 I498 Y502 R503F448-A500 HydrophobicContact CB-CB 4.14Å; F448-A500 VanDerWaalsContact CD1-CA 3.42Å; F448-A500 HydrophobicContact CD1-CB 3.71Å; F448-A500 HydrophobicContact CE1-CB 4.38Å; F448-A500 HydrophobicContact CG-CB 4.04Å; L454-A500 HydrophobicContact CD1-CB 3.95Å; Q493-A500 HydrophobicContact CB-CB 4.07Å; Q493-A500 HydrophobicContact CG-CB 4.43Å; N496-A500 HydrophobicContact CB-CB 3.69Å; D497-A500 WeakPolarHBondContact O-CB 3.31Å; D497-A500 PolarHBondContact O-N 2.89Å; I498-A500 PolarHBondContact O-N 2.82Å; I498-A500 VanDerWaalsContact O-N 3.17Å; A500-Y502 PolarHBondContact O-N 2.62Å; A500-Y502 VanDerWaalsContact O-N 3.15Å; A500-R503 WeakPolarHBondContact O-CB 3.38Å; A500-R503 PolarHBondContact O-N 3.1Å
501V98.8Very high97Very high0 Ų055.2 Ų55.20%027%0.273CS..G310 helixtrans-55.3-26165.673.60000111.9M402 A406 L454 V484 Y485 I498 S499 R503 A504M402-V501 HydrophobicContact CG-CG1 3.96Å; A406-V501 HydrophobicContact CB-CG1 3.99Å; L454-V501 HydrophobicContact CD1-CB 4.37Å; V484-V501 HydrophobicContact CB-CG2 4.46Å; V484-V501 HydrophobicContact CG1-CG2 3.59Å; Y485-V501 HydrophobicContact CD1-CB 3.94Å; Y485-V501 HydrophobicContact CD1-CG2 3.78Å; Y485-V501 HydrophobicContact CD2-CG2 4.32Å; Y485-V501 HydrophobicContact CE1-CB 3.55Å; Y485-V501 HydrophobicContact CE1-CG1 4.08Å; Y485-V501 HydrophobicContact CE1-CG2 3.74Å; Y485-V501 HydrophobicContact CE2-CG2 4.25Å; Y485-V501 HydrophobicContact CG-CG2 4.09Å; I498-V501 WeakPolarHBondContact O-CB 3.41Å; I498-V501 WeakPolarHBondContact O-CG1 3.47Å; I498-V501 PolarHBondContact O-N 2.88Å; I498-V501 VanDerWaalsContact O-N 3.17Å; S499-V501 PolarHBondContact O-N 2.95Å; S499-V501 VanDerWaalsContact O-N 3.08Å; V501-R503 PolarHBondContact O-N 2.92Å; V501-A504 VanDerWaalsContact O-CB 3.24Å; V501-A504 WeakPolarHBondContact O-CB 3.36Å; V501-A504 PolarHBondContact O-N 3.15Å
502Y98.8Very high96.9Very high30 Ų3053.3 Ų53.312%0.11826%0.262CS..G310 helixtrans-47.9-40.1168.6179.3-98.7000113.2A406 L409 T410 Q419 I443 F448 S499 A500 A504 Y505 I506A406-Y502 HydrophobicContact CB-CD2 4.38Å; L409-Y502 HydrophobicContact CB-CD2 4.33Å; L409-Y502 HydrophobicContact CB-CE2 3.92Å; T410-Y502 HydrophobicContact CG2-CD2 3.76Å; T410-Y502 HydrophobicContact CG2-CE2 3.24Å; Q419-Y502 PolarHBondContact NE2-OH 3.25Å; I443-Y502 HydrophobicContact CD1-CD2 4.09Å; I443-Y502 HydrophobicContact CD1-CG 4.18Å; I443-Y502 HydrophobicContact CG1-CD2 4.46Å; I443-Y502 HydrophobicContact CG1-CG 4.21Å; I443-Y502 HydrophobicContact CG2-CD1 3.87Å; I443-Y502 HydrophobicContact CG2-CD2 3.63Å; I443-Y502 HydrophobicContact CG2-CE1 3.94Å; I443-Y502 HydrophobicContact CG2-CE2 3.7Å; I443-Y502 HydrophobicContact CG2-CG 3.73Å; F448-Y502 HydrophobicContact CZ-CD1 4.17Å; S499-Y502 WeakPolarHBondContact O-CB 3.23Å; S499-Y502 PolarHBondContact O-N 2.69Å; A500-Y502 PolarHBondContact O-N 2.62Å; A500-Y502 VanDerWaalsContact O-N 3.15Å; Y502-A504 PolarHBondContact O-N 2.91Å; Y502-Y505 PolarHBondContact O-N 2.83Å; Y502-Y505 VanDerWaalsContact O-N 3.07Å; Y502-I506 HydrophobicContact CD1-CD1 4.04Å; Y502-I506 HydrophobicContact CD1-CG1 4.36Å; Y502-I506 HydrophobicContact CE1-CD1 3.77Å; Y502-I506 HydrophobicContact CE1-CG1 4.01Å
503R98.3Very high96.8Very high87 Ų8747.4 Ų47.433%0.32823%0.229SC..G310 helixtrans-68.4-15.7-179.7-68.9172168.2173-4.5113.7F448 Q493 A500 V501 Y505 I506F448-R503 VanDerWaalsContact CD2-CZ 3.43Å; F448-R503 VanDerWaalsContact CD2-NH2 3.34Å; Q493-R503 VanDerWaalsContact CD-CD 3.46Å; Q493-R503 HydrophobicContact CG-CB 4.31Å; A500-R503 WeakPolarHBondContact O-CB 3.38Å; A500-R503 PolarHBondContact O-N 3.1Å; V501-R503 PolarHBondContact O-N 2.92Å; R503-Y505 PolarHBondContact O-N 2.68Å; R503-I506 HydrophobicContact CB-CD1 4.39Å; R503-I506 HydrophobicContact CG-CD1 4.06Å
504A98.2Very high96.6Very high14 Ų1449.2 Ų49.212%0.11624%0.238CC..G310 helixtrans-74.6-13.5173.400000113.5V484 R487 A488 V501 Y502V484-A504 HydrophobicContact CG1-CB 3.97Å; R487-A504 HydrophobicContact CB-CB 4.3Å; R487-A504 VanDerWaalsContact CD-O 3.29Å; R487-A504 WeakPolarHBondContact CD-O 3.23Å; R487-A504 HydrophobicContact CG-CB 4.02Å; A488-A504 HydrophobicContact CB-CB 3.99Å; V501-A504 VanDerWaalsContact O-CB 3.24Å; V501-A504 WeakPolarHBondContact O-CB 3.36Å; V501-A504 PolarHBondContact O-N 3.15Å; Y502-A504 PolarHBondContact O-N 2.91Å
505Y97.4Very high96.5Very high48 Ų4850.5 Ų50.519%0.18824%0.239CC..SBendtrans-103.9-8.3-179.8-70.6-91.5000113.7A406 E407 V484 Y502 R503A406-Y505 HydrophobicContact CB-CD2 4.05Å; A406-Y505 HydrophobicContact CB-CE2 3.99Å; E407-Y505 HydrophobicContact CB-CD1 4.35Å; E407-Y505 HydrophobicContact CB-CE1 3.71Å; E407-Y505 HydrophobicContact CG-CD1 4.43Å; E407-Y505 HydrophobicContact CG-CE1 3.82Å; E407-Y505 WeakPolarHBondContact OE2-CE1 3.42Å; E407-Y505 PolarHBondContact OE2-OH 2.96Å; V484-Y505 HydrophobicContact CG1-CD2 4.18Å; V484-Y505 HydrophobicContact CG1-CE2 3.41Å; V484-Y505 VanDerWaalsContact CG1-CE2 3.41Å; Y502-Y505 PolarHBondContact O-N 2.83Å; Y502-Y505 VanDerWaalsContact O-N 3.07Å; R503-Y505 PolarHBondContact O-N 2.68Å
506I92.9Very high96.3Very high99 Ų9947 Ų4751%0.50822%0.218SC..  trans-70.8132.5179.3-61.7176.1000108.9Y502 R503Y502-I506 HydrophobicContact CD1-CD1 4.04Å; Y502-I506 HydrophobicContact CD1-CG1 4.36Å; Y502-I506 HydrophobicContact CE1-CD1 3.77Å; Y502-I506 HydrophobicContact CE1-CG1 4.01Å; R503-I506 HydrophobicContact CB-CD1 4.39Å; R503-I506 HydrophobicContact CG-CD1 4.06Å
507H79.2Confident96.1Very high242 Ų24247.3 Ų47.3100%1.1222%0.216SC*.  trans-80.20178.5-74.7-70.4000113.4

Retrieved 507 of 507 residues in 89.2 ms (Link to these results)

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