A0A077ZHK5_TRITR Loading...

Succinate-semialdehyde dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZHK5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 400 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
1M36Very low75Confident224 Ų22474.6 Ų74.6100%1.10338%0.381SS*.  0114.40-114.3179.7-148.100106.1I3M1-I3 PolarHBondContact O-N 3.39Å
2L50.9Low76.5Confident36 Ų3673.5 Ų73.519%0.18838%0.38CS..  trans-63.1121.9170.1-81.6172.4000107.7N4 D184 I188 E349L2-N4 PolarHBondContact O-OD1 2.97Å; L2-D184 HydrophobicContact CB-CB 4.11Å; L2-D184 HydrophobicContact CD1-CB 3.55Å; L2-D184 HydrophobicContact CG-CB 4.48Å; L2-I188 HydrophobicContact CD2-CD1 4.29Å; L2-E349 HydrophobicContact CD1-CB 3.45Å; L2-E349 VanDerWaalsContact CD1-CB 3.45Å; L2-E349 HydrophobicContact CD1-CG 4.17Å; L2-E349 HydrophobicContact CG-CB 3.94Å; L2-E349 HydrophobicContact CG-CG 4.13Å
3I56.7Low77.9Confident59 Ų5970.2 Ų70.230%0.30336%0.362SS..  trans-82.1119178.8-78.1167.1000106.1M1 Q8 V12M1-I3 PolarHBondContact O-N 3.39Å; I3-Q8 HydrophobicContact CG2-CB 3.2Å; I3-Q8 HydrophobicContact CG2-CG 4.32Å; I3-V12 HydrophobicContact CD1-CB 4.36Å; I3-V12 HydrophobicContact CD1-CG2 3.17Å
4N63.4Low79.2Confident64 Ų6470.9 Ų70.934%0.34237%0.371SS..  trans-82-25-171.4-73.66.1000111.6L2 D184 A233L2-N4 PolarHBondContact O-OD1 2.97Å; N4-D184 PolarHBondContact ND2-OD1 3.23Å; N4-D184 PolarHBondContact OD1-OD1 3.09Å; N4-A233 HydrophobicContact CB-CB 4.32Å; N4-A233 WeakPolarHBondContact O-CA 3.5Å; N4-A233 WeakPolarHBondContact O-CB 3.5Å
5N82.4Confident80.3Confident38 Ų3869.9 Ų69.920%0.20338%0.377CS..SBendtrans-89.2137.7-174.1-61.5-11.1000113.3Q7 Q8 L9 N230 I232N5-Q7 PolarHBondContact O-N 3.12Å; N5-Q8 HydrophobicContact CB-CB 4.44Å; N5-Q8 HydrophobicContact CB-CG 4.26Å; N5-Q8 PolarHBondContact O-N 3.27Å; N5-L9 PolarHBondContact O-N 3.48Å; N5-N230 WeakPolarHBondContact CB-O 3.33Å; N5-N230 PolarHBondContact ND2-O 2.97Å; N5-N230 VanDerWaalsContact ND2-O 3.09Å; N5-I232 VanDerWaalsContact CA-O 3.28Å; N5-I232 WeakPolarHBondContact CA-O 3.14Å
6I85.2Confident81.2Confident33 Ų3368.3 Ų68.317%0.16937%0.365CS..Hα-helixtrans-62.5-42.4-173.1-65.8168.1000113.7Q8 L9 A10 P226 I232 G235I6-Q8 VanDerWaalsContact C-N 3.28Å; I6-Q8 PolarHBondContact O-N 3.28Å; I6-L9 WeakPolarHBondContact O-CB 3.38Å; I6-L9 PolarHBondContact O-N 3.45Å; I6-A10 PolarHBondContact O-N 3.11Å; I6-P226 HydrophobicContact CB-CB 4.13Å; I6-P226 HydrophobicContact CD1-CB 4.21Å; I6-P226 HydrophobicContact CG2-CB 3.78Å; I6-P226 HydrophobicContact CG2-CG 4.32Å; I6-I232 PolarHBondContact N-O 2.83Å; I6-I232 VanDerWaalsContact N-O 3.14Å; I6-G235 VanDerWaalsContact CD1-CA 3.44Å
7Q88.3Confident82.2Confident78 Ų7864.5 Ų64.536%0.36435%0.345SS..Hα-helixtrans-64.2-38.4179.5-74-65.2-13.600111.3N5 A10 E11 P226 N230N5-Q7 PolarHBondContact O-N 3.12Å; Q7-A10 WeakPolarHBondContact O-CB 3.42Å; Q7-A10 PolarHBondContact O-N 3.36Å; Q7-E11 PolarHBondContact O-N 3.21Å; Q7-E11 VanDerWaalsContact O-N 3.1Å; Q7-P226 PolarHBondContact NE2-O 3.42Å; Q7-N230 HydrophobicContact CG-CB 4.45Å
8Q87.7Confident83.1Confident84 Ų8463.7 Ų63.739%0.39335%0.349SS..Hα-helixtrans-69-35.6174.9-63.8174.4-14.600111.2I3 N5 I6 A10 E11 V12I3-Q8 HydrophobicContact CG2-CB 3.2Å; I3-Q8 HydrophobicContact CG2-CG 4.32Å; N5-Q8 HydrophobicContact CB-CB 4.44Å; N5-Q8 HydrophobicContact CB-CG 4.26Å; N5-Q8 PolarHBondContact O-N 3.27Å; I6-Q8 VanDerWaalsContact C-N 3.28Å; I6-Q8 PolarHBondContact O-N 3.28Å; Q8-A10 VanDerWaalsContact C-N 3.28Å; Q8-A10 PolarHBondContact O-N 2.91Å; Q8-E11 PolarHBondContact O-N 2.65Å; Q8-V12 WeakPolarHBondContact O-CG2 3.27Å; Q8-V12 PolarHBondContact O-N 2.8Å
9L90.3Very high83.8Confident28 Ų2864.9 Ų64.915%0.14736%0.355CS..Hα-helixtrans-59.7-39.7171.7179.164.1000111.6N5 I6 V12 E13 I188N5-L9 PolarHBondContact O-N 3.48Å; I6-L9 WeakPolarHBondContact O-CB 3.38Å; I6-L9 PolarHBondContact O-N 3.45Å; L9-V12 PolarHBondContact O-N 3.19Å; L9-E13 PolarHBondContact O-N 2.81Å; L9-I188 HydrophobicContact CD1-CD1 3.99Å; L9-I188 HydrophobicContact CD1-CG1 4.37Å; L9-I188 HydrophobicContact CD2-CD1 4.19Å; L9-I188 HydrophobicContact CD2-CG1 3.67Å
10A91.6Very high84.6Confident43 Ų4361.8 Ų61.836%0.35534%0.338SS..Hα-helixtrans-65.4-41.9175.900000112.3I6 Q7 Q8 V12 E13 V14I6-A10 PolarHBondContact O-N 3.11Å; Q7-A10 WeakPolarHBondContact O-CB 3.42Å; Q7-A10 PolarHBondContact O-N 3.36Å; Q8-A10 VanDerWaalsContact C-N 3.28Å; Q8-A10 PolarHBondContact O-N 2.91Å; A10-V12 VanDerWaalsContact C-N 3.32Å; A10-V12 PolarHBondContact O-N 3.07Å; A10-E13 PolarHBondContact O-N 2.93Å; A10-V14 WeakPolarHBondContact O-CG2 3.34Å; A10-V14 PolarHBondContact O-N 3.39Å; A10-V14 VanDerWaalsContact O-N 3.15Å
11E93Very high85.2Confident134 Ų13461.6 Ų61.663%0.62634%0.336SS*.Hα-helixtrans-60.7-42.6173.3-70173.9-177.300111.6Q7 Q8 V14 A15Q7-E11 PolarHBondContact O-N 3.21Å; Q7-E11 VanDerWaalsContact O-N 3.1Å; Q8-E11 PolarHBondContact O-N 2.65Å; E11-V14 PolarHBondContact O-N 3.19Å; E11-A15 PolarHBondContact O-N 3.28Å
12V92.1Very high88.1Confident61 Ų6155.9 Ų55.937%0.3731%0.31SS..Hα-helixtrans-66.1-40.3176.3169.30000112.2I3 Q8 L9 A10 V14 A15 F16I3-V12 HydrophobicContact CD1-CB 4.36Å; I3-V12 HydrophobicContact CD1-CG2 3.17Å; Q8-V12 WeakPolarHBondContact O-CG2 3.27Å; Q8-V12 PolarHBondContact O-N 2.8Å; L9-V12 PolarHBondContact O-N 3.19Å; A10-V12 VanDerWaalsContact C-N 3.32Å; A10-V12 PolarHBondContact O-N 3.07Å; V12-V14 VanDerWaalsContact C-N 3.27Å; V12-V14 PolarHBondContact O-N 3.33Å; V12-A15 PolarHBondContact O-N 2.88Å; V12-F16 WeakPolarHBondContact O-CB 3.4Å; V12-F16 PolarHBondContact O-N 3.05Å
13E94.7Very high90.4Very high30 Ų3056 Ų5614%0.1431%0.308CS..Hα-helixtrans-57.1-44.6174.7-171.9-172.6179.300110.7L9 A10 T17 F63 P64 F65 F66L9-E13 PolarHBondContact O-N 2.81Å; A10-E13 PolarHBondContact O-N 2.93Å; E13-T17 WeakPolarHBondContact O-CB 3.36Å; E13-T17 PolarHBondContact O-N 3.06Å; E13-T17 PolarHBondContact O-OG1 3.12Å; E13-F63 HydrophobicContact CG-CD1 4.44Å; E13-F63 WeakPolarHBondContact OE1-CA 3.43Å; E13-P64 WeakPolarHBondContact OE1-CD 3.17Å; E13-F65 HydrophobicContact CG-CB 4.45Å; E13-F65 WeakPolarHBondContact OE1-CA 3.36Å; E13-F65 PolarHBondContact OE1-N 2.94Å; E13-F66 HydrophobicContact CG-CB 3.61Å; E13-F66 PolarHBondContact OE1-N 3.26Å
14V95.9Very high92.4Very high81 Ų8153.2 Ų53.249%0.49129%0.294SS..Hα-helixtrans-66-48.6179.2175.10000111.5A10 E11 V12 T17 A18 F65A10-V14 WeakPolarHBondContact O-CG2 3.34Å; A10-V14 PolarHBondContact O-N 3.39Å; A10-V14 VanDerWaalsContact O-N 3.15Å; E11-V14 PolarHBondContact O-N 3.19Å; V12-V14 VanDerWaalsContact C-N 3.27Å; V12-V14 PolarHBondContact O-N 3.33Å; V14-T17 WeakPolarHBondContact O-CB 3.45Å; V14-T17 PolarHBondContact O-N 3.22Å; V14-A18 PolarHBondContact O-N 3.48Å; V14-F65 HydrophobicContact CB-CE1 4.49Å; V14-F65 HydrophobicContact CG1-CE1 4.25Å; V14-F65 HydrophobicContact CG2-CD1 4.12Å; V14-F65 HydrophobicContact CG2-CE1 4.25Å
15A95.9Very high94Very high55 Ų5552.8 Ų52.846%0.45530%0.299SS..Hα-helixtrans-63-46.2179.400000111.7E11 V12 T17 A18 D19E11-A15 PolarHBondContact O-N 3.28Å; V12-A15 PolarHBondContact O-N 2.88Å; A15-T17 PolarHBondContact O-N 3.43Å; A15-A18 WeakPolarHBondContact O-CB 3.35Å; A15-A18 PolarHBondContact O-N 2.87Å; A15-D19 PolarHBondContact O-N 3.27Å; A15-D19 VanDerWaalsContact O-N 3.08Å
16F95.9Very high94.7Very high45 Ų4555.5 Ų55.520%0.19731%0.31CS..Hα-helixtrans-63.7-29.8178.4-172-109.4000112.6V12 A18 D19 Y20 F66 M354V12-F16 WeakPolarHBondContact O-CB 3.4Å; V12-F16 PolarHBondContact O-N 3.05Å; F16-A18 VanDerWaalsContact C-N 3.33Å; F16-D19 PolarHBondContact O-N 3.49Å; F16-Y20 VanDerWaalsContact O-CB 3.26Å; F16-Y20 WeakPolarHBondContact O-CB 3.5Å; F16-Y20 PolarHBondContact O-N 2.93Å; F16-F66 AromaticContact CD1-CD2 3.65Å; F16-F66 HydrophobicContact CD1-CD2 3.65Å; F16-F66 HydrophobicContact CD1-CE1 4.47Å; F16-F66 AromaticContact CD1-CE2 3.5Å; F16-F66 HydrophobicContact CD1-CE2 3.5Å; F16-F66 HydrophobicContact CD1-CG 4.23Å; F16-F66 AromaticContact CD1-CZ 3.96Å; F16-F66 HydrophobicContact CD1-CZ 3.96Å; F16-F66 HydrophobicContact CE1-CD2 4.02Å; F16-F66 HydrophobicContact CE1-CE1 4.1Å; F16-F66 AromaticContact CE1-CE2 3.4Å; F16-F66 HydrophobicContact CE1-CE2 3.4Å; F16-F66 AromaticContact CE1-CZ 3.45Å; F16-F66 HydrophobicContact CE1-CZ 3.45Å; F16-F66 VanDerWaalsContact CE1-CZ 3.45Å; F16-M354 HydrophobicContact CD2-CE 3.87Å; F16-M354 HydrophobicContact CE2-CE 3.28Å; F16-M354 HydrophobicContact CZ-CB 4.11Å; F16-M354 HydrophobicContact CZ-CE 3.94Å
17T97.8Very high95.3Very high3 Ų355.5 Ų55.52%0.01831%0.309CS..Hα-helixtrans-61-42.5172-60.40000111.3E13 V14 A15 I21 F65 F66 A69 F97E13-T17 WeakPolarHBondContact O-CB 3.36Å; E13-T17 PolarHBondContact O-N 3.06Å; E13-T17 PolarHBondContact O-OG1 3.12Å; V14-T17 WeakPolarHBondContact O-CB 3.45Å; V14-T17 PolarHBondContact O-N 3.22Å; A15-T17 PolarHBondContact O-N 3.43Å; T17-I21 HydrophobicContact CG2-CD1 4.47Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 2.95Å; T17-F65 HydrophobicContact CG2-CD1 3.91Å; T17-F65 HydrophobicContact CG2-CE1 3.81Å; T17-F65 WeakPolarHBondContact OG1-CD1 3.38Å; T17-F66 VanDerWaalsContact OG1-CA 3.27Å; T17-F66 WeakPolarHBondContact OG1-CA 3.42Å; T17-A69 HydrophobicContact CG2-CB 3.46Å; T17-A69 VanDerWaalsContact CG2-CB 3.46Å; T17-F97 HydrophobicContact CG2-CE2 4.11Å
18A97.5Very high95.6Very high50 Ų5054.6 Ų54.641%0.41331%0.314SS..Hα-helixtrans-66.8-48.9176.300000111.1V14 A15 F16 Y20 I21 D22V14-A18 PolarHBondContact O-N 3.48Å; A15-A18 WeakPolarHBondContact O-CB 3.35Å; A15-A18 PolarHBondContact O-N 2.87Å; F16-A18 VanDerWaalsContact C-N 3.33Å; A18-Y20 PolarHBondContact O-N 2.86Å; A18-I21 PolarHBondContact O-N 3.2Å; A18-D22 PolarHBondContact O-N 3.13Å
19D97.8Very high96Very high88 Ų8861.7 Ų61.747%0.47134%0.338SS..Hα-helixtrans-56.2-40.5177.6-67.9-18.2000111.8A15 F16 I21 D22 Y23 M354A15-D19 PolarHBondContact O-N 3.27Å; A15-D19 VanDerWaalsContact O-N 3.08Å; F16-D19 PolarHBondContact O-N 3.49Å; D19-I21 PolarHBondContact O-N 3.28Å; D19-D22 PolarHBondContact O-N 2.87Å; D19-Y23 WeakPolarHBondContact O-CB 3.35Å; D19-Y23 PolarHBondContact O-N 3.02Å; D19-M354 HydrophobicContact CB-CE 4.02Å
20Y98.2Very high96.3Very high1 Ų166.3 Ų66.30%0.00435%0.353CS..Hα-helixtrans-65.7-37.8178.2-172.7-85000112.5F16 A18 M24 F66 A69 R70 A73 M354 D370F16-Y20 VanDerWaalsContact O-CB 3.26Å; F16-Y20 WeakPolarHBondContact O-CB 3.5Å; F16-Y20 PolarHBondContact O-N 2.93Å; A18-Y20 PolarHBondContact O-N 2.86Å; Y20-M24 HydrophobicContact CD1-CG 4Å; Y20-M24 HydrophobicContact CE1-CE 4.13Å; Y20-M24 HydrophobicContact CE1-CG 3.54Å; Y20-M24 HydrophobicContact CE2-CE 4.08Å; Y20-M24 WeakPolarHBondContact O-CB 3.34Å; Y20-M24 WeakPolarHBondContact O-CG 3.41Å; Y20-M24 PolarHBondContact O-N 2.77Å; Y20-M24 WeakPolarHBondContact OH-CE 3.28Å; Y20-F66 HydrophobicContact CD1-CE2 4.45Å; Y20-F66 AromaticContact CD2-CE2 3.72Å; Y20-F66 HydrophobicContact CD2-CE2 3.72Å; Y20-F66 HydrophobicContact CD2-CZ 4.02Å; Y20-F66 HydrophobicContact CE2-CE2 4.36Å; Y20-F66 HydrophobicContact CE2-CZ 4.29Å; Y20-F66 AromaticContact CG-CE2 3.77Å; Y20-F66 HydrophobicContact CG-CE2 3.77Å; Y20-F66 HydrophobicContact CG-CZ 4.48Å; Y20-A69 HydrophobicContact CD1-CB 4.46Å; Y20-R70 VanDerWaalsContact CE1-CA 3.5Å; Y20-R70 HydrophobicContact CE1-CB 4.4Å; Y20-R70 HydrophobicContact CE2-CG 4.48Å; Y20-R70 PolarHBondContact OH-O 3.13Å; Y20-A73 HydrophobicContact CD1-CB 4.33Å; Y20-A73 HydrophobicContact CE1-CB 4.21Å; Y20-M354 HydrophobicContact CD2-CB 3.91Å; Y20-M354 HydrophobicContact CE2-CB 4.26Å; Y20-D370 VanDerWaalsContact CE2-OD1 3.26Å; Y20-D370 WeakPolarHBondContact CE2-OD1 3.37Å; Y20-D370 PolarHBondContact OH-OD1 3.42Å
21I97.9Very high96.4Very high59 Ų5967.3 Ų67.330%0.30335%0.348SS..Hα-helixtrans-65.5-44.3176.1-69.7167.3000110T17 A18 D19 M24 A25 A69 M72 A73T17-I21 HydrophobicContact CG2-CD1 4.47Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 2.95Å; A18-I21 PolarHBondContact O-N 3.2Å; D19-I21 PolarHBondContact O-N 3.28Å; I21-M24 PolarHBondContact O-N 2.84Å; I21-A25 WeakPolarHBondContact O-CB 3.31Å; I21-A25 PolarHBondContact O-N 3.11Å; I21-A69 HydrophobicContact CD1-CB 4.1Å; I21-A69 HydrophobicContact CG1-CB 3.94Å; I21-M72 HydrophobicContact CD1-CE 4.41Å; I21-A73 HydrophobicContact CG1-CB 4.36Å
22D97.9Very high96.6Very high104 Ų10468 Ų6856%0.55635%0.351SS*.Hα-helixtrans-61.9-45.9176.5-74.9-20.5000111.3A18 D19 M24 A25 E26A18-D22 PolarHBondContact O-N 3.13Å; D19-D22 PolarHBondContact O-N 2.87Å; D22-M24 VanDerWaalsContact C-N 3.3Å; D22-M24 PolarHBondContact O-N 3.19Å; D22-A25 WeakPolarHBondContact O-CB 3.44Å; D22-A25 PolarHBondContact O-N 2.88Å; D22-E26 PolarHBondContact O-N 3.06Å; D22-E26 VanDerWaalsContact O-N 3.1Å
23Y98.1Very high96.8Very high37 Ų3766.9 Ų66.915%0.14535%0.352CS..Hα-helixtrans-60.1-37175.1174.8-100.1000113D19 E26 W27 M354 Q355D19-Y23 WeakPolarHBondContact O-CB 3.35Å; D19-Y23 PolarHBondContact O-N 3.02Å; Y23-E26 VanDerWaalsContact O-CB 3.29Å; Y23-E26 WeakPolarHBondContact O-CB 3.48Å; Y23-W27 AromaticContact CE1-NE1 3.65Å; Y23-W27 AromaticContact CZ-NE1 3.42Å; Y23-W27 PolarHBondContact OH-NE1 3.33Å; Y23-M354 WeakPolarHBondContact CB-SD 3.38Å; Y23-M354 HydrophobicContact CD1-CB 4.39Å; Y23-M354 HydrophobicContact CD1-CG 4.04Å; Y23-M354 HydrophobicContact CD1-SD 4.02Å; Y23-M354 HydrophobicContact CD2-CG 4.36Å; Y23-M354 HydrophobicContact CD2-SD 4.06Å; Y23-M354 HydrophobicContact CE1-CG 4.41Å; Y23-M354 VanDerWaalsContact CE1-O 3.25Å; Y23-M354 WeakPolarHBondContact CE1-O 3.1Å; Y23-M354 HydrophobicContact CG-CG 4.02Å; Y23-M354 HydrophobicContact CG-SD 3.55Å; Y23-M354 VanDerWaalsContact CG-SD 3.55Å; Y23-Q355 HydrophobicContact CE2-CB 4Å; Y23-Q355 VanDerWaalsContact OH-CA 3.32Å; Y23-Q355 WeakPolarHBondContact OH-CA 3.35Å; Y23-Q355 WeakPolarHBondContact OH-CB 3.24Å
24M98.1Very high96.9Very high1 Ų170.9 Ų70.91%0.00537%0.371CS..Hα-helixtrans-73.9-38.7174.9-76.5-63.8157.600111.9Y20 I21 D22 E26 W27 A73 P74 L77Y20-M24 HydrophobicContact CD1-CG 4Å; Y20-M24 HydrophobicContact CE1-CE 4.13Å; Y20-M24 HydrophobicContact CE1-CG 3.54Å; Y20-M24 HydrophobicContact CE2-CE 4.08Å; Y20-M24 WeakPolarHBondContact O-CB 3.34Å; Y20-M24 WeakPolarHBondContact O-CG 3.41Å; Y20-M24 PolarHBondContact O-N 2.77Å; Y20-M24 WeakPolarHBondContact OH-CE 3.28Å; I21-M24 PolarHBondContact O-N 2.84Å; D22-M24 VanDerWaalsContact C-N 3.3Å; D22-M24 PolarHBondContact O-N 3.19Å; M24-E26 PolarHBondContact O-N 3.19Å; M24-W27 WeakPolarHBondContact O-CB 3.41Å; M24-W27 PolarHBondContact O-N 3.4Å; M24-A73 HydrophobicContact CB-CB 3.75Å; M24-A73 HydrophobicContact CG-CB 3.94Å; M24-P74 HydrophobicContact SD-CB 4.28Å; M24-L77 WeakPolarHBondContact O-CD1 3.18Å; M24-L77 WeakPolarHBondContact O-CD2 3.48Å
25A97.7Very high97Very high55 Ų5573 Ų7346%0.45538%0.378SS..Hα-helixtrans-56.5-35.717600000112.1I21 D22 W27 A28I21-A25 WeakPolarHBondContact O-CB 3.31Å; I21-A25 PolarHBondContact O-N 3.11Å; D22-A25 WeakPolarHBondContact O-CB 3.44Å; D22-A25 PolarHBondContact O-N 2.88Å; A25-W27 PolarHBondContact O-N 3.34Å; A25-A28 VanDerWaalsContact O-CB 3.25Å; A25-A28 WeakPolarHBondContact O-CB 3.39Å; A25-A28 PolarHBondContact O-N 2.92Å; A25-A28 VanDerWaalsContact O-N 3.11Å
26E97.5Very high97.1Very high95 Ų9573.3 Ų73.344%0.44437%0.372SS..G310 helixtrans-55.6-29.1173.4-93.1-163.1-12900114.1D22 Y23 M24 A28 R30D22-E26 PolarHBondContact O-N 3.06Å; D22-E26 VanDerWaalsContact O-N 3.1Å; Y23-E26 VanDerWaalsContact O-CB 3.29Å; Y23-E26 WeakPolarHBondContact O-CB 3.48Å; M24-E26 PolarHBondContact O-N 3.19Å; E26-A28 VanDerWaalsContact C-N 3.26Å; E26-A28 PolarHBondContact O-N 3.41Å; E26-R30 VanDerWaalsContact C-NH1 3.28Å; E26-R30 WeakPolarHBondContact O-CD 3.31Å; E26-R30 PolarHBondContact O-NH1 2.85Å; E26-R30 IonicContact OE2-CZ 2.89Å; E26-R30 IonicContact OE2-NH1 2.9Å; E26-R30 PolarHBondContact OE2-NH1 3.36Å; E26-R30 IonicContact OE2-NH2 3.7Å; E26-R30 PolarHBondContact OE2-NH2 2.88Å
27W97.5Very high97.2Very high34 Ų3479.2 Ų79.213%0.12940%0.4CS..G310 helixtrans-75.5-11179.2-78.696000114.5Y23 M24 A25 R29 R30 Y31 L77 K372 L375Y23-W27 AromaticContact CE1-NE1 3.65Å; Y23-W27 AromaticContact CZ-NE1 3.42Å; Y23-W27 PolarHBondContact OH-NE1 3.33Å; M24-W27 WeakPolarHBondContact O-CB 3.41Å; M24-W27 PolarHBondContact O-N 3.4Å; A25-W27 PolarHBondContact O-N 3.34Å; W27-R29 PolarHBondContact O-N 2.89Å; W27-R30 HydrophobicContact CD2-CB 4.3Å; W27-R30 HydrophobicContact CE3-CB 3.56Å; W27-R30 HydrophobicContact CZ3-CB 3.84Å; W27-R30 PolarHBondContact O-N 3.19Å; W27-Y31 VanDerWaalsContact O-CD1 3.29Å; W27-Y31 WeakPolarHBondContact O-CD1 3.46Å; W27-Y31 PolarHBondContact O-N 2.99Å; W27-L77 HydrophobicContact CB-CD2 3.56Å; W27-K372 HydrophobicContact CH2-CB 3.4Å; W27-K372 HydrophobicContact CH2-CD 3.91Å; W27-K372 HydrophobicContact CH2-CG 3.64Å; W27-K372 HydrophobicContact CZ2-CB 3.68Å; W27-K372 HydrophobicContact CZ2-CG 4.38Å; W27-K372 HydrophobicContact CZ3-CB 4.02Å; W27-K372 HydrophobicContact CZ3-CD 4.14Å; W27-K372 HydrophobicContact CZ3-CG 3.79Å; W27-L375 HydrophobicContact CB-CD1 3.2Å; W27-L375 HydrophobicContact CD2-CD1 4.06Å; W27-L375 HydrophobicContact CE3-CD1 4.45Å; W27-L375 HydrophobicContact CG-CD1 3.52Å
28A95.2Very high97.1Very high59 Ų5980.5 Ų80.549%0.48841%0.409SS..G310 helixtrans-54.7-23.218000000113.7A25 E26 L77A25-A28 VanDerWaalsContact O-CB 3.25Å; A25-A28 WeakPolarHBondContact O-CB 3.39Å; A25-A28 PolarHBondContact O-N 2.92Å; A25-A28 VanDerWaalsContact O-N 3.11Å; E26-A28 VanDerWaalsContact C-N 3.26Å; E26-A28 PolarHBondContact O-N 3.41Å; A28-L77 HydrophobicContact CB-CD1 3.73Å
29R95.5Very high97.1Very high233 Ų23386.3 Ų86.388%0.87943%0.433SS*.G310 helixtrans-118.511.1-179.5-61.7-179.7177.9-102.80.7113.7W27W27-R29 PolarHBondContact O-N 2.89Å
30R96Very high97Very high125 Ų12589.9 Ų89.947%0.47244%0.44SS..THydrogen-bonded Turntrans-123-23.4-170.3-67.2179.8166.4107.6-23.5114.9E26 W27E26-R30 VanDerWaalsContact C-NH1 3.28Å; E26-R30 WeakPolarHBondContact O-CD 3.31Å; E26-R30 PolarHBondContact O-NH1 2.85Å; E26-R30 IonicContact OE2-CZ 2.89Å; E26-R30 IonicContact OE2-NH1 2.9Å; E26-R30 PolarHBondContact OE2-NH1 3.36Å; E26-R30 IonicContact OE2-NH2 3.7Å; E26-R30 PolarHBondContact OE2-NH2 2.88Å; W27-R30 HydrophobicContact CD2-CB 4.3Å; W27-R30 HydrophobicContact CE3-CB 3.56Å; W27-R30 HydrophobicContact CZ3-CB 3.84Å; W27-R30 PolarHBondContact O-N 3.19Å
31Y94.9Very high96.7Very high64 Ų6495.5 Ų95.525%0.25148%0.476SS..  trans-82.2138.3170.376.5-96.5000109.3W27 K49 L375 L379W27-Y31 VanDerWaalsContact O-CD1 3.29Å; W27-Y31 WeakPolarHBondContact O-CD1 3.46Å; W27-Y31 PolarHBondContact O-N 2.99Å; Y31-K49 HydrophobicContact CD2-CB 4.27Å; Y31-K49 HydrophobicContact CE2-CB 4.36Å; Y31-L375 HydrophobicContact CD1-CD1 4.48Å; Y31-L375 HydrophobicContact CD1-CD2 4Å; Y31-L375 HydrophobicContact CG-CD2 4.05Å; Y31-L379 HydrophobicContact CD2-CD1 3.91Å; Y31-L379 HydrophobicContact CE2-CD1 4.3Å; Y31-L379 HydrophobicContact CE2-CD2 4.27Å; Y31-L379 HydrophobicContact CG-CD1 4.24Å
32E95.9Very high96.5Very high148 Ų14894.8 Ų94.869%0.69248%0.483SS*.  trans-130.7152.4-166.6-64.3175.4157.300111.2K49E32-K49 WeakPolarHBondContact O-CG 3.3Å
33G96.6Very high96.4Very high38 Ų3891 Ų9139%0.39246%0.462SS..  trans-89.1-171.7157.300000110.9L47G33-L47 CarbonylContact C-O 3.56Å; G33-L47 WeakPolarHBondContact CA-O 3.49Å
34E97.7Very high96.4Very high113 Ų11392 Ų9253%0.52847%0.471SS..EExtended strand (participates in β ladder)trans-138.7144.5-178.4-57.6173.4-117.900111I36 L47E34-I36 HydrophobicContact CB-CD1 4.45Å; E34-I36 HydrophobicContact CB-CG1 3.94Å; E34-L47 HydrophobicContact CB-CB 4.04Å; E34-L47 PolarHBondContact N-O 3.47Å; E34-L47 PolarHBondContact O-N 3.1Å
35I98Very high96.4Very high125 Ų12592.9 Ų92.964%0.64148%0.475SS*.EExtended strand (participates in β ladder)trans-101.9107.9160.3-58-179000106.4I45 L46I35-I45 CarbonylContact C-O 3.55Å; I35-I45 WeakPolarHBondContact CA-O 3.41Å; I35-L46 HydrophobicContact CB-CD2 4.45Å; I35-L46 HydrophobicContact CD1-CD2 4.33Å; I35-L46 HydrophobicContact CG1-CD2 3.86Å; I35-L46 HydrophobicContact CG2-CD2 4.19Å
36I98Very high96.4Very high63 Ų6392.1 Ų92.132%0.32346%0.463SS..EExtended strand (participates in β ladder)trans-94.6138.2-174.6-57.3165.5000108.5E34 I45 L47E34-I36 HydrophobicContact CB-CD1 4.45Å; E34-I36 HydrophobicContact CB-CG1 3.94Å; I36-I45 HydrophobicContact CB-CB 3.91Å; I36-I45 HydrophobicContact CB-CG2 3.96Å; I36-I45 HydrophobicContact CD1-CG2 4.16Å; I36-I45 HydrophobicContact CG2-CD1 4.49Å; I36-I45 PolarHBondContact N-O 3.06Å; I36-I45 WeakPolarHBondContact O-CB 3.43Å; I36-I45 PolarHBondContact O-N 2.89Å; I36-L47 HydrophobicContact CD1-CB 4.07Å; I36-L47 HydrophobicContact CD1-CD1 4.06Å
37Q96.8Very high96.4Very high169 Ų16988.6 Ų88.679%0.7945%0.447SS*.  trans-67.7138.9176.4-64.4-60.4-54.500110.6
38S96Very high96.5Very high29 Ų2990.9 Ų90.920%0.20346%0.458CS..  trans-105.8143.5172.6-174.20000111R40 E43S38-R40 PolarHBondContact O-N 3.4Å; S38-R40 PolarHBondContact OG-N 3.03Å; S38-E43 WeakPolarHBondContact CB-O 3.48Å; S38-E43 WeakPolarHBondContact CB-OE1 3.41Å; S38-E43 PolarHBondContact OG-OE1 3.5Å
39D97.2Very high96.6Very high172 Ų17290.6 Ų90.692%0.9245%0.446SS*.SBendtrans-72.9-10.6167.5-65.2-43.5000112.4
40R95.3Very high96.7Very high164 Ų16485.4 Ų85.462%0.61943%0.426SS*.SBendtrans-92.6121.2179.3-67.7175.7173177.7-0.8110.5S38 G42 E43S38-R40 PolarHBondContact O-N 3.4Å; S38-R40 PolarHBondContact OG-N 3.03Å; R40-G42 PolarHBondContact O-N 3.42Å; R40-E43 HydrophobicContact CB-CB 3.89Å; R40-E43 WeakPolarHBondContact CD-OE2 3.26Å; R40-E43 IonicContact NH1-OE2 3.46Å; R40-E43 PolarHBondContact NH1-OE2 3Å; R40-E43 WeakPolarHBondContact O-CB 3.49Å; R40-E43 PolarHBondContact O-N 3.03Å; R40-E43 VanDerWaalsContact O-N 3.12Å
41P93.3Very high96.8Very high118 Ų11881 Ų8177%0.76642%0.416SS*.THydrogen-bonded Turntrans-54.5132.4173.4-25.834.5000111.8E43 H387P41-E43 VanDerWaalsContact C-N 3.31Å; P41-E43 PolarHBondContact O-N 2.66Å; P41-H387 PolarHBondContact O-CE1 3.21Å; P41-H387 VanDerWaalsContact O-CE1 3.26Å
42G93Very high97Very high44 Ų4479.3 Ų79.345%0.45441%0.412SS..THydrogen-bonded Turntrans78.26.3179.800000115.3R40 E388R40-G42 PolarHBondContact O-N 3.42Å; G42-E388 PolarHBondContact O-N 3.33Å
43E96.7Very high97.1Very high24 Ų2473.9 Ų73.911%0.11240%0.395CS..EExtended strand (participates in β ladder)trans-102.3133.3175.2-168.4-17880.700111.8S38 R40 P41 L386S38-E43 WeakPolarHBondContact CB-O 3.48Å; S38-E43 WeakPolarHBondContact CB-OE1 3.41Å; S38-E43 PolarHBondContact OG-OE1 3.5Å; R40-E43 HydrophobicContact CB-CB 3.89Å; R40-E43 WeakPolarHBondContact CD-OE2 3.26Å; R40-E43 IonicContact NH1-OE2 3.46Å; R40-E43 PolarHBondContact NH1-OE2 3Å; R40-E43 WeakPolarHBondContact O-CB 3.49Å; R40-E43 PolarHBondContact O-N 3.03Å; R40-E43 VanDerWaalsContact O-N 3.12Å; P41-E43 VanDerWaalsContact C-N 3.31Å; P41-E43 PolarHBondContact O-N 2.66Å; E43-L386 CarbonylContact C-O 3.49Å; E43-L386 WeakPolarHBondContact CA-O 3.43Å
44N96.8Very high97.2Very high60 Ų6074.5 Ų74.532%0.32139%0.391SS..EExtended strand (participates in β ladder)trans-110.1135.2167.8-68.1-79.2000109.1L46 L386N44-L46 HydrophobicContact CB-CD2 4.49Å; N44-L386 HydrophobicContact CB-CB 4.48Å; N44-L386 PolarHBondContact N-O 3.07Å; N44-L386 PolarHBondContact O-N 2.95Å
45I98.3Very high97.3Very high18 Ų1869.1 Ų69.19%0.09237%0.366CS..EExtended strand (participates in β ladder)trans-107.7119.4174.7-56.7172000107.9I35 I36 V383 V384 Y385I35-I45 CarbonylContact C-O 3.55Å; I35-I45 WeakPolarHBondContact CA-O 3.41Å; I36-I45 HydrophobicContact CB-CB 3.91Å; I36-I45 HydrophobicContact CB-CG2 3.96Å; I36-I45 HydrophobicContact CD1-CG2 4.16Å; I36-I45 HydrophobicContact CG2-CD1 4.49Å; I36-I45 PolarHBondContact N-O 3.06Å; I36-I45 WeakPolarHBondContact O-CB 3.43Å; I36-I45 PolarHBondContact O-N 2.89Å; I45-V383 HydrophobicContact CG2-CG1 3.63Å; I45-V384 CarbonylContact C-O 3.54Å; I45-V384 WeakPolarHBondContact CA-O 3.3Å; I45-Y385 HydrophobicContact CD1-CD1 3.96Å; I45-Y385 HydrophobicContact CD1-CE1 3.73Å; I45-Y385 HydrophobicContact CG1-CD1 3.66Å; I45-Y385 HydrophobicContact CG1-CE1 3.88Å; I45-Y385 HydrophobicContact CG2-CD1 4.3Å; I45-Y385 HydrophobicContact CG2-CE1 4.06Å
46L98.2Very high97.3Very high39 Ų3963.1 Ų63.120%0.20434%0.335CS..EExtended strand (participates in β ladder)trans-113.8117-177.1-48.7175.4000109.7I35 N44 F48 V383 V384I35-L46 HydrophobicContact CB-CD2 4.45Å; I35-L46 HydrophobicContact CD1-CD2 4.33Å; I35-L46 HydrophobicContact CG1-CD2 3.86Å; I35-L46 HydrophobicContact CG2-CD2 4.19Å; N44-L46 HydrophobicContact CB-CD2 4.49Å; L46-F48 HydrophobicContact CB-CD2 4.33Å; L46-F48 HydrophobicContact CB-CE2 3.51Å; L46-F48 HydrophobicContact CB-CZ 3.8Å; L46-F48 HydrophobicContact CD1-CE2 4.2Å; L46-F48 HydrophobicContact CD1-CZ 3.96Å; L46-V383 CarbonylContact O-C 3.45Å; L46-V383 WeakPolarHBondContact O-CA 3.49Å; L46-V384 HydrophobicContact CB-CB 4.29Å; L46-V384 PolarHBondContact N-O 3.26Å; L46-V384 PolarHBondContact O-N 2.91Å
47L98.5Very high97.3Very high21 Ų2160.1 Ų60.111%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-99.7117174.9-171.7153000109.3G33 E34 I36 K49 T381 V383G33-L47 CarbonylContact C-O 3.56Å; G33-L47 WeakPolarHBondContact CA-O 3.49Å; E34-L47 HydrophobicContact CB-CB 4.04Å; E34-L47 PolarHBondContact N-O 3.47Å; E34-L47 PolarHBondContact O-N 3.1Å; I36-L47 HydrophobicContact CD1-CB 4.07Å; I36-L47 HydrophobicContact CD1-CD1 4.06Å; L47-K49 HydrophobicContact CD2-CD 4.28Å; L47-T381 HydrophobicContact CD1-CG2 3.95Å; L47-T381 HydrophobicContact CD2-CG2 3.78Å; L47-T381 HydrophobicContact CG-CG2 3.63Å; L47-V383 HydrophobicContact CD1-CG2 4.17Å; L47-V383 HydrophobicContact CG-CG2 4.19Å
48F98.1Very high97.4Very high82 Ų8252.6 Ų52.636%0.3629%0.285SS..EExtended strand (participates in β ladder)trans-106.7144.9176.8-59.9-83.8000111L46 R50 T381 Q382 V384L46-F48 HydrophobicContact CB-CD2 4.33Å; L46-F48 HydrophobicContact CB-CE2 3.51Å; L46-F48 HydrophobicContact CB-CZ 3.8Å; L46-F48 HydrophobicContact CD1-CE2 4.2Å; L46-F48 HydrophobicContact CD1-CZ 3.96Å; F48-R50 HydrophobicContact CB-CG 4.42Å; F48-T381 WeakPolarHBondContact O-CA 3.25Å; F48-Q382 HydrophobicContact CB-CB 4.41Å; F48-Q382 PolarHBondContact N-O 3.19Å; F48-Q382 PolarHBondContact O-N 3.22Å; F48-V384 HydrophobicContact CD2-CG2 4.02Å; F48-V384 HydrophobicContact CE2-CB 4.22Å; F48-V384 HydrophobicContact CE2-CG2 3.77Å
49K98Very high97.5Very high54 Ų5451.5 Ų51.524%0.23528%0.277CS..EExtended strand (participates in β ladder)trans-102.5127.7164.2-59.4-61.8179.9-177.30108.9Y31 E32 L47 L379 Q380 T381Y31-K49 HydrophobicContact CD2-CB 4.27Å; Y31-K49 HydrophobicContact CE2-CB 4.36Å; E32-K49 WeakPolarHBondContact O-CG 3.3Å; L47-K49 HydrophobicContact CD2-CD 4.28Å; K49-L379 HydrophobicContact CB-CD1 4.04Å; K49-L379 HydrophobicContact CB-CD2 4.19Å; K49-L379 HydrophobicContact CB-CG 4.49Å; K49-L379 HydrophobicContact CG-CD1 4.44Å; K49-Q380 WeakPolarHBondContact CA-O 3.22Å; K49-T381 PolarHBondContact NZ-OG1 3.02Å
50R97.8Very high97.6Very high124 Ų12444.1 Ų44.147%0.46824%0.238SC..EExtended strand (participates in β ladder)trans-128.4152.3-175.6-62.7-172.1178-107.30.5111.1F48 L379 Q380F48-R50 HydrophobicContact CB-CG 4.42Å; R50-L379 CarbonylContact O-C 3.51Å; R50-L379 WeakPolarHBondContact O-CA 3.26Å; R50-Q380 HydrophobicContact CB-CG 4.1Å; R50-Q380 PolarHBondContact N-O 3.41Å; R50-Q380 WeakPolarHBondContact O-CG 3.28Å; R50-Q380 PolarHBondContact O-N 3.4Å
51A98.3Very high97.6Very high32 Ų3238.3 Ų38.326%0.26422%0.216SC..EExtended strand (participates in β ladder)trans-55.3151.2167.300000111.2T78 G79 Q380A51-T78 VanDerWaalsContact CB-O 3.26Å; A51-T78 WeakPolarHBondContact CB-O 3.37Å; A51-G79 WeakPolarHBondContact CB-O 3.45Å; A51-Q380 PolarHBondContact O-NE2 3.2Å
52L98.5Very high97.8Very high29 Ų2933.4 Ų33.415%0.15218%0.184CC..  trans-80.4-34.5172.7-58176.1000111.9T55 N80 A132 M133 K156 Q380L52-T55 HydrophobicContact CB-CG2 4.38Å; L52-T55 HydrophobicContact CD1-CG2 4.49Å; L52-N80 WeakPolarHBondContact CA-OD1 3.32Å; L52-N80 WeakPolarHBondContact CB-OD1 3.32Å; L52-N80 PolarHBondContact N-OD1 2.95Å; L52-A132 HydrophobicContact CB-CB 3.88Å; L52-A132 WeakPolarHBondContact O-CB 3.35Å; L52-M133 HydrophobicContact CD1-CB 3.8Å; L52-M133 HydrophobicContact CD1-CG 4.21Å; L52-M133 HydrophobicContact CD1-SD 3.66Å; L52-K156 HydrophobicContact CD1-CD 4.24Å; L52-Q380 HydrophobicContact CD2-CB 3.63Å; L52-Q380 HydrophobicContact CD2-CG 3.9Å
53G98.5Very high97.9Very high33 Ų3332.4 Ų32.434%0.3417%0.167SC..SBendtrans120.2-118.2-176.200000111.6N80 T81G53-N80 PolarHBondContact N-OD1 3.31Å; G53-N80 WeakPolarHBondContact O-CA 3.47Å; G53-N80 WeakPolarHBondContact O-CB 3.35Å; G53-N80 PolarHBondContact O-OD1 2.96Å; G53-T81 PolarHBondContact O-N 3.32Å
54V98.8Very high97.9Very high51 Ų5132 Ų3231%0.30917%0.167SC..EExtended strand (participates in β ladder)trans-84.8118.7176.8-177.60000109.4V131 A132V54-V131 HydrophobicContact CG1-CG2 4.41Å; V54-A132 WeakPolarHBondContact O-CB 3.17Å; V54-A132 PolarHBondContact O-N 3.41Å
55T98.8Very high97.9Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-112162.2175.865.90000110.5L52 N80 T81 I82 V83 M133 Y378L52-T55 HydrophobicContact CB-CG2 4.38Å; L52-T55 HydrophobicContact CD1-CG2 4.49Å; T55-N80 HydrophobicContact CG2-CB 3.76Å; T55-T81 PolarHBondContact N-O 2.75Å; T55-T81 PolarHBondContact OG1-O 2.82Å; T55-I82 VanDerWaalsContact O-CA 3.3Å; T55-I82 WeakPolarHBondContact O-CA 3.41Å; T55-V83 PolarHBondContact O-N 3.37Å; T55-M133 CarbonylContact C-O 3.58Å; T55-M133 WeakPolarHBondContact CA-O 3.32Å; T55-M133 HydrophobicContact CG2-CB 3.95Å; T55-M133 HydrophobicContact CG2-SD 4.48Å; T55-Y378 HydrophobicContact CG2-CD1 4.24Å
56T98.8Very high97.9Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-133.3148.1178.864.30000111.1V83 L125 V131 M133 V134 S135T56-V83 CarbonylContact C-O 3.58Å; T56-V83 VanDerWaalsContact CA-O 3.24Å; T56-V83 WeakPolarHBondContact CA-O 3.31Å; T56-V83 HydrophobicContact CG2-CB 4.21Å; T56-L125 HydrophobicContact CG2-CB 4.16Å; T56-L125 HydrophobicContact CG2-CD2 3.95Å; T56-L125 HydrophobicContact CG2-CG 4.46Å; T56-V131 HydrophobicContact CG2-CB 4.32Å; T56-V131 HydrophobicContact CG2-CG1 3.62Å; T56-V131 HydrophobicContact CG2-CG2 3.67Å; T56-M133 PolarHBondContact N-O 3.09Å; T56-M133 PolarHBondContact OG1-O 2.89Å; T56-V134 WeakPolarHBondContact OG1-CA 3.43Å; T56-S135 WeakPolarHBondContact O-CB 3.45Å; T56-S135 PolarHBondContact O-N 3.39Å
57G98.5Very high97.8Very high0 Ų028.5 Ų28.50%015%0.146CC..EExtended strand (participates in β ladder)trans-124.4108175.900000111.2V83 I84 K85 S135G57-V83 PolarHBondContact N-O 2.81Å; G57-I84 CarbonylContact O-C 3.52Å; G57-I84 WeakPolarHBondContact O-CA 3.44Å; G57-K85 PolarHBondContact O-N 3.26Å; G57-S135 CarbonylContact C-O 3.51Å; G57-S135 VanDerWaalsContact CA-O 3.25Å; G57-S135 WeakPolarHBondContact CA-O 3.48Å
58I98.6Very high97.8Very high11 Ų1127.6 Ų27.66%0.05614%0.141CC..EExtended strand (participates in β ladder)trans-98.8117.6174.8-60.7174.2000108.1L125 V134 S135 M136 T137 I146I58-L125 HydrophobicContact CG1-CD1 4.39Å; I58-V134 HydrophobicContact CD1-CG1 3.97Å; I58-S135 PolarHBondContact N-O 2.84Å; I58-M136 HydrophobicContact CB-CB 4.07Å; I58-M136 HydrophobicContact CB-CG 3.8Å; I58-M136 HydrophobicContact CG2-CG 3.86Å; I58-M136 WeakPolarHBondContact O-CA 3.38Å; I58-T137 PolarHBondContact O-N 2.9Å; I58-I146 HydrophobicContact CD1-CD1 3.54Å; I58-I146 HydrophobicContact CD1-CG1 4.44Å
59L98.4Very high97.8Very high6 Ų623.7 Ų23.73%0.03112%0.124CC..  trans-109.9146.2-168.6-44.4-179.6000112.7L67 I68 K71 I84 K85 S87L59-L67 HydrophobicContact CD2-CB 4.17Å; L59-L67 WeakPolarHBondContact CD2-O 3.3Å; L59-I68 HydrophobicContact CD1-CB 4.17Å; L59-I68 HydrophobicContact CD1-CG1 3.4Å; L59-K71 HydrophobicContact CD2-CD 3.42Å; L59-K71 VanDerWaalsContact CD2-CD 3.42Å; L59-K71 HydrophobicContact CD2-CG 4.09Å; L59-I84 HydrophobicContact CD1-CG2 3.66Å; L59-I84 HydrophobicContact CG-CG2 4.16Å; L59-K85 PolarHBondContact N-O 3.29Å; L59-S87 PolarHBondContact O-N 3.41Å
60P97.7Very high97.8Very high17 Ų1721.7 Ų21.711%0.1112%0.116CC..  trans-81.6-173.6169.639.4-36.7000109.8N62 L67 T137P60-N62 WeakPolarHBondContact CG-OD1 3.39Å; P60-L67 VanDerWaalsContact CD-CD1 3.46Å; P60-L67 HydrophobicContact CG-CD1 3.33Å; P60-T137 WeakPolarHBondContact CD-O 3.25Å; P60-T137 HydrophobicContact CG-CG2 3.85Å
61W96.8Very high97.8Very high41 Ų4116 Ų1616%0.1559%0.094CC..SBendtrans-101.6-9.4-175.546.3-98.3000114.4P64 F89 T90 Q192 I238 F294W61-P64 WeakPolarHBondContact O-CD 3.34Å; W61-F89 HydrophobicContact CB-CB 4.16Å; W61-F89 AromaticContact CD1-CD2 3.84Å; W61-F89 HydrophobicContact CG-CB 4.47Å; W61-F89 HydrophobicContact CG-CD2 4.49Å; W61-T90 VanDerWaalsContact CA-OG1 3.31Å; W61-T90 WeakPolarHBondContact CA-OG1 3.4Å; W61-T90 HydrophobicContact CB-CG2 3.75Å; W61-T90 WeakPolarHBondContact CB-OG1 3.39Å; W61-Q192 HydrophobicContact CH2-CB 3.51Å; W61-Q192 HydrophobicContact CH2-CG 3.64Å; W61-Q192 HydrophobicContact CZ3-CB 3.61Å; W61-Q192 VanDerWaalsContact CZ3-CD 3.46Å; W61-Q192 HydrophobicContact CZ3-CG 4Å; W61-I238 HydrophobicContact CB-CD1 4.34Å; W61-I238 HydrophobicContact CB-CG1 4.44Å; W61-I238 HydrophobicContact CD2-CB 3.91Å; W61-I238 HydrophobicContact CD2-CD1 4.15Å; W61-I238 HydrophobicContact CD2-CG1 3.65Å; W61-I238 HydrophobicContact CD2-CG2 4.04Å; W61-I238 HydrophobicContact CE3-CB 3.68Å; W61-I238 HydrophobicContact CE3-CD1 3.9Å; W61-I238 HydrophobicContact CE3-CG1 3.72Å; W61-I238 HydrophobicContact CE3-CG2 4.17Å; W61-I238 HydrophobicContact CG-CD1 4.34Å; W61-I238 HydrophobicContact CG-CG1 3.96Å; W61-I238 HydrophobicContact CH2-CB 3.84Å; W61-I238 HydrophobicContact CH2-CG2 3.6Å; W61-I238 HydrophobicContact CZ2-CB 4.08Å; W61-I238 HydrophobicContact CZ2-CG2 3.46Å; W61-I238 VanDerWaalsContact CZ2-CG2 3.46Å; W61-I238 HydrophobicContact CZ3-CB 3.66Å; W61-I238 HydrophobicContact CZ3-CG1 4.25Å; W61-I238 HydrophobicContact CZ3-CG2 3.98Å; W61-F294 AromaticContact CH2-CD1 3.95Å; W61-F294 HydrophobicContact CH2-CD1 3.95Å; W61-F294 AromaticContact CH2-CE1 3.47Å; W61-F294 HydrophobicContact CH2-CE1 3.47Å; W61-F294 VanDerWaalsContact CH2-CE1 3.47Å; W61-F294 HydrophobicContact CZ2-CD1 4.09Å; W61-F294 AromaticContact CZ2-CE1 3.63Å; W61-F294 HydrophobicContact CZ2-CE1 3.63Å; W61-F294 HydrophobicContact CZ3-CE1 4.37Å
62N96.1Very high97.9Very high16 Ų1615.2 Ų15.29%0.0869%0.085CC..SBendtrans-84.6-30.9-166.862.5-33.4000114.9P60 N189 Q192P60-N62 WeakPolarHBondContact CG-OD1 3.39Å; N62-N189 PolarHBondContact O-ND2 3.38Å; N62-Q192 WeakPolarHBondContact CB-O 3.39Å; N62-Q192 PolarHBondContact ND2-O 3.18Å
63F95.9Very high97.8Very high23 Ų2314.3 Ų14.310%0.1018%0.082CC..SBendtrans-130.465167.9-72.7-86.6000109.6E13 F65 L67 V193 F351E13-F63 HydrophobicContact CG-CD1 4.44Å; E13-F63 WeakPolarHBondContact OE1-CA 3.43Å; F63-F65 VanDerWaalsContact C-N 3.31Å; F63-F65 PolarHBondContact O-N 2.87Å; F63-L67 HydrophobicContact CB-CD1 4.06Å; F63-L67 HydrophobicContact CB-CG 3.96Å; F63-L67 VanDerWaalsContact O-CB 3.26Å; F63-L67 WeakPolarHBondContact O-CB 3.45Å; F63-L67 WeakPolarHBondContact O-CD1 3.46Å; F63-L67 WeakPolarHBondContact O-CG 3.29Å; F63-L67 PolarHBondContact O-N 3.45Å; F63-L67 VanDerWaalsContact O-N 3.1Å; F63-V193 HydrophobicContact CE2-CB 4.15Å; F63-V193 HydrophobicContact CE2-CG1 3.83Å; F63-V193 HydrophobicContact CE2-CG2 3.5Å; F63-V193 HydrophobicContact CZ-CG1 4.36Å; F63-V193 HydrophobicContact CZ-CG2 3.84Å; F63-F351 HydrophobicContact CZ-CE2 4.27Å; F63-F351 HydrophobicContact CZ-CZ 4.49Å
64P96.3Very high97.8Very high16 Ų1612.8 Ų12.810%0.1047%0.066CC..THydrogen-bonded Turntrans-75.6-18.1-15934-38.9000113.8E13 W61 I68 T90 N93E13-P64 WeakPolarHBondContact OE1-CD 3.17Å; W61-P64 WeakPolarHBondContact O-CD 3.34Å; P64-I68 WeakPolarHBondContact O-CD1 3.12Å; P64-I68 WeakPolarHBondContact O-CG1 3.36Å; P64-T90 WeakPolarHBondContact CB-OG1 3.43Å; P64-N93 WeakPolarHBondContact CB-ND2 3.28Å; P64-N93 WeakPolarHBondContact CG-ND2 3.25Å; P64-N93 PolarHBondContact O-OD1 2.81Å
65F97.2Very high97.8Very high29 Ų2910.4 Ų10.413%0.1275%0.051CC..THydrogen-bonded Turntrans-90.7-50.2176.1-165.6-106.8000110.9E13 V14 T17 F63 L67 I68 N93 F97 I100E13-F65 HydrophobicContact CG-CB 4.45Å; E13-F65 WeakPolarHBondContact OE1-CA 3.36Å; E13-F65 PolarHBondContact OE1-N 2.94Å; V14-F65 HydrophobicContact CB-CE1 4.49Å; V14-F65 HydrophobicContact CG1-CE1 4.25Å; V14-F65 HydrophobicContact CG2-CD1 4.12Å; V14-F65 HydrophobicContact CG2-CE1 4.25Å; T17-F65 HydrophobicContact CG2-CD1 3.91Å; T17-F65 HydrophobicContact CG2-CE1 3.81Å; T17-F65 WeakPolarHBondContact OG1-CD1 3.38Å; F63-F65 VanDerWaalsContact C-N 3.31Å; F63-F65 PolarHBondContact O-N 2.87Å; F65-L67 PolarHBondContact O-N 3.46Å; F65-I68 WeakPolarHBondContact O-CB 3.49Å; F65-I68 PolarHBondContact O-N 3.04Å; F65-I68 VanDerWaalsContact O-N 3.16Å; F65-N93 HydrophobicContact CB-CB 4.42Å; F65-N93 HydrophobicContact CD2-CB 4.07Å; F65-F97 HydrophobicContact CD2-CB 4.33Å; F65-F97 HydrophobicContact CD2-CD2 4.11Å; F65-F97 HydrophobicContact CE1-CD2 4.32Å; F65-F97 HydrophobicContact CE2-CB 3.84Å; F65-F97 AromaticContact CE2-CD2 3.63Å; F65-F97 HydrophobicContact CE2-CD2 3.63Å; F65-F97 HydrophobicContact CE2-CG 4.23Å; F65-F97 AromaticContact CZ-CD2 3.75Å; F65-F97 HydrophobicContact CZ-CD2 3.75Å; F65-F97 HydrophobicContact CZ-CE2 4.47Å; F65-I100 HydrophobicContact CZ-CD1 4.43Å
66F97.2Very high97.8Very high7 Ų712.3 Ų12.33%0.0316%0.062CC..Hα-helixtrans-63.3-39.1-178.5166.4-112.6000112.8E13 F16 T17 Y20 I68 A69 R70E13-F66 HydrophobicContact CG-CB 3.61Å; E13-F66 PolarHBondContact OE1-N 3.26Å; F16-F66 AromaticContact CD1-CD2 3.65Å; F16-F66 HydrophobicContact CD1-CD2 3.65Å; F16-F66 HydrophobicContact CD1-CE1 4.47Å; F16-F66 AromaticContact CD1-CE2 3.5Å; F16-F66 HydrophobicContact CD1-CE2 3.5Å; F16-F66 HydrophobicContact CD1-CG 4.23Å; F16-F66 AromaticContact CD1-CZ 3.96Å; F16-F66 HydrophobicContact CD1-CZ 3.96Å; F16-F66 HydrophobicContact CE1-CD2 4.02Å; F16-F66 HydrophobicContact CE1-CE1 4.1Å; F16-F66 AromaticContact CE1-CE2 3.4Å; F16-F66 HydrophobicContact CE1-CE2 3.4Å; F16-F66 AromaticContact CE1-CZ 3.45Å; F16-F66 HydrophobicContact CE1-CZ 3.45Å; F16-F66 VanDerWaalsContact CE1-CZ 3.45Å; T17-F66 VanDerWaalsContact OG1-CA 3.27Å; T17-F66 WeakPolarHBondContact OG1-CA 3.42Å; Y20-F66 HydrophobicContact CD1-CE2 4.45Å; Y20-F66 AromaticContact CD2-CE2 3.72Å; Y20-F66 HydrophobicContact CD2-CE2 3.72Å; Y20-F66 HydrophobicContact CD2-CZ 4.02Å; Y20-F66 HydrophobicContact CE2-CE2 4.36Å; Y20-F66 HydrophobicContact CE2-CZ 4.29Å; Y20-F66 AromaticContact CG-CE2 3.77Å; Y20-F66 HydrophobicContact CG-CE2 3.77Å; Y20-F66 HydrophobicContact CG-CZ 4.48Å; F66-I68 PolarHBondContact O-N 3.4Å; F66-I68 VanDerWaalsContact O-N 3.13Å; F66-A69 PolarHBondContact O-N 2.81Å; F66-R70 HydrophobicContact CE1-CB 4.31Å; F66-R70 HydrophobicContact CE2-CB 4.41Å; F66-R70 HydrophobicContact CZ-CB 4.07Å; F66-R70 HydrophobicContact CZ-CG 4.3Å; F66-R70 PolarHBondContact O-N 2.91Å
67L97.7Very high97.8Very high7 Ų714.2 Ų14.24%0.0377%0.071CC..Hα-helixtrans-66.9-16.3-179.6-66.7176.9000113.5L59 P60 F63 F65 R70 K71 T137L59-L67 HydrophobicContact CD2-CB 4.17Å; L59-L67 WeakPolarHBondContact CD2-O 3.3Å; P60-L67 VanDerWaalsContact CD-CD1 3.46Å; P60-L67 HydrophobicContact CG-CD1 3.33Å; F63-L67 HydrophobicContact CB-CD1 4.06Å; F63-L67 HydrophobicContact CB-CG 3.96Å; F63-L67 VanDerWaalsContact O-CB 3.26Å; F63-L67 WeakPolarHBondContact O-CB 3.45Å; F63-L67 WeakPolarHBondContact O-CD1 3.46Å; F63-L67 WeakPolarHBondContact O-CG 3.29Å; F63-L67 PolarHBondContact O-N 3.45Å; F63-L67 VanDerWaalsContact O-N 3.1Å; F65-L67 PolarHBondContact O-N 3.46Å; L67-R70 HydrophobicContact CD2-CB 4.35Å; L67-K71 PolarHBondContact O-N 3.41Å; L67-T137 HydrophobicContact CD1-CG2 4.22Å
68I98.5Very high97.8Very high1 Ų114.4 Ų14.41%0.0057%0.073CC..Hα-helixtrans-65.8-53.7168.4-56.8165.7000109L59 P64 F65 F66 R70 K71 M72 I84 A94 F97 F111L59-I68 HydrophobicContact CD1-CB 4.17Å; L59-I68 HydrophobicContact CD1-CG1 3.4Å; P64-I68 WeakPolarHBondContact O-CD1 3.12Å; P64-I68 WeakPolarHBondContact O-CG1 3.36Å; F65-I68 WeakPolarHBondContact O-CB 3.49Å; F65-I68 PolarHBondContact O-N 3.04Å; F65-I68 VanDerWaalsContact O-N 3.16Å; F66-I68 PolarHBondContact O-N 3.4Å; F66-I68 VanDerWaalsContact O-N 3.13Å; I68-R70 PolarHBondContact O-N 3.23Å; I68-K71 PolarHBondContact O-N 2.83Å; I68-M72 WeakPolarHBondContact O-CB 3.48Å; I68-M72 PolarHBondContact O-N 2.78Å; I68-I84 HydrophobicContact CG2-CG1 4.47Å; I68-A94 HydrophobicContact CD1-CB 3.78Å; I68-F97 HydrophobicContact CB-CD2 4.23Å; I68-F97 HydrophobicContact CB-CE2 4.28Å; I68-F97 HydrophobicContact CB-CG 4.4Å; I68-F97 HydrophobicContact CB-CZ 4.49Å; I68-F97 HydrophobicContact CD1-CB 3.74Å; I68-F97 HydrophobicContact CD1-CD2 4.07Å; I68-F97 HydrophobicContact CD1-CG 3.88Å; I68-F97 HydrophobicContact CG2-CD1 3.64Å; I68-F97 HydrophobicContact CG2-CD2 4.09Å; I68-F97 HydrophobicContact CG2-CE1 3.61Å; I68-F97 HydrophobicContact CG2-CE2 4.07Å; I68-F97 HydrophobicContact CG2-CG 3.9Å; I68-F97 HydrophobicContact CG2-CZ 3.84Å; I68-F111 HydrophobicContact CG2-CE2 4.07Å; I68-F111 HydrophobicContact CG2-CZ 4.34Å
69A97.9Very high97.7Very high0 Ų016.6 Ų16.60%010%0.098CC..Hα-helixtrans-63.1-41.917900000112T17 Y20 I21 F66 K71 M72 A73T17-A69 HydrophobicContact CG2-CB 3.46Å; T17-A69 VanDerWaalsContact CG2-CB 3.46Å; Y20-A69 HydrophobicContact CD1-CB 4.46Å; I21-A69 HydrophobicContact CD1-CB 4.1Å; I21-A69 HydrophobicContact CG1-CB 3.94Å; F66-A69 PolarHBondContact O-N 2.81Å; A69-K71 PolarHBondContact O-N 3.42Å; A69-K71 VanDerWaalsContact O-N 3.13Å; A69-M72 PolarHBondContact O-N 2.78Å; A69-A73 VanDerWaalsContact O-CB 3.25Å; A69-A73 WeakPolarHBondContact O-CB 3.42Å; A69-A73 PolarHBondContact O-N 3.2Å
70R97.9Very high97.8Very high13 Ų1316.6 Ų16.65%0.04910%0.098CC..Hα-helixtrans-54-35.8178.6-170.1175.8-105.4166.26.6112.7Y20 F66 L67 I68 P74 E352 A369 D370Y20-R70 VanDerWaalsContact CE1-CA 3.5Å; Y20-R70 HydrophobicContact CE1-CB 4.4Å; Y20-R70 HydrophobicContact CE2-CG 4.48Å; Y20-R70 PolarHBondContact OH-O 3.13Å; F66-R70 HydrophobicContact CE1-CB 4.31Å; F66-R70 HydrophobicContact CE2-CB 4.41Å; F66-R70 HydrophobicContact CZ-CB 4.07Å; F66-R70 HydrophobicContact CZ-CG 4.3Å; F66-R70 PolarHBondContact O-N 2.91Å; L67-R70 HydrophobicContact CD2-CB 4.35Å; I68-R70 PolarHBondContact O-N 3.23Å; R70-P74 WeakPolarHBondContact O-CD 3.4Å; R70-P74 VanDerWaalsContact O-CG 3.31Å; R70-P74 WeakPolarHBondContact O-CG 3.45Å; R70-E352 IonicContact CZ-OE1 3.32Å; R70-E352 VanDerWaalsContact CZ-OE1 3.23Å; R70-E352 IonicContact NH1-OE1 2.71Å; R70-E352 PolarHBondContact NH1-OE1 2.83Å; R70-E352 IonicContact NH2-OE1 3.49Å; R70-E352 PolarHBondContact NH2-OE1 2.82Å; R70-A369 HydrophobicContact CG-CB 3.81Å; R70-D370 IonicContact CZ-OD1 2.76Å; R70-D370 IonicContact CZ-OD2 3.44Å; R70-D370 IonicContact NE-OD1 3.33Å; R70-D370 PolarHBondContact NE-OD1 2.83Å; R70-D370 IonicContact NE-OD2 2.75Å; R70-D370 PolarHBondContact NE-OD2 3.2Å; R70-D370 IonicContact NH2-OD1 3.18Å; R70-D370 PolarHBondContact NH2-OD1 3.2Å; R70-D370 IonicContact NH2-OD2 3.44Å; R70-D370 PolarHBondContact NH2-OD2 3.43Å
71K98.5Very high97.8Very high4 Ų418 Ų182%0.01711%0.106CC..Hα-helixtrans-93.1-38.8177.2-60.9-166.5-169.8-63.90113.8L59 L67 I68 A69 A75 I82 I84 S135 T137 Y378L59-K71 HydrophobicContact CD2-CD 3.42Å; L59-K71 VanDerWaalsContact CD2-CD 3.42Å; L59-K71 HydrophobicContact CD2-CG 4.09Å; L67-K71 PolarHBondContact O-N 3.41Å; I68-K71 PolarHBondContact O-N 2.83Å; A69-K71 PolarHBondContact O-N 3.42Å; A69-K71 VanDerWaalsContact O-N 3.13Å; K71-A75 WeakPolarHBondContact O-CB 3.38Å; K71-I82 HydrophobicContact CB-CD1 4.13Å; K71-I82 WeakPolarHBondContact O-CD1 3.47Å; K71-I84 HydrophobicContact CB-CD1 4.36Å; K71-S135 WeakPolarHBondContact CD-OG 2.96Å; K71-S135 PolarHBondContact NZ-OG 3.28Å; K71-T137 WeakPolarHBondContact CE-OG1 3.38Å; K71-T137 PolarHBondContact NZ-OG1 2.65Å; K71-Y378 WeakPolarHBondContact CA-OH 3.34Å; K71-Y378 PolarHBondContact O-OH 3.35Å
72M98.4Very high97.9Very high15 Ų1516 Ų167%0.07410%0.099CC..Hα-helixtrans-70.6-48.8-176.5179.6-167.276.400112I21 I68 A69 A75 L76 I82 F97 V101 F111I21-M72 HydrophobicContact CD1-CE 4.41Å; I68-M72 WeakPolarHBondContact O-CB 3.48Å; I68-M72 PolarHBondContact O-N 2.78Å; A69-M72 PolarHBondContact O-N 2.78Å; M72-A75 WeakPolarHBondContact O-CB 3.3Å; M72-A75 PolarHBondContact O-N 2.85Å; M72-L76 HydrophobicContact CG-CD1 3.71Å; M72-L76 HydrophobicContact CG-CG 3.86Å; M72-L76 WeakPolarHBondContact O-CG 3.13Å; M72-L76 PolarHBondContact O-N 2.93Å; M72-L76 HydrophobicContact SD-CD1 4.08Å; M72-I82 HydrophobicContact CB-CG2 4.41Å; M72-I82 HydrophobicContact CG-CG2 4.05Å; M72-F97 HydrophobicContact CE-CE1 3.8Å; M72-F97 HydrophobicContact CE-CZ 3.56Å; M72-F97 HydrophobicContact SD-CE1 3.59Å; M72-F97 VanDerWaalsContact SD-CE1 3.59Å; M72-F97 HydrophobicContact SD-CZ 3.97Å; M72-V101 HydrophobicContact SD-CG2 4.46Å; M72-F111 HydrophobicContact CG-CD2 3.9Å; M72-F111 HydrophobicContact CG-CE2 4.31Å; M72-F111 HydrophobicContact SD-CD2 3.49Å; M72-F111 WeakPolarHBondContact SD-CD2 3.21Å; M72-F111 HydrophobicContact SD-CE2 3.77Å; M72-F111 HydrophobicContact SD-CG 4.37Å
73A98.4Very high98Very high10 Ų1016.3 Ų16.38%0.08310%0.101CC..Hα-helixtrans-58.6-53.2-171.500000112.9Y20 I21 M24 A69 A75 L76 L77Y20-A73 HydrophobicContact CD1-CB 4.33Å; Y20-A73 HydrophobicContact CE1-CB 4.21Å; I21-A73 HydrophobicContact CG1-CB 4.36Å; M24-A73 HydrophobicContact CB-CB 3.75Å; M24-A73 HydrophobicContact CG-CB 3.94Å; A69-A73 VanDerWaalsContact O-CB 3.25Å; A69-A73 WeakPolarHBondContact O-CB 3.42Å; A69-A73 PolarHBondContact O-N 3.2Å; A73-A75 VanDerWaalsContact C-N 3.3Å; A73-A75 PolarHBondContact O-N 3.05Å; A73-L76 PolarHBondContact O-N 2.88Å; A73-L77 WeakPolarHBondContact O-CB 3.39Å; A73-L77 PolarHBondContact O-N 2.86Å
74P98.3Very high98.2Very high2 Ų215.2 Ų15.21%0.01310%0.096CC..Hα-helixtrans-64.8-32.817726.4-35.7000112.6M24 R70 T78 Y378M24-P74 HydrophobicContact SD-CB 4.28Å; R70-P74 WeakPolarHBondContact O-CD 3.4Å; R70-P74 VanDerWaalsContact O-CG 3.31Å; R70-P74 WeakPolarHBondContact O-CG 3.45Å; P74-T78 WeakPolarHBondContact O-CB 3.33Å; P74-T78 VanDerWaalsContact O-CG2 3.31Å; P74-T78 WeakPolarHBondContact O-CG2 3.45Å; P74-T78 PolarHBondContact O-N 2.9Å; P74-T78 VanDerWaalsContact O-N 3.14Å; P74-T78 PolarHBondContact O-OG1 3.24Å; P74-Y378 HydrophobicContact CB-CD2 3.71Å; P74-Y378 HydrophobicContact CB-CE2 3.93Å; P74-Y378 HydrophobicContact CB-CG 4.33Å; P74-Y378 HydrophobicContact CG-CD2 3.89Å; P74-Y378 HydrophobicContact CG-CE2 3.55Å
75A98.7Very high98.3Very high0 Ų014.6 Ų14.60%09%0.092CC..Hα-helixtrans-62.1-53.9176.900000111.6K71 M72 A73 T78 G79 N80 I82 Y378K71-A75 WeakPolarHBondContact O-CB 3.38Å; M72-A75 WeakPolarHBondContact O-CB 3.3Å; M72-A75 PolarHBondContact O-N 2.85Å; A73-A75 VanDerWaalsContact C-N 3.3Å; A73-A75 PolarHBondContact O-N 3.05Å; A75-T78 PolarHBondContact O-N 3.29Å; A75-T78 PolarHBondContact O-OG1 2.83Å; A75-T78 VanDerWaalsContact O-OG1 3.05Å; A75-G79 PolarHBondContact O-N 2.92Å; A75-N80 HydrophobicContact CB-CB 4.27Å; A75-N80 WeakPolarHBondContact O-CA 3.48Å; A75-N80 VanDerWaalsContact O-CB 3.24Å; A75-N80 WeakPolarHBondContact O-CB 3.43Å; A75-N80 PolarHBondContact O-N 2.8Å; A75-N80 PolarHBondContact O-ND2 3.18Å; A75-I82 HydrophobicContact CB-CB 4.24Å; A75-I82 HydrophobicContact CB-CD1 3.97Å; A75-Y378 HydrophobicContact CB-CD1 3.58Å; A75-Y378 HydrophobicContact CB-CE1 3.58Å; A75-Y378 HydrophobicContact CB-CG 4.5Å
76L98.4Very high98.3Very high41 Ų4113.4 Ų13.422%0.2159%0.087CC..Hα-helixtrans-66-43-177.4-61.2-166000111.5M72 A73 T78 G79 N80 I82 L106 V110M72-L76 HydrophobicContact CG-CD1 3.71Å; M72-L76 HydrophobicContact CG-CG 3.86Å; M72-L76 WeakPolarHBondContact O-CG 3.13Å; M72-L76 PolarHBondContact O-N 2.93Å; M72-L76 HydrophobicContact SD-CD1 4.08Å; A73-L76 PolarHBondContact O-N 2.88Å; L76-T78 VanDerWaalsContact C-N 3.25Å; L76-T78 PolarHBondContact O-N 3.02Å; L76-G79 PolarHBondContact O-N 3.36Å; L76-N80 WeakPolarHBondContact CD2-O 3.35Å; L76-I82 HydrophobicContact CD2-CG2 4.12Å; L76-L106 HydrophobicContact CD1-CD1 3.81Å; L76-V110 HydrophobicContact CD1-CG1 4.08Å; L76-V110 HydrophobicContact CD2-CG1 3.5Å; L76-V110 HydrophobicContact CG-CG1 4.37Å
77L98Very high98.4Very high39 Ų3913.3 Ų13.320%0.2049%0.087CC..Hα-helixtrans-57.3-39.4178.2-17587.9000112.7M24 W27 A28 A73 G79 L375M24-L77 WeakPolarHBondContact O-CD1 3.18Å; M24-L77 WeakPolarHBondContact O-CD2 3.48Å; W27-L77 HydrophobicContact CB-CD2 3.56Å; A28-L77 HydrophobicContact CB-CD1 3.73Å; A73-L77 WeakPolarHBondContact O-CB 3.39Å; A73-L77 PolarHBondContact O-N 2.86Å; L77-G79 PolarHBondContact O-N 3.3Å; L77-L375 HydrophobicContact CD2-CD1 3.29Å; L77-L375 HydrophobicContact CD2-CG 4.32Å
78T98.3Very high98.3Very high5 Ų516.7 Ų16.73%0.03110%0.103CC..THydrogen-bonded Turntrans-85.16.6-178.953.40000113.1A51 P74 A75 L76 N80 L375 Y378 L379A51-T78 VanDerWaalsContact CB-O 3.26Å; A51-T78 WeakPolarHBondContact CB-O 3.37Å; P74-T78 WeakPolarHBondContact O-CB 3.33Å; P74-T78 VanDerWaalsContact O-CG2 3.31Å; P74-T78 WeakPolarHBondContact O-CG2 3.45Å; P74-T78 PolarHBondContact O-N 2.9Å; P74-T78 VanDerWaalsContact O-N 3.14Å; P74-T78 PolarHBondContact O-OG1 3.24Å; A75-T78 PolarHBondContact O-N 3.29Å; A75-T78 PolarHBondContact O-OG1 2.83Å; A75-T78 VanDerWaalsContact O-OG1 3.05Å; L76-T78 VanDerWaalsContact C-N 3.25Å; L76-T78 PolarHBondContact O-N 3.02Å; T78-N80 PolarHBondContact OG1-ND2 2.92Å; T78-L375 HydrophobicContact CG2-CD2 3.82Å; T78-L375 HydrophobicContact CG2-CG 3.83Å; T78-Y378 VanDerWaalsContact OG1-CB 3.29Å; T78-Y378 WeakPolarHBondContact OG1-CB 3.48Å; T78-L379 HydrophobicContact CG2-CD1 4.18Å; T78-L379 HydrophobicContact CG2-CD2 3.74Å; T78-L379 HydrophobicContact CG2-CG 3.78Å
79G98Very high98.2Very high57 Ų5721.7 Ų21.759%0.58813%0.125SC*.THydrogen-bonded Turntrans85.618175.100000114.6A51 A75 L76 L77A51-G79 WeakPolarHBondContact CB-O 3.45Å; A75-G79 PolarHBondContact O-N 2.92Å; L76-G79 PolarHBondContact O-N 3.36Å; L77-G79 PolarHBondContact O-N 3.3Å
80N98.8Very high98.1Very high5 Ų523 Ų233%0.02713%0.133CC..  trans-90.3158.2174.3-59.8-78.9000111.5L52 G53 T55 A75 L76 T78 Y378L52-N80 WeakPolarHBondContact CA-OD1 3.32Å; L52-N80 WeakPolarHBondContact CB-OD1 3.32Å; L52-N80 PolarHBondContact N-OD1 2.95Å; G53-N80 PolarHBondContact N-OD1 3.31Å; G53-N80 WeakPolarHBondContact O-CA 3.47Å; G53-N80 WeakPolarHBondContact O-CB 3.35Å; G53-N80 PolarHBondContact O-OD1 2.96Å; T55-N80 HydrophobicContact CG2-CB 3.76Å; A75-N80 HydrophobicContact CB-CB 4.27Å; A75-N80 WeakPolarHBondContact O-CA 3.48Å; A75-N80 VanDerWaalsContact O-CB 3.24Å; A75-N80 WeakPolarHBondContact O-CB 3.43Å; A75-N80 PolarHBondContact O-N 2.8Å; A75-N80 PolarHBondContact O-ND2 3.18Å; L76-N80 WeakPolarHBondContact CD2-O 3.35Å; T78-N80 PolarHBondContact OG1-ND2 2.92Å; N80-Y378 PolarHBondContact ND2-O 3.2Å
81T98.8Very high98.1Very high46 Ų4623.9 Ų23.928%0.28214%0.14SC..EExtended strand (participates in β ladder)trans-95157.1159.764.10000109.6G53 T55 V110G53-T81 PolarHBondContact O-N 3.32Å; T55-T81 PolarHBondContact N-O 2.75Å; T55-T81 PolarHBondContact OG1-O 2.82Å; T81-V110 WeakPolarHBondContact CA-O 3.21Å
82I98.8Very high98Very high0 Ų029.7 Ų29.70%017%0.171CC..EExtended strand (participates in β ladder)trans-133139.6-179.1-163.7165.9000113.3T55 K71 M72 A75 L76 I84 V110 F111 N112T55-I82 VanDerWaalsContact O-CA 3.3Å; T55-I82 WeakPolarHBondContact O-CA 3.41Å; K71-I82 HydrophobicContact CB-CD1 4.13Å; K71-I82 WeakPolarHBondContact O-CD1 3.47Å; M72-I82 HydrophobicContact CB-CG2 4.41Å; M72-I82 HydrophobicContact CG-CG2 4.05Å; A75-I82 HydrophobicContact CB-CB 4.24Å; A75-I82 HydrophobicContact CB-CD1 3.97Å; L76-I82 HydrophobicContact CD2-CG2 4.12Å; I82-I84 HydrophobicContact CD1-CD1 3.54Å; I82-I84 HydrophobicContact CD1-CG1 4.43Å; I82-I84 HydrophobicContact CG1-CD1 3.84Å; I82-I84 HydrophobicContact CG1-CG1 4.34Å; I82-V110 PolarHBondContact N-O 2.86Å; I82-F111 HydrophobicContact CG2-CD2 3.94Å; I82-N112 PolarHBondContact O-N 3.32Å; I82-N112 PolarHBondContact O-ND2 2.88Å; I82-N112 VanDerWaalsContact O-ND2 3.12Å
83V98.8Very high97.9Very high22 Ų2230.8 Ų30.813%0.13318%0.177CC..EExtended strand (participates in β ladder)trans-110117.8166.2-170.30000109.3T55 T56 G57 N112 V114 L125T55-V83 PolarHBondContact O-N 3.37Å; T56-V83 CarbonylContact C-O 3.58Å; T56-V83 VanDerWaalsContact CA-O 3.24Å; T56-V83 WeakPolarHBondContact CA-O 3.31Å; T56-V83 HydrophobicContact CG2-CB 4.21Å; G57-V83 PolarHBondContact N-O 2.81Å; V83-N112 CarbonylContact C-O 3.54Å; V83-N112 WeakPolarHBondContact CA-O 3.31Å; V83-N112 HydrophobicContact CB-CB 4.46Å; V83-N112 HydrophobicContact CG1-CB 4.26Å; V83-N112 HydrophobicContact CG2-CB 4.19Å; V83-V114 HydrophobicContact CG1-CB 4.33Å; V83-V114 HydrophobicContact CG1-CG2 3.66Å; V83-L125 HydrophobicContact CB-CD2 4.13Å; V83-L125 HydrophobicContact CG1-CD1 4.41Å; V83-L125 HydrophobicContact CG1-CD2 3.79Å
84I98.8Very high97.9Very high0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-98.8130.6178.6-64.1-60.1000110.2G57 L59 I68 K71 I82 F111 N112 L113 V114G57-I84 CarbonylContact O-C 3.52Å; G57-I84 WeakPolarHBondContact O-CA 3.44Å; L59-I84 HydrophobicContact CD1-CG2 3.66Å; L59-I84 HydrophobicContact CG-CG2 4.16Å; I68-I84 HydrophobicContact CG2-CG1 4.47Å; K71-I84 HydrophobicContact CB-CD1 4.36Å; I82-I84 HydrophobicContact CD1-CD1 3.54Å; I82-I84 HydrophobicContact CD1-CG1 4.43Å; I82-I84 HydrophobicContact CG1-CD1 3.84Å; I82-I84 HydrophobicContact CG1-CG1 4.34Å; I84-F111 HydrophobicContact CB-CE2 4.31Å; I84-F111 HydrophobicContact CB-CZ 4.44Å; I84-F111 HydrophobicContact CG1-CD2 4.37Å; I84-F111 HydrophobicContact CG1-CE2 3.63Å; I84-F111 HydrophobicContact CG1-CZ 4.23Å; I84-N112 PolarHBondContact N-O 3.09Å; I84-L113 HydrophobicContact CB-CD1 4.45Å; I84-L113 HydrophobicContact CG2-CD1 4.19Å; I84-V114 PolarHBondContact O-N 3.45Å
85K98.6Very high97.9Very high4 Ų433.1 Ų33.12%0.01719%0.188CC..EExtended strand (participates in β ladder)trans-116.4102.7166.7-169.9-142.989.973.50109.9G57 L59 E88 V114 G116 V121 L125G57-K85 PolarHBondContact O-N 3.26Å; L59-K85 PolarHBondContact N-O 3.29Å; K85-E88 IonicContact NZ-OE2 3.46Å; K85-E88 PolarHBondContact NZ-OE2 3Å; K85-V114 WeakPolarHBondContact CA-O 3.28Å; K85-V114 WeakPolarHBondContact CG-O 3.32Å; K85-G116 PolarHBondContact NZ-O 2.84Å; K85-V121 HydrophobicContact CB-CG1 4.37Å; K85-V121 HydrophobicContact CD-CB 4.14Å; K85-V121 HydrophobicContact CD-CG1 4.05Å; K85-V121 HydrophobicContact CG-CB 4.33Å; K85-V121 HydrophobicContact CG-CG1 3.8Å; K85-L125 HydrophobicContact CB-CD1 3.79Å
86P98.4Very high97.8Very high3 Ų335.3 Ų35.32%0.01921%0.206CC..  trans-70.9166.2175.334-37.5000110.8A94 L113 L115P86-A94 HydrophobicContact CB-CB 3.64Å; P86-A94 HydrophobicContact CG-CB 3.7Å; P86-L113 HydrophobicContact CG-CD1 3.99Å; P86-L115 HydrophobicContact CG-CD2 3.51Å
87S97.7Very high97.8Very high6 Ų633.9 Ų33.94%0.04220%0.198CC..  trans-63.6139.3168.6-177.40000110.8L59 F89 T90L59-S87 PolarHBondContact O-N 3.41Å; S87-F89 PolarHBondContact O-N 3.34Å; S87-F89 WeakPolarHBondContact OG-CD2 3.34Å; S87-F89 PolarHBondContact OG-N 3.2Å; S87-T90 CarbonylContact O-C 3.52Å; S87-T90 PolarHBondContact O-N 3.25Å
88E96.5Very high97.8Very high77 Ų7733.2 Ų33.236%0.3620%0.198SC..THydrogen-bonded Turntrans-62.7-17.5172.962-92.6-137.100113.5K85 P91K85-E88 IonicContact NZ-OE2 3.46Å; K85-E88 PolarHBondContact NZ-OE2 3Å; E88-P91 WeakPolarHBondContact O-CD 3.32Å
89F96.6Very high97.8Very high107 Ų10739.4 Ų39.447%0.46923%0.225SC..THydrogen-bonded Turntrans-79.3-25.5176.3-63.4-64.7000112.8W61 S87 I238 N239W61-F89 HydrophobicContact CB-CB 4.16Å; W61-F89 AromaticContact CD1-CD2 3.84Å; W61-F89 HydrophobicContact CG-CB 4.47Å; W61-F89 HydrophobicContact CG-CD2 4.49Å; S87-F89 PolarHBondContact O-N 3.34Å; S87-F89 WeakPolarHBondContact OG-CD2 3.34Å; S87-F89 PolarHBondContact OG-N 3.2Å; F89-I238 HydrophobicContact CB-CD1 4.18Å; F89-I238 HydrophobicContact CB-CG1 4.04Å; F89-I238 HydrophobicContact CG-CG1 4.34Å; F89-N239 VanDerWaalsContact CE1-ND2 3.28Å; F89-N239 WeakPolarHBondContact CE1-ND2 3.44Å; F89-N239 VanDerWaalsContact CZ-ND2 3.31Å; F89-N239 WeakPolarHBondContact CZ-ND2 3.28Å
90T96Very high97.8Very high27 Ų2740.5 Ų40.517%0.16622%0.216CC..SBendtrans-137.953.1-175.757.90000112.6W61 P64 S87 N92 N93 I238W61-T90 VanDerWaalsContact CA-OG1 3.31Å; W61-T90 WeakPolarHBondContact CA-OG1 3.4Å; W61-T90 HydrophobicContact CB-CG2 3.75Å; W61-T90 WeakPolarHBondContact CB-OG1 3.39Å; P64-T90 WeakPolarHBondContact CB-OG1 3.43Å; S87-T90 CarbonylContact O-C 3.52Å; S87-T90 PolarHBondContact O-N 3.25Å; T90-N92 PolarHBondContact O-N 3.05Å; T90-N93 PolarHBondContact O-ND2 3.03Å; T90-N93 VanDerWaalsContact O-ND2 3.13Å; T90-N93 PolarHBondContact O-OD1 3.22Å; T90-I238 HydrophobicContact CG2-CD1 4.03Å
91P97.2Very high97.7Very high31 Ų3141 Ų4120%0.20122%0.22CC..  trans-77.1-21.1-173.232-36.9000113.9E88 N93 A94 I95 L115E88-P91 WeakPolarHBondContact O-CD 3.32Å; P91-N93 PolarHBondContact O-N 3.46Å; P91-A94 PolarHBondContact O-N 3.03Å; P91-I95 WeakPolarHBondContact O-CG1 3.28Å; P91-I95 PolarHBondContact O-N 2.98Å; P91-I95 VanDerWaalsContact O-N 3.16Å; P91-L115 HydrophobicContact CB-CD2 4.26Å
92N97.3Very high97.6Very high126 Ų12645.3 Ų45.367%0.67424%0.241SC*.Hα-helixtrans-64.5-38.1-168.7-68.3-13.8000113.4T90 A94 I95 A96T90-N92 PolarHBondContact O-N 3.05Å; N92-A94 VanDerWaalsContact C-N 3.34Å; N92-I95 PolarHBondContact O-N 3.44Å; N92-A96 PolarHBondContact O-N 2.95Å
93N94.8Very high97.5Very high38 Ų3852.8 Ų52.820%0.20328%0.276CS..Hα-helixtrans-66.4-35.9177.653.252.5000111.9P64 F65 T90 P91 I95 A96 F97P64-N93 WeakPolarHBondContact CB-ND2 3.28Å; P64-N93 WeakPolarHBondContact CG-ND2 3.25Å; P64-N93 PolarHBondContact O-OD1 2.81Å; F65-N93 HydrophobicContact CB-CB 4.42Å; F65-N93 HydrophobicContact CD2-CB 4.07Å; T90-N93 PolarHBondContact O-ND2 3.03Å; T90-N93 VanDerWaalsContact O-ND2 3.13Å; T90-N93 PolarHBondContact O-OD1 3.22Å; P91-N93 PolarHBondContact O-N 3.46Å; N93-I95 VanDerWaalsContact C-N 3.33Å; N93-A96 WeakPolarHBondContact O-CB 3.34Å; N93-A96 PolarHBondContact O-N 2.89Å; N93-F97 WeakPolarHBondContact O-CB 3.47Å; N93-F97 PolarHBondContact O-N 3.46Å
94A98Very high97.4Very high1 Ų157.6 Ų57.61%0.00830%0.3CS..Hα-helixtrans-69.4-34.4176.500000111.6I68 P86 P91 N92 F97 A98 L113I68-A94 HydrophobicContact CD1-CB 3.78Å; P86-A94 HydrophobicContact CB-CB 3.64Å; P86-A94 HydrophobicContact CG-CB 3.7Å; P91-A94 PolarHBondContact O-N 3.03Å; N92-A94 VanDerWaalsContact C-N 3.34Å; A94-F97 PolarHBondContact O-N 3.45Å; A94-A98 WeakPolarHBondContact O-CB 3.23Å; A94-A98 PolarHBondContact O-N 2.9Å; A94-L113 HydrophobicContact CB-CD1 3.9Å; A94-L113 HydrophobicContact CB-CD2 4.4Å; A94-L113 WeakPolarHBondContact O-CD2 3.38Å
95I98.4Very high97.3Very high61 Ų6160.3 Ų60.331%0.31333%0.327SS..Hα-helixtrans-64.5-43.4171.1-63.4167.7000110.4P91 N92 N93 A98 K99 L113 L115P91-I95 WeakPolarHBondContact O-CG1 3.28Å; P91-I95 PolarHBondContact O-N 2.98Å; P91-I95 VanDerWaalsContact O-N 3.16Å; N92-I95 PolarHBondContact O-N 3.44Å; N93-I95 VanDerWaalsContact C-N 3.33Å; I95-A98 PolarHBondContact O-N 3.01Å; I95-K99 WeakPolarHBondContact O-CG 3.29Å; I95-K99 PolarHBondContact O-N 3.11Å; I95-K99 VanDerWaalsContact O-N 3.12Å; I95-L113 HydrophobicContact CG1-CD2 4.15Å; I95-L115 HydrophobicContact CD1-CD1 3.94Å; I95-L115 HydrophobicContact CG1-CD1 4.19Å
96A98Very high97.1Very high45 Ų4563.2 Ų63.237%0.37234%0.342SS..Hα-helixtrans-62.2-43.917500000111.7N92 N93 A98 K99 I100N92-A96 PolarHBondContact O-N 2.95Å; N93-A96 WeakPolarHBondContact O-CB 3.34Å; N93-A96 PolarHBondContact O-N 2.89Å; A96-A98 VanDerWaalsContact C-N 3.34Å; A96-A98 PolarHBondContact O-N 2.93Å; A96-K99 WeakPolarHBondContact O-CB 3.35Å; A96-K99 PolarHBondContact O-N 2.78Å; A96-I100 PolarHBondContact O-N 2.91Å
97F98Very high97.1Very high12 Ų1267.3 Ų67.35%0.05337%0.369CS..Hα-helixtrans-58.2-44.9174.4-166.3-76.2000111.6T17 F65 I68 M72 N93 A94 K99 I100 V101 F111T17-F97 HydrophobicContact CG2-CE2 4.11Å; F65-F97 HydrophobicContact CD2-CB 4.33Å; F65-F97 HydrophobicContact CD2-CD2 4.11Å; F65-F97 HydrophobicContact CE1-CD2 4.32Å; F65-F97 HydrophobicContact CE2-CB 3.84Å; F65-F97 AromaticContact CE2-CD2 3.63Å; F65-F97 HydrophobicContact CE2-CD2 3.63Å; F65-F97 HydrophobicContact CE2-CG 4.23Å; F65-F97 AromaticContact CZ-CD2 3.75Å; F65-F97 HydrophobicContact CZ-CD2 3.75Å; F65-F97 HydrophobicContact CZ-CE2 4.47Å; I68-F97 HydrophobicContact CB-CD2 4.23Å; I68-F97 HydrophobicContact CB-CE2 4.28Å; I68-F97 HydrophobicContact CB-CG 4.4Å; I68-F97 HydrophobicContact CB-CZ 4.49Å; I68-F97 HydrophobicContact CD1-CB 3.74Å; I68-F97 HydrophobicContact CD1-CD2 4.07Å; I68-F97 HydrophobicContact CD1-CG 3.88Å; I68-F97 HydrophobicContact CG2-CD1 3.64Å; I68-F97 HydrophobicContact CG2-CD2 4.09Å; I68-F97 HydrophobicContact CG2-CE1 3.61Å; I68-F97 HydrophobicContact CG2-CE2 4.07Å; I68-F97 HydrophobicContact CG2-CG 3.9Å; I68-F97 HydrophobicContact CG2-CZ 3.84Å; M72-F97 HydrophobicContact CE-CE1 3.8Å; M72-F97 HydrophobicContact CE-CZ 3.56Å; M72-F97 HydrophobicContact SD-CE1 3.59Å; M72-F97 VanDerWaalsContact SD-CE1 3.59Å; M72-F97 HydrophobicContact SD-CZ 3.97Å; N93-F97 WeakPolarHBondContact O-CB 3.47Å; N93-F97 PolarHBondContact O-N 3.46Å; A94-F97 PolarHBondContact O-N 3.45Å; F97-K99 VanDerWaalsContact C-N 3.29Å; F97-K99 PolarHBondContact O-N 2.97Å; F97-I100 WeakPolarHBondContact O-CB 3.47Å; F97-I100 PolarHBondContact O-N 3.03Å; F97-I100 VanDerWaalsContact O-N 3.16Å; F97-V101 HydrophobicContact CD1-CG2 3.71Å; F97-V101 HydrophobicContact CE1-CG2 3.5Å; F97-V101 VanDerWaalsContact CE1-CG2 3.5Å; F97-V101 WeakPolarHBondContact O-CG2 3.38Å; F97-V101 PolarHBondContact O-N 2.91Å; F97-F111 HydrophobicContact CD1-CE2 4.4Å; F97-F111 HydrophobicContact CD1-CZ 4.07Å; F97-F111 HydrophobicContact CE1-CE2 4.28Å; F97-F111 HydrophobicContact CE1-CZ 4.39Å
98A98Very high97.1Very high25 Ų2579.1 Ų79.121%0.20741%0.413CS..Hα-helixtrans-63.4-32.7178.700000113.1A94 I95 A96 V101 D102 F111 L113A94-A98 WeakPolarHBondContact O-CB 3.23Å; A94-A98 PolarHBondContact O-N 2.9Å; I95-A98 PolarHBondContact O-N 3.01Å; A96-A98 VanDerWaalsContact C-N 3.34Å; A96-A98 PolarHBondContact O-N 2.93Å; A98-V101 PolarHBondContact O-N 3.4Å; A98-D102 PolarHBondContact O-N 3.14Å; A98-F111 HydrophobicContact CB-CE1 4.03Å; A98-L113 HydrophobicContact CB-CB 4.26Å; A98-L113 HydrophobicContact CB-CD2 3.79Å
99K98.1Very high97.1Very high134 Ų13477.2 Ų77.258%0.58341%0.414SS*.Hα-helixtrans-64.8-44172.6-69.9176.1177.9-177.10111.6I95 A96 F97 V101 D102 E103I95-K99 WeakPolarHBondContact O-CG 3.29Å; I95-K99 PolarHBondContact O-N 3.11Å; I95-K99 VanDerWaalsContact O-N 3.12Å; A96-K99 WeakPolarHBondContact O-CB 3.35Å; A96-K99 PolarHBondContact O-N 2.78Å; F97-K99 VanDerWaalsContact C-N 3.29Å; F97-K99 PolarHBondContact O-N 2.97Å; K99-V101 VanDerWaalsContact C-N 3.29Å; K99-V101 PolarHBondContact O-N 2.97Å; K99-D102 PolarHBondContact O-N 3.31Å; K99-E103 WeakPolarHBondContact O-CG 3.2Å; K99-E103 PolarHBondContact O-N 2.85Å
100I97.2Very high97.2Very high80 Ų8073.7 Ų73.741%0.4140%0.401SS..Hα-helixtrans-59.4-43.8175.3-63.3166.3000110.2F65 A96 F97 D102 E103 I104F65-I100 HydrophobicContact CZ-CD1 4.43Å; A96-I100 PolarHBondContact O-N 2.91Å; F97-I100 WeakPolarHBondContact O-CB 3.47Å; F97-I100 PolarHBondContact O-N 3.03Å; F97-I100 VanDerWaalsContact O-N 3.16Å; I100-D102 PolarHBondContact O-N 2.89Å; I100-E103 PolarHBondContact O-N 2.87Å; I100-I104 HydrophobicContact CG2-CD1 3.87Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.27Å; I100-I104 PolarHBondContact O-N 3.23Å
101V97.2Very high97.3Very high17 Ų1773.6 Ų73.610%0.10340%0.398CS..Hα-helixtrans-62.1-41177.1171.30000112.4M72 F97 A98 K99 I104 G105 L106 F111M72-V101 HydrophobicContact SD-CG2 4.46Å; F97-V101 HydrophobicContact CD1-CG2 3.71Å; F97-V101 HydrophobicContact CE1-CG2 3.5Å; F97-V101 VanDerWaalsContact CE1-CG2 3.5Å; F97-V101 WeakPolarHBondContact O-CG2 3.38Å; F97-V101 PolarHBondContact O-N 2.91Å; A98-V101 PolarHBondContact O-N 3.4Å; K99-V101 VanDerWaalsContact C-N 3.29Å; K99-V101 PolarHBondContact O-N 2.97Å; V101-I104 PolarHBondContact O-N 2.85Å; V101-G105 PolarHBondContact O-N 3.41Å; V101-L106 HydrophobicContact CG1-CB 4.25Å; V101-L106 HydrophobicContact CG1-CD1 3.71Å; V101-L106 HydrophobicContact CG1-CG 4.16Å; V101-F111 HydrophobicContact CB-CD1 4.28Å; V101-F111 HydrophobicContact CG1-CB 3.99Å; V101-F111 HydrophobicContact CG1-CD1 3.85Å; V101-F111 HydrophobicContact CG1-CG 4.07Å; V101-F111 HydrophobicContact CG2-CD1 4.33Å; V101-F111 HydrophobicContact CG2-CE1 4.45Å
102D96.7Very high97.4Very high136 Ų13674.8 Ų74.873%0.72740%0.403SS*.Hα-helixtrans-64.7-43.1176.4-170.360.7000111.4A98 K99 I100 I104 G105A98-D102 PolarHBondContact O-N 3.14Å; K99-D102 PolarHBondContact O-N 3.31Å; I100-D102 PolarHBondContact O-N 2.89Å; D102-I104 VanDerWaalsContact C-N 3.34Å; D102-I104 PolarHBondContact O-N 2.83Å; D102-G105 PolarHBondContact O-N 2.94Å
103E98Very high97.4Very high156 Ų15671.1 Ų71.173%0.72938%0.383SS*.Hα-helixtrans-62.1-37.2176.9-73.7171.6-163.500113K99 I100 G105K99-E103 WeakPolarHBondContact O-CG 3.2Å; K99-E103 PolarHBondContact O-N 2.85Å; I100-E103 PolarHBondContact O-N 2.87Å; E103-G105 PolarHBondContact O-N 3.18Å
104I96.4Very high97.6Very high124 Ų12472.1 Ų72.164%0.63639%0.39SS*.Hα-helixtrans-68.6-22.7175.6-67.6164.4000111.5I100 V101 D102I100-I104 HydrophobicContact CG2-CD1 3.87Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.27Å; I100-I104 PolarHBondContact O-N 3.23Å; V101-I104 PolarHBondContact O-N 2.85Å; D102-I104 VanDerWaalsContact C-N 3.34Å; D102-I104 PolarHBondContact O-N 2.83Å
105G96.1Very high97.6Very high56 Ų5676.1 Ų76.158%0.57741%0.411SS*.THydrogen-bonded Turntrans77.838.1176.500000114V101 D102 E103V101-G105 PolarHBondContact O-N 3.41Å; D102-G105 PolarHBondContact O-N 2.94Å; E103-G105 PolarHBondContact O-N 3.18Å
106L95.4Very high97.6Very high65 Ų6574.4 Ų74.434%0.3441%0.408SS..PPolyproline II helixtrans-55.7143.6169.7-76.7-171.9000110.7L76 V101 R108 V110 F111L76-L106 HydrophobicContact CD1-CD1 3.81Å; V101-L106 HydrophobicContact CG1-CB 4.25Å; V101-L106 HydrophobicContact CG1-CD1 3.71Å; V101-L106 HydrophobicContact CG1-CG 4.16Å; L106-R108 PolarHBondContact O-N 3.44Å; L106-V110 HydrophobicContact CD1-CG1 4.29Å; L106-F111 HydrophobicContact CD1-CB 4.33Å
107P97.6Very high97.5Very high90 Ų9079.3 Ų79.358%0.58442%0.417SS*.PPolyproline II helixtrans-55.4141.7176.2-2331.5000111.9G109 V110P107-G109 PolarHBondContact O-N 2.87Å; P107-V110 HydrophobicContact CB-CG2 3.82Å; P107-V110 HydrophobicContact CG-CG2 4.23Å; P107-V110 VanDerWaalsContact O-CB 3.28Å; P107-V110 WeakPolarHBondContact O-CB 3.49Å; P107-V110 VanDerWaalsContact O-CG2 3.26Å; P107-V110 WeakPolarHBondContact O-CG2 3.4Å; P107-V110 PolarHBondContact O-N 3.47Å; P107-V110 VanDerWaalsContact O-N 3.15Å
108R96.8Very high97.3Very high254 Ų25480.1 Ų80.196%0.95843%0.429SS*.THydrogen-bonded Turntrans-54.6132.8-178-71.3-177.3172.3165-1.5111.5L106 V110L106-R108 PolarHBondContact O-N 3.44Å; R108-V110 VanDerWaalsContact C-N 3.31Å; R108-V110 PolarHBondContact O-N 3.25Å
109G97.1Very high97.2Very high36 Ų3684.4 Ų84.437%0.37145%0.445SS..THydrogen-bonded Turntrans85.1-6.2177.700000115.1P107 N112P107-G109 PolarHBondContact O-N 2.87Å; G109-N112 PolarHBondContact O-ND2 2.7Å
110V98.3Very high97.1Very high34 Ų3482.1 Ų82.121%0.20644%0.442CS..SBendtrans-67-47.7175.2170.90000111.1L76 T81 I82 L106 P107 R108L76-V110 HydrophobicContact CD1-CG1 4.08Å; L76-V110 HydrophobicContact CD2-CG1 3.5Å; L76-V110 HydrophobicContact CG-CG1 4.37Å; T81-V110 WeakPolarHBondContact CA-O 3.21Å; I82-V110 PolarHBondContact N-O 2.86Å; L106-V110 HydrophobicContact CD1-CG1 4.29Å; P107-V110 HydrophobicContact CB-CG2 3.82Å; P107-V110 HydrophobicContact CG-CG2 4.23Å; P107-V110 VanDerWaalsContact O-CB 3.28Å; P107-V110 WeakPolarHBondContact O-CB 3.49Å; P107-V110 VanDerWaalsContact O-CG2 3.26Å; P107-V110 WeakPolarHBondContact O-CG2 3.4Å; P107-V110 PolarHBondContact O-N 3.47Å; P107-V110 VanDerWaalsContact O-N 3.15Å; R108-V110 VanDerWaalsContact C-N 3.31Å; R108-V110 PolarHBondContact O-N 3.25Å
111F98.6Very high97.1Very high24 Ų2479.7 Ų79.711%0.10543%0.431CS..EExtended strand (participates in β ladder)trans-117.9135171.1174.9-90.4000109.2I68 M72 I82 I84 F97 A98 V101 L106 L113I68-F111 HydrophobicContact CG2-CE2 4.07Å; I68-F111 HydrophobicContact CG2-CZ 4.34Å; M72-F111 HydrophobicContact CG-CD2 3.9Å; M72-F111 HydrophobicContact CG-CE2 4.31Å; M72-F111 HydrophobicContact SD-CD2 3.49Å; M72-F111 WeakPolarHBondContact SD-CD2 3.21Å; M72-F111 HydrophobicContact SD-CE2 3.77Å; M72-F111 HydrophobicContact SD-CG 4.37Å; I82-F111 HydrophobicContact CG2-CD2 3.94Å; I84-F111 HydrophobicContact CB-CE2 4.31Å; I84-F111 HydrophobicContact CB-CZ 4.44Å; I84-F111 HydrophobicContact CG1-CD2 4.37Å; I84-F111 HydrophobicContact CG1-CE2 3.63Å; I84-F111 HydrophobicContact CG1-CZ 4.23Å; F97-F111 HydrophobicContact CD1-CE2 4.4Å; F97-F111 HydrophobicContact CD1-CZ 4.07Å; F97-F111 HydrophobicContact CE1-CE2 4.28Å; F97-F111 HydrophobicContact CE1-CZ 4.39Å; A98-F111 HydrophobicContact CB-CE1 4.03Å; V101-F111 HydrophobicContact CB-CD1 4.28Å; V101-F111 HydrophobicContact CG1-CB 3.99Å; V101-F111 HydrophobicContact CG1-CD1 3.85Å; V101-F111 HydrophobicContact CG1-CG 4.07Å; V101-F111 HydrophobicContact CG2-CD1 4.33Å; V101-F111 HydrophobicContact CG2-CE1 4.45Å; L106-F111 HydrophobicContact CD1-CB 4.33Å; F111-L113 HydrophobicContact CE1-CB 4.17Å
112N98.7Very high97.1Very high57 Ų5778.9 Ų78.931%0.30543%0.426SS..EExtended strand (participates in β ladder)trans-136.1128.4-179.9-51-94.2000109.1I82 V83 I84 G109I82-N112 PolarHBondContact O-N 3.32Å; I82-N112 PolarHBondContact O-ND2 2.88Å; I82-N112 VanDerWaalsContact O-ND2 3.12Å; V83-N112 CarbonylContact C-O 3.54Å; V83-N112 WeakPolarHBondContact CA-O 3.31Å; V83-N112 HydrophobicContact CB-CB 4.46Å; V83-N112 HydrophobicContact CG1-CB 4.26Å; V83-N112 HydrophobicContact CG2-CB 4.19Å; I84-N112 PolarHBondContact N-O 3.09Å; G109-N112 PolarHBondContact O-ND2 2.7Å
113L98.6Very high97.2Very high48 Ų4874.8 Ų74.825%0.25140%0.403SS..EExtended strand (participates in β ladder)trans-102.9123.8173.2179.467.5000109.5I84 P86 A94 I95 A98 F111 L115I84-L113 HydrophobicContact CB-CD1 4.45Å; I84-L113 HydrophobicContact CG2-CD1 4.19Å; P86-L113 HydrophobicContact CG-CD1 3.99Å; A94-L113 HydrophobicContact CB-CD1 3.9Å; A94-L113 HydrophobicContact CB-CD2 4.4Å; A94-L113 WeakPolarHBondContact O-CD2 3.38Å; I95-L113 HydrophobicContact CG1-CD2 4.15Å; A98-L113 HydrophobicContact CB-CB 4.26Å; A98-L113 HydrophobicContact CB-CD2 3.79Å; F111-L113 HydrophobicContact CE1-CB 4.17Å; L113-L115 HydrophobicContact CD1-CD2 4.17Å; L113-L115 HydrophobicContact CD2-CD2 4.16Å; L113-L115 HydrophobicContact CG-CD2 4.08Å
114V98.3Very high97.2Very high59 Ų5972.6 Ų72.636%0.35839%0.392SS..  trans-124.6119.7174.6-173.90000109.4V83 I84 K85 V121V83-V114 HydrophobicContact CG1-CB 4.33Å; V83-V114 HydrophobicContact CG1-CG2 3.66Å; I84-V114 PolarHBondContact O-N 3.45Å; K85-V114 WeakPolarHBondContact CA-O 3.28Å; K85-V114 WeakPolarHBondContact CG-O 3.32Å; V114-V121 HydrophobicContact CB-CG1 4.24Å; V114-V121 HydrophobicContact CG1-CG1 3.67Å; V114-V121 HydrophobicContact CG1-CG2 4.38Å
115L98.4Very high97.3Very high86 Ų8667.5 Ų67.545%0.4537%0.367SS..  trans-90.1141.2179.5-54.6-178.5000110.6P86 P91 I95 L113P86-L115 HydrophobicContact CG-CD2 3.51Å; P91-L115 HydrophobicContact CB-CD2 4.26Å; I95-L115 HydrophobicContact CD1-CD1 3.94Å; I95-L115 HydrophobicContact CG1-CD1 4.19Å; L113-L115 HydrophobicContact CD1-CD2 4.17Å; L113-L115 HydrophobicContact CD2-CD2 4.16Å; L113-L115 HydrophobicContact CG-CD2 4.08Å
116G97.3Very high97.4Very high24 Ų2464.9 Ų64.925%0.24734%0.339CS..  trans158.9177.7173.200000113.2K85K85-G116 PolarHBondContact NZ-O 2.84Å
117R96.5Very high97.5Very high148 Ų14862.9 Ų62.956%0.55834%0.335SS*.  trans-75.2159.6-176.7-60.7178.168.3127.85111.8E119 T120 V121 G122R117-E119 VanDerWaalsContact C-N 3.33Å; R117-E119 WeakPolarHBondContact CB-OE2 3.42Å; R117-E119 IonicContact CZ-OE2 3.14Å; R117-E119 IonicContact NE-OE2 3.86Å; R117-E119 PolarHBondContact NE-OE2 2.94Å; R117-E119 IonicContact NH2-OE2 2.71Å; R117-E119 PolarHBondContact O-N 2.7Å; R117-T120 PolarHBondContact O-N 3.31Å; R117-V121 PolarHBondContact O-N 2.95Å; R117-G122 PolarHBondContact O-N 2.88Å
118G94.4Very high97.5Very high29 Ų2960.6 Ų60.630%0.29932%0.318SS..Iπ-helixtrans-59.6-41.7174.100000112.8T120 G122 Q123G118-T120 VanDerWaalsContact C-N 3.25Å; G118-T120 PolarHBondContact O-N 3.11Å; G118-G122 CarbonylContact O-C 3.55Å; G118-G122 VanDerWaalsContact O-CA 3.28Å; G118-G122 WeakPolarHBondContact O-CA 3.29Å; G118-G122 PolarHBondContact O-N 2.89Å; G118-Q123 PolarHBondContact O-N 2.91Å
119E94.7Very high97.6Very high115 Ų11553.3 Ų53.354%0.53730%0.303SS..Iπ-helixtrans-69.8-21.2-175.3-55.483.9-168.800113.9R117R117-E119 VanDerWaalsContact C-N 3.33Å; R117-E119 WeakPolarHBondContact CB-OE2 3.42Å; R117-E119 IonicContact CZ-OE2 3.14Å; R117-E119 IonicContact NE-OE2 3.86Å; R117-E119 PolarHBondContact NE-OE2 2.94Å; R117-E119 IonicContact NH2-OE2 2.71Å; R117-E119 PolarHBondContact O-N 2.7Å
120T96.2Very high97.7Very high87 Ų8759.7 Ų59.753%0.53432%0.32SS..Iπ-helixtrans-106.6-75.6-179.754.90000110.5R117 G118 Q123 E124R117-T120 PolarHBondContact O-N 3.31Å; G118-T120 VanDerWaalsContact C-N 3.25Å; G118-T120 PolarHBondContact O-N 3.11Å; T120-Q123 PolarHBondContact O-N 2.82Å; T120-E124 WeakPolarHBondContact O-CB 3.35Å; T120-E124 PolarHBondContact O-N 3.24Å
121V98Very high97.7Very high28 Ų2858.6 Ų58.617%0.1731%0.314CS..Iπ-helixtrans-68.5-42.4-175.4178.50000111.1K85 V114 R117 Q123 E124 L125K85-V121 HydrophobicContact CB-CG1 4.37Å; K85-V121 HydrophobicContact CD-CB 4.14Å; K85-V121 HydrophobicContact CD-CG1 4.05Å; K85-V121 HydrophobicContact CG-CB 4.33Å; K85-V121 HydrophobicContact CG-CG1 3.8Å; V114-V121 HydrophobicContact CB-CG1 4.24Å; V114-V121 HydrophobicContact CG1-CG1 3.67Å; V114-V121 HydrophobicContact CG1-CG2 4.38Å; R117-V121 PolarHBondContact O-N 2.95Å; V121-Q123 PolarHBondContact O-N 2.78Å; V121-E124 PolarHBondContact O-N 3.12Å; V121-L125 HydrophobicContact CG1-CD1 4.16Å; V121-L125 HydrophobicContact CG1-CG 4.37Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.46Å; V121-L125 PolarHBondContact O-N 2.86Å
122G97.5Very high97.7Very high1 Ų159 Ų591%0.0132%0.321CS..Iπ-helixtrans-61.4-43178.800000112.7R117 G118 L125 A126R117-G122 PolarHBondContact O-N 2.88Å; G118-G122 CarbonylContact O-C 3.55Å; G118-G122 VanDerWaalsContact O-CA 3.28Å; G118-G122 WeakPolarHBondContact O-CA 3.29Å; G118-G122 PolarHBondContact O-N 2.89Å; G122-L125 PolarHBondContact O-N 3.04Å; G122-A126 PolarHBondContact O-N 3.5Å
123Q97.7Very high97.7Very high49 Ų4956.2 Ų56.223%0.22931%0.307CS..Hα-helixtrans-69.8-37.2177-70.6-60.3-50.600113G118 T120 V121 A126 G127 T149G118-Q123 PolarHBondContact O-N 2.91Å; T120-Q123 PolarHBondContact O-N 2.82Å; V121-Q123 PolarHBondContact O-N 2.78Å; Q123-A126 PolarHBondContact O-N 2.85Å; Q123-G127 PolarHBondContact O-N 3.34Å; Q123-T149 PolarHBondContact OE1-OG1 3.47Å
124E98.4Very high97.7Very high110 Ų11054 Ų5451%0.51430%0.295SS..Hα-helixtrans-60.7-49.3172.1176.155.9-150.300110.7T120 V121 A126 G127 N128T120-E124 WeakPolarHBondContact O-CB 3.35Å; T120-E124 PolarHBondContact O-N 3.24Å; V121-E124 PolarHBondContact O-N 3.12Å; E124-A126 PolarHBondContact O-N 2.98Å; E124-G127 PolarHBondContact O-N 3.27Å; E124-G127 VanDerWaalsContact O-N 3.14Å; E124-N128 VanDerWaalsContact O-CB 3.23Å; E124-N128 WeakPolarHBondContact O-CB 3.19Å; E124-N128 PolarHBondContact O-N 3.09Å; E124-N128 PolarHBondContact OE1-ND2 3.41Å
125L98.3Very high97.7Very high18 Ų1851.3 Ų51.39%0.09428%0.279CS..Hα-helixtrans-59.4-35.2177.5-67.6178000112.5T56 I58 V83 K85 V121 G122T56-L125 HydrophobicContact CG2-CB 4.16Å; T56-L125 HydrophobicContact CG2-CD2 3.95Å; T56-L125 HydrophobicContact CG2-CG 4.46Å; I58-L125 HydrophobicContact CG1-CD1 4.39Å; V83-L125 HydrophobicContact CB-CD2 4.13Å; V83-L125 HydrophobicContact CG1-CD1 4.41Å; V83-L125 HydrophobicContact CG1-CD2 3.79Å; K85-L125 HydrophobicContact CB-CD1 3.79Å; V121-L125 HydrophobicContact CG1-CD1 4.16Å; V121-L125 HydrophobicContact CG1-CG 4.37Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.46Å; V121-L125 PolarHBondContact O-N 2.86Å; G122-L125 PolarHBondContact O-N 3.04Å
126A98.3Very high97.7Very high0 Ų047.7 Ų47.70%026%0.26CS..Hα-helixtrans-75.3-33.9176.500000114G122 Q123 E124 V134 I146 T149 A150G122-A126 PolarHBondContact O-N 3.5Å; Q123-A126 PolarHBondContact O-N 2.85Å; E124-A126 PolarHBondContact O-N 2.98Å; A126-V134 HydrophobicContact CB-CG2 4.38Å; A126-I146 HydrophobicContact CB-CD1 3.62Å; A126-I146 HydrophobicContact CB-CG2 4.1Å; A126-T149 HydrophobicContact CB-CG2 3.92Å; A126-A150 WeakPolarHBondContact O-CA 3.49Å
127G98.2Very high97.8Very high24 Ų2447.2 Ų47.225%0.24725%0.252CS..Hα-helixtrans-96.9-6.7-172.700000114.5Q123 E124 T149 N153Q123-G127 PolarHBondContact O-N 3.34Å; E124-G127 PolarHBondContact O-N 3.27Å; E124-G127 VanDerWaalsContact O-N 3.14Å; G127-T149 VanDerWaalsContact CA-CG2 3.42Å; G127-N153 PolarHBondContact O-ND2 3Å
128N98.4Very high97.8Very high42 Ų4241.2 Ų41.223%0.22524%0.236CC..  trans-75.3123.3-176.1-167-58.5000111.1E124 K130 V131E124-N128 VanDerWaalsContact O-CB 3.23Å; E124-N128 WeakPolarHBondContact O-CB 3.19Å; E124-N128 PolarHBondContact O-N 3.09Å; E124-N128 PolarHBondContact OE1-ND2 3.41Å; N128-K130 PolarHBondContact O-N 2.75Å; N128-K130 VanDerWaalsContact OD1-CB 3.31Å; N128-K130 WeakPolarHBondContact OD1-CB 3.4Å; N128-K130 PolarHBondContact OD1-N 2.82Å; N128-V131 HydrophobicContact CB-CG2 4.05Å; N128-V131 PolarHBondContact O-N 3.27Å
129P98.3Very high97.9Very high100 Ų10042.4 Ų42.465%0.64924%0.24SC*.THydrogen-bonded Turntrans-67.5-10.1-176.528-36.3000114.1
130K98.3Very high98.1Very high170 Ų17037.8 Ų37.874%0.73922%0.22SC*.THydrogen-bonded Turntrans-86.3-12174.7-59.4179.4179.8177.60112.9N128N128-K130 PolarHBondContact O-N 2.75Å; N128-K130 VanDerWaalsContact OD1-CB 3.31Å; N128-K130 WeakPolarHBondContact OD1-CB 3.4Å; N128-K130 PolarHBondContact OD1-N 2.82Å
131V98.6Very high98.1Very high11 Ų1136.7 Ų36.77%0.06722%0.216CC..  trans-84.9120178.7172.60000109.3V54 T56 N128 M133 V134 T155V54-V131 HydrophobicContact CG1-CG2 4.41Å; T56-V131 HydrophobicContact CG2-CB 4.32Å; T56-V131 HydrophobicContact CG2-CG1 3.62Å; T56-V131 HydrophobicContact CG2-CG2 3.67Å; N128-V131 HydrophobicContact CB-CG2 4.05Å; N128-V131 PolarHBondContact O-N 3.27Å; V131-M133 VanDerWaalsContact CG1-O 3.23Å; V131-M133 WeakPolarHBondContact CG1-O 3.37Å; V131-V134 HydrophobicContact CG1-CG2 3.95Å; V131-T155 HydrophobicContact CG1-CG2 4.08Å; V131-T155 VanDerWaalsContact O-CG2 3.31Å; V131-T155 WeakPolarHBondContact O-CG2 3.42Å; V131-T155 PolarHBondContact O-OG1 2.87Å
132A98.6Very high98.1Very high32 Ų3236.8 Ų36.826%0.26422%0.22SC..SBendtrans-82.5-30.1178.300000112.3L52 V54 K156L52-A132 HydrophobicContact CB-CB 3.88Å; L52-A132 WeakPolarHBondContact O-CB 3.35Å; V54-A132 WeakPolarHBondContact O-CB 3.17Å; V54-A132 PolarHBondContact O-N 3.41Å; A132-K156 WeakPolarHBondContact O-CB 3.16Å; A132-K156 PolarHBondContact O-N 3.17Å
133M98.7Very high98.1Very high0 Ų036.8 Ų36.80%022%0.22CC..EExtended strand (participates in β ladder)trans-146.9139.6179.9-174.6-171.7174.700113L52 T55 T56 V131 K156 C158 E377 Y378L52-M133 HydrophobicContact CD1-CB 3.8Å; L52-M133 HydrophobicContact CD1-CG 4.21Å; L52-M133 HydrophobicContact CD1-SD 3.66Å; T55-M133 CarbonylContact C-O 3.58Å; T55-M133 WeakPolarHBondContact CA-O 3.32Å; T55-M133 HydrophobicContact CG2-CB 3.95Å; T55-M133 HydrophobicContact CG2-SD 4.48Å; T56-M133 PolarHBondContact N-O 3.09Å; T56-M133 PolarHBondContact OG1-O 2.89Å; V131-M133 VanDerWaalsContact CG1-O 3.23Å; V131-M133 WeakPolarHBondContact CG1-O 3.37Å; M133-K156 CarbonylContact C-O 3.48Å; M133-K156 VanDerWaalsContact CA-O 3.26Å; M133-K156 WeakPolarHBondContact CA-O 3.15Å; M133-K156 HydrophobicContact CB-CB 4.32Å; M133-K156 HydrophobicContact CG-CB 4.27Å; M133-K156 HydrophobicContact CG-CD 4.49Å; M133-K156 HydrophobicContact CG-CG 4.36Å; M133-C158 HydrophobicContact CE-CB 3.35Å; M133-E377 HydrophobicContact CE-CB 3.93Å; M133-Y378 HydrophobicContact CE-CD1 4.49Å; M133-Y378 HydrophobicContact CE-CE1 4.26Å; M133-Y378 HydrophobicContact CE-CE2 4.28Å; M133-Y378 HydrophobicContact SD-CD1 3.9Å; M133-Y378 HydrophobicContact SD-CE1 4.01Å; M133-Y378 HydrophobicContact SD-CG 4.31Å
134V98.7Very high98.1Very high0 Ų039.7 Ų39.70%023%0.233CC..EExtended strand (participates in β ladder)trans-113107.7169.3-173.50000109.4T56 I58 A126 V131 I146 T155 K156 V157 C158T56-V134 WeakPolarHBondContact OG1-CA 3.43Å; I58-V134 HydrophobicContact CD1-CG1 3.97Å; A126-V134 HydrophobicContact CB-CG2 4.38Å; V131-V134 HydrophobicContact CG1-CG2 3.95Å; V134-I146 HydrophobicContact CB-CG2 4.33Å; V134-I146 HydrophobicContact CG1-CG2 3.65Å; V134-T155 HydrophobicContact CG2-CG2 3.82Å; V134-K156 PolarHBondContact N-O 2.95Å; V134-V157 WeakPolarHBondContact O-CA 3.12Å; V134-C158 PolarHBondContact O-N 3.01Å
135S98.6Very high98.1Very high4 Ų440.3 Ų40.33%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-95.4117.2168.9-178.60000109.1T56 G57 I58 K71 C158 Y378T56-S135 WeakPolarHBondContact O-CB 3.45Å; T56-S135 PolarHBondContact O-N 3.39Å; G57-S135 CarbonylContact C-O 3.51Å; G57-S135 VanDerWaalsContact CA-O 3.25Å; G57-S135 WeakPolarHBondContact CA-O 3.48Å; I58-S135 PolarHBondContact N-O 2.84Å; K71-S135 WeakPolarHBondContact CD-OG 2.96Å; K71-S135 PolarHBondContact NZ-OG 3.28Å; S135-C158 CarbonylContact C-O 3.39Å; S135-C158 VanDerWaalsContact CA-O 3.28Å; S135-C158 WeakPolarHBondContact CA-O 3.4Å; S135-Y378 PolarHBondContact OG-OH 3.42Å
136M98.2Very high98.1Very high9 Ų939.8 Ų39.84%0.04423%0.232CC..EExtended strand (participates in β ladder)trans-127.1136.7-177.1-177.9-90.4176.700110.1I58 A142 I146 C158 L159 E160 L161I58-M136 HydrophobicContact CB-CB 4.07Å; I58-M136 HydrophobicContact CB-CG 3.8Å; I58-M136 HydrophobicContact CG2-CG 3.86Å; I58-M136 WeakPolarHBondContact O-CA 3.38Å; M136-A142 HydrophobicContact CE-CB 3.54Å; M136-I146 HydrophobicContact CG-CG1 4.49Å; M136-C158 PolarHBondContact N-O 3.44Å; M136-L159 HydrophobicContact CB-CD2 4Å; M136-E160 PolarHBondContact O-N 3.12Å; M136-L161 HydrophobicContact SD-CD2 3.85Å
137T98.5Very high98.1Very high14 Ų1444.1 Ų44.19%0.08625%0.253CS..EExtended strand (participates in β ladder)trans-117.7130.1166.4-54.80000108.8I58 P60 L67 K71 E160I58-T137 PolarHBondContact O-N 2.9Å; P60-T137 WeakPolarHBondContact CD-O 3.25Å; P60-T137 HydrophobicContact CG-CG2 3.85Å; L67-T137 HydrophobicContact CD1-CG2 4.22Å; K71-T137 WeakPolarHBondContact CE-OG1 3.38Å; K71-T137 PolarHBondContact NZ-OG1 2.65Å; T137-E160 CarbonylContact C-O 3.46Å; T137-E160 VanDerWaalsContact CA-O 3.23Å; T137-E160 WeakPolarHBondContact CA-O 3.45Å; T137-E160 HydrophobicContact CG2-CB 3.85Å; T137-E160 WeakPolarHBondContact OG1-CB 3.44Å
138G97.2Very high98.1Very high22 Ų2246.1 Ų46.123%0.22727%0.267CS..SBendtrans160.3-149.8177.600000114.3E160 L161 G162G138-E160 PolarHBondContact N-O 3.26Å; G138-L161 VanDerWaalsContact O-CA 3.29Å; G138-L161 WeakPolarHBondContact O-CA 3.35Å; G138-G162 PolarHBondContact O-N 3.05Å
139S96.9Very high98.1Very high54 Ų5445.2 Ų45.238%0.37826%0.263SS..  trans-75.3153.5-173.668.40000112.9S141 A142 G143S139-S141 VanDerWaalsContact C-N 3.27Å; S139-S141 PolarHBondContact O-N 3.43Å; S139-S141 PolarHBondContact OG-OG 2.97Å; S139-A142 PolarHBondContact O-N 3.49Å; S139-A142 WeakPolarHBondContact OG-CB 3.47Å; S139-A142 PolarHBondContact OG-N 3.31Å; S139-G143 PolarHBondContact O-N 3.31Å
140V97.8Very high98.1Very high18 Ų1840.5 Ų40.511%0.10923%0.232CC..Hα-helixtrans-51.1-48.1172.6178.30000111.5A142 G143 E144 L161 Y318 K363V140-A142 VanDerWaalsContact C-N 3.26Å; V140-A142 PolarHBondContact O-N 3.37Å; V140-G143 WeakPolarHBondContact O-CA 3.36Å; V140-G143 PolarHBondContact O-N 2.94Å; V140-G143 VanDerWaalsContact O-N 3.09Å; V140-E144 HydrophobicContact CG1-CG 4.31Å; V140-E144 WeakPolarHBondContact O-CG 3.45Å; V140-E144 PolarHBondContact O-N 3.44Å; V140-L161 HydrophobicContact CG2-CB 4.29Å; V140-Y318 HydrophobicContact CG2-CD1 4.43Å; V140-Y318 HydrophobicContact CG2-CE1 3.67Å; V140-K363 HydrophobicContact CG1-CB 4.18Å; V140-K363 HydrophobicContact CG1-CD 4.14Å; V140-K363 HydrophobicContact CG1-CG 4.49Å; V140-K363 HydrophobicContact CG2-CB 4.3Å; V140-K363 WeakPolarHBondContact CG2-O 3.37Å
141S97Very high98.1Very high64 Ų6435.2 Ų35.245%0.44822%0.221SC..Hα-helixtrans-61.9-30.4179.858.90000113.9S139 K145S139-S141 VanDerWaalsContact C-N 3.27Å; S139-S141 PolarHBondContact O-N 3.43Å; S139-S141 PolarHBondContact OG-OG 2.97Å; S141-K145 VanDerWaalsContact O-CG 3.31Å; S141-K145 WeakPolarHBondContact O-CG 3.36Å; S141-K145 PolarHBondContact O-N 3.03Å
142A97.4Very high98.1Very high31 Ų3142.7 Ų42.726%0.25625%0.252SS..Hα-helixtrans-77-42.4173.800000110.6M136 S139 V140 E144 K145 I146M136-A142 HydrophobicContact CE-CB 3.54Å; S139-A142 PolarHBondContact O-N 3.49Å; S139-A142 WeakPolarHBondContact OG-CB 3.47Å; S139-A142 PolarHBondContact OG-N 3.31Å; V140-A142 VanDerWaalsContact C-N 3.26Å; V140-A142 PolarHBondContact O-N 3.37Å; A142-E144 PolarHBondContact O-N 3.5Å; A142-K145 PolarHBondContact O-N 3.44Å; A142-I146 VanDerWaalsContact O-CG1 3.29Å; A142-I146 WeakPolarHBondContact O-CG1 3.42Å; A142-I146 PolarHBondContact O-N 3.2Å
143G98.1Very high98Very high1 Ų144.1 Ų44.11%0.0126%0.255CS..Hα-helixtrans-56.6-45.5174.100000113.1S139 V140 K145 I146 M147S139-G143 PolarHBondContact O-N 3.31Å; V140-G143 WeakPolarHBondContact O-CA 3.36Å; V140-G143 PolarHBondContact O-N 2.94Å; V140-G143 VanDerWaalsContact O-N 3.09Å; G143-K145 PolarHBondContact O-N 3.35Å; G143-I146 PolarHBondContact O-N 3.44Å; G143-M147 WeakPolarHBondContact O-CB 3.43Å; G143-M147 PolarHBondContact O-N 3.42Å
144E98.1Very high98Very high110 Ų11051.3 Ų51.351%0.51429%0.293SS..Hα-helixtrans-58.1-46176-73.1172.6161.400111.9V140 A142 M147 A148V140-E144 HydrophobicContact CG1-CG 4.31Å; V140-E144 WeakPolarHBondContact O-CG 3.45Å; V140-E144 PolarHBondContact O-N 3.44Å; A142-E144 PolarHBondContact O-N 3.5Å; E144-M147 PolarHBondContact O-N 2.94Å; E144-A148 WeakPolarHBondContact O-CB 3.41Å; E144-A148 PolarHBondContact O-N 3.48Å
145K98.3Very high98Very high123 Ų12352 Ų5254%0.53530%0.297SS..Hα-helixtrans-64-41.8177.1-69.3172.5-174.8179.30111.8S141 A142 G143 T149S141-K145 VanDerWaalsContact O-CG 3.31Å; S141-K145 WeakPolarHBondContact O-CG 3.36Å; S141-K145 PolarHBondContact O-N 3.03Å; A142-K145 PolarHBondContact O-N 3.44Å; G143-K145 PolarHBondContact O-N 3.35Å; K145-T149 WeakPolarHBondContact O-CB 3.4Å; K145-T149 PolarHBondContact O-N 3.29Å; K145-T149 VanDerWaalsContact O-N 3.09Å; K145-T149 PolarHBondContact O-OG1 2.85Å
146I98.4Very high98Very high7 Ų755.2 Ų55.24%0.03631%0.31CS..Hα-helixtrans-63-48.4176.9-69.4-67.7000110.3I58 A126 V134 M136 A142 G143 A148 T149 A150 L159I58-I146 HydrophobicContact CD1-CD1 3.54Å; I58-I146 HydrophobicContact CD1-CG1 4.44Å; A126-I146 HydrophobicContact CB-CD1 3.62Å; A126-I146 HydrophobicContact CB-CG2 4.1Å; V134-I146 HydrophobicContact CB-CG2 4.33Å; V134-I146 HydrophobicContact CG1-CG2 3.65Å; M136-I146 HydrophobicContact CG-CG1 4.49Å; A142-I146 VanDerWaalsContact O-CG1 3.29Å; A142-I146 WeakPolarHBondContact O-CG1 3.42Å; A142-I146 PolarHBondContact O-N 3.2Å; G143-I146 PolarHBondContact O-N 3.44Å; I146-A148 PolarHBondContact O-N 2.98Å; I146-T149 PolarHBondContact O-N 3.26Å; I146-A150 VanDerWaalsContact O-CB 3.27Å; I146-A150 WeakPolarHBondContact O-CB 3.29Å; I146-A150 PolarHBondContact O-N 3.02Å; I146-L159 HydrophobicContact CG2-CD2 4.06Å
147M98.1Very high98Very high90 Ų9055.9 Ų55.944%0.44332%0.315SS..Hα-helixtrans-61.2-44.5179.7-169.7174-176.100111.8G143 E144 T149 A150 A151 V157 L159 I366G143-M147 WeakPolarHBondContact O-CB 3.43Å; G143-M147 PolarHBondContact O-N 3.42Å; E144-M147 PolarHBondContact O-N 2.94Å; M147-T149 VanDerWaalsContact C-N 3.32Å; M147-T149 PolarHBondContact O-N 3.41Å; M147-A150 PolarHBondContact O-N 2.96Å; M147-A151 WeakPolarHBondContact O-CB 3.49Å; M147-A151 PolarHBondContact O-N 2.96Å; M147-V157 HydrophobicContact CG-CG2 4.43Å; M147-L159 HydrophobicContact CB-CD1 4.1Å; M147-L159 HydrophobicContact SD-CD1 4.42Å; M147-I366 HydrophobicContact CE-CD1 4.1Å
148A98.4Very high98Very high67 Ų6755.3 Ų55.355%0.55431%0.311SS*.Hα-helixtrans-61.2-39.7177.100000112.4E144 I146E144-A148 WeakPolarHBondContact O-CB 3.41Å; E144-A148 PolarHBondContact O-N 3.48Å; I146-A148 PolarHBondContact O-N 2.98Å
149T98.4Very high98.1Very high22 Ų2254.5 Ų54.514%0.13530%0.302CS..Hα-helixtrans-73.4-42.4178.1-69.70000112Q123 A126 G127 K145 I146 M147 A151 K152Q123-T149 PolarHBondContact OE1-OG1 3.47Å; A126-T149 HydrophobicContact CB-CG2 3.92Å; G127-T149 VanDerWaalsContact CA-CG2 3.42Å; K145-T149 WeakPolarHBondContact O-CB 3.4Å; K145-T149 PolarHBondContact O-N 3.29Å; K145-T149 VanDerWaalsContact O-N 3.09Å; K145-T149 PolarHBondContact O-OG1 2.85Å; I146-T149 PolarHBondContact O-N 3.26Å; M147-T149 VanDerWaalsContact C-N 3.32Å; M147-T149 PolarHBondContact O-N 3.41Å; T149-A151 VanDerWaalsContact C-N 3.25Å; T149-A151 PolarHBondContact O-N 2.98Å; T149-K152 WeakPolarHBondContact O-CB 3.34Å; T149-K152 PolarHBondContact O-N 2.9Å
150A98.5Very high98.1Very high1 Ų152.2 Ų52.21%0.00829%0.285CS..Hα-helixtrans-62.2-31.5177.500000112.8A126 I146 M147 K152 N153 I154 T155 V157A126-A150 WeakPolarHBondContact O-CA 3.49Å; I146-A150 VanDerWaalsContact O-CB 3.27Å; I146-A150 WeakPolarHBondContact O-CB 3.29Å; I146-A150 PolarHBondContact O-N 3.02Å; M147-A150 PolarHBondContact O-N 2.96Å; A150-K152 PolarHBondContact O-N 3.11Å; A150-K152 VanDerWaalsContact O-N 3.12Å; A150-N153 PolarHBondContact O-N 2.78Å; A150-N153 VanDerWaalsContact O-N 3.09Å; A150-I154 PolarHBondContact O-N 2.9Å; A150-T155 PolarHBondContact O-N 3.01Å; A150-T155 VanDerWaalsContact O-N 3.17Å; A150-V157 HydrophobicContact CB-CG1 3.62Å
151A98.4Very high98.1Very high60 Ų6051.9 Ų51.950%0.49628%0.283SS..G310 helixtrans-57.3-27.517900000113.4M147 T149 N153 I154M147-A151 WeakPolarHBondContact O-CB 3.49Å; M147-A151 PolarHBondContact O-N 2.96Å; T149-A151 VanDerWaalsContact C-N 3.25Å; T149-A151 PolarHBondContact O-N 2.98Å; A151-N153 PolarHBondContact O-N 3.31Å; A151-I154 PolarHBondContact O-N 2.64Å
152K97.3Very high98.1Very high168 Ų16849 Ų4973%0.7326%0.262SS*.G310 helixtrans-59.4-29.7178.1-65.1177.7-176.9173.70113.1T149 A150T149-K152 WeakPolarHBondContact O-CB 3.34Å; T149-K152 PolarHBondContact O-N 2.9Å; A150-K152 PolarHBondContact O-N 3.11Å; A150-K152 VanDerWaalsContact O-N 3.12Å
153N98Very high98Very high61 Ų6147.5 Ų47.533%0.32625%0.25SS..G310 helixtrans-114.72.1-177.4-56.6-44.9000112.9G127 A150 A151 T155G127-N153 PolarHBondContact O-ND2 3Å; A150-N153 PolarHBondContact O-N 2.78Å; A150-N153 VanDerWaalsContact O-N 3.09Å; A151-N153 PolarHBondContact O-N 3.31Å; N153-T155 WeakPolarHBondContact CB-OG1 3.27Å; N153-T155 PolarHBondContact O-N 2.99Å
154I97.9Very high98Very high152 Ų15247.5 Ų47.578%0.77925%0.25SC*.THydrogen-bonded Turntrans54.235.8-168.8-46.5-62.2000110.6A150 A151 K156A150-I154 PolarHBondContact O-N 2.9Å; A151-I154 PolarHBondContact O-N 2.64Å; I154-K156 PolarHBondContact O-N 3.15Å
155T98.5Very high98Very high15 Ų1542.2 Ų42.29%0.09223%0.226CC..  trans-67.5134177-64.20000109.2V131 V134 A150 N153 V157V131-T155 HydrophobicContact CG1-CG2 4.08Å; V131-T155 VanDerWaalsContact O-CG2 3.31Å; V131-T155 WeakPolarHBondContact O-CG2 3.42Å; V131-T155 PolarHBondContact O-OG1 2.87Å; V134-T155 HydrophobicContact CG2-CG2 3.82Å; A150-T155 PolarHBondContact O-N 3.01Å; A150-T155 VanDerWaalsContact O-N 3.17Å; N153-T155 WeakPolarHBondContact CB-OG1 3.27Å; N153-T155 PolarHBondContact O-N 2.99Å; T155-V157 PolarHBondContact O-N 3.4Å
156K98.5Very high98.1Very high70 Ų7036.4 Ų36.430%0.30420%0.2SC..EExtended strand (participates in β ladder)trans-62.8137.3177.1-172.8177.7-178.5-171.20109.7L52 A132 M133 V134 I154 E377L52-K156 HydrophobicContact CD1-CD 4.24Å; A132-K156 WeakPolarHBondContact O-CB 3.16Å; A132-K156 PolarHBondContact O-N 3.17Å; M133-K156 CarbonylContact C-O 3.48Å; M133-K156 VanDerWaalsContact CA-O 3.26Å; M133-K156 WeakPolarHBondContact CA-O 3.15Å; M133-K156 HydrophobicContact CB-CB 4.32Å; M133-K156 HydrophobicContact CG-CB 4.27Å; M133-K156 HydrophobicContact CG-CD 4.49Å; M133-K156 HydrophobicContact CG-CG 4.36Å; V134-K156 PolarHBondContact N-O 2.95Å; I154-K156 PolarHBondContact O-N 3.15Å; K156-E377 WeakPolarHBondContact CE-OE2 3.3Å; K156-E377 PolarHBondContact NZ-O 2.78Å; K156-E377 IonicContact NZ-OE2 3.97Å; K156-E377 PolarHBondContact NZ-OE2 2.98Å
157V98.4Very high98.1Very high24 Ų2436 Ų3615%0.14520%0.198CC..EExtended strand (participates in β ladder)trans-118.3141.5175-63.30000110.9V134 M147 A150 T155 L159V134-V157 WeakPolarHBondContact O-CA 3.12Å; M147-V157 HydrophobicContact CG-CG2 4.43Å; A150-V157 HydrophobicContact CB-CG1 3.62Å; T155-V157 PolarHBondContact O-N 3.4Å; V157-L159 HydrophobicContact CB-CD1 4.34Å; V157-L159 HydrophobicContact CB-CD2 4.11Å; V157-L159 HydrophobicContact CB-CG 4.02Å; V157-L159 HydrophobicContact CG2-CD1 4.15Å; V157-L159 HydrophobicContact CG2-CG 4.21Å
158C98.4Very high98.1Very high2 Ų231.8 Ų31.81%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-128.5109167.4-177.80000106.6M133 V134 S135 M136 I366 G368M133-C158 HydrophobicContact CE-CB 3.35Å; V134-C158 PolarHBondContact O-N 3.01Å; S135-C158 CarbonylContact C-O 3.39Å; S135-C158 VanDerWaalsContact CA-O 3.28Å; S135-C158 WeakPolarHBondContact CA-O 3.4Å; M136-C158 PolarHBondContact N-O 3.44Å; C158-I366 CarbonylContact C-O 3.48Å; C158-I366 WeakPolarHBondContact CA-O 3.46Å; C158-G368 PolarHBondContact SG-N 2.88Å; C158-G368 PolarHBondContact SG-O 3.35Å
159L98.5Very high98.1Very high5 Ų528.6 Ų28.63%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-118.2106.3-167.3-56.3179.6000108.5M136 I146 M147 V157 L161 G365 I366M136-L159 HydrophobicContact CB-CD2 4Å; I146-L159 HydrophobicContact CG2-CD2 4.06Å; M147-L159 HydrophobicContact CB-CD1 4.1Å; M147-L159 HydrophobicContact SD-CD1 4.42Å; V157-L159 HydrophobicContact CB-CD1 4.34Å; V157-L159 HydrophobicContact CB-CD2 4.11Å; V157-L159 HydrophobicContact CB-CG 4.02Å; V157-L159 HydrophobicContact CG2-CD1 4.15Å; V157-L159 HydrophobicContact CG2-CG 4.21Å; L159-L161 HydrophobicContact CB-CD1 4.05Å; L159-L161 HydrophobicContact CB-CD2 4.09Å; L159-L161 HydrophobicContact CB-CG 3.96Å; L159-G365 WeakPolarHBondContact O-CA 3.26Å; L159-I366 PolarHBondContact N-O 3.02Å; L159-I366 PolarHBondContact O-N 2.78Å
160E98.2Very high98.2Very high5 Ų527.9 Ų27.92%0.02315%0.146CC..EExtended strand (participates in β ladder)trans-93.5101.5172.3-61.2-58.1113.800108.5M136 T137 G138 H358 G368M136-E160 PolarHBondContact O-N 3.12Å; T137-E160 CarbonylContact C-O 3.46Å; T137-E160 VanDerWaalsContact CA-O 3.23Å; T137-E160 WeakPolarHBondContact CA-O 3.45Å; T137-E160 HydrophobicContact CG2-CB 3.85Å; T137-E160 WeakPolarHBondContact OG1-CB 3.44Å; G138-E160 PolarHBondContact N-O 3.26Å; E160-H358 IonicContact OE2-CD2 2.77Å; E160-H358 PolarHBondContact OE2-CD2 3.22Å; E160-H358 IonicContact OE2-CG 3.36Å; E160-H358 IonicContact OE2-NE2 3.59Å; E160-H358 PolarHBondContact OE2-NE2 3.01Å; E160-G368 WeakPolarHBondContact OE1-CA 3.44Å; E160-G368 PolarHBondContact OE1-N 3.16Å
161L98.1Very high98.2Very high12 Ų1231.1 Ų31.16%0.06316%0.163CC..  trans-111.3-174.9-167.7-52.4177.7000112.5M136 G138 V140 L159 K363 S364M136-L161 HydrophobicContact SD-CD2 3.85Å; G138-L161 VanDerWaalsContact O-CA 3.29Å; G138-L161 WeakPolarHBondContact O-CA 3.35Å; V140-L161 HydrophobicContact CG2-CB 4.29Å; L159-L161 HydrophobicContact CB-CD1 4.05Å; L159-L161 HydrophobicContact CB-CD2 4.09Å; L159-L161 HydrophobicContact CB-CG 3.96Å; L161-K363 WeakPolarHBondContact CB-O 3.43Å; L161-S364 PolarHBondContact N-O 3.02Å
162G95.4Very high98.2Very high2 Ų230.9 Ų30.92%0.02115%0.154CC..  trans-63.8174.3-178.700000114.3G138 E292 Y318 S364G138-G162 PolarHBondContact O-N 3.05Å; G162-E292 WeakPolarHBondContact CA-OE1 3.35Å; G162-Y318 WeakPolarHBondContact O-CD1 3.45Å; G162-S364 WeakPolarHBondContact O-CA 3.3Å; G162-S364 WeakPolarHBondContact O-CB 3.31Å; G162-S364 PolarHBondContact O-OG 2.96Å
163G96.9Very high98.2Very high0 Ų023.3 Ų23.30%012%0.122CC..  trans-144.2167.7-176.600000113.4E292G163-E292 PolarHBondContact N-OE1 2.54Å; G163-E292 WeakPolarHBondContact O-CB 3.46Å; G163-E292 VanDerWaalsContact O-CG 3.24Å; G163-E292 WeakPolarHBondContact O-CG 3.02Å
164K97.8Very high98.3Very high1 Ų124 Ų240%0.00413%0.126CC..  trans-138.362.7167-165.375.6-169.9174.80109.1P166 E198 R199 I288 M289 E291 T293 Y318K164-P166 WeakPolarHBondContact O-CD 3.09Å; K164-E198 HydrophobicContact CD-CB 3.83Å; K164-E198 HydrophobicContact CD-CG 4.33Å; K164-E198 WeakPolarHBondContact CD-OE2 3.3Å; K164-E198 HydrophobicContact CG-CB 4.3Å; K164-E198 IonicContact NZ-OE2 3.59Å; K164-E198 PolarHBondContact NZ-OE2 3.46Å; K164-R199 HydrophobicContact CG-CG 4.46Å; K164-R199 PolarHBondContact O-NE 3.33Å; K164-R199 PolarHBondContact O-NH2 2.96Å; K164-I288 WeakPolarHBondContact CE-O 3.26Å; K164-I288 PolarHBondContact NZ-O 3.28Å; K164-M289 WeakPolarHBondContact CG-O 3.5Å; K164-E291 WeakPolarHBondContact CD-O 3.15Å; K164-E291 WeakPolarHBondContact CE-O 3.27Å; K164-E291 PolarHBondContact NZ-O 3.15Å; K164-T293 PolarHBondContact NZ-OG1 3.44Å; K164-Y318 HydrophobicContact CB-CD2 3.65Å; K164-Y318 HydrophobicContact CB-CE2 4.3Å; K164-Y318 HydrophobicContact CB-CG 4.15Å
165A98.4Very high98.3Very high0 Ų017.9 Ų17.90%010%0.095CC..EExtended strand (participates in β ladder)trans-64.3122.7-165.500000111.8C196 E198 R199 T321A165-C196 WeakPolarHBondContact CB-O 3.34Å; A165-E198 PolarHBondContact O-N 3.11Å; A165-R199 PolarHBondContact O-N 2.71Å; A165-T321 VanDerWaalsContact CA-O 3.3Å; A165-T321 WeakPolarHBondContact CA-O 3.45Å; A165-T321 VanDerWaalsContact CB-O 3.27Å; A165-T321 WeakPolarHBondContact CB-O 3.41Å; A165-T321 WeakPolarHBondContact CB-OG1 3.38Å
166P98.7Very high98.2Very high0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-79.2144.1172.933.2-34.5000111.2K164 R199 Y201 A313 T321 S322 S323 F341K164-P166 WeakPolarHBondContact O-CD 3.09Å; P166-R199 CarbonylContact C-O 3.41Å; P166-R199 WeakPolarHBondContact CA-O 3.42Å; P166-R199 HydrophobicContact CB-CG 4.32Å; P166-Y201 HydrophobicContact CB-CD2 3.95Å; P166-Y201 HydrophobicContact CB-CE2 3.77Å; P166-A313 HydrophobicContact CB-CB 3.89Å; P166-A313 HydrophobicContact CG-CB 3.79Å; P166-T321 WeakPolarHBondContact CD-O 3.45Å; P166-S322 CarbonylContact O-C 3.52Å; P166-S323 PolarHBondContact O-N 2.83Å; P166-S323 PolarHBondContact O-OG 3.07Å; P166-F341 VanDerWaalsContact CD-CE1 3.47Å; P166-F341 VanDerWaalsContact CD-CZ 3.49Å; P166-F341 HydrophobicContact CG-CE1 4.04Å; P166-F341 HydrophobicContact CG-CE2 3.9Å; P166-F341 HydrophobicContact CG-CZ 3.53Å
167A98.8Very high98.2Very high0 Ų024.1 Ų24.10%013%0.126CC..EExtended strand (participates in β ladder)trans-120116.4164.800000109.8I182 A197 R199 I200 Y201 S323 Y325A167-I182 HydrophobicContact CB-CD1 3.99Å; A167-I182 HydrophobicContact CB-CG1 4.05Å; A167-A197 HydrophobicContact CB-CB 4.02Å; A167-R199 PolarHBondContact N-O 2.89Å; A167-I200 HydrophobicContact CB-CD1 3.7Å; A167-I200 WeakPolarHBondContact O-CA 3.49Å; A167-Y201 PolarHBondContact O-N 3.04Å; A167-S323 WeakPolarHBondContact CA-O 3.41Å; A167-S323 VanDerWaalsContact CA-OG 3.23Å; A167-S323 WeakPolarHBondContact CA-OG 3.19Å; A167-S323 WeakPolarHBondContact CB-OG 3.5Å; A167-Y325 HydrophobicContact CB-CE2 4.39Å
168I98.9Very high98.3Very high1 Ų123 Ų231%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-100.2123.3-178.2-59.2172.4000108.8M170 Y201 F303 A309 A313 S323 I324 Y325 L339I168-M170 HydrophobicContact CG2-CG 4.47Å; I168-M170 HydrophobicContact CG2-SD 3.67Å; I168-Y201 CarbonylContact C-O 3.52Å; I168-Y201 WeakPolarHBondContact CA-O 3.27Å; I168-Y201 HydrophobicContact CG1-CD2 4.41Å; I168-F303 HydrophobicContact CG2-CE1 3.92Å; I168-F303 HydrophobicContact CG2-CZ 3.78Å; I168-A309 HydrophobicContact CD1-CB 4.04Å; I168-A309 HydrophobicContact CG1-CB 4.31Å; I168-A309 HydrophobicContact CG2-CB 3.96Å; I168-A313 HydrophobicContact CD1-CB 4.26Å; I168-S323 PolarHBondContact N-O 2.94Å; I168-I324 HydrophobicContact CB-CB 4.29Å; I168-I324 HydrophobicContact CB-CG1 4.13Å; I168-I324 HydrophobicContact CG2-CD1 4.3Å; I168-I324 HydrophobicContact CG2-CG1 4.2Å; I168-I324 CarbonylContact O-C 3.59Å; I168-I324 VanDerWaalsContact O-CA 3.3Å; I168-I324 WeakPolarHBondContact O-CA 3.3Å; I168-Y325 PolarHBondContact O-N 2.59Å; I168-L339 HydrophobicContact CD1-CD2 4.12Å
169V98.9Very high98.3Very high0 Ų023.5 Ų23.50%012%0.122CC..EExtended strand (participates in β ladder)trans-114.9110.2177.7-168.80000108.6A173 L175 A178 I182 I200 Y201 V202 Q203 I206 F210 Y325V169-A173 HydrophobicContact CG1-CB 3.67Å; V169-L175 HydrophobicContact CG1-CD2 4.33Å; V169-A178 HydrophobicContact CG1-CB 4.07Å; V169-A178 HydrophobicContact CG2-CB 4.38Å; V169-I182 HydrophobicContact CG2-CD1 3.78Å; V169-I200 HydrophobicContact CG2-CG2 4.43Å; V169-Y201 PolarHBondContact N-O 3.23Å; V169-V202 HydrophobicContact CB-CG1 4.45Å; V169-V202 HydrophobicContact CB-CG2 4.46Å; V169-Q203 PolarHBondContact O-N 2.8Å; V169-I206 HydrophobicContact CB-CD1 4.49Å; V169-I206 HydrophobicContact CG1-CD1 3.7Å; V169-F210 HydrophobicContact CB-CE2 4.42Å; V169-F210 HydrophobicContact CG1-CD2 4Å; V169-F210 HydrophobicContact CG1-CE2 4.04Å; V169-F210 HydrophobicContact CG2-CD2 4.48Å; V169-F210 HydrophobicContact CG2-CE2 3.84Å; V169-F210 HydrophobicContact CG2-CZ 3.87Å; V169-Y325 HydrophobicContact CG2-CD2 4.11Å
170M98.9Very high98.2Very high7 Ų728 Ų283%0.03414%0.141CC..  trans-83159.8179.3-55.7-59.5-59.300110.8I168 D172 A173 I206 F303 L306 I324 Y325 V331I168-M170 HydrophobicContact CG2-CG 4.47Å; I168-M170 HydrophobicContact CG2-SD 3.67Å; M170-D172 WeakPolarHBondContact CB-OD1 3.25Å; M170-D172 PolarHBondContact O-N 3.15Å; M170-D172 VanDerWaalsContact O-N 3.11Å; M170-A173 WeakPolarHBondContact O-CB 3.29Å; M170-A173 PolarHBondContact O-N 3.47Å; M170-I206 WeakPolarHBondContact O-CD1 3.48Å; M170-F303 HydrophobicContact CE-CE2 4.12Å; M170-F303 HydrophobicContact CE-CZ 4.33Å; M170-F303 HydrophobicContact SD-CE2 3.96Å; M170-F303 HydrophobicContact SD-CZ 3.6Å; M170-L306 HydrophobicContact CE-CB 3.99Å; M170-L306 HydrophobicContact CE-CD1 4.2Å; M170-L306 HydrophobicContact SD-CD1 3.87Å; M170-I324 HydrophobicContact CG-CD1 4.2Å; M170-I324 HydrophobicContact CG-CG1 4.29Å; M170-I324 HydrophobicContact SD-CD1 4.39Å; M170-Y325 WeakPolarHBondContact CB-O 3.21Å; M170-Y325 WeakPolarHBondContact CG-O 3.4Å; M170-Y325 PolarHBondContact N-O 3.22Å; M170-Y325 VanDerWaalsContact N-O 3.07Å; M170-V331 HydrophobicContact CE-CG1 4.02Å; M170-V331 HydrophobicContact CG-CG1 3.9Å; M170-V331 HydrophobicContact SD-CG1 4.23Å
171D98.6Very high98.2Very high69 Ų6928 Ų2837%0.36914%0.142SC..THydrogen-bonded Turntrans-57.4-28.6-179.4-75-27000113.5Q203 G205 I206D171-Q203 VanDerWaalsContact CG-CD 3.49Å; D171-Q203 WeakPolarHBondContact OD1-CB 3.33Å; D171-Q203 WeakPolarHBondContact OD1-CG 3.44Å; D171-Q203 VanDerWaalsContact OD2-CD 3.24Å; D171-Q203 WeakPolarHBondContact OD2-CG 3.47Å; D171-Q203 PolarHBondContact OD2-OE1 3.05Å; D171-G205 WeakPolarHBondContact OD1-CA 3.4Å; D171-G205 PolarHBondContact OD1-N 2.78Å; D171-G205 VanDerWaalsContact OD1-N 3.07Å; D171-I206 HydrophobicContact CB-CG2 4.33Å; D171-I206 PolarHBondContact OD1-N 3.06Å
172D98.5Very high98.2Very high54 Ų5427.4 Ų27.429%0.28914%0.139SC..THydrogen-bonded Turntrans-91.95.9179.675.9-29.3000113.7M170 T326 Q327 N328M170-D172 WeakPolarHBondContact CB-OD1 3.25Å; M170-D172 PolarHBondContact O-N 3.15Å; M170-D172 VanDerWaalsContact O-N 3.11Å; D172-T326 VanDerWaalsContact CG-OG1 3.28Å; D172-T326 WeakPolarHBondContact OD1-CA 3.23Å; D172-T326 WeakPolarHBondContact OD1-CB 3.25Å; D172-T326 PolarHBondContact OD1-OG1 2.8Å; D172-T326 PolarHBondContact OD2-OG1 2.9Å; D172-T326 VanDerWaalsContact OD2-OG1 3.1Å; D172-Q327 VanDerWaalsContact O-CG 3.22Å; D172-Q327 WeakPolarHBondContact O-CG 3.36Å; D172-Q327 PolarHBondContact O-NE2 2.9Å; D172-Q327 PolarHBondContact OD1-N 3.46Å; D172-Q327 WeakPolarHBondContact OD2-CA 3.24Å; D172-Q327 PolarHBondContact OD2-N 2.8Å; D172-N328 VanDerWaalsContact OD2-CB 3.25Å; D172-N328 WeakPolarHBondContact OD2-CB 3.48Å; D172-N328 PolarHBondContact OD2-N 3.14Å
173A98.7Very high98.3Very high9 Ų927.7 Ų27.77%0.07414%0.14CC..SBendtrans-60.7147.3179.400000112V169 M170 L175 Y325V169-A173 HydrophobicContact CG1-CB 3.67Å; M170-A173 WeakPolarHBondContact O-CB 3.29Å; M170-A173 PolarHBondContact O-N 3.47Å; A173-L175 PolarHBondContact O-N 2.7Å; A173-Y325 WeakPolarHBondContact CB-O 3.35Å
174D98.6Very high98.3Very high76 Ų7628.1 Ų28.141%0.40614%0.142SC..  trans-67.1103.1157.8-179.1-22000108.1E176 L177 A178D174-E176 VanDerWaalsContact C-N 3.31Å; D174-E176 PolarHBondContact O-N 2.97Å; D174-E176 PolarHBondContact OD1-N 3.29Å; D174-L177 HydrophobicContact CB-CB 3.91Å; D174-L177 HydrophobicContact CB-CD2 4.46Å; D174-L177 PolarHBondContact O-N 3.41Å; D174-L177 PolarHBondContact OD1-N 2.9Å; D174-A178 WeakPolarHBondContact O-CB 3.24Å; D174-A178 PolarHBondContact O-N 2.87Å
175L98Very high98.2Very high23 Ų2328.1 Ų28.112%0.1214%0.143CC..Hα-helixtrans-66.8-32.1-176.2-63.9-177.8000112.7V169 A173 V179 I206 Q209 F210V169-L175 HydrophobicContact CG1-CD2 4.33Å; A173-L175 PolarHBondContact O-N 2.7Å; L175-V179 VanDerWaalsContact O-CB 3.31Å; L175-V179 WeakPolarHBondContact O-CB 3.49Å; L175-V179 WeakPolarHBondContact O-CG2 3.09Å; L175-V179 PolarHBondContact O-N 3.24Å; L175-I206 HydrophobicContact CD2-CB 4.47Å; L175-I206 HydrophobicContact CD2-CD1 3.59Å; L175-Q209 HydrophobicContact CD1-CG 3.88Å; L175-Q209 VanDerWaalsContact CD1-NE2 3.33Å; L175-F210 HydrophobicContact CD2-CD2 4.16Å
176E98.1Very high98.1Very high158 Ų15828.2 Ų28.274%0.73814%0.143SC*.Hα-helixtrans-67.6-47.7179.1-174.9176.6169.500109.7D174 K180D174-E176 VanDerWaalsContact C-N 3.31Å; D174-E176 PolarHBondContact O-N 2.97Å; D174-E176 PolarHBondContact OD1-N 3.29Å; E176-K180 VanDerWaalsContact O-CB 3.28Å; E176-K180 WeakPolarHBondContact O-CB 3.45Å; E176-K180 PolarHBondContact O-N 2.86Å
177L98.4Very high97.9Very high58 Ų5828.4 Ų28.430%0.30414%0.144SC..Hα-helixtrans-59.9-49.5174.3175.762.2000112D174 K180 A181 N347D174-L177 HydrophobicContact CB-CB 3.91Å; D174-L177 HydrophobicContact CB-CD2 4.46Å; D174-L177 PolarHBondContact O-N 3.41Å; D174-L177 PolarHBondContact OD1-N 2.9Å; L177-K180 PolarHBondContact O-N 3Å; L177-A181 VanDerWaalsContact O-CB 3.27Å; L177-A181 WeakPolarHBondContact O-CB 3.26Å; L177-A181 PolarHBondContact O-N 3.46Å; L177-N347 HydrophobicContact CD2-CB 4.13Å
178A98.6Very high97.7Very high0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-62.2-48.2-176.600000111.8V169 D174 I182 F210 Y325V169-A178 HydrophobicContact CG1-CB 4.07Å; V169-A178 HydrophobicContact CG2-CB 4.38Å; D174-A178 WeakPolarHBondContact O-CB 3.24Å; D174-A178 PolarHBondContact O-N 2.87Å; A178-I182 VanDerWaalsContact O-CB 3.32Å; A178-I182 WeakPolarHBondContact O-CB 3.44Å; A178-I182 WeakPolarHBondContact O-CD1 3.24Å; A178-I182 VanDerWaalsContact O-CG1 3.28Å; A178-I182 WeakPolarHBondContact O-CG1 3.18Å; A178-I182 PolarHBondContact O-N 3.24Å; A178-F210 HydrophobicContact CB-CE2 4.13Å; A178-Y325 HydrophobicContact CB-CD1 3.77Å; A178-Y325 HydrophobicContact CB-CD2 4.12Å; A178-Y325 HydrophobicContact CB-CE1 4.31Å; A178-Y325 HydrophobicContact CB-CG 3.66Å
179V98.5Very high97.5Very high13 Ų1330.9 Ų30.98%0.07916%0.157CC..Hα-helixtrans-60.3-49177.3169.50000110.2L175 A181 I182 V183 F210 R213 A217L175-V179 VanDerWaalsContact O-CB 3.31Å; L175-V179 WeakPolarHBondContact O-CB 3.49Å; L175-V179 WeakPolarHBondContact O-CG2 3.09Å; L175-V179 PolarHBondContact O-N 3.24Å; V179-A181 PolarHBondContact O-N 3.05Å; V179-I182 PolarHBondContact O-N 3.49Å; V179-V183 HydrophobicContact CG1-CG2 4.29Å; V179-V183 WeakPolarHBondContact O-CB 3.32Å; V179-V183 VanDerWaalsContact O-CG2 3.26Å; V179-V183 WeakPolarHBondContact O-CG2 2.98Å; V179-V183 PolarHBondContact O-N 3Å; V179-F210 HydrophobicContact CG2-CD2 3.78Å; V179-F210 HydrophobicContact CG2-CE2 3.59Å; V179-F210 HydrophobicContact CG2-CZ 4.33Å; V179-R213 HydrophobicContact CG2-CB 3.95Å; V179-A217 HydrophobicContact CG1-CB 3.81Å
180K97.4Very high97.4Very high100 Ų10031 Ų3144%0.43516%0.158SC..Hα-helixtrans-59.5-50.9-179.2-174.4-176.1-171.1-53.40111.8E176 L177 I182 V183 D184E176-K180 VanDerWaalsContact O-CB 3.28Å; E176-K180 WeakPolarHBondContact O-CB 3.45Å; E176-K180 PolarHBondContact O-N 2.86Å; L177-K180 PolarHBondContact O-N 3Å; K180-I182 VanDerWaalsContact C-N 3.35Å; K180-I182 PolarHBondContact O-N 3.33Å; K180-V183 PolarHBondContact O-N 3.47Å; K180-D184 IonicContact NZ-OD2 3.33Å; K180-D184 PolarHBondContact NZ-OD2 2.97Å; K180-D184 WeakPolarHBondContact O-CB 3.41Å; K180-D184 PolarHBondContact O-N 3.01Å
181A98Very high97.3Very high5 Ų530.6 Ų30.64%0.04116%0.156CC..Hα-helixtrans-63.3-40.1-177.300000112.3L177 V179 S185 Y325L177-A181 VanDerWaalsContact O-CB 3.27Å; L177-A181 WeakPolarHBondContact O-CB 3.26Å; L177-A181 PolarHBondContact O-N 3.46Å; V179-A181 PolarHBondContact O-N 3.05Å; A181-S185 WeakPolarHBondContact O-CB 3.33Å; A181-S185 PolarHBondContact O-N 3.27Å; A181-Y325 HydrophobicContact CB-CE1 3.88Å; A181-Y325 WeakPolarHBondContact CB-OH 3.46Å
182I98.3Very high97.2Very high0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-68-44177.4-73165.4000111.5A167 V169 A178 V179 K180 S185 R186 I200 F210 L214 L298 Y325A167-I182 HydrophobicContact CB-CD1 3.99Å; A167-I182 HydrophobicContact CB-CG1 4.05Å; V169-I182 HydrophobicContact CG2-CD1 3.78Å; A178-I182 VanDerWaalsContact O-CB 3.32Å; A178-I182 WeakPolarHBondContact O-CB 3.44Å; A178-I182 WeakPolarHBondContact O-CD1 3.24Å; A178-I182 VanDerWaalsContact O-CG1 3.28Å; A178-I182 WeakPolarHBondContact O-CG1 3.18Å; A178-I182 PolarHBondContact O-N 3.24Å; V179-I182 PolarHBondContact O-N 3.49Å; K180-I182 VanDerWaalsContact C-N 3.35Å; K180-I182 PolarHBondContact O-N 3.33Å; I182-S185 PolarHBondContact O-N 3.1Å; I182-R186 PolarHBondContact O-N 2.85Å; I182-I200 HydrophobicContact CD1-CD1 4.23Å; I182-I200 HydrophobicContact CD1-CG2 4.15Å; I182-I200 HydrophobicContact CG1-CD1 4.27Å; I182-I200 HydrophobicContact CG2-CD1 3.56Å; I182-I200 HydrophobicContact CG2-CG1 4.18Å; I182-F210 HydrophobicContact CD1-CE2 4.26Å; I182-F210 HydrophobicContact CD1-CZ 3.66Å; I182-L214 HydrophobicContact CG2-CD1 4.07Å; I182-L298 HydrophobicContact CG2-CD1 3.62Å; I182-Y325 HydrophobicContact CD1-CD2 4.45Å; I182-Y325 HydrophobicContact CD1-CE2 3.97Å; I182-Y325 HydrophobicContact CG1-CE2 4.04Å
183V97.6Very high97.1Very high8 Ų825.1 Ų25.15%0.04813%0.127CC..Hα-helixtrans-63.6-53.7177.6172.10000110.3V179 K180 S185 R186 V187 L214 A217 M218 V221V179-V183 HydrophobicContact CG1-CG2 4.29Å; V179-V183 WeakPolarHBondContact O-CB 3.32Å; V179-V183 VanDerWaalsContact O-CG2 3.26Å; V179-V183 WeakPolarHBondContact O-CG2 2.98Å; V179-V183 PolarHBondContact O-N 3Å; K180-V183 PolarHBondContact O-N 3.47Å; V183-S185 PolarHBondContact O-N 3.49Å; V183-R186 PolarHBondContact O-N 3.4Å; V183-V187 HydrophobicContact CG1-CG1 4.17Å; V183-V187 WeakPolarHBondContact O-CG1 3.42Å; V183-V187 VanDerWaalsContact O-CG2 3.27Å; V183-V187 WeakPolarHBondContact O-CG2 3.34Å; V183-V187 PolarHBondContact O-N 2.88Å; V183-L214 HydrophobicContact CG2-CD1 3.53Å; V183-A217 HydrophobicContact CG2-CB 3.84Å; V183-M218 HydrophobicContact CG2-CG 4.02Å; V183-V221 HydrophobicContact CG1-CG2 3.99Å
184D95.9Very high97Very high8 Ų825.8 Ų25.84%0.04313%0.131CC..Hα-helixtrans-57.3-40.9-179.7-64.8-18.5000110.7L2 N4 K180 R186 V187 I188L2-D184 HydrophobicContact CB-CB 4.11Å; L2-D184 HydrophobicContact CD1-CB 3.55Å; L2-D184 HydrophobicContact CG-CB 4.48Å; N4-D184 PolarHBondContact ND2-OD1 3.23Å; N4-D184 PolarHBondContact OD1-OD1 3.09Å; K180-D184 IonicContact NZ-OD2 3.33Å; K180-D184 PolarHBondContact NZ-OD2 2.97Å; K180-D184 WeakPolarHBondContact O-CB 3.41Å; K180-D184 PolarHBondContact O-N 3.01Å; D184-R186 PolarHBondContact O-N 2.99Å; D184-V187 PolarHBondContact O-N 3.5Å; D184-I188 WeakPolarHBondContact O-CB 3.16Å; D184-I188 WeakPolarHBondContact O-CG2 3.34Å; D184-I188 PolarHBondContact O-N 3.38Å
185S96.3Very high96.8Very high2 Ų222.3 Ų22.31%0.01411%0.112CC..Hα-helixtrans-61.2-41.2174.2-179.40000112.4A181 I182 V183 I188 C196 A197 N350A181-S185 WeakPolarHBondContact O-CB 3.33Å; A181-S185 PolarHBondContact O-N 3.27Å; I182-S185 PolarHBondContact O-N 3.1Å; V183-S185 PolarHBondContact O-N 3.49Å; S185-I188 WeakPolarHBondContact O-CG2 3.13Å; S185-C196 WeakPolarHBondContact O-CB 3.29Å; S185-C196 PolarHBondContact O-SG 3.43Å; S185-C196 WeakPolarHBondContact OG-CA 3.45Å; S185-C196 VanDerWaalsContact OG-CB 3.3Å; S185-C196 WeakPolarHBondContact OG-CB 3.32Å; S185-C196 PolarHBondContact OG-SG 3.07Å; S185-C196 VanDerWaalsContact OG-SG 3.41Å; S185-A197 PolarHBondContact OG-N 2.99Å; S185-N350 WeakPolarHBondContact OG-CB 3.46Å
186R96.5Very high96.7Very high1 Ų121.2 Ų21.20%0.00411%0.107CC..Hα-helixtrans-76.4-30.5-178.6-167.570.3-84.8175.3-14.6113.3I182 V183 D184 G191 A197 E198 G295 V297 L298I182-R186 PolarHBondContact O-N 2.85Å; V183-R186 PolarHBondContact O-N 3.4Å; D184-R186 PolarHBondContact O-N 2.99Å; R186-G191 PolarHBondContact NH2-O 3.27Å; R186-G191 WeakPolarHBondContact O-CA 3.5Å; R186-G191 PolarHBondContact O-N 3.29Å; R186-A197 WeakPolarHBondContact CD-O 3.42Å; R186-A197 PolarHBondContact NH1-O 3.27Å; R186-E198 IonicContact CZ-OE1 3.45Å; R186-E198 VanDerWaalsContact NH1-CA 3.34Å; R186-E198 VanDerWaalsContact NH1-CG 3.29Å; R186-E198 IonicContact NH1-OE1 3.49Å; R186-E198 PolarHBondContact NH1-OE1 3.34Å; R186-E198 IonicContact NH2-OE1 3.68Å; R186-E198 PolarHBondContact NH2-OE1 3.36Å; R186-G295 PolarHBondContact NE-O 2.79Å; R186-G295 PolarHBondContact NH2-O 2.78Å; R186-V297 WeakPolarHBondContact CD-O 3.41Å; R186-L298 HydrophobicContact CB-CD1 3.94Å; R186-L298 HydrophobicContact CB-CD2 3.98Å; R186-L298 HydrophobicContact CB-CG 3.94Å; R186-L298 HydrophobicContact CG-CD1 4.22Å; R186-L298 HydrophobicContact CG-CD2 3.82Å; R186-L298 HydrophobicContact CG-CG 3.7Å
187V94.5Very high96.7Very high4 Ų413.7 Ų13.72%0.0247%0.072CC..Hα-helixtrans-92.5-23.5-171.8-55.70000113V183 D184 N189 S190 V221 M234V183-V187 HydrophobicContact CG1-CG1 4.17Å; V183-V187 WeakPolarHBondContact O-CG1 3.42Å; V183-V187 VanDerWaalsContact O-CG2 3.27Å; V183-V187 WeakPolarHBondContact O-CG2 3.34Å; V183-V187 PolarHBondContact O-N 2.88Å; D184-V187 PolarHBondContact O-N 3.5Å; V187-N189 PolarHBondContact O-N 3.2Å; V187-S190 WeakPolarHBondContact O-CA 3.19Å; V187-S190 PolarHBondContact O-N 3.2Å; V187-V221 HydrophobicContact CB-CG1 4.2Å; V187-V221 HydrophobicContact CG1-CG1 3.95Å; V187-V221 HydrophobicContact CG1-CG2 3.93Å; V187-M234 HydrophobicContact CB-CG 3.76Å; V187-M234 HydrophobicContact CB-SD 3.6Å; V187-M234 VanDerWaalsContact CB-SD 3.6Å; V187-M234 HydrophobicContact CG1-CG 4.49Å; V187-M234 HydrophobicContact CG1-SD 3.69Å; V187-M234 WeakPolarHBondContact O-CG 3.5Å
188I94.5Very high96.7Very high15 Ų1511 Ų118%0.0776%0.058CC..G310 helixtrans-54.9127.2175.5-168.6175.8000110.4L2 L9 D184 S185 S190 G191 V193 F351L2-I188 HydrophobicContact CD2-CD1 4.29Å; L9-I188 HydrophobicContact CD1-CD1 3.99Å; L9-I188 HydrophobicContact CD1-CG1 4.37Å; L9-I188 HydrophobicContact CD2-CD1 4.19Å; L9-I188 HydrophobicContact CD2-CG1 3.67Å; D184-I188 WeakPolarHBondContact O-CB 3.16Å; D184-I188 WeakPolarHBondContact O-CG2 3.34Å; D184-I188 PolarHBondContact O-N 3.38Å; S185-I188 WeakPolarHBondContact O-CG2 3.13Å; I188-S190 PolarHBondContact O-N 2.87Å; I188-S190 VanDerWaalsContact O-N 3.09Å; I188-G191 PolarHBondContact O-N 3.09Å; I188-V193 HydrophobicContact CG2-CG2 4.04Å; I188-F351 HydrophobicContact CD1-CE2 4.43Å
189N94.6Very high96.7Very high38 Ų3811 Ų1120%0.2036%0.058CC..G310 helixtrans49.334.7-174.1-160.112.8000113.5N62 V187 G191 Q192 V193N62-N189 PolarHBondContact O-ND2 3.38Å; V187-N189 PolarHBondContact O-N 3.2Å; N189-G191 PolarHBondContact O-N 3.25Å; N189-Q192 VanDerWaalsContact O-CB 3.22Å; N189-Q192 WeakPolarHBondContact O-CB 3.4Å; N189-Q192 WeakPolarHBondContact O-CG 3.3Å; N189-Q192 PolarHBondContact O-N 3Å; N189-Q192 PolarHBondContact O-NE2 3.11Å; N189-Q192 VanDerWaalsContact O-NE2 3.08Å; N189-V193 HydrophobicContact CB-CG2 3.88Å
190S96.4Very high96.7Very high2 Ų210.4 Ų10.41%0.0145%0.054CC..G310 helixtrans55.135.1-174.9-55.40000113.4V187 I188 Q192 G235 G295 P296V187-S190 WeakPolarHBondContact O-CA 3.19Å; V187-S190 PolarHBondContact O-N 3.2Å; I188-S190 PolarHBondContact O-N 2.87Å; I188-S190 VanDerWaalsContact O-N 3.09Å; S190-Q192 VanDerWaalsContact C-N 3.3Å; S190-Q192 PolarHBondContact O-N 3.43Å; S190-G235 PolarHBondContact OG-N 2.92Å; S190-G235 PolarHBondContact OG-O 3.34Å; S190-G295 CarbonylContact O-C 3.56Å; S190-G295 WeakPolarHBondContact O-CA 3.1Å; S190-P296 VanDerWaalsContact O-CD 3.29Å; S190-P296 WeakPolarHBondContact O-CD 3.3Å
191G96.5Very high96.8Very high0 Ų05.7 Ų5.70%03%0.033CC..G310 helixtrans75.913.5-178.200000113.9R186 I188 N189 V193 F294 G295R186-G191 PolarHBondContact NH2-O 3.27Å; R186-G191 WeakPolarHBondContact O-CA 3.5Å; R186-G191 PolarHBondContact O-N 3.29Å; I188-G191 PolarHBondContact O-N 3.09Å; N189-G191 PolarHBondContact O-N 3.25Å; G191-V193 PolarHBondContact O-N 3.29Å; G191-V193 VanDerWaalsContact O-N 3.1Å; G191-F294 CarbonylContact O-C 3.5Å; G191-G295 PolarHBondContact O-N 2.86Å
192Q97.2Very high96.8Very high3 Ų35.4 Ų5.41%0.0143%0.031CC..  trans-90.952.4-177.3-63172.3118.800111.5W61 N62 N189 S190 L237 F294W61-Q192 HydrophobicContact CH2-CB 3.51Å; W61-Q192 HydrophobicContact CH2-CG 3.64Å; W61-Q192 HydrophobicContact CZ3-CB 3.61Å; W61-Q192 VanDerWaalsContact CZ3-CD 3.46Å; W61-Q192 HydrophobicContact CZ3-CG 4Å; N62-Q192 WeakPolarHBondContact CB-O 3.39Å; N62-Q192 PolarHBondContact ND2-O 3.18Å; N189-Q192 VanDerWaalsContact O-CB 3.22Å; N189-Q192 WeakPolarHBondContact O-CB 3.4Å; N189-Q192 WeakPolarHBondContact O-CG 3.3Å; N189-Q192 PolarHBondContact O-N 3Å; N189-Q192 PolarHBondContact O-NE2 3.11Å; N189-Q192 VanDerWaalsContact O-NE2 3.08Å; S190-Q192 VanDerWaalsContact C-N 3.3Å; S190-Q192 PolarHBondContact O-N 3.43Å; Q192-L237 HydrophobicContact CG-CD2 3.79Å; Q192-F294 HydrophobicContact CB-CD1 3.91Å; Q192-F294 HydrophobicContact CB-CE1 3.6Å; Q192-F294 HydrophobicContact CB-CZ 4.25Å; Q192-F294 HydrophobicContact CG-CD1 4.05Å; Q192-F294 HydrophobicContact CG-CE1 4.22Å; Q192-F294 VanDerWaalsContact O-CZ 3.29Å; Q192-F294 WeakPolarHBondContact O-CZ 2.98Å
193V96.2Very high96.9Very high4 Ų47 Ų72%0.0244%0.038CC..  trans-137.3129.9-176.2177.60000108.7F63 I188 N189 G191 N195 C196F63-V193 HydrophobicContact CE2-CB 4.15Å; F63-V193 HydrophobicContact CE2-CG1 3.83Å; F63-V193 HydrophobicContact CE2-CG2 3.5Å; F63-V193 HydrophobicContact CZ-CG1 4.36Å; F63-V193 HydrophobicContact CZ-CG2 3.84Å; I188-V193 HydrophobicContact CG2-CG2 4.04Å; N189-V193 HydrophobicContact CB-CG2 3.88Å; G191-V193 PolarHBondContact O-N 3.29Å; G191-V193 VanDerWaalsContact O-N 3.1Å; V193-N195 HydrophobicContact CG1-CB 4.43Å; V193-N195 PolarHBondContact O-N 2.83Å; V193-C196 HydrophobicContact CB-CB 4.44Å; V193-C196 WeakPolarHBondContact CB-SG 3.29Å; V193-C196 PolarHBondContact O-N 2.84Å
194C96.3Very high96.9Very high24 Ų2412 Ų1216%0.1626%0.059CC..THydrogen-bonded Turntrans-63.3-29.3-173.249.30000113.4C196 L320C194-C196 VanDerWaalsContact C-N 3.33Å; C194-C196 PolarHBondContact O-N 3.2Å; C194-L320 HydrophobicContact CB-CD2 3.65Å
195N95.6Very high97Very high2 Ų214.6 Ų14.61%0.0119%0.088CC..THydrogen-bonded Turntrans-83.1-9.9-175.1-67.3-12000114.2V193 L320 T321 E352 H358V193-N195 HydrophobicContact CG1-CB 4.43Å; V193-N195 PolarHBondContact O-N 2.83Å; N195-L320 WeakPolarHBondContact OD1-CD2 3.45Å; N195-T321 WeakPolarHBondContact CA-OG1 3.42Å; N195-T321 HydrophobicContact CB-CG2 3.9Å; N195-T321 PolarHBondContact O-OG1 3.03Å; N195-T321 WeakPolarHBondContact OD1-CG2 3.41Å; N195-E352 VanDerWaalsContact ND2-CD 3.26Å; N195-E352 PolarHBondContact ND2-OE2 2.74Å; N195-H358 PolarHBondContact ND2-CE1 3.38Å; N195-H358 VanDerWaalsContact ND2-CE1 3.29Å; N195-H358 PolarHBondContact OD1-CE1 3.09Å
196C96.2Very high97.1Very high1 Ų115.1 Ų15.11%0.0079%0.091CC..SBendtrans-75.3145.7-166.8-72.50000113.5A165 S185 V193 C194 E198A165-C196 WeakPolarHBondContact CB-O 3.34Å; S185-C196 WeakPolarHBondContact O-CB 3.29Å; S185-C196 PolarHBondContact O-SG 3.43Å; S185-C196 WeakPolarHBondContact OG-CA 3.45Å; S185-C196 VanDerWaalsContact OG-CB 3.3Å; S185-C196 WeakPolarHBondContact OG-CB 3.32Å; S185-C196 PolarHBondContact OG-SG 3.07Å; S185-C196 VanDerWaalsContact OG-SG 3.41Å; V193-C196 HydrophobicContact CB-CB 4.44Å; V193-C196 WeakPolarHBondContact CB-SG 3.29Å; V193-C196 PolarHBondContact O-N 2.84Å; C194-C196 VanDerWaalsContact C-N 3.33Å; C194-C196 PolarHBondContact O-N 3.2Å; C196-E198 WeakPolarHBondContact O-CG 3.43Å; C196-E198 PolarHBondContact O-N 3.41Å; C196-E198 VanDerWaalsContact O-N 3.11Å
197A97.8Very high97.2Very high0 Ų017 Ų170%010%0.098CC..EExtended strand (participates in β ladder)trans-55.5116.9174.500000110A167 S185 R186 I200 L298A167-A197 HydrophobicContact CB-CB 4.02Å; S185-A197 PolarHBondContact OG-N 2.99Å; R186-A197 WeakPolarHBondContact CD-O 3.42Å; R186-A197 PolarHBondContact NH1-O 3.27Å; A197-I200 HydrophobicContact CB-CD1 3.97Å; A197-L298 WeakPolarHBondContact O-CD2 3.32Å
198E97.8Very high97.4Very high2 Ų222.4 Ų22.41%0.00913%0.127CC..EExtended strand (participates in β ladder)trans-109-18.1-175-78.8-98.5139.800112.7K164 A165 R186 C196 E292 T293 F294 P299K164-E198 HydrophobicContact CD-CB 3.83Å; K164-E198 HydrophobicContact CD-CG 4.33Å; K164-E198 WeakPolarHBondContact CD-OE2 3.3Å; K164-E198 HydrophobicContact CG-CB 4.3Å; K164-E198 IonicContact NZ-OE2 3.59Å; K164-E198 PolarHBondContact NZ-OE2 3.46Å; A165-E198 PolarHBondContact O-N 3.11Å; R186-E198 IonicContact CZ-OE1 3.45Å; R186-E198 VanDerWaalsContact NH1-CA 3.34Å; R186-E198 VanDerWaalsContact NH1-CG 3.29Å; R186-E198 IonicContact NH1-OE1 3.49Å; R186-E198 PolarHBondContact NH1-OE1 3.34Å; R186-E198 IonicContact NH2-OE1 3.68Å; R186-E198 PolarHBondContact NH2-OE1 3.36Å; C196-E198 WeakPolarHBondContact O-CG 3.43Å; C196-E198 PolarHBondContact O-N 3.41Å; C196-E198 VanDerWaalsContact O-N 3.11Å; E198-E292 WeakPolarHBondContact OE2-CA 3.39Å; E198-T293 PolarHBondContact OE2-N 2.68Å; E198-F294 PolarHBondContact OE1-N 2.88Å; E198-F294 VanDerWaalsContact OE1-N 3.12Å; E198-P299 WeakPolarHBondContact O-CD 3.38Å; E198-P299 WeakPolarHBondContact O-CG 3.39Å
199R98.5Very high97.6Very high0 Ų026.1 Ų26.10%014%0.144CC..EExtended strand (participates in β ladder)trans-153.8130.6-179.755.8-175173.3130.9-1.3110.3K164 A165 P166 A167 Y201 M289 P299 M312 A313 S316K164-R199 HydrophobicContact CG-CG 4.46Å; K164-R199 PolarHBondContact O-NE 3.33Å; K164-R199 PolarHBondContact O-NH2 2.96Å; A165-R199 PolarHBondContact O-N 2.71Å; P166-R199 CarbonylContact C-O 3.41Å; P166-R199 WeakPolarHBondContact CA-O 3.42Å; P166-R199 HydrophobicContact CB-CG 4.32Å; A167-R199 PolarHBondContact N-O 2.89Å; R199-Y201 HydrophobicContact CG-CE2 4.07Å; R199-Y201 PolarHBondContact NH1-OH 3.14Å; R199-M289 HydrophobicContact CB-CE 3.63Å; R199-M289 HydrophobicContact CB-SD 3.97Å; R199-M289 VanDerWaalsContact CD-O 3.29Å; R199-M289 WeakPolarHBondContact CD-O 3.14Å; R199-M289 HydrophobicContact CG-CE 4.28Å; R199-P299 HydrophobicContact CB-CG 4.15Å; R199-M312 PolarHBondContact NH1-O 2.91Å; R199-A313 PolarHBondContact NH1-O 3.02Å; R199-A313 PolarHBondContact NH2-O 3.13Å; R199-S316 VanDerWaalsContact NH2-CB 3.28Å
200I98.9Very high97.8Very high0 Ų024.3 Ų24.30%013%0.134CC..EExtended strand (participates in β ladder)trans-108.8131.2-172.2-44.5-57.4000109.1A167 V169 I182 A197 V202 F210 L298 P299 V300 V301A167-I200 HydrophobicContact CB-CD1 3.7Å; A167-I200 WeakPolarHBondContact O-CA 3.49Å; V169-I200 HydrophobicContact CG2-CG2 4.43Å; I182-I200 HydrophobicContact CD1-CD1 4.23Å; I182-I200 HydrophobicContact CD1-CG2 4.15Å; I182-I200 HydrophobicContact CG1-CD1 4.27Å; I182-I200 HydrophobicContact CG2-CD1 3.56Å; I182-I200 HydrophobicContact CG2-CG1 4.18Å; A197-I200 HydrophobicContact CB-CD1 3.97Å; I200-V202 HydrophobicContact CG2-CG2 3.76Å; I200-F210 HydrophobicContact CG2-CE1 3.92Å; I200-F210 HydrophobicContact CG2-CZ 4.23Å; I200-L298 HydrophobicContact CD1-CD2 3.87Å; I200-L298 HydrophobicContact CG1-CB 4.46Å; I200-L298 HydrophobicContact CG1-CD2 4.01Å; I200-P299 PolarHBondContact N-O 3.29Å; I200-V300 HydrophobicContact CB-CG1 4.38Å; I200-V300 HydrophobicContact CB-CG2 4.26Å; I200-V300 WeakPolarHBondContact O-CA 3.42Å; I200-V301 PolarHBondContact O-N 2.81Å
201Y98.9Very high97.9Very high0 Ų024.7 Ų24.70%014%0.137CC..EExtended strand (participates in β ladder)trans-112.9123.3172.9-64.1-75000108P166 A167 I168 V169 R199 Q284 M289 V301 M312P166-Y201 HydrophobicContact CB-CD2 3.95Å; P166-Y201 HydrophobicContact CB-CE2 3.77Å; A167-Y201 PolarHBondContact O-N 3.04Å; I168-Y201 CarbonylContact C-O 3.52Å; I168-Y201 WeakPolarHBondContact CA-O 3.27Å; I168-Y201 HydrophobicContact CG1-CD2 4.41Å; V169-Y201 PolarHBondContact N-O 3.23Å; R199-Y201 HydrophobicContact CG-CE2 4.07Å; R199-Y201 PolarHBondContact NH1-OH 3.14Å; Y201-Q284 PolarHBondContact OH-OE1 3.29Å; Y201-M289 HydrophobicContact CE1-CE 3.7Å; Y201-M289 HydrophobicContact CE2-CE 4.36Å; Y201-M289 WeakPolarHBondContact OH-CE 3.29Å; Y201-V301 CarbonylContact C-O 3.58Å; Y201-V301 VanDerWaalsContact CA-O 3.31Å; Y201-V301 WeakPolarHBondContact CA-O 3.42Å; Y201-V301 HydrophobicContact CD1-CB 3.87Å; Y201-V301 HydrophobicContact CD1-CG1 4.17Å; Y201-V301 HydrophobicContact CE1-CB 3.97Å; Y201-V301 HydrophobicContact CE1-CG1 4.18Å; Y201-V301 HydrophobicContact CE1-CG2 4.42Å; Y201-M312 HydrophobicContact CD1-CB 4.25Å; Y201-M312 HydrophobicContact CD1-CE 3.72Å; Y201-M312 HydrophobicContact CD1-SD 4.27Å; Y201-M312 HydrophobicContact CE1-CB 3.56Å; Y201-M312 HydrophobicContact CE1-CE 3.94Å; Y201-M312 HydrophobicContact CE1-CG 4.32Å; Y201-M312 HydrophobicContact CE1-SD 3.88Å; Y201-M312 PolarHBondContact OH-O 3.1Å
202V98.9Very high98Very high0 Ų029.6 Ų29.60%016%0.163CC..EExtended strand (participates in β ladder)trans-125.2131.2-176.2-173.20000109.6V169 I200 I206 Y207 F210 V300 V301 A302 F303V169-V202 HydrophobicContact CB-CG1 4.45Å; V169-V202 HydrophobicContact CB-CG2 4.46Å; I200-V202 HydrophobicContact CG2-CG2 3.76Å; V202-I206 HydrophobicContact CG1-CD1 4.08Å; V202-I206 HydrophobicContact CG1-CG1 3.9Å; V202-Y207 HydrophobicContact CB-CD2 4.06Å; V202-Y207 HydrophobicContact CG1-CD2 4.44Å; V202-F210 HydrophobicContact CB-CD1 4.4Å; V202-F210 HydrophobicContact CG1-CB 3.95Å; V202-F210 HydrophobicContact CG1-CD1 4.05Å; V202-F210 HydrophobicContact CG1-CG 4.05Å; V202-F210 HydrophobicContact CG2-CD1 3.46Å; V202-F210 VanDerWaalsContact CG2-CD1 3.46Å; V202-F210 HydrophobicContact CG2-CE1 3.62Å; V202-F210 HydrophobicContact CG2-CG 4.22Å; V202-V300 HydrophobicContact CB-CG1 4.46Å; V202-V300 HydrophobicContact CG2-CG1 3.65Å; V202-V301 PolarHBondContact N-O 2.62Å; V202-A302 CarbonylContact O-C 3.5Å; V202-A302 VanDerWaalsContact O-CA 3.28Å; V202-A302 WeakPolarHBondContact O-CA 3.46Å; V202-F303 VanDerWaalsContact C-CD1 3.43Å; V202-F303 WeakPolarHBondContact O-CD1 3.48Å; V202-F303 PolarHBondContact O-N 3.15Å
203Q98.8Very high98Very high32 Ų3235.2 Ų35.215%0.1518%0.184CC..EExtended strand (participates in β ladder)trans-67.8139177.9-163.2167.917.500110.3V169 D171 G205 I206 Y207 F303 D304V169-Q203 PolarHBondContact O-N 2.8Å; D171-Q203 VanDerWaalsContact CG-CD 3.49Å; D171-Q203 WeakPolarHBondContact OD1-CB 3.33Å; D171-Q203 WeakPolarHBondContact OD1-CG 3.44Å; D171-Q203 VanDerWaalsContact OD2-CD 3.24Å; D171-Q203 WeakPolarHBondContact OD2-CG 3.47Å; D171-Q203 PolarHBondContact OD2-OE1 3.05Å; Q203-G205 PolarHBondContact O-N 2.71Å; Q203-G205 VanDerWaalsContact O-N 3.12Å; Q203-I206 WeakPolarHBondContact O-CG1 3.28Å; Q203-I206 PolarHBondContact O-N 3.08Å; Q203-Y207 PolarHBondContact O-N 3.45Å; Q203-F303 WeakPolarHBondContact CA-O 3.45Å; Q203-F303 HydrophobicContact CB-CD2 4.32Å; Q203-F303 HydrophobicContact CB-CE1 4.15Å; Q203-F303 HydrophobicContact CB-CE2 3.66Å; Q203-F303 HydrophobicContact CB-CZ 3.56Å; Q203-F303 HydrophobicContact CG-CD2 4.2Å; Q203-F303 HydrophobicContact CG-CE2 3.72Å; Q203-F303 HydrophobicContact CG-CZ 4.17Å; Q203-D304 PolarHBondContact NE2-O 3.33Å
204K98.4Very high98.1Very high113 Ų11335 Ų3549%0.49118%0.183SC..G310 helixtrans-57-30.8-170.3-79.4-173.6-163.8157.90114.8I206 Y207 A302 F303 D304K204-I206 PolarHBondContact O-N 3.48Å; K204-Y207 PolarHBondContact O-N 2.96Å; K204-A302 HydrophobicContact CG-CB 4Å; K204-F303 PolarHBondContact N-O 2.94Å; K204-D304 VanDerWaalsContact CD-OD1 3.27Å; K204-D304 WeakPolarHBondContact CD-OD1 3.27Å; K204-D304 WeakPolarHBondContact CE-OD1 3.4Å; K204-D304 WeakPolarHBondContact CE-OD2 3.45Å; K204-D304 IonicContact NZ-OD1 2.82Å; K204-D304 PolarHBondContact NZ-OD1 3.48Å; K204-D304 IonicContact NZ-OD2 3.96Å; K204-D304 PolarHBondContact NZ-OD2 3.12Å
205G98.4Very high98.2Very high63 Ų6334.6 Ų34.665%0.64918%0.182SC*.G310 helixtrans-62.1-24.8-177.400000113.6D171 Q203D171-G205 WeakPolarHBondContact OD1-CA 3.4Å; D171-G205 PolarHBondContact OD1-N 2.78Å; D171-G205 VanDerWaalsContact OD1-N 3.07Å; Q203-G205 PolarHBondContact O-N 2.71Å; Q203-G205 VanDerWaalsContact O-N 3.12Å
206I98.5Very high98.4Very high14 Ų1440.8 Ų40.87%0.07221%0.211CC..G310 helixtrans-118.84.4-179.359.3162.8000114V169 M170 D171 L175 V202 Q203 K204 D208 Q209 F210V169-I206 HydrophobicContact CB-CD1 4.49Å; V169-I206 HydrophobicContact CG1-CD1 3.7Å; M170-I206 WeakPolarHBondContact O-CD1 3.48Å; D171-I206 HydrophobicContact CB-CG2 4.33Å; D171-I206 PolarHBondContact OD1-N 3.06Å; L175-I206 HydrophobicContact CD2-CB 4.47Å; L175-I206 HydrophobicContact CD2-CD1 3.59Å; V202-I206 HydrophobicContact CG1-CD1 4.08Å; V202-I206 HydrophobicContact CG1-CG1 3.9Å; Q203-I206 WeakPolarHBondContact O-CG1 3.28Å; Q203-I206 PolarHBondContact O-N 3.08Å; K204-I206 PolarHBondContact O-N 3.48Å; I206-D208 PolarHBondContact O-N 3.01Å; I206-Q209 PolarHBondContact O-N 3.27Å; I206-F210 WeakPolarHBondContact O-CB 3.49Å; I206-F210 PolarHBondContact O-N 3.34Å
207Y98.6Very high98.4Very high41 Ų4142.3 Ų42.316%0.16122%0.224CC..Hα-helixtrans-54.2-55.6-168.8-177.1-88.8000113.2V202 Q203 K204 Q209 F210 V211 V300 A302V202-Y207 HydrophobicContact CB-CD2 4.06Å; V202-Y207 HydrophobicContact CG1-CD2 4.44Å; Q203-Y207 PolarHBondContact O-N 3.45Å; K204-Y207 PolarHBondContact O-N 2.96Å; Y207-Q209 PolarHBondContact O-N 3.47Å; Y207-F210 PolarHBondContact O-N 2.84Å; Y207-V211 HydrophobicContact CD1-CG2 4.21Å; Y207-V211 HydrophobicContact CD2-CG2 4.47Å; Y207-V211 HydrophobicContact CE1-CG2 3.88Å; Y207-V211 HydrophobicContact CE2-CG2 4.16Å; Y207-V211 HydrophobicContact CG-CG2 4.49Å; Y207-V211 WeakPolarHBondContact O-CB 3.48Å; Y207-V211 WeakPolarHBondContact O-CG2 3.28Å; Y207-V211 PolarHBondContact O-N 3.22Å; Y207-V300 HydrophobicContact CE2-CG1 3.85Å; Y207-A302 HydrophobicContact CD2-CB 3.58Å; Y207-A302 HydrophobicContact CE2-CB 3.73Å; Y207-A302 HydrophobicContact CG-CB 4.37Å
208D98.3Very high98.4Very high117 Ų11742.4 Ų42.463%0.62622%0.224SC*.Hα-helixtrans-63.4-42.4-177.4-68.5-23.5000111.7I206 F210 N212I206-D208 PolarHBondContact O-N 3.01Å; D208-F210 PolarHBondContact O-N 3.16Å; D208-N212 WeakPolarHBondContact O-CB 2.99Å; D208-N212 PolarHBondContact O-N 2.8Å; D208-N212 PolarHBondContact O-ND2 2.77Å
209Q98.4Very high98.4Very high93 Ų9348.8 Ų48.844%0.43525%0.254SS..Hα-helixtrans-62.5-44.2178.2179.5178.23.500111.3L175 I206 Y207 R213L175-Q209 HydrophobicContact CD1-CG 3.88Å; L175-Q209 VanDerWaalsContact CD1-NE2 3.33Å; I206-Q209 PolarHBondContact O-N 3.27Å; Y207-Q209 PolarHBondContact O-N 3.47Å; Q209-R213 WeakPolarHBondContact O-CG 3.36Å; Q209-R213 PolarHBondContact O-N 3.24Å
210F98.7Very high98.4Very high0 Ų052 Ų520%028%0.281CS..Hα-helixtrans-68.4-47.5-179.7179.1-90.7000111.5V169 L175 A178 V179 I182 I200 V202 I206 Y207 D208 N212 R213 L214V169-F210 HydrophobicContact CB-CE2 4.42Å; V169-F210 HydrophobicContact CG1-CD2 4Å; V169-F210 HydrophobicContact CG1-CE2 4.04Å; V169-F210 HydrophobicContact CG2-CD2 4.48Å; V169-F210 HydrophobicContact CG2-CE2 3.84Å; V169-F210 HydrophobicContact CG2-CZ 3.87Å; L175-F210 HydrophobicContact CD2-CD2 4.16Å; A178-F210 HydrophobicContact CB-CE2 4.13Å; V179-F210 HydrophobicContact CG2-CD2 3.78Å; V179-F210 HydrophobicContact CG2-CE2 3.59Å; V179-F210 HydrophobicContact CG2-CZ 4.33Å; I182-F210 HydrophobicContact CD1-CE2 4.26Å; I182-F210 HydrophobicContact CD1-CZ 3.66Å; I200-F210 HydrophobicContact CG2-CE1 3.92Å; I200-F210 HydrophobicContact CG2-CZ 4.23Å; V202-F210 HydrophobicContact CB-CD1 4.4Å; V202-F210 HydrophobicContact CG1-CB 3.95Å; V202-F210 HydrophobicContact CG1-CD1 4.05Å; V202-F210 HydrophobicContact CG1-CG 4.05Å; V202-F210 HydrophobicContact CG2-CD1 3.46Å; V202-F210 VanDerWaalsContact CG2-CD1 3.46Å; V202-F210 HydrophobicContact CG2-CE1 3.62Å; V202-F210 HydrophobicContact CG2-CG 4.22Å; I206-F210 WeakPolarHBondContact O-CB 3.49Å; I206-F210 PolarHBondContact O-N 3.34Å; Y207-F210 PolarHBondContact O-N 2.84Å; D208-F210 PolarHBondContact O-N 3.16Å; F210-N212 VanDerWaalsContact C-N 3.34Å; F210-N212 PolarHBondContact O-N 3.46Å; F210-R213 PolarHBondContact O-N 2.96Å; F210-L214 HydrophobicContact CE1-CB 4.28Å; F210-L214 HydrophobicContact CE1-CD2 3.82Å; F210-L214 HydrophobicContact CZ-CD2 4.41Å; F210-L214 VanDerWaalsContact O-CB 3.29Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.33Å
211V98.4Very high98.3Very high10 Ų1053 Ų536%0.06129%0.286CS..Hα-helixtrans-61.9-40.7-179.4165.80000111.8Y207 L214 G215 L278 L280 V300Y207-V211 HydrophobicContact CD1-CG2 4.21Å; Y207-V211 HydrophobicContact CD2-CG2 4.47Å; Y207-V211 HydrophobicContact CE1-CG2 3.88Å; Y207-V211 HydrophobicContact CE2-CG2 4.16Å; Y207-V211 HydrophobicContact CG-CG2 4.49Å; Y207-V211 WeakPolarHBondContact O-CB 3.48Å; Y207-V211 WeakPolarHBondContact O-CG2 3.28Å; Y207-V211 PolarHBondContact O-N 3.22Å; V211-L214 PolarHBondContact O-N 2.83Å; V211-G215 PolarHBondContact O-N 3.41Å; V211-L278 HydrophobicContact CG1-CD2 4.47Å; V211-L280 HydrophobicContact CB-CD2 4.45Å; V211-L280 HydrophobicContact CG1-CD1 3.62Å; V211-L280 HydrophobicContact CG1-CD2 3.51Å; V211-L280 HydrophobicContact CG1-CG 4.22Å; V211-L280 HydrophobicContact CG2-CD2 4.02Å; V211-V300 HydrophobicContact CG2-CG1 4.03Å
212N98.5Very high98.1Very high102 Ų10257.7 Ų57.755%0.54531%0.308SS..Hα-helixtrans-62.1-48.6176-72.9-28.2000111.4D208 F210 L214 G215 E216D208-N212 WeakPolarHBondContact O-CB 2.99Å; D208-N212 PolarHBondContact O-N 2.8Å; D208-N212 PolarHBondContact O-ND2 2.77Å; F210-N212 VanDerWaalsContact C-N 3.34Å; F210-N212 PolarHBondContact O-N 3.46Å; N212-L214 PolarHBondContact O-N 3.22Å; N212-G215 PolarHBondContact O-N 3.44Å; N212-E216 WeakPolarHBondContact O-CG 3.13Å; N212-E216 PolarHBondContact O-N 2.94Å
213R98.6Very high97.9Very high122 Ų12260.5 Ų60.546%0.4632%0.321SS..Hα-helixtrans-64.6-39178.2-70.7177-176.9-101.31.2112.6V179 Q209 F210 A217V179-R213 HydrophobicContact CG2-CB 3.95Å; Q209-R213 WeakPolarHBondContact O-CG 3.36Å; Q209-R213 PolarHBondContact O-N 3.24Å; F210-R213 PolarHBondContact O-N 2.96Å; R213-A217 VanDerWaalsContact O-CB 3.28Å; R213-A217 WeakPolarHBondContact O-CB 3.34Å; R213-A217 PolarHBondContact O-N 3.26Å
214L98.4Very high97.7Very high0 Ų059.6 Ų59.60%032%0.32CS..Hα-helixtrans-62.6-45.9175-179.863.4000110.6I182 V183 F210 V211 N212 A217 M218 L278 L298 V300I182-L214 HydrophobicContact CG2-CD1 4.07Å; V183-L214 HydrophobicContact CG2-CD1 3.53Å; F210-L214 HydrophobicContact CE1-CB 4.28Å; F210-L214 HydrophobicContact CE1-CD2 3.82Å; F210-L214 HydrophobicContact CZ-CD2 4.41Å; F210-L214 VanDerWaalsContact O-CB 3.29Å; F210-L214 WeakPolarHBondContact O-CB 3.42Å; F210-L214 PolarHBondContact O-N 3.33Å; V211-L214 PolarHBondContact O-N 2.83Å; N212-L214 PolarHBondContact O-N 3.22Å; L214-A217 PolarHBondContact O-N 3.03Å; L214-M218 HydrophobicContact CD1-CG 4.18Å; L214-M218 HydrophobicContact CD1-SD 4.14Å; L214-M218 HydrophobicContact CG-CG 4.45Å; L214-M218 HydrophobicContact CG-SD 4.06Å; L214-M218 WeakPolarHBondContact O-CB 3.17Å; L214-M218 VanDerWaalsContact O-CG 3.25Å; L214-M218 WeakPolarHBondContact O-CG 3.12Å; L214-M218 PolarHBondContact O-N 3.25Å; L214-L278 HydrophobicContact CD2-CD1 3.7Å; L214-L278 HydrophobicContact CG-CD1 4.28Å; L214-L298 HydrophobicContact CD1-CD1 4.11Å; L214-L298 HydrophobicContact CD2-CD1 4.35Å; L214-V300 HydrophobicContact CD2-CG2 4.04Å
215G98.3Very high97.5Very high15 Ų1556.8 Ų56.816%0.15531%0.31CS..Hα-helixtrans-61-47.4177.200000112.8V211 N212 M218 Q219V211-G215 PolarHBondContact O-N 3.41Å; N212-G215 PolarHBondContact O-N 3.44Å; G215-M218 PolarHBondContact O-N 3.42Å; G215-Q219 VanDerWaalsContact O-CB 3.29Å; G215-Q219 WeakPolarHBondContact O-CB 3.13Å; G215-Q219 PolarHBondContact O-N 3.46Å
216E98.4Very high97.3Very high131 Ų13155.1 Ų55.161%0.61229%0.288SS*.Hα-helixtrans-58.2-48.2175.3-73.6172.9-177.500111.6N212 Q219 A220N212-E216 WeakPolarHBondContact O-CG 3.13Å; N212-E216 PolarHBondContact O-N 2.94Å; E216-Q219 PolarHBondContact O-N 2.93Å; E216-A220 PolarHBondContact O-N 3.01Å; E216-A220 VanDerWaalsContact O-N 3.14Å
217A98Very high96.9Very high33 Ų3358.5 Ų58.527%0.27332%0.318SS..Hα-helixtrans-64.7-43.4179.900000111.9V179 V183 R213 L214 Q219 A220 V221V179-A217 HydrophobicContact CG1-CB 3.81Å; V183-A217 HydrophobicContact CG2-CB 3.84Å; R213-A217 VanDerWaalsContact O-CB 3.28Å; R213-A217 WeakPolarHBondContact O-CB 3.34Å; R213-A217 PolarHBondContact O-N 3.26Å; L214-A217 PolarHBondContact O-N 3.03Å; A217-Q219 VanDerWaalsContact C-N 3.35Å; A217-Q219 PolarHBondContact O-N 3.4Å; A217-A220 PolarHBondContact O-N 3.25Å; A217-V221 WeakPolarHBondContact O-CG2 3.41Å
218M97.9Very high96.7Very high3 Ų364 Ų642%0.01535%0.346CS..Hα-helixtrans-65.2-36.5175.6-71.9-17775.700112.5V183 L214 G215 A220 V221 L262 P276 T277 L278 L298V183-M218 HydrophobicContact CG2-CG 4.02Å; L214-M218 HydrophobicContact CD1-CG 4.18Å; L214-M218 HydrophobicContact CD1-SD 4.14Å; L214-M218 HydrophobicContact CG-CG 4.45Å; L214-M218 HydrophobicContact CG-SD 4.06Å; L214-M218 WeakPolarHBondContact O-CB 3.17Å; L214-M218 VanDerWaalsContact O-CG 3.25Å; L214-M218 WeakPolarHBondContact O-CG 3.12Å; L214-M218 PolarHBondContact O-N 3.25Å; G215-M218 PolarHBondContact O-N 3.42Å; M218-A220 VanDerWaalsContact C-N 3.28Å; M218-A220 PolarHBondContact O-N 3.09Å; M218-V221 WeakPolarHBondContact O-CB 3.29Å; M218-V221 PolarHBondContact O-N 2.92Å; M218-L262 HydrophobicContact CB-CD2 3.54Å; M218-P276 HydrophobicContact CB-CB 4.14Å; M218-P276 HydrophobicContact CE-CB 3.77Å; M218-T277 WeakPolarHBondContact CE-O 3.25Å; M218-L278 HydrophobicContact CE-CB 4.47Å; M218-L278 HydrophobicContact SD-CB 4.04Å; M218-L278 HydrophobicContact SD-CD1 4.18Å; M218-L298 HydrophobicContact CE-CB 4.43Å; M218-L298 HydrophobicContact CE-CD1 4.24Å; M218-L298 HydrophobicContact CE-CG 4.38Å; M218-L298 HydrophobicContact SD-CB 4.42Å; M218-L298 HydrophobicContact SD-CD1 3.86Å; M218-L298 HydrophobicContact SD-CG 4.48Å
219Q97.7Very high96.4Very high136 Ų13662.5 Ų62.564%0.63633%0.331SS*.Hα-helixtrans-66.9-31178.4-174.6175.420.100112.2G215 E216 A217 V221 L262G215-Q219 VanDerWaalsContact O-CB 3.29Å; G215-Q219 WeakPolarHBondContact O-CB 3.13Å; G215-Q219 PolarHBondContact O-N 3.46Å; E216-Q219 PolarHBondContact O-N 2.93Å; A217-Q219 VanDerWaalsContact C-N 3.35Å; A217-Q219 PolarHBondContact O-N 3.4Å; Q219-V221 VanDerWaalsContact C-N 3.27Å; Q219-V221 PolarHBondContact O-N 3.28Å; Q219-L262 HydrophobicContact CB-CD1 3.97Å; Q219-L262 HydrophobicContact CB-CD2 4.02Å; Q219-L262 HydrophobicContact CG-CD1 4.01Å
220A97.2Very high95.9Very high67 Ų6763.7 Ų63.755%0.55434%0.34SS*.Hα-helixtrans-73-17.6178.600000113.6E216 A217 M218 Q222E216-A220 PolarHBondContact O-N 3.01Å; E216-A220 VanDerWaalsContact O-N 3.14Å; A217-A220 PolarHBondContact O-N 3.25Å; M218-A220 VanDerWaalsContact C-N 3.28Å; M218-A220 PolarHBondContact O-N 3.09Å; A220-Q222 PolarHBondContact O-N 3.5Å; A220-Q222 PolarHBondContact O-NE2 3.2Å
221V96.5Very high95.5Very high20 Ų2067.6 Ų67.612%0.12136%0.361CS..  trans-65.4117.3-174.9176.40000110.7V183 V187 A217 M218 Q219 A233 M234 P276V183-V221 HydrophobicContact CG1-CG2 3.99Å; V187-V221 HydrophobicContact CB-CG1 4.2Å; V187-V221 HydrophobicContact CG1-CG1 3.95Å; V187-V221 HydrophobicContact CG1-CG2 3.93Å; A217-V221 WeakPolarHBondContact O-CG2 3.41Å; M218-V221 WeakPolarHBondContact O-CB 3.29Å; M218-V221 PolarHBondContact O-N 2.92Å; Q219-V221 VanDerWaalsContact C-N 3.27Å; Q219-V221 PolarHBondContact O-N 3.28Å; V221-A233 HydrophobicContact CG1-CB 4.18Å; V221-M234 HydrophobicContact CG1-CB 4.46Å; V221-M234 HydrophobicContact CG1-CG 4.2Å; V221-M234 HydrophobicContact CG1-SD 3.82Å; V221-P276 HydrophobicContact CB-CG 3.81Å; V221-P276 HydrophobicContact CG1-CG 3.92Å; V221-P276 HydrophobicContact CG2-CG 4.47Å
222Q95.1Very high95.3Very high99 Ų9967.1 Ų67.146%0.46336%0.358SS..  trans-84.9138.6175.7-60.8-60.1-60.200110.9A220 I232 A233 M234A220-Q222 PolarHBondContact O-N 3.5Å; A220-Q222 PolarHBondContact O-NE2 3.2Å; Q222-I232 HydrophobicContact CB-CG2 4.13Å; Q222-A233 PolarHBondContact O-N 3.42Å; Q222-M234 PolarHBondContact O-N 2.92Å
223F95.3Very high95.1Very high60 Ų6062.9 Ų62.926%0.26334%0.337SS..BIsolated β-bridgetrans-135.1159.8175.863-94.6000111.7M234 V267 Y273 P275F223-M234 CarbonylContact C-O 3.55Å; F223-M234 WeakPolarHBondContact CA-O 3.22Å; F223-M234 HydrophobicContact CB-CB 3.48Å; F223-M234 VanDerWaalsContact CB-CB 3.48Å; F223-M234 VanDerWaalsContact CB-O 3.3Å; F223-M234 WeakPolarHBondContact CB-O 3.19Å; F223-V267 HydrophobicContact CE2-CG2 3.71Å; F223-V267 HydrophobicContact CZ-CG2 3.86Å; F223-Y273 HydrophobicContact CD2-CD1 4.22Å; F223-P275 HydrophobicContact CE1-CB 3.84Å; F223-P275 HydrophobicContact CZ-CB 4.07Å
224G95Very high94.9Very high13 Ų1357.1 Ų57.113%0.13432%0.315CS..SBendtrans165.3-162.2-179.400000113.2P226 I232 M234 Y273G224-P226 WeakPolarHBondContact O-CD 3.24Å; G224-I232 WeakPolarHBondContact O-CD1 3.23Å; G224-M234 PolarHBondContact N-O 3.49Å; G224-Y273 VanDerWaalsContact O-CE1 3.24Å; G224-Y273 WeakPolarHBondContact O-CE1 3.26Å; G224-Y273 PolarHBondContact O-OH 3.18Å
225N94.3Very high94.8Very high53 Ų5357.4 Ų57.428%0.28332%0.318SS..  trans-76.7111.5178.8-175.7-0.5000110.9A227 E228 R229 Y273N225-A227 PolarHBondContact O-N 3.19Å; N225-A227 WeakPolarHBondContact OD1-CB 3.42Å; N225-A227 PolarHBondContact OD1-N 3.09Å; N225-E228 HydrophobicContact CB-CB 4.28Å; N225-E228 HydrophobicContact CB-CG 4.32Å; N225-E228 VanDerWaalsContact ND2-CD 3.26Å; N225-E228 PolarHBondContact ND2-OE1 3.38Å; N225-E228 PolarHBondContact O-N 3.43Å; N225-R229 PolarHBondContact O-N 3.17Å; N225-Y273 VanDerWaalsContact CA-OH 3.26Å; N225-Y273 WeakPolarHBondContact CA-OH 3.36Å; N225-Y273 PolarHBondContact N-OH 3.3Å
226P92.9Very high94.7Very high28 Ų2858.7 Ų58.718%0.18232%0.324CS..THydrogen-bonded Turntrans-66.4-17.7-179.826.8-34000113.2I6 Q7 G224 E228 I232I6-P226 HydrophobicContact CB-CB 4.13Å; I6-P226 HydrophobicContact CD1-CB 4.21Å; I6-P226 HydrophobicContact CG2-CB 3.78Å; I6-P226 HydrophobicContact CG2-CG 4.32Å; Q7-P226 PolarHBondContact NE2-O 3.42Å; G224-P226 WeakPolarHBondContact O-CD 3.24Å; P226-E228 VanDerWaalsContact C-N 3.26Å; P226-E228 PolarHBondContact O-N 3.39Å; P226-I232 HydrophobicContact CB-CD1 4.45Å
227A91.1Very high94.7Very high85 Ų8552.6 Ų52.670%0.70230%0.296SS*.THydrogen-bonded Turntrans-74.2-17.5173.700000113.1N225N225-A227 PolarHBondContact O-N 3.19Å; N225-A227 WeakPolarHBondContact OD1-CB 3.42Å; N225-A227 PolarHBondContact OD1-N 3.09Å
228E93.1Very high94.6Very high158 Ų15853.2 Ų53.274%0.73829%0.294SS*.THydrogen-bonded Turntrans-109.6-27.4-178.4-69167.5-15600112.6N225 P226N225-E228 HydrophobicContact CB-CB 4.28Å; N225-E228 HydrophobicContact CB-CG 4.32Å; N225-E228 VanDerWaalsContact ND2-CD 3.26Å; N225-E228 PolarHBondContact ND2-OE1 3.38Å; N225-E228 PolarHBondContact O-N 3.43Å; P226-E228 VanDerWaalsContact C-N 3.26Å; P226-E228 PolarHBondContact O-N 3.39Å
229R92.2Very high94.6Very high85 Ų8554.2 Ų54.232%0.32130%0.3SS..  trans-128.6131.3-175.3-73.9-176.965.5-170.83.1111.2N225 D231 I232N225-R229 PolarHBondContact O-N 3.17Å; R229-D231 WeakPolarHBondContact CB-OD1 3.09Å; R229-D231 IonicContact CZ-OD1 3.88Å; R229-D231 IonicContact CZ-OD2 3.23Å; R229-D231 IonicContact NE-OD1 3.45Å; R229-D231 PolarHBondContact NE-OD1 3.49Å; R229-D231 IonicContact NE-OD2 2.81Å; R229-D231 IonicContact NH2-OD1 3.1Å; R229-D231 PolarHBondContact NH2-OD1 3.26Å; R229-D231 IonicContact NH2-OD2 2.71Å; R229-D231 PolarHBondContact NH2-OD2 2.85Å; R229-I232 HydrophobicContact CB-CD1 4.13Å; R229-I232 HydrophobicContact CB-CG1 4.13Å; R229-I232 HydrophobicContact CB-CG2 4.08Å
230N89.1Confident94.6Very high117 Ų11750.1 Ų50.163%0.62629%0.289SS*.SBendtrans-104.51.5177.466.5-9.2000113.5N5 Q7N5-N230 WeakPolarHBondContact CB-O 3.33Å; N5-N230 PolarHBondContact ND2-O 2.97Å; N5-N230 VanDerWaalsContact ND2-O 3.09Å; Q7-N230 HydrophobicContact CG-CB 4.45Å
231D90.2Very high94.6Very high82 Ų8248.9 Ų48.944%0.43928%0.279SS..SBendtrans-1057.7-176.569.5-46.2000113.5R229R229-D231 WeakPolarHBondContact CB-OD1 3.09Å; R229-D231 IonicContact CZ-OD1 3.88Å; R229-D231 IonicContact CZ-OD2 3.23Å; R229-D231 IonicContact NE-OD1 3.45Å; R229-D231 PolarHBondContact NE-OD1 3.49Å; R229-D231 IonicContact NE-OD2 2.81Å; R229-D231 IonicContact NH2-OD1 3.1Å; R229-D231 PolarHBondContact NH2-OD1 3.26Å; R229-D231 IonicContact NH2-OD2 2.71Å; R229-D231 PolarHBondContact NH2-OD2 2.85Å
232I94.1Very high94.7Very high1 Ų148.2 Ų48.21%0.00528%0.275CS..  trans-103.2143.5-176.455.1171.8000112N5 I6 Q222 G224 P226 R229N5-I232 VanDerWaalsContact CA-O 3.28Å; N5-I232 WeakPolarHBondContact CA-O 3.14Å; I6-I232 PolarHBondContact N-O 2.83Å; I6-I232 VanDerWaalsContact N-O 3.14Å; Q222-I232 HydrophobicContact CB-CG2 4.13Å; G224-I232 WeakPolarHBondContact O-CD1 3.23Å; P226-I232 HydrophobicContact CB-CD1 4.45Å; R229-I232 HydrophobicContact CB-CD1 4.13Å; R229-I232 HydrophobicContact CB-CG1 4.13Å; R229-I232 HydrophobicContact CB-CG2 4.08Å
233A93Very high94.9Very high12 Ų1244.6 Ų44.610%0.09926%0.259CS..SBendtrans-90.5-22.3179.800000114.5N4 V221 Q222N4-A233 HydrophobicContact CB-CB 4.32Å; N4-A233 WeakPolarHBondContact O-CA 3.5Å; N4-A233 WeakPolarHBondContact O-CB 3.5Å; V221-A233 HydrophobicContact CG1-CB 4.18Å; Q222-A233 PolarHBondContact O-N 3.42Å
234M95.7Very high95Very high1 Ų146.8 Ų46.81%0.00527%0.27CS..BIsolated β-bridgetrans-129.8142.6-175.2-90.41786200112.9V187 V221 Q222 F223 G224 Y274 P276 P296V187-M234 HydrophobicContact CB-CG 3.76Å; V187-M234 HydrophobicContact CB-SD 3.6Å; V187-M234 VanDerWaalsContact CB-SD 3.6Å; V187-M234 HydrophobicContact CG1-CG 4.49Å; V187-M234 HydrophobicContact CG1-SD 3.69Å; V187-M234 WeakPolarHBondContact O-CG 3.5Å; V221-M234 HydrophobicContact CG1-CB 4.46Å; V221-M234 HydrophobicContact CG1-CG 4.2Å; V221-M234 HydrophobicContact CG1-SD 3.82Å; Q222-M234 PolarHBondContact O-N 2.92Å; F223-M234 CarbonylContact C-O 3.55Å; F223-M234 WeakPolarHBondContact CA-O 3.22Å; F223-M234 HydrophobicContact CB-CB 3.48Å; F223-M234 VanDerWaalsContact CB-CB 3.48Å; F223-M234 VanDerWaalsContact CB-O 3.3Å; F223-M234 WeakPolarHBondContact CB-O 3.19Å; G224-M234 PolarHBondContact N-O 3.49Å; M234-Y274 WeakPolarHBondContact CE-O 3.36Å; M234-P276 HydrophobicContact CE-CG 4.29Å; M234-P276 HydrophobicContact SD-CG 3.79Å; M234-P296 HydrophobicContact CE-CB 3.39Å; M234-P296 HydrophobicContact CE-CG 3.52Å; M234-P296 HydrophobicContact SD-CB 4.08Å
235G95.6Very high95.1Very high6 Ų651.9 Ų51.96%0.06229%0.285CS..  trans-117.1-166.9-177.300000109.4I6 S190I6-G235 VanDerWaalsContact CD1-CA 3.44Å; S190-G235 PolarHBondContact OG-N 2.92Å; S190-G235 PolarHBondContact OG-O 3.34Å
236P96.8Very high95.4Very high43 Ų4349.5 Ų49.528%0.27927%0.272SS..  trans-73.2156.8173.133-34.3000110.7Y273P236-Y273 HydrophobicContact CB-CD1 4.06Å; P236-Y273 HydrophobicContact CB-CE1 3.79Å; P236-Y273 HydrophobicContact CG-CE1 4.19Å; P236-Y273 VanDerWaalsContact N-CE1 3.34Å
237L98Very high95.6Very high2 Ų251.9 Ų51.91%0.0128%0.281CS..  trans-62.3156.3157.6-64.9170.3000109.6Q192 N239 A242 L243 V246 Y272Q192-L237 HydrophobicContact CG-CD2 3.79Å; L237-N239 VanDerWaalsContact C-N 3.27Å; L237-N239 PolarHBondContact O-N 2.71Å; L237-N239 VanDerWaalsContact O-N 3.16Å; L237-A242 HydrophobicContact CB-CB 4.13Å; L237-L243 HydrophobicContact CD1-CB 4.18Å; L237-L243 HydrophobicContact CD1-CD1 3.92Å; L237-V246 HydrophobicContact CD1-CB 4.32Å; L237-V246 HydrophobicContact CD1-CG2 3.92Å; L237-Y272 WeakPolarHBondContact CB-O 3.44Å; L237-Y272 PolarHBondContact N-O 3.09Å; L237-Y272 WeakPolarHBondContact O-CB 3.36Å
238I96.9Very high96Very high46 Ų4653 Ų5324%0.23627%0.272CS..SBendtrans-58.4-35.5-169.7-173.361.2000114W61 F89 T90 A242W61-I238 HydrophobicContact CB-CD1 4.34Å; W61-I238 HydrophobicContact CB-CG1 4.44Å; W61-I238 HydrophobicContact CD2-CB 3.91Å; W61-I238 HydrophobicContact CD2-CD1 4.15Å; W61-I238 HydrophobicContact CD2-CG1 3.65Å; W61-I238 HydrophobicContact CD2-CG2 4.04Å; W61-I238 HydrophobicContact CE3-CB 3.68Å; W61-I238 HydrophobicContact CE3-CD1 3.9Å; W61-I238 HydrophobicContact CE3-CG1 3.72Å; W61-I238 HydrophobicContact CE3-CG2 4.17Å; W61-I238 HydrophobicContact CG-CD1 4.34Å; W61-I238 HydrophobicContact CG-CG1 3.96Å; W61-I238 HydrophobicContact CH2-CB 3.84Å; W61-I238 HydrophobicContact CH2-CG2 3.6Å; W61-I238 HydrophobicContact CZ2-CB 4.08Å; W61-I238 HydrophobicContact CZ2-CG2 3.46Å; W61-I238 VanDerWaalsContact CZ2-CG2 3.46Å; W61-I238 HydrophobicContact CZ3-CB 3.66Å; W61-I238 HydrophobicContact CZ3-CG1 4.25Å; W61-I238 HydrophobicContact CZ3-CG2 3.98Å; F89-I238 HydrophobicContact CB-CD1 4.18Å; F89-I238 HydrophobicContact CB-CG1 4.04Å; F89-I238 HydrophobicContact CG-CG1 4.34Å; T90-I238 HydrophobicContact CG2-CD1 4.03Å; I238-A242 HydrophobicContact CG2-CB 3.84Å
239N97.2Very high96.2Very high25 Ų2547.5 Ų47.513%0.13425%0.245CC..SBendtrans-159.3172.5-177.860.538.6000112.3F89 L237 A241 A242 L243 Y272F89-N239 VanDerWaalsContact CE1-ND2 3.28Å; F89-N239 WeakPolarHBondContact CE1-ND2 3.44Å; F89-N239 VanDerWaalsContact CZ-ND2 3.31Å; F89-N239 WeakPolarHBondContact CZ-ND2 3.28Å; L237-N239 VanDerWaalsContact C-N 3.27Å; L237-N239 PolarHBondContact O-N 2.71Å; L237-N239 VanDerWaalsContact O-N 3.16Å; N239-A241 VanDerWaalsContact C-N 3.3Å; N239-A241 PolarHBondContact O-N 3.23Å; N239-A241 PolarHBondContact OD1-N 2.75Å; N239-A242 WeakPolarHBondContact O-CB 3.31Å; N239-A242 PolarHBondContact O-N 3.44Å; N239-A242 VanDerWaalsContact O-N 3.11Å; N239-A242 PolarHBondContact OD1-N 3Å; N239-L243 PolarHBondContact O-N 3.5Å; N239-Y272 VanDerWaalsContact CA-CD2 3.41Å; N239-Y272 HydrophobicContact CB-CE2 4.49Å
240A97.4Very high96.5Very high50 Ų5043.7 Ų43.741%0.41323%0.231SC..Hα-helixtrans-56.4-40.3178.300000113.2A242 L243 E244 Y272A240-A242 VanDerWaalsContact C-N 3.28Å; A240-A242 PolarHBondContact O-N 2.85Å; A240-L243 WeakPolarHBondContact O-CB 3.4Å; A240-L243 PolarHBondContact O-N 3.04Å; A240-E244 WeakPolarHBondContact O-CB 3.29Å; A240-E244 PolarHBondContact O-N 3.17Å; A240-Y272 HydrophobicContact CB-CD1 4.12Å; A240-Y272 HydrophobicContact CB-CE1 3.59Å
241A97.6Very high97Very high41 Ų4141 Ų4134%0.33923%0.226SC..Hα-helixtrans-67-30179.500000112.4N239 R245N239-A241 VanDerWaalsContact C-N 3.3Å; N239-A241 PolarHBondContact O-N 3.23Å; N239-A241 PolarHBondContact OD1-N 2.75Å; A241-R245 VanDerWaalsContact O-CG 3.28Å; A241-R245 WeakPolarHBondContact O-CG 3.42Å; A241-R245 PolarHBondContact O-N 3.03Å; A241-R245 PolarHBondContact O-NH1 2.58Å
242A98Very high97.4Very high5 Ų542.1 Ų42.14%0.04122%0.224CC..Hα-helixtrans-69.1-43.6172.100000111.4L237 I238 N239 A240 R245 V246L237-A242 HydrophobicContact CB-CB 4.13Å; I238-A242 HydrophobicContact CG2-CB 3.84Å; N239-A242 WeakPolarHBondContact O-CB 3.31Å; N239-A242 PolarHBondContact O-N 3.44Å; N239-A242 VanDerWaalsContact O-N 3.11Å; N239-A242 PolarHBondContact OD1-N 3Å; A240-A242 VanDerWaalsContact C-N 3.28Å; A240-A242 PolarHBondContact O-N 2.85Å; A242-R245 PolarHBondContact O-N 2.76Å; A242-V246 WeakPolarHBondContact O-CG2 3.49Å; A242-V246 PolarHBondContact O-N 2.87Å; A242-V246 VanDerWaalsContact O-N 3.15Å
243L98.5Very high97.6Very high23 Ų2342.1 Ų42.112%0.1222%0.223CC..Hα-helixtrans-58.6-50.6174.9-176.968.3000111.9L237 N239 A240 R245 V246 E247 A266 Y272 Y274L237-L243 HydrophobicContact CD1-CB 4.18Å; L237-L243 HydrophobicContact CD1-CD1 3.92Å; N239-L243 PolarHBondContact O-N 3.5Å; A240-L243 WeakPolarHBondContact O-CB 3.4Å; A240-L243 PolarHBondContact O-N 3.04Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 3.01Å; L243-V246 PolarHBondContact O-N 3.37Å; L243-V246 VanDerWaalsContact O-N 3.11Å; L243-E247 PolarHBondContact O-N 3.22Å; L243-A266 HydrophobicContact CD1-CB 3.82Å; L243-A266 HydrophobicContact CD2-CB 4.07Å; L243-A266 HydrophobicContact CG-CB 4.2Å; L243-Y272 HydrophobicContact CD2-CD1 4.46Å; L243-Y274 HydrophobicContact CD1-CD2 3.84Å; L243-Y274 HydrophobicContact CD1-CG 4.34Å
244E98.2Very high97.9Very high107 Ų10744.8 Ų44.850%0.524%0.238SC..Hα-helixtrans-58.1-42.7179.6-175.3-174.9179.900111.7A240 V246 E247 Q248A240-E244 WeakPolarHBondContact O-CB 3.29Å; A240-E244 PolarHBondContact O-N 3.17Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 3.21Å; E244-E247 PolarHBondContact O-N 3.45Å; E244-Q248 HydrophobicContact CG-CG 4.46Å; E244-Q248 WeakPolarHBondContact O-CB 3.31Å; E244-Q248 VanDerWaalsContact O-CG 3.24Å; E244-Q248 WeakPolarHBondContact O-CG 3.38Å; E244-Q248 PolarHBondContact O-N 3.49Å; E244-Q248 PolarHBondContact OE1-NE2 3.5Å
245R98.2Very high98.1Very high120 Ų12052.7 Ų52.745%0.45328%0.276SS..Hα-helixtrans-62.4-40.1176.7-77.7-171.2-53.5-983112.7A241 A242 L243 K249A241-R245 VanDerWaalsContact O-CG 3.28Å; A241-R245 WeakPolarHBondContact O-CG 3.42Å; A241-R245 PolarHBondContact O-N 3.03Å; A241-R245 PolarHBondContact O-NH1 2.58Å; A242-R245 PolarHBondContact O-N 2.76Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 3.01Å; R245-K249 WeakPolarHBondContact O-CB 3.32Å; R245-K249 WeakPolarHBondContact O-CG 3.32Å; R245-K249 PolarHBondContact O-N 3.33Å; R245-K249 VanDerWaalsContact O-N 3.09Å
246V98.6Very high98.2Very high2 Ų254.8 Ų54.81%0.01228%0.284CS..Hα-helixtrans-66.3-45.6177.5173.60000110L237 A242 L243 E244 Q248 K249 V250 Y274 T293 V297L237-V246 HydrophobicContact CD1-CB 4.32Å; L237-V246 HydrophobicContact CD1-CG2 3.92Å; A242-V246 WeakPolarHBondContact O-CG2 3.49Å; A242-V246 PolarHBondContact O-N 2.87Å; A242-V246 VanDerWaalsContact O-N 3.15Å; L243-V246 PolarHBondContact O-N 3.37Å; L243-V246 VanDerWaalsContact O-N 3.11Å; E244-V246 VanDerWaalsContact C-N 3.34Å; E244-V246 PolarHBondContact O-N 3.21Å; V246-Q248 PolarHBondContact O-N 3.19Å; V246-K249 PolarHBondContact O-N 3.1Å; V246-V250 WeakPolarHBondContact O-CG2 3.33Å; V246-V250 PolarHBondContact O-N 2.82Å; V246-Y274 HydrophobicContact CG1-CD1 3.56Å; V246-Y274 HydrophobicContact CG1-CD2 4.09Å; V246-Y274 HydrophobicContact CG1-CE1 3.61Å; V246-Y274 HydrophobicContact CG1-CE2 4.18Å; V246-Y274 HydrophobicContact CG1-CG 3.79Å; V246-T293 HydrophobicContact CG1-CG2 4.46Å; V246-T293 HydrophobicContact CG2-CG2 4.34Å; V246-V297 HydrophobicContact CG1-CG2 3.81Å
247E98.3Very high98.3Very high79 Ų7954.9 Ų54.937%0.36929%0.292SS..Hα-helixtrans-57.7-47.7175.7-78.4-173.112300112.4L243 E244 K249 V250 A251 A266 Y274L243-E247 PolarHBondContact O-N 3.22Å; E244-E247 PolarHBondContact O-N 3.45Å; E247-K249 VanDerWaalsContact C-N 3.33Å; E247-K249 PolarHBondContact O-N 3.02Å; E247-V250 PolarHBondContact O-N 3.33Å; E247-A251 VanDerWaalsContact O-CB 3.29Å; E247-A251 WeakPolarHBondContact O-CB 3.33Å; E247-A251 PolarHBondContact O-N 2.76Å; E247-A266 HydrophobicContact CG-CB 4.33Å; E247-A266 WeakPolarHBondContact OE1-CB 3.46Å; E247-Y274 HydrophobicContact CG-CD2 4.1Å; E247-Y274 HydrophobicContact CG-CE2 3.59Å
248Q98.6Very high98.3Very high107 Ų10755 Ų5550%0.529%0.293SS..Hα-helixtrans-59.9-42.3178.2-74.1170.9-1.900111.9E244 V246 A251 R252E244-Q248 HydrophobicContact CG-CG 4.46Å; E244-Q248 WeakPolarHBondContact O-CB 3.31Å; E244-Q248 VanDerWaalsContact O-CG 3.24Å; E244-Q248 WeakPolarHBondContact O-CG 3.38Å; E244-Q248 PolarHBondContact O-N 3.49Å; E244-Q248 PolarHBondContact OE1-NE2 3.5Å; V246-Q248 PolarHBondContact O-N 3.19Å; Q248-A251 PolarHBondContact O-N 3.15Å; Q248-R252 WeakPolarHBondContact O-CB 3.46Å; Q248-R252 PolarHBondContact O-N 3.26Å
249K98.6Very high98.4Very high44 Ų4458.7 Ų58.719%0.19131%0.305CS..Hα-helixtrans-68.3-40.3179.3-76-180173.7-1790112.7R245 V246 E247 A253 I288 E292R245-K249 WeakPolarHBondContact O-CB 3.32Å; R245-K249 WeakPolarHBondContact O-CG 3.32Å; R245-K249 PolarHBondContact O-N 3.33Å; R245-K249 VanDerWaalsContact O-N 3.09Å; V246-K249 PolarHBondContact O-N 3.1Å; E247-K249 VanDerWaalsContact C-N 3.33Å; E247-K249 PolarHBondContact O-N 3.02Å; K249-A253 WeakPolarHBondContact O-CB 3.43Å; K249-A253 PolarHBondContact O-N 2.91Å; K249-I288 HydrophobicContact CB-CD1 4.24Å; K249-E292 PolarHBondContact NZ-O 3.1Å
250V98.8Very high98.5Very high4 Ų460.1 Ų60.12%0.02431%0.314CS..Hα-helixtrans-68.4-43175.8172.30000110.9V246 E247 R252 A253 V254 Y274 T277 L279 V297V246-V250 WeakPolarHBondContact O-CG2 3.33Å; V246-V250 PolarHBondContact O-N 2.82Å; E247-V250 PolarHBondContact O-N 3.33Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 2.75Å; V250-A253 WeakPolarHBondContact O-CB 3.49Å; V250-A253 PolarHBondContact O-N 3.46Å; V250-V254 WeakPolarHBondContact O-CG2 3.45Å; V250-V254 PolarHBondContact O-N 2.85Å; V250-Y274 WeakPolarHBondContact CB-OH 3.18Å; V250-Y274 WeakPolarHBondContact CG1-OH 3.45Å; V250-Y274 HydrophobicContact CG2-CE1 4.22Å; V250-Y274 WeakPolarHBondContact CG2-OH 3.26Å; V250-T277 HydrophobicContact CG1-CG2 4.44Å; V250-T277 HydrophobicContact CG2-CG2 4.43Å; V250-L279 HydrophobicContact CG1-CD2 4.33Å; V250-V297 HydrophobicContact CG2-CB 4.48Å; V250-V297 HydrophobicContact CG2-CG1 3.93Å; V250-V297 HydrophobicContact CG2-CG2 3.69Å
251A98.7Very high98.5Very high61 Ų6160 Ų6050%0.50431%0.313SS..Hα-helixtrans-59.4-44.6176.100000111.7E247 Q248 V254 E255E247-A251 VanDerWaalsContact O-CB 3.29Å; E247-A251 WeakPolarHBondContact O-CB 3.33Å; E247-A251 PolarHBondContact O-N 2.76Å; Q248-A251 PolarHBondContact O-N 3.15Å; A251-V254 PolarHBondContact O-N 2.89Å; A251-E255 PolarHBondContact O-N 2.83Å
252R98.8Very high98.5Very high106 Ų10659.7 Ų59.740%0.431%0.305SS..Hα-helixtrans-62.9-42175.2-177.6173.8174.7-167.7-2.5112.5Q248 V250 V254 E255 E256 S287 E291Q248-R252 WeakPolarHBondContact O-CB 3.46Å; Q248-R252 PolarHBondContact O-N 3.26Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 2.75Å; R252-V254 VanDerWaalsContact C-N 3.26Å; R252-V254 PolarHBondContact O-N 3.49Å; R252-E255 WeakPolarHBondContact O-CB 3.39Å; R252-E255 PolarHBondContact O-N 2.82Å; R252-E256 HydrophobicContact CG-CG 4.4Å; R252-E256 IonicContact CZ-OE1 3.54Å; R252-E256 IonicContact NE-OE1 3.72Å; R252-E256 PolarHBondContact NE-OE1 3.49Å; R252-E256 IonicContact NH2-OE1 2.7Å; R252-E256 PolarHBondContact NH2-OE1 3.17Å; R252-E256 WeakPolarHBondContact O-CB 3.42Å; R252-E256 WeakPolarHBondContact O-CG 3.42Å; R252-E256 PolarHBondContact O-N 2.96Å; R252-S287 WeakPolarHBondContact CD-OG 3.34Å; R252-S287 PolarHBondContact NE-OG 3.08Å; R252-E291 IonicContact CZ-OE1 3.92Å; R252-E291 IonicContact NH1-OE1 3.74Å; R252-E291 PolarHBondContact NH1-OE1 3.32Å; R252-E291 IonicContact NH1-OE2 3.73Å; R252-E291 IonicContact NH2-OE1 3.48Å
253A98.8Very high98.5Very high0 Ų061.2 Ų61.20%032%0.322CS..Hα-helixtrans-58.7-40.5175.800000111.8K249 V250 E256 G257 A258 L279 I288K249-A253 WeakPolarHBondContact O-CB 3.43Å; K249-A253 PolarHBondContact O-N 2.91Å; V250-A253 WeakPolarHBondContact O-CB 3.49Å; V250-A253 PolarHBondContact O-N 3.46Å; A253-E256 PolarHBondContact O-N 3.18Å; A253-G257 PolarHBondContact O-N 3.26Å; A253-A258 HydrophobicContact CB-CB 4.11Å; A253-A258 WeakPolarHBondContact O-CB 3.38Å; A253-A258 PolarHBondContact O-N 3.23Å; A253-L279 HydrophobicContact CB-CD1 3.9Å; A253-I288 HydrophobicContact CB-CB 3.9Å; A253-I288 HydrophobicContact CB-CG1 4.23Å; A253-I288 HydrophobicContact CB-CG2 4.09Å
254V98.7Very high98.4Very high68 Ų6860.9 Ų60.941%0.41232%0.324SS..Hα-helixtrans-66.8-42.2176.3174.40000111.8V250 A251 R252 E256 G257 A258 V260V250-V254 WeakPolarHBondContact O-CG2 3.45Å; V250-V254 PolarHBondContact O-N 2.85Å; A251-V254 PolarHBondContact O-N 2.89Å; R252-V254 VanDerWaalsContact C-N 3.26Å; R252-V254 PolarHBondContact O-N 3.49Å; V254-E256 VanDerWaalsContact C-N 3.26Å; V254-E256 PolarHBondContact O-N 3.31Å; V254-G257 PolarHBondContact O-N 3.17Å; V254-A258 WeakPolarHBondContact CA-O 3.14Å; V254-V260 HydrophobicContact CG2-CG2 3.65Å
255E98.7Very high98.4Very high168 Ų16863.7 Ų63.779%0.78533%0.334SS*.Hα-helixtrans-59.7-37.7173.6-175.2179.7-176.500112A251 R252 G257A251-E255 PolarHBondContact O-N 2.83Å; R252-E255 WeakPolarHBondContact O-CB 3.39Å; R252-E255 PolarHBondContact O-N 2.82Å; E255-G257 PolarHBondContact O-N 3.3Å
256E98.7Very high98.3Very high50 Ų5059.1 Ų59.123%0.23432%0.322CS..THydrogen-bonded Turntrans-76.9-5.7177-68.5174.8179.500113.4R252 A253 V254 R283 M286 S287R252-E256 HydrophobicContact CG-CG 4.4Å; R252-E256 IonicContact CZ-OE1 3.54Å; R252-E256 IonicContact NE-OE1 3.72Å; R252-E256 PolarHBondContact NE-OE1 3.49Å; R252-E256 IonicContact NH2-OE1 2.7Å; R252-E256 PolarHBondContact NH2-OE1 3.17Å; R252-E256 WeakPolarHBondContact O-CB 3.42Å; R252-E256 WeakPolarHBondContact O-CG 3.42Å; R252-E256 PolarHBondContact O-N 2.96Å; A253-E256 PolarHBondContact O-N 3.18Å; V254-E256 VanDerWaalsContact C-N 3.26Å; V254-E256 PolarHBondContact O-N 3.31Å; E256-R283 PolarHBondContact O-NH2 2.88Å; E256-M286 HydrophobicContact CB-CG 4.15Å; E256-M286 HydrophobicContact CB-SD 4.38Å; E256-M286 VanDerWaalsContact O-CE 3.26Å; E256-M286 WeakPolarHBondContact O-CE 3.29Å; E256-M286 WeakPolarHBondContact OE2-CA 3.5Å; E256-M286 WeakPolarHBondContact OE2-CB 3.25Å; E256-S287 PolarHBondContact OE2-N 2.81Å; E256-S287 PolarHBondContact OE2-OG 3.03Å
257G98.5Very high98.2Very high44 Ų4462.1 Ų62.145%0.45434%0.34SS..THydrogen-bonded Turntrans115.61.1170.300000115.9A253 V254 E255A253-G257 PolarHBondContact O-N 3.26Å; V254-G257 PolarHBondContact O-N 3.17Å; E255-G257 PolarHBondContact O-N 3.3Å
258A98.7Very high97.9Very high5 Ų567.6 Ų67.64%0.04137%0.366CS..  trans-68.1145.7175.900000111.3A253 V254 L279 L280 V282 M286A253-A258 HydrophobicContact CB-CB 4.11Å; A253-A258 WeakPolarHBondContact O-CB 3.38Å; A253-A258 PolarHBondContact O-N 3.23Å; V254-A258 WeakPolarHBondContact CA-O 3.14Å; A258-L279 HydrophobicContact CB-CB 4.47Å; A258-L280 WeakPolarHBondContact CA-O 3.26Å; A258-V282 HydrophobicContact CB-CG2 3.95Å; A258-M286 HydrophobicContact CB-SD 4.15Å
259R98.6Very high97.6Very high124 Ų12465.8 Ų65.847%0.46838%0.376SS..EExtended strand (participates in β ladder)trans-103.8129.3174.2-178.3171.253.684.53110.7A261 L279 L280 D281R259-A261 PolarHBondContact O-N 3.2Å; R259-L279 WeakPolarHBondContact O-CA 3.39Å; R259-L280 PolarHBondContact N-O 3.48Å; R259-L280 PolarHBondContact O-N 3.18Å; R259-D281 HydrophobicContact CB-CB 4.46Å; R259-D281 VanDerWaalsContact CB-OD2 3.31Å; R259-D281 WeakPolarHBondContact CB-OD2 3.28Å; R259-D281 IonicContact CZ-OD2 3.48Å; R259-D281 IonicContact NE-OD2 2.99Å; R259-D281 PolarHBondContact NE-OD2 2.71Å; R259-D281 IonicContact NH2-OD1 2.75Å; R259-D281 IonicContact NH2-OD2 3.01Å; R259-D281 PolarHBondContact NH2-OD2 2.9Å
260V98.7Very high97.4Very high54 Ų5473.6 Ų73.633%0.32741%0.41SS..EExtended strand (participates in β ladder)trans-74.3111.9170.1-177.20000109V254 L262 G263 L279V254-V260 HydrophobicContact CG2-CG2 3.65Å; V260-L262 WeakPolarHBondContact CG1-O 3.49Å; V260-G263 WeakPolarHBondContact CG1-O 3.26Å; V260-L279 HydrophobicContact CB-CD2 4.44Å; V260-L279 HydrophobicContact CG2-CD2 3.83Å
261A98.2Very high97.2Very high47 Ų4774.9 Ų74.939%0.38842%0.424SS..EExtended strand (participates in β ladder)trans-88.2-30.9175.100000112.5R259 L278 L280R259-A261 PolarHBondContact O-N 3.2Å; A261-L278 HydrophobicContact CB-CB 4.39Å; A261-L278 HydrophobicContact CB-CD2 4.24Å; A261-L278 HydrophobicContact CB-CG 4.26Å; A261-L278 PolarHBondContact N-O 3.29Å; A261-L280 HydrophobicContact CB-CD1 3.61Å; A261-L280 HydrophobicContact CB-CG 3.81Å
262L97.7Very high97.1Very high36 Ų3676.6 Ų76.619%0.18842%0.418CS..EExtended strand (participates in β ladder)trans-148.7146.9178.8176.871.5000108.9M218 Q219 V260 T277 L278M218-L262 HydrophobicContact CB-CD2 3.54Å; Q219-L262 HydrophobicContact CB-CD1 3.97Å; Q219-L262 HydrophobicContact CB-CD2 4.02Å; Q219-L262 HydrophobicContact CG-CD1 4.01Å; V260-L262 WeakPolarHBondContact CG1-O 3.49Å; L262-T277 VanDerWaalsContact O-CA 3.32Å; L262-T277 WeakPolarHBondContact O-CA 3.44Å; L262-L278 HydrophobicContact CB-CB 4.13Å; L262-L278 PolarHBondContact O-N 3.02Å; L262-L278 VanDerWaalsContact O-N 3.11Å
263G97.9Very high97.1Very high37 Ų3773.1 Ų73.138%0.38141%0.405SS..  trans72-131173.800000113V260V260-G263 WeakPolarHBondContact CG1-O 3.26Å
264G97Very high97.1Very high16 Ų1673.3 Ų73.317%0.16541%0.406CS..  trans86.62.5171.800000116.4Y274 T277G264-Y274 WeakPolarHBondContact CA-OH 3.47Å; G264-Y274 PolarHBondContact O-OH 3.34Å; G264-Y274 VanDerWaalsContact O-OH 3.12Å; G264-T277 PolarHBondContact N-OG1 3.24Å
265K97.3Very high97Very high166 Ų16671 Ų7172%0.72239%0.392SS*.SBendtrans-140.5138.8176.6-65.4-171.7179-175.70111P275K265-P275 WeakPolarHBondContact O-CD 3.21Å; K265-P275 VanDerWaalsContact O-CG 3.29Å; K265-P275 WeakPolarHBondContact O-CG 3.17Å
266A97.3Very high97Very high24 Ų2463.3 Ų63.320%0.19836%0.357CS..PPolyproline II helixtrans-60.3151.3171.900000111.2L243 E247 Y274L243-A266 HydrophobicContact CD1-CB 3.82Å; L243-A266 HydrophobicContact CD2-CB 4.07Å; L243-A266 HydrophobicContact CG-CB 4.2Å; E247-A266 HydrophobicContact CG-CB 4.33Å; E247-A266 WeakPolarHBondContact OE1-CB 3.46Å; A266-Y274 HydrophobicContact CB-CD2 4.12Å
267V95.7Very high97Very high65 Ų6560.9 Ų60.939%0.39435%0.346SS..PPolyproline II helixtrans-80.7127.1175.1-176.70000109.4F223 Y273F223-V267 HydrophobicContact CE2-CG2 3.71Å; F223-V267 HydrophobicContact CZ-CG2 3.86Å; V267-Y273 PolarHBondContact N-O 3.12Å
268E92.9Very high97Very high193 Ų19359 Ų5990%0.90233%0.325SS*.SBendtrans-65142.3175.5-65.2-176-178.800111.4
269G92Very high97Very high70 Ų7058.7 Ų58.772%0.72232%0.323SS*.SBendtrans115.2-152.6174.800000113.8
270K92.9Very high97Very high208 Ų20853.4 Ų53.490%0.90430%0.304SS*.SBendtrans-83.1126.7-173.2-175.7-178.3176.6-173.80111Y273K270-Y273 WeakPolarHBondContact O-CE2 3.38Å
271G95.3Very high97Very high30 Ų3054.9 Ų54.931%0.30931%0.31SS..SBendtrans112-179.8177.900000111.6
272Y97.7Very high97Very high97 Ų9753.1 Ų53.138%0.3829%0.294SS..  trans-11956.6-174.8-51.6-54.4000110.6L237 N239 A240 L243L237-Y272 WeakPolarHBondContact CB-O 3.44Å; L237-Y272 PolarHBondContact N-O 3.09Å; L237-Y272 WeakPolarHBondContact O-CB 3.36Å; N239-Y272 VanDerWaalsContact CA-CD2 3.41Å; N239-Y272 HydrophobicContact CB-CE2 4.49Å; A240-Y272 HydrophobicContact CB-CD1 4.12Å; A240-Y272 HydrophobicContact CB-CE1 3.59Å; L243-Y272 HydrophobicContact CD2-CD1 4.46Å
273Y97.9Very high97.1Very high33 Ų3357.6 Ų57.613%0.12931%0.309CS..  trans-89.6125.7-173.3-59.9-76.5000111.2F223 G224 N225 P236 V267 K270F223-Y273 HydrophobicContact CD2-CD1 4.22Å; G224-Y273 VanDerWaalsContact O-CE1 3.24Å; G224-Y273 WeakPolarHBondContact O-CE1 3.26Å; G224-Y273 PolarHBondContact O-OH 3.18Å; N225-Y273 VanDerWaalsContact CA-OH 3.26Å; N225-Y273 WeakPolarHBondContact CA-OH 3.36Å; N225-Y273 PolarHBondContact N-OH 3.3Å; P236-Y273 HydrophobicContact CB-CD1 4.06Å; P236-Y273 HydrophobicContact CB-CE1 3.79Å; P236-Y273 HydrophobicContact CG-CE1 4.19Å; P236-Y273 VanDerWaalsContact N-CE1 3.34Å; V267-Y273 PolarHBondContact N-O 3.12Å; K270-Y273 WeakPolarHBondContact O-CE2 3.38Å
274Y98.2Very high97.1Very high4 Ų457.1 Ų57.12%0.01630%0.296CS..  trans-119.6120.9168.2-156.6-95.3000108.1M234 L243 V246 E247 V250 G264 A266 T277 P296 V297M234-Y274 WeakPolarHBondContact CE-O 3.36Å; L243-Y274 HydrophobicContact CD1-CD2 3.84Å; L243-Y274 HydrophobicContact CD1-CG 4.34Å; V246-Y274 HydrophobicContact CG1-CD1 3.56Å; V246-Y274 HydrophobicContact CG1-CD2 4.09Å; V246-Y274 HydrophobicContact CG1-CE1 3.61Å; V246-Y274 HydrophobicContact CG1-CE2 4.18Å; V246-Y274 HydrophobicContact CG1-CG 3.79Å; E247-Y274 HydrophobicContact CG-CD2 4.1Å; E247-Y274 HydrophobicContact CG-CE2 3.59Å; V250-Y274 WeakPolarHBondContact CB-OH 3.18Å; V250-Y274 WeakPolarHBondContact CG1-OH 3.45Å; V250-Y274 HydrophobicContact CG2-CE1 4.22Å; V250-Y274 WeakPolarHBondContact CG2-OH 3.26Å; G264-Y274 WeakPolarHBondContact CA-OH 3.47Å; G264-Y274 PolarHBondContact O-OH 3.34Å; G264-Y274 VanDerWaalsContact O-OH 3.12Å; A266-Y274 HydrophobicContact CB-CD2 4.12Å; Y274-T277 HydrophobicContact CE1-CG2 4.4Å; Y274-T277 WeakPolarHBondContact CE1-OG1 3.45Å; Y274-P296 HydrophobicContact CD1-CG 4.16Å; Y274-P296 VanDerWaalsContact O-CG 3.25Å; Y274-P296 WeakPolarHBondContact O-CG 3.42Å; Y274-V297 HydrophobicContact CD1-CG2 4.44Å; Y274-V297 HydrophobicContact CE1-CG2 4.02Å
275P97.6Very high97.1Very high20 Ų2062.1 Ų62.113%0.1332%0.315CS..  trans-68.6158.1-177.329.8-34.8000111.1F223 K265 T277F223-P275 HydrophobicContact CE1-CB 3.84Å; F223-P275 HydrophobicContact CZ-CB 4.07Å; K265-P275 WeakPolarHBondContact O-CD 3.21Å; K265-P275 VanDerWaalsContact O-CG 3.29Å; K265-P275 WeakPolarHBondContact O-CG 3.17Å; P275-T277 PolarHBondContact O-N 2.85Å; P275-T277 VanDerWaalsContact O-N 3.17Å; P275-T277 PolarHBondContact O-OG1 2.62Å
276P98.3Very high97.2Very high6 Ų654.3 Ų54.34%0.03928%0.282CS..  trans-46.4125.5165.6-20.826.7000110.5M218 V221 M234M218-P276 HydrophobicContact CB-CB 4.14Å; M218-P276 HydrophobicContact CE-CB 3.77Å; V221-P276 HydrophobicContact CB-CG 3.81Å; V221-P276 HydrophobicContact CG1-CG 3.92Å; V221-P276 HydrophobicContact CG2-CG 4.47Å; M234-P276 HydrophobicContact CE-CG 4.29Å; M234-P276 HydrophobicContact SD-CG 3.79Å
277T98.8Very high97.3Very high0 Ų053.6 Ų53.60%028%0.275CS..EExtended strand (participates in β ladder)trans-125.9122.9-173.3-64.90000110.3M218 V250 L262 G264 Y274 P275 L279 P296 V297 L298M218-T277 WeakPolarHBondContact CE-O 3.25Å; V250-T277 HydrophobicContact CG1-CG2 4.44Å; V250-T277 HydrophobicContact CG2-CG2 4.43Å; L262-T277 VanDerWaalsContact O-CA 3.32Å; L262-T277 WeakPolarHBondContact O-CA 3.44Å; G264-T277 PolarHBondContact N-OG1 3.24Å; Y274-T277 HydrophobicContact CE1-CG2 4.4Å; Y274-T277 WeakPolarHBondContact CE1-OG1 3.45Å; P275-T277 PolarHBondContact O-N 2.85Å; P275-T277 VanDerWaalsContact O-N 3.17Å; P275-T277 PolarHBondContact O-OG1 2.62Å; T277-L279 HydrophobicContact CG2-CD2 4Å; T277-L279 HydrophobicContact CG2-CG 4.37Å; T277-P296 PolarHBondContact N-O 3.38Å; T277-V297 HydrophobicContact CG2-CG1 4.22Å; T277-V297 CarbonylContact O-C 3.55Å; T277-V297 WeakPolarHBondContact O-CA 3.31Å; T277-L298 PolarHBondContact O-N 3.46Å
278L98.8Very high97.4Very high3 Ų350.6 Ų50.62%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-108.7123.2179-178.962.1000109.3V211 L214 M218 A261 L262 L280 L298 V300V211-L278 HydrophobicContact CG1-CD2 4.47Å; L214-L278 HydrophobicContact CD2-CD1 3.7Å; L214-L278 HydrophobicContact CG-CD1 4.28Å; M218-L278 HydrophobicContact CE-CB 4.47Å; M218-L278 HydrophobicContact SD-CB 4.04Å; M218-L278 HydrophobicContact SD-CD1 4.18Å; A261-L278 HydrophobicContact CB-CB 4.39Å; A261-L278 HydrophobicContact CB-CD2 4.24Å; A261-L278 HydrophobicContact CB-CG 4.26Å; A261-L278 PolarHBondContact N-O 3.29Å; L262-L278 HydrophobicContact CB-CB 4.13Å; L262-L278 PolarHBondContact O-N 3.02Å; L262-L278 VanDerWaalsContact O-N 3.11Å; L278-L280 HydrophobicContact CD1-CD2 4.31Å; L278-L280 HydrophobicContact CD2-CD2 4.35Å; L278-L280 HydrophobicContact CG-CD2 4.11Å; L278-L280 HydrophobicContact CG-CG 4.46Å; L278-L298 HydrophobicContact CD1-CB 4.28Å; L278-V300 HydrophobicContact CD1-CG2 3.64Å
279L98.9Very high97.7Very high0 Ų041.4 Ų41.40%021%0.214CC..EExtended strand (participates in β ladder)trans-109.5124177.7-55.6178.4000109.7V250 A253 A258 R259 V260 T277 V282 I288 V297 L298 P299 V300V250-L279 HydrophobicContact CG1-CD2 4.33Å; A253-L279 HydrophobicContact CB-CD1 3.9Å; A258-L279 HydrophobicContact CB-CB 4.47Å; R259-L279 WeakPolarHBondContact O-CA 3.39Å; V260-L279 HydrophobicContact CB-CD2 4.44Å; V260-L279 HydrophobicContact CG2-CD2 3.83Å; T277-L279 HydrophobicContact CG2-CD2 4Å; T277-L279 HydrophobicContact CG2-CG 4.37Å; L279-V282 HydrophobicContact CB-CG2 3.88Å; L279-I288 HydrophobicContact CD1-CG1 3.96Å; L279-V297 HydrophobicContact CD1-CG1 3.68Å; L279-V297 HydrophobicContact CG-CG1 4.04Å; L279-L298 PolarHBondContact N-O 3.29Å; L279-P299 HydrophobicContact CB-CB 4.43Å; L279-V300 PolarHBondContact O-N 2.99Å
280L98.6Very high98Very high13 Ų1340.6 Ų40.67%0.06819%0.191CC..EExtended strand (participates in β ladder)trans-112.3175.4175.7-56.3-177.8000109.9V211 A258 R259 A261 L278 V282 V300V211-L280 HydrophobicContact CB-CD2 4.45Å; V211-L280 HydrophobicContact CG1-CD1 3.62Å; V211-L280 HydrophobicContact CG1-CD2 3.51Å; V211-L280 HydrophobicContact CG1-CG 4.22Å; V211-L280 HydrophobicContact CG2-CD2 4.02Å; A258-L280 WeakPolarHBondContact CA-O 3.26Å; R259-L280 PolarHBondContact N-O 3.48Å; R259-L280 PolarHBondContact O-N 3.18Å; A261-L280 HydrophobicContact CB-CD1 3.61Å; A261-L280 HydrophobicContact CB-CG 3.81Å; L278-L280 HydrophobicContact CD1-CD2 4.31Å; L278-L280 HydrophobicContact CD2-CD2 4.35Å; L278-L280 HydrophobicContact CG-CD2 4.11Å; L278-L280 HydrophobicContact CG-CG 4.46Å; L280-V282 PolarHBondContact O-N 3.35Å; L280-V282 VanDerWaalsContact O-N 3.13Å; L280-V300 HydrophobicContact CD2-CB 4.17Å; L280-V300 HydrophobicContact CD2-CG2 4.2Å
281D98.3Very high98.2Very high84 Ų8433.9 Ų33.945%0.44916%0.163SC..SBendtrans57.226.5-177.1-48.8-39.7000111.9R259 M286R259-D281 HydrophobicContact CB-CB 4.46Å; R259-D281 VanDerWaalsContact CB-OD2 3.31Å; R259-D281 WeakPolarHBondContact CB-OD2 3.28Å; R259-D281 IonicContact CZ-OD2 3.48Å; R259-D281 IonicContact NE-OD2 2.99Å; R259-D281 PolarHBondContact NE-OD2 2.71Å; R259-D281 IonicContact NH2-OD1 2.75Å; R259-D281 IonicContact NH2-OD2 3.01Å; R259-D281 PolarHBondContact NH2-OD2 2.9Å; D281-M286 WeakPolarHBondContact O-CE 3.45Å
282V98.7Very high98.4Very high11 Ų1133.8 Ų33.87%0.06716%0.155CC..  trans-79.8138.4179.1-175.90000109.3A258 L279 L280 M286 I288 M289 P299 V301A258-V282 HydrophobicContact CB-CG2 3.95Å; L279-V282 HydrophobicContact CB-CG2 3.88Å; L280-V282 PolarHBondContact O-N 3.35Å; L280-V282 VanDerWaalsContact O-N 3.13Å; V282-M286 HydrophobicContact CB-SD 4.36Å; V282-M286 HydrophobicContact CG1-CB 4.45Å; V282-M286 HydrophobicContact CG1-SD 3.9Å; V282-I288 HydrophobicContact CG1-CG2 3.85Å; V282-M289 HydrophobicContact CG1-CG 3.63Å; V282-M289 HydrophobicContact CG1-SD 3.6Å; V282-M289 VanDerWaalsContact CG1-SD 3.6Å; V282-P299 HydrophobicContact CB-CB 4.29Å; V282-P299 HydrophobicContact CG1-CB 3.99Å; V282-P299 HydrophobicContact CG2-CB 3.8Å; V282-V301 HydrophobicContact CB-CG2 4.03Å; V282-V301 HydrophobicContact CG1-CG2 3.92Å
283R98.3Very high98.4Very high130 Ų13029.5 Ų29.549%0.49114%0.139SC..  trans-112.7152.6175.2-60.3172.7-71171.4-4.2109.6E256 E285 M286 M289E256-R283 PolarHBondContact O-NH2 2.88Å; R283-E285 WeakPolarHBondContact CB-OE1 3.37Å; R283-E285 VanDerWaalsContact CB-OE2 3.3Å; R283-E285 WeakPolarHBondContact CB-OE2 3.41Å; R283-E285 WeakPolarHBondContact CD-OE1 3.48Å; R283-E285 IonicContact CZ-OE1 3.85Å; R283-E285 IonicContact NE-OE1 2.65Å; R283-E285 PolarHBondContact NE-OE1 2.92Å; R283-E285 IonicContact NH1-OE1 2.82Å; R283-E285 PolarHBondContact NH1-OE1 3.25Å; R283-E285 PolarHBondContact O-N 2.88Å; R283-M286 HydrophobicContact CB-CE 4.04Å; R283-M286 HydrophobicContact CB-CG 4.27Å; R283-M286 HydrophobicContact CG-CE 3.97Å; R283-M286 VanDerWaalsContact NE-CE 3.33Å; R283-M286 WeakPolarHBondContact O-CB 3.45Å; R283-M286 WeakPolarHBondContact O-CG 3.27Å; R283-M286 PolarHBondContact O-N 3.24Å; R283-M286 VanDerWaalsContact O-N 3.11Å; R283-M289 WeakPolarHBondContact O-CG 3.37Å
284Q98.3Very high98.4Very high26 Ų2630 Ų3012%0.12114%0.142CC..THydrogen-bonded Turntrans-56.4-37.4-173.8174.158.720.800112.3Y201 M286 M289 H290 M312 D315Y201-Q284 PolarHBondContact OH-OE1 3.29Å; Q284-M286 VanDerWaalsContact C-N 3.26Å; Q284-M286 PolarHBondContact O-N 3.36Å; Q284-M289 WeakPolarHBondContact O-CB 3.41Å; Q284-H290 PolarHBondContact O-NE2 3.5Å; Q284-M312 HydrophobicContact CB-CG 4.43Å; Q284-M312 HydrophobicContact CB-SD 4Å; Q284-M312 HydrophobicContact CG-CB 4.4Å; Q284-M312 HydrophobicContact CG-CG 3.98Å; Q284-M312 HydrophobicContact CG-SD 4.2Å; Q284-M312 PolarHBondContact NE2-O 3.49Å; Q284-D315 PolarHBondContact NE2-OD2 3.13Å
285E98.1Very high98.4Very high121 Ų12129.9 Ų29.957%0.56514%0.141SC*.THydrogen-bonded Turntrans-73.1-9.5-177.467.7-86.9-162.500115.3R283R283-E285 WeakPolarHBondContact CB-OE1 3.37Å; R283-E285 VanDerWaalsContact CB-OE2 3.3Å; R283-E285 WeakPolarHBondContact CB-OE2 3.41Å; R283-E285 WeakPolarHBondContact CD-OE1 3.48Å; R283-E285 IonicContact CZ-OE1 3.85Å; R283-E285 IonicContact NE-OE1 2.65Å; R283-E285 PolarHBondContact NE-OE1 2.92Å; R283-E285 IonicContact NH1-OE1 2.82Å; R283-E285 PolarHBondContact NH1-OE1 3.25Å; R283-E285 PolarHBondContact O-N 2.88Å
286M98.7Very high98.4Very high3 Ų329 Ų292%0.01514%0.135CC..SBendtrans-69.6145.6-177.9-64.8-173.5-176.700111.4E256 A258 D281 V282 R283 Q284 I288 M289 H290E256-M286 HydrophobicContact CB-CG 4.15Å; E256-M286 HydrophobicContact CB-SD 4.38Å; E256-M286 VanDerWaalsContact O-CE 3.26Å; E256-M286 WeakPolarHBondContact O-CE 3.29Å; E256-M286 WeakPolarHBondContact OE2-CA 3.5Å; E256-M286 WeakPolarHBondContact OE2-CB 3.25Å; A258-M286 HydrophobicContact CB-SD 4.15Å; D281-M286 WeakPolarHBondContact O-CE 3.45Å; V282-M286 HydrophobicContact CB-SD 4.36Å; V282-M286 HydrophobicContact CG1-CB 4.45Å; V282-M286 HydrophobicContact CG1-SD 3.9Å; R283-M286 HydrophobicContact CB-CE 4.04Å; R283-M286 HydrophobicContact CB-CG 4.27Å; R283-M286 HydrophobicContact CG-CE 3.97Å; R283-M286 VanDerWaalsContact NE-CE 3.33Å; R283-M286 WeakPolarHBondContact O-CB 3.45Å; R283-M286 WeakPolarHBondContact O-CG 3.27Å; R283-M286 PolarHBondContact O-N 3.24Å; R283-M286 VanDerWaalsContact O-N 3.11Å; Q284-M286 VanDerWaalsContact C-N 3.26Å; Q284-M286 PolarHBondContact O-N 3.36Å; M286-I288 HydrophobicContact CB-CG2 4.16Å; M286-I288 PolarHBondContact O-N 3.45Å; M286-I288 VanDerWaalsContact O-N 3.09Å; M286-M289 WeakPolarHBondContact O-CB 3.46Å; M286-M289 PolarHBondContact O-N 3.37Å; M286-H290 PolarHBondContact O-CD2 3.48Å; M286-H290 VanDerWaalsContact O-CD2 3.32Å
287S98.5Very high98.4Very high8 Ų828.7 Ų28.76%0.05613%0.133CC..Hα-helixtrans-58.6-31.9-176.5760000112.7R252 E256 M289 H290 E291R252-S287 WeakPolarHBondContact CD-OG 3.34Å; R252-S287 PolarHBondContact NE-OG 3.08Å; E256-S287 PolarHBondContact OE2-N 2.81Å; E256-S287 PolarHBondContact OE2-OG 3.03Å; S287-M289 PolarHBondContact O-N 2.97Å; S287-H290 PolarHBondContact O-N 3.37Å; S287-E291 PolarHBondContact O-N 3.35Å
288I98.6Very high98.4Very high2 Ų228.7 Ų28.71%0.0113%0.133CC..Hα-helixtrans-62.9-21.4178.7-160.663.3000113.1K164 K249 A253 L279 V282 M286 T293 P299K164-I288 WeakPolarHBondContact CE-O 3.26Å; K164-I288 PolarHBondContact NZ-O 3.28Å; K249-I288 HydrophobicContact CB-CD1 4.24Å; A253-I288 HydrophobicContact CB-CB 3.9Å; A253-I288 HydrophobicContact CB-CG1 4.23Å; A253-I288 HydrophobicContact CB-CG2 4.09Å; L279-I288 HydrophobicContact CD1-CG1 3.96Å; V282-I288 HydrophobicContact CG1-CG2 3.85Å; M286-I288 HydrophobicContact CB-CG2 4.16Å; M286-I288 PolarHBondContact O-N 3.45Å; M286-I288 VanDerWaalsContact O-N 3.09Å; I288-T293 WeakPolarHBondContact CD1-OG1 3.06Å; I288-P299 HydrophobicContact CG1-CB 4.36Å; I288-P299 HydrophobicContact CG1-CG 4.15Å; I288-P299 HydrophobicContact CG2-CB 4.03Å; I288-P299 HydrophobicContact CG2-CG 4.39Å
289M98.7Very high98.4Very high0 Ų028.5 Ų28.50%013%0.132CC..Hα-helixtrans-84.9-18.6176.5-62.4-58.3-67.700112.9K164 R199 Y201 V282 R283 Q284 M286 S287 P299 V301K164-M289 WeakPolarHBondContact CG-O 3.5Å; R199-M289 HydrophobicContact CB-CE 3.63Å; R199-M289 HydrophobicContact CB-SD 3.97Å; R199-M289 VanDerWaalsContact CD-O 3.29Å; R199-M289 WeakPolarHBondContact CD-O 3.14Å; R199-M289 HydrophobicContact CG-CE 4.28Å; Y201-M289 HydrophobicContact CE1-CE 3.7Å; Y201-M289 HydrophobicContact CE2-CE 4.36Å; Y201-M289 WeakPolarHBondContact OH-CE 3.29Å; V282-M289 HydrophobicContact CG1-CG 3.63Å; V282-M289 HydrophobicContact CG1-SD 3.6Å; V282-M289 VanDerWaalsContact CG1-SD 3.6Å; R283-M289 WeakPolarHBondContact O-CG 3.37Å; Q284-M289 WeakPolarHBondContact O-CB 3.41Å; M286-M289 WeakPolarHBondContact O-CB 3.46Å; M286-M289 PolarHBondContact O-N 3.37Å; S287-M289 PolarHBondContact O-N 2.97Å; M289-P299 HydrophobicContact SD-CB 3.74Å; M289-P299 HydrophobicContact SD-CG 3.72Å; M289-V301 HydrophobicContact CE-CB 4.32Å; M289-V301 HydrophobicContact CE-CG2 3.44Å; M289-V301 VanDerWaalsContact CE-CG2 3.44Å; M289-V301 HydrophobicContact CG-CG2 4.44Å; M289-V301 HydrophobicContact SD-CG2 3.77Å
290H98.4Very high98.4Very high54 Ų5428.5 Ų28.525%0.2513%0.132CC..Hα-helixtrans-113.2-32-174-61.8-75.9000113.8Q284 M286 S287 D315 Y318Q284-H290 PolarHBondContact O-NE2 3.5Å; M286-H290 PolarHBondContact O-CD2 3.48Å; M286-H290 VanDerWaalsContact O-CD2 3.32Å; S287-H290 PolarHBondContact O-N 3.37Å; H290-D315 IonicContact CE1-OD2 2.59Å; H290-D315 PolarHBondContact CE1-OD2 3.23Å; H290-Y318 WeakPolarHBondContact O-CE2 3.41Å
291E98.1Very high98.4Very high67 Ų6728.4 Ų28.431%0.31313%0.132SC..SBendtrans-96.4127-177.4-61.7179.5-162.200111.1K164 R252 S287 T293K164-E291 WeakPolarHBondContact CD-O 3.15Å; K164-E291 WeakPolarHBondContact CE-O 3.27Å; K164-E291 PolarHBondContact NZ-O 3.15Å; R252-E291 IonicContact CZ-OE1 3.92Å; R252-E291 IonicContact NH1-OE1 3.74Å; R252-E291 PolarHBondContact NH1-OE1 3.32Å; R252-E291 IonicContact NH1-OE2 3.73Å; R252-E291 IonicContact NH2-OE1 3.48Å; S287-E291 PolarHBondContact O-N 3.35Å; E291-T293 PolarHBondContact O-N 3.24Å
292E98.2Very high98.4Very high28 Ų2826.2 Ų26.213%0.13113%0.126CC..  trans-57121.2178177179.2-125.800111.6G162 G163 E198 K249 F294G162-E292 WeakPolarHBondContact CA-OE1 3.35Å; G163-E292 PolarHBondContact N-OE1 2.54Å; G163-E292 WeakPolarHBondContact O-CB 3.46Å; G163-E292 VanDerWaalsContact O-CG 3.24Å; G163-E292 WeakPolarHBondContact O-CG 3.02Å; E198-E292 WeakPolarHBondContact OE2-CA 3.39Å; K249-E292 PolarHBondContact NZ-O 3.1Å; E292-F294 HydrophobicContact CG-CB 4.17Å; E292-F294 HydrophobicContact CG-CD2 4.33Å
293T98.1Very high98.4Very high7 Ų725.8 Ų25.84%0.04312%0.123CC..  trans-82.1-40.6-179-53.90000111.4K164 E198 V246 I288 E291 G295 V297K164-T293 PolarHBondContact NZ-OG1 3.44Å; E198-T293 PolarHBondContact OE2-N 2.68Å; V246-T293 HydrophobicContact CG1-CG2 4.46Å; V246-T293 HydrophobicContact CG2-CG2 4.34Å; I288-T293 WeakPolarHBondContact CD1-OG1 3.06Å; E291-T293 PolarHBondContact O-N 3.24Å; T293-G295 VanDerWaalsContact C-N 3.28Å; T293-G295 PolarHBondContact O-N 3.44Å; T293-V297 HydrophobicContact CG2-CB 4.03Å; T293-V297 HydrophobicContact CG2-CG2 3.92Å
294F97.9Very high98.4Very high44 Ų4423.4 Ų23.419%0.19312%0.12CC..  trans53.744.7-177.5-145.5-107.6000113W61 G191 Q192 E198 E292W61-F294 AromaticContact CH2-CD1 3.95Å; W61-F294 HydrophobicContact CH2-CD1 3.95Å; W61-F294 AromaticContact CH2-CE1 3.47Å; W61-F294 HydrophobicContact CH2-CE1 3.47Å; W61-F294 VanDerWaalsContact CH2-CE1 3.47Å; W61-F294 HydrophobicContact CZ2-CD1 4.09Å; W61-F294 AromaticContact CZ2-CE1 3.63Å; W61-F294 HydrophobicContact CZ2-CE1 3.63Å; W61-F294 HydrophobicContact CZ3-CE1 4.37Å; G191-F294 CarbonylContact O-C 3.5Å; Q192-F294 HydrophobicContact CB-CD1 3.91Å; Q192-F294 HydrophobicContact CB-CE1 3.6Å; Q192-F294 HydrophobicContact CB-CZ 4.25Å; Q192-F294 HydrophobicContact CG-CD1 4.05Å; Q192-F294 HydrophobicContact CG-CE1 4.22Å; Q192-F294 VanDerWaalsContact O-CZ 3.29Å; Q192-F294 WeakPolarHBondContact O-CZ 2.98Å; E198-F294 PolarHBondContact OE1-N 2.88Å; E198-F294 VanDerWaalsContact OE1-N 3.12Å; E292-F294 HydrophobicContact CG-CB 4.17Å; E292-F294 HydrophobicContact CG-CD2 4.33Å
295G98.2Very high98.5Very high0 Ų024.7 Ų24.70%013%0.13CC..SBendtrans-161.9179-177.200000111R186 S190 G191 T293 V297R186-G295 PolarHBondContact NE-O 2.79Å; R186-G295 PolarHBondContact NH2-O 2.78Å; S190-G295 CarbonylContact O-C 3.56Å; S190-G295 WeakPolarHBondContact O-CA 3.1Å; G191-G295 PolarHBondContact O-N 2.86Å; T293-G295 VanDerWaalsContact C-N 3.28Å; T293-G295 PolarHBondContact O-N 3.44Å; G295-V297 PolarHBondContact O-N 2.89Å
296P97.9Very high98.5Very high1 Ų119.4 Ų19.41%0.00611%0.105CC..SBendtrans-86.256.4-166.934.9-34.2000112.5S190 M234 Y274 T277S190-P296 VanDerWaalsContact O-CD 3.29Å; S190-P296 WeakPolarHBondContact O-CD 3.3Å; M234-P296 HydrophobicContact CE-CB 3.39Å; M234-P296 HydrophobicContact CE-CG 3.52Å; M234-P296 HydrophobicContact SD-CB 4.08Å; Y274-P296 HydrophobicContact CD1-CG 4.16Å; Y274-P296 VanDerWaalsContact O-CG 3.25Å; Y274-P296 WeakPolarHBondContact O-CG 3.42Å; T277-P296 PolarHBondContact N-O 3.38Å
297V98.8Very high98.5Very high0 Ų024.4 Ų24.40%013%0.129CC..EExtended strand (participates in β ladder)trans-122.7127.5-175.2-175.50000110.6R186 V246 V250 Y274 T277 L279 T293 G295R186-V297 WeakPolarHBondContact CD-O 3.41Å; V246-V297 HydrophobicContact CG1-CG2 3.81Å; V250-V297 HydrophobicContact CG2-CB 4.48Å; V250-V297 HydrophobicContact CG2-CG1 3.93Å; V250-V297 HydrophobicContact CG2-CG2 3.69Å; Y274-V297 HydrophobicContact CD1-CG2 4.44Å; Y274-V297 HydrophobicContact CE1-CG2 4.02Å; T277-V297 HydrophobicContact CG2-CG1 4.22Å; T277-V297 CarbonylContact O-C 3.55Å; T277-V297 WeakPolarHBondContact O-CA 3.31Å; L279-V297 HydrophobicContact CD1-CG1 3.68Å; L279-V297 HydrophobicContact CG-CG1 4.04Å; T293-V297 HydrophobicContact CG2-CB 4.03Å; T293-V297 HydrophobicContact CG2-CG2 3.92Å; G295-V297 PolarHBondContact O-N 2.89Å
298L98.5Very high98.5Very high0 Ų027.8 Ų27.80%014%0.143CC..EExtended strand (participates in β ladder)trans-118.8109175.3-72179.8000111.5I182 R186 A197 I200 L214 M218 T277 L278 L279I182-L298 HydrophobicContact CG2-CD1 3.62Å; R186-L298 HydrophobicContact CB-CD1 3.94Å; R186-L298 HydrophobicContact CB-CD2 3.98Å; R186-L298 HydrophobicContact CB-CG 3.94Å; R186-L298 HydrophobicContact CG-CD1 4.22Å; R186-L298 HydrophobicContact CG-CD2 3.82Å; R186-L298 HydrophobicContact CG-CG 3.7Å; A197-L298 WeakPolarHBondContact O-CD2 3.32Å; I200-L298 HydrophobicContact CD1-CD2 3.87Å; I200-L298 HydrophobicContact CG1-CB 4.46Å; I200-L298 HydrophobicContact CG1-CD2 4.01Å; L214-L298 HydrophobicContact CD1-CD1 4.11Å; L214-L298 HydrophobicContact CD2-CD1 4.35Å; M218-L298 HydrophobicContact CE-CB 4.43Å; M218-L298 HydrophobicContact CE-CD1 4.24Å; M218-L298 HydrophobicContact CE-CG 4.38Å; M218-L298 HydrophobicContact SD-CB 4.42Å; M218-L298 HydrophobicContact SD-CD1 3.86Å; M218-L298 HydrophobicContact SD-CG 4.48Å; T277-L298 PolarHBondContact O-N 3.46Å; L278-L298 HydrophobicContact CD1-CB 4.28Å; L279-L298 PolarHBondContact N-O 3.29Å
299P98.8Very high98.5Very high0 Ų027.7 Ų27.70%014%0.143CC..EExtended strand (participates in β ladder)trans-79.7141.7160.832.3-31.2000111.4E198 R199 I200 L279 V282 I288 M289E198-P299 WeakPolarHBondContact O-CD 3.38Å; E198-P299 WeakPolarHBondContact O-CG 3.39Å; R199-P299 HydrophobicContact CB-CG 4.15Å; I200-P299 PolarHBondContact N-O 3.29Å; L279-P299 HydrophobicContact CB-CB 4.43Å; V282-P299 HydrophobicContact CB-CB 4.29Å; V282-P299 HydrophobicContact CG1-CB 3.99Å; V282-P299 HydrophobicContact CG2-CB 3.8Å; I288-P299 HydrophobicContact CG1-CB 4.36Å; I288-P299 HydrophobicContact CG1-CG 4.15Å; I288-P299 HydrophobicContact CG2-CB 4.03Å; I288-P299 HydrophobicContact CG2-CG 4.39Å; M289-P299 HydrophobicContact SD-CB 3.74Å; M289-P299 HydrophobicContact SD-CG 3.72Å
300V98.9Very high98.5Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-121.9129177.7-168.20000110.5I200 V202 Y207 V211 L214 L278 L279 L280I200-V300 HydrophobicContact CB-CG1 4.38Å; I200-V300 HydrophobicContact CB-CG2 4.26Å; I200-V300 WeakPolarHBondContact O-CA 3.42Å; V202-V300 HydrophobicContact CB-CG1 4.46Å; V202-V300 HydrophobicContact CG2-CG1 3.65Å; Y207-V300 HydrophobicContact CE2-CG1 3.85Å; V211-V300 HydrophobicContact CG2-CG1 4.03Å; L214-V300 HydrophobicContact CD2-CG2 4.04Å; L278-V300 HydrophobicContact CD1-CG2 3.64Å; L279-V300 PolarHBondContact O-N 2.99Å; L280-V300 HydrophobicContact CD2-CB 4.17Å; L280-V300 HydrophobicContact CD2-CG2 4.2Å
301V98.8Very high98.5Very high10 Ų1029.9 Ų29.96%0.06116%0.163CC..EExtended strand (participates in β ladder)trans-121.9134.7177.6179.40000109.4I200 Y201 V202 V282 M289 M312I200-V301 PolarHBondContact O-N 2.81Å; Y201-V301 CarbonylContact C-O 3.58Å; Y201-V301 VanDerWaalsContact CA-O 3.31Å; Y201-V301 WeakPolarHBondContact CA-O 3.42Å; Y201-V301 HydrophobicContact CD1-CB 3.87Å; Y201-V301 HydrophobicContact CD1-CG1 4.17Å; Y201-V301 HydrophobicContact CE1-CB 3.97Å; Y201-V301 HydrophobicContact CE1-CG1 4.18Å; Y201-V301 HydrophobicContact CE1-CG2 4.42Å; V202-V301 PolarHBondContact N-O 2.62Å; V282-V301 HydrophobicContact CB-CG2 4.03Å; V282-V301 HydrophobicContact CG1-CG2 3.92Å; M289-V301 HydrophobicContact CE-CB 4.32Å; M289-V301 HydrophobicContact CE-CG2 3.44Å; M289-V301 VanDerWaalsContact CE-CG2 3.44Å; M289-V301 HydrophobicContact CG-CG2 4.44Å; M289-V301 HydrophobicContact SD-CG2 3.77Å; V301-M312 HydrophobicContact CG1-CE 4.4Å; V301-M312 HydrophobicContact CG1-SD 4.14Å
302A98.6Very high98.6Very high38 Ų3828.1 Ų28.131%0.31416%0.155SC..EExtended strand (participates in β ladder)trans-83.4150175.200000111.7V202 K204 Y207V202-A302 CarbonylContact O-C 3.5Å; V202-A302 VanDerWaalsContact O-CA 3.28Å; V202-A302 WeakPolarHBondContact O-CA 3.46Å; K204-A302 HydrophobicContact CG-CB 4Å; Y207-A302 HydrophobicContact CD2-CB 3.58Å; Y207-A302 HydrophobicContact CE2-CB 3.73Å; Y207-A302 HydrophobicContact CG-CB 4.37Å
303F98.7Very high98.6Very high2 Ų226.8 Ų26.81%0.00915%0.149CC..EExtended strand (participates in β ladder)trans-140.6160.4171.369.6-94.2000112.1I168 M170 V202 Q203 K204 T305 E308 A309 M312I168-F303 HydrophobicContact CG2-CE1 3.92Å; I168-F303 HydrophobicContact CG2-CZ 3.78Å; M170-F303 HydrophobicContact CE-CE2 4.12Å; M170-F303 HydrophobicContact CE-CZ 4.33Å; M170-F303 HydrophobicContact SD-CE2 3.96Å; M170-F303 HydrophobicContact SD-CZ 3.6Å; V202-F303 VanDerWaalsContact C-CD1 3.43Å; V202-F303 WeakPolarHBondContact O-CD1 3.48Å; V202-F303 PolarHBondContact O-N 3.15Å; Q203-F303 WeakPolarHBondContact CA-O 3.45Å; Q203-F303 HydrophobicContact CB-CD2 4.32Å; Q203-F303 HydrophobicContact CB-CE1 4.15Å; Q203-F303 HydrophobicContact CB-CE2 3.66Å; Q203-F303 HydrophobicContact CB-CZ 3.56Å; Q203-F303 HydrophobicContact CG-CD2 4.2Å; Q203-F303 HydrophobicContact CG-CE2 3.72Å; Q203-F303 HydrophobicContact CG-CZ 4.17Å; K204-F303 PolarHBondContact N-O 2.94Å; F303-T305 WeakPolarHBondContact CD2-O 3.5Å; F303-E308 HydrophobicContact CB-CB 4.46Å; F303-A309 HydrophobicContact CD1-CB 3.87Å; F303-A309 HydrophobicContact CD2-CB 3.83Å; F303-A309 HydrophobicContact CE1-CB 3.87Å; F303-A309 HydrophobicContact CE2-CB 3.85Å; F303-A309 HydrophobicContact CG-CB 3.83Å; F303-A309 HydrophobicContact CZ-CB 3.87Å; F303-M312 HydrophobicContact CB-CE 3.62Å
304D98.7Very high98.6Very high80 Ų8027.8 Ų27.843%0.42815%0.153SC..SBendtrans-95.9-46177.5-64.8-77.8000111.7Q203 K204 E308Q203-D304 PolarHBondContact NE2-O 3.33Å; K204-D304 VanDerWaalsContact CD-OD1 3.27Å; K204-D304 WeakPolarHBondContact CD-OD1 3.27Å; K204-D304 WeakPolarHBondContact CE-OD1 3.4Å; K204-D304 WeakPolarHBondContact CE-OD2 3.45Å; K204-D304 IonicContact NZ-OD1 2.82Å; K204-D304 PolarHBondContact NZ-OD1 3.48Å; K204-D304 IonicContact NZ-OD2 3.96Å; K204-D304 PolarHBondContact NZ-OD2 3.12Å; D304-E308 WeakPolarHBondContact CB-OE2 3.36Å; D304-E308 PolarHBondContact N-OE2 2.78Å
305T98.7Very high98.6Very high54 Ų5429.5 Ų29.533%0.33117%0.165SC..SBendtrans-119.8153.1-173.466.20000113.4F303 E307 E308 A309F303-T305 WeakPolarHBondContact CD2-O 3.5Å; T305-E307 PolarHBondContact O-N 2.81Å; T305-E308 PolarHBondContact N-OE2 2.79Å; T305-E308 WeakPolarHBondContact O-CB 3.35Å; T305-E308 PolarHBondContact O-N 2.81Å; T305-E308 WeakPolarHBondContact OG1-CG 3.4Å; T305-E308 PolarHBondContact OG1-N 3.33Å; T305-A309 PolarHBondContact O-N 2.92Å; T305-A309 VanDerWaalsContact O-N 3.12Å
306L98.7Very high98.6Very high10 Ų1030 Ų305%0.05217%0.168CC..Hα-helixtrans-57-37.8173.4176.166.6000111.2M170 E308 A309 I310 I324 V331 K334M170-L306 HydrophobicContact CE-CB 3.99Å; M170-L306 HydrophobicContact CE-CD1 4.2Å; M170-L306 HydrophobicContact SD-CD1 3.87Å; L306-E308 VanDerWaalsContact C-N 3.34Å; L306-E308 PolarHBondContact O-N 2.81Å; L306-A309 PolarHBondContact O-N 3.06Å; L306-I310 HydrophobicContact CD1-CD1 4.03Å; L306-I310 HydrophobicContact CD1-CG1 4.15Å; L306-I310 HydrophobicContact CD2-CD1 4.18Å; L306-I310 HydrophobicContact CG-CD1 3.75Å; L306-I310 HydrophobicContact CG-CG1 4.27Å; L306-I310 WeakPolarHBondContact O-CG1 3.41Å; L306-I310 PolarHBondContact O-N 3.26Å; L306-I324 HydrophobicContact CD1-CD1 3.92Å; L306-V331 HydrophobicContact CD1-CG1 4.11Å; L306-V331 HydrophobicContact CD2-CB 4.48Å; L306-V331 HydrophobicContact CD2-CG1 3.93Å; L306-K334 HydrophobicContact CD2-CB 3.68Å; L306-K334 HydrophobicContact CD2-CD 4.06Å
307E98.7Very high98.6Very high108 Ų10834.2 Ų34.251%0.50519%0.191SC..Hα-helixtrans-60.9-41.9179.5-69.673.3-165.200111.7T305 S311 K334T305-E307 PolarHBondContact O-N 2.81Å; E307-S311 WeakPolarHBondContact O-CB 3.31Å; E307-S311 PolarHBondContact O-N 3.42Å; E307-K334 IonicContact OE1-NZ 2.8Å
308E98.6Very high98.6Very high78 Ų7835.8 Ų35.836%0.36420%0.197SC..Hα-helixtrans-63.3-46.7171.8-74.1162.2-164.500111.8F303 D304 T305 L306 I310 S311 M312F303-E308 HydrophobicContact CB-CB 4.46Å; D304-E308 WeakPolarHBondContact CB-OE2 3.36Å; D304-E308 PolarHBondContact N-OE2 2.78Å; T305-E308 PolarHBondContact N-OE2 2.79Å; T305-E308 WeakPolarHBondContact O-CB 3.35Å; T305-E308 PolarHBondContact O-N 2.81Å; T305-E308 WeakPolarHBondContact OG1-CG 3.4Å; T305-E308 PolarHBondContact OG1-N 3.33Å; L306-E308 VanDerWaalsContact C-N 3.34Å; L306-E308 PolarHBondContact O-N 2.81Å; E308-I310 VanDerWaalsContact C-N 3.33Å; E308-I310 PolarHBondContact O-N 3.33Å; E308-S311 WeakPolarHBondContact O-CB 3.34Å; E308-S311 PolarHBondContact O-N 2.89Å; E308-S311 VanDerWaalsContact O-N 3.13Å; E308-M312 WeakPolarHBondContact O-CG 3.43Å; E308-M312 PolarHBondContact O-N 3.28Å
309A98.8Very high98.6Very high0 Ų035.8 Ų35.80%020%0.197CC..Hα-helixtrans-59.7-42.917900000111.9I168 F303 T305 L306 A313I168-A309 HydrophobicContact CD1-CB 4.04Å; I168-A309 HydrophobicContact CG1-CB 4.31Å; I168-A309 HydrophobicContact CG2-CB 3.96Å; F303-A309 HydrophobicContact CD1-CB 3.87Å; F303-A309 HydrophobicContact CD2-CB 3.83Å; F303-A309 HydrophobicContact CE1-CB 3.87Å; F303-A309 HydrophobicContact CE2-CB 3.85Å; F303-A309 HydrophobicContact CG-CB 3.83Å; F303-A309 HydrophobicContact CZ-CB 3.87Å; T305-A309 PolarHBondContact O-N 2.92Å; T305-A309 VanDerWaalsContact O-N 3.12Å; L306-A309 PolarHBondContact O-N 3.06Å; A309-A313 WeakPolarHBondContact O-CB 3.48Å; A309-A313 PolarHBondContact O-N 3.13Å
310I98.9Very high98.6Very high22 Ų2235.9 Ų35.911%0.11320%0.197CC..Hα-helixtrans-65.6-40.7175.3-69.8171000110.9L306 E308 N314 L339L306-I310 HydrophobicContact CD1-CD1 4.03Å; L306-I310 HydrophobicContact CD1-CG1 4.15Å; L306-I310 HydrophobicContact CD2-CD1 4.18Å; L306-I310 HydrophobicContact CG-CD1 3.75Å; L306-I310 HydrophobicContact CG-CG1 4.27Å; L306-I310 WeakPolarHBondContact O-CG1 3.41Å; L306-I310 PolarHBondContact O-N 3.26Å; E308-I310 VanDerWaalsContact C-N 3.33Å; E308-I310 PolarHBondContact O-N 3.33Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.32Å; I310-N314 VanDerWaalsContact O-CB 3.3Å; I310-N314 WeakPolarHBondContact O-CB 3.49Å; I310-N314 VanDerWaalsContact O-CG 3.27Å; I310-N314 PolarHBondContact O-N 3.39Å; I310-N314 PolarHBondContact O-ND2 2.93Å; I310-L339 HydrophobicContact CG1-CD2 4.45Å
311S98.8Very high98.5Very high79 Ų7935.9 Ų35.955%0.55220%0.197SC*.Hα-helixtrans-61.3-50.9177.1-172.30000111.1E307 E308 N314 D315E307-S311 WeakPolarHBondContact O-CB 3.31Å; E307-S311 PolarHBondContact O-N 3.42Å; E308-S311 WeakPolarHBondContact O-CB 3.34Å; E308-S311 PolarHBondContact O-N 2.89Å; E308-S311 VanDerWaalsContact O-N 3.13Å; S311-N314 PolarHBondContact O-N 2.94Å; S311-D315 PolarHBondContact O-N 3.24Å
312M98.8Very high98.5Very high30 Ų3035.4 Ų35.415%0.14819%0.194CC..Hα-helixtrans-64.3-41.3177.7-68.6-168.9-7100112.3R199 Y201 Q284 V301 F303 E308 N314 D315R199-M312 PolarHBondContact NH1-O 2.91Å; Y201-M312 HydrophobicContact CD1-CB 4.25Å; Y201-M312 HydrophobicContact CD1-CE 3.72Å; Y201-M312 HydrophobicContact CD1-SD 4.27Å; Y201-M312 HydrophobicContact CE1-CB 3.56Å; Y201-M312 HydrophobicContact CE1-CE 3.94Å; Y201-M312 HydrophobicContact CE1-CG 4.32Å; Y201-M312 HydrophobicContact CE1-SD 3.88Å; Y201-M312 PolarHBondContact OH-O 3.1Å; Q284-M312 HydrophobicContact CB-CG 4.43Å; Q284-M312 HydrophobicContact CB-SD 4Å; Q284-M312 HydrophobicContact CG-CB 4.4Å; Q284-M312 HydrophobicContact CG-CG 3.98Å; Q284-M312 HydrophobicContact CG-SD 4.2Å; Q284-M312 PolarHBondContact NE2-O 3.49Å; V301-M312 HydrophobicContact CG1-CE 4.4Å; V301-M312 HydrophobicContact CG1-SD 4.14Å; F303-M312 HydrophobicContact CB-CE 3.62Å; E308-M312 WeakPolarHBondContact O-CG 3.43Å; E308-M312 PolarHBondContact O-N 3.28Å; M312-N314 VanDerWaalsContact C-N 3.31Å; M312-N314 PolarHBondContact O-N 2.86Å; M312-D315 PolarHBondContact O-N 3.27Å
313A98.7Very high98.5Very high0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-58.1-44.1173.300000111.3P166 I168 R199 A309 D315 L339 F341P166-A313 HydrophobicContact CB-CB 3.89Å; P166-A313 HydrophobicContact CG-CB 3.79Å; I168-A313 HydrophobicContact CD1-CB 4.26Å; R199-A313 PolarHBondContact NH1-O 3.02Å; R199-A313 PolarHBondContact NH2-O 3.13Å; A309-A313 WeakPolarHBondContact O-CB 3.48Å; A309-A313 PolarHBondContact O-N 3.13Å; A313-D315 VanDerWaalsContact C-N 3.31Å; A313-D315 PolarHBondContact O-N 3.16Å; A313-L339 HydrophobicContact CB-CD2 3.66Å; A313-F341 HydrophobicContact CB-CE2 4.43Å; A313-F341 VanDerWaalsContact O-CZ 3.27Å; A313-F341 WeakPolarHBondContact O-CZ 3.29Å
314N98.7Very high98.5Very high27 Ų2733.5 Ų33.514%0.14418%0.179CC..Hα-helixtrans-75.2-18.3-179.9-75.3-31.9000114.5I310 S311 M312 S316 G338 K340 R362I310-N314 WeakPolarHBondContact CG2-ND2 3.32Å; I310-N314 VanDerWaalsContact O-CB 3.3Å; I310-N314 WeakPolarHBondContact O-CB 3.49Å; I310-N314 VanDerWaalsContact O-CG 3.27Å; I310-N314 PolarHBondContact O-N 3.39Å; I310-N314 PolarHBondContact O-ND2 2.93Å; S311-N314 PolarHBondContact O-N 2.94Å; M312-N314 VanDerWaalsContact C-N 3.31Å; M312-N314 PolarHBondContact O-N 2.86Å; N314-S316 PolarHBondContact O-N 2.86Å; N314-G338 PolarHBondContact ND2-O 3.2Å; N314-K340 WeakPolarHBondContact OD1-CB 3.2Å; N314-K340 PolarHBondContact OD1-N 2.85Å; N314-R362 PolarHBondContact O-NH1 2.84Å
315D98.5Very high98.5Very high81 Ų8129.7 Ų29.743%0.43316%0.159SC..SBendtrans-74.473.2174.6-178.832.8000110.8Q284 H290 S311 M312 A313Q284-D315 PolarHBondContact NE2-OD2 3.13Å; H290-D315 IonicContact CE1-OD2 2.59Å; H290-D315 PolarHBondContact CE1-OD2 3.23Å; S311-D315 PolarHBondContact O-N 3.24Å; M312-D315 PolarHBondContact O-N 3.27Å; A313-D315 VanDerWaalsContact C-N 3.31Å; A313-D315 PolarHBondContact O-N 3.16Å
316S98Very high98.6Very high9 Ų927.2 Ų27.26%0.06314%0.143CC..SBendtrans-159.5138.7-1741580000110.4R199 N314 Y318 R362R199-S316 VanDerWaalsContact NH2-CB 3.28Å; N314-S316 PolarHBondContact O-N 2.86Å; S316-Y318 PolarHBondContact O-N 3.48Å; S316-Y318 WeakPolarHBondContact OG-CA 3.44Å; S316-Y318 WeakPolarHBondContact OG-CB 3.46Å; S316-Y318 PolarHBondContact OG-N 2.86Å; S316-Y318 PolarHBondContact OG-O 2.86Å; S316-R362 PolarHBondContact O-NH1 2.92Å
317D97.6Very high98.5Very high91 Ų9133.9 Ų33.949%0.48717%0.174SC..SBendtrans-66.7-20.3170.7-84-2.9000112.8R362 K363D317-R362 WeakPolarHBondContact O-CB 3.48Å; D317-K363 HydrophobicContact CB-CD 3.95Å; D317-K363 HydrophobicContact CB-CG 4.3Å; D317-K363 WeakPolarHBondContact O-CB 3.3Å; D317-K363 PolarHBondContact O-N 2.79Å; D317-K363 WeakPolarHBondContact OD2-CE 3.36Å; D317-K363 IonicContact OD2-NZ 2.84Å; D317-K363 PolarHBondContact OD2-NZ 3.17Å
318Y98.3Very high98.5Very high33 Ų3331.9 Ų31.913%0.12917%0.167CC..EExtended strand (participates in β ladder)trans-95.3159.4-179.2-54.8-87.4000111.8V140 G162 K164 H290 S316 K363 S364V140-Y318 HydrophobicContact CG2-CD1 4.43Å; V140-Y318 HydrophobicContact CG2-CE1 3.67Å; G162-Y318 WeakPolarHBondContact O-CD1 3.45Å; K164-Y318 HydrophobicContact CB-CD2 3.65Å; K164-Y318 HydrophobicContact CB-CE2 4.3Å; K164-Y318 HydrophobicContact CB-CG 4.15Å; H290-Y318 WeakPolarHBondContact O-CE2 3.41Å; S316-Y318 PolarHBondContact O-N 3.48Å; S316-Y318 WeakPolarHBondContact OG-CA 3.44Å; S316-Y318 WeakPolarHBondContact OG-CB 3.46Å; S316-Y318 PolarHBondContact OG-N 2.86Å; S316-Y318 PolarHBondContact OG-O 2.86Å; Y318-K363 HydrophobicContact CD1-CB 4.47Å; Y318-S364 WeakPolarHBondContact CB-OG 3.49Å
319G98Very high98.5Very high0 Ų034.1 Ų34.10%018%0.181CC..EExtended strand (participates in β ladder)trans-157.540.6-179.500000112.9F341 G342 W361 S364G319-F341 WeakPolarHBondContact O-CA 3.25Å; G319-G342 PolarHBondContact O-N 3.06Å; G319-W361 PolarHBondContact N-O 3.32Å; G319-W361 PolarHBondContact O-N 2.86Å; G319-S364 PolarHBondContact N-OG 3.06Å
320L98.4Very high98.5Very high1 Ų139.7 Ų39.71%0.00521%0.211CC..SBendtrans-77.7-86.3179.9-171.154.9000111.4C194 N195 G342 E343 S364C194-L320 HydrophobicContact CB-CD2 3.65Å; N195-L320 WeakPolarHBondContact OD1-CD2 3.45Å; L320-G342 PolarHBondContact O-N 3.03Å; L320-E343 PolarHBondContact O-N 3.39Å; L320-S364 PolarHBondContact N-OG 2.78Å; L320-S364 VanDerWaalsContact N-OG 3.15Å
321T98.4Very high98.5Very high0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-112.5155179.555.20000111.4A165 P166 N195 F341 E343 Y345A165-T321 VanDerWaalsContact CA-O 3.3Å; A165-T321 WeakPolarHBondContact CA-O 3.45Å; A165-T321 VanDerWaalsContact CB-O 3.27Å; A165-T321 WeakPolarHBondContact CB-O 3.41Å; A165-T321 WeakPolarHBondContact CB-OG1 3.38Å; P166-T321 WeakPolarHBondContact CD-O 3.45Å; N195-T321 WeakPolarHBondContact CA-OG1 3.42Å; N195-T321 HydrophobicContact CB-CG2 3.9Å; N195-T321 PolarHBondContact O-OG1 3.03Å; N195-T321 WeakPolarHBondContact OD1-CG2 3.41Å; T321-F341 WeakPolarHBondContact O-CD1 3.36Å; T321-F341 WeakPolarHBondContact O-CE1 3.34Å; T321-E343 CarbonylContact C-O 3.54Å; T321-E343 WeakPolarHBondContact CA-O 3.26Å; T321-E343 HydrophobicContact CG2-CB 3.87Å; T321-Y345 HydrophobicContact CG2-CE2 3.51Å
322S98.6Very high98.5Very high0 Ų036.4 Ų36.40%019%0.189CC..EExtended strand (participates in β ladder)trans-139163166.6600000109.8P166 E343 T344 Y345P166-S322 CarbonylContact O-C 3.52Å; S322-E343 PolarHBondContact N-O 3.4Å; S322-E343 PolarHBondContact OG-O 2.81Å; S322-T344 CarbonylContact O-C 3.56Å; S322-T344 WeakPolarHBondContact O-CA 3.4Å; S322-T344 PolarHBondContact OG-OG1 3.41Å; S322-Y345 WeakPolarHBondContact O-CD2 3.15Å; S322-Y345 PolarHBondContact O-N 2.81Å
323S98.6Very high98.5Very high0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-142147.3175.750.60000112.2P166 A167 I168 Y345 N350P166-S323 PolarHBondContact O-N 2.83Å; P166-S323 PolarHBondContact O-OG 3.07Å; A167-S323 WeakPolarHBondContact CA-O 3.41Å; A167-S323 VanDerWaalsContact CA-OG 3.23Å; A167-S323 WeakPolarHBondContact CA-OG 3.19Å; A167-S323 WeakPolarHBondContact CB-OG 3.5Å; I168-S323 PolarHBondContact N-O 2.94Å; S323-Y345 CarbonylContact C-O 3.54Å; S323-Y345 WeakPolarHBondContact CA-O 3.43Å; S323-N350 PolarHBondContact OG-ND2 2.83Å
324I98.8Very high98.5Very high0 Ų044.5 Ų44.50%023%0.226CC..EExtended strand (participates in β ladder)trans-138.2136.9173.3-176.2169.5000111.1I168 M170 L306 T326 V331 A335 Y345 I346 N347I168-I324 HydrophobicContact CB-CB 4.29Å; I168-I324 HydrophobicContact CB-CG1 4.13Å; I168-I324 HydrophobicContact CG2-CD1 4.3Å; I168-I324 HydrophobicContact CG2-CG1 4.2Å; I168-I324 CarbonylContact O-C 3.59Å; I168-I324 VanDerWaalsContact O-CA 3.3Å; I168-I324 WeakPolarHBondContact O-CA 3.3Å; M170-I324 HydrophobicContact CG-CD1 4.2Å; M170-I324 HydrophobicContact CG-CG1 4.29Å; M170-I324 HydrophobicContact SD-CD1 4.39Å; L306-I324 HydrophobicContact CD1-CD1 3.92Å; I324-T326 HydrophobicContact CD1-CG2 4.39Å; I324-T326 HydrophobicContact CG1-CG2 4.29Å; I324-V331 HydrophobicContact CD1-CG1 4.05Å; I324-A335 HydrophobicContact CD1-CB 3.49Å; I324-A335 VanDerWaalsContact CD1-CB 3.49Å; I324-A335 HydrophobicContact CG2-CB 4.17Å; I324-Y345 PolarHBondContact N-O 3.19Å; I324-I346 HydrophobicContact CG2-CB 4.37Å; I324-I346 HydrophobicContact CG2-CD1 4.26Å; I324-I346 HydrophobicContact CG2-CG1 3.77Å; I324-I346 HydrophobicContact CG2-CG2 4.22Å; I324-I346 WeakPolarHBondContact O-CA 3.04Å; I324-N347 PolarHBondContact O-N 2.61Å; I324-N347 VanDerWaalsContact O-N 3.09Å
325Y98.9Very high98.5Very high1 Ų143.2 Ų43.20%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-116117.8176.7-57-91.8000108.8A167 I168 V169 M170 A173 A178 A181 I182 N347 R348 N350A167-Y325 HydrophobicContact CB-CE2 4.39Å; I168-Y325 PolarHBondContact O-N 2.59Å; V169-Y325 HydrophobicContact CG2-CD2 4.11Å; M170-Y325 WeakPolarHBondContact CB-O 3.21Å; M170-Y325 WeakPolarHBondContact CG-O 3.4Å; M170-Y325 PolarHBondContact N-O 3.22Å; M170-Y325 VanDerWaalsContact N-O 3.07Å; A173-Y325 WeakPolarHBondContact CB-O 3.35Å; A178-Y325 HydrophobicContact CB-CD1 3.77Å; A178-Y325 HydrophobicContact CB-CD2 4.12Å; A178-Y325 HydrophobicContact CB-CE1 4.31Å; A178-Y325 HydrophobicContact CB-CG 3.66Å; A181-Y325 HydrophobicContact CB-CE1 3.88Å; A181-Y325 WeakPolarHBondContact CB-OH 3.46Å; I182-Y325 HydrophobicContact CD1-CD2 4.45Å; I182-Y325 HydrophobicContact CD1-CE2 3.97Å; I182-Y325 HydrophobicContact CG1-CE2 4.04Å; Y325-N347 VanDerWaalsContact CA-OD1 3.32Å; Y325-N347 WeakPolarHBondContact CA-OD1 3.47Å; Y325-R348 PolarHBondContact OH-O 3.45Å; Y325-N350 PolarHBondContact OH-OD1 3.21Å
326T98.9Very high98.5Very high1 Ų143.3 Ų43.31%0.00622%0.219CC..  trans-165.1147.9-177.5-1770000110.5D172 I324 N328 V331 A332 N347D172-T326 VanDerWaalsContact CG-OG1 3.28Å; D172-T326 WeakPolarHBondContact OD1-CA 3.23Å; D172-T326 WeakPolarHBondContact OD1-CB 3.25Å; D172-T326 PolarHBondContact OD1-OG1 2.8Å; D172-T326 PolarHBondContact OD2-OG1 2.9Å; D172-T326 VanDerWaalsContact OD2-OG1 3.1Å; I324-T326 HydrophobicContact CD1-CG2 4.39Å; I324-T326 HydrophobicContact CG1-CG2 4.29Å; T326-N328 PolarHBondContact OG1-N 2.86Å; T326-V331 HydrophobicContact CG2-CB 4.25Å; T326-V331 HydrophobicContact CG2-CG1 3.96Å; T326-A332 HydrophobicContact CG2-CB 4.06Å; T326-N347 PolarHBondContact N-OD1 3.36Å; T326-N347 PolarHBondContact O-ND2 3.3Å; T326-N347 PolarHBondContact O-OD1 3.14Å; T326-N347 VanDerWaalsContact O-OD1 3.11Å
327Q98.6Very high98.5Very high150 Ų15051.2 Ų51.270%0.70125%0.252SS*.SBendtrans-91.1-8.9171.7-72.4-179.165.600112.6D172D172-Q327 VanDerWaalsContact O-CG 3.22Å; D172-Q327 WeakPolarHBondContact O-CG 3.36Å; D172-Q327 PolarHBondContact O-NE2 2.9Å; D172-Q327 PolarHBondContact OD1-N 3.46Å; D172-Q327 WeakPolarHBondContact OD2-CA 3.24Å; D172-Q327 PolarHBondContact OD2-N 2.8Å
328N98.6Very high98.5Very high67 Ų6747.9 Ų47.936%0.35824%0.239SC..  trans-92.6111.2-177.3-171.8-30.9000112D172 T326 N330 V331 A332D172-N328 VanDerWaalsContact OD2-CB 3.25Å; D172-N328 WeakPolarHBondContact OD2-CB 3.48Å; D172-N328 PolarHBondContact OD2-N 3.14Å; T326-N328 PolarHBondContact OG1-N 2.86Å; N328-N330 PolarHBondContact O-N 3.47Å; N328-N330 WeakPolarHBondContact OD1-CA 3.46Å; N328-N330 VanDerWaalsContact OD1-CB 3.3Å; N328-N330 WeakPolarHBondContact OD1-CB 3.31Å; N328-N330 PolarHBondContact OD1-N 3.25Å; N328-V331 HydrophobicContact CB-CB 4.01Å; N328-V331 HydrophobicContact CB-CG2 3.8Å; N328-V331 WeakPolarHBondContact O-CB 3.47Å; N328-V331 PolarHBondContact O-N 3.35Å; N328-V331 PolarHBondContact OD1-N 3.31Å; N328-A332 PolarHBondContact O-N 3.45Å
329L98.3Very high98.6Very high124 Ų12446.7 Ų46.765%0.64924%0.235SC*.Hα-helixtrans-57.3-35177.9-176.463.7000113.1V331 A332 M333L329-V331 VanDerWaalsContact C-N 3.33Å; L329-V331 PolarHBondContact O-N 2.99Å; L329-A332 PolarHBondContact O-N 3.06Å; L329-M333 HydrophobicContact CD1-CG 4.27Å; L329-M333 HydrophobicContact CG-CG 4.34Å; L329-M333 WeakPolarHBondContact O-CB 3.25Å; L329-M333 VanDerWaalsContact O-CG 3.25Å; L329-M333 WeakPolarHBondContact O-CG 3.28Å; L329-M333 PolarHBondContact O-N 3.48Å
330N98.5Very high98.6Very high118 Ų11851.7 Ų51.763%0.63126%0.256SS*.Hα-helixtrans-68.2-35.6178.3-65-48.4000111.7N328 K334N328-N330 PolarHBondContact O-N 3.47Å; N328-N330 WeakPolarHBondContact OD1-CA 3.46Å; N328-N330 VanDerWaalsContact OD1-CB 3.3Å; N328-N330 WeakPolarHBondContact OD1-CB 3.31Å; N328-N330 PolarHBondContact OD1-N 3.25Å; N330-K334 WeakPolarHBondContact O-CB 3.47Å; N330-K334 VanDerWaalsContact O-CG 3.31Å; N330-K334 WeakPolarHBondContact O-CG 3.23Å; N330-K334 PolarHBondContact O-N 2.95Å
331V98.8Very high98.6Very high24 Ų2452.1 Ų52.115%0.14526%0.258CS..Hα-helixtrans-66.6-48.1174.51710000109.9M170 L306 I324 T326 N328 L329 M333 K334 A335M170-V331 HydrophobicContact CE-CG1 4.02Å; M170-V331 HydrophobicContact CG-CG1 3.9Å; M170-V331 HydrophobicContact SD-CG1 4.23Å; L306-V331 HydrophobicContact CD1-CG1 4.11Å; L306-V331 HydrophobicContact CD2-CB 4.48Å; L306-V331 HydrophobicContact CD2-CG1 3.93Å; I324-V331 HydrophobicContact CD1-CG1 4.05Å; T326-V331 HydrophobicContact CG2-CB 4.25Å; T326-V331 HydrophobicContact CG2-CG1 3.96Å; N328-V331 HydrophobicContact CB-CB 4.01Å; N328-V331 HydrophobicContact CB-CG2 3.8Å; N328-V331 WeakPolarHBondContact O-CB 3.47Å; N328-V331 PolarHBondContact O-N 3.35Å; N328-V331 PolarHBondContact OD1-N 3.31Å; L329-V331 VanDerWaalsContact C-N 3.33Å; L329-V331 PolarHBondContact O-N 2.99Å; V331-M333 PolarHBondContact O-N 3.24Å; V331-K334 PolarHBondContact O-N 3.46Å; V331-A335 PolarHBondContact O-N 3.36Å
332A98.7Very high98.5Very high8 Ų853.5 Ų53.57%0.06627%0.273CS..Hα-helixtrans-56.1-47.717500000112T326 N328 L329 K334 A335 I336 I346T326-A332 HydrophobicContact CG2-CB 4.06Å; N328-A332 PolarHBondContact O-N 3.45Å; L329-A332 PolarHBondContact O-N 3.06Å; A332-K334 VanDerWaalsContact C-N 3.34Å; A332-K334 PolarHBondContact O-N 2.75Å; A332-A335 WeakPolarHBondContact O-CB 3.45Å; A332-A335 PolarHBondContact O-N 3.11Å; A332-I336 WeakPolarHBondContact O-CG1 3.22Å; A332-I336 PolarHBondContact O-N 2.93Å; A332-I346 HydrophobicContact CB-CD1 4.23Å; A332-I346 HydrophobicContact CB-CG2 4.19Å
333M98.5Very high98.5Very high83 Ų8354.7 Ų54.741%0.40928%0.278SS..Hα-helixtrans-66.3-33179.2-71.1-57.9-61.900113.4L329 V331 I336 K337L329-M333 HydrophobicContact CD1-CG 4.27Å; L329-M333 HydrophobicContact CG-CG 4.34Å; L329-M333 WeakPolarHBondContact O-CB 3.25Å; L329-M333 VanDerWaalsContact O-CG 3.25Å; L329-M333 WeakPolarHBondContact O-CG 3.28Å; L329-M333 PolarHBondContact O-N 3.48Å; V331-M333 PolarHBondContact O-N 3.24Å; M333-I336 HydrophobicContact SD-CD1 3.84Å; M333-K337 WeakPolarHBondContact O-CG 3.44Å; M333-K337 PolarHBondContact O-N 3.06Å
334K98.6Very high98.4Very high117 Ų11757 Ų5751%0.50929%0.292SS..Hα-helixtrans-67.4-43.7171.6-79.2179.7173.5-166.30111.2L306 E307 N330 V331 A332 K337 G338L306-K334 HydrophobicContact CD2-CB 3.68Å; L306-K334 HydrophobicContact CD2-CD 4.06Å; E307-K334 IonicContact OE1-NZ 2.8Å; N330-K334 WeakPolarHBondContact O-CB 3.47Å; N330-K334 VanDerWaalsContact O-CG 3.31Å; N330-K334 WeakPolarHBondContact O-CG 3.23Å; N330-K334 PolarHBondContact O-N 2.95Å; V331-K334 PolarHBondContact O-N 3.46Å; A332-K334 VanDerWaalsContact C-N 3.34Å; A332-K334 PolarHBondContact O-N 2.75Å; K334-K337 PolarHBondContact O-N 2.97Å; K334-G338 PolarHBondContact O-N 2.94Å
335A98.7Very high98.4Very high0 Ų057.3 Ų57.30%029%0.294CS..Hα-helixtrans-61-45.417700000111.9I324 V331 A332 K337 G338 L339I324-A335 HydrophobicContact CD1-CB 3.49Å; I324-A335 VanDerWaalsContact CD1-CB 3.49Å; I324-A335 HydrophobicContact CG2-CB 4.17Å; V331-A335 PolarHBondContact O-N 3.36Å; A332-A335 WeakPolarHBondContact O-CB 3.45Å; A332-A335 PolarHBondContact O-N 3.11Å; A335-K337 PolarHBondContact O-N 3.19Å; A335-G338 PolarHBondContact O-N 3.1Å; A335-L339 HydrophobicContact CB-CD1 4.06Å; A335-L339 WeakPolarHBondContact O-CB 3.29Å; A335-L339 WeakPolarHBondContact O-CG 3.14Å; A335-L339 PolarHBondContact O-N 3.18Å
336I98.3Very high98.4Very high83 Ų8359.5 Ų59.543%0.42631%0.305SS..Hα-helixtrans-53.7-41.3175-70.4164.9000111.6A332 M333 I346A332-I336 WeakPolarHBondContact O-CG1 3.22Å; A332-I336 PolarHBondContact O-N 2.93Å; M333-I336 HydrophobicContact SD-CD1 3.84Å; I336-I346 HydrophobicContact CD1-CD1 3.62Å; I336-I346 HydrophobicContact CG1-CD1 3.65Å
337K98.3Very high98.4Very high174 Ų17462.6 Ų62.676%0.75732%0.321SS*.Hα-helixtrans-75.1-29.7179.8-68.3173.4-175.1-179.40113M333 K334 A335M333-K337 WeakPolarHBondContact O-CG 3.44Å; M333-K337 PolarHBondContact O-N 3.06Å; K334-K337 PolarHBondContact O-N 2.97Å; A335-K337 PolarHBondContact O-N 3.19Å
338G98.5Very high98.3Very high21 Ų2159.3 Ų59.322%0.21630%0.303CS..Hα-helixtrans-93.6-35.1-171.400000114.4N314 K334 A335N314-G338 PolarHBondContact ND2-O 3.2Å; K334-G338 PolarHBondContact O-N 2.94Å; A335-G338 PolarHBondContact O-N 3.1Å
339L98.7Very high98.1Very high9 Ų959.3 Ų59.35%0.04730%0.3CS..  trans-72.8131.2-177.4-70.4170.7000110.7I168 I310 A313 A335 F341 T344I168-L339 HydrophobicContact CD1-CD2 4.12Å; I310-L339 HydrophobicContact CG1-CD2 4.45Å; A313-L339 HydrophobicContact CB-CD2 3.66Å; A335-L339 HydrophobicContact CB-CD1 4.06Å; A335-L339 WeakPolarHBondContact O-CB 3.29Å; A335-L339 WeakPolarHBondContact O-CG 3.14Å; A335-L339 PolarHBondContact O-N 3.18Å; L339-F341 HydrophobicContact CB-CD2 4.12Å; L339-F341 HydrophobicContact CD2-CD2 4.35Å; L339-F341 HydrophobicContact CD2-CE2 4.2Å; L339-T344 HydrophobicContact CD1-CG2 3.97Å
340K98.2Very high97.8Very high105 Ų10553.6 Ų53.646%0.45727%0.271SS..  trans-107.261.9-176.3-63179-179.21780111.3N314 W361 R362N314-K340 WeakPolarHBondContact OD1-CB 3.2Å; N314-K340 PolarHBondContact OD1-N 2.85Å; K340-W361 HydrophobicContact CB-CE3 3.97Å; K340-W361 HydrophobicContact CB-CZ3 3.77Å; K340-W361 HydrophobicContact CG-CZ3 4.24Å; K340-R362 VanDerWaalsContact CB-NH2 3.3Å; K340-R362 VanDerWaalsContact CD-NH2 3.32Å
341F98.3Very high97.3Very high9 Ų950.2 Ų50.24%0.03925%0.25CS..SBendtrans-128.5148.6-177.5-65.8-97.5000109.5P166 A313 G319 T321 L339 E343P166-F341 VanDerWaalsContact CD-CE1 3.47Å; P166-F341 VanDerWaalsContact CD-CZ 3.49Å; P166-F341 HydrophobicContact CG-CE1 4.04Å; P166-F341 HydrophobicContact CG-CE2 3.9Å; P166-F341 HydrophobicContact CG-CZ 3.53Å; A313-F341 HydrophobicContact CB-CE2 4.43Å; A313-F341 VanDerWaalsContact O-CZ 3.27Å; A313-F341 WeakPolarHBondContact O-CZ 3.29Å; G319-F341 WeakPolarHBondContact O-CA 3.25Å; T321-F341 WeakPolarHBondContact O-CD1 3.36Å; T321-F341 WeakPolarHBondContact O-CE1 3.34Å; L339-F341 HydrophobicContact CB-CD2 4.12Å; L339-F341 HydrophobicContact CD2-CD2 4.35Å; L339-F341 HydrophobicContact CD2-CE2 4.2Å; F341-E343 PolarHBondContact O-N 3.22Å
342G97.2Very high97Very high30 Ų3049.8 Ų49.831%0.30925%0.247SC..SBendtrans-67.3-27.6178.200000113G319 L320 A359G319-G342 PolarHBondContact O-N 3.06Å; L320-G342 PolarHBondContact O-N 3.03Å; G342-A359 VanDerWaalsContact CA-O 3.3Å; G342-A359 WeakPolarHBondContact CA-O 3.31Å
343E97.7Very high96.8Very high24 Ų2451 Ų5111%0.11226%0.257CS..EExtended strand (participates in β ladder)trans-131.8141.8175.7-66.9179.1-87.200112L320 T321 S322 F341 Y345 E352 H358L320-E343 PolarHBondContact O-N 3.39Å; T321-E343 CarbonylContact C-O 3.54Å; T321-E343 WeakPolarHBondContact CA-O 3.26Å; T321-E343 HydrophobicContact CG2-CB 3.87Å; S322-E343 PolarHBondContact N-O 3.4Å; S322-E343 PolarHBondContact OG-O 2.81Å; F341-E343 PolarHBondContact O-N 3.22Å; E343-Y345 PolarHBondContact OE2-OH 3.05Å; E343-E352 VanDerWaalsContact OE2-CB 3.29Å; E343-E352 WeakPolarHBondContact OE2-CB 3.39Å; E343-H358 IonicContact OE1-CE1 3.43Å; E343-H358 IonicContact OE1-CG 2.99Å; E343-H358 IonicContact OE1-ND1 3.63Å; E343-H358 PolarHBondContact OE1-ND1 3.4Å
344T98.1Very high96.6Very high49 Ų4948.5 Ų48.530%0.30125%0.245SC..EExtended strand (participates in β ladder)trans-133.5118.2175.6-57.60000110.1S322 L339 I346S322-T344 CarbonylContact O-C 3.56Å; S322-T344 WeakPolarHBondContact O-CA 3.4Å; S322-T344 PolarHBondContact OG-OG1 3.41Å; L339-T344 HydrophobicContact CD1-CG2 3.97Å; T344-I346 HydrophobicContact CG2-CG1 4.16Å
345Y98.3Very high96.5Very high6 Ų648.9 Ų48.92%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-93129.7175.9-52.9-65.1000110.3T321 S322 S323 I324 E343 N350 F351 E352T321-Y345 HydrophobicContact CG2-CE2 3.51Å; S322-Y345 WeakPolarHBondContact O-CD2 3.15Å; S322-Y345 PolarHBondContact O-N 2.81Å; S323-Y345 CarbonylContact C-O 3.54Å; S323-Y345 WeakPolarHBondContact CA-O 3.43Å; I324-Y345 PolarHBondContact N-O 3.19Å; E343-Y345 PolarHBondContact OE2-OH 3.05Å; Y345-N350 HydrophobicContact CD2-CB 4.17Å; Y345-N350 HydrophobicContact CE2-CB 4.21Å; Y345-F351 WeakPolarHBondContact CE1-O 3.35Å; Y345-E352 PolarHBondContact OH-N 3.05Å
346I98.5Very high96.4Very high48 Ų4850.4 Ų50.425%0.24626%0.264CS..EExtended strand (participates in β ladder)trans-122.7120.7-179.9-52.6-175.4000108.4I324 A332 I336 T344 R348I324-I346 HydrophobicContact CG2-CB 4.37Å; I324-I346 HydrophobicContact CG2-CD1 4.26Å; I324-I346 HydrophobicContact CG2-CG1 3.77Å; I324-I346 HydrophobicContact CG2-CG2 4.22Å; I324-I346 WeakPolarHBondContact O-CA 3.04Å; A332-I346 HydrophobicContact CB-CD1 4.23Å; A332-I346 HydrophobicContact CB-CG2 4.19Å; I336-I346 HydrophobicContact CD1-CD1 3.62Å; I336-I346 HydrophobicContact CG1-CD1 3.65Å; T344-I346 HydrophobicContact CG2-CG1 4.16Å; I346-R348 VanDerWaalsContact C-N 3.27Å; I346-R348 PolarHBondContact O-N 3.03Å
347N98.2Very high96.3Very high65 Ų6549.6 Ų49.635%0.34826%0.258SS..SBendtrans51.543178.6-57.5-32.5000113.6L177 I324 Y325 T326L177-N347 HydrophobicContact CD2-CB 4.13Å; I324-N347 PolarHBondContact O-N 2.61Å; I324-N347 VanDerWaalsContact O-N 3.09Å; Y325-N347 VanDerWaalsContact CA-OD1 3.32Å; Y325-N347 WeakPolarHBondContact CA-OD1 3.47Å; T326-N347 PolarHBondContact N-OD1 3.36Å; T326-N347 PolarHBondContact O-ND2 3.3Å; T326-N347 PolarHBondContact O-OD1 3.14Å; T326-N347 VanDerWaalsContact O-OD1 3.11Å
348R97.7Very high96.3Very high81 Ų8141.5 Ų41.531%0.30622%0.222SC..SBendtrans-158.1174.5178.766.5175.5-69.1-122.7-7.7111.2Y325 I346 F351Y325-R348 PolarHBondContact OH-O 3.45Å; I346-R348 VanDerWaalsContact C-N 3.27Å; I346-R348 PolarHBondContact O-N 3.03Å; R348-F351 PolarHBondContact NH1-O 2.94Å; R348-F351 PolarHBondContact NH2-O 3.17Å
349E94.7Very high96.2Very high67 Ų6740.9 Ų40.931%0.31322%0.215SC..  trans-61.8154.917370.8-69.8160.400114.9L2 F351L2-E349 HydrophobicContact CD1-CB 3.45Å; L2-E349 VanDerWaalsContact CD1-CB 3.45Å; L2-E349 HydrophobicContact CD1-CG 4.17Å; L2-E349 HydrophobicContact CG-CB 3.94Å; L2-E349 HydrophobicContact CG-CG 4.13Å; E349-F351 VanDerWaalsContact C-N 3.29Å; E349-F351 HydrophobicContact CG-CB 4.26Å; E349-F351 PolarHBondContact O-N 3.37Å
350N91.2Very high96Very high4 Ų440.8 Ų40.82%0.02122%0.217CC..SBendtrans-82.164.1177-66.464000112.2S185 S323 Y325 Y345S185-N350 WeakPolarHBondContact OG-CB 3.46Å; S323-N350 PolarHBondContact OG-ND2 2.83Å; Y325-N350 PolarHBondContact OH-OD1 3.21Å; Y345-N350 HydrophobicContact CD2-CB 4.17Å; Y345-N350 HydrophobicContact CE2-CB 4.21Å
351F89.3Confident95.9Very high47 Ų4742 Ų4221%0.20622%0.218CC..  trans-143.1137175.8-142.9-91000111.8F63 I188 Y345 R348 E349F63-F351 HydrophobicContact CZ-CE2 4.27Å; F63-F351 HydrophobicContact CZ-CZ 4.49Å; I188-F351 HydrophobicContact CD1-CE2 4.43Å; Y345-F351 WeakPolarHBondContact CE1-O 3.35Å; R348-F351 PolarHBondContact NH1-O 2.94Å; R348-F351 PolarHBondContact NH2-O 3.17Å; E349-F351 VanDerWaalsContact C-N 3.29Å; E349-F351 HydrophobicContact CG-CB 4.26Å; E349-F351 PolarHBondContact O-N 3.37Å
352E92.2Very high95.9Very high15 Ų1546.6 Ų46.67%0.0724%0.235CC..  trans-74.4158.1-178.570.2-84.2-155.700111.9R70 N195 E343 Y345 H358R70-E352 IonicContact CZ-OE1 3.32Å; R70-E352 VanDerWaalsContact CZ-OE1 3.23Å; R70-E352 IonicContact NH1-OE1 2.71Å; R70-E352 PolarHBondContact NH1-OE1 2.83Å; R70-E352 IonicContact NH2-OE1 3.49Å; R70-E352 PolarHBondContact NH2-OE1 2.82Å; N195-E352 VanDerWaalsContact ND2-CD 3.26Å; N195-E352 PolarHBondContact ND2-OE2 2.74Å; E343-E352 VanDerWaalsContact OE2-CB 3.29Å; E343-E352 WeakPolarHBondContact OE2-CB 3.39Å; Y345-E352 PolarHBondContact OH-N 3.05Å; E352-H358 HydrophobicContact CG-CB 4.28Å
353A94Very high95.9Very high34 Ų3449.4 Ų49.428%0.28124%0.239SC..  trans-104.813917300000109.3Q355 G356A353-Q355 PolarHBondContact O-N 3.38Å; A353-G356 WeakPolarHBondContact O-CA 3.36Å; A353-G356 PolarHBondContact O-N 2.85Å
354M94.9Very high95.9Very high31 Ų3148.2 Ų48.215%0.15323%0.234CC..THydrogen-bonded Turntrans-59.9-21.7-174.469.8177.273.400114.4F16 D19 Y20 Y23 D370 G371F16-M354 HydrophobicContact CD2-CE 3.87Å; F16-M354 HydrophobicContact CE2-CE 3.28Å; F16-M354 HydrophobicContact CZ-CB 4.11Å; F16-M354 HydrophobicContact CZ-CE 3.94Å; D19-M354 HydrophobicContact CB-CE 4.02Å; Y20-M354 HydrophobicContact CD2-CB 3.91Å; Y20-M354 HydrophobicContact CE2-CB 4.26Å; Y23-M354 WeakPolarHBondContact CB-SD 3.38Å; Y23-M354 HydrophobicContact CD1-CB 4.39Å; Y23-M354 HydrophobicContact CD1-CG 4.04Å; Y23-M354 HydrophobicContact CD1-SD 4.02Å; Y23-M354 HydrophobicContact CD2-CG 4.36Å; Y23-M354 HydrophobicContact CD2-SD 4.06Å; Y23-M354 HydrophobicContact CE1-CG 4.41Å; Y23-M354 VanDerWaalsContact CE1-O 3.25Å; Y23-M354 WeakPolarHBondContact CE1-O 3.1Å; Y23-M354 HydrophobicContact CG-CG 4.02Å; Y23-M354 HydrophobicContact CG-SD 3.55Å; Y23-M354 VanDerWaalsContact CG-SD 3.55Å; M354-D370 WeakPolarHBondContact O-CB 3.47Å; M354-G371 PolarHBondContact O-N 3.06Å
355Q95.7Very high95.9Very high124 Ų12446.2 Ų46.258%0.57922%0.222SC*.THydrogen-bonded Turntrans-89.4-8.3175.875.5-80.419.300114.4Y23 A353Y23-Q355 HydrophobicContact CE2-CB 4Å; Y23-Q355 VanDerWaalsContact OH-CA 3.32Å; Y23-Q355 WeakPolarHBondContact OH-CA 3.35Å; Y23-Q355 WeakPolarHBondContact OH-CB 3.24Å; A353-Q355 PolarHBondContact O-N 3.38Å
356G96.2Very high95.9Very high32 Ų3250.3 Ų50.333%0.3324%0.244SC..SBendtrans-74.2-146.217500000112A353 D370 G371A353-G356 WeakPolarHBondContact O-CA 3.36Å; A353-G356 PolarHBondContact O-N 2.85Å; G356-D370 CarbonylContact O-C 3.59Å; G356-G371 WeakPolarHBondContact O-CA 3.48Å; G356-G371 PolarHBondContact O-N 3.37Å
357F97Very high95.8Very high67 Ų6748.8 Ų48.829%0.29424%0.24SC..  trans-147.1103173.2-179.1-134.1000108.1A359 G368 A369 H373F357-A359 HydrophobicContact CD1-CB 3.71Å; F357-A359 HydrophobicContact CD2-CB 4.45Å; F357-A359 HydrophobicContact CE1-CB 3.43Å; F357-A359 VanDerWaalsContact CE1-CB 3.43Å; F357-A359 HydrophobicContact CE2-CB 4.24Å; F357-A359 HydrophobicContact CG-CB 4.23Å; F357-A359 HydrophobicContact CZ-CB 3.72Å; F357-A359 PolarHBondContact O-N 2.91Å; F357-G368 VanDerWaalsContact CE2-CA 3.4Å; F357-A369 VanDerWaalsContact CD2-O 3.25Å; F357-A369 WeakPolarHBondContact CD2-O 3.42Å; F357-H373 HydrophobicContact CB-CB 4.09Å; F357-H373 HydrophobicContact CD1-CB 4.03Å; F357-H373 HydrophobicContact CD2-CB 3.29Å; F357-H373 HydrophobicContact CE1-CB 4.25Å; F357-H373 HydrophobicContact CE2-CB 3.54Å; F357-H373 HydrophobicContact CG-CB 3.55Å; F357-H373 HydrophobicContact CZ-CB 4.03Å
358H97.5Very high95.7Very high4 Ų445.8 Ų45.82%0.01922%0.224CC..BIsolated β-bridgetrans-79.4104.7177.9-177.151.4000107.9E160 N195 E343 E352 G368 A369E160-H358 IonicContact OE2-CD2 2.77Å; E160-H358 PolarHBondContact OE2-CD2 3.22Å; E160-H358 IonicContact OE2-CG 3.36Å; E160-H358 IonicContact OE2-NE2 3.59Å; E160-H358 PolarHBondContact OE2-NE2 3.01Å; N195-H358 PolarHBondContact ND2-CE1 3.38Å; N195-H358 VanDerWaalsContact ND2-CE1 3.29Å; N195-H358 PolarHBondContact OD1-CE1 3.09Å; E343-H358 IonicContact OE1-CE1 3.43Å; E343-H358 IonicContact OE1-CG 2.99Å; E343-H358 IonicContact OE1-ND1 3.63Å; E343-H358 PolarHBondContact OE1-ND1 3.4Å; E352-H358 HydrophobicContact CG-CB 4.28Å; H358-G368 CarbonylContact O-C 3.56Å; H358-G368 WeakPolarHBondContact O-CA 3.46Å; H358-A369 PolarHBondContact N-O 2.81Å; H358-A369 PolarHBondContact O-N 3.21Å
359A96.5Very high95.7Very high7 Ų742.5 Ų42.56%0.05822%0.215CC..  trans-153.2148.1-174.300000110.5G342 F357 G367G342-A359 VanDerWaalsContact CA-O 3.3Å; G342-A359 WeakPolarHBondContact CA-O 3.31Å; F357-A359 HydrophobicContact CD1-CB 3.71Å; F357-A359 HydrophobicContact CD2-CB 4.45Å; F357-A359 HydrophobicContact CE1-CB 3.43Å; F357-A359 VanDerWaalsContact CE1-CB 3.43Å; F357-A359 HydrophobicContact CE2-CB 4.24Å; F357-A359 HydrophobicContact CG-CB 4.23Å; F357-A359 HydrophobicContact CZ-CB 3.72Å; F357-A359 PolarHBondContact O-N 2.91Å; A359-G367 WeakPolarHBondContact CB-O 3.49Å
360G95.7Very high95.8Very high8 Ų839.3 Ų39.38%0.08220%0.2CC..  trans-113.9163.1177.600000113.6
361W95.3Very high96.1Very high131 Ų13139.1 Ų39.150%0.49620%0.199SC..EExtended strand (participates in β ladder)trans-109164.6168.7-62.45.3000110.5G319 K340 K363 S364G319-W361 PolarHBondContact N-O 3.32Å; G319-W361 PolarHBondContact O-N 2.86Å; K340-W361 HydrophobicContact CB-CE3 3.97Å; K340-W361 HydrophobicContact CB-CZ3 3.77Å; K340-W361 HydrophobicContact CG-CZ3 4.24Å; W361-K363 PolarHBondContact O-N 3.16Å; W361-S364 VanDerWaalsContact O-CB 3.26Å; W361-S364 WeakPolarHBondContact O-CB 3.36Å; W361-S364 PolarHBondContact O-N 2.85Å
362R97.7Very high96.5Very high105 Ų10541.6 Ų41.640%0.39621%0.209SC..EExtended strand (participates in β ladder)trans58.2-131.6173.5-51170.2-174.81722.7111.3N314 S316 D317 K340 S364 G365N314-R362 PolarHBondContact O-NH1 2.84Å; S316-R362 PolarHBondContact O-NH1 2.92Å; D317-R362 WeakPolarHBondContact O-CB 3.48Å; K340-R362 VanDerWaalsContact CB-NH2 3.3Å; K340-R362 VanDerWaalsContact CD-NH2 3.32Å; R362-S364 PolarHBondContact O-N 2.99Å; R362-G365 PolarHBondContact O-N 2.79Å
363K97.9Very high96.7Very high88 Ų8845.8 Ų45.838%0.38323%0.229SC..THydrogen-bonded Turntrans-71.2-8.8177.2-66.2-165.1-177.2160.80113.6V140 L161 D317 Y318 W361 G365V140-K363 HydrophobicContact CG1-CB 4.18Å; V140-K363 HydrophobicContact CG1-CD 4.14Å; V140-K363 HydrophobicContact CG1-CG 4.49Å; V140-K363 HydrophobicContact CG2-CB 4.3Å; V140-K363 WeakPolarHBondContact CG2-O 3.37Å; L161-K363 WeakPolarHBondContact CB-O 3.43Å; D317-K363 HydrophobicContact CB-CD 3.95Å; D317-K363 HydrophobicContact CB-CG 4.3Å; D317-K363 WeakPolarHBondContact O-CB 3.3Å; D317-K363 PolarHBondContact O-N 2.79Å; D317-K363 WeakPolarHBondContact OD2-CE 3.36Å; D317-K363 IonicContact OD2-NZ 2.84Å; D317-K363 PolarHBondContact OD2-NZ 3.17Å; Y318-K363 HydrophobicContact CD1-CB 4.47Å; W361-K363 PolarHBondContact O-N 3.16Å; K363-G365 PolarHBondContact O-N 2.91Å
364S98.5Very high96.9Very high0 Ų044.2 Ų44.20%022%0.216CC..THydrogen-bonded Turntrans-76.4-4.5173.9-65.40000113.8L161 G162 Y318 G319 L320 W361 R362L161-S364 PolarHBondContact N-O 3.02Å; G162-S364 WeakPolarHBondContact O-CA 3.3Å; G162-S364 WeakPolarHBondContact O-CB 3.31Å; G162-S364 PolarHBondContact O-OG 2.96Å; Y318-S364 WeakPolarHBondContact CB-OG 3.49Å; G319-S364 PolarHBondContact N-OG 3.06Å; L320-S364 PolarHBondContact N-OG 2.78Å; L320-S364 VanDerWaalsContact N-OG 3.15Å; W361-S364 VanDerWaalsContact O-CB 3.26Å; W361-S364 WeakPolarHBondContact O-CB 3.36Å; W361-S364 PolarHBondContact O-N 2.85Å; R362-S364 PolarHBondContact O-N 2.99Å
365G97.8Very high97Very high6 Ų642.8 Ų42.86%0.06221%0.209CC..EExtended strand (participates in β ladder)trans128.5-173.1166.100000115.5L159 R362 K363L159-G365 WeakPolarHBondContact O-CA 3.26Å; R362-G365 PolarHBondContact O-N 2.79Å; K363-G365 PolarHBondContact O-N 2.91Å
366I97Very high97.1Very high92 Ų9239.6 Ų39.647%0.47219%0.194SC..EExtended strand (participates in β ladder)trans-142.1135.2179.2-59.1176.2000107.2M147 C158 L159M147-I366 HydrophobicContact CE-CD1 4.1Å; C158-I366 CarbonylContact C-O 3.48Å; C158-I366 WeakPolarHBondContact CA-O 3.46Å; L159-I366 PolarHBondContact N-O 3.02Å; L159-I366 PolarHBondContact O-N 2.78Å
367G97Very high97.2Very high17 Ų1740 Ų4018%0.17519%0.187CC..SBendtrans91.1-163.5-170.300000110.8A359A359-G367 WeakPolarHBondContact CB-O 3.49Å
368G96.7Very high97.3Very high1 Ų137 Ų371%0.0117%0.174CC..  trans-174.9166.5-179.100000112.5C158 E160 F357 H358C158-G368 PolarHBondContact SG-N 2.88Å; C158-G368 PolarHBondContact SG-O 3.35Å; E160-G368 WeakPolarHBondContact OE1-CA 3.44Å; E160-G368 PolarHBondContact OE1-N 3.16Å; F357-G368 VanDerWaalsContact CE2-CA 3.4Å; H358-G368 CarbonylContact O-C 3.56Å; H358-G368 WeakPolarHBondContact O-CA 3.46Å
369A97.2Very high97.3Very high13 Ų1337.3 Ų37.311%0.10718%0.176CC..BIsolated β-bridgetrans-113.6175.4169.700000111R70 F357 H358R70-A369 HydrophobicContact CG-CB 3.81Å; F357-A369 VanDerWaalsContact CD2-O 3.25Å; F357-A369 WeakPolarHBondContact CD2-O 3.42Å; H358-A369 PolarHBondContact N-O 2.81Å; H358-A369 PolarHBondContact O-N 3.21Å
370D97.5Very high97.4Very high0 Ų041.6 Ų41.60%019%0.194CC..SBendtrans72.3153.3173.2-54.2-9.6000115.5Y20 R70 M354 G356 G374Y20-D370 VanDerWaalsContact CE2-OD1 3.26Å; Y20-D370 WeakPolarHBondContact CE2-OD1 3.37Å; Y20-D370 PolarHBondContact OH-OD1 3.42Å; R70-D370 IonicContact CZ-OD1 2.76Å; R70-D370 IonicContact CZ-OD2 3.44Å; R70-D370 IonicContact NE-OD1 3.33Å; R70-D370 PolarHBondContact NE-OD1 2.83Å; R70-D370 IonicContact NE-OD2 2.75Å; R70-D370 PolarHBondContact NE-OD2 3.2Å; R70-D370 IonicContact NH2-OD1 3.18Å; R70-D370 PolarHBondContact NH2-OD1 3.2Å; R70-D370 IonicContact NH2-OD2 3.44Å; R70-D370 PolarHBondContact NH2-OD2 3.43Å; M354-D370 WeakPolarHBondContact O-CB 3.47Å; G356-D370 CarbonylContact O-C 3.59Å; D370-G374 WeakPolarHBondContact O-CA 3.42Å; D370-G374 PolarHBondContact O-N 2.99Å
371G96.9Very high97.5Very high0 Ų044.8 Ų44.80%021%0.212CC..Hα-helixtrans55.4-159.517800000115.7M354 G356 H373 L375M354-G371 PolarHBondContact O-N 3.06Å; G356-G371 WeakPolarHBondContact O-CA 3.48Å; G356-G371 PolarHBondContact O-N 3.37Å; G371-H373 VanDerWaalsContact C-N 3.25Å; G371-H373 PolarHBondContact O-N 2.86Å; G371-L375 PolarHBondContact O-N 2.92Å
372K97.1Very high97.6Very high98 Ų9842.2 Ų42.243%0.42621%0.206SC..Hα-helixtrans-58.8-40.3177.3-174.3173.8175.8171.60111.8W27 L375 H376W27-K372 HydrophobicContact CH2-CB 3.4Å; W27-K372 HydrophobicContact CH2-CD 3.91Å; W27-K372 HydrophobicContact CH2-CG 3.64Å; W27-K372 HydrophobicContact CZ2-CB 3.68Å; W27-K372 HydrophobicContact CZ2-CG 4.38Å; W27-K372 HydrophobicContact CZ3-CB 4.02Å; W27-K372 HydrophobicContact CZ3-CD 4.14Å; W27-K372 HydrophobicContact CZ3-CG 3.79Å; K372-L375 PolarHBondContact O-N 3.33Å; K372-H376 PolarHBondContact O-CD2 3.12Å; K372-H376 PolarHBondContact O-N 2.9Å; K372-H376 VanDerWaalsContact O-N 3.09Å
373H96.8Very high97.6Very high104 Ų10440.1 Ų40.148%0.48120%0.204SC..Hα-helixtrans-75.8-41.9-169.3-60.5-69.3000111.4F357 G371 L375 H376 E377F357-H373 HydrophobicContact CB-CB 4.09Å; F357-H373 HydrophobicContact CD1-CB 4.03Å; F357-H373 HydrophobicContact CD2-CB 3.29Å; F357-H373 HydrophobicContact CE1-CB 4.25Å; F357-H373 HydrophobicContact CE2-CB 3.54Å; F357-H373 HydrophobicContact CG-CB 3.55Å; F357-H373 HydrophobicContact CZ-CB 4.03Å; G371-H373 VanDerWaalsContact C-N 3.25Å; G371-H373 PolarHBondContact O-N 2.86Å; H373-L375 VanDerWaalsContact C-N 3.34Å; H373-L375 PolarHBondContact O-N 3.12Å; H373-H376 WeakPolarHBondContact O-CB 3.47Å; H373-H376 PolarHBondContact O-N 3.29Å; H373-E377 PolarHBondContact O-N 3.04Å
374G97.6Very high97.7Very high1 Ų138.1 Ų38.11%0.0120%0.2CC..Hα-helixtrans-64.7-36.4171.700000112.7D370 H376 E377 Y378D370-G374 WeakPolarHBondContact O-CA 3.42Å; D370-G374 PolarHBondContact O-N 2.99Å; G374-H376 VanDerWaalsContact C-N 3.32Å; G374-H376 PolarHBondContact O-N 3.36Å; G374-E377 WeakPolarHBondContact O-CB 3.41Å; G374-E377 PolarHBondContact O-N 3.42Å; G374-Y378 WeakPolarHBondContact O-CD2 3.48Å
375L98.1Very high97.6Very high0 Ų045.3 Ų45.30%023%0.228CC..Hα-helixtrans-61.4-41.6172.7-179152.4000112.1W27 Y31 L77 T78 G371 K372 H373 E377 Y378 L379W27-L375 HydrophobicContact CB-CD1 3.2Å; W27-L375 HydrophobicContact CD2-CD1 4.06Å; W27-L375 HydrophobicContact CE3-CD1 4.45Å; W27-L375 HydrophobicContact CG-CD1 3.52Å; Y31-L375 HydrophobicContact CD1-CD1 4.48Å; Y31-L375 HydrophobicContact CD1-CD2 4Å; Y31-L375 HydrophobicContact CG-CD2 4.05Å; L77-L375 HydrophobicContact CD2-CD1 3.29Å; L77-L375 HydrophobicContact CD2-CG 4.32Å; T78-L375 HydrophobicContact CG2-CD2 3.82Å; T78-L375 HydrophobicContact CG2-CG 3.83Å; G371-L375 PolarHBondContact O-N 2.92Å; K372-L375 PolarHBondContact O-N 3.33Å; H373-L375 VanDerWaalsContact C-N 3.34Å; H373-L375 PolarHBondContact O-N 3.12Å; L375-E377 PolarHBondContact O-N 3.47Å; L375-Y378 PolarHBondContact O-N 2.95Å; L375-L379 HydrophobicContact CD2-CD1 3.62Å; L375-L379 HydrophobicContact CD2-CG 4.49Å
376H97.4Very high97.6Very high57 Ų5748.8 Ų48.826%0.26425%0.245SC..Hα-helixtrans-63.8-20.6178.4-77.4-160.3000113.2K372 H373 G374 Y378 L379K372-H376 PolarHBondContact O-CD2 3.12Å; K372-H376 PolarHBondContact O-N 2.9Å; K372-H376 VanDerWaalsContact O-N 3.09Å; H373-H376 WeakPolarHBondContact O-CB 3.47Å; H373-H376 PolarHBondContact O-N 3.29Å; G374-H376 VanDerWaalsContact C-N 3.32Å; G374-H376 PolarHBondContact O-N 3.36Å; H376-Y378 PolarHBondContact O-N 2.88Å; H376-L379 PolarHBondContact O-N 3.47Å; H376-L379 VanDerWaalsContact O-N 3.15Å
377E97.9Very high97.4Very high40 Ų4049.7 Ų49.719%0.18725%0.247CC..THydrogen-bonded Turntrans-63.1-25173.2-68.1-57.9158.100113M133 K156 H373 G374 L375 L379M133-E377 HydrophobicContact CE-CB 3.93Å; K156-E377 WeakPolarHBondContact CE-OE2 3.3Å; K156-E377 PolarHBondContact NZ-O 2.78Å; K156-E377 IonicContact NZ-OE2 3.97Å; K156-E377 PolarHBondContact NZ-OE2 2.98Å; H373-E377 PolarHBondContact O-N 3.04Å; G374-E377 WeakPolarHBondContact O-CB 3.41Å; G374-E377 PolarHBondContact O-N 3.42Å; L375-E377 PolarHBondContact O-N 3.47Å; E377-L379 VanDerWaalsContact C-N 3.33Å
378Y98.6Very high96.9Very high5 Ų554.7 Ų54.72%0.0227%0.265CS..THydrogen-bonded Turntrans-939.5178.9-66.7-94.3000113.6T55 K71 P74 A75 T78 N80 M133 S135 G374 L375 H376T55-Y378 HydrophobicContact CG2-CD1 4.24Å; K71-Y378 WeakPolarHBondContact CA-OH 3.34Å; K71-Y378 PolarHBondContact O-OH 3.35Å; P74-Y378 HydrophobicContact CB-CD2 3.71Å; P74-Y378 HydrophobicContact CB-CE2 3.93Å; P74-Y378 HydrophobicContact CB-CG 4.33Å; P74-Y378 HydrophobicContact CG-CD2 3.89Å; P74-Y378 HydrophobicContact CG-CE2 3.55Å; A75-Y378 HydrophobicContact CB-CD1 3.58Å; A75-Y378 HydrophobicContact CB-CE1 3.58Å; A75-Y378 HydrophobicContact CB-CG 4.5Å; T78-Y378 VanDerWaalsContact OG1-CB 3.29Å; T78-Y378 WeakPolarHBondContact OG1-CB 3.48Å; N80-Y378 PolarHBondContact ND2-O 3.2Å; M133-Y378 HydrophobicContact CE-CD1 4.49Å; M133-Y378 HydrophobicContact CE-CE1 4.26Å; M133-Y378 HydrophobicContact CE-CE2 4.28Å; M133-Y378 HydrophobicContact SD-CD1 3.9Å; M133-Y378 HydrophobicContact SD-CE1 4.01Å; M133-Y378 HydrophobicContact SD-CG 4.31Å; S135-Y378 PolarHBondContact OG-OH 3.42Å; G374-Y378 WeakPolarHBondContact O-CD2 3.48Å; L375-Y378 PolarHBondContact O-N 2.95Å; H376-Y378 PolarHBondContact O-N 2.88Å
379L98.3Very high96.1Very high11 Ų1159.4 Ų59.46%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-117.8151179.2-66.2168.8000111.3Y31 K49 R50 T78 L375 H376 E377Y31-L379 HydrophobicContact CD2-CD1 3.91Å; Y31-L379 HydrophobicContact CE2-CD1 4.3Å; Y31-L379 HydrophobicContact CE2-CD2 4.27Å; Y31-L379 HydrophobicContact CG-CD1 4.24Å; K49-L379 HydrophobicContact CB-CD1 4.04Å; K49-L379 HydrophobicContact CB-CD2 4.19Å; K49-L379 HydrophobicContact CB-CG 4.49Å; K49-L379 HydrophobicContact CG-CD1 4.44Å; R50-L379 CarbonylContact O-C 3.51Å; R50-L379 WeakPolarHBondContact O-CA 3.26Å; T78-L379 HydrophobicContact CG2-CD1 4.18Å; T78-L379 HydrophobicContact CG2-CD2 3.74Å; T78-L379 HydrophobicContact CG2-CG 3.78Å; L375-L379 HydrophobicContact CD2-CD1 3.62Å; L375-L379 HydrophobicContact CD2-CG 4.49Å; H376-L379 PolarHBondContact O-N 3.47Å; H376-L379 VanDerWaalsContact O-N 3.15Å; E377-L379 VanDerWaalsContact C-N 3.33Å
380Q97.9Very high94.7Very high96 Ų9664.1 Ų64.145%0.44933%0.33SS..EExtended strand (participates in β ladder)trans-117.6154163.655.9-177.1-29.900110.5K49 R50 A51 L52K49-Q380 WeakPolarHBondContact CA-O 3.22Å; R50-Q380 HydrophobicContact CB-CG 4.1Å; R50-Q380 PolarHBondContact N-O 3.41Å; R50-Q380 WeakPolarHBondContact O-CG 3.28Å; R50-Q380 PolarHBondContact O-N 3.4Å; A51-Q380 PolarHBondContact O-NE2 3.2Å; L52-Q380 HydrophobicContact CD2-CB 3.63Å; L52-Q380 HydrophobicContact CD2-CG 3.9Å
381T97.8Very high92.8Very high76 Ų7670.3 Ų70.347%0.46637%0.368SS..EExtended strand (participates in β ladder)trans-102.2131.3-178.5-56.80000110.2L47 F48 K49 V383L47-T381 HydrophobicContact CD1-CG2 3.95Å; L47-T381 HydrophobicContact CD2-CG2 3.78Å; L47-T381 HydrophobicContact CG-CG2 3.63Å; F48-T381 WeakPolarHBondContact O-CA 3.25Å; K49-T381 PolarHBondContact NZ-OG1 3.02Å; T381-V383 HydrophobicContact CG2-CG2 4.2Å
382Q98.3Very high90.9Very high77 Ų7779.2 Ų79.236%0.3641%0.407SS..EExtended strand (participates in β ladder)trans-116.6124.5166.9-177.7-167.12800108.4F48 V384F48-Q382 HydrophobicContact CB-CB 4.41Å; F48-Q382 PolarHBondContact N-O 3.19Å; F48-Q382 PolarHBondContact O-N 3.22Å; Q382-V384 HydrophobicContact CG-CG2 4.18Å
383V98.3Very high88.8Confident60 Ų6079.2 Ų79.236%0.36442%0.419SS..EExtended strand (participates in β ladder)trans-102.9130.3170.2-174.80000108.8I45 L46 L47 T381 Y385I45-V383 HydrophobicContact CG2-CG1 3.63Å; L46-V383 CarbonylContact O-C 3.45Å; L46-V383 WeakPolarHBondContact O-CA 3.49Å; L47-V383 HydrophobicContact CD1-CG2 4.17Å; L47-V383 HydrophobicContact CG-CG2 4.19Å; T381-V383 HydrophobicContact CG2-CG2 4.2Å; V383-Y385 HydrophobicContact CB-CE2 4.35Å; V383-Y385 HydrophobicContact CG1-CD2 4.29Å; V383-Y385 HydrophobicContact CG1-CE2 3.66Å
384V98.2Very high86.8Confident46 Ų4680.5 Ų80.528%0.27943%0.434SS..EExtended strand (participates in β ladder)trans-116.3125.2177.6178.70000108.6I45 L46 F48 Q382I45-V384 CarbonylContact C-O 3.54Å; I45-V384 WeakPolarHBondContact CA-O 3.3Å; L46-V384 HydrophobicContact CB-CB 4.29Å; L46-V384 PolarHBondContact N-O 3.26Å; L46-V384 PolarHBondContact O-N 2.91Å; F48-V384 HydrophobicContact CD2-CG2 4.02Å; F48-V384 HydrophobicContact CE2-CB 4.22Å; F48-V384 HydrophobicContact CE2-CG2 3.77Å; Q382-V384 HydrophobicContact CG-CG2 4.18Å
385Y98Very high84.6Confident151 Ų15188.7 Ų88.759%0.59248%0.477SS*.EExtended strand (participates in β ladder)trans-99.3109.4171.3-60.7-97.9000107.4I45 V383I45-Y385 HydrophobicContact CD1-CD1 3.96Å; I45-Y385 HydrophobicContact CD1-CE1 3.73Å; I45-Y385 HydrophobicContact CG1-CD1 3.66Å; I45-Y385 HydrophobicContact CG1-CE1 3.88Å; I45-Y385 HydrophobicContact CG2-CD1 4.3Å; I45-Y385 HydrophobicContact CG2-CE1 4.06Å; V383-Y385 HydrophobicContact CB-CE2 4.35Å; V383-Y385 HydrophobicContact CG1-CD2 4.29Å; V383-Y385 HydrophobicContact CG1-CE2 3.66Å
386L96.6Very high82.3Confident80 Ų8097.5 Ų97.542%0.41952%0.518SS..EExtended strand (participates in β ladder)trans-108.4105.5-176.3177.564.3000109.2E43 N44E43-L386 CarbonylContact C-O 3.49Å; E43-L386 WeakPolarHBondContact CA-O 3.43Å; N44-L386 HydrophobicContact CB-CB 4.48Å; N44-L386 PolarHBondContact N-O 3.07Å; N44-L386 PolarHBondContact O-N 2.95Å
387H93.9Very high80.1Confident111 Ų11197.7 Ų97.751%0.51454%0.536SS..EExtended strand (participates in β ladder)trans-96.5116.8175.6-170.274.2000110.8P41P41-H387 PolarHBondContact O-CE1 3.21Å; P41-H387 VanDerWaalsContact O-CE1 3.26Å
388E85.5Confident77.8Confident121 Ų121103.9 Ų103.957%0.56557%0.57SS**PPolyproline II helixtrans-83.5120.3172.8-67.8-175.8-170.900109.8G42 S390G42-E388 PolarHBondContact O-N 3.33Å; E388-S390 PolarHBondContact O-N 2.93Å
389S80.5Confident75.4Confident100 Ų100106.7 Ų106.770%0.69960%0.601SS**PPolyproline II helixtrans-62.9131.3170.4-52.40000108.6V391S389-V391 PolarHBondContact O-N 3.15Å
390S66.8Low72.9Confident112 Ų112116.1 Ų116.178%0.78366%0.663SS**  trans-50.1109.5176.857.80000110E388 K392E388-S390 PolarHBondContact O-N 2.93Å; S390-K392 PolarHBondContact O-N 3.5Å
391V58.7Low71.6Confident131 Ų131117.2 Ų117.279%0.79467%0.673SS**  trans-59.8112.8165.6178.40000104.8S389 S393S389-V391 PolarHBondContact O-N 3.15Å; V391-S393 PolarHBondContact O-N 3.35Å
392K57.1Low70.3Confident187 Ų187119.3 Ų119.381%0.81368%0.684SS**  trans-47.2113.7174.8-75.3-177.4177-179.70107.2S390 T394S390-K392 PolarHBondContact O-N 3.5Å; K392-T394 PolarHBondContact O-N 3.38Å
393S51.8Low68.7Low97 Ų97121.7 Ų121.768%0.67870%0.702SS**  trans-61.2100.8-175.961.50000109.5V391 L395V391-S393 PolarHBondContact O-N 3.35Å; S393-L395 PolarHBondContact O-N 3.03Å
394T55.9Low67Low132 Ų132125.3 Ų125.381%0.8172%0.722SS**  trans-80.27.7172.415.90000112.9K392 Q396K392-T394 PolarHBondContact O-N 3.38Å; T394-Q396 PolarHBondContact O-N 3.46Å
395L51.8Low65Low172 Ų172130.3 Ų130.390%0.90175%0.75SS**  trans-88.128177-67.7173.5000113.8S393S393-L395 PolarHBondContact O-N 3.03Å
396Q49.8Very low62.8Low185 Ų185128.9 Ų128.986%0.86476%0.76SS**  trans-96.889.8158.4-77.7-170.20.600109T394T394-Q396 PolarHBondContact O-N 3.46Å
397G51.1Low60.4Low62 Ų62132.4 Ų132.464%0.63979%0.785SS**  trans161.262.6170.800000113.5
398N49.8Very low57.8Low170 Ų170134 Ų13491%0.90981%0.806SS**  trans-158.365.1152.7-85.4-25.4000107
399G46.9Very low55.5Low64 Ų64135.1 Ų135.166%0.6683%0.826SS**  trans-71.8153.2156.100000108.8
400P45.9Very low53.2Low209 Ų209138.3 Ų138.3100%1.35784%0.837SS**  trans-61.70-159.927.9-36.1000114.9

Retrieved 400 of 400 residues in 1384.7 ms (Link to these results)

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