A0A090KFR2_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KFR2, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 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
1M35Very low45.1Very low240 Ų240137.6 Ų137.6100%1.18271%0.711SS**  01020-73.2165.1176.400108
2R36.1Very low45.2Very low249 Ų249137.5 Ų137.594%0.9471%0.711SS**  trans-93.3106.3170.1-89.9-178.6174.1165.3-1.9106.5T4R2-T4 PolarHBondContact O-N 3.21Å
3V38.8Very low44.7Very low139 Ų139134.5 Ų134.584%0.84270%0.696SS**  trans-75.7102.7172.5179.40000106.7A5V3-A5 PolarHBondContact O-N 2.62Å
4T46.3Very low44Very low128 Ų128138.1 Ų138.179%0.78570%0.697SS**  trans-76.6107.7167.940.70000108R2R2-T4 PolarHBondContact O-N 3.21Å
5A44.3Very low43.9Very low64 Ų64131.3 Ų131.353%0.52968%0.675SS.*  trans-63.9144.4169.500000110V3 R7V3-A5 PolarHBondContact O-N 2.62Å; A5-R7 PolarHBondContact O-N 2.8Å
6P49.8Very low43.9Very low76 Ų76126.6 Ų126.649%0.49466%0.662SS.*  trans-66.3131.8-178.5-11.325.9000110T8 V9 L10P6-T8 PolarHBondContact O-N 2.7Å; P6-V9 HydrophobicContact CB-CG2 4.28Å; P6-V9 HydrophobicContact CG-CG2 4.09Å; P6-V9 PolarHBondContact O-N 3.45Å; P6-L10 PolarHBondContact O-N 3.42Å
7R49.6Very low43.7Very low225 Ų225123.8 Ų123.885%0.84965%0.651SS**Hα-helixtrans-51.4-25.7178.3-96.2177.8156.8133.5-6.1114A5 L11A5-R7 PolarHBondContact O-N 2.8Å; R7-L11 WeakPolarHBondContact O-CG 3.37Å; R7-L11 PolarHBondContact O-N 2.66Å
8T50.9Low43.4Very low96 Ų96120 Ų12059%0.58964%0.64SS**Hα-helixtrans-70.9-36.8176.642.30000113.3P6 L10 L11 L12P6-T8 PolarHBondContact O-N 2.7Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L11 PolarHBondContact O-N 3.17Å; T8-L12 PolarHBondContact O-N 3.04Å
9V50.1Low43.2Very low73 Ų73118.7 Ų118.744%0.44263%0.633SS.*Hα-helixtrans-69.8-35.1176.6179.20000110.6P6 L13P6-V9 HydrophobicContact CB-CG2 4.28Å; P6-V9 HydrophobicContact CG-CG2 4.09Å; P6-V9 PolarHBondContact O-N 3.45Å; V9-L13 HydrophobicContact CG1-CD1 4.02Å; V9-L13 WeakPolarHBondContact O-CD1 3.11Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 2.88Å; V9-L13 VanDerWaalsContact O-N 3.16Å
10L45.3Very low42.9Very low95 Ų95117.4 Ų117.450%0.49763%0.629SS.*Hα-helixtrans-66.4-38.4176.9-136.889.5000112P6 T8 W14P6-L10 PolarHBondContact O-N 3.42Å; T8-L10 VanDerWaalsContact C-N 3.33Å; L10-W14 PolarHBondContact O-N 3.2Å; L10-W14 VanDerWaalsContact O-N 3.09Å
11L49.8Very low42.8Very low129 Ų129118.9 Ų118.968%0.67563%0.632SS**Hα-helixtrans-71.4-38.3179.6-72.5166.7000112.9R7 T8 W14 G15R7-L11 WeakPolarHBondContact O-CG 3.37Å; R7-L11 PolarHBondContact O-N 2.66Å; T8-L11 PolarHBondContact O-N 3.17Å; L11-W14 PolarHBondContact O-N 2.96Å; L11-G15 PolarHBondContact O-N 3.38Å
12L46.4Very low43.3Very low136 Ų136111.8 Ų111.871%0.71260%0.603SS**Hα-helixtrans-67-37.9175.2-72.5168.3000112.1T8 G15 A16T8-L12 PolarHBondContact O-N 3.04Å; L12-G15 PolarHBondContact O-N 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.25Å
13L39.2Very low43.8Very low98 Ų98102.2 Ų102.251%0.51357%0.567SS.*Hα-helixtrans-66.4-36.3173.9-76.1165.4000111.9V9 V17V9-L13 HydrophobicContact CG1-CD1 4.02Å; V9-L13 WeakPolarHBondContact O-CD1 3.11Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 2.88Å; V9-L13 VanDerWaalsContact O-N 3.16Å; L13-V17 VanDerWaalsContact O-CB 3.26Å; L13-V17 WeakPolarHBondContact O-CB 3.34Å; L13-V17 WeakPolarHBondContact O-CG2 3.33Å; L13-V17 PolarHBondContact O-N 3.42Å
14W35.4Very low44.6Very low186 Ų18698.6 Ų98.671%0.70555%0.552SS**Hα-helixtrans-73.1-35176.4-77.345.7000112.4L10 L11 A18L10-W14 PolarHBondContact O-N 3.2Å; L10-W14 VanDerWaalsContact O-N 3.09Å; L11-W14 PolarHBondContact O-N 2.96Å; W14-A18 WeakPolarHBondContact O-CB 3.43Å; W14-A18 PolarHBondContact O-N 2.99Å
15G41.8Very low46Very low36 Ų3693.8 Ų93.837%0.37153%0.527SS..Hα-helixtrans-63.8-44.6171.800000112.4L11 L12 L19L11-G15 PolarHBondContact O-N 3.38Å; L12-G15 PolarHBondContact O-N 3.31Å; G15-L19 WeakPolarHBondContact O-CB 3.24Å; G15-L19 WeakPolarHBondContact O-CD1 3.45Å; G15-L19 PolarHBondContact O-N 3.49Å; G15-L19 VanDerWaalsContact O-N 3.14Å
16A43.4Very low48.2Very low56 Ų5693.5 Ų93.546%0.46352%0.521SS..Hα-helixtrans-68.4-40.8176.800000112.7L12 L19 T20L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.25Å; A16-L19 PolarHBondContact O-N 2.87Å; A16-T20 WeakPolarHBondContact O-CG2 3.37Å; A16-T20 PolarHBondContact O-N 2.94Å; A16-T20 PolarHBondContact O-OG1 3.05Å
17V40.7Very low50.4Low78 Ų7891.4 Ų91.447%0.47351%0.505SS..Hα-helixtrans-69.8-41.5178.5171.50000111.6L13 L19 T20 E21L13-V17 VanDerWaalsContact O-CB 3.26Å; L13-V17 WeakPolarHBondContact O-CB 3.34Å; L13-V17 WeakPolarHBondContact O-CG2 3.33Å; L13-V17 PolarHBondContact O-N 3.42Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 3.03Å; V17-T20 WeakPolarHBondContact CA-OG1 3.48Å; V17-T20 PolarHBondContact O-N 3.36Å; V17-T20 PolarHBondContact O-OG1 2.9Å; V17-E21 PolarHBondContact O-N 2.88Å
18A38.5Very low52.7Low56 Ų5682 Ų8246%0.46347%0.473SS..Hα-helixtrans-63.9-37176.400000112W14 T22W14-A18 WeakPolarHBondContact O-CB 3.43Å; W14-A18 PolarHBondContact O-N 2.99Å; A18-T22 WeakPolarHBondContact O-CG2 3.5Å; A18-T22 PolarHBondContact O-N 3.02Å; A18-T22 PolarHBondContact O-OG1 2.99Å
19L38.8Very low55Low96 Ų9677.4 Ų77.450%0.50345%0.445SS..Hα-helixtrans-73.4-30.3175.1-84.9156.4000113G15 A16 V17 T22 W23G15-L19 WeakPolarHBondContact O-CB 3.24Å; G15-L19 WeakPolarHBondContact O-CD1 3.45Å; G15-L19 PolarHBondContact O-N 3.49Å; G15-L19 VanDerWaalsContact O-N 3.14Å; A16-L19 PolarHBondContact O-N 2.87Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 3.39Å; L19-T22 VanDerWaalsContact O-OG1 3.05Å; L19-W23 PolarHBondContact O-NE1 3.19Å
20T38.8Very low57.3Low91 Ų9176.4 Ų76.456%0.55843%0.433SS*.Hα-helixtrans-74.5-30.3174.151.10000113.1A16 V17A16-T20 WeakPolarHBondContact O-CG2 3.37Å; A16-T20 PolarHBondContact O-N 2.94Å; A16-T20 PolarHBondContact O-OG1 3.05Å; V17-T20 WeakPolarHBondContact CA-OG1 3.48Å; V17-T20 PolarHBondContact O-N 3.36Å; V17-T20 PolarHBondContact O-OG1 2.9Å
21E39.1Very low59.9Low149 Ų14972.4 Ų72.470%0.69641%0.412SS*.Hα-helixtrans-74.5-23.3175.9-86.2-170.4156.800113.2V17 W23V17-E21 PolarHBondContact O-N 2.88Å; E21-W23 VanDerWaalsContact C-N 3.33Å; E21-W23 PolarHBondContact O-N 2.8Å
22T46Very low62.2Low91 Ų9170.3 Ų70.356%0.55840%0.397SS*.THydrogen-bonded Turntrans-78-11.6-17649.60000114.9A18 L19A18-T22 WeakPolarHBondContact O-CG2 3.5Å; A18-T22 PolarHBondContact O-N 3.02Å; A18-T22 PolarHBondContact O-OG1 2.99Å; L19-T22 PolarHBondContact O-OG1 3.39Å; L19-T22 VanDerWaalsContact O-OG1 3.05Å
23W46.2Very low64.7Low49 Ų4964.1 Ų64.119%0.18636%0.364CS..THydrogen-bonded Turntrans-102.2-31.8-170.5-69.157.1000113.3L19 E21 G25 E236 E288L19-W23 PolarHBondContact O-NE1 3.19Å; E21-W23 VanDerWaalsContact C-N 3.33Å; E21-W23 PolarHBondContact O-N 2.8Å; W23-G25 PolarHBondContact O-N 2.9Å; W23-E236 HydrophobicContact CE3-CG 4.22Å; W23-E236 HydrophobicContact CH2-CB 4.22Å; W23-E236 HydrophobicContact CH2-CG 3.39Å; W23-E236 HydrophobicContact CZ2-CG 3.89Å; W23-E236 HydrophobicContact CZ3-CB 3.92Å; W23-E236 HydrophobicContact CZ3-CG 3.56Å; W23-E236 WeakPolarHBondContact CZ3-O 3.37Å; W23-E288 HydrophobicContact CB-CB 4.35Å; W23-E288 HydrophobicContact CB-CG 4.27Å; W23-E288 HydrophobicContact CE3-CB 4.17Å; W23-E288 VanDerWaalsContact O-CD 3.23Å
24A55.4Low67.5Low63 Ų6361.1 Ų61.152%0.52135%0.35SS..SBendtrans-80.1105.3-17700000111.1
25G75.6Confident70.5Confident26 Ų2652.3 Ų52.327%0.26832%0.318SS..SBendtrans98.88.5158.900000117.6W23 P129W23-G25 PolarHBondContact O-N 2.9Å; G25-P129 VanDerWaalsContact O-CA 3.27Å; G25-P129 WeakPolarHBondContact O-CA 3.49Å
26S91.5Very high73.2Confident58 Ų5853.1 Ų53.141%0.40631%0.312SS..  trans-82.9142.5164.463.10000110.7L127S26-L127 VanDerWaalsContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CA-O 3.5Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å
27H96.3Very high75.8Confident33 Ų3351.3 Ų51.315%0.15330%0.296CS..EExtended strand (participates in β ladder)trans-135.1153.9178.9-67.8-76.9000110.9D53 D126 L127 L192 L196H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.2Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 2.8Å; H27-D53 IonicContact ND1-OD1 3Å; H27-D53 IonicContact ND1-OD2 3.94Å; H27-D53 PolarHBondContact ND1-OD2 3.31Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; H27-L127 PolarHBondContact N-O 3.22Å; H27-L127 VanDerWaalsContact N-O 3.09Å; H27-L127 PolarHBondContact O-N 3.36Å; H27-L192 HydrophobicContact CB-CD1 4.47Å; H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.48Å
28S97.9Very high78.4Confident26 Ų2651.2 Ų51.218%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-132.7149.3179.265.90000111.9V52 D53 C125 D126S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.25Å; S28-D53 PolarHBondContact N-OD1 3.06Å; S28-D53 PolarHBondContact O-N 3.37Å; S28-C125 WeakPolarHBondContact CA-O 3.5Å; S28-D126 WeakPolarHBondContact CB-OD1 3.44Å
29M98.7Very high81Confident1 Ų151.2 Ų51.21%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-122.6121.4167.2-176.2171.462.100108.2Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195M29-Y31 HydrophobicContact CE-CE2 4.31Å; M29-Y31 HydrophobicContact CG-CE2 4.2Å; M29-Y31 HydrophobicContact SD-CE2 4.12Å; M29-Y51 CarbonylContact C-O 3.49Å; M29-Y51 WeakPolarHBondContact CA-O 3.04Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; M29-F57 HydrophobicContact CG-CE1 4.38Å; M29-F57 HydrophobicContact CG-CZ 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.26Å; M29-C125 PolarHBondContact N-O 3.35Å; M29-C125 PolarHBondContact O-N 2.9Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.46Å; M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.45Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.35Å; M29-L192 HydrophobicContact SD-CB 4.48Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å
30R98.7Very high83.5Confident51 Ų5150.9 Ų50.919%0.19230%0.303CS..EExtended strand (participates in β ladder)trans-129.3136.2-176.6-57.2-61.8-174.777.95.2110.7F32 G50 Y51 D126 H137R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; R30-Y51 PolarHBondContact N-O 2.93Å; R30-Y51 PolarHBondContact O-N 2.92Å; R30-D126 IonicContact CZ-OD1 2.71Å; R30-D126 IonicContact NE-OD1 3.35Å; R30-D126 PolarHBondContact NE-OD1 3.47Å; R30-D126 VanDerWaalsContact NE-OD1 3.08Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.65Å; R30-D126 PolarHBondContact NH2-OD1 3.06Å; R30-D126 IonicContact NH2-OD2 3.51Å; R30-D126 PolarHBondContact NH2-OD2 3.22Å; R30-H137 PolarHBondContact NH2-NE2 2.85Å; R30-H137 VanDerWaalsContact NH2-NE2 3.14Å
31Y98.8Very high86.1Confident12 Ų1256.5 Ų56.55%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-112.1134.2168.9-71.7-87.5000109.6M29 Y33 V49 F57 V58 M122 Y123M29-Y31 HydrophobicContact CE-CE2 4.31Å; M29-Y31 HydrophobicContact CG-CE2 4.2Å; M29-Y31 HydrophobicContact SD-CE2 4.12Å; Y31-Y33 HydrophobicContact CD1-CE1 4.43Å; Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.32Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 HydrophobicContact CE2-CZ 4.49Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.31Å; Y31-V58 HydrophobicContact CE1-CG2 3.93Å; Y31-M122 WeakPolarHBondContact O-CA 3.45Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 WeakPolarHBondContact CB-OH 3.43Å; Y31-Y123 AromaticContact CD2-CE2 3.78Å; Y31-Y123 HydrophobicContact CD2-CE2 3.78Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.32Å; Y31-Y123 HydrophobicContact CG-CE1 4.21Å; Y31-Y123 HydrophobicContact CG-CE2 4.27Å; Y31-Y123 AromaticContact CG-CZ 3.72Å; Y31-Y123 PolarHBondContact N-O 2.94Å; Y31-Y123 PolarHBondContact O-N 3.36Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32F98.9Very high88.6Confident85 Ų8552.1 Ų52.137%0.37331%0.309SS..EExtended strand (participates in β ladder)trans-118.8118.8177.9-57.9-94.4000109.1R30 A48 V49 Y51 R121 M122R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; F32-A48 WeakPolarHBondContact O-CA 3.49Å; F32-V49 HydrophobicContact CB-CG2 3.85Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.22Å; F32-V49 PolarHBondContact O-N 3.07Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; F32-R121 WeakPolarHBondContact CA-O 3.34Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.31Å; F32-M122 HydrophobicContact CZ-CG 3.95Å
33Y98.7Very high90.9Very high5 Ų552 Ų522%0.0230%0.301CS..EExtended strand (participates in β ladder)trans-108.1141.3177-62.9-1.7000109.2Y31 F46 I47 A48 F91 N94 Y98 Q120 R121 Y123Y31-Y33 HydrophobicContact CD1-CE1 4.43Å; Y33-F46 HydrophobicContact CD1-CZ 4.33Å; Y33-F46 HydrophobicContact CD2-CE2 4.07Å; Y33-F46 AromaticContact CD2-CZ 3.79Å; Y33-F46 HydrophobicContact CD2-CZ 3.79Å; Y33-F46 HydrophobicContact CE2-CZ 4.26Å; Y33-F46 HydrophobicContact CG-CE2 4.1Å; Y33-F46 AromaticContact CG-CZ 3.82Å; Y33-F46 HydrophobicContact CG-CZ 3.82Å; Y33-I47 CarbonylContact C-O 3.45Å; Y33-I47 WeakPolarHBondContact CA-O 3.44Å; Y33-A48 HydrophobicContact CD1-CB 3.45Å; Y33-A48 VanDerWaalsContact CD1-CB 3.45Å; Y33-A48 HydrophobicContact CE1-CB 3.66Å; Y33-A48 HydrophobicContact CG-CB 4.3Å; Y33-F91 HydrophobicContact CE1-CD1 4.34Å; Y33-F91 AromaticContact CE1-CE1 3.6Å; Y33-F91 HydrophobicContact CE1-CE1 3.6Å; Y33-F91 AromaticContact CZ-CE1 3.68Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.47Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.42Å; Y33-Y98 AromaticContact CD2-CE2 3.75Å; Y33-Y98 HydrophobicContact CD2-CE2 3.75Å; Y33-Y98 AromaticContact CD2-CZ 3.95Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.31Å; Y33-R121 PolarHBondContact N-O 2.89Å; Y33-R121 PolarHBondContact O-N 3.45Å; Y33-Y123 HydrophobicContact CD1-CE1 4.4Å; Y33-Y123 HydrophobicContact CD2-CE1 4.4Å; Y33-Y123 AromaticContact CE1-CE1 3.74Å; Y33-Y123 HydrophobicContact CE1-CE1 3.74Å; Y33-Y123 AromaticContact CE2-CE1 3.79Å; Y33-Y123 HydrophobicContact CE2-CE1 3.79Å; Y33-Y123 AromaticContact CZ-CE1 3.42Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.42Å; Y33-Y123 AromaticContact CZ-CZ 3.88Å; Y33-Y123 PolarHBondContact OH-OH 3.37Å
34T98.8Very high93.3Very high35 Ų3550.7 Ų50.722%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-138.5122.1174.9-59.30000109.1M36 F46 I47 I118 I119 Q120T34-M36 HydrophobicContact CG2-CE 4.16Å; T34-M36 HydrophobicContact CG2-CG 4.02Å; T34-M36 HydrophobicContact CG2-SD 4.23Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; T34-I47 PolarHBondContact N-O 2.85Å; T34-I47 PolarHBondContact O-N 3.02Å; T34-I118 HydrophobicContact CG2-CG2 3.92Å; T34-I119 WeakPolarHBondContact CA-O 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å
35A98.5Very high95.4Very high2 Ų251.5 Ų51.52%0.01729%0.289CS..EExtended strand (participates in β ladder)trans-116.7125.7174.800000109.6R45 F46 Y98 L102 I118 I119A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.33Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; A35-Y98 HydrophobicContact CB-CD1 3.65Å; A35-Y98 HydrophobicContact CB-CG 3.87Å; A35-L102 HydrophobicContact CB-CD1 4.09Å; A35-I118 CarbonylContact O-C 3.59Å; A35-I118 WeakPolarHBondContact O-CA 3.36Å; A35-I119 PolarHBondContact N-O 3.49Å; A35-I119 PolarHBondContact O-N 3.41Å
36M98.3Very high96.5Very high53 Ų5350.3 Ų50.326%0.26128%0.277SS..EExtended strand (participates in β ladder)trans-122116.9-176-64.1162.1-77.200109.4T34 P44 R45 I47 H117 I118T34-M36 HydrophobicContact CG2-CE 4.16Å; T34-M36 HydrophobicContact CG2-CG 4.02Å; T34-M36 HydrophobicContact CG2-SD 4.23Å; M36-P44 CarbonylContact O-C 3.59Å; M36-P44 WeakPolarHBondContact O-CA 3.42Å; M36-P44 WeakPolarHBondContact O-CB 3.12Å; M36-R45 HydrophobicContact CE-CB 4.37Å; M36-R45 HydrophobicContact CE-CG 4.37Å; M36-R45 PolarHBondContact N-O 3.2Å; M36-R45 PolarHBondContact O-N 3.5Å; M36-I47 HydrophobicContact CE-CD1 3.84Å; M36-I47 HydrophobicContact CE-CG1 4.32Å; M36-H117 WeakPolarHBondContact CA-O 3.3Å; M36-I118 HydrophobicContact CG-CD1 4.23Å; M36-I118 HydrophobicContact CG-CG1 4Å; M36-I118 HydrophobicContact CG-CG2 4.04Å
37S97.6Very high96.8Very high18 Ų1849.3 Ų49.313%0.12627%0.266CS..  trans-69.4150.2169.573.70000110.1S116 H117S37-S116 PolarHBondContact O-OG 3.02Å; S37-H117 PolarHBondContact N-O 2.8Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 2.93Å
38R95.6Very high96.9Very high76 Ų7647.8 Ų47.829%0.28726%0.259SS..  trans-143.772.5179.352.4174.2175.7-160-10.2110.7G40 R41 E43 D63R38-G40 PolarHBondContact O-N 3.16Å; R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 WeakPolarHBondContact CD-O 3.18Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 2.97Å; R38-R41 PolarHBondContact O-N 3.24Å; R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 2.79Å; R38-E43 PolarHBondContact NH2-O 3.21Å; R38-D63 IonicContact CZ-OD1 2.81Å; R38-D63 IonicContact CZ-OD2 3.45Å; R38-D63 IonicContact NH1-OD1 3.57Å; R38-D63 IonicContact NH1-OD2 3.51Å; R38-D63 PolarHBondContact NH1-OD2 2.82Å; R38-D63 IonicContact NH2-OD1 2.95Å; R38-D63 PolarHBondContact NH2-OD1 2.99Å; R38-D63 IonicContact NH2-OD2 3.71Å; R38-D63 PolarHBondContact NH2-OD2 3.43Å
39P92.6Very high97Very high55 Ų5547.9 Ų47.936%0.35726%0.259SS..THydrogen-bonded Turntrans-49.8131.2-176-26.534.6000112.3R41 E113 G115P39-R41 PolarHBondContact O-N 3.09Å; P39-E113 WeakPolarHBondContact CB-O 3.38Å; P39-E113 WeakPolarHBondContact CG-O 3.06Å; P39-G115 WeakPolarHBondContact CG-O 3.47Å
40G91.3Very high97Very high90 Ų9047.9 Ų47.993%0.92826%0.259SS*.THydrogen-bonded Turntrans74.71.3-177.700000115.8R38R38-G40 PolarHBondContact O-N 3.16Å
41R93.4Very high97Very high208 Ų20848.8 Ų48.879%0.78526%0.263SS*.SBendtrans-123.824.9179.8-58.7-175.3-178.1179.10.8113.4R38 P39R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 WeakPolarHBondContact CD-O 3.18Å; R38-R41 HydrophobicContact CG-CB 4.23Å; R38-R41 PolarHBondContact NE-O 2.97Å; R38-R41 PolarHBondContact O-N 3.24Å; P39-R41 PolarHBondContact O-N 3.09Å
42G91.9Very high97Very high58 Ų5848.2 Ų48.260%0.59826%0.26SS*.SBendtrans96-164.5178.900000113.9
43E94.9Very high96.9Very high87 Ų8745.8 Ų45.841%0.40725%0.251SS..SBendtrans-69.6154.3-178-70.5-63.4164.600112.4R38 R45 R99R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 2.79Å; R38-E43 PolarHBondContact NH2-O 3.21Å; E43-R45 PolarHBondContact O-N 3.02Å; E43-R99 WeakPolarHBondContact OE2-CD 3.44Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 VanDerWaalsContact OE2-CZ 3.28Å; E43-R99 IonicContact OE2-NE 3.58Å; E43-R99 PolarHBondContact OE2-NE 3.29Å; E43-R99 IonicContact OE2-NH2 3.71Å
44P96.8Very high96.8Very high22 Ų2248.5 Ų48.514%0.14327%0.266CS..PPolyproline II helixtrans-52.8136.1174.9-26.635.4000112.3M36 R99 L102M36-P44 CarbonylContact O-C 3.59Å; M36-P44 WeakPolarHBondContact O-CA 3.42Å; M36-P44 WeakPolarHBondContact O-CB 3.12Å; P44-R99 HydrophobicContact CG-CB 4.47Å; P44-R99 HydrophobicContact CG-CG 4.19Å; P44-L102 HydrophobicContact CB-CD1 3.54Å; P44-L102 HydrophobicContact CG-CD1 3.78Å
45R98.1Very high96.7Very high80 Ų8047.5 Ų47.530%0.30226%0.26SS..EExtended strand (participates in β ladder)trans-81.4132.4174.5-176.2-178.8-175.7179.4-1.3109.2A35 M36 E43 I47 D61 S62 D63A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.3Å; A35-R45 WeakPolarHBondContact CA-O 3.33Å; M36-R45 HydrophobicContact CE-CB 4.37Å; M36-R45 HydrophobicContact CE-CG 4.37Å; M36-R45 PolarHBondContact N-O 3.2Å; M36-R45 PolarHBondContact O-N 3.5Å; E43-R45 PolarHBondContact O-N 3.02Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; R45-D61 IonicContact CZ-OD1 2.74Å; R45-D61 IonicContact CZ-OD2 3.28Å; R45-D61 IonicContact NE-OD1 3.35Å; R45-D61 PolarHBondContact NE-OD1 2.86Å; R45-D61 IonicContact NE-OD2 3.95Å; R45-D61 IonicContact NH2-OD1 3.23Å; R45-D61 PolarHBondContact NH2-OD1 2.78Å; R45-D61 IonicContact NH2-OD2 3.69Å; R45-D61 PolarHBondContact NH2-OD2 2.82Å; R45-S62 WeakPolarHBondContact CA-OG 3.48Å; R45-D63 VanDerWaalsContact CD-OD2 3.25Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 3.33Å
46F98.6Very high96.7Very high2 Ų250 Ų501%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-116.1126.7176178.3-98.4000110.1Y33 T34 A35 A48 F60 S62 F91 N94 T95 Y98Y33-F46 HydrophobicContact CD1-CZ 4.33Å; Y33-F46 HydrophobicContact CD2-CE2 4.07Å; Y33-F46 AromaticContact CD2-CZ 3.79Å; Y33-F46 HydrophobicContact CD2-CZ 3.79Å; Y33-F46 HydrophobicContact CE2-CZ 4.26Å; Y33-F46 HydrophobicContact CG-CE2 4.1Å; Y33-F46 AromaticContact CG-CZ 3.82Å; Y33-F46 HydrophobicContact CG-CZ 3.82Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; F46-A48 HydrophobicContact CE1-CB 3.89Å; F46-A48 HydrophobicContact CZ-CB 4.07Å; F46-F60 AromaticContact CD1-CD1 3.82Å; F46-F60 HydrophobicContact CD1-CD1 3.82Å; F46-F60 AromaticContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 4.09Å; F46-F60 HydrophobicContact CE1-CE1 4.41Å; F46-S62 PolarHBondContact N-OG 2.91Å; F46-S62 PolarHBondContact O-N 2.03Å; F46-S62 PolarHBondContact O-OG 3.34Å; F46-F91 HydrophobicContact CE1-CB 4.37Å; F46-F91 HydrophobicContact CE1-CD1 4.22Å; F46-N94 HydrophobicContact CE1-CB 4.23Å; F46-N94 HydrophobicContact CE2-CB 4.35Å; F46-N94 HydrophobicContact CZ-CB 3.82Å; F46-T95 HydrophobicContact CB-CG2 3.96Å; F46-T95 VanDerWaalsContact CD1-OG1 3.29Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.45Å; F46-Y98 AromaticContact CD2-CD2 3.99Å; F46-Y98 HydrophobicContact CD2-CD2 3.99Å; F46-Y98 HydrophobicContact CD2-CG 4.08Å; F46-Y98 AromaticContact CE2-CD2 3.48Å; F46-Y98 HydrophobicContact CE2-CD2 3.48Å; F46-Y98 VanDerWaalsContact CE2-CD2 3.48Å; F46-Y98 AromaticContact CE2-CE2 3.76Å; F46-Y98 HydrophobicContact CE2-CE2 3.76Å; F46-Y98 AromaticContact CE2-CG 3.97Å; F46-Y98 HydrophobicContact CE2-CG 3.97Å; F46-Y98 HydrophobicContact CZ-CD2 4.38Å; F46-Y98 HydrophobicContact CZ-CE2 4.46Å
47I98.8Very high96.7Very high37 Ų3747.5 Ų47.519%0.1926%0.259CS..EExtended strand (participates in β ladder)trans-123.2134.4175.8-56.9175.7000107.7Y33 T34 M36 R45 V49 F60Y33-I47 CarbonylContact C-O 3.45Å; Y33-I47 WeakPolarHBondContact CA-O 3.44Å; T34-I47 PolarHBondContact N-O 2.85Å; T34-I47 PolarHBondContact O-N 3.02Å; M36-I47 HydrophobicContact CE-CD1 3.84Å; M36-I47 HydrophobicContact CE-CG1 4.32Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; I47-V49 HydrophobicContact CG2-CG1 4.44Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å
48A98.8Very high96.7Very high0 Ų046.6 Ų46.60%025%0.253CS..EExtended strand (participates in β ladder)trans-127.8138170.200000109.9F32 Y33 F46 R59 F60 F91F32-A48 WeakPolarHBondContact O-CA 3.49Å; Y33-A48 HydrophobicContact CD1-CB 3.45Å; Y33-A48 VanDerWaalsContact CD1-CB 3.45Å; Y33-A48 HydrophobicContact CE1-CB 3.66Å; Y33-A48 HydrophobicContact CG-CB 4.3Å; F46-A48 HydrophobicContact CE1-CB 3.89Å; F46-A48 HydrophobicContact CZ-CB 4.07Å; A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; A48-F60 HydrophobicContact CB-CB 4.3Å; A48-F60 PolarHBondContact N-O 2.86Å; A48-F60 PolarHBondContact O-N 3.4Å; A48-F91 HydrophobicContact CB-CD1 3.8Å; A48-F91 HydrophobicContact CB-CE1 3.54Å; A48-F91 HydrophobicContact CB-CG 4.49Å; A48-F91 HydrophobicContact CB-CZ 3.98Å
49V98.9Very high96.9Very high29 Ų2947 Ų4718%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-132144173-63.30000109.6Y31 F32 I47 Y51 Q56 V58 R59Y31-V49 CarbonylContact C-O 3.58Å; Y31-V49 WeakPolarHBondContact CA-O 3.32Å; F32-V49 HydrophobicContact CB-CG2 3.85Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.22Å; F32-V49 PolarHBondContact O-N 3.07Å; I47-V49 HydrophobicContact CG2-CG1 4.44Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.31Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50G98.8Very high97.2Very high0 Ų044.4 Ų44.40%024%0.237CC..EExtended strand (participates in β ladder)trans-119.1137.8176.500000110.5R30 Q56 F57 V58R30-G50 WeakPolarHBondContact O-CA 3.33Å; G50-Q56 WeakPolarHBondContact O-CA 3.41Å; G50-Q56 WeakPolarHBondContact O-CG 3.37Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 2.67Å; G50-V58 PolarHBondContact N-O 3.23Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.85Å
51Y98.7Very high97.5Very high71 Ų7140.8 Ų40.828%0.27820%0.197SC..EExtended strand (participates in β ladder)trans-125.4141.2178.7-78.3-102.3000110.5M29 R30 F32 V49 T55 Q56 F57M29-Y51 CarbonylContact C-O 3.49Å; M29-Y51 WeakPolarHBondContact CA-O 3.04Å; R30-Y51 PolarHBondContact N-O 2.93Å; R30-Y51 PolarHBondContact O-N 2.92Å; F32-Y51 HydrophobicContact CD2-CD2 4.14Å; F32-Y51 HydrophobicContact CE2-CD2 4.18Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 2.94Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.54Å; Y51-Q56 HydrophobicContact CE1-CG 4.29Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.8Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Y51-Q56 PolarHBondContact OH-OE1 2.81Å; Y51-F57 VanDerWaalsContact N-CE1 3.34Å
52V98.5Very high97.8Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-109.5119.1156.6176.90000106S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203S28-V52 CarbonylContact O-C 3.57Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.25Å; M29-V52 HydrophobicContact CG-CG2 4.35Å; V52-D54 PolarHBondContact O-N 2.93Å; V52-T55 PolarHBondContact N-O 2.94Å; V52-T55 PolarHBondContact O-N 2.79Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 3.99Å; V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.93Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-Y195 HydrophobicContact CG2-CG 4.5Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å
53D96.8Very high98Very high33 Ų3332.6 Ų32.618%0.17616%0.157CC..THydrogen-bonded Turntrans48-128.5-166.7-52.6-40.3000110.1H27 S28 T55H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.2Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 2.8Å; H27-D53 IonicContact ND1-OD1 3Å; H27-D53 IonicContact ND1-OD2 3.94Å; H27-D53 PolarHBondContact ND1-OD2 3.31Å; S28-D53 PolarHBondContact N-OD1 3.06Å; S28-D53 PolarHBondContact O-N 3.37Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 3.45Å
54D96.9Very high98.1Very high62 Ų6230.1 Ų30.133%0.33215%0.151SC..THydrogen-bonded Turntrans-88.111.9177.4-59.8-55000114.5V52 Y233 P234 A235 F265V52-D54 PolarHBondContact O-N 2.93Å; D54-Y233 HydrophobicContact CB-CE2 3.88Å; D54-P234 VanDerWaalsContact OD2-CB 3.22Å; D54-P234 WeakPolarHBondContact OD2-CB 3.35Å; D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.39Å; D54-A235 PolarHBondContact OD2-N 3.32Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.73Å
55T97.4Very high98.1Very high14 Ų1434.7 Ų34.79%0.08619%0.191CC..EExtended strand (participates in β ladder)trans-108.2112.8-177.6-60.70000111.6Y51 V52 D53 F57 L203 Y233 R263Y51-T55 WeakPolarHBondContact CA-O 2.94Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.94Å; V52-T55 PolarHBondContact O-N 2.79Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 3.45Å; T55-F57 PolarHBondContact O-N 2.89Å; T55-L203 HydrophobicContact CG2-CD2 4.13Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.42Å; T55-Y233 PolarHBondContact OG1-OH 3.24Å; T55-Y233 VanDerWaalsContact OG1-OH 3.08Å; T55-R263 PolarHBondContact OG1-NE 3.42Å
56Q98Very high98.1Very high55 Ų5534.4 Ų34.426%0.25720%0.201SC..EExtended strand (participates in β ladder)trans-66.7130.1173.1-166.4178.9-8.900110.5V49 G50 Y51 V58 R72V49-Q56 VanDerWaalsContact CG1-NE2 3.31Å; G50-Q56 WeakPolarHBondContact O-CA 3.41Å; G50-Q56 WeakPolarHBondContact O-CG 3.37Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.29Å; Y51-Q56 HydrophobicContact CE1-CB 3.54Å; Y51-Q56 HydrophobicContact CE1-CG 4.29Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.8Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Y51-Q56 PolarHBondContact OH-OE1 2.81Å; Q56-V58 PolarHBondContact NE2-O 3Å; Q56-V58 VanDerWaalsContact NE2-O 3.14Å; Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.41Å; Q56-R72 CarbonylContact O-C 3.59Å
57F98.3Very high98Very high0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-120.6-23-179.574.4-84.2000114.4M29 Y31 G50 Y51 V52 T55 R72 A73 W75 I76 Y195M29-F57 HydrophobicContact CG-CE1 4.38Å; M29-F57 HydrophobicContact CG-CZ 4.49Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 HydrophobicContact CE2-CZ 4.49Å; Y31-F57 AromaticContact CZ-CZ 3.74Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.31Å; G50-F57 WeakPolarHBondContact O-CD1 3.36Å; G50-F57 PolarHBondContact O-N 2.67Å; Y51-F57 VanDerWaalsContact N-CE1 3.34Å; V52-F57 HydrophobicContact CG2-CD1 3.99Å; V52-F57 HydrophobicContact CG2-CE1 3.99Å; T55-F57 PolarHBondContact O-N 2.89Å; F57-R72 PolarHBondContact O-N 3.14Å; F57-A73 HydrophobicContact CB-CB 4.16Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.06Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.13Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; F57-I76 HydrophobicContact CD2-CB 4.46Å; F57-I76 HydrophobicContact CD2-CD1 3.95Å; F57-I76 HydrophobicContact CD2-CG1 4.02Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.19Å; F57-Y195 HydrophobicContact CE2-CD2 4.28Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CE2 3.84Å
58V98.6Very high97.9Very high0 Ų041.1 Ų41.10%023%0.229CC..EExtended strand (participates in β ladder)trans-139.2157.3174.1-69.40000113.2Y31 V49 G50 Q56 M69 E70 I76 W84Y31-V58 HydrophobicContact CE1-CG2 3.93Å; V49-V58 WeakPolarHBondContact CA-O 3.33Å; G50-V58 PolarHBondContact N-O 3.23Å; G50-V58 VanDerWaalsContact N-O 3.1Å; G50-V58 PolarHBondContact O-N 2.85Å; Q56-V58 PolarHBondContact NE2-O 3Å; Q56-V58 VanDerWaalsContact NE2-O 3.14Å; V58-M69 HydrophobicContact CB-CG 4Å; V58-M69 HydrophobicContact CB-SD 4.04Å; V58-M69 HydrophobicContact CG1-CE 4.21Å; V58-M69 HydrophobicContact CG1-CG 4.05Å; V58-M69 HydrophobicContact CG1-SD 3.84Å; V58-M69 HydrophobicContact CG2-SD 4.28Å; V58-E70 WeakPolarHBondContact CA-O 3.48Å; V58-I76 HydrophobicContact CG1-CG1 4.4Å; V58-W84 HydrophobicContact CG1-CH2 4.24Å; V58-W84 HydrophobicContact CG1-CZ3 4.05Å
59R98.6Very high97.9Very high83 Ų8341.5 Ų41.531%0.31323%0.231SC..EExtended strand (participates in β ladder)trans-142147.3170.6179.8173.9169.8175.2-3.8111.1A48 V49 D61 M69 E70 R72A48-R59 CarbonylContact O-C 3.55Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; V49-R59 HydrophobicContact CG1-CB 4.48Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact CZ-OD2 3.9Å; R59-D61 IonicContact NH2-OD2 2.72Å; R59-D61 PolarHBondContact NH2-OD2 3.29Å; R59-M69 WeakPolarHBondContact O-CA 3.22Å; R59-E70 PolarHBondContact N-O 2.89Å; R59-E70 PolarHBondContact O-N 2.89Å; R59-R72 HydrophobicContact CB-CG 3.93Å
60F98.8Very high97.9Very high1 Ų143.6 Ų43.60%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-134.1141.8164.5177.7-85.2000109.3F46 I47 A48 P67 R68 F91 K92F46-F60 AromaticContact CD1-CD1 3.82Å; F46-F60 HydrophobicContact CD1-CD1 3.82Å; F46-F60 AromaticContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CD1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CD1 4.09Å; F46-F60 HydrophobicContact CE1-CE1 4.41Å; I47-F60 WeakPolarHBondContact CA-O 3.42Å; A48-F60 HydrophobicContact CB-CB 4.3Å; A48-F60 PolarHBondContact N-O 2.86Å; A48-F60 PolarHBondContact O-N 3.4Å; F60-P67 HydrophobicContact CE2-CB 3.94Å; F60-P67 HydrophobicContact CZ-CB 3.75Å; F60-R68 WeakPolarHBondContact CD2-O 3.37Å; F60-F91 HydrophobicContact CB-CB 4.18Å; F60-F91 HydrophobicContact CB-CD2 3.5Å; F60-F91 VanDerWaalsContact CB-CD2 3.5Å; F60-F91 HydrophobicContact CB-CE2 3.95Å; F60-F91 HydrophobicContact CB-CG 3.9Å; F60-F91 HydrophobicContact CD1-CB 3.8Å; F60-F91 HydrophobicContact CD1-CG 4.36Å; F60-F91 HydrophobicContact CD2-CB 3.58Å; F60-F91 AromaticContact CD2-CD2 3.87Å; F60-F91 HydrophobicContact CD2-CD2 3.87Å; F60-F91 HydrophobicContact CD2-CG 4.12Å; F60-F91 HydrophobicContact CE1-CB 4.04Å; F60-F91 HydrophobicContact CE2-CB 3.82Å; F60-F91 HydrophobicContact CG-CB 3.57Å; F60-F91 AromaticContact CG-CD2 3.8Å; F60-F91 HydrophobicContact CG-CD2 3.8Å; F60-F91 AromaticContact CG-CG 3.88Å; F60-F91 HydrophobicContact CG-CG 3.88Å; F60-F91 HydrophobicContact CZ-CB 4.04Å; F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.16Å
61D98.6Very high97.9Very high15 Ų1546 Ų468%0.0825%0.254CS..EExtended strand (participates in β ladder)trans-139.3119.2177.4-161.3-28.2000109.5R45 R59 D63 A64R45-D61 IonicContact CZ-OD1 2.74Å; R45-D61 IonicContact CZ-OD2 3.28Å; R45-D61 IonicContact NE-OD1 3.35Å; R45-D61 PolarHBondContact NE-OD1 2.86Å; R45-D61 IonicContact NE-OD2 3.95Å; R45-D61 IonicContact NH2-OD1 3.23Å; R45-D61 PolarHBondContact NH2-OD1 2.78Å; R45-D61 IonicContact NH2-OD2 3.69Å; R45-D61 PolarHBondContact NH2-OD2 2.82Å; R59-D61 IonicContact CZ-OD2 3.9Å; R59-D61 IonicContact NH2-OD2 2.72Å; R59-D61 PolarHBondContact NH2-OD2 3.29Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 2.79Å; D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.98Å
62S98.2Very high97.8Very high26 Ų2648.1 Ų48.118%0.18226%0.262CS..THydrogen-bonded Turntrans-66.3-21.1-178.568.80000113.4R45 F46 P67R45-S62 WeakPolarHBondContact CA-OG 3.48Å; F46-S62 PolarHBondContact N-OG 2.91Å; F46-S62 PolarHBondContact O-N 2.03Å; F46-S62 PolarHBondContact O-OG 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.47Å
63D97.4Very high97.7Very high68 Ų6848.3 Ų48.336%0.36426%0.263SS..THydrogen-bonded Turntrans-88.4-2.5179.6-79.15.3000112.8R38 R45 D61R38-D63 IonicContact CZ-OD1 2.81Å; R38-D63 IonicContact CZ-OD2 3.45Å; R38-D63 IonicContact NH1-OD1 3.57Å; R38-D63 IonicContact NH1-OD2 3.51Å; R38-D63 PolarHBondContact NH1-OD2 2.82Å; R38-D63 IonicContact NH2-OD1 2.95Å; R38-D63 PolarHBondContact NH2-OD1 2.99Å; R38-D63 IonicContact NH2-OD2 3.71Å; R38-D63 PolarHBondContact NH2-OD2 3.43Å; R45-D63 VanDerWaalsContact CD-OD2 3.25Å; R45-D63 WeakPolarHBondContact CD-OD2 3.47Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 3.33Å; D61-D63 PolarHBondContact O-N 2.91Å; D61-D63 PolarHBondContact OD1-N 2.79Å
64A97.3Very high97.7Very high34 Ų3451.8 Ų51.828%0.28129%0.288SS..SBendtrans-62.4149.5173.800000110.9D61 S66 P67D61-A64 HydrophobicContact CB-CB 4.47Å; D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.98Å; A64-S66 PolarHBondContact O-N 2.83Å; A64-P67 WeakPolarHBondContact O-CD 3.34Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.16Å
65A96.9Very high97.7Very high119 Ų11949.8 Ų49.898%0.98328%0.275SS*.SBendtrans-58.6-32.3179.900000113
66S96.4Very high97.8Very high73 Ų7349.1 Ų49.151%0.5127%0.271SS..SBendtrans-133.888.8171.3-174.80000108.5A64 R68A64-S66 PolarHBondContact O-N 2.83Å; S66-R68 PolarHBondContact O-N 3.1Å
67P97.1Very high97.7Very high37 Ų3752.4 Ų52.424%0.2429%0.287CS..  trans-61.6111.9-174.6-25.235.6000111.7F60 S62 A64 K92F60-P67 HydrophobicContact CE2-CB 3.94Å; F60-P67 HydrophobicContact CZ-CB 3.75Å; S62-P67 WeakPolarHBondContact O-CG 3.47Å; A64-P67 WeakPolarHBondContact O-CD 3.34Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.16Å; P67-K92 WeakPolarHBondContact O-CE 3.42Å
68R97.9Very high97.6Very high144 Ų14458.1 Ų58.154%0.54331%0.313SS..  trans-142.1157.1177.6-65.9-171.1174.6-175.2-5.3109.8F60 S66 T88F60-R68 WeakPolarHBondContact CD2-O 3.37Å; S66-R68 PolarHBondContact O-N 3.1Å; R68-T88 HydrophobicContact CB-CG2 4.31Å; R68-T88 HydrophobicContact CG-CG2 4.18Å
69M98.2Very high97.5Very high8 Ų858.7 Ų58.74%0.03932%0.316CS..  trans-71.8128.2167.9-174.4174.274.400108.5V58 R59 Y83 W84 N87 T88 F91V58-M69 HydrophobicContact CB-CG 4Å; V58-M69 HydrophobicContact CB-SD 4.04Å; V58-M69 HydrophobicContact CG1-CE 4.21Å; V58-M69 HydrophobicContact CG1-CG 4.05Å; V58-M69 HydrophobicContact CG1-SD 3.84Å; V58-M69 HydrophobicContact CG2-SD 4.28Å; R59-M69 WeakPolarHBondContact O-CA 3.22Å; M69-Y83 HydrophobicContact CE-CD1 3.85Å; M69-Y83 HydrophobicContact CE-CE1 3.23Å; M69-W84 HydrophobicContact CB-CE3 4.3Å; M69-W84 HydrophobicContact CE-CD2 4.24Å; M69-W84 HydrophobicContact CE-CE3 3.33Å; M69-W84 HydrophobicContact CE-CH2 4.45Å; M69-W84 HydrophobicContact CE-CZ3 3.47Å; M69-W84 VanDerWaalsContact CE-CZ3 3.47Å; M69-W84 HydrophobicContact CG-CE3 4.17Å; M69-W84 HydrophobicContact CG-CZ3 4Å; M69-W84 HydrophobicContact SD-CZ3 4.44Å; M69-N87 HydrophobicContact CE-CB 3.33Å; M69-N87 HydrophobicContact SD-CB 3.49Å; M69-N87 WeakPolarHBondContact SD-CB 3.49Å; M69-T88 PolarHBondContact N-OG1 2.83Å; M69-F91 HydrophobicContact CB-CD2 4.03Å; M69-F91 HydrophobicContact CB-CE2 4.04Å; M69-F91 HydrophobicContact CG-CD2 4.22Å; M69-F91 HydrophobicContact CG-CE2 3.7Å; M69-F91 HydrophobicContact SD-CD2 4.27Å; M69-F91 HydrophobicContact SD-CE2 3.46Å; M69-F91 WeakPolarHBondContact SD-CE2 3.22Å; M69-F91 HydrophobicContact SD-CZ 4.27Å
70E98.2Very high97.5Very high72 Ų7256.4 Ų56.434%0.33632%0.318SS..EExtended strand (participates in β ladder)trans-114.5140.4-176.5-63.5173.8161.700110.4V58 R59 R72V58-E70 WeakPolarHBondContact CA-O 3.48Å; R59-E70 PolarHBondContact N-O 2.89Å; R59-E70 PolarHBondContact O-N 2.89Å; E70-R72 IonicContact OE2-CZ 3.63Å; E70-R72 IonicContact OE2-NH2 3.99Å; E70-R72 PolarHBondContact OE2-NH2 3.29Å
71P98.3Very high97.4Very high50 Ų5060.9 Ų60.933%0.32535%0.347SS..EExtended strand (participates in β ladder)trans-66.6146.3172.229-34.1000111I76 E77 W84P71-I76 HydrophobicContact CB-CG2 3.72Å; P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 4.12Å; P71-W84 HydrophobicContact CB-CZ3 4.37Å; P71-W84 HydrophobicContact CG-CH2 4.26Å
72R97.8Very high97.4Very high117 Ų11768.1 Ų68.144%0.44238%0.381SS..  trans-129.90.7174.3-61.2-65.4171.4178.1-3113.5Q56 F57 R59 E70Q56-R72 HydrophobicContact CG-CB 4.16Å; Q56-R72 HydrophobicContact CG-CG 4.41Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 3.14Å; R59-R72 HydrophobicContact CB-CG 3.93Å; E70-R72 IonicContact OE2-CZ 3.63Å; E70-R72 IonicContact OE2-NH2 3.99Å; E70-R72 PolarHBondContact OE2-NH2 3.29Å
73A96.7Very high97.4Very high4 Ų467.5 Ų67.53%0.03337%0.374CS..SBendtrans-139.3144.8173.300000110.7F57 W75 I76F57-A73 HydrophobicContact CB-CB 4.16Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 3.21Å; A73-I76 WeakPolarHBondContact O-CG2 3.33Å; A73-I76 PolarHBondContact O-N 3.14Å
74P96.9Very high97.4Very high106 Ų10666.1 Ų66.169%0.68836%0.364SS*.G310 helixtrans-59-38-177.3-26.735.1000114I76 E77P74-I76 PolarHBondContact O-N 2.89Å; P74-E77 WeakPolarHBondContact O-CB 3.39Å; P74-E77 PolarHBondContact O-N 3.44Å; P74-E77 VanDerWaalsContact O-N 3.11Å
75W96.8Very high97.5Very high19 Ų1969.3 Ų69.37%0.07238%0.377CS..G310 helixtrans-69.8-14.2-175.853.8-106.5000114.4V52 F57 A73 Q78 Y195 L203V52-W75 HydrophobicContact CB-CH2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.93Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.97Å; F57-W75 HydrophobicContact CD1-CH2 4.06Å; F57-W75 AromaticContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CH2 3.84Å; F57-W75 HydrophobicContact CD2-CZ3 4.13Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.4Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 3.21Å; W75-Q78 WeakPolarHBondContact O-CG 3.36Å; W75-Q78 PolarHBondContact O-NE2 2.74Å; W75-Y195 HydrophobicContact CH2-CG 4.25Å; W75-Y195 AromaticContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD2 4.38Å; W75-Y195 AromaticContact CZ3-CG 3.7Å; W75-Y195 HydrophobicContact CZ3-CG 3.7Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.37Å
76I97.9Very high97.5Very high0 Ų070 Ų700%035%0.354CS..G310 helixtrans-88.5-20.2173.5-16272.3000111.8F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195F57-I76 HydrophobicContact CD2-CB 4.46Å; F57-I76 HydrophobicContact CD2-CD1 3.95Å; F57-I76 HydrophobicContact CD2-CG1 4.02Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.29Å; F57-I76 WeakPolarHBondContact O-CG2 3.19Å; V58-I76 HydrophobicContact CG1-CG1 4.4Å; P71-I76 HydrophobicContact CB-CG2 3.72Å; A73-I76 WeakPolarHBondContact O-CG2 3.33Å; A73-I76 PolarHBondContact O-N 3.14Å; P74-I76 PolarHBondContact O-N 2.89Å; I76-Q78 PolarHBondContact O-N 2.76Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; I76-E79 HydrophobicContact CD1-CG 3.71Å; I76-E79 HydrophobicContact CG1-CG 4.17Å; I76-E79 WeakPolarHBondContact O-CB 3.11Å; I76-E79 WeakPolarHBondContact O-CG 3.26Å; I76-E79 PolarHBondContact O-N 2.72Å; I76-Y83 HydrophobicContact CD1-CE1 4.19Å; I76-Y83 HydrophobicContact CG1-CE1 4.16Å; I76-W84 HydrophobicContact CG1-CH2 3.9Å; I76-W84 HydrophobicContact CG1-CZ2 4.16Å; I76-W84 HydrophobicContact CG2-CH2 3.95Å; I76-W84 HydrophobicContact CG2-CZ2 4.4Å; I76-W84 WeakPolarHBondContact O-CZ2 3.38Å; I76-Y195 HydrophobicContact CD1-CD1 3.78Å; I76-Y195 HydrophobicContact CD1-CE1 3.27Å
77E96.9Very high97.6Very high124 Ų12467.5 Ų67.558%0.57934%0.335SS*.THydrogen-bonded Turntrans-63.7-23.9-175.5-65.4-179.5-173.400113.2P71 P74 E79P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.39Å; P74-E77 PolarHBondContact O-N 3.44Å; P74-E77 VanDerWaalsContact O-N 3.11Å; E77-E79 PolarHBondContact O-N 2.7Å
78Q95.9Very high97.6Very high121 Ų12166.2 Ų66.257%0.56533%0.326SS*.THydrogen-bonded Turntrans-71.1-11.6175.767.1-178.7-0.200114.2W75 I76 N198W75-Q78 WeakPolarHBondContact O-CG 3.36Å; W75-Q78 PolarHBondContact O-NE2 2.74Å; I76-Q78 PolarHBondContact O-N 2.76Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-N198 PolarHBondContact NE2-ND2 3Å; Q78-N198 PolarHBondContact NE2-OD1 3.03Å
79E97.6Very high97.7Very high11 Ų1164.7 Ų64.75%0.05133%0.325CS..SBendtrans-64.8137175.4-66.7-61.6161.900110.9I76 E77 Y83 W84 R194 N198I76-E79 HydrophobicContact CD1-CG 3.71Å; I76-E79 HydrophobicContact CG1-CG 4.17Å; I76-E79 WeakPolarHBondContact O-CB 3.11Å; I76-E79 WeakPolarHBondContact O-CG 3.26Å; I76-E79 PolarHBondContact O-N 2.72Å; E77-E79 PolarHBondContact O-N 2.7Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.82Å; E79-Y83 HydrophobicContact CG-CD1 3.98Å; E79-Y83 HydrophobicContact CG-CE1 4.15Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; E79-W84 HydrophobicContact CB-CZ2 4.44Å; E79-W84 PolarHBondContact O-NE1 2.81Å; E79-R194 IonicContact OE1-CZ 2.75Å; E79-R194 IonicContact OE1-NE 3.81Å; E79-R194 PolarHBondContact OE1-NE 3.27Å; E79-R194 IonicContact OE1-NH2 3.8Å; E79-R194 PolarHBondContact OE1-NH2 2.95Å; E79-R194 IonicContact OE2-CZ 3.08Å; E79-R194 IonicContact OE2-NE 2.76Å; E79-R194 IonicContact OE2-NH2 2.84Å; E79-R194 PolarHBondContact OE2-NH2 3Å; E79-N198 PolarHBondContact OE1-ND2 3.04Å
80G97.1Very high97.6Very high35 Ų3567.8 Ų67.836%0.36134%0.341SS..  trans-69.1166.4-175.400000114E82 Y83 W84G80-E82 PolarHBondContact O-N 2.62Å; G80-E82 VanDerWaalsContact O-N 3.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.88Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å
81P97.6Very high97.6Very high95 Ų9564.5 Ų64.562%0.61733%0.326SS*.Hα-helixtrans-56.7-34.7-177.522.3-33.4000113.4Y83 W84 D85P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.38Å; P81-W84 PolarHBondContact O-N 3.47Å; P81-W84 VanDerWaalsContact O-N 3.13Å; P81-D85 WeakPolarHBondContact O-CB 3.28Å; P81-D85 PolarHBondContact O-N 2.95Å
82E97.9Very high97.6Very high168 Ų16866 Ų6679%0.78533%0.327SS*.Hα-helixtrans-58.9-37177.3-63.4-179.9-179.200112.8G80 R86G80-E82 PolarHBondContact O-N 2.62Å; G80-E82 VanDerWaalsContact O-N 3.16Å; E82-R86 WeakPolarHBondContact O-CB 3.37Å; E82-R86 PolarHBondContact O-N 3.18Å
83Y97.9Very high97.6Very high12 Ų1264 Ų645%0.04733%0.328CS..Hα-helixtrans-65.1-46.3176.1169.9-95.3000110.8M69 I76 E79 G80 P81 N87 W191 Y195M69-Y83 HydrophobicContact CE-CD1 3.85Å; M69-Y83 HydrophobicContact CE-CE1 3.23Å; I76-Y83 HydrophobicContact CD1-CE1 4.19Å; I76-Y83 HydrophobicContact CG1-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.82Å; E79-Y83 HydrophobicContact CG-CD1 3.98Å; E79-Y83 HydrophobicContact CG-CE1 4.15Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.88Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.38Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.25Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.28Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.4Å; Y83-N87 WeakPolarHBondContact O-CB 3.4Å; Y83-N87 PolarHBondContact O-N 2.9Å; Y83-N87 VanDerWaalsContact O-N 3.1Å; Y83-N87 PolarHBondContact O-ND2 2.94Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.14Å; Y83-W191 AromaticContact CD2-CZ3 3.96Å; Y83-W191 HydrophobicContact CD2-CZ3 3.96Å; Y83-W191 HydrophobicContact CE2-CE3 4.41Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CZ2 4.42Å; Y83-W191 AromaticContact CE2-CZ3 3.92Å; Y83-W191 HydrophobicContact CE2-CZ3 3.92Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 PolarHBondContact OH-OH 2.84Å
84W98.4Very high97.7Very high39 Ų3965 Ų6515%0.14833%0.333CS..Hα-helixtrans-67-44.1-179.3-63.2108.9000112.3V58 M69 P71 I76 E79 G80 P81 T88V58-W84 HydrophobicContact CG1-CH2 4.24Å; V58-W84 HydrophobicContact CG1-CZ3 4.05Å; M69-W84 HydrophobicContact CB-CE3 4.3Å; M69-W84 HydrophobicContact CE-CD2 4.24Å; M69-W84 HydrophobicContact CE-CE3 3.33Å; M69-W84 HydrophobicContact CE-CH2 4.45Å; M69-W84 HydrophobicContact CE-CZ3 3.47Å; M69-W84 VanDerWaalsContact CE-CZ3 3.47Å; M69-W84 HydrophobicContact CG-CE3 4.17Å; M69-W84 HydrophobicContact CG-CZ3 4Å; M69-W84 HydrophobicContact SD-CZ3 4.44Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 4.12Å; P71-W84 HydrophobicContact CB-CZ3 4.37Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; I76-W84 HydrophobicContact CG1-CH2 3.9Å; I76-W84 HydrophobicContact CG1-CZ2 4.16Å; I76-W84 HydrophobicContact CG2-CH2 3.95Å; I76-W84 HydrophobicContact CG2-CZ2 4.4Å; I76-W84 WeakPolarHBondContact O-CZ2 3.38Å; E79-W84 HydrophobicContact CB-CZ2 4.44Å; E79-W84 PolarHBondContact O-NE1 2.81Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; P81-W84 PolarHBondContact O-N 3.47Å; P81-W84 VanDerWaalsContact O-N 3.13Å; W84-T88 WeakPolarHBondContact O-CB 3.36Å; W84-T88 PolarHBondContact O-N 3.42Å; W84-T88 PolarHBondContact O-OG1 3.03Å
85D98.3Very high97.7Very high102 Ų10260.7 Ų60.755%0.54531%0.305SS..Hα-helixtrans-66.9-46.2179.9-74.1-22.7000111.3P81 T88 Q89P81-D85 WeakPolarHBondContact O-CB 3.28Å; P81-D85 PolarHBondContact O-N 2.95Å; D85-T88 PolarHBondContact O-N 3.04Å; D85-Q89 PolarHBondContact O-N 3.36Å
86R97.9Very high97.7Very high133 Ų13363.9 Ų63.950%0.50232%0.32SS..Hα-helixtrans-59.3-51.3178.1-175.4-178.273.2-177.73111.6E82 Q89 I90E82-R86 WeakPolarHBondContact O-CB 3.37Å; E82-R86 PolarHBondContact O-N 3.18Å; R86-Q89 PolarHBondContact O-N 3.07Å; R86-I90 HydrophobicContact CG-CD1 4.31Å; R86-I90 WeakPolarHBondContact O-CG1 3.19Å; R86-I90 PolarHBondContact O-N 3.5Å
87N97.8Very high97.7Very high20 Ų2066.9 Ų66.911%0.10734%0.338CS..Hα-helixtrans-71.4-33.8-177.7-74.2-68.8000112.6M69 Y83 Q89 I90 F91M69-N87 HydrophobicContact CE-CB 3.33Å; M69-N87 HydrophobicContact SD-CB 3.49Å; M69-N87 WeakPolarHBondContact SD-CB 3.49Å; Y83-N87 VanDerWaalsContact CD2-ND2 3.25Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.28Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.4Å; Y83-N87 WeakPolarHBondContact O-CB 3.4Å; Y83-N87 PolarHBondContact O-N 2.9Å; Y83-N87 VanDerWaalsContact O-N 3.1Å; Y83-N87 PolarHBondContact O-ND2 2.94Å; N87-Q89 VanDerWaalsContact C-N 3.27Å; N87-Q89 PolarHBondContact O-N 3.35Å; N87-I90 WeakPolarHBondContact O-CB 3.41Å; N87-I90 PolarHBondContact O-N 3.38Å; N87-F91 WeakPolarHBondContact O-CD2 3.47Å; N87-F91 PolarHBondContact O-N 3.24Å
88T98.5Very high97.7Very high10 Ų1061.6 Ų61.66%0.06131%0.313CS..Hα-helixtrans-57.3-44.2170-690000110.8R68 M69 W84 D85 F91 K92R68-T88 HydrophobicContact CB-CG2 4.31Å; R68-T88 HydrophobicContact CG-CG2 4.18Å; M69-T88 PolarHBondContact N-OG1 2.83Å; W84-T88 WeakPolarHBondContact O-CB 3.36Å; W84-T88 PolarHBondContact O-N 3.42Å; W84-T88 PolarHBondContact O-OG1 3.03Å; D85-T88 PolarHBondContact O-N 3.04Å; T88-F91 PolarHBondContact O-N 3.02Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.42Å
89Q98.4Very high97.8Very high112 Ų11258.1 Ų58.152%0.52330%0.295SS..Hα-helixtrans-66.6-39178-169.859.119.500112.1D85 R86 N87 F91 K92 T93D85-Q89 PolarHBondContact O-N 3.36Å; R86-Q89 PolarHBondContact O-N 3.07Å; N87-Q89 VanDerWaalsContact C-N 3.27Å; N87-Q89 PolarHBondContact O-N 3.35Å; Q89-F91 VanDerWaalsContact C-N 3.35Å; Q89-F91 PolarHBondContact O-N 3.04Å; Q89-K92 PolarHBondContact O-N 3.34Å; Q89-T93 PolarHBondContact O-N 3.44Å; Q89-T93 PolarHBondContact O-OG1 3.05Å; Q89-T93 VanDerWaalsContact O-OG1 3.13Å
90I97.6Very high97.8Very high73 Ų7363.2 Ų63.237%0.37432%0.319SS..Hα-helixtrans-56.9-47.7173-69.5167.6000110.7R86 N87 K92 T93 N94R86-I90 HydrophobicContact CG-CD1 4.31Å; R86-I90 WeakPolarHBondContact O-CG1 3.19Å; R86-I90 PolarHBondContact O-N 3.5Å; N87-I90 WeakPolarHBondContact O-CB 3.41Å; N87-I90 PolarHBondContact O-N 3.38Å; I90-K92 PolarHBondContact O-N 3.49Å; I90-T93 PolarHBondContact O-N 2.86Å; I90-N94 WeakPolarHBondContact O-CB 3.44Å; I90-N94 PolarHBondContact O-N 3.2Å; I90-N94 PolarHBondContact O-ND2 2.96Å
91F98.2Very high97.8Very high4 Ų463.4 Ų63.42%0.01832%0.315CS..Hα-helixtrans-67.6-33.6178.7-68.5-43.2000113.8Y33 F46 A48 F60 M69 N87 T88 Q89 N94 T95Y33-F91 HydrophobicContact CE1-CD1 4.34Å; Y33-F91 AromaticContact CE1-CE1 3.6Å; Y33-F91 HydrophobicContact CE1-CE1 3.6Å; Y33-F91 AromaticContact CZ-CE1 3.68Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.47Å; F46-F91 HydrophobicContact CE1-CB 4.37Å; F46-F91 HydrophobicContact CE1-CD1 4.22Å; A48-F91 HydrophobicContact CB-CD1 3.8Å; A48-F91 HydrophobicContact CB-CE1 3.54Å; A48-F91 HydrophobicContact CB-CG 4.49Å; A48-F91 HydrophobicContact CB-CZ 3.98Å; F60-F91 HydrophobicContact CB-CB 4.18Å; F60-F91 HydrophobicContact CB-CD2 3.5Å; F60-F91 VanDerWaalsContact CB-CD2 3.5Å; F60-F91 HydrophobicContact CB-CE2 3.95Å; F60-F91 HydrophobicContact CB-CG 3.9Å; F60-F91 HydrophobicContact CD1-CB 3.8Å; F60-F91 HydrophobicContact CD1-CG 4.36Å; F60-F91 HydrophobicContact CD2-CB 3.58Å; F60-F91 AromaticContact CD2-CD2 3.87Å; F60-F91 HydrophobicContact CD2-CD2 3.87Å; F60-F91 HydrophobicContact CD2-CG 4.12Å; F60-F91 HydrophobicContact CE1-CB 4.04Å; F60-F91 HydrophobicContact CE2-CB 3.82Å; F60-F91 HydrophobicContact CG-CB 3.57Å; F60-F91 AromaticContact CG-CD2 3.8Å; F60-F91 HydrophobicContact CG-CD2 3.8Å; F60-F91 AromaticContact CG-CG 3.88Å; F60-F91 HydrophobicContact CG-CG 3.88Å; F60-F91 HydrophobicContact CZ-CB 4.04Å; M69-F91 HydrophobicContact CB-CD2 4.03Å; M69-F91 HydrophobicContact CB-CE2 4.04Å; M69-F91 HydrophobicContact CG-CD2 4.22Å; M69-F91 HydrophobicContact CG-CE2 3.7Å; M69-F91 HydrophobicContact SD-CD2 4.27Å; M69-F91 HydrophobicContact SD-CE2 3.46Å; M69-F91 WeakPolarHBondContact SD-CE2 3.22Å; M69-F91 HydrophobicContact SD-CZ 4.27Å; N87-F91 WeakPolarHBondContact O-CD2 3.47Å; N87-F91 PolarHBondContact O-N 3.24Å; T88-F91 PolarHBondContact O-N 3.02Å; Q89-F91 VanDerWaalsContact C-N 3.35Å; Q89-F91 PolarHBondContact O-N 3.04Å; F91-N94 PolarHBondContact O-N 2.98Å; F91-T95 PolarHBondContact O-N 2.74Å; F91-T95 PolarHBondContact O-OG1 3.28Å
92K98Very high97.8Very high82 Ų8259.2 Ų59.236%0.35729%0.287SS..Hα-helixtrans-64.6-42.6172.2-74.8178.2177.2179.60111.8F60 P67 T88 Q89 I90 T95 Q96F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.16Å; P67-K92 WeakPolarHBondContact O-CE 3.42Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.42Å; Q89-K92 PolarHBondContact O-N 3.34Å; I90-K92 PolarHBondContact O-N 3.49Å; K92-T95 WeakPolarHBondContact O-CB 3.12Å; K92-T95 PolarHBondContact O-N 3.17Å; K92-Q96 PolarHBondContact O-N 2.89Å
93T98.1Very high97.8Very high73 Ų7357.5 Ų57.545%0.44827%0.273SS..Hα-helixtrans-63.8-43.5173.8-60.90000111.5Q89 I90 T95 Q96 T97Q89-T93 PolarHBondContact O-N 3.44Å; Q89-T93 PolarHBondContact O-OG1 3.05Å; Q89-T93 VanDerWaalsContact O-OG1 3.13Å; I90-T93 PolarHBondContact O-N 2.86Å; T93-T95 VanDerWaalsContact C-N 3.31Å; T93-T95 PolarHBondContact O-N 2.98Å; T93-Q96 PolarHBondContact O-N 3.27Å; T93-Q96 VanDerWaalsContact O-N 3.15Å; T93-T97 PolarHBondContact O-N 2.92Å; T93-T97 PolarHBondContact O-OG1 3.03Å
94N97.4Very high97.8Very high27 Ų2760.6 Ų60.614%0.14429%0.291CS..Hα-helixtrans-60.8-40.4174.9-78.8-32.8000111.4Y33 F46 I90 F91 Q96 T97 Y98Y33-N94 WeakPolarHBondContact CE2-ND2 3.42Å; F46-N94 HydrophobicContact CE1-CB 4.23Å; F46-N94 HydrophobicContact CE2-CB 4.35Å; F46-N94 HydrophobicContact CZ-CB 3.82Å; I90-N94 WeakPolarHBondContact O-CB 3.44Å; I90-N94 PolarHBondContact O-N 3.2Å; I90-N94 PolarHBondContact O-ND2 2.96Å; F91-N94 PolarHBondContact O-N 2.98Å; N94-Q96 PolarHBondContact O-N 2.94Å; N94-T97 WeakPolarHBondContact O-CB 3.45Å; N94-T97 PolarHBondContact O-N 3.44Å; N94-Y98 HydrophobicContact CB-CD2 4.32Å; N94-Y98 HydrophobicContact CB-CE2 4.45Å; N94-Y98 VanDerWaalsContact O-CD2 3.28Å; N94-Y98 WeakPolarHBondContact O-CD2 3.29Å; N94-Y98 PolarHBondContact O-N 2.93Å
95T97.8Very high97.7Very high15 Ų1559.2 Ų59.29%0.09229%0.286CS..Hα-helixtrans-53.9-40.3175.8-58.40000111.9F46 F91 K92 T93 R99F46-T95 HydrophobicContact CB-CG2 3.96Å; F46-T95 VanDerWaalsContact CD1-OG1 3.29Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.45Å; F91-T95 PolarHBondContact O-N 2.74Å; F91-T95 PolarHBondContact O-OG1 3.28Å; K92-T95 WeakPolarHBondContact O-CB 3.12Å; K92-T95 PolarHBondContact O-N 3.17Å; T93-T95 VanDerWaalsContact C-N 3.31Å; T93-T95 PolarHBondContact O-N 2.98Å; T95-R99 PolarHBondContact O-N 3.39Å
96Q97.5Very high97.7Very high86 Ų8657.3 Ų57.340%0.40227%0.272SS..Hα-helixtrans-71.9-44.1175.2-54.8-50.7-58.700111.9K92 T93 N94 Y98 R99 E100K92-Q96 PolarHBondContact O-N 2.89Å; T93-Q96 PolarHBondContact O-N 3.27Å; T93-Q96 VanDerWaalsContact O-N 3.15Å; N94-Q96 PolarHBondContact O-N 2.94Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.44Å; Q96-R99 WeakPolarHBondContact O-CB 3.32Å; Q96-R99 PolarHBondContact O-N 2.86Å; Q96-R99 VanDerWaalsContact O-N 3.14Å; Q96-E100 PolarHBondContact O-N 3Å
97T97.3Very high97.7Very high62 Ų6253 Ų5338%0.3827%0.269SS..Hα-helixtrans-58.4-42.5178.9-55.90000111.9T93 N94 E100 S101T93-T97 PolarHBondContact O-N 2.92Å; T93-T97 PolarHBondContact O-OG1 3.03Å; N94-T97 WeakPolarHBondContact O-CB 3.45Å; N94-T97 PolarHBondContact O-N 3.44Å; T97-E100 PolarHBondContact O-N 3.5Å; T97-S101 WeakPolarHBondContact O-CB 3.22Å; T97-S101 PolarHBondContact O-N 2.9Å; T97-S101 PolarHBondContact O-OG 3.45Å
98Y97.5Very high97.7Very high13 Ų1354.8 Ų54.85%0.05127%0.274CS..Hα-helixtrans-72.7-30.8178.4-84.9-89.5000112.8Y33 A35 F46 N94 Q96 S101 L102 I119 R121Y33-Y98 AromaticContact CD2-CE2 3.75Å; Y33-Y98 HydrophobicContact CD2-CE2 3.75Å; Y33-Y98 AromaticContact CD2-CZ 3.95Å; A35-Y98 HydrophobicContact CB-CD1 3.65Å; A35-Y98 HydrophobicContact CB-CG 3.87Å; F46-Y98 AromaticContact CD2-CD2 3.99Å; F46-Y98 HydrophobicContact CD2-CD2 3.99Å; F46-Y98 HydrophobicContact CD2-CG 4.08Å; F46-Y98 AromaticContact CE2-CD2 3.48Å; F46-Y98 HydrophobicContact CE2-CD2 3.48Å; F46-Y98 VanDerWaalsContact CE2-CD2 3.48Å; F46-Y98 AromaticContact CE2-CE2 3.76Å; F46-Y98 HydrophobicContact CE2-CE2 3.76Å; F46-Y98 AromaticContact CE2-CG 3.97Å; F46-Y98 HydrophobicContact CE2-CG 3.97Å; F46-Y98 HydrophobicContact CZ-CD2 4.38Å; F46-Y98 HydrophobicContact CZ-CE2 4.46Å; N94-Y98 HydrophobicContact CB-CD2 4.32Å; N94-Y98 HydrophobicContact CB-CE2 4.45Å; N94-Y98 VanDerWaalsContact O-CD2 3.28Å; N94-Y98 WeakPolarHBondContact O-CD2 3.29Å; N94-Y98 PolarHBondContact O-N 2.93Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.44Å; Y98-S101 PolarHBondContact O-N 3.4Å; Y98-L102 WeakPolarHBondContact O-CB 3.44Å; Y98-L102 WeakPolarHBondContact O-CG 3.35Å; Y98-L102 PolarHBondContact O-N 2.95Å; Y98-I119 HydrophobicContact CD1-CB 4.13Å; Y98-I119 HydrophobicContact CD1-CD1 4.48Å; Y98-I119 HydrophobicContact CD1-CG2 3.98Å; Y98-I119 HydrophobicContact CE1-CB 4.31Å; Y98-I119 HydrophobicContact CE1-CG2 3.72Å; Y98-R121 WeakPolarHBondContact OH-CB 3.3Å; Y98-R121 WeakPolarHBondContact OH-CD 3.4Å
99R97.1Very high97.6Very high49 Ų4957.5 Ų57.519%0.18528%0.284CS..Hα-helixtrans-61.3-45.9170.8179.1-170.2-64.2160.82.2111.1E43 P44 T95 Q96 R103E43-R99 WeakPolarHBondContact OE2-CD 3.44Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 VanDerWaalsContact OE2-CZ 3.28Å; E43-R99 IonicContact OE2-NE 3.58Å; E43-R99 PolarHBondContact OE2-NE 3.29Å; E43-R99 IonicContact OE2-NH2 3.71Å; P44-R99 HydrophobicContact CG-CB 4.47Å; P44-R99 HydrophobicContact CG-CG 4.19Å; T95-R99 PolarHBondContact O-N 3.39Å; Q96-R99 WeakPolarHBondContact O-CB 3.32Å; Q96-R99 PolarHBondContact O-N 2.86Å; Q96-R99 VanDerWaalsContact O-N 3.14Å; R99-R103 PolarHBondContact O-N 2.95Å
100E97.3Very high97.6Very high117 Ų11759.3 Ų59.355%0.54730%0.297SS..Hα-helixtrans-65.9-42175.5-69.3178.8-175.900111.7Q96 T97 L102 R103 N104Q96-E100 PolarHBondContact O-N 3Å; T97-E100 PolarHBondContact O-N 3.5Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.46Å; E100-R103 WeakPolarHBondContact O-CB 3.47Å; E100-R103 PolarHBondContact O-N 3.25Å; E100-R103 VanDerWaalsContact O-N 3.12Å; E100-N104 PolarHBondContact O-N 2.89Å; E100-N104 PolarHBondContact O-ND2 3.45Å
101S97.6Very high97.6Very high39 Ų3958.8 Ų58.827%0.27329%0.293SS..Hα-helixtrans-59.4-42.7177.1-58.50000111.8T97 Y98 R103 N104 L105T97-S101 WeakPolarHBondContact O-CB 3.22Å; T97-S101 PolarHBondContact O-N 2.9Å; T97-S101 PolarHBondContact O-OG 3.45Å; Y98-S101 PolarHBondContact O-N 3.4Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.32Å; S101-N104 PolarHBondContact O-N 2.91Å; S101-L105 WeakPolarHBondContact O-CB 3.3Å; S101-L105 WeakPolarHBondContact O-CG 3.36Å; S101-L105 PolarHBondContact O-N 3.28Å
102L98.1Very high97.5Very high8 Ų862.5 Ų62.54%0.04232%0.32CS..Hα-helixtrans-59.8-40.5175-80.5164.2000112.2A35 P44 Y98 E100 R106 H117 I119 Y142A35-L102 HydrophobicContact CB-CD1 4.09Å; P44-L102 HydrophobicContact CB-CD1 3.54Å; P44-L102 HydrophobicContact CG-CD1 3.78Å; Y98-L102 WeakPolarHBondContact O-CB 3.44Å; Y98-L102 WeakPolarHBondContact O-CG 3.35Å; Y98-L102 PolarHBondContact O-N 2.95Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.46Å; L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.34Å; L102-R106 PolarHBondContact O-N 3.46Å; L102-R106 VanDerWaalsContact O-N 3.14Å; L102-H117 HydrophobicContact CD2-CB 4.1Å; L102-I119 HydrophobicContact CB-CD1 4.29Å; L102-I119 HydrophobicContact CD2-CD1 3.81Å; L102-I119 HydrophobicContact CD2-CG1 3.68Å; L102-I119 HydrophobicContact CG-CD1 3.65Å; L102-I119 HydrophobicContact CG-CG1 4.06Å; L102-Y142 HydrophobicContact CD2-CE2 4.35Å
103R96.8Very high97.2Very high131 Ų13165 Ų6549%0.49433%0.332SS..Hα-helixtrans-67.2-43.3176.4-67.8175.5-174.4165.80.6111.6R99 E100 S101 G107R99-R103 PolarHBondContact O-N 2.95Å; E100-R103 WeakPolarHBondContact O-CB 3.47Å; E100-R103 PolarHBondContact O-N 3.25Å; E100-R103 VanDerWaalsContact O-N 3.12Å; S101-R103 VanDerWaalsContact C-N 3.32Å; S101-R103 PolarHBondContact O-N 3.32Å; R103-G107 PolarHBondContact O-N 2.92Å; R103-G107 VanDerWaalsContact O-N 3.14Å
104N97.4Very high97Very high78 Ų7865.4 Ų65.442%0.41734%0.344SS..Hα-helixtrans-63.8-49179.4-70.5-22.7000111.7E100 S101 G107 Y108E100-N104 PolarHBondContact O-N 2.89Å; E100-N104 PolarHBondContact O-ND2 3.45Å; S101-N104 PolarHBondContact O-N 2.91Å; N104-G107 WeakPolarHBondContact O-CA 3.48Å; N104-G107 PolarHBondContact O-N 3.41Å; N104-G107 VanDerWaalsContact O-N 3.12Å; N104-Y108 HydrophobicContact CB-CE2 4.46Å; N104-Y108 WeakPolarHBondContact O-CD1 3.44Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 3.37Å
105L97.9Very high96.8Very high9 Ų965.3 Ų65.35%0.04735%0.349CS..Hα-helixtrans-62.3-45.9-179.8-69.4176.3000111.6S101 G107 Y108 Y109 I119 Y142 Y147S101-L105 WeakPolarHBondContact O-CB 3.3Å; S101-L105 WeakPolarHBondContact O-CG 3.36Å; S101-L105 PolarHBondContact O-N 3.28Å; L105-G107 PolarHBondContact O-N 3.48Å; L105-Y108 HydrophobicContact CD2-CD2 4.15Å; L105-Y108 PolarHBondContact O-N 2.9Å; L105-Y109 HydrophobicContact CD2-CE2 4.33Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.34Å; L105-Y109 PolarHBondContact O-N 3.41Å; L105-I119 HydrophobicContact CD1-CD1 3.36Å; L105-I119 HydrophobicContact CD1-CG1 3.52Å; L105-I119 HydrophobicContact CG-CD1 4.41Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD1 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.45Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.45Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.78Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; L105-Y147 HydrophobicContact CD2-CD1 4.48Å; L105-Y147 HydrophobicContact CD2-CD2 4.24Å; L105-Y147 HydrophobicContact CD2-CE1 3.79Å; L105-Y147 HydrophobicContact CD2-CE2 3.5Å; L105-Y147 VanDerWaalsContact CD2-OH 3.3Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.39Å
106R97.4Very high96.8Very high63 Ų6368.5 Ų68.524%0.23837%0.372CS..Hα-helixtrans-52.9-42.2173.7-174.8-171.265.9176.610.7111.6L102 N110 Q111 E113L102-R106 VanDerWaalsContact O-CB 3.3Å; L102-R106 WeakPolarHBondContact O-CB 3.34Å; L102-R106 PolarHBondContact O-N 3.46Å; L102-R106 VanDerWaalsContact O-N 3.14Å; R106-N110 PolarHBondContact O-N 2.8Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.43Å; R106-Q111 PolarHBondContact O-N 3.3Å; R106-E113 IonicContact CZ-OE1 2.7Å; R106-E113 IonicContact NH1-OE1 3.57Å; R106-E113 PolarHBondContact NH1-OE1 3.41Å; R106-E113 IonicContact NH2-OE1 2.97Å; R106-E113 PolarHBondContact NH2-OE1 3.39Å
107G97.4Very high96.8Very high43 Ų4365.1 Ų65.144%0.44336%0.356SS..Hα-helixtrans-65-47.117500000113.2R103 N104 L105 Y109 N110R103-G107 PolarHBondContact O-N 2.92Å; R103-G107 VanDerWaalsContact O-N 3.14Å; N104-G107 WeakPolarHBondContact O-CA 3.48Å; N104-G107 PolarHBondContact O-N 3.41Å; N104-G107 VanDerWaalsContact O-N 3.12Å; L105-G107 PolarHBondContact O-N 3.48Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 3.5Å; G107-N110 PolarHBondContact O-N 2.7Å; G107-N110 VanDerWaalsContact O-N 3.1Å; G107-N110 PolarHBondContact O-OD1 3.19Å
108Y97.9Very high96.9Very high56 Ų5665 Ų6522%0.2235%0.352CS..Hα-helixtrans-60.9-35179.3-61.5-17.2000112.9N104 L105 I166 K170N104-Y108 HydrophobicContact CB-CE2 4.46Å; N104-Y108 WeakPolarHBondContact O-CD1 3.44Å; N104-Y108 VanDerWaalsContact O-CG 3.31Å; N104-Y108 PolarHBondContact O-N 3.37Å; L105-Y108 HydrophobicContact CD2-CD2 4.15Å; L105-Y108 PolarHBondContact O-N 2.9Å; Y108-I166 HydrophobicContact CD1-CD1 4.1Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.03Å; Y108-I166 HydrophobicContact CE2-CB 4.32Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; Y108-K170 PolarHBondContact OH-NZ 2.76Å
109Y98Very high96.9Very high68 Ų6864.8 Ų64.827%0.26735%0.352SS..THydrogen-bonded Turntrans-91.53.9178.2-69.6-72000114L105 G107 Q111 Y142 Y147 D161 A163L105-Y109 HydrophobicContact CD2-CE2 4.33Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.34Å; L105-Y109 PolarHBondContact O-N 3.41Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 3.5Å; Y109-Q111 PolarHBondContact O-N 2.65Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.36Å; Y109-Y147 HydrophobicContact CE2-CD2 4.42Å; Y109-Y147 HydrophobicContact CE2-CE2 4.13Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.14Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.47Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.83Å; Y109-D161 PolarHBondContact OH-OD2 3.4Å; Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.38Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110N97.1Very high97Very high150 Ų15066.3 Ų66.380%0.80236%0.361SS*.THydrogen-bonded Turntrans51.439.5-177.2-58.4-57.5000113.5R106 G107R106-N110 PolarHBondContact O-N 2.8Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.7Å; G107-N110 VanDerWaalsContact O-N 3.1Å; G107-N110 PolarHBondContact O-OD1 3.19Å
111Q97.4Very high97.1Very high61 Ų6163.1 Ų63.129%0.28534%0.344SS..  trans-87.1152.7-176.7-70.9166.1-31.100112R106 Y109 H117 Y142 D143R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.43Å; R106-Q111 PolarHBondContact O-N 3.3Å; Y109-Q111 PolarHBondContact O-N 2.65Å; Q111-H117 PolarHBondContact NE2-CE1 3.03Å; Q111-H117 PolarHBondContact OE1-CE1 3.27Å; Q111-Y142 PolarHBondContact OE1-OH 3.19Å; Q111-D143 PolarHBondContact NE2-OD2 2.98Å
112S95.8Very high97.1Very high83 Ų8362.2 Ų62.258%0.5834%0.336SS*.  trans-67.4146.7179.3176.30000112.5A114 G115S112-A114 PolarHBondContact O-N 3.26Å; S112-A114 PolarHBondContact OG-N 3.02Å; S112-G115 PolarHBondContact O-N 2.84Å
113E93.2Very high97.1Very high133 Ų13362.9 Ų62.962%0.62134%0.338SS*.THydrogen-bonded Turntrans-67.1-20.5175-54.6-152.712700113.9P39 R106 G115P39-E113 WeakPolarHBondContact CB-O 3.38Å; P39-E113 WeakPolarHBondContact CG-O 3.06Å; R106-E113 IonicContact CZ-OE1 2.7Å; R106-E113 IonicContact NH1-OE1 3.57Å; R106-E113 PolarHBondContact NH1-OE1 3.41Å; R106-E113 IonicContact NH2-OE1 2.97Å; R106-E113 PolarHBondContact NH2-OE1 3.39Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.97Å
114A93.6Very high97.2Very high83 Ų8356.6 Ų56.669%0.68631%0.314SS*.THydrogen-bonded Turntrans-77.1-13.6177.600000112.9S112S112-A114 PolarHBondContact O-N 3.26Å; S112-A114 PolarHBondContact OG-N 3.02Å
115G93.6Very high97.3Very high25 Ų2552.9 Ų52.926%0.25829%0.294SS..  trans-74.6134.4-179.400000113.1P39 S112 E113 H117P39-G115 WeakPolarHBondContact CG-O 3.47Å; S112-G115 PolarHBondContact O-N 2.84Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 2.97Å; G115-H117 PolarHBondContact O-CD2 2.93Å
116S96.9Very high97.3Very high81 Ų8153.7 Ų53.757%0.56630%0.299SS*.  trans-82.6132.5165.9-173.50000108.9S37S37-S116 PolarHBondContact O-OG 3.02Å
117H98.1Very high97.3Very high15 Ų1550.9 Ų50.97%0.06929%0.288CS..  trans-134.6152.7-175.5-63.5-73.1000110.9M36 S37 L102 Q111 G115 Y142 D143M36-H117 WeakPolarHBondContact CA-O 3.3Å; S37-H117 PolarHBondContact N-O 2.8Å; S37-H117 PolarHBondContact OG-N 2.94Å; S37-H117 PolarHBondContact OG-O 2.93Å; L102-H117 HydrophobicContact CD2-CB 4.1Å; Q111-H117 PolarHBondContact NE2-CE1 3.03Å; Q111-H117 PolarHBondContact OE1-CE1 3.27Å; G115-H117 PolarHBondContact O-CD2 2.93Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.43Å; H117-Y142 AromaticContact ND1-CZ 3.93Å; H117-Y142 PolarHBondContact ND1-OH 2.86Å; H117-D143 WeakPolarHBondContact CA-OD1 3.18Å; H117-D143 WeakPolarHBondContact CB-OD1 3.23Å; H117-D143 IonicContact CE1-OD2 3.44Å; H117-D143 IonicContact CG-OD1 2.75Å; H117-D143 IonicContact CG-OD2 3.33Å; H117-D143 IonicContact ND1-OD1 3.5Å; H117-D143 IonicContact ND1-OD2 2.76Å; H117-D143 PolarHBondContact ND1-OD2 3.24Å
118I98.4Very high97.1Very high60 Ų6049.2 Ų49.231%0.30827%0.271SS..EExtended strand (participates in β ladder)trans-128.3131.2-176.1-51.1-176.2000109.5T34 A35 M36 Q120 Y142 D143T34-I118 HydrophobicContact CG2-CG2 3.92Å; A35-I118 CarbonylContact O-C 3.59Å; A35-I118 WeakPolarHBondContact O-CA 3.36Å; M36-I118 HydrophobicContact CG-CD1 4.23Å; M36-I118 HydrophobicContact CG-CG1 4Å; M36-I118 HydrophobicContact CG-CG2 4.04Å; I118-Q120 HydrophobicContact CG2-CG 3.97Å; I118-Y142 WeakPolarHBondContact O-CA 3.32Å; I118-Y142 WeakPolarHBondContact O-CD2 3.4Å; I118-D143 PolarHBondContact N-OD1 2.83Å; I118-D143 PolarHBondContact O-N 3.02Å
119I98.4Very high96.7Very high8 Ų851.2 Ų51.24%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-111.6134.3164.4-56.9169.9000108.1T34 A35 Y98 L102 L105 A141 Y142T34-I119 WeakPolarHBondContact CA-O 3.39Å; A35-I119 PolarHBondContact N-O 3.49Å; A35-I119 PolarHBondContact O-N 3.41Å; Y98-I119 HydrophobicContact CD1-CB 4.13Å; Y98-I119 HydrophobicContact CD1-CD1 4.48Å; Y98-I119 HydrophobicContact CD1-CG2 3.98Å; Y98-I119 HydrophobicContact CE1-CB 4.31Å; Y98-I119 HydrophobicContact CE1-CG2 3.72Å; L102-I119 HydrophobicContact CB-CD1 4.29Å; L102-I119 HydrophobicContact CD2-CD1 3.81Å; L102-I119 HydrophobicContact CD2-CG1 3.68Å; L102-I119 HydrophobicContact CG-CD1 3.65Å; L102-I119 HydrophobicContact CG-CG1 4.06Å; L105-I119 HydrophobicContact CD1-CD1 3.36Å; L105-I119 HydrophobicContact CD1-CG1 3.52Å; L105-I119 HydrophobicContact CG-CD1 4.41Å; I119-A141 WeakPolarHBondContact CA-O 3.45Å; I119-Y142 HydrophobicContact CG1-CD2 3.65Å; I119-Y142 HydrophobicContact CG1-CE2 4.03Å
120Q98.8Very high96.3Very high81 Ų8152.9 Ų52.938%0.37931%0.305SS..EExtended strand (participates in β ladder)trans-121.3147.1172.6-61.9172.4-86.900109.5Y33 T34 I118 S140 A141Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.31Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å; I118-Q120 HydrophobicContact CG2-CG 3.97Å; Q120-S140 CarbonylContact O-C 3.57Å; Q120-S140 WeakPolarHBondContact O-CA 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.47Å; Q120-A141 PolarHBondContact N-O 2.96Å; Q120-A141 PolarHBondContact O-N 3.2Å
121R98.6Very high95.9Very high51 Ų5146.7 Ų46.719%0.19228%0.276CS..EExtended strand (participates in β ladder)trans-136.6136.9170.6-176.1-179179-165.5-3.9109.7F32 Y33 Y98 Y123 D138 Q139F32-R121 WeakPolarHBondContact CA-O 3.34Å; Y33-R121 PolarHBondContact N-O 2.89Å; Y33-R121 PolarHBondContact O-N 3.45Å; Y98-R121 WeakPolarHBondContact OH-CB 3.3Å; Y98-R121 WeakPolarHBondContact OH-CD 3.4Å; R121-Y123 HydrophobicContact CG-CD1 4.41Å; R121-D138 IonicContact CZ-OD1 3.8Å; R121-D138 IonicContact CZ-OD2 3.51Å; R121-D138 IonicContact NE-OD1 3.65Å; R121-D138 PolarHBondContact NE-OD1 3.1Å; R121-D138 IonicContact NE-OD2 3.56Å; R121-D138 IonicContact NH2-OD1 2.97Å; R121-D138 PolarHBondContact NH2-OD1 2.72Å; R121-D138 IonicContact NH2-OD2 3.52Å; R121-D138 PolarHBondContact NH2-OD2 3.14Å; R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.27Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å
122M98.7Very high95.7Very high19 Ų1952 Ų529%0.09429%0.293CS..EExtended strand (participates in β ladder)trans-120.8126.7168.5-174.8-76.5-68.300107.9Y31 F32 H137 D138 Q139Y31-M122 WeakPolarHBondContact O-CA 3.45Å; F32-M122 HydrophobicContact CD1-CB 3.96Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.06Å; F32-M122 HydrophobicContact CE1-CG 3.31Å; F32-M122 HydrophobicContact CZ-CG 3.95Å; M122-H137 HydrophobicContact CE-CB 3.84Å; M122-H137 HydrophobicContact SD-CB 4.09Å; M122-D138 WeakPolarHBondContact O-CA 3.36Å; M122-Q139 HydrophobicContact CB-CG 4.2Å; M122-Q139 HydrophobicContact CE-CG 3.96Å; M122-Q139 VanDerWaalsContact CE-NE2 3.26Å; M122-Q139 PolarHBondContact N-O 3.18Å; M122-Q139 PolarHBondContact O-N 3.07Å
123Y98.7Very high95.8Very high22 Ų2250.5 Ų50.59%0.08628%0.279CS..EExtended strand (participates in β ladder)trans-142.4156.3171.973.1-83000110.4Y31 Y33 R121 H137 Y183Y31-Y123 VanDerWaalsContact CB-CE1 3.42Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.45Å; Y31-Y123 WeakPolarHBondContact CB-OH 3.43Å; Y31-Y123 AromaticContact CD2-CE2 3.78Å; Y31-Y123 HydrophobicContact CD2-CE2 3.78Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 WeakPolarHBondContact CD2-OH 3.32Å; Y31-Y123 HydrophobicContact CG-CE1 4.21Å; Y31-Y123 HydrophobicContact CG-CE2 4.27Å; Y31-Y123 AromaticContact CG-CZ 3.72Å; Y31-Y123 PolarHBondContact N-O 2.94Å; Y31-Y123 PolarHBondContact O-N 3.36Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD1-CE1 4.4Å; Y33-Y123 HydrophobicContact CD2-CE1 4.4Å; Y33-Y123 AromaticContact CE1-CE1 3.74Å; Y33-Y123 HydrophobicContact CE1-CE1 3.74Å; Y33-Y123 AromaticContact CE2-CE1 3.79Å; Y33-Y123 HydrophobicContact CE2-CE1 3.79Å; Y33-Y123 AromaticContact CZ-CE1 3.42Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.42Å; Y33-Y123 AromaticContact CZ-CZ 3.88Å; Y33-Y123 PolarHBondContact OH-OH 3.37Å; R121-Y123 HydrophobicContact CG-CD1 4.41Å; Y123-H137 CarbonylContact C-O 3.54Å; Y123-H137 WeakPolarHBondContact CA-O 3.49Å; Y123-H137 VanDerWaalsContact CB-O 3.29Å; Y123-H137 WeakPolarHBondContact CB-O 2.99Å; Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.69Å; Y123-Y183 HydrophobicContact CE2-CE1 3.69Å; Y123-Y183 AromaticContact CE2-CZ 3.94Å
124G98.6Very high95.9Very high0 Ų050.2 Ų50.20%028%0.281CS..EExtended strand (participates in β ladder)trans160.4-176.6-176.400000113.9M29 H137 L184M29-G124 CarbonylContact O-C 3.56Å; M29-G124 WeakPolarHBondContact O-CA 3.26Å; G124-H137 PolarHBondContact N-O 3.46Å; G124-H137 PolarHBondContact O-N 2.87Å; G124-L184 VanDerWaalsContact O-CD2 3.22Å; G124-L184 WeakPolarHBondContact O-CD2 3.44Å
125C98.6Very high96.1Very high0 Ų051.2 Ų51.20%027%0.267CS..EExtended strand (participates in β ladder)trans-132.8147.4-176.652.50000110.9S28 M29 L133 R135 C188S28-C125 WeakPolarHBondContact CA-O 3.5Å; M29-C125 PolarHBondContact N-O 3.35Å; M29-C125 PolarHBondContact O-N 2.9Å; C125-L133 HydrophobicContact CB-CD1 3.58Å; C125-R135 CarbonylContact C-O 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.25Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 2.61Å; C125-C188 WeakPolarHBondContact SG-CB 3.46Å; C125-C188 PolarHBondContact SG-O 2.94Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.48Å
126D98.2Very high96.3Very high26 Ų2650.3 Ų50.314%0.13926%0.257CS..EExtended strand (participates in β ladder)trans-111.7135.1173.3-53.3-24.2000108.6H27 S28 R30 L134 R135 H137H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; S28-D126 WeakPolarHBondContact CB-OD1 3.44Å; R30-D126 IonicContact CZ-OD1 2.71Å; R30-D126 IonicContact NE-OD1 3.35Å; R30-D126 PolarHBondContact NE-OD1 3.47Å; R30-D126 VanDerWaalsContact NE-OD1 3.08Å; R30-D126 VanDerWaalsContact NH2-CG 3.32Å; R30-D126 IonicContact NH2-OD1 3.65Å; R30-D126 PolarHBondContact NH2-OD1 3.06Å; R30-D126 IonicContact NH2-OD2 3.51Å; R30-D126 PolarHBondContact NH2-OD2 3.22Å; D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 2.77Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 3.06Å; D126-R135 PolarHBondContact O-N 2.92Å; D126-H137 IonicContact OD1-CD2 3.75Å; D126-H137 IonicContact OD1-NE2 3.51Å; D126-H137 IonicContact OD2-CD2 3.51Å; D126-H137 IonicContact OD2-CE1 2.66Å; D126-H137 IonicContact OD2-NE2 3.42Å; D126-H137 PolarHBondContact OD2-NE2 2.88Å
127L97.1Very high96.3Very high3 Ų347.5 Ų47.52%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-107.4138.9174.5-55.3-177.1000110.1S26 H27 R132 V189 L192 R193S26-L127 VanDerWaalsContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CA-O 3.5Å; S26-L127 WeakPolarHBondContact CB-O 3.45Å; H27-L127 PolarHBondContact N-O 3.22Å; H27-L127 VanDerWaalsContact N-O 3.09Å; H27-L127 PolarHBondContact O-N 3.36Å; L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.3Å; L127-V189 HydrophobicContact CD2-CB 4.2Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.85Å; L127-L192 HydrophobicContact CD1-CB 4.27Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.24Å; L127-R193 HydrophobicContact CD1-CG 3.97Å
128G93.7Very high96.4Very high8 Ų846.9 Ų46.98%0.08223%0.232CC..  trans-73.7175.6166.200000112.2D130 G131 R132G128-D130 PolarHBondContact O-N 3.46Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 3.26Å; G128-R132 PolarHBondContact N-O 3.37Å
129P89.5Confident96.4Very high99 Ų9947.9 Ų47.964%0.64324%0.236SC*.THydrogen-bonded Turntrans-59.4-23.7177.2-24.734.9000115G25 G131G25-P129 VanDerWaalsContact O-CA 3.27Å; G25-P129 WeakPolarHBondContact O-CA 3.49Å; P129-G131 PolarHBondContact O-N 2.63Å
130D88.9Confident96.4Very high103 Ų10348.3 Ų48.355%0.55124%0.239SC*.THydrogen-bonded Turntrans-812.6173.970.1-12.6000113.1G128 R132G128-D130 PolarHBondContact O-N 3.46Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 2.82Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 PolarHBondContact OD1-N 3.17Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.42Å; D130-R132 IonicContact OD2-CZ 3.71Å; D130-R132 IonicContact OD2-NE 2.7Å; D130-R132 IonicContact OD2-NH1 3.48Å
131G88.8Confident96.4Very high19 Ų1945.2 Ų45.220%0.19623%0.228CC..SBendtrans729.5-178.300000114G128 P129 R193G128-G131 WeakPolarHBondContact O-CA 3.43Å; G128-G131 PolarHBondContact O-N 3.26Å; P129-G131 PolarHBondContact O-N 2.63Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 3.28Å; G131-R193 PolarHBondContact O-NH2 3.2Å
132R93.8Very high96.4Very high172 Ų17243.3 Ų43.365%0.64922%0.221SC*.SBendtrans-87.5154.7177.6-62.5-173.7-177.6161-3.5111.3L127 G128 D130 L134L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.3Å; G128-R132 PolarHBondContact N-O 3.37Å; D130-R132 PolarHBondContact O-N 2.82Å; D130-R132 WeakPolarHBondContact OD1-CB 3.42Å; D130-R132 PolarHBondContact OD1-N 3.17Å; D130-R132 WeakPolarHBondContact OD2-CD 3.39Å; D130-R132 WeakPolarHBondContact OD2-CG 3.42Å; D130-R132 IonicContact OD2-CZ 3.71Å; D130-R132 IonicContact OD2-NE 2.7Å; D130-R132 IonicContact OD2-NH1 3.48Å; R132-L134 PolarHBondContact O-N 2.84Å; R132-L134 VanDerWaalsContact O-N 3.14Å
133L96.9Very high96.4Very high52 Ų5245.4 Ų45.427%0.27223%0.232SC..EExtended strand (participates in β ladder)trans-58.7119.3174.9-177.172.9000109.6C125 R135 L154 E185 V189C125-L133 HydrophobicContact CB-CD1 3.58Å; L133-R135 WeakPolarHBondContact CD1-O 3.22Å; L133-L154 HydrophobicContact CD2-CD1 4.32Å; L133-E185 HydrophobicContact CD2-CB 4.36Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 3.99Å
134L96.4Very high96.3Very high127 Ų12747.1 Ų47.167%0.66526%0.257SS*.EExtended strand (participates in β ladder)trans-90.6-45.4171-177.166.4000110.3D126 R132D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 2.77Å; R132-L134 PolarHBondContact O-N 2.84Å; R132-L134 VanDerWaalsContact O-N 3.14Å
135R96.8Very high96.3Very high105 Ų10554.9 Ų54.940%0.39629%0.291SS..EExtended strand (participates in β ladder)trans-154.9138.9-176.6-172.1172175138.39.1111.9C125 D126 L133 H137 E152C125-R135 CarbonylContact C-O 3.53Å; C125-R135 WeakPolarHBondContact CA-O 3.25Å; D126-R135 HydrophobicContact CB-CB 4.4Å; D126-R135 PolarHBondContact N-O 3.06Å; D126-R135 PolarHBondContact O-N 2.92Å; L133-R135 WeakPolarHBondContact CD1-O 3.22Å; R135-H137 WeakPolarHBondContact CD-CE1 3.39Å; R135-H137 PolarHBondContact NE-CE1 3.31Å; R135-E152 IonicContact CZ-OE1 3.82Å; R135-E152 IonicContact NH1-OE1 2.66Å; R135-E152 PolarHBondContact NH1-OE1 3Å; R135-E152 IonicContact NH2-OE1 3.46Å; R135-E152 PolarHBondContact NH2-OE1 2.82Å
136G98.1Very high96.3Very high6 Ų661 Ų616%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-104.8148.9167.700000110.9
137H98.2Very high96.3Very high21 Ų2160.3 Ų60.310%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-132.6138.7-178.8-55.7-94.5000110.5R30 M122 Y123 G124 D126 R135R30-H137 PolarHBondContact NH2-NE2 2.85Å; R30-H137 VanDerWaalsContact NH2-NE2 3.14Å; M122-H137 HydrophobicContact CE-CB 3.84Å; M122-H137 HydrophobicContact SD-CB 4.09Å; Y123-H137 CarbonylContact C-O 3.54Å; Y123-H137 WeakPolarHBondContact CA-O 3.49Å; Y123-H137 VanDerWaalsContact CB-O 3.29Å; Y123-H137 WeakPolarHBondContact CB-O 2.99Å; G124-H137 PolarHBondContact N-O 3.46Å; G124-H137 PolarHBondContact O-N 2.87Å; D126-H137 IonicContact OD1-CD2 3.75Å; D126-H137 IonicContact OD1-NE2 3.51Å; D126-H137 IonicContact OD2-CD2 3.51Å; D126-H137 IonicContact OD2-CE1 2.66Å; D126-H137 IonicContact OD2-NE2 3.42Å; D126-H137 PolarHBondContact OD2-NE2 2.88Å; R135-H137 WeakPolarHBondContact CD-CE1 3.39Å; R135-H137 PolarHBondContact NE-CE1 3.31Å
138D98.6Very high96.4Very high2 Ų260.4 Ų60.41%0.01132%0.32CS..EExtended strand (participates in β ladder)trans-154112.9160.9-172.12.6000109.2R121 M122 L150 L180R121-D138 IonicContact CZ-OD1 3.8Å; R121-D138 IonicContact CZ-OD2 3.51Å; R121-D138 IonicContact NE-OD1 3.65Å; R121-D138 PolarHBondContact NE-OD1 3.1Å; R121-D138 IonicContact NE-OD2 3.56Å; R121-D138 IonicContact NH2-OD1 2.97Å; R121-D138 PolarHBondContact NH2-OD1 2.72Å; R121-D138 IonicContact NH2-OD2 3.52Å; R121-D138 PolarHBondContact NH2-OD2 3.14Å; M122-D138 WeakPolarHBondContact O-CA 3.36Å; D138-L150 HydrophobicContact CB-CB 4.03Å; D138-L150 HydrophobicContact CB-CD2 4.25Å; D138-L150 WeakPolarHBondContact O-CB 3.16Å; D138-L150 PolarHBondContact O-N 2.91Å; D138-L180 HydrophobicContact CB-CD1 4.42Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.49Å; D138-L180 VanDerWaalsContact OD2-CD2 3.27Å; D138-L180 WeakPolarHBondContact OD2-CD2 3.38Å
139Q98.6Very high96.6Very high82 Ų8261.3 Ų61.338%0.38333%0.326SS..EExtended strand (participates in β ladder)trans-142.8143.7-177.764.5-167.221.600111.1R121 M122 I148 A149R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 VanDerWaalsContact CA-O 3.27Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å; M122-Q139 HydrophobicContact CB-CG 4.2Å; M122-Q139 HydrophobicContact CE-CG 3.96Å; M122-Q139 VanDerWaalsContact CE-NE2 3.26Å; M122-Q139 PolarHBondContact N-O 3.18Å; M122-Q139 PolarHBondContact O-N 3.07Å; Q139-I148 WeakPolarHBondContact CA-O 3.34Å; Q139-A149 HydrophobicContact CB-CB 3.89Å
140S98.6Very high97.1Very high16 Ų1657.4 Ų57.411%0.11230%0.3CS..EExtended strand (participates in β ladder)trans-124.8145.4179.2-56.70000111.2Q120 Y147 I148Q120-S140 CarbonylContact O-C 3.57Å; Q120-S140 WeakPolarHBondContact O-CA 3.38Å; S140-Y147 WeakPolarHBondContact O-CB 3.26Å; S140-Y147 PolarHBondContact O-N 3.17Å; S140-I148 PolarHBondContact N-O 3.39Å; S140-I148 PolarHBondContact O-N 3.23Å
141A98.8Very high97.6Very high17 Ų1754.6 Ų54.614%0.1429%0.285CS..EExtended strand (participates in β ladder)trans-124.9147.9175.500000110.2I119 Q120 K145I119-A141 WeakPolarHBondContact CA-O 3.45Å; Q120-A141 HydrophobicContact CB-CB 4.47Å; Q120-A141 PolarHBondContact N-O 2.96Å; Q120-A141 PolarHBondContact O-N 3.2Å; A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.24Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å
142Y98.7Very high98Very high11 Ų1160.1 Ų60.14%0.04331%0.305CS..EExtended strand (participates in β ladder)trans-125.4128175.7-174.6-123.9000110.2L102 L105 Y109 Q111 H117 I118 I119 G144 K145L102-Y142 HydrophobicContact CD2-CE2 4.35Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.24Å; L105-Y142 HydrophobicContact CB-CE1 3.99Å; L105-Y142 HydrophobicContact CB-CE2 3.88Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD1 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.45Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.45Å; L105-Y142 HydrophobicContact CD1-CE2 3.83Å; L105-Y142 HydrophobicContact CD1-CG 3.78Å; L105-Y142 HydrophobicContact CG-CD2 4.46Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.44Å; Y109-Y142 HydrophobicContact CE2-CD1 3.44Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.44Å; Y109-Y142 AromaticContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CE1 3.75Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.36Å; Q111-Y142 PolarHBondContact OE1-OH 3.19Å; H117-Y142 HydrophobicContact CB-CE2 3.83Å; H117-Y142 WeakPolarHBondContact CB-OH 3.43Å; H117-Y142 AromaticContact ND1-CZ 3.93Å; H117-Y142 PolarHBondContact ND1-OH 2.86Å; I118-Y142 WeakPolarHBondContact O-CA 3.32Å; I118-Y142 WeakPolarHBondContact O-CD2 3.4Å; I119-Y142 HydrophobicContact CG1-CD2 3.65Å; I119-Y142 HydrophobicContact CG1-CE2 4.03Å; Y142-G144 PolarHBondContact O-N 3.18Å; Y142-G144 VanDerWaalsContact O-N 3.16Å; Y142-K145 PolarHBondContact N-O 3.37Å; Y142-K145 PolarHBondContact O-N 3.33Å
143D98.2Very high98.1Very high62 Ų6255.7 Ų55.733%0.33230%0.295SS..THydrogen-bonded Turntrans49.139.2-175.6-65.9-20.4000113.2Q111 H117 I118 K145Q111-D143 PolarHBondContact NE2-OD2 2.98Å; H117-D143 WeakPolarHBondContact CA-OD1 3.18Å; H117-D143 WeakPolarHBondContact CB-OD1 3.23Å; H117-D143 IonicContact CE1-OD2 3.44Å; H117-D143 IonicContact CG-OD1 2.75Å; H117-D143 IonicContact CG-OD2 3.33Å; H117-D143 IonicContact ND1-OD1 3.5Å; H117-D143 IonicContact ND1-OD2 2.76Å; H117-D143 PolarHBondContact ND1-OD2 3.24Å; I118-D143 PolarHBondContact N-OD1 2.83Å; I118-D143 PolarHBondContact O-N 3.02Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 2.86Å
144G97.2Very high98.2Very high59 Ų5953.7 Ų53.761%0.60828%0.284SS*.THydrogen-bonded Turntrans78.77.2178.100000115.4Y142Y142-G144 PolarHBondContact O-N 3.18Å; Y142-G144 VanDerWaalsContact O-N 3.16Å
145K98.5Very high98.3Very high162 Ų16251 Ų5170%0.70428%0.276SS*.EExtended strand (participates in β ladder)trans-113.7144.2176.5-61.7-179.8-177.2178.10110.7A141 Y142 D143 Y147A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.24Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.44Å; Y142-K145 PolarHBondContact N-O 3.37Å; Y142-K145 PolarHBondContact O-N 3.33Å; D143-K145 VanDerWaalsContact C-N 3.33Å; D143-K145 PolarHBondContact O-N 2.86Å; K145-Y147 PolarHBondContact O-N 2.93Å
146D98.7Very high98.3Very high129 Ų12947.9 Ų47.969%0.6927%0.27SS*.EExtended strand (participates in β ladder)trans-53.8135.3174.2-66.7-35.7000110.6A160D146-A160 WeakPolarHBondContact O-CB 3.39Å
147Y98.8Very high98.4Very high12 Ų1248.2 Ų48.25%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-115-61.7-178.5178.6-109.1000110.6L105 Y109 S140 K145 A160 A163 A164 T167L105-Y147 HydrophobicContact CD2-CD1 4.48Å; L105-Y147 HydrophobicContact CD2-CD2 4.24Å; L105-Y147 HydrophobicContact CD2-CE1 3.79Å; L105-Y147 HydrophobicContact CD2-CE2 3.5Å; L105-Y147 VanDerWaalsContact CD2-OH 3.3Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.42Å; Y109-Y147 HydrophobicContact CE2-CE2 4.13Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.14Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; S140-Y147 WeakPolarHBondContact O-CB 3.26Å; S140-Y147 PolarHBondContact O-N 3.17Å; K145-Y147 PolarHBondContact O-N 2.93Å; Y147-A160 WeakPolarHBondContact O-CB 3.24Å; Y147-A160 PolarHBondContact O-N 2.81Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 2.99Å; Y147-A163 VanDerWaalsContact OH-O 3.04Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 VanDerWaalsContact CZ-CA 3.5Å; Y147-A164 WeakPolarHBondContact O-CB 3.4Å; Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.41Å; Y147-T167 PolarHBondContact OH-OG1 3.09Å
148I98.8Very high98.4Very high5 Ų551 Ų513%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-149.8139.7179.2-162.1172000110.4Q139 S140 W157 T158 T167 Q168 W171Q139-I148 WeakPolarHBondContact CA-O 3.34Å; S140-I148 PolarHBondContact N-O 3.39Å; S140-I148 PolarHBondContact O-N 3.23Å; I148-W157 HydrophobicContact CD1-CB 4.37Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CG1-CB 4.44Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; I148-T158 WeakPolarHBondContact CA-O 3.27Å; I148-T167 HydrophobicContact CD1-CG2 4.16Å; I148-Q168 HydrophobicContact CD1-CB 3.95Å; I148-W171 HydrophobicContact CD1-CE3 4.09Å; I148-W171 HydrophobicContact CD1-CZ3 4.36Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.85Å
149A98.8Very high98.4Very high27 Ų2752 Ų5222%0.22330%0.297CS..EExtended strand (participates in β ladder)trans-133.6139.5178.600000111.5Q139 W157 T158Q139-A149 HydrophobicContact CB-CB 3.89Å; A149-W157 WeakPolarHBondContact O-CA 3.39Å; A149-T158 PolarHBondContact N-O 3.24Å; A149-T158 PolarHBondContact O-N 3.14Å
150L98.8Very high98.4Very high16 Ų1651 Ų518%0.08430%0.302CS..EExtended strand (participates in β ladder)trans-72.5128.5168.5-175.767.6000108.4D138 L154 W157 A177 L180 L184D138-L150 HydrophobicContact CB-CB 4.03Å; D138-L150 HydrophobicContact CB-CD2 4.25Å; D138-L150 WeakPolarHBondContact O-CB 3.16Å; D138-L150 PolarHBondContact O-N 2.91Å; L150-L154 HydrophobicContact CD2-CB 4.49Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; L150-W157 HydrophobicContact CB-CE3 4.08Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.95Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L180 HydrophobicContact CD2-CD1 4.45Å; L150-L184 HydrophobicContact CD2-CD1 3.96Å
151N98.6Very high98.4Very high44 Ų4452.9 Ų52.924%0.23531%0.311CS..  trans-72.4163.2179.5-67.8-28.6000111.3D153 L154 S156 T158N151-D153 PolarHBondContact O-N 2.6Å; N151-L154 PolarHBondContact O-N 2.94Å; N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.25Å; N151-S156 PolarHBondContact N-O 2.8Å; N151-S156 PolarHBondContact ND2-OG 2.95Å; N151-T158 PolarHBondContact ND2-OG1 3.48Å; N151-T158 WeakPolarHBondContact OD1-CB 3.36Å; N151-T158 PolarHBondContact OD1-OG1 3.49Å
152E97.4Very high98.3Very high136 Ų13657.3 Ų57.364%0.63634%0.337SS*.THydrogen-bonded Turntrans-59.7-21.4-178.7-66.1-178.9-174.900113.6R135 L154R135-E152 IonicContact CZ-OE1 3.82Å; R135-E152 IonicContact NH1-OE1 2.66Å; R135-E152 PolarHBondContact NH1-OE1 3Å; R135-E152 IonicContact NH2-OE1 3.46Å; R135-E152 PolarHBondContact NH2-OE1 2.82Å; E152-L154 PolarHBondContact O-N 3.01Å
153D97.6Very high98.3Very high79 Ų7957 Ų5742%0.42234%0.337SS..THydrogen-bonded Turntrans-72-7.3174.368.522.1000114.2N151 S155 S156N151-D153 PolarHBondContact O-N 2.6Å; D153-S155 PolarHBondContact O-N 3.37Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.43Å; D153-S155 PolarHBondContact OD1-N 3.16Å; D153-S155 PolarHBondContact OD1-OG 3.02Å; D153-S155 PolarHBondContact OD2-OG 3.47Å; D153-S156 VanDerWaalsContact CG-OG 3.28Å; D153-S156 PolarHBondContact OD1-N 2.83Å; D153-S156 PolarHBondContact OD1-OG 3.45Å; D153-S156 WeakPolarHBondContact OD2-CB 3.23Å; D153-S156 PolarHBondContact OD2-OG 3.1Å
154L98.1Very high98.3Very high10 Ų1054.1 Ų54.15%0.05232%0.321CS..SBendtrans53.728.7-177-52.5-178.3000114L133 L150 N151 E152 R181 L184 E185L133-L154 HydrophobicContact CD2-CD1 4.32Å; L150-L154 HydrophobicContact CD2-CB 4.49Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; N151-L154 PolarHBondContact O-N 2.94Å; E152-L154 PolarHBondContact O-N 3.01Å; L154-R181 HydrophobicContact CB-CB 4.12Å; L154-R181 HydrophobicContact CB-CG 3.98Å; L154-R181 HydrophobicContact CD1-CG 4.34Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L154-E185 HydrophobicContact CD1-CG 4.08Å
155S97.8Very high98.4Very high71 Ų7154.9 Ų54.950%0.49731%0.309SS..SBendtrans-139.1-25.7-174.969.80000113.6D153D153-S155 PolarHBondContact O-N 3.37Å; D153-S155 VanDerWaalsContact O-N 3.16Å; D153-S155 WeakPolarHBondContact OD1-CA 3.43Å; D153-S155 PolarHBondContact OD1-N 3.16Å; D153-S155 PolarHBondContact OD1-OG 3.02Å; D153-S155 PolarHBondContact OD2-OG 3.47Å
156S98.1Very high98.4Very high39 Ų3949.9 Ų49.927%0.27329%0.289SS..  trans-120.2164-178700000112.4N151 D153N151-S156 WeakPolarHBondContact CB-O 3.35Å; N151-S156 WeakPolarHBondContact CB-OG 3.25Å; N151-S156 PolarHBondContact N-O 2.8Å; N151-S156 PolarHBondContact ND2-OG 2.95Å; D153-S156 VanDerWaalsContact CG-OG 3.28Å; D153-S156 PolarHBondContact OD1-N 2.83Å; D153-S156 PolarHBondContact OD1-OG 3.45Å; D153-S156 WeakPolarHBondContact OD2-CB 3.23Å; D153-S156 PolarHBondContact OD2-OG 3.1Å
157W98.7Very high98.4Very high13 Ų1344.5 Ų44.55%0.04926%0.261CS..EExtended strand (participates in β ladder)trans-121.4144.5-174.4-61.394.8000111.6I148 A149 L150 Q168 W171 V176 A177 L180I148-W157 HydrophobicContact CD1-CB 4.37Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CG1-CB 4.44Å; I148-W157 HydrophobicContact CG1-CE3 4.03Å; A149-W157 WeakPolarHBondContact O-CA 3.39Å; L150-W157 HydrophobicContact CB-CE3 4.08Å; L150-W157 HydrophobicContact CB-CH2 4.14Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.95Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 3.08Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.96Å; W157-W171 HydrophobicContact CE3-CZ3 3.96Å; W157-W171 HydrophobicContact CH2-CD2 4.42Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CH2 4.47Å; W157-W171 AromaticContact CH2-CZ3 3.28Å; W157-W171 HydrophobicContact CH2-CZ3 3.28Å; W157-W171 HydrophobicContact CZ2-CD2 4.36Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CZ3 4Å; W157-W171 AromaticContact CZ3-CE3 3.49Å; W157-W171 HydrophobicContact CZ3-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.49Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; W157-V176 HydrophobicContact CH2-CG1 4.47Å; W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W157-A177 HydrophobicContact CZ2-CB 4.2Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.82Å; W157-L180 HydrophobicContact CZ3-CD1 4.5Å
158T98.7Very high98.4Very high79 Ų7945.9 Ų45.949%0.48527%0.268SS..EExtended strand (participates in β ladder)trans-107.1117.5165-66.40000109.1I148 A149 N151I148-T158 WeakPolarHBondContact CA-O 3.27Å; A149-T158 PolarHBondContact N-O 3.24Å; A149-T158 PolarHBondContact O-N 3.14Å; N151-T158 PolarHBondContact ND2-OG1 3.48Å; N151-T158 WeakPolarHBondContact OD1-CB 3.36Å; N151-T158 PolarHBondContact OD1-OG1 3.49Å
159A98.7Very high98.4Very high23 Ų2353 Ų5319%0.1930%0.295CS..EExtended strand (participates in β ladder)trans-99.2131176.300000110.4A164 Q165 Q168A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 4Å; A159-Q168 HydrophobicContact CB-CB 4.43Å
160A98.5Very high98.3Very high61 Ų6157.1 Ų57.150%0.50431%0.307SS..SBendtrans-74.2-31.4-175.400000113.5D146 Y147D146-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 WeakPolarHBondContact O-CB 3.24Å; Y147-A160 PolarHBondContact O-N 2.81Å
161D98.3Very high98.3Very high55 Ų5559.5 Ų59.529%0.29432%0.315SS..SBendtrans-151.3-175.8-177.966.930000113.1Y109 A163 A164 Q165Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.47Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 2.83Å; Y109-D161 PolarHBondContact OH-OD2 3.4Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.08Å; D161-A163 WeakPolarHBondContact OD1-CA 3.44Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.95Å; D161-A164 WeakPolarHBondContact O-CB 3.22Å; D161-A164 PolarHBondContact O-N 3.35Å; D161-A164 PolarHBondContact OD1-N 3.39Å; D161-Q165 WeakPolarHBondContact O-CG 3.22Å; D161-Q165 PolarHBondContact O-N 2.85Å
162T98.2Very high98.3Very high111 Ų11162 Ų6268%0.68133%0.325SS*.Hα-helixtrans-65.3-28.6-179.352.90000113.7
163A98.1Very high98.4Very high5 Ų559.7 Ų59.74%0.04133%0.33CS..Hα-helixtrans-74.3-37.6175.300000110.7Y109 Y147 D161 Q165 I166Y109-A163 HydrophobicContact CD1-CB 4.15Å; Y109-A163 HydrophobicContact CD2-CB 4.38Å; Y109-A163 HydrophobicContact CE1-CB 3.62Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 2.99Å; Y147-A163 VanDerWaalsContact OH-O 3.04Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.08Å; D161-A163 WeakPolarHBondContact OD1-CA 3.44Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.95Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.16Å
164A98.5Very high98.4Very high0 Ų058.7 Ų58.70%033%0.333CS..Hα-helixtrans-63.9-35.8172.300000112.9Y147 A159 D161 I166 T167 Q168Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.45Å; Y147-A164 HydrophobicContact CE2-CB 3.65Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 VanDerWaalsContact CZ-CA 3.5Å; Y147-A164 WeakPolarHBondContact O-CB 3.4Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 WeakPolarHBondContact O-CB 3.22Å; D161-A164 PolarHBondContact O-N 3.35Å; D161-A164 PolarHBondContact OD1-N 3.39Å; A164-I166 PolarHBondContact O-N 2.92Å; A164-T167 WeakPolarHBondContact O-CB 3.24Å; A164-T167 PolarHBondContact O-N 3.14Å; A164-Q168 PolarHBondContact O-N 2.81Å
165Q98.7Very high98.4Very high75 Ų7565.7 Ų65.735%0.3536%0.359SS..Hα-helixtrans-59.9-28.5174.2-72.2174.18.200113.1A159 D161 A163 R169A159-Q165 HydrophobicContact CB-CG 4Å; D161-Q165 WeakPolarHBondContact O-CG 3.22Å; D161-Q165 PolarHBondContact O-N 2.85Å; A163-Q165 VanDerWaalsContact C-N 3.33Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3.15Å; Q165-R169 VanDerWaalsContact O-N 3.08Å
166I98.4Very high98.4Very high58 Ų5863.7 Ų63.730%0.29734%0.343SS..Hα-helixtrans-65.1-45.1174.1-58.8171.2000109.9Y108 A163 A164 K170Y108-I166 HydrophobicContact CD1-CD1 4.1Å; Y108-I166 HydrophobicContact CE1-CD1 4.44Å; Y108-I166 HydrophobicContact CE1-CG2 4.03Å; Y108-I166 HydrophobicContact CE2-CB 4.32Å; Y108-I166 HydrophobicContact CE2-CG2 4.11Å; Y108-I166 HydrophobicContact CG-CD1 4.16Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.16Å; A164-I166 PolarHBondContact O-N 2.92Å; I166-K170 WeakPolarHBondContact O-CG 3.36Å; I166-K170 PolarHBondContact O-N 3.4Å
167T98.3Very high98.4Very high16 Ų1662.3 Ų62.310%0.09833%0.334CS..Hα-helixtrans-66.7-43.7176.9-66.10000111.2Y147 I148 A164 R169 K170 W171Y147-T167 HydrophobicContact CE1-CG2 4.2Å; Y147-T167 WeakPolarHBondContact OH-CB 3.41Å; Y147-T167 PolarHBondContact OH-OG1 3.09Å; I148-T167 HydrophobicContact CD1-CG2 4.16Å; A164-T167 WeakPolarHBondContact O-CB 3.24Å; A164-T167 PolarHBondContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 2.93Å; T167-K170 WeakPolarHBondContact O-CB 3.31Å; T167-K170 PolarHBondContact O-N 2.8Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.82Å; T167-W171 HydrophobicContact CG2-CE3 4.36Å; T167-W171 HydrophobicContact CG2-CG 4.13Å; T167-W171 HydrophobicContact CG2-CZ2 4Å; T167-W171 WeakPolarHBondContact O-CB 3.43Å; T167-W171 PolarHBondContact O-N 2.96Å
168Q98.6Very high98.4Very high41 Ų4167 Ų6719%0.19236%0.356CS..Hα-helixtrans-51.6-53.5174.9176.8175.711.500111.7I148 W157 A159 A164 K170 W171 E172I148-Q168 HydrophobicContact CD1-CB 3.95Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 3.08Å; A159-Q168 HydrophobicContact CB-CB 4.43Å; A164-Q168 PolarHBondContact O-N 2.81Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.83Å; Q168-W171 PolarHBondContact O-N 2.74Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.45Å; Q168-E172 PolarHBondContact NE2-OE1 2.75Å; Q168-E172 WeakPolarHBondContact O-CB 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.08Å
169R98.7Very high98.4Very high155 Ų15569.8 Ų69.859%0.58536%0.364SS*.Hα-helixtrans-59.2-39.3179.7-69170.7-165.5154.18.2112.5Q165 T167 A173Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3.15Å; Q165-R169 VanDerWaalsContact O-N 3.08Å; T167-R169 PolarHBondContact O-N 2.93Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.29Å; R169-A173 PolarHBondContact O-N 2.74Å
170K98.2Very high98.3Very high112 Ų11269.7 Ų69.749%0.48736%0.36SS..Hα-helixtrans-65.5-43.1176.3-72.7178.4175.6-174.20111.4Y108 I166 T167 Q168 A174Y108-K170 PolarHBondContact OH-NZ 2.76Å; I166-K170 WeakPolarHBondContact O-CG 3.36Å; I166-K170 PolarHBondContact O-N 3.4Å; T167-K170 WeakPolarHBondContact O-CB 3.31Å; T167-K170 PolarHBondContact O-N 2.8Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.83Å; K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.16Å; K170-A174 PolarHBondContact O-N 3.39Å
171W98.3Very high98.3Very high66 Ų6671.9 Ų71.925%0.2536%0.355CS..Hα-helixtrans-71.4-37.2-178.8-76.411.1000112.6I148 W157 T167 Q168 A174 R175 V176I148-W171 HydrophobicContact CD1-CE3 4.09Å; I148-W171 HydrophobicContact CD1-CZ3 4.36Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.85Å; W157-W171 HydrophobicContact CD2-CE3 4.02Å; W157-W171 AromaticContact CE2-CE3 3.82Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.96Å; W157-W171 HydrophobicContact CE3-CZ3 3.96Å; W157-W171 HydrophobicContact CH2-CD2 4.42Å; W157-W171 AromaticContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CE3 3.24Å; W157-W171 HydrophobicContact CH2-CH2 4.47Å; W157-W171 AromaticContact CH2-CZ3 3.28Å; W157-W171 HydrophobicContact CH2-CZ3 3.28Å; W157-W171 HydrophobicContact CZ2-CD2 4.36Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CZ3 4Å; W157-W171 AromaticContact CZ3-CE3 3.49Å; W157-W171 HydrophobicContact CZ3-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.49Å; W157-W171 AromaticContact CZ3-CZ3 3.29Å; W157-W171 HydrophobicContact CZ3-CZ3 3.29Å; T167-W171 HydrophobicContact CG2-CD2 3.82Å; T167-W171 HydrophobicContact CG2-CE3 4.36Å; T167-W171 HydrophobicContact CG2-CG 4.13Å; T167-W171 HydrophobicContact CG2-CZ2 4Å; T167-W171 WeakPolarHBondContact O-CB 3.43Å; T167-W171 PolarHBondContact O-N 2.96Å; Q168-W171 PolarHBondContact O-N 2.74Å; Q168-W171 VanDerWaalsContact O-N 3.1Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3.1Å; W171-R175 PolarHBondContact O-N 2.87Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.15Å; W171-V176 HydrophobicContact CG-CG1 4.41Å; W171-V176 HydrophobicContact CG-CG2 3.89Å; W171-V176 PolarHBondContact O-N 3.27Å
172E98.6Very high98.3Very high96 Ų9672.4 Ų72.445%0.44937%0.367SS..Hα-helixtrans-64.2-48.2172-72.8169.7174.200111.1Q168 A174 R175Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.45Å; Q168-E172 PolarHBondContact NE2-OE1 2.75Å; Q168-E172 WeakPolarHBondContact O-CB 3.47Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.08Å; E172-A174 PolarHBondContact O-N 3.29Å; E172-R175 PolarHBondContact O-N 2.86Å
173A98.4Very high98.3Very high88 Ų8870 Ų7073%0.72735%0.346SS*.Hα-helixtrans-60.5-34.7176.900000112.6R169R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.29Å; R169-A173 PolarHBondContact O-N 2.74Å
174A98.3Very high98.4Very high59 Ų5969.8 Ų69.849%0.48834%0.344SS..THydrogen-bonded Turntrans-88.92.317700000114.2K170 W171 E172 V176K170-A174 VanDerWaalsContact O-CB 3.3Å; K170-A174 WeakPolarHBondContact O-CB 3.16Å; K170-A174 PolarHBondContact O-N 3.39Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3.1Å; E172-A174 PolarHBondContact O-N 3.29Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 2.81Å
175R98.1Very high98.3Very high157 Ų15774 Ų7459%0.59236%0.364SS*.THydrogen-bonded Turntrans52.239.4-178.9-61.8174.5172.6-1286.9113.9W171 E172 A177 E178W171-R175 PolarHBondContact O-N 2.87Å; E172-R175 PolarHBondContact O-N 2.86Å; R175-A177 PolarHBondContact O-N 3Å; R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.41Å; R175-E178 IonicContact CZ-OE1 3.6Å; R175-E178 IonicContact NE-OE1 2.72Å; R175-E178 IonicContact NH1-OE1 3.85Å; R175-E178 PolarHBondContact NH1-OE1 3.13Å; R175-E178 IonicContact NH1-OE2 2.81Å; R175-E178 PolarHBondContact O-N 3.08Å; R175-E178 VanDerWaalsContact O-N 3.14Å
176V98.4Very high98.3Very high29 Ų2971.5 Ų71.518%0.17636%0.358CS..Hα-helixtrans-59.9-35.2-177.41760000111.8W157 W171 A174 E178 Q179 L180W157-V176 HydrophobicContact CH2-CG1 4.47Å; W157-V176 HydrophobicContact CZ2-CB 4.3Å; W157-V176 HydrophobicContact CZ2-CG1 4.08Å; W171-V176 HydrophobicContact CB-CB 3.99Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.15Å; W171-V176 HydrophobicContact CG-CG1 4.41Å; W171-V176 HydrophobicContact CG-CG2 3.89Å; W171-V176 PolarHBondContact O-N 3.27Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.05Å; A174-V176 PolarHBondContact O-N 2.81Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 2.84Å; V176-Q179 PolarHBondContact O-N 2.98Å; V176-L180 HydrophobicContact CG1-CD1 3.81Å; V176-L180 HydrophobicContact CG1-CG 4.22Å; V176-L180 WeakPolarHBondContact O-CG 3.33Å; V176-L180 PolarHBondContact O-N 2.88Å; V176-L180 VanDerWaalsContact O-N 3.08Å
177A98.4Very high98.3Very high9 Ų972.9 Ų72.97%0.07437%0.366CS..Hα-helixtrans-60.1-37.3178.300000112.7L150 W157 R175 Q179 L180 R181L150-A177 HydrophobicContact CD1-CB 4.02Å; W157-A177 HydrophobicContact CZ2-CB 4.2Å; R175-A177 PolarHBondContact O-N 3Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.13Å; A177-L180 PolarHBondContact O-N 2.87Å; A177-R181 VanDerWaalsContact O-CB 3.24Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 3.22Å
178E98.2Very high98.3Very high111 Ų11172.1 Ų72.152%0.51936%0.361SS..Hα-helixtrans-63.1-40.3178-63.2177.6-163.800111.4R175 V176 A182R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 WeakPolarHBondContact CD-OE1 3.41Å; R175-E178 IonicContact CZ-OE1 3.6Å; R175-E178 IonicContact NE-OE1 2.72Å; R175-E178 IonicContact NH1-OE1 3.85Å; R175-E178 PolarHBondContact NH1-OE1 3.13Å; R175-E178 IonicContact NH1-OE2 2.81Å; R175-E178 PolarHBondContact O-N 3.08Å; R175-E178 VanDerWaalsContact O-N 3.14Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 2.84Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.88Å
179Q97.6Very high98.2Very high138 Ų13870.5 Ų70.565%0.64535%0.354SS*.Hα-helixtrans-68.2-42.9177.7-61.5179.94.200111.8V176 A177 A182 Y183V176-Q179 PolarHBondContact O-N 2.98Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 3.13Å; Q179-A182 PolarHBondContact O-N 2.84Å; Q179-Y183 PolarHBondContact O-N 3.05Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180L98.1Very high98.2Very high22 Ų2268.7 Ų68.712%0.11535%0.353CS..Hα-helixtrans-66.6-42.9178.2-69170000111.4D138 L150 W157 V176 A177 A182 Y183 L184D138-L180 HydrophobicContact CB-CD1 4.42Å; D138-L180 WeakPolarHBondContact OD2-CD1 3.49Å; D138-L180 VanDerWaalsContact OD2-CD2 3.27Å; D138-L180 WeakPolarHBondContact OD2-CD2 3.38Å; L150-L180 HydrophobicContact CD2-CB 4.25Å; L150-L180 HydrophobicContact CD2-CD1 4.45Å; W157-L180 HydrophobicContact CH2-CD1 3.37Å; W157-L180 HydrophobicContact CZ2-CD1 3.82Å; W157-L180 HydrophobicContact CZ3-CD1 4.5Å; V176-L180 HydrophobicContact CG1-CD1 3.81Å; V176-L180 HydrophobicContact CG1-CG 4.22Å; V176-L180 WeakPolarHBondContact O-CG 3.33Å; V176-L180 PolarHBondContact O-N 2.88Å; V176-L180 VanDerWaalsContact O-N 3.08Å; A177-L180 PolarHBondContact O-N 2.87Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.45Å; L180-Y183 PolarHBondContact O-N 2.88Å; L180-L184 WeakPolarHBondContact O-CB 3.3Å; L180-L184 VanDerWaalsContact O-CG 3.22Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 2.89Å
181R98.4Very high98.2Very high107 Ų10765.6 Ų65.640%0.40434%0.338SS..Hα-helixtrans-57-48.6173.9-177.9179.3176.6156.615.2111.4L154 A177 Y183 L184 E185L154-R181 HydrophobicContact CB-CB 4.12Å; L154-R181 HydrophobicContact CB-CG 3.98Å; L154-R181 HydrophobicContact CD1-CG 4.34Å; A177-R181 VanDerWaalsContact O-CB 3.24Å; A177-R181 WeakPolarHBondContact O-CB 3.5Å; A177-R181 PolarHBondContact O-N 3.22Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 3.23Å; R181-L184 PolarHBondContact O-N 2.68Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 WeakPolarHBondContact CG-OE2 3.27Å; R181-E185 IonicContact CZ-OE1 3.68Å; R181-E185 IonicContact CZ-OE2 3.67Å; R181-E185 VanDerWaalsContact NE-CD 3.27Å; R181-E185 IonicContact NE-OE1 3.67Å; R181-E185 PolarHBondContact NE-OE1 3.03Å; R181-E185 IonicContact NE-OE2 3.07Å; R181-E185 PolarHBondContact NE-OE2 3.04Å; R181-E185 IonicContact NH2-OE1 3.73Å; R181-E185 PolarHBondContact NH2-OE1 2.85Å; R181-E185 IonicContact NH2-OE2 3.79Å; R181-E185 WeakPolarHBondContact O-CB 3.19Å; R181-E185 PolarHBondContact O-N 2.86Å
182A98.4Very high98.2Very high66 Ų6662.4 Ų62.455%0.54533%0.326SS..Hα-helixtrans-59.2-38.7177.700000112.5E178 Q179 L180 G186E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.88Å; Q179-A182 PolarHBondContact O-N 2.84Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-A182 PolarHBondContact O-N 3.45Å; A182-G186 PolarHBondContact O-N 3.07Å
183Y98.3Very high98.2Very high59 Ų5963.5 Ų63.523%0.23133%0.326CS..Iπ-helixtrans-67.4-48.3173.7170.9-97.2000112.4Y123 Q179 L180 R181 G186 L187 C188Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.69Å; Y123-Y183 HydrophobicContact CE2-CE1 3.69Å; Y123-Y183 AromaticContact CE2-CZ 3.94Å; Q179-Y183 PolarHBondContact O-N 3.05Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; L180-Y183 PolarHBondContact O-N 2.88Å; R181-Y183 VanDerWaalsContact C-N 3.28Å; R181-Y183 PolarHBondContact O-N 3.23Å; Y183-G186 CarbonylContact O-C 3.5Å; Y183-G186 PolarHBondContact O-N 2.85Å; Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.17Å; Y183-L187 HydrophobicContact CE2-CB 4.07Å; Y183-L187 PolarHBondContact O-N 3.13Å; Y183-L187 VanDerWaalsContact O-N 3.1Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 3.12Å
184L98.5Very high98.1Very high1 Ų165.2 Ų65.21%0.00531%0.314CS..Iπ-helixtrans-70.1-39.7-173.8-70.5171.8000112.5G124 L150 L154 L180 R181 V189G124-L184 VanDerWaalsContact O-CD2 3.22Å; G124-L184 WeakPolarHBondContact O-CD2 3.44Å; L150-L184 HydrophobicContact CD2-CD1 3.96Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L180-L184 WeakPolarHBondContact O-CB 3.3Å; L180-L184 VanDerWaalsContact O-CG 3.22Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 2.89Å; R181-L184 PolarHBondContact O-N 2.68Å; L184-V189 WeakPolarHBondContact O-CG2 3.46Å
185E98.1Very high98.1Very high88 Ų8862.5 Ų62.541%0.41129%0.291SS..Iπ-helixtrans-79.2-24.6177.1-68-179.9158.400113L133 L154 R181L133-E185 HydrophobicContact CD2-CB 4.36Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L154-E185 HydrophobicContact CD1-CG 4.08Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 WeakPolarHBondContact CG-OE2 3.27Å; R181-E185 IonicContact CZ-OE1 3.68Å; R181-E185 IonicContact CZ-OE2 3.67Å; R181-E185 VanDerWaalsContact NE-CD 3.27Å; R181-E185 IonicContact NE-OE1 3.67Å; R181-E185 PolarHBondContact NE-OE1 3.03Å; R181-E185 IonicContact NE-OE2 3.07Å; R181-E185 PolarHBondContact NE-OE2 3.04Å; R181-E185 IonicContact NH2-OE1 3.73Å; R181-E185 PolarHBondContact NH2-OE1 2.85Å; R181-E185 IonicContact NH2-OE2 3.79Å; R181-E185 WeakPolarHBondContact O-CB 3.19Å; R181-E185 PolarHBondContact O-N 2.86Å
186G97.8Very high98Very high23 Ų2355.7 Ų55.724%0.23727%0.266CS..Iπ-helixtrans-107.3-92.8-178.300000112.9A182 Y183 C188 V189 E190A182-G186 PolarHBondContact O-N 3.07Å; Y183-G186 CarbonylContact O-C 3.5Å; Y183-G186 PolarHBondContact O-N 2.85Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.99Å; G186-V189 WeakPolarHBondContact O-CB 3.4Å; G186-V189 PolarHBondContact O-N 3.42Å; G186-V189 VanDerWaalsContact O-N 3.09Å; G186-E190 WeakPolarHBondContact O-CG 3.37Å; G186-E190 PolarHBondContact O-N 2.85Å
187L97.7Very high97.9Very high87 Ų8760.1 Ų60.146%0.45528%0.284SS..Iπ-helixtrans-55.7-40.4-169.7-71175.8000113.5Y183 V189 E190 W191Y183-L187 HydrophobicContact CD2-CB 3.83Å; Y183-L187 HydrophobicContact CD2-CD1 4.17Å; Y183-L187 HydrophobicContact CE2-CB 4.07Å; Y183-L187 PolarHBondContact O-N 3.13Å; Y183-L187 VanDerWaalsContact O-N 3.1Å; L187-V189 PolarHBondContact O-N 3.31Å; L187-E190 PolarHBondContact O-N 3.21Å; L187-W191 WeakPolarHBondContact O-CB 3.41Å; L187-W191 PolarHBondContact O-N 3.24Å
188C98.4Very high97.9Very high0 Ų062.1 Ų62.10%029%0.294CS..Hα-helixtrans-60.2-47.7179.2-171.30000111.1M29 C125 Y183 G186 W191 L192M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 VanDerWaalsContact CE-O 3.24Å; M29-C188 WeakPolarHBondContact CE-O 3.48Å; M29-C188 WeakPolarHBondContact CE-SG 3.46Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.33Å; C125-C188 PolarHBondContact N-SG 2.61Å; C125-C188 WeakPolarHBondContact SG-CB 3.46Å; C125-C188 PolarHBondContact SG-O 2.94Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.48Å; Y183-C188 HydrophobicContact CD1-CB 4.33Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 3.12Å; G186-C188 VanDerWaalsContact C-N 3.3Å; G186-C188 PolarHBondContact O-N 2.99Å; C188-W191 PolarHBondContact O-N 2.77Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 2.84Å
189V98.3Very high97.7Very high7 Ų757 Ų574%0.04227%0.271CS..Hα-helixtrans-63.3-45.3178.3175.30000111L127 L133 L184 G186 L187 L192 R193L127-V189 HydrophobicContact CD2-CB 4.2Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.85Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 3.99Å; L184-V189 WeakPolarHBondContact O-CG2 3.46Å; G186-V189 WeakPolarHBondContact O-CB 3.4Å; G186-V189 PolarHBondContact O-N 3.42Å; G186-V189 VanDerWaalsContact O-N 3.09Å; L187-V189 PolarHBondContact O-N 3.31Å; V189-L192 PolarHBondContact O-N 2.96Å; V189-R193 VanDerWaalsContact CG1-CZ 3.41Å; V189-R193 WeakPolarHBondContact O-CG 3.27Å; V189-R193 PolarHBondContact O-N 3.14Å
190E98.1Very high97.6Very high118 Ų11855.6 Ų55.655%0.55126%0.263SS*.Hα-helixtrans-61-47.6179.2-71176-179.600112.1G186 L187 R193 R194G186-E190 WeakPolarHBondContact O-CG 3.37Å; G186-E190 PolarHBondContact O-N 2.85Å; L187-E190 PolarHBondContact O-N 3.21Å; E190-R193 PolarHBondContact O-N 3.3Å; E190-R194 PolarHBondContact O-N 3.2Å; E190-R194 VanDerWaalsContact O-N 3.07Å
191W98.2Very high97.3Very high46 Ų4662.5 Ų62.517%0.17430%0.295CS..Hα-helixtrans-66.9-42.5178.9-82.1108.3000112.1M29 Y83 L187 C188 R193 R194 Y195M29-W191 HydrophobicContact CE-CB 4.06Å; M29-W191 HydrophobicContact SD-CB 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CH2 3.57Å; Y83-W191 HydrophobicContact CD2-CZ2 4.14Å; Y83-W191 AromaticContact CD2-CZ3 3.96Å; Y83-W191 HydrophobicContact CD2-CZ3 3.96Å; Y83-W191 HydrophobicContact CE2-CE3 4.41Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CZ2 4.42Å; Y83-W191 AromaticContact CE2-CZ3 3.92Å; Y83-W191 HydrophobicContact CE2-CZ3 3.92Å; L187-W191 WeakPolarHBondContact O-CB 3.41Å; L187-W191 PolarHBondContact O-N 3.24Å; C188-W191 PolarHBondContact O-N 2.77Å; W191-R193 PolarHBondContact O-N 2.9Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 2.92Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CD2-CE1 4.5Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.31Å; W191-Y195 AromaticContact CE3-CZ 3.37Å; W191-Y195 AromaticContact CZ3-CE1 3.81Å; W191-Y195 HydrophobicContact CZ3-CE1 3.81Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 3.14Å
192L98.4Very high97Very high0 Ų059.4 Ų59.40%029%0.288CS..Hα-helixtrans-60.6-45.1176.7174.851.2000111.4H27 M29 V52 L127 C188 V189 R194 Y195 L196H27-L192 HydrophobicContact CB-CD1 4.47Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.35Å; M29-L192 HydrophobicContact SD-CB 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; L127-L192 HydrophobicContact CD1-CB 4.27Å; L127-L192 HydrophobicContact CD1-CD2 3.66Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.57Å; L127-L192 HydrophobicContact CG-CG 4.24Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.39Å; C188-L192 PolarHBondContact O-N 2.84Å; V189-L192 PolarHBondContact O-N 2.96Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.82Å; L192-Y195 PolarHBondContact O-N 2.7Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.21Å; L192-L196 PolarHBondContact O-N 3.42Å
193R97.2Very high96.8Very high119 Ų11956.5 Ų56.545%0.44926%0.263SS..Hα-helixtrans-59.1-43.8174.7-72.4176.7-173.7153.5-0.4112.3L127 G131 V189 E190 W191 Y195 L196 E197L127-R193 HydrophobicContact CD1-CG 3.97Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 3.28Å; G131-R193 PolarHBondContact O-NH2 3.2Å; V189-R193 VanDerWaalsContact CG1-CZ 3.41Å; V189-R193 WeakPolarHBondContact O-CG 3.27Å; V189-R193 PolarHBondContact O-N 3.14Å; E190-R193 PolarHBondContact O-N 3.3Å; W191-R193 PolarHBondContact O-N 2.9Å; R193-Y195 PolarHBondContact O-N 3.34Å; R193-L196 PolarHBondContact O-N 3.34Å; R193-E197 PolarHBondContact O-N 3.21Å
194R97.4Very high96.5Very high124 Ų12458 Ų5847%0.46827%0.272SS..Hα-helixtrans-60.8-44.1176.1177.5178.2173.8121.1-5.1111.5E79 E190 W191 L192 E197 N198E79-R194 IonicContact OE1-CZ 2.75Å; E79-R194 IonicContact OE1-NE 3.81Å; E79-R194 PolarHBondContact OE1-NE 3.27Å; E79-R194 IonicContact OE1-NH2 3.8Å; E79-R194 PolarHBondContact OE1-NH2 2.95Å; E79-R194 IonicContact OE2-CZ 3.08Å; E79-R194 IonicContact OE2-NE 2.76Å; E79-R194 IonicContact OE2-NH2 2.84Å; E79-R194 PolarHBondContact OE2-NH2 3Å; E190-R194 PolarHBondContact O-N 3.2Å; E190-R194 VanDerWaalsContact O-N 3.07Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 2.92Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.82Å; R194-E197 PolarHBondContact O-N 2.86Å; R194-N198 VanDerWaalsContact O-CB 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.4Å; R194-N198 PolarHBondContact O-ND2 2.91Å; R194-N198 PolarHBondContact O-OD1 3.49Å
195Y97.9Very high96.2Very high2 Ų263.6 Ų63.61%0.00829%0.293CS..Hα-helixtrans-66.9-39.5178.8-61.6-26.2000112.5M29 V52 F57 W75 I76 Y83 W191 L192 R193 E197 N198 G199 L203M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.53Å; M29-Y195 VanDerWaalsContact SD-CE2 3.53Å; V52-Y195 HydrophobicContact CG2-CD2 3.98Å; V52-Y195 HydrophobicContact CG2-CG 4.5Å; F57-Y195 HydrophobicContact CE2-CD2 4.28Å; F57-Y195 AromaticContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CE2-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CE2 3.84Å; W75-Y195 HydrophobicContact CH2-CG 4.25Å; W75-Y195 AromaticContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD2 4.38Å; W75-Y195 AromaticContact CZ3-CG 3.7Å; W75-Y195 HydrophobicContact CZ3-CG 3.7Å; I76-Y195 HydrophobicContact CD1-CD1 3.78Å; I76-Y195 HydrophobicContact CD1-CE1 3.27Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.23Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.47Å; Y83-Y195 PolarHBondContact OH-OH 2.84Å; W191-Y195 HydrophobicContact CB-CE2 4.01Å; W191-Y195 HydrophobicContact CD2-CE1 4.5Å; W191-Y195 HydrophobicContact CE3-CD1 4.35Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.31Å; W191-Y195 AromaticContact CE3-CZ 3.37Å; W191-Y195 AromaticContact CZ3-CE1 3.81Å; W191-Y195 HydrophobicContact CZ3-CE1 3.81Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 3.14Å; L192-Y195 PolarHBondContact O-N 2.7Å; R193-Y195 PolarHBondContact O-N 3.34Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.85Å; Y195-N198 PolarHBondContact O-N 3.2Å; Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 3.14Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å
196L96.8Very high96.1Very high14 Ų1460.9 Ų60.97%0.07329%0.285CS..Hα-helixtrans-62.7-36.7174.7-70.8169.8000112.3H27 V52 L192 R193 K200 L203 Q204H27-L196 HydrophobicContact CB-CD1 3.68Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.48Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.19Å; L192-L196 VanDerWaalsContact O-CG 3.29Å; L192-L196 WeakPolarHBondContact O-CG 3.21Å; L192-L196 PolarHBondContact O-N 3.42Å; R193-L196 PolarHBondContact O-N 3.34Å; L196-K200 WeakPolarHBondContact O-CA 3.44Å; L196-K200 WeakPolarHBondContact O-CB 3.45Å; L196-K200 PolarHBondContact O-N 3.29Å; L196-K200 VanDerWaalsContact O-N 3.1Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; L196-Q204 HydrophobicContact CD2-CG 4.48Å; L196-Q204 PolarHBondContact O-NE2 3.5Å
197E96.2Very high96Very high121 Ų12161.5 Ų61.557%0.56528%0.284SS*.Hα-helixtrans-71.7-48.8174.9-172.158.8-152.900111.1R193 R194 Y195 G199 K200R193-E197 PolarHBondContact O-N 3.21Å; R194-E197 PolarHBondContact O-N 2.86Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.85Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 3.33Å; E197-K200 WeakPolarHBondContact O-CB 3.34Å; E197-K200 PolarHBondContact O-N 3.42Å
198N96.9Very high96Very high52 Ų5260.5 Ų60.528%0.27828%0.282SS..Hα-helixtrans-58.2-40.4178.3-72.6-5.4000112.7Q78 E79 R194 Y195Q78-N198 PolarHBondContact NE2-ND2 3Å; Q78-N198 PolarHBondContact NE2-OD1 3.03Å; E79-N198 PolarHBondContact OE1-ND2 3.04Å; R194-N198 VanDerWaalsContact O-CB 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 3.4Å; R194-N198 PolarHBondContact O-ND2 2.91Å; R194-N198 PolarHBondContact O-OD1 3.49Å; Y195-N198 PolarHBondContact O-N 3.2Å
199G95.9Very high96Very high3 Ų360.9 Ų60.93%0.03129%0.285CS..THydrogen-bonded Turntrans-100.914.5-176.300000114.1Y195 E197 E201 T202 L203Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 3.14Å; E197-G199 VanDerWaalsContact C-N 3.29Å; E197-G199 PolarHBondContact O-N 3.33Å; G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 2.95Å; G199-E201 VanDerWaalsContact O-N 3.15Å; G199-T202 CarbonylContact O-C 3.48Å; G199-T202 WeakPolarHBondContact O-CA 3.18Å; G199-T202 PolarHBondContact O-N 3.25Å; G199-T202 PolarHBondContact O-OG1 2.81Å; G199-L203 PolarHBondContact O-N 2.04Å
200K94.1Very high96Very high108 Ų10868.1 Ų68.147%0.4732%0.315SS..Hα-helixtrans-49.4-44.2-168.6-178.3173.3-174.3172.90114.9L196 E197 T202 Q204L196-K200 WeakPolarHBondContact O-CA 3.44Å; L196-K200 WeakPolarHBondContact O-CB 3.45Å; L196-K200 PolarHBondContact O-N 3.29Å; L196-K200 VanDerWaalsContact O-N 3.1Å; E197-K200 WeakPolarHBondContact O-CB 3.34Å; E197-K200 PolarHBondContact O-N 3.42Å; K200-T202 PolarHBondContact O-N 3.02Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.35Å; K200-Q204 PolarHBondContact O-N 2.84Å
201E92.1Very high96Very high168 Ų16864.2 Ų64.279%0.78530%0.3SS*.Hα-helixtrans-62.5-23.4179.6-62.1-173162.700113.5G199 R205G199-E201 VanDerWaalsContact C-N 3.31Å; G199-E201 PolarHBondContact O-N 2.95Å; G199-E201 VanDerWaalsContact O-N 3.15Å; E201-R205 WeakPolarHBondContact O-CB 3.37Å; E201-R205 PolarHBondContact O-NH1 2.92Å; E201-R205 VanDerWaalsContact O-NH1 3.15Å
202T92.8Very high96Very high42 Ų4265.7 Ų65.726%0.25831%0.309SS..Hα-helixtrans-100.7-71.217756.30000110.1G199 K200 Q204 R205 R263G199-T202 CarbonylContact O-C 3.48Å; G199-T202 WeakPolarHBondContact O-CA 3.18Å; G199-T202 PolarHBondContact O-N 3.25Å; G199-T202 PolarHBondContact O-OG1 2.81Å; K200-T202 PolarHBondContact O-N 3.02Å; K200-T202 VanDerWaalsContact O-N 3.16Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.32Å; T202-R205 WeakPolarHBondContact O-CB 3.24Å; T202-R205 PolarHBondContact O-N 3.06Å; T202-R263 VanDerWaalsContact CA-NH1 3.29Å; T202-R263 VanDerWaalsContact CB-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 3.08Å; T202-R263 PolarHBondContact O-NH2 3.26Å
203L93.5Very high96Very high4 Ų466.8 Ų66.82%0.02132%0.315CS..Hα-helixtrans-59.8-33.6-168.2-61.8172.3000114.3V52 T55 W75 Y195 L196 G199 R205V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.9Å; V52-L203 HydrophobicContact CG1-CD2 4.11Å; T55-L203 HydrophobicContact CG2-CD2 4.13Å; W75-L203 HydrophobicContact CD2-CD1 4.42Å; W75-L203 HydrophobicContact CH2-CD1 4.29Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.1Å; W75-L203 HydrophobicContact CZ2-CG 4.37Å; Y195-L203 WeakPolarHBondContact O-CD1 3.47Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.35Å; G199-L203 PolarHBondContact O-N 2.04Å; L203-R205 VanDerWaalsContact C-N 3.35Å
204Q91.8Very high96Very high91 Ų9162.7 Ų62.743%0.42530%0.303SS..THydrogen-bonded Turntrans-95.511.3179.6-58.9-178.937.100112.8L196 K200 T202L196-Q204 HydrophobicContact CD2-CG 4.48Å; L196-Q204 PolarHBondContact O-NE2 3.5Å; K200-Q204 HydrophobicContact CG-CB 4.48Å; K200-Q204 WeakPolarHBondContact O-CB 3.35Å; K200-Q204 PolarHBondContact O-N 2.84Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.32Å
205R93.3Very high95.9Very high118 Ų11859.4 Ų59.445%0.44529%0.293SS..  trans-105.7117.4176.7-169.8-177.378-144.24.2110E201 T202 L203 D207 Y233E201-R205 WeakPolarHBondContact O-CB 3.37Å; E201-R205 PolarHBondContact O-NH1 2.92Å; E201-R205 VanDerWaalsContact O-NH1 3.15Å; T202-R205 WeakPolarHBondContact O-CB 3.24Å; T202-R205 PolarHBondContact O-N 3.06Å; L203-R205 VanDerWaalsContact C-N 3.35Å; R205-D207 IonicContact CZ-OD1 3.97Å; R205-D207 IonicContact CZ-OD2 2.84Å; R205-D207 IonicContact NE-OD1 3.66Å; R205-D207 PolarHBondContact NE-OD1 2.91Å; R205-D207 IonicContact NE-OD2 2.72Å; R205-D207 IonicContact NH2-OD1 3.67Å; R205-D207 IonicContact NH2-OD2 2.67Å; R205-D207 PolarHBondContact NH2-OD2 3.16Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å
206A95.2Very high95.8Very high31 Ų3163.3 Ų63.326%0.25631%0.311SS..PPolyproline II helixtrans-86.3126.5166.900000110.1Y233 E288A206-Y233 CarbonylContact C-O 3.51Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.05Å; A206-E288 HydrophobicContact CB-CB 4.5Å; A206-E288 HydrophobicContact CB-CG 4.43Å
207D96.7Very high95.6Very high37 Ų3767.4 Ų67.420%0.19834%0.339CS..BIsolated β-bridgetrans-100.5116.9175.5-67.5-33.5000107.7R205 F232 Y233 H287R205-D207 IonicContact CZ-OD1 3.97Å; R205-D207 IonicContact CZ-OD2 2.84Å; R205-D207 IonicContact NE-OD1 3.66Å; R205-D207 PolarHBondContact NE-OD1 2.91Å; R205-D207 IonicContact NE-OD2 2.72Å; R205-D207 IonicContact NH2-OD1 3.67Å; R205-D207 IonicContact NH2-OD2 2.67Å; R205-D207 PolarHBondContact NH2-OD2 3.16Å; D207-F232 CarbonylContact O-C 3.46Å; D207-F232 WeakPolarHBondContact O-CA 3.43Å; D207-F232 WeakPolarHBondContact O-CB 3.31Å; D207-Y233 PolarHBondContact N-O 2.92Å; D207-Y233 PolarHBondContact O-N 3.46Å; D207-H287 PolarHBondContact O-CE1 3.35Å
208P97.7Very high95.4Very high65 Ų6566.1 Ų66.142%0.42234%0.339SS..PPolyproline II helixtrans-70.2150.2-175.825-32.7000112.8L290P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.45Å
209P98.3Very high95.2Very high9 Ų966.1 Ų66.16%0.05834%0.343CS..PPolyproline II helixtrans-67.8135.4178.928.3-35.2000112.3T211 A229 F232 I237 V285 H287 L290P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.27Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.13Å; P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.1Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.19Å
210K98.4Very high94.9Very high158 Ų15873 Ų7369%0.68738%0.379SS*.EExtended strand (participates in β ladder)trans-80.2109.8163.2-64.4173-174.4169.20108.1L230K210-L230 PolarHBondContact N-O 2.66Å; K210-L230 PolarHBondContact O-N 3.45Å
211T98.3Very high94.8Very high36 Ų3674.8 Ų74.822%0.22139%0.389CS..EExtended strand (participates in β ladder)trans-109.6140-172.354.20000112.7P209 W228 A229 V285 L294 L296P209-T211 HydrophobicContact CB-CG2 3.98Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.27Å; T211-W228 WeakPolarHBondContact CA-O 3.06Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 3.98Å; T211-L294 HydrophobicContact CG2-CD1 4.27Å; T211-L296 HydrophobicContact CG2-CD1 4.43Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.25Å
212H97.4Very high95Very high78 Ų7871.2 Ų71.236%0.36137%0.372SS..EExtended strand (participates in β ladder)trans-155.7158.9170.964.2-75.2000110.8W228H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.48Å; H212-W228 AromaticContact CE1-CD1 3.91Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.1Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 2.88Å
213V98.3Very high95.1Very high22 Ų2269.2 Ų69.213%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-111.4129.7176.7-179.20000109.2L225 R226 C227 W241 L296 W298V213-L225 HydrophobicContact CG1-CB 4.43Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; V213-R226 WeakPolarHBondContact CA-O 3.22Å; V213-C227 HydrophobicContact CG2-CB 4.43Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214T96.9Very high95.3Very high34 Ų3470.1 Ų70.121%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-108.8146.5175.852.80000110H216 L225 R226 W228T214-H216 PolarHBondContact OG1-CE1 3.44Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; T214-R226 PolarHBondContact N-O 2.82Å; T214-R226 PolarHBondContact O-N 2.86Å; T214-R226 WeakPolarHBondContact OG1-CB 3.1Å; T214-R226 PolarHBondContact OG1-O 3.01Å; T214-R226 VanDerWaalsContact OG1-O 3.1Å; T214-W228 PolarHBondContact OG1-NE1 2.76Å
215H96.2Very high95.6Very high55 Ų5565.8 Ų65.826%0.25535%0.346SS..EExtended strand (participates in β ladder)trans-120.9125.6-178.3169.8-93000109.7A223 L225 E278 W298H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.65Å; H215-W298 HydrophobicContact CB-CD2 4.09Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.95Å
216H94.8Very high95.9Very high83 Ų8362.7 Ų62.738%0.38433%0.334SS..EExtended strand (participates in β ladder)trans-127.7104.6-178.7-57.182.7000108.9T214 V218 A223 T224 R226T214-H216 PolarHBondContact OG1-CE1 3.44Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; H216-V218 PolarHBondContact O-N 2.88Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; H216-T224 PolarHBondContact N-O 2.84Å; H216-T224 PolarHBondContact O-N 3.15Å; H216-R226 PolarHBondContact CE1-NH1 3.47Å
217P93.9Very high96Very high101 Ų10161.2 Ų61.266%0.65632%0.322SS*.EExtended strand (participates in β ladder)trans-57.9131172.7-20.330.7000110.5
218V91.3Very high96.1Very high94 Ų9462 Ų6257%0.5732%0.322SS*.  trans-104.1-41176.3-179.10000110H216 E222 T224H216-V218 PolarHBondContact O-N 2.88Å; V218-E222 PolarHBondContact N-O 2.62Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.29Å
219S92.1Very high96.2Very high51 Ų5158.9 Ų58.936%0.35730%0.302SS..SBendtrans-146.9-179.5174.372.50000110.3H221 E222S219-H221 PolarHBondContact O-N 2.92Å; S219-H221 PolarHBondContact OG-N 2.91Å; S219-E222 PolarHBondContact N-O 2.84Å; S219-E222 PolarHBondContact O-N 2.8Å; S219-E222 VanDerWaalsContact O-O 3.06Å; S219-E222 PolarHBondContact OG-N 2.79Å
220D89.7Confident96.2Very high148 Ų14861 Ų6179%0.79131%0.312SS*.SBendtrans-62.4-21.1172.7-65.6-21.7000112.5S275D220-S275 PolarHBondContact O-OG 3.2Å
221H93.1Very high96.2Very high146 Ų14654.7 Ų54.768%0.67629%0.292SS*.SBendtrans-105.1-15.6-174.6-56.3-49.7000113.9S219 P274 S275S219-H221 PolarHBondContact O-N 2.92Å; S219-H221 PolarHBondContact OG-N 2.91Å; H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.24Å; H221-S275 PolarHBondContact O-N 3.33Å; H221-S275 PolarHBondContact O-OG 3.21Å
222E95.3Very high96.1Very high92 Ų9253 Ų5343%0.4328%0.282SS..EExtended strand (participates in β ladder)trans-144.1144.5-171.5-65.9-179.9168.900112.5V218 S219 V272 V273 S275V218-E222 PolarHBondContact N-O 2.62Å; S219-E222 PolarHBondContact N-O 2.84Å; S219-E222 PolarHBondContact O-N 2.8Å; S219-E222 VanDerWaalsContact O-O 3.06Å; S219-E222 PolarHBondContact OG-N 2.79Å; E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; E222-V273 WeakPolarHBondContact CA-O 3.49Å; E222-S275 PolarHBondContact N-OG 3.34Å
223A96Very high96.1Very high1 Ų149.5 Ų49.51%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-132.4155.8171.100000110.9H215 H216 V272 V273H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; A223-V272 WeakPolarHBondContact O-CA 3.3Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 2.86Å; A223-V273 PolarHBondContact O-N 2.94Å
224T97.6Very high96Very high23 Ų2349.2 Ų49.214%0.14126%0.264CS..EExtended strand (participates in β ladder)trans-98.3120.8170.8-56.50000109.7H216 V218 A270 V271H216-T224 PolarHBondContact N-O 2.84Å; H216-T224 PolarHBondContact O-N 3.15Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.29Å; T224-A270 HydrophobicContact CG2-CB 3.95Å; T224-V271 WeakPolarHBondContact CA-O 3.39Å
225L98.1Very high96.1Very high0 Ų048.3 Ų48.30%026%0.26CS..EExtended strand (participates in β ladder)trans-92125.2165.5-64-175.6000109V213 T214 H215 W241 A270 V271 V273 E278 W298V213-L225 HydrophobicContact CG1-CB 4.43Å; V213-L225 HydrophobicContact CG1-CD2 4.41Å; T214-L225 WeakPolarHBondContact O-CA 3.46Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; L225-A270 CarbonylContact O-C 3.51Å; L225-A270 WeakPolarHBondContact O-CA 3.3Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.48Å; L225-V271 PolarHBondContact O-N 3.46Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 3.98Å
226R98.4Very high96.1Very high53 Ų5351.4 Ų51.420%0.227%0.274CS..EExtended strand (participates in β ladder)trans-121.4117.5176.1-178.7-179.2-63.31143110.4V213 T214 H216 W228 W268 A269 A270V213-R226 WeakPolarHBondContact CA-O 3.22Å; T214-R226 PolarHBondContact N-O 2.82Å; T214-R226 PolarHBondContact O-N 2.86Å; T214-R226 WeakPolarHBondContact OG1-CB 3.1Å; T214-R226 PolarHBondContact OG1-O 3.01Å; T214-R226 VanDerWaalsContact OG1-O 3.1Å; H216-R226 PolarHBondContact CE1-NH1 3.47Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.22Å; R226-A269 WeakPolarHBondContact CA-O 3.35Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.14Å
227C98.4Very high96.2Very high0 Ų047.9 Ų47.90%026%0.258CS..EExtended strand (participates in β ladder)trans-90.7121.4175.3-173.40000109.6V213 W241 W268 A269 C283V213-C227 HydrophobicContact CG2-CB 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.34Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.04Å; C227-A269 PolarHBondContact N-O 2.84Å; C227-A269 PolarHBondContact O-N 3.49Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.29Å; C227-C283 WeakPolarHBondContact SG-CB 3.39Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.32Å
228W98.5Very high96.4Very high53 Ų5345.3 Ų45.320%0.20124%0.241CC..EExtended strand (participates in β ladder)trans-103.5141.8179.9-69.589.4000110.6T211 H212 T214 R226 L230 W268T211-W228 WeakPolarHBondContact CA-O 3.06Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.48Å; H212-W228 AromaticContact CE1-CD1 3.91Å; H212-W228 AromaticContact CE1-CG 3.68Å; H212-W228 PolarHBondContact N-O 3.1Å; H212-W228 AromaticContact NE2-CD1 3.52Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 2.88Å; T214-W228 PolarHBondContact OG1-NE1 2.76Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.41Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CB-CG 4.5Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.33Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å
229A98.6Very high96.7Very high0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-124.6123162.100000107.8P209 T211 F232 I237 L239 Q266 K267P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.35Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.5Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.38Å; A229-K267 PolarHBondContact N-O 3Å; A229-K267 PolarHBondContact O-N 3.21Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230L98.5Very high97Very high54 Ų5440.5 Ų40.528%0.28321%0.209SC..EExtended strand (participates in β ladder)trans-130.6147.8-174.7-58.9176.9000111K210 W228 F232 Q266K210-L230 PolarHBondContact N-O 2.66Å; K210-L230 PolarHBondContact O-N 3.45Å; W228-L230 HydrophobicContact CB-CG 4.5Å; W228-L230 HydrophobicContact CE3-CD2 3.88Å; W228-L230 HydrophobicContact CZ3-CD2 4.43Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 3.4Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å
231G97.9Very high97.4Very high25 Ų2533.5 Ų33.526%0.25817%0.172SC..EExtended strand (participates in β ladder)trans70.728.6167.300000114.2F265G231-F265 PolarHBondContact N-O 3.17Å
232F98.2Very high97.6Very high0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-101.2155.4-17959.5-89.3000112.9D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287D207-F232 CarbonylContact O-C 3.46Å; D207-F232 WeakPolarHBondContact O-CA 3.43Å; D207-F232 WeakPolarHBondContact O-CB 3.31Å; P209-F232 HydrophobicContact CB-CB 3.83Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.13Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.5Å; L230-F232 VanDerWaalsContact C-N 3.35Å; L230-F232 PolarHBondContact O-N 3.4Å; F232-P234 WeakPolarHBondContact CD2-O 3.29Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; F232-T264 CarbonylContact O-C 3.57Å; F232-T264 WeakPolarHBondContact O-CA 3.29Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.5Å; F232-F265 HydrophobicContact CD2-CB 3.98Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.27Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.1Å; F232-F265 PolarHBondContact O-N 2.89Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.67Å
233Y97.1Very high97.7Very high4 Ų427.5 Ų27.52%0.01614%0.141CC..BIsolated β-bridgetrans-149.9136.5172177.7-84.9000109D54 T55 R205 A206 D207 R263 F265 H287D54-Y233 HydrophobicContact CB-CE2 3.88Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.42Å; T55-Y233 PolarHBondContact OG1-OH 3.24Å; T55-Y233 VanDerWaalsContact OG1-OH 3.08Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å; A206-Y233 CarbonylContact C-O 3.51Å; A206-Y233 VanDerWaalsContact CA-O 3.25Å; A206-Y233 WeakPolarHBondContact CA-O 3.05Å; D207-Y233 PolarHBondContact N-O 2.92Å; D207-Y233 PolarHBondContact O-N 3.46Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.25Å; Y233-R263 HydrophobicContact CD2-CG 3.98Å; Y233-R263 HydrophobicContact CE2-CG 4.17Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.3Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.04Å; Y233-F265 HydrophobicContact CE2-CE2 4.49Å; Y233-H287 PolarHBondContact O-CE1 2.83Å
234P96.3Very high97.7Very high17 Ų1732.2 Ų32.211%0.1117%0.166CC..SBendcis-71.9179.12.830.3-36.4000113.4D54 F232 E236 H287D54-P234 VanDerWaalsContact OD2-CB 3.22Å; D54-P234 WeakPolarHBondContact OD2-CB 3.35Å; F232-P234 WeakPolarHBondContact CD2-O 3.29Å; P234-E236 VanDerWaalsContact C-N 3.34Å; P234-H287 PolarHBondContact O-NE2 3Å
235A97.3Very high97.4Very high15 Ų1533.5 Ų33.512%0.12418%0.184CC..SBendtrans-70.3-28.7-175.900000113.5D54 I237 T257 F265D54-A235 HydrophobicContact CB-CB 4.32Å; D54-A235 WeakPolarHBondContact OD2-CB 3.39Å; D54-A235 PolarHBondContact OD2-N 3.32Å; A235-I237 PolarHBondContact O-N 3.12Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.39Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.63Å
236E96.6Very high97.3Very high119 Ų11940.3 Ų40.356%0.55622%0.216SC*.  trans-62123.4178.5-169.357.2-140.700109.2W23 P234 H287W23-E236 HydrophobicContact CE3-CG 4.22Å; W23-E236 HydrophobicContact CH2-CB 4.22Å; W23-E236 HydrophobicContact CH2-CG 3.39Å; W23-E236 HydrophobicContact CZ2-CG 3.89Å; W23-E236 HydrophobicContact CZ3-CB 3.92Å; W23-E236 HydrophobicContact CZ3-CG 3.56Å; W23-E236 WeakPolarHBondContact CZ3-O 3.37Å; P234-E236 VanDerWaalsContact C-N 3.34Å; E236-H287 PolarHBondContact O-CD2 3.39Å
237I97.3Very high97.2Very high9 Ų942.4 Ų42.45%0.04623%0.231CC..  trans-159.2143.4-177.3-164.5171.5000109.2P209 A229 F232 A235 L239 K267 V285 Q286 H287P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.11Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.49Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.8Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; A235-I237 PolarHBondContact O-N 3.12Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.64Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.29Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å
238T97.8Very high97Very high47 Ų4743.5 Ų43.529%0.28824%0.236SC..EExtended strand (participates in β ladder)trans-114.6123.4174.3-60.90000110.5T240 V285 Q286T238-T240 HydrophobicContact CG2-CG2 4.08Å; T238-V285 WeakPolarHBondContact O-CA 3.03Å; T238-Q286 PolarHBondContact N-O 2.8Å; T238-Q286 PolarHBondContact O-N 3.41Å
239L97.9Very high96.6Very high6 Ų646.1 Ų46.13%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-117.8124.5172.6-86.463.8000108.6A229 I237 L254 K267 A269 H284 V285A229-L239 HydrophobicContact CB-CD1 4.01Å; A229-L239 HydrophobicContact CB-CD2 4.15Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.67Å; I237-L239 HydrophobicContact CG2-CD1 4.1Å; L239-L254 HydrophobicContact CB-CD1 4.16Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.28Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240T97.8Very high96.2Very high38 Ų3855.2 Ų55.223%0.23330%0.3CS..EExtended strand (participates in β ladder)trans-135.1144.2178.747.30000111T238 C283 H284T238-T240 HydrophobicContact CG2-CG2 4.08Å; T240-C283 CarbonylContact O-C 3.49Å; T240-C283 WeakPolarHBondContact O-CA 3.42Å; T240-H284 PolarHBondContact N-O 3.4Å; T240-H284 PolarHBondContact O-N 3.44Å; T240-H284 WeakPolarHBondContact OG1-CB 3.35Å
241W98.3Very high95.7Very high2 Ų258 Ų581%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-101.8136.6169.6-82.8106.4000109.9V213 L225 C227 Q248 A269 V271 T282 C283V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.79Å; L225-W241 HydrophobicContact CB-CZ3 4.49Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.21Å; C227-W241 HydrophobicContact CB-CH2 4.47Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.86Å; W241-A269 PolarHBondContact NE1-O 2.78Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.2Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.37Å; W241-T282 WeakPolarHBondContact CA-O 3.48Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242Q98Very high95.5Very high41 Ų4157.9 Ų57.919%0.19231%0.31CS..EExtended strand (participates in β ladder)trans-121.5145.4171.6-70-173.8-7.800110.3E246 D247 Y281 T282 H284Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.44Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.39Å; Q242-D247 PolarHBondContact NE2-OD1 2.87Å; Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.03Å; Q242-T282 PolarHBondContact N-O 3.31Å; Q242-T282 PolarHBondContact O-N 3.4Å; Q242-H284 PolarHBondContact OE1-NE2 2.8Å
243R97.4Very high95.5Very high70 Ų7063.2 Ų63.226%0.26434%0.335SS..EExtended strand (participates in β ladder)trans-116.4117.7168.2-176.2-172.3-175.8178.8-0.4108.1G245 E246 Q248 E277 R280 Y281R243-G245 PolarHBondContact O-N 2.95Å; R243-E246 PolarHBondContact N-O 3.29Å; R243-E246 PolarHBondContact O-N 3.14Å; R243-Q248 HydrophobicContact CB-CG 4Å; R243-E277 IonicContact CZ-OE2 3.54Å; R243-E277 IonicContact NE-OE2 3.79Å; R243-E277 IonicContact NH2-OE1 3.1Å; R243-E277 IonicContact NH2-OE2 3.92Å; R243-E277 PolarHBondContact NH2-OE2 2.88Å; R243-R280 WeakPolarHBondContact CA-O 3.36Å; R243-R280 HydrophobicContact CG-CB 4.38Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.41Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å
244D95.6Very high95.5Very high101 Ų10167.3 Ų67.354%0.5436%0.356SS..THydrogen-bonded Turntrans50.528.8-175.4-53.7-50.1000114.4R280D244-R280 PolarHBondContact N-O 3.37Å; D244-R280 IonicContact OD1-NE 3.6Å; D244-R280 PolarHBondContact OD1-NE 2.89Å; D244-R280 IonicContact OD2-CZ 3.07Å; D244-R280 IonicContact OD2-NE 3.65Å; D244-R280 PolarHBondContact OD2-NE 2.83Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3.4Å
245G91.8Very high95.5Very high49 Ų4968.1 Ų68.151%0.50536%0.361SS..THydrogen-bonded Turntrans91.8-0.8-177.800000115.5R243R243-G245 PolarHBondContact O-N 2.95Å
246E95.7Very high95.5Very high144 Ų14475.1 Ų75.167%0.67339%0.391SS*.EExtended strand (participates in β ladder)trans-98.2127.5175.9-63.1-173.2169.600111.8Q242 R243 Q248Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.44Å; R243-E246 PolarHBondContact N-O 3.29Å; R243-E246 PolarHBondContact O-N 3.14Å; E246-Q248 PolarHBondContact O-NE2 2.71Å
247D95.6Very high95.5Very high96 Ų9671.5 Ų71.551%0.51338%0.377SS..EExtended strand (participates in β ladder)trans-62.2134.3-179.4-68.6-24.1000112.3Q242Q242-D247 WeakPolarHBondContact CG-OD1 3.39Å; Q242-D247 PolarHBondContact NE2-OD1 2.87Å
248Q95.3Very high95.6Very high24 Ų2475.9 Ų75.911%0.11239%0.393CS..  trans-104.637.7-177.5-57.6-61.1-70.100112.1W241 R243 E246 Q250 D251 T252 Y281W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.86Å; R243-Q248 HydrophobicContact CB-CG 4Å; E246-Q248 PolarHBondContact O-NE2 2.71Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.35Å; Q248-D251 PolarHBondContact O-N 2.94Å; Q248-T252 WeakPolarHBondContact O-CB 3.5Å; Q248-T252 PolarHBondContact O-N 3.3Å; Q248-T252 PolarHBondContact O-OG1 2.91Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å
249T89.6Confident95.5Very high107 Ų10778 Ų7866%0.65641%0.407SS*.THydrogen-bonded Turntrans-58.5-36.7-168.9-47.40000113.9
250Q89.8Confident95.5Very high191 Ų19180 Ų8089%0.89343%0.426SS*.THydrogen-bonded Turntrans-75.6-32.2-178.6-66.3-174.68.100113Q248 T252Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 3.35Å; Q250-T252 VanDerWaalsContact C-N 3.34Å
251D87.9Confident95.3Very high112 Ų11282 Ų8260%0.59945%0.453SS*.THydrogen-bonded Turntrans-93.30.8-177.9-56.5-52.9000112.4Q248Q248-D251 PolarHBondContact O-N 2.94Å
252T95Very high95Very high24 Ų2487 Ų8715%0.14748%0.48CS..EExtended strand (participates in β ladder)trans-95.3120.6179.9-63.80000110.7Q248 Q250 L254 A269 A270Q248-T252 WeakPolarHBondContact O-CB 3.5Å; Q248-T252 PolarHBondContact O-N 3.3Å; Q248-T252 PolarHBondContact O-OG1 2.91Å; Q250-T252 VanDerWaalsContact C-N 3.34Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.29Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.15Å
253E96.9Very high94.8Very high112 Ų11288 Ų8852%0.52348%0.482SS..EExtended strand (participates in β ladder)trans-76.4106.7163.2-173.8-174-170.900108.9W268 A269 A270E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.37Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.49Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 2.92Å; E253-A270 PolarHBondContact O-N 3.49Å
254L96.8Very high94.8Very high89 Ų8985.4 Ų85.447%0.46647%0.474SS..EExtended strand (participates in β ladder)trans-110.5118.6177.7-17468.1000109.7L239 T252 K267 A269L239-L254 HydrophobicContact CB-CD1 4.16Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.29Å; L254-K267 HydrophobicContact CD1-CD 4.41Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
255V96.8Very high94.9Very high35 Ų3581.9 Ų81.921%0.21245%0.454CS..PPolyproline II helixtrans-84.1153.8175.5-650000112.2K267 W268V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.13Å; V255-K267 WeakPolarHBondContact O-CG 3.46Å; V255-K267 PolarHBondContact O-NZ 3.49Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.24Å; V255-W268 HydrophobicContact CG1-CH2 3.53Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.04Å; V255-W268 HydrophobicContact CG2-CD2 3.72Å; V255-W268 HydrophobicContact CG2-CE3 4.44Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.36Å; V255-W268 WeakPolarHBondContact CG2-O 3.22Å; V255-W268 PolarHBondContact N-O 3.02Å
256E97.1Very high95.2Very high161 Ų16181.6 Ų81.675%0.75244%0.44SS*.PPolyproline II helixtrans-57.5146.6168.7-68.1-57.3156.900111.9R258E256-R258 PolarHBondContact O-N 2.84Å
257T98.1Very high95.3Very high43 Ų4375.5 Ų75.526%0.26441%0.411SS..PPolyproline II helixtrans-67.3129174.4-57.10000108.4F232 A235 F265 K267F232-T257 HydrophobicContact CE2-CG2 4.15Å; F232-T257 HydrophobicContact CZ-CG2 3.97Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.39Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 3.4Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
258R97.6Very high95.5Very high101 Ų10172.1 Ų72.138%0.38139%0.391SS..EExtended strand (participates in β ladder)trans-126144.3-174.868.5-169.2-179-176.74.1111.6E256 F265 Q266E256-R258 PolarHBondContact O-N 2.84Å; R258-F265 WeakPolarHBondContact O-CA 3.41Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.06Å; R258-Q266 WeakPolarHBondContact O-CG 3.3Å; R258-Q266 PolarHBondContact O-N 3.09Å
259P97.5Very high95.6Very high91 Ų9171 Ų7159%0.59139%0.386SS*.EExtended strand (participates in β ladder)trans-68.9145.1178.229-34.7000111F265P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
260A96.7Very high96Very high50 Ų5066 Ų6641%0.41336%0.355SS..  trans-89.5-15.2172.900000113D262 T264A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 3.19Å
261G93.2Very high96.4Very high78 Ų7857.1 Ų57.180%0.80431%0.314SS*.SBendtrans96.1-5179.300000114.6
262D93.1Very high96.9Very high107 Ų10755.3 Ų55.357%0.57231%0.307SS*.SBendtrans-117.332.2-179.364.9-5.4000111.9A260 T264A260-D262 WeakPolarHBondContact CB-OD1 3.49Å; D262-T264 PolarHBondContact O-N 3.46Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 3.2Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.08Å
263R92.6Very high96.9Very high62 Ų6254.2 Ų54.223%0.23430%0.3CS..SBendtrans74-20.7-169.9-175.5-176170.6-137.7-13.8115.1T55 T202 Y233 F265T55-R263 PolarHBondContact OG1-NE 3.42Å; T202-R263 VanDerWaalsContact CA-NH1 3.29Å; T202-R263 VanDerWaalsContact CB-NH1 3.27Å; T202-R263 PolarHBondContact O-NH1 3.08Å; T202-R263 PolarHBondContact O-NH2 3.26Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.25Å; Y233-R263 HydrophobicContact CD2-CG 3.98Å; Y233-R263 HydrophobicContact CE2-CG 4.17Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.3Å; R263-F265 WeakPolarHBondContact O-CE2 3.45Å
264T97.3Very high96.9Very high17 Ų1750.9 Ų50.910%0.10429%0.288CS..  trans-85.3168.1-178.875.80000112.8F232 A260 D262F232-T264 CarbonylContact O-C 3.57Å; F232-T264 WeakPolarHBondContact O-CA 3.29Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 3.19Å; D262-T264 PolarHBondContact O-N 3.46Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 3.2Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.08Å
265F98.5Very high96.7Very high26 Ų2649.3 Ų49.311%0.11429%0.285CS..EExtended strand (participates in β ladder)trans-119.4163.6180-64.5-88000111.8D54 G231 F232 Y233 A235 T257 R258 P259 R263D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.73Å; G231-F265 PolarHBondContact N-O 3.17Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.5Å; F232-F265 HydrophobicContact CD2-CB 3.98Å; F232-F265 HydrophobicContact CE1-CB 4.29Å; F232-F265 WeakPolarHBondContact CE1-O 3.27Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.1Å; F232-F265 PolarHBondContact O-N 2.89Å; Y233-F265 HydrophobicContact CD2-CD2 4.49Å; Y233-F265 HydrophobicContact CD2-CE2 4.04Å; Y233-F265 HydrophobicContact CE2-CE2 4.49Å; A235-F265 HydrophobicContact CB-CD1 3.7Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.73Å; A235-F265 HydrophobicContact CB-CZ 3.63Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.41Å; P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.25Å; R263-F265 WeakPolarHBondContact O-CE2 3.45Å
266Q98.4Very high96.5Very high44 Ų4450.8 Ų50.821%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-141.1144.9174.344.2168.2-21.800109.9A229 L230 R258A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.38Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.06Å; R258-Q266 WeakPolarHBondContact O-CG 3.3Å; R258-Q266 PolarHBondContact O-N 3.09Å
267K98.6Very high96.4Very high16 Ų1645.7 Ų45.77%0.0728%0.283CS..EExtended strand (participates in β ladder)trans-149.7154.4176.7-161.3-176.2-171.669.30108.8A229 F232 I237 L239 L254 V255 T257A229-K267 PolarHBondContact N-O 3Å; A229-K267 PolarHBondContact O-N 3.21Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.27Å; I237-K267 HydrophobicContact CG2-CD 3.64Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L254-K267 HydrophobicContact CD1-CD 4.41Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.13Å; V255-K267 WeakPolarHBondContact O-CG 3.46Å; V255-K267 PolarHBondContact O-NZ 3.49Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 3.4Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
268W98.4Very high96.3Very high25 Ų2544.6 Ų44.610%0.09528%0.275CS..EExtended strand (participates in β ladder)trans-143.4156.4169.358.8-99.4000111.5R226 C227 W228 E253 V255 A270R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.13Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.22Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.34Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.04Å; W228-W268 HydrophobicContact CD2-CB 3.99Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.33Å; W228-W268 HydrophobicContact CZ3-CB 4.34Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.37Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; V255-W268 HydrophobicContact CB-CD2 4.47Å; V255-W268 HydrophobicContact CB-CZ2 4.37Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.24Å; V255-W268 HydrophobicContact CG1-CH2 3.53Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.04Å; V255-W268 HydrophobicContact CG2-CD2 3.72Å; V255-W268 HydrophobicContact CG2-CE3 4.44Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.36Å; V255-W268 WeakPolarHBondContact CG2-O 3.22Å; V255-W268 PolarHBondContact N-O 3.02Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
269A98.4Very high96.2Very high0 Ų044.1 Ų44.10%028%0.277CS..EExtended strand (participates in β ladder)trans-128.5131.1173.900000108.5R226 C227 L239 W241 T252 E253 L254R226-A269 WeakPolarHBondContact CA-O 3.35Å; C227-A269 PolarHBondContact N-O 2.84Å; C227-A269 PolarHBondContact O-N 3.49Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 2.78Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.49Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
270A98.1Very high96.1Very high3 Ų344.7 Ų44.73%0.02527%0.267CS..EExtended strand (participates in β ladder)trans-123.8145.2179.800000112T224 L225 R226 T252 E253 W268T224-A270 HydrophobicContact CG2-CB 3.95Å; L225-A270 CarbonylContact O-C 3.51Å; L225-A270 WeakPolarHBondContact O-CA 3.3Å; R226-A270 HydrophobicContact CB-CB 4.02Å; R226-A270 HydrophobicContact CG-CB 4.14Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.15Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 2.92Å; E253-A270 PolarHBondContact O-N 3.49Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.63Å
271V97.9Very high96.2Very high3 Ų342.6 Ų42.62%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-135.7141.5175.962.90000109T224 L225 W241 V273 Y281T224-V271 WeakPolarHBondContact CA-O 3.39Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 3.48Å; L225-V271 PolarHBondContact O-N 3.46Å; W241-V271 HydrophobicContact CB-CG1 4.37Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.2Å; W241-V271 HydrophobicContact CG-CG1 3.79Å; W241-V271 HydrophobicContact CZ2-CG1 4.37Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.02Å
272V97.4Very high96.4Very high74 Ų7439.5 Ų39.545%0.44821%0.214SC..EExtended strand (participates in β ladder)trans-85.2128.3171.3-1780000108.1E222 A223E222-V272 HydrophobicContact CB-CG1 4.06Å; E222-V272 HydrophobicContact CG-CG1 4.3Å; A223-V272 WeakPolarHBondContact O-CA 3.3Å
273V96.6Very high96.7Very high1 Ų134.4 Ų34.41%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-126.6145.4-175.6-51.90000110.3E222 A223 L225 V271 E278 Y281E222-V273 WeakPolarHBondContact CA-O 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.45Å; A223-V273 PolarHBondContact N-O 2.86Å; A223-V273 PolarHBondContact O-N 2.94Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274P96.4Very high96.9Very high43 Ų4333 Ų3328%0.27918%0.183SC..EExtended strand (participates in β ladder)trans-62.7139.9170.2-20.232.3000111.3H221 G276 E277H221-P274 CarbonylContact O-C 3.57Å; H221-P274 WeakPolarHBondContact O-CA 3.24Å; P274-G276 PolarHBondContact O-N 3.5Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.21Å; P274-E277 PolarHBondContact O-N 3.39Å
275S92.8Very high97Very high56 Ų5632.2 Ų32.239%0.39218%0.178SC..THydrogen-bonded Turntrans-55.5127.7175.1-63.50000110.9D220 H221 E222 E278D220-S275 PolarHBondContact O-OG 3.2Å; H221-S275 PolarHBondContact O-N 3.33Å; H221-S275 PolarHBondContact O-OG 3.21Å; E222-S275 PolarHBondContact N-OG 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.35Å
276G91.8Very high96.9Very high66 Ų6634.6 Ų34.668%0.6819%0.19SC*.THydrogen-bonded Turntrans89-6.4-178.400000114.9P274 E278P274-G276 PolarHBondContact O-N 3.5Å; G276-E278 WeakPolarHBondContact CA-OE2 3.28Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.2Å; G276-E278 PolarHBondContact N-OE2 3.07Å
277E95.6Very high96.9Very high54 Ų5433.1 Ų33.125%0.25218%0.183SC..  trans-1004.1176-65.6-159.1-154.600113.7R243 P274 Q279 R280 Y281R243-E277 IonicContact CZ-OE2 3.54Å; R243-E277 IonicContact NE-OE2 3.79Å; R243-E277 IonicContact NH2-OE1 3.1Å; R243-E277 IonicContact NH2-OE2 3.92Å; R243-E277 PolarHBondContact NH2-OE2 2.88Å; P274-E277 HydrophobicContact CB-CB 4.3Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.21Å; P274-E277 PolarHBondContact O-N 3.39Å; E277-Q279 PolarHBondContact O-N 3.5Å; E277-R280 WeakPolarHBondContact O-CB 3.45Å; E277-R280 PolarHBondContact O-N 2.9Å; E277-R280 IonicContact OE1-NH1 2.8Å; E277-R280 IonicContact OE2-CZ 3.39Å; E277-R280 IonicContact OE2-NE 3Å; E277-R280 IonicContact OE2-NH1 2.95Å; E277-R280 PolarHBondContact OE2-NH1 3.5Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.5Å
278E95.1Very high96.6Very high20 Ų2036 Ų369%0.09320%0.196CC..G310 helixtrans-57.3-32.7-170.9-56.781-177.600112.6H215 L225 V273 S275 G276 R280 Y281 W298H215-E278 IonicContact NE2-OE1 3.65Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.34Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; S275-E278 WeakPolarHBondContact CA-OE1 3.35Å; G276-E278 WeakPolarHBondContact CA-OE2 3.28Å; G276-E278 VanDerWaalsContact N-CD 3.3Å; G276-E278 PolarHBondContact N-OE1 3.2Å; G276-E278 PolarHBondContact N-OE2 3.07Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.34Å; E278-Y281 PolarHBondContact O-N 3.05Å; E278-W298 HydrophobicContact CB-CD2 4.42Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279Q95.4Very high96.4Very high91 Ų9135.7 Ų35.743%0.42520%0.202SC..G310 helixtrans-72.7-16.1-179.1-62.6-56.7-45.600114E277 R297 W298E277-Q279 PolarHBondContact O-N 3.5Å; Q279-R297 PolarHBondContact O-NE 3.32Å; Q279-W298 PolarHBondContact NE2-O 2.99Å
280R96.8Very high96.3Very high102 Ų10236.9 Ų36.939%0.38521%0.208SC..G310 helixtrans-75.8-17172.8-63.7174.367.7178.35.5112.2R243 D244 E277 E278R243-R280 WeakPolarHBondContact CA-O 3.36Å; R243-R280 HydrophobicContact CG-CB 4.38Å; D244-R280 PolarHBondContact N-O 3.37Å; D244-R280 IonicContact OD1-NE 3.6Å; D244-R280 PolarHBondContact OD1-NE 2.89Å; D244-R280 IonicContact OD2-CZ 3.07Å; D244-R280 IonicContact OD2-NE 3.65Å; D244-R280 PolarHBondContact OD2-NE 2.83Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3.4Å; E277-R280 WeakPolarHBondContact O-CB 3.45Å; E277-R280 PolarHBondContact O-N 2.9Å; E277-R280 IonicContact OE1-NH1 2.8Å; E277-R280 IonicContact OE2-CZ 3.39Å; E277-R280 IonicContact OE2-NE 3Å; E277-R280 IonicContact OE2-NH1 2.95Å; E277-R280 PolarHBondContact OE2-NH1 3.5Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.34Å
281Y97.7Very high96.1Very high7 Ų743.2 Ų43.23%0.02725%0.249CC..EExtended strand (participates in β ladder)trans-96.1130.8-177.4-69.4-100000111.3Q242 R243 Q248 V271 V273 E277 E278Q242-Y281 CarbonylContact O-C 3.6Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.03Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.89Å; R243-Y281 WeakPolarHBondContact CD-OH 3.41Å; R243-Y281 HydrophobicContact CG-CD1 4.48Å; R243-Y281 HydrophobicContact CG-CD2 4.47Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.06Å; Q248-Y281 HydrophobicContact CG-CE1 4.34Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.41Å; V271-Y281 HydrophobicContact CG2-CE1 4.02Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.42Å; E277-Y281 WeakPolarHBondContact O-CD2 3.5Å; E278-Y281 PolarHBondContact O-N 3.05Å
282T98.1Very high95.9Very high12 Ų1250.2 Ų50.27%0.07428%0.279CS..EExtended strand (participates in β ladder)trans-124.6132.3175.447.40000110.7W241 Q242 H284 T295 L296 R297W241-T282 WeakPolarHBondContact CA-O 3.48Å; Q242-T282 PolarHBondContact N-O 3.31Å; Q242-T282 PolarHBondContact O-N 3.4Å; T282-H284 PolarHBondContact OG1-NE2 3.15Å; T282-T295 HydrophobicContact CG2-CG2 3.9Å; T282-L296 CarbonylContact C-O 3.52Å; T282-L296 WeakPolarHBondContact CA-O 3.5Å; T282-R297 HydrophobicContact CG2-CG 3.64Å
283C98.3Very high95.9Very high0 Ų050.1 Ų50.10%028%0.28CS..EExtended strand (participates in β ladder)trans-91.6129.5169.41750000109.5C227 T240 W241 T295 L296C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.29Å; C227-C283 WeakPolarHBondContact SG-CB 3.39Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.32Å; T240-C283 CarbonylContact O-C 3.49Å; T240-C283 WeakPolarHBondContact O-CA 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 3.1Å; C283-L296 PolarHBondContact O-N 3.39Å
284H98Very high95.9Very high34 Ų3452.7 Ų52.716%0.15729%0.293CS..EExtended strand (participates in β ladder)trans-109.9129.8176.9-64.5-111.8000109.7L239 T240 Q242 T282 L294 T295L239-H284 WeakPolarHBondContact CA-O 3.28Å; T240-H284 PolarHBondContact N-O 3.4Å; T240-H284 PolarHBondContact O-N 3.44Å; T240-H284 WeakPolarHBondContact OG1-CB 3.35Å; Q242-H284 PolarHBondContact OE1-NE2 2.8Å; T282-H284 PolarHBondContact OG1-NE2 3.15Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; H284-T295 PolarHBondContact ND1-OG1 2.69Å
285V98.3Very high96Very high0 Ų054.7 Ų54.70%031%0.305CS..EExtended strand (participates in β ladder)trans-123.2122.9-178.1-174.10000109.4P209 T211 I237 T238 L239 L290 P293 L294 L296P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.35Å; T211-V285 HydrophobicContact CG2-CG1 4.09Å; T211-V285 HydrophobicContact CG2-CG2 3.98Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.37Å; T238-V285 WeakPolarHBondContact O-CA 3.03Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; V285-P293 WeakPolarHBondContact O-CA 3.4Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.81Å; V285-L294 PolarHBondContact O-N 3.02Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å
286Q97.8Very high96.2Very high76 Ų7653.4 Ų53.436%0.35529%0.293SS..EExtended strand (participates in β ladder)trans-119.2130.8174.3-52.6-179.416.900109.3I237 T238 P293I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.29Å; T238-Q286 PolarHBondContact N-O 2.8Å; T238-Q286 PolarHBondContact O-N 3.41Å; Q286-P293 HydrophobicContact CG-CB 4.11Å; Q286-P293 HydrophobicContact CG-CG 4.18Å
287H96.6Very high96.4Very high12 Ų1257.2 Ų57.26%0.05629%0.287CS..  trans-158.7146.3-177.9-173.9-99.4000109.1D207 P209 F232 Y233 P234 E236 I237 G289 L290D207-H287 PolarHBondContact O-CE1 3.35Å; P209-H287 HydrophobicContact CG-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.84Å; F232-H287 AromaticContact CD2-NE2 3.67Å; Y233-H287 PolarHBondContact O-CE1 2.83Å; P234-H287 PolarHBondContact O-NE2 3Å; E236-H287 PolarHBondContact O-CD2 3.39Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å; H287-G289 PolarHBondContact ND1-N 3.07Å; H287-G289 PolarHBondContact O-N 2.89Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.34Å; H287-L290 PolarHBondContact O-N 3.14Å
288E93.8Very high96.4Very high76 Ų7656.8 Ų56.836%0.35528%0.283SS..THydrogen-bonded Turntrans-58.3-35.3-179.5-170.8-172.5165.100113W23 A206 L290W23-E288 HydrophobicContact CB-CB 4.35Å; W23-E288 HydrophobicContact CB-CG 4.27Å; W23-E288 HydrophobicContact CE3-CB 4.17Å; W23-E288 VanDerWaalsContact O-CD 3.23Å; A206-E288 HydrophobicContact CB-CB 4.5Å; A206-E288 HydrophobicContact CB-CG 4.43Å; E288-L290 PolarHBondContact O-N 3.03Å
289G94.1Very high96.2Very high20 Ų2063.7 Ų63.721%0.20632%0.316CS..THydrogen-bonded Turntrans-70-10.3178.600000113.9H287H287-G289 PolarHBondContact ND1-N 3.07Å; H287-G289 PolarHBondContact O-N 2.89Å
290L95.8Very high95.5Very high24 Ų2463.1 Ų63.113%0.12632%0.32CS..  trans-94.7126.3178.9-65.8171.2000110.9P208 P209 V285 H287 E288 K292 L294P208-L290 HydrophobicContact CB-CD2 3.9Å; P208-L290 HydrophobicContact CB-CG 4.45Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.4Å; P209-L290 HydrophobicContact CG-CG 4.19Å; V285-L290 HydrophobicContact CG1-CD1 4.2Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.34Å; H287-L290 PolarHBondContact O-N 3.14Å; E288-L290 PolarHBondContact O-N 3.03Å; L290-K292 WeakPolarHBondContact CB-O 3.35Å; L290-K292 PolarHBondContact O-N 3.18Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291P93.8Very high94Very high137 Ų13763.4 Ų63.489%0.8934%0.337SS*.SBendtrans-66.7-21.517728-35.3000112.8
292K94.1Very high91.6Very high150 Ų15068.4 Ų68.465%0.65237%0.374SS*.SBendtrans-150.7150172.561.6-178.3-179.2178.50109.1L290L290-K292 WeakPolarHBondContact CB-O 3.35Å; L290-K292 PolarHBondContact O-N 3.18Å
293P96.3Very high89Confident72 Ų7275.9 Ų75.947%0.46841%0.408SS..  trans-51.7142.1172.4-2836.2000112.1V285 Q286V285-P293 WeakPolarHBondContact O-CA 3.4Å; Q286-P293 HydrophobicContact CG-CB 4.11Å; Q286-P293 HydrophobicContact CG-CG 4.18Å
294L97.2Very high86.4Confident55 Ų5580.5 Ų80.529%0.28844%0.44SS..EExtended strand (participates in β ladder)trans-93.5143.1174.4-62.9178.5000110T211 H284 V285 L290 L296T211-L294 HydrophobicContact CG2-CD1 4.27Å; H284-L294 CarbonylContact C-O 3.54Å; H284-L294 VanDerWaalsContact CA-O 3.32Å; H284-L294 WeakPolarHBondContact CA-O 3.49Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.81Å; V285-L294 PolarHBondContact O-N 3.02Å; L290-L294 HydrophobicContact CD1-CD1 4.01Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.71Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; L294-L296 HydrophobicContact CB-CD1 4.09Å
295T97.9Very high84Confident85 Ų8584.7 Ų84.752%0.52147%0.468SS..EExtended strand (participates in β ladder)trans-122.4116.8170.4-58.50000108T282 C283 H284T282-T295 HydrophobicContact CG2-CG2 3.9Å; C283-T295 CarbonylContact O-C 3.54Å; C283-T295 WeakPolarHBondContact O-CA 3.4Å; H284-T295 PolarHBondContact ND1-OG1 2.69Å
296L97.3Very high81.8Confident29 Ų2989.5 Ų89.515%0.15249%0.493CS..EExtended strand (participates in β ladder)trans-110.8143.9-178.4-61.1101.8000110.6T211 V213 T282 C283 V285 L294T211-L296 HydrophobicContact CG2-CD1 4.43Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.25Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; T282-L296 CarbonylContact C-O 3.52Å; T282-L296 WeakPolarHBondContact CA-O 3.5Å; C283-L296 HydrophobicContact CB-CB 4.34Å; C283-L296 PolarHBondContact N-O 3.1Å; C283-L296 PolarHBondContact O-N 3.39Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å; L294-L296 HydrophobicContact CB-CD1 4.09Å
297R96.3Very high79.8Confident145 Ų14589.8 Ų89.855%0.54750%0.501SS..  trans-115.5162.8163.6-71.4-172.9176.3132.52.1109.1Q279 T282 E299Q279-R297 PolarHBondContact O-NE 3.32Å; T282-R297 HydrophobicContact CG2-CG 3.64Å; R297-E299 PolarHBondContact O-N 3.02Å
298W95.9Very high78.1Confident45 Ų4595 Ų9517%0.1753%0.528CS..PPolyproline II helixtrans-69121.7166.1170.757.8000109.7V213 H215 L225 E278 Q279 P300V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.09Å; H215-W298 HydrophobicContact CB-CG 4.12Å; H215-W298 HydrophobicContact CB-CZ2 4.03Å; H215-W298 AromaticContact CG-CE2 3.76Å; H215-W298 AromaticContact CG-CZ2 3.8Å; H215-W298 AromaticContact ND1-CZ2 3.95Å; L225-W298 HydrophobicContact CD1-CB 4.44Å; L225-W298 HydrophobicContact CD2-CB 3.82Å; L225-W298 HydrophobicContact CD2-CD2 4.43Å; L225-W298 HydrophobicContact CD2-CG 3.98Å; E278-W298 HydrophobicContact CB-CD2 4.42Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.85Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 2.99Å; W298-P300 HydrophobicContact CE3-CG 4.36Å; W298-P300 HydrophobicContact CH2-CB 4.18Å; W298-P300 HydrophobicContact CH2-CG 3.87Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 4.01Å; W298-P300 HydrophobicContact CZ3-CG 4.04Å
299E90Very high76.6Confident165 Ų16597.2 Ų97.277%0.77155%0.546SS*.PPolyproline II helixtrans-98.7119.2168.1-71.8-179.6176.200108.3R297 S301R297-E299 PolarHBondContact O-N 3.02Å; E299-S301 PolarHBondContact O-N 3.25Å; E299-S301 VanDerWaalsContact O-N 3.14Å
300P82.1Confident75.4Confident80 Ų8098.3 Ų98.352%0.51956%0.558SS.*PPolyproline II helixtrans-56.2123169.1-18.129000107.3W298 S302W298-P300 HydrophobicContact CE3-CG 4.36Å; W298-P300 HydrophobicContact CH2-CB 4.18Å; W298-P300 HydrophobicContact CH2-CG 3.87Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 4.01Å; W298-P300 HydrophobicContact CZ3-CG 4.04Å; P300-S302 PolarHBondContact O-N 2.88Å
301S63.7Low74.3Confident107 Ų107101.7 Ų101.775%0.74858%0.575SS**  trans-53.1114.217833.50000108E299 Q303E299-S301 PolarHBondContact O-N 3.25Å; E299-S301 VanDerWaalsContact O-N 3.14Å; S301-Q303 PolarHBondContact O-N 3.42Å
302S47.5Very low73.5Confident113 Ų11399.3 Ų99.379%0.7956%0.558SS**  trans-65.484.9160.258.80000104.8P300 S304P300-S302 PolarHBondContact O-N 2.88Å; S302-S304 PolarHBondContact O-N 2.89Å
303Q45.1Very low72.7Confident169 Ų16994.7 Ų94.779%0.7955%0.548SS*.  trans-52.3101.3150.1-83.2-174.6-16.600103.2S301 T305S301-Q303 PolarHBondContact O-N 3.42Å; Q303-T305 PolarHBondContact O-N 2.67Å
304S42.3Very low72.1Confident96 Ų9693 Ų9367%0.67154%0.543SS*.  trans-54.499.5165.3179.80000103.2S302 I306S302-S304 PolarHBondContact O-N 2.89Å; S304-I306 PolarHBondContact O-N 3.41Å
305T47.6Very low71.5Confident123 Ų12395.7 Ų95.776%0.75556%0.557SS**  trans-65.176.3162-44.10000103.4Q303 P307Q303-T305 PolarHBondContact O-N 2.67Å; T305-P307 WeakPolarHBondContact O-CD 3.35Å
306I52.9Low70.9Confident101 Ų10194.2 Ų94.252%0.51855%0.554SS.*  trans-42.2120.7154.1-63.4175.9000102.3S304 I308 I311S304-I306 PolarHBondContact O-N 3.41Å; I306-I308 WeakPolarHBondContact O-CG1 3.16Å; I306-I308 PolarHBondContact O-N 2.97Å; I306-I311 HydrophobicContact CG2-CD1 3.97Å
307P55.8Low70.3Confident82 Ų8297.4 Ų97.453%0.53257%0.574SS.*  trans-71.881.3-171.728.5-32.9000106.4T305 V309 G310 I311T305-P307 WeakPolarHBondContact O-CD 3.35Å; P307-V309 PolarHBondContact O-N 2.7Å; P307-G310 WeakPolarHBondContact O-CA 3.25Å; P307-G310 PolarHBondContact O-N 2.75Å; P307-I311 PolarHBondContact O-N 3.5Å
308I60.8Low69.8Low120 Ų12095.7 Ų95.762%0.61558%0.575SS**Hα-helixtrans-55.5-35175.2-67.3168.2000107.2I306 G310 I311 V312I306-I308 WeakPolarHBondContact O-CG1 3.16Å; I306-I308 PolarHBondContact O-N 2.97Å; I308-G310 PolarHBondContact O-N 2.75Å; I308-I311 PolarHBondContact O-N 2.72Å; I308-V312 HydrophobicContact CG2-CG2 4.21Å; I308-V312 WeakPolarHBondContact O-CB 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.39Å; I308-V312 PolarHBondContact O-N 2.97Å
309V62.8Low69.3Low123 Ų12395.9 Ų95.975%0.74559%0.586SS**Hα-helixtrans-59.5-42.2171.1-176.90000112.5P307 A313P307-V309 PolarHBondContact O-N 2.7Å; V309-A313 WeakPolarHBondContact O-CB 3.49Å; V309-A313 PolarHBondContact O-N 2.97Å
310G67.4Low69.1Low43 Ų4393 Ų9344%0.44358%0.58SS.*Hα-helixtrans-68.9-38.9178.300000113P307 I308 G314P307-G310 WeakPolarHBondContact O-CA 3.25Å; P307-G310 PolarHBondContact O-N 2.75Å; I308-G310 PolarHBondContact O-N 2.75Å; G310-G314 PolarHBondContact O-N 3.33Å
311I74.4Confident69.4Low95 Ų9593.6 Ų93.649%0.48758%0.582SS.*Hα-helixtrans-68.9-44.1175.9-62.3173.6000110.5I306 P307 I308 G314 L315I306-I311 HydrophobicContact CG2-CD1 3.97Å; P307-I311 PolarHBondContact O-N 3.5Å; I308-I311 PolarHBondContact O-N 2.72Å; I311-G314 PolarHBondContact O-N 2.8Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.41Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.24Å
312V76.6Confident70.4Confident88 Ų8892.5 Ų92.553%0.53357%0.57SS.*Hα-helixtrans-65.1-43.41781720000111.2I308 L315 A316I308-V312 HydrophobicContact CG2-CG2 4.21Å; I308-V312 WeakPolarHBondContact O-CB 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.39Å; I308-V312 PolarHBondContact O-N 2.97Å; V312-L315 PolarHBondContact O-N 3.23Å; V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 2.81Å
313A77.2Confident72.1Confident53 Ų5392.3 Ų92.344%0.43856%0.56SS.*Hα-helixtrans-63-43.217500000111.7V309 A316 V317V309-A313 WeakPolarHBondContact O-CB 3.49Å; V309-A313 PolarHBondContact O-N 2.97Å; A313-A316 PolarHBondContact O-N 3.17Å; A313-V317 WeakPolarHBondContact O-CG2 3.49Å; A313-V317 PolarHBondContact O-N 3.34Å
314G82.9Confident73.9Confident36 Ų3686.2 Ų86.237%0.37154%0.542SS..Hα-helixtrans-60.9-44.4176.400000112.8G310 I311 V317 L318G310-G314 PolarHBondContact O-N 3.33Å; I311-G314 PolarHBondContact O-N 2.8Å; G314-V317 PolarHBondContact O-N 2.94Å; G314-L318 PolarHBondContact O-N 3.34Å
315L85.9Confident75.8Confident111 Ų11184.2 Ų84.258%0.58153%0.531SS*.Hα-helixtrans-66.4-38.6176.9-73.3171.6000112.5I311 V312 L318 A319I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.41Å; I311-L315 VanDerWaalsContact O-CG 3.32Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 3.24Å; V312-L315 PolarHBondContact O-N 3.23Å; L315-L318 PolarHBondContact O-N 3.05Å; L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 2.86Å
316A84.3Confident77.4Confident55 Ų5582.1 Ų82.146%0.45552%0.518SS..Hα-helixtrans-63.7-43.4176.300000111.8V312 A313 A319 V320V312-A316 WeakPolarHBondContact O-CB 3.49Å; V312-A316 PolarHBondContact O-N 2.81Å; A313-A316 PolarHBondContact O-N 3.17Å; A316-A319 PolarHBondContact O-N 3.39Å; A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 3.45Å; A316-V320 VanDerWaalsContact O-N 3.07Å
317V85.6Confident78.7Confident95 Ų9580.9 Ų80.958%0.57652%0.515SS*.Hα-helixtrans-63.7-44.5176.3174.10000110.9A313 G314 A319 V320 V321A313-V317 WeakPolarHBondContact O-CG2 3.49Å; A313-V317 PolarHBondContact O-N 3.34Å; G314-V317 PolarHBondContact O-N 2.94Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.28Å; V317-V320 PolarHBondContact O-N 2.96Å; V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.15Å; V317-V321 PolarHBondContact O-N 3.22Å
318L85.9Confident79.7Confident109 Ų10979.5 Ų79.557%0.57151%0.51SS*.Hα-helixtrans-58.9-44.3175.8-105.8156.1000112.1G314 L315 V320 V321 V322G314-L318 PolarHBondContact O-N 3.34Å; L315-L318 PolarHBondContact O-N 3.05Å; L318-V320 PolarHBondContact O-N 3.47Å; L318-V321 PolarHBondContact O-N 3.4Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.41Å; L318-V322 PolarHBondContact O-N 3.26Å
319A84.9Confident80.3Confident49 Ų4977.8 Ų77.841%0.40551%0.506SS..Hα-helixtrans-61-43.3177.200000111.9L315 A316 V317 V321 V322 I323L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 2.86Å; A316-A319 PolarHBondContact O-N 3.39Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.28Å; A319-V321 PolarHBondContact O-N 3.11Å; A319-V322 PolarHBondContact O-N 3.27Å; A319-I323 WeakPolarHBondContact O-CB 3.4Å; A319-I323 WeakPolarHBondContact O-CD1 3.49Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.45Å; A319-I323 PolarHBondContact O-N 3.15Å
320V86Confident80.8Confident104 Ų10475.7 Ų75.763%0.6349%0.493SS*.Hα-helixtrans-63.2-42.5177173.20000111.4A316 V317 L318 I323 G324A316-V320 WeakPolarHBondContact O-CG2 3.39Å; A316-V320 PolarHBondContact O-N 3.45Å; A316-V320 VanDerWaalsContact O-N 3.07Å; V317-V320 PolarHBondContact O-N 2.96Å; L318-V320 PolarHBondContact O-N 3.47Å; V320-I323 PolarHBondContact O-N 3.41Å; V320-G324 PolarHBondContact O-N 3.02Å
321V86.8Confident81.1Confident94 Ų9479.9 Ų79.957%0.5750%0.503SS*.Hα-helixtrans-63.7-44.3177.9172.30000111.3V317 L318 A319 G324 A325V317-V321 HydrophobicContact CG1-CG2 4.49Å; V317-V321 WeakPolarHBondContact O-CG2 3.15Å; V317-V321 PolarHBondContact O-N 3.22Å; L318-V321 PolarHBondContact O-N 3.4Å; A319-V321 PolarHBondContact O-N 3.11Å; V321-G324 PolarHBondContact O-N 3.16Å; V321-A325 WeakPolarHBondContact O-CB 3.35Å; V321-A325 PolarHBondContact O-N 3.21Å
322V84.8Confident80.6Confident83 Ų8379.6 Ų79.650%0.50351%0.508SS..Hα-helixtrans-63.9-45.2178.5172.80000110.8L318 A319 G324 A325 V326L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.41Å; L318-V322 PolarHBondContact O-N 3.26Å; A319-V322 PolarHBondContact O-N 3.27Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.31Å; V322-A325 PolarHBondContact O-N 2.87Å; V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.47Å; V322-V326 PolarHBondContact O-N 2.82Å
323I84.5Confident79.9Confident110 Ų11084.9 Ų84.956%0.56452%0.519SS*.Hα-helixtrans-61.1-44.6176.2-67.4165.5000110.3A319 V320 A325 V326 V327A319-I323 WeakPolarHBondContact O-CB 3.4Å; A319-I323 WeakPolarHBondContact O-CD1 3.49Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.45Å; A319-I323 PolarHBondContact O-N 3.15Å; V320-I323 PolarHBondContact O-N 3.41Å; I323-A325 PolarHBondContact O-N 3.4Å; I323-V326 PolarHBondContact O-N 3.41Å; I323-V327 HydrophobicContact CG2-CG2 4.37Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.37Å; I323-V327 PolarHBondContact O-N 2.98Å
324G82.9Confident78.9Confident40 Ų4092.4 Ų92.441%0.41254%0.535SS..Hα-helixtrans-58.9-44.1176.100000113V320 V321 V322 V327 A328V320-G324 PolarHBondContact O-N 3.02Å; V321-G324 PolarHBondContact O-N 3.16Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 3.31Å; G324-V327 PolarHBondContact O-N 2.98Å; G324-A328 WeakPolarHBondContact O-CB 3.11Å; G324-A328 PolarHBondContact O-N 3.2Å
325A81.4Confident77.5Confident54 Ų5499.9 Ų99.945%0.44656%0.558SS.*Hα-helixtrans-66.2-39.5177.500000112.6V321 V322 I323 A328 T329V321-A325 WeakPolarHBondContact O-CB 3.35Å; V321-A325 PolarHBondContact O-N 3.21Å; V322-A325 PolarHBondContact O-N 2.87Å; I323-A325 PolarHBondContact O-N 3.4Å; A325-A328 PolarHBondContact O-N 3.25Å; A325-T329 WeakPolarHBondContact O-CB 3.38Å; A325-T329 WeakPolarHBondContact O-CG2 3.14Å; A325-T329 PolarHBondContact O-N 3.23Å; A325-T329 PolarHBondContact O-OG1 3.03Å
326V81.9Confident75.9Confident79 Ų7999 Ų9948%0.47956%0.561SS.*Hα-helixtrans-65.3-44.1175.3172.50000110.8V322 I323 T329 V330V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.47Å; V322-V326 PolarHBondContact O-N 2.82Å; I323-V326 PolarHBondContact O-N 3.41Å; V326-T329 WeakPolarHBondContact CA-OG1 3.19Å; V326-T329 PolarHBondContact O-N 3Å; V326-T329 PolarHBondContact O-OG1 3.33Å; V326-V330 HydrophobicContact CG1-CG2 4.42Å; V326-V330 WeakPolarHBondContact O-CB 3.13Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.22Å; V326-V330 PolarHBondContact O-N 3.03Å
327V80.4Confident74.3Confident76 Ų76101.2 Ų101.246%0.46157%0.573SS.*Hα-helixtrans-63.3-44.8176.9172.60000110.9I323 G324 T329 V330 M331I323-V327 HydrophobicContact CG2-CG2 4.37Å; I323-V327 VanDerWaalsContact O-CG2 3.3Å; I323-V327 WeakPolarHBondContact O-CG2 3.37Å; I323-V327 PolarHBondContact O-N 2.98Å; G324-V327 PolarHBondContact O-N 2.98Å; V327-T329 PolarHBondContact O-N 3.3Å; V327-V330 PolarHBondContact O-N 2.82Å; V327-M331 HydrophobicContact CG1-CG 4.45Å; V327-M331 HydrophobicContact CG1-SD 4.13Å; V327-M331 WeakPolarHBondContact O-CB 3.3Å; V327-M331 WeakPolarHBondContact O-CG 3.37Å; V327-M331 PolarHBondContact O-N 2.72Å
328A75.5Confident72.3Confident52 Ų52100.2 Ų100.243%0.4358%0.582SS.*Hα-helixtrans-61.2-44.8177.300000112.3G324 A325 M331 C332G324-A328 WeakPolarHBondContact O-CB 3.11Å; G324-A328 PolarHBondContact O-N 3.2Å; A325-A328 PolarHBondContact O-N 3.25Å; A328-M331 PolarHBondContact O-N 3.17Å; A328-C332 WeakPolarHBondContact O-CB 3.49Å; A328-C332 PolarHBondContact O-N 2.74Å; A328-C332 PolarHBondContact O-SG 3.24Å
329T73.7Confident70Confident84 Ų8498.4 Ų98.452%0.51559%0.59SS.*Hα-helixtrans-66.4-38.8177.846.20000112.6A325 V326 V327 C332 R333A325-T329 WeakPolarHBondContact O-CB 3.38Å; A325-T329 WeakPolarHBondContact O-CG2 3.14Å; A325-T329 PolarHBondContact O-N 3.23Å; A325-T329 PolarHBondContact O-OG1 3.03Å; V326-T329 WeakPolarHBondContact CA-OG1 3.19Å; V326-T329 PolarHBondContact O-N 3Å; V326-T329 PolarHBondContact O-OG1 3.33Å; V327-T329 PolarHBondContact O-N 3.3Å; T329-C332 PolarHBondContact O-N 3.26Å; T329-R333 WeakPolarHBondContact O-CB 3.37Å; T329-R333 PolarHBondContact O-N 2.99Å
330V73.8Confident67.6Low80 Ų80106.6 Ų106.649%0.48562%0.616SS.*Hα-helixtrans-66-41.1174.21710000111.4V326 V327 R333 R334V326-V330 HydrophobicContact CG1-CG2 4.42Å; V326-V330 WeakPolarHBondContact O-CB 3.13Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.22Å; V326-V330 PolarHBondContact O-N 3.03Å; V327-V330 PolarHBondContact O-N 2.82Å; V330-R333 PolarHBondContact O-N 3.42Å; V330-R334 WeakPolarHBondContact O-CB 3.39Å; V330-R334 PolarHBondContact O-N 2.88Å
331M72.6Confident65.2Low131 Ų131105.1 Ų105.165%0.64562%0.623SS**Hα-helixtrans-66-41.2175.7-74.3-174.469.200112.3V327 A328 R334 K335V327-M331 HydrophobicContact CG1-CG 4.45Å; V327-M331 HydrophobicContact CG1-SD 4.13Å; V327-M331 WeakPolarHBondContact O-CB 3.3Å; V327-M331 WeakPolarHBondContact O-CG 3.37Å; V327-M331 PolarHBondContact O-N 2.72Å; A328-M331 PolarHBondContact O-N 3.17Å; M331-R334 PolarHBondContact O-N 2.74Å; M331-K335 PolarHBondContact O-N 3.13Å
332C64.8Low62.7Low89 Ų89104.7 Ų104.760%0.60164%0.637SS**Hα-helixtrans-61.4-43173-78.70000111.7A328 T329 K335 S336A328-C332 WeakPolarHBondContact O-CB 3.49Å; A328-C332 PolarHBondContact O-N 2.74Å; A328-C332 PolarHBondContact O-SG 3.24Å; T329-C332 PolarHBondContact O-N 3.26Å; C332-K335 PolarHBondContact O-N 3.13Å; C332-S336 PolarHBondContact O-N 3.03Å; C332-S336 PolarHBondContact O-OG 2.93Å
333R62.6Low60.3Low199 Ų199106.7 Ų106.775%0.75165%0.654SS**Hα-helixtrans-66.4-37176.6-82.9-175.4145.7167.9-4.7113.3T329 V330 K335 S336 S337T329-R333 WeakPolarHBondContact O-CB 3.37Å; T329-R333 PolarHBondContact O-N 2.99Å; V330-R333 PolarHBondContact O-N 3.42Å; R333-K335 VanDerWaalsContact C-N 3.28Å; R333-K335 PolarHBondContact O-N 2.91Å; R333-S336 PolarHBondContact O-N 3.16Å; R333-S336 PolarHBondContact O-OG 2.91Å; R333-S336 VanDerWaalsContact O-OG 3.08Å; R333-S337 PolarHBondContact O-N 3.1Å
334R56.6Low57.9Low210 Ų210111.7 Ų111.779%0.79267%0.668SS**Hα-helixtrans-66.8-28.8173.4-103.3-176.4167.3179.3-2.8112.8V330 M331V330-R334 WeakPolarHBondContact O-CB 3.39Å; V330-R334 PolarHBondContact O-N 2.88Å; M331-R334 PolarHBondContact O-N 2.74Å
335K52.1Low55.6Low193 Ų193115.4 Ų115.484%0.83969%0.687SS**Hα-helixtrans-79.4-21.4177.4-160.2170.7-179.6179.40113.1M331 C332 R333M331-K335 PolarHBondContact O-N 3.13Å; C332-K335 PolarHBondContact O-N 3.13Å; R333-K335 VanDerWaalsContact C-N 3.28Å; R333-K335 PolarHBondContact O-N 2.91Å
336S52.7Low53.5Low94 Ų94121.7 Ų121.766%0.65771%0.708SS**Hα-helixtrans-95.8-7.7179.455.50000115.4C332 R333C332-S336 PolarHBondContact O-N 3.03Å; C332-S336 PolarHBondContact O-OG 2.93Å; R333-S336 PolarHBondContact O-N 3.16Å; R333-S336 PolarHBondContact O-OG 2.91Å; R333-S336 VanDerWaalsContact O-OG 3.08Å
337S50.2Low51.2Low100 Ų100122.4 Ų122.470%0.69972%0.722SS**SBendtrans-101.440.4-17983.90000113.8R333R333-S337 PolarHBondContact O-N 3.1Å
338G45.1Very low49.1Very low75 Ų75123.3 Ų123.377%0.77374%0.737SS**  trans-130.378.2176.300000112.4
339G37.1Very low47.1Very low71 Ų71126.3 Ų126.373%0.73276%0.755SS**  trans141.8113.7154.400000118.3
340K35Very low45.4Very low220 Ų220127.9 Ų127.996%0.95777%0.769SS**  trans63139.8150-81.3162.6170.8168.90117.7
341G34.7Very low43.6Very low74 Ų74131.3 Ų131.376%0.76379%0.785SS**  cis143.3127.622.200000105.5
342G35.3Very low42.2Very low84 Ų84130.2 Ų130.287%0.86679%0.79SS**  trans-76.5170.9-164.600000116.5
343S32.8Very low41Very low125 Ų125130.3 Ų130.387%0.87480%0.798SS**  trans-167.3149.7140.6-168.10000111.5
344Y34.8Very low40Very low216 Ų216130.1 Ų130.185%0.84781%0.805SS**  trans-75.7153-176.1-88.8-106.7000114.5
345S35.1Very low39Very low117 Ų117123.3 Ų123.382%0.81880%0.8SS**  179.7108117.528.40000114.5
346Q36Very low38.5Very low187 Ų187119.4 Ų119.487%0.87480%0.797SS**  44.1112.2125.9-145.7161.33.300124.7
347A35.1Very low38Very low94 Ų94121.9 Ų121.978%0.77780%0.803SS**  56.5127.5127.300000125.5
348A34.6Very low37.5Very low95 Ų95122.5 Ų122.579%0.78580%0.802SS**  -171.5111.4121.100000108.6
349S34.9Very low37.5Very low115 Ų115123.4 Ų123.480%0.80480%0.797SS**  68.410592.5179.50000115.4
350S37.2Very low37.7Very low117 Ų117127.1 Ų127.182%0.81880%0.799SS**  178138.1118.734.50000112.9
351D36.7Very low37.9Very low152 Ų152123.1 Ų123.181%0.81379%0.793SS**  trans-50.6159.9173.6-67.4-58.8000113.1
352S43.4Very low38.3Very low107 Ų107127.4 Ų127.475%0.74882%0.821SS**  178.8146.962.2-44.60000110.5
353A38.8Very low38.5Very low92 Ų92129.6 Ų129.676%0.7682%0.819SS**  trans63.3144.5142.600000117.8
354Q40.8Very low38.8Very low195 Ų195129.8 Ų129.891%0.91182%0.816SS**  cis-174.7154.56.4-131.7171.4-17.200105.3
355G36.8Very low39Very low67 Ų67125 Ų12569%0.69181%0.814SS**  trans115.482.2152.300000116.9
356S41.8Very low39.2Very low110 Ų110125.5 Ų125.577%0.76981%0.814SS**  -3.1154.5122.9-4.20000116.9
357D42.5Very low39.4Very low146 Ų146121.6 Ų121.678%0.78181%0.811SS**  cis-176.3162.52.7-126.8-26.2000107.5
358V39.9Very low39.7Very low113 Ų113123.5 Ų123.569%0.68581%0.813SS**  trans77.2103.5139.2171.70000120.8
359S43.2Very low40.1Very low94 Ų94125.5 Ų125.566%0.65782%0.815SS**  75.2121.7111.5-480000124
360L41.7Very low40.5Very low150 Ų150126.3 Ų126.379%0.78582%0.816SS**  53.7127.5122.8-77.7150.8000121.7
361T38.8Very low40.7Very low135 Ų135127.1 Ų127.183%0.82882%0.815SS**  -174.6124.3118.518.30000106
362A44.5Very low41.1Very low164 Ų164124.8 Ų124.8100%1.35582%0.816SS**  57.4062.800000112.5

Retrieved 362 of 362 residues in 146.4 ms (Link to these results)

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