A0A3Q0KNI7_SCHMA Loading...

Origin recognition complex subunit 3

AlphaFold DB , UniProt , Accession A0A3Q0KNI7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 665 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M35.2Very low60Low123 Ų12365.8 Ų65.861%0.60635%0.351SS*.  010.80-90.6-160.8-171.100117.7R135 V291M1-R135 PolarHBondContact O-NH2 3.44Å; M1-V291 HydrophobicContact CG-CG1 4.39Å
2R42.7Very low61.8Low129 Ų12965.4 Ų65.449%0.48734%0.344SS..  trans-13299.7-168.6-62.7174.3179165.3-8.1118.9D360R2-D360 IonicContact NH1-OD1 3.86Å; R2-D360 PolarHBondContact NH1-OD1 2.93Å
3S48.6Very low63.6Low81 Ų8161.3 Ų61.357%0.56632%0.323SS*.SBendtrans-167.2-83.5163.4178.80000112K7S3-K7 WeakPolarHBondContact O-CB 3.12Å; S3-K7 PolarHBondContact O-N 3.08Å; S3-K7 VanDerWaalsContact O-N 3.12Å
4S51.4Low64.9Low32 Ų3268.4 Ų68.422%0.22435%0.353CS..Hα-helixtrans-70.4-61.6-167.556.60000114.4V6 K7 D8S4-V6 VanDerWaalsContact C-N 3.3Å; S4-V6 PolarHBondContact O-N 3.06Å; S4-K7 WeakPolarHBondContact O-CA 3.21Å; S4-K7 WeakPolarHBondContact O-CB 3.36Å; S4-K7 PolarHBondContact O-N 3.16Å; S4-D8 PolarHBondContact O-N 3.02Å
5V55.8Low66Low15 Ų1568.5 Ų68.59%0.09138%0.378CS..Hα-helixtrans-59.5-41.5-174.3-176.30000112.1K7 D8 L9 F29V5-K7 VanDerWaalsContact C-N 3.34Å; V5-D8 PolarHBondContact O-N 2.81Å; V5-L9 WeakPolarHBondContact O-CA 3.39Å; V5-L9 WeakPolarHBondContact O-CB 3.46Å; V5-L9 PolarHBondContact O-N 3.48Å; V5-F29 HydrophobicContact CG1-CE1 4.36Å
6V61.1Low67.2Low15 Ų1568 Ų689%0.09137%0.371CS..Hα-helixtrans-67-39.4177.7175.30000110.1S4 L9 L10 C32S4-V6 VanDerWaalsContact C-N 3.3Å; S4-V6 PolarHBondContact O-N 3.06Å; V6-L9 PolarHBondContact O-N 2.87Å; V6-L10 HydrophobicContact CG1-CD1 3.76Å; V6-L10 HydrophobicContact CG1-CG 4.1Å; V6-L10 VanDerWaalsContact O-CB 3.23Å; V6-L10 WeakPolarHBondContact O-CB 3.1Å; V6-L10 WeakPolarHBondContact O-CD1 3.2Å; V6-L10 WeakPolarHBondContact O-CG 3.3Å; V6-L10 PolarHBondContact O-N 3.03Å; V6-C32 VanDerWaalsContact CG1-SG 3.57Å; V6-C32 HydrophobicContact CG2-CB 4.38Å; V6-C32 WeakPolarHBondContact CG2-SG 3.43Å
7K65.1Low68.2Low152 Ų15269.4 Ų69.466%0.66138%0.377SS*.Hα-helixtrans-66.8-44.7177.3-173.1-178-179.4-174.50111.9S3 S4 V5 L9 L10 G11S3-K7 WeakPolarHBondContact O-CB 3.12Å; S3-K7 PolarHBondContact O-N 3.08Å; S3-K7 VanDerWaalsContact O-N 3.12Å; S4-K7 WeakPolarHBondContact O-CA 3.21Å; S4-K7 WeakPolarHBondContact O-CB 3.36Å; S4-K7 PolarHBondContact O-N 3.16Å; V5-K7 VanDerWaalsContact C-N 3.34Å; K7-L9 VanDerWaalsContact C-N 3.33Å; K7-L10 PolarHBondContact O-N 3.22Å; K7-G11 PolarHBondContact O-N 3.11Å
8D68.2Low69.3Low83 Ų8366.8 Ų66.844%0.44436%0.362SS..Hα-helixtrans-64-42.4176.1-66.8-15.7000110.6S4 V5 G11 K12S4-D8 PolarHBondContact O-N 3.02Å; V5-D8 PolarHBondContact O-N 2.81Å; D8-G11 PolarHBondContact O-N 2.93Å; D8-K12 WeakPolarHBondContact O-CG 3.44Å; D8-K12 PolarHBondContact O-N 2.79Å
9L76.2Confident70.5Confident3 Ų363.4 Ų63.42%0.01634%0.343CS..Hα-helixtrans-61.7-50174.8-175.568.1000110.7V5 V6 K7 G11 K12 L13 F29 L33 I59 L88 I130V5-L9 WeakPolarHBondContact O-CA 3.39Å; V5-L9 WeakPolarHBondContact O-CB 3.46Å; V5-L9 PolarHBondContact O-N 3.48Å; V6-L9 PolarHBondContact O-N 2.87Å; K7-L9 VanDerWaalsContact C-N 3.33Å; L9-G11 VanDerWaalsContact C-N 3.3Å; L9-G11 PolarHBondContact O-N 3.21Å; L9-K12 CarbonylContact O-C 3.57Å; L9-K12 WeakPolarHBondContact O-CA 3.31Å; L9-K12 PolarHBondContact O-N 3.05Å; L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 HydrophobicContact CG-CG 4.31Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.36Å; L9-F29 HydrophobicContact CD2-CD1 4.38Å; L9-F29 HydrophobicContact CD2-CG 4.43Å; L9-L33 HydrophobicContact CD2-CD2 3.81Å; L9-L33 HydrophobicContact CD2-CG 4.49Å; L9-L33 HydrophobicContact CG-CD2 4.43Å; L9-I59 HydrophobicContact CD1-CD1 3.65Å; L9-I59 HydrophobicContact CD1-CG1 4.26Å; L9-I59 HydrophobicContact CD2-CD1 3.89Å; L9-I59 HydrophobicContact CG-CD1 4.14Å; L9-L88 HydrophobicContact CD1-CD1 3.91Å; L9-I130 HydrophobicContact CD1-CD1 3.42Å; L9-I130 VanDerWaalsContact CD1-CD1 3.42Å
10L77Confident71.6Confident51 Ų5160.3 Ų60.327%0.26733%0.326SS..Hα-helixtrans-58.1-41.8177.8-74.8169.3000111.7V6 K7 K12 L13 E14 L33 V38V6-L10 HydrophobicContact CG1-CD1 3.76Å; V6-L10 HydrophobicContact CG1-CG 4.1Å; V6-L10 VanDerWaalsContact O-CB 3.23Å; V6-L10 WeakPolarHBondContact O-CB 3.1Å; V6-L10 WeakPolarHBondContact O-CD1 3.2Å; V6-L10 WeakPolarHBondContact O-CG 3.3Å; V6-L10 PolarHBondContact O-N 3.03Å; K7-L10 PolarHBondContact O-N 3.22Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3Å; L10-L13 VanDerWaalsContact O-N 3.14Å; L10-E14 PolarHBondContact O-N 3.04Å; L10-L33 HydrophobicContact CD2-CD2 4.37Å; L10-V38 HydrophobicContact CD2-CG2 3.7Å
11G78.9Confident72.6Confident40 Ų4057.4 Ų57.441%0.41231%0.311SS..Hα-helixtrans-60.2-39.117400000112.6K7 D8 L9 L13 E14K7-G11 PolarHBondContact O-N 3.11Å; D8-G11 PolarHBondContact O-N 2.93Å; L9-G11 VanDerWaalsContact C-N 3.3Å; L9-G11 PolarHBondContact O-N 3.21Å; G11-L13 VanDerWaalsContact C-N 3.34Å; G11-E14 PolarHBondContact O-N 2.83Å
12K82Confident75.2Confident61 Ų6151.9 Ų51.927%0.26528%0.283SS..Hα-helixtrans-76.3-19.1175.5-67-173.2-173-1660114.1D8 L9 L10 E14 L88 E128 I130D8-K12 WeakPolarHBondContact O-CG 3.44Å; D8-K12 PolarHBondContact O-N 2.79Å; L9-K12 CarbonylContact O-C 3.57Å; L9-K12 WeakPolarHBondContact O-CA 3.31Å; L9-K12 PolarHBondContact O-N 3.05Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 3.08Å; K12-E14 VanDerWaalsContact C-N 3.31Å; K12-L88 HydrophobicContact CB-CD1 4.21Å; K12-L88 HydrophobicContact CD-CD2 3.98Å; K12-E128 WeakPolarHBondContact CE-OE1 3.32Å; K12-E128 IonicContact NZ-OE1 3.21Å; K12-E128 PolarHBondContact NZ-OE1 3.08Å; K12-I130 HydrophobicContact CD-CD1 4.13Å; K12-I130 HydrophobicContact CD-CG1 4.21Å
13L85.3Confident77.3Confident12 Ų1248.3 Ų48.36%0.06328%0.278CS..Hα-helixtrans-83.1-9.2176-68.8177.5000112.5L9 L10 G11 G15 F16 V19 L33 V38 I57 I59 L88L9-L13 HydrophobicContact CG-CD1 4.01Å; L9-L13 HydrophobicContact CG-CG 4.31Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.36Å; L10-L13 PolarHBondContact O-N 3Å; L10-L13 VanDerWaalsContact O-N 3.14Å; G11-L13 VanDerWaalsContact C-N 3.34Å; L13-G15 PolarHBondContact O-N 3.2Å; L13-F16 PolarHBondContact O-N 2.96Å; L13-F16 VanDerWaalsContact O-N 3.08Å; L13-V19 HydrophobicContact CD1-CG2 4.18Å; L13-V19 HydrophobicContact CD2-CG1 4.21Å; L13-V19 HydrophobicContact CD2-CG2 3.74Å; L13-L33 HydrophobicContact CD1-CD2 3.46Å; L13-L33 VanDerWaalsContact CD1-CD2 3.46Å; L13-V38 HydrophobicContact CD1-CG2 4.34Å; L13-I57 HydrophobicContact CD2-CD1 4.4Å; L13-I57 HydrophobicContact CD2-CG2 3.46Å; L13-I57 VanDerWaalsContact CD2-CG2 3.46Å; L13-I59 HydrophobicContact CD2-CD1 4.37Å; L13-L88 HydrophobicContact CD2-CD1 4.25Å
14E81.4Confident78.8Confident161 Ų16147 Ų4775%0.75227%0.267SS*.THydrogen-bonded Turntrans-57.6124.3174.1-70.6-172.4174.700110.7L10 G11 K12L10-E14 PolarHBondContact O-N 3.04Å; G11-E14 PolarHBondContact O-N 2.83Å; K12-E14 VanDerWaalsContact C-N 3.31Å
15G81Confident80.3Confident70 Ų7045.5 Ų45.572%0.72226%0.256SS*.THydrogen-bonded Turntrans92.2-1.8-17800000115.6L13 P55L13-G15 PolarHBondContact O-N 3.2Å; G15-P55 WeakPolarHBondContact O-CB 3.12Å; G15-P55 WeakPolarHBondContact O-CG 3.46Å
16F85.4Confident81.7Confident60 Ų6047.5 Ų47.526%0.26326%0.264SS..  trans-103128.9173.2-64.4-85.3000111.5L13 P55 I57 L86L13-F16 PolarHBondContact O-N 2.96Å; L13-F16 VanDerWaalsContact O-N 3.08Å; F16-P55 HydrophobicContact CD1-CB 4.24Å; F16-I57 HydrophobicContact CB-CB 4.41Å; F16-I57 HydrophobicContact CB-CG2 4Å; F16-I57 HydrophobicContact CD1-CB 3.64Å; F16-I57 HydrophobicContact CD1-CD1 4.36Å; F16-I57 HydrophobicContact CD1-CG2 4.19Å; F16-I57 HydrophobicContact CD2-CB 4.39Å; F16-I57 HydrophobicContact CD2-CD1 3.89Å; F16-I57 HydrophobicContact CD2-CG2 4.47Å; F16-I57 HydrophobicContact CE1-CB 3.92Å; F16-I57 HydrophobicContact CE1-CD1 4.12Å; F16-I57 HydrophobicContact CE1-CG1 4.37Å; F16-I57 HydrophobicContact CE2-CD1 3.65Å; F16-I57 HydrophobicContact CG-CB 3.89Å; F16-I57 HydrophobicContact CG-CD1 4.24Å; F16-I57 HydrophobicContact CG-CG2 3.96Å; F16-I57 HydrophobicContact CZ-CB 4.43Å; F16-I57 HydrophobicContact CZ-CD1 3.77Å; F16-I57 HydrophobicContact CZ-CG1 4.47Å; F16-L86 HydrophobicContact CE2-CD2 4.32Å; F16-L86 HydrophobicContact CZ-CD2 3.82Å
17D83.8Confident82.5Confident91 Ų9154.3 Ų54.349%0.48729%0.294SS..SBendtrans-86.1-22.5180-71.4-36.6000112N40 P55D17-N40 WeakPolarHBondContact O-CB 3.5Å; D17-N40 PolarHBondContact O-ND2 2.95Å; D17-P55 HydrophobicContact CB-CG 4.07Å; D17-P55 PolarHBondContact N-O 2.62Å; D17-P55 WeakPolarHBondContact OD2-CD 3.02Å; D17-P55 VanDerWaalsContact OD2-CG 3.3Å; D17-P55 WeakPolarHBondContact OD2-CG 3.31Å
18Y88.5Confident82.8Confident24 Ų2451.9 Ų51.99%0.09428%0.284CS..EExtended strand (participates in β ladder)trans-136131.6-174.6-61.9-98000111.1N40 F42 E49 L51 K54 P55 F56 I57Y18-N40 HydrophobicContact CD1-CB 3.87Å; Y18-N40 HydrophobicContact CE1-CB 4.15Å; Y18-N40 HydrophobicContact CG-CB 4.34Å; Y18-F42 HydrophobicContact CD1-CD2 4.24Å; Y18-F42 AromaticContact CD1-CE2 3.65Å; Y18-F42 HydrophobicContact CD1-CE2 3.65Å; Y18-F42 HydrophobicContact CE1-CE2 4.12Å; Y18-E49 WeakPolarHBondContact CE1-OE2 3.24Å; Y18-E49 PolarHBondContact OH-OE2 3.12Å; Y18-L51 HydrophobicContact CD1-CD2 3.65Å; Y18-L51 HydrophobicContact CD2-CD2 4.02Å; Y18-L51 HydrophobicContact CE1-CD2 4.17Å; Y18-L51 HydrophobicContact CG-CD2 3.62Å; Y18-K54 HydrophobicContact CD2-CB 3.92Å; Y18-K54 HydrophobicContact CD2-CD 4.25Å; Y18-K54 HydrophobicContact CD2-CG 4.44Å; Y18-K54 HydrophobicContact CE2-CB 3.75Å; Y18-K54 HydrophobicContact CE2-CD 3.45Å; Y18-K54 VanDerWaalsContact CE2-CD 3.45Å; Y18-K54 HydrophobicContact CE2-CG 3.77Å; Y18-K54 WeakPolarHBondContact OH-CE 3.25Å; Y18-K54 PolarHBondContact OH-NZ 3Å; Y18-P55 PolarHBondContact N-O 2.82Å; Y18-F56 CarbonylContact O-C 3.58Å; Y18-F56 VanDerWaalsContact O-CA 3.24Å; Y18-F56 WeakPolarHBondContact O-CA 3.41Å; Y18-I57 PolarHBondContact O-N 2.79Å
19V91.2Very high83.4Confident1 Ų149.2 Ų49.21%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-116.8117.1178.4-173.50000109.4L13 L21 L33 V38 N40 V41 F42 I57 I59L13-V19 HydrophobicContact CD1-CG2 4.18Å; L13-V19 HydrophobicContact CD2-CG1 4.21Å; L13-V19 HydrophobicContact CD2-CG2 3.74Å; V19-L21 HydrophobicContact CG1-CD2 3.69Å; V19-L21 HydrophobicContact CG1-CG 4.46Å; V19-L33 HydrophobicContact CG1-CD1 4.1Å; V19-V38 HydrophobicContact CB-CG1 4.48Å; V19-V38 HydrophobicContact CG2-CG1 3.72Å; V19-N40 PolarHBondContact N-O 3.48Å; V19-V41 WeakPolarHBondContact O-CA 3.47Å; V19-F42 PolarHBondContact O-N 3.46Å; V19-I57 HydrophobicContact CB-CG2 4.46Å; V19-I57 HydrophobicContact CG1-CG2 4.31Å; V19-I57 HydrophobicContact CG2-CG2 4.11Å; V19-I59 HydrophobicContact CG1-CD1 3.5Å; V19-I59 HydrophobicContact CG1-CG1 4.03Å
20I92.8Very high83.7Confident2 Ų249.9 Ų49.91%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-106.8118.3-176.2-51.7177.7000108.4F42 I44 V47 L51 F56 I57 F58 I59 V75I20-F42 CarbonylContact C-O 3.15Å; I20-F42 WeakPolarHBondContact CA-O 3.33Å; I20-I44 HydrophobicContact CG2-CB 3.97Å; I20-I44 HydrophobicContact CG2-CG1 4Å; I20-V47 HydrophobicContact CD1-CG2 4.28Å; I20-V47 HydrophobicContact CG1-CG2 4.43Å; I20-V47 HydrophobicContact CG2-CG2 3.79Å; I20-L51 HydrophobicContact CD1-CD1 3.57Å; I20-F56 HydrophobicContact CD1-CB 4.32Å; I20-F56 HydrophobicContact CD1-CD2 3.73Å; I20-F56 HydrophobicContact CD1-CE2 4.44Å; I20-F56 HydrophobicContact CD1-CG 4.27Å; I20-I57 PolarHBondContact N-O 3.43Å; I20-F58 HydrophobicContact CB-CD1 3.81Å; I20-F58 HydrophobicContact CB-CE1 4.06Å; I20-F58 HydrophobicContact CD1-CD1 4.45Å; I20-F58 HydrophobicContact CD1-CE1 3.95Å; I20-F58 HydrophobicContact CD1-CZ 4.28Å; I20-F58 HydrophobicContact CG2-CD1 3.82Å; I20-F58 HydrophobicContact CG2-CE1 3.84Å; I20-F58 CarbonylContact O-C 3.6Å; I20-F58 VanDerWaalsContact O-CA 3.32Å; I20-F58 WeakPolarHBondContact O-CA 3.23Å; I20-I59 PolarHBondContact O-N 3.34Å; I20-V75 HydrophobicContact CD1-CG1 3.62Å
21L92.4Very high83.5Confident0 Ų050.8 Ų50.80%028%0.284CS..EExtended strand (participates in β ladder)trans-107.9131.2-174-52.7-176.9000110.2V19 A25 F26 F29 L33 V41 F42 P43 I44 I59V19-L21 HydrophobicContact CG1-CD2 3.69Å; V19-L21 HydrophobicContact CG1-CG 4.46Å; L21-A25 HydrophobicContact CB-CB 4.17Å; L21-F26 HydrophobicContact CB-CB 3.86Å; L21-F26 HydrophobicContact CB-CD2 4.12Å; L21-F26 HydrophobicContact CD1-CB 4.33Å; L21-F26 HydrophobicContact CD1-CD2 3.92Å; L21-F26 HydrophobicContact CD1-CG 4.5Å; L21-F26 HydrophobicContact CG-CD2 4.45Å; L21-F29 HydrophobicContact CD1-CB 4.48Å; L21-L33 HydrophobicContact CD1-CD1 4.15Å; L21-L33 HydrophobicContact CD2-CD1 4.06Å; L21-V41 HydrophobicContact CD1-CG1 3.39Å; L21-V41 HydrophobicContact CG-CG1 3.93Å; L21-F42 PolarHBondContact N-O 3.01Å; L21-P43 CarbonylContact O-C 3.56Å; L21-P43 WeakPolarHBondContact O-CA 3.41Å; L21-I44 PolarHBondContact O-N 3.01Å; L21-I59 HydrophobicContact CD2-CB 3.61Å; L21-I59 HydrophobicContact CD2-CD1 3.61Å; L21-I59 HydrophobicContact CD2-CG1 3.95Å; L21-I59 HydrophobicContact CD2-CG2 4.36Å
22E90.8Very high83.1Confident6 Ų649.4 Ų49.43%0.02827%0.268CS..  trans-64.8162.2164116.6-107115.500111V24 A25 F26 I44 I59 V60 S61 S62 L68E22-V24 VanDerWaalsContact C-N 3.31Å; E22-V24 PolarHBondContact O-N 3.22Å; E22-V24 VanDerWaalsContact O-N 3.13Å; E22-V24 WeakPolarHBondContact OE1-CB 3.44Å; E22-A25 CarbonylContact O-C 3.58Å; E22-A25 PolarHBondContact O-N 3.04Å; E22-A25 VanDerWaalsContact O-N 3.08Å; E22-A25 VanDerWaalsContact OE1-CB 3.27Å; E22-A25 WeakPolarHBondContact OE1-CB 3.35Å; E22-A25 PolarHBondContact OE1-N 3.33Å; E22-F26 WeakPolarHBondContact O-CB 3.49Å; E22-F26 PolarHBondContact O-N 3.45Å; E22-I44 HydrophobicContact CB-CG2 4.46Å; E22-I59 PolarHBondContact N-O 3.13Å; E22-V60 VanDerWaalsContact OE2-C 3.26Å; E22-V60 WeakPolarHBondContact OE2-CA 3.23Å; E22-V60 WeakPolarHBondContact OE2-CB 3.3Å; E22-V60 WeakPolarHBondContact OE2-CG1 3.39Å; E22-S61 WeakPolarHBondContact OE1-CA 3.36Å; E22-S61 VanDerWaalsContact OE1-CB 3.29Å; E22-S61 WeakPolarHBondContact OE1-CB 3.39Å; E22-S61 PolarHBondContact OE1-N 2.78Å; E22-S61 PolarHBondContact OE2-N 3.24Å; E22-S62 VanDerWaalsContact CD-OG 3.22Å; E22-S62 WeakPolarHBondContact CG-OG 3.32Å; E22-S62 PolarHBondContact OE1-N 3.36Å; E22-S62 PolarHBondContact OE2-N 2.97Å; E22-S62 PolarHBondContact OE2-OG 3.31Å; E22-L68 HydrophobicContact CB-CD1 3.81Å; E22-L68 HydrophobicContact CG-CD1 4.28Å
23S86.4Confident83.1Confident54 Ų5446.5 Ų46.538%0.37826%0.255SS..Hα-helixtrans-45.5-47-178.3-50.30000115F26 E27 Y45S23-F26 WeakPolarHBondContact O-CB 3.15Å; S23-F26 PolarHBondContact O-N 2.67Å; S23-E27 PolarHBondContact O-N 3.44Å; S23-E27 VanDerWaalsContact O-N 3.11Å; S23-Y45 WeakPolarHBondContact OG-CE1 3.46Å
24V79.3Confident82.8Confident54 Ų5450.4 Ų50.433%0.32728%0.276SS..Hα-helixtrans-70.5-45.3-179.8179.20000111.3E22 F26 E27 K28E22-V24 VanDerWaalsContact C-N 3.31Å; E22-V24 PolarHBondContact O-N 3.22Å; E22-V24 VanDerWaalsContact O-N 3.13Å; E22-V24 WeakPolarHBondContact OE1-CB 3.44Å; V24-F26 PolarHBondContact O-N 3.48Å; V24-E27 PolarHBondContact O-N 3.3Å; V24-K28 HydrophobicContact CG1-CD 4.07Å; V24-K28 WeakPolarHBondContact O-CB 3.27Å; V24-K28 VanDerWaalsContact O-CG 3.3Å; V24-K28 WeakPolarHBondContact O-CG 3.46Å; V24-K28 PolarHBondContact O-N 2.94Å
25A84.1Confident82.4Confident0 Ų047.1 Ų47.10%027%0.27CS..Hα-helixtrans-60.4-34.5172.800000112.2L21 E22 K28 F29 I59L21-A25 HydrophobicContact CB-CB 4.17Å; E22-A25 CarbonylContact O-C 3.58Å; E22-A25 PolarHBondContact O-N 3.04Å; E22-A25 VanDerWaalsContact O-N 3.08Å; E22-A25 VanDerWaalsContact OE1-CB 3.27Å; E22-A25 WeakPolarHBondContact OE1-CB 3.35Å; E22-A25 PolarHBondContact OE1-N 3.33Å; A25-K28 PolarHBondContact O-N 3.38Å; A25-F29 HydrophobicContact CB-CD2 4.06Å; A25-F29 HydrophobicContact CB-CE2 4.47Å; A25-F29 WeakPolarHBondContact O-CB 3.42Å; A25-F29 WeakPolarHBondContact O-CD2 3.49Å; A25-F29 PolarHBondContact O-N 2.98Å; A25-I59 HydrophobicContact CB-CG2 4.07Å; A25-I59 WeakPolarHBondContact CB-O 3.34Å
26F85.5Confident82Confident57 Ų5746.5 Ų46.525%0.2525%0.254CS..Hα-helixtrans-65.8-48.7178.3-172.3-93.5000110.6L21 E22 S23 V24 K28 S30 P43L21-F26 HydrophobicContact CB-CB 3.86Å; L21-F26 HydrophobicContact CB-CD2 4.12Å; L21-F26 HydrophobicContact CD1-CB 4.33Å; L21-F26 HydrophobicContact CD1-CD2 3.92Å; L21-F26 HydrophobicContact CD1-CG 4.5Å; L21-F26 HydrophobicContact CG-CD2 4.45Å; E22-F26 WeakPolarHBondContact O-CB 3.49Å; E22-F26 PolarHBondContact O-N 3.45Å; S23-F26 WeakPolarHBondContact O-CB 3.15Å; S23-F26 PolarHBondContact O-N 2.67Å; V24-F26 PolarHBondContact O-N 3.48Å; F26-K28 VanDerWaalsContact C-N 3.27Å; F26-K28 PolarHBondContact O-N 3.19Å; F26-S30 WeakPolarHBondContact O-CB 3.06Å; F26-S30 PolarHBondContact O-N 3.35Å; F26-S30 VanDerWaalsContact O-N 3.09Å; F26-S30 PolarHBondContact O-OG 3.48Å; F26-P43 HydrophobicContact CD2-CB 3.72Å; F26-P43 HydrophobicContact CD2-CG 4.02Å; F26-P43 HydrophobicContact CE2-CB 3.99Å; F26-P43 HydrophobicContact CE2-CG 3.74Å; F26-P43 HydrophobicContact CG-CB 4.06Å; F26-P43 HydrophobicContact CZ-CG 4.07Å
27E76.5Confident81.6Confident158 Ų15846.2 Ų46.274%0.73827%0.268SS*.Hα-helixtrans-59.1-39.5173.8-70.6176.9179.700112.1S23 V24S23-E27 PolarHBondContact O-N 3.44Å; S23-E27 VanDerWaalsContact O-N 3.11Å; V24-E27 PolarHBondContact O-N 3.3Å
28K72.4Confident81.6Confident102 Ų10243.2 Ų43.244%0.44325%0.253SS..Hα-helixtrans-76.3-41.5-176.9-73.2178.6178.5-177.40114.4V24 A25 F26V24-K28 HydrophobicContact CG1-CD 4.07Å; V24-K28 WeakPolarHBondContact O-CB 3.27Å; V24-K28 VanDerWaalsContact O-CG 3.3Å; V24-K28 WeakPolarHBondContact O-CG 3.46Å; V24-K28 PolarHBondContact O-N 2.94Å; A25-K28 PolarHBondContact O-N 3.38Å; F26-K28 VanDerWaalsContact C-N 3.27Å; F26-K28 PolarHBondContact O-N 3.19Å
29F80.7Confident81.2Confident26 Ų2650.8 Ų50.811%0.11429%0.286CS..Hα-helixtrans-117.7-21.3-163.8-58.8-58.1000114.8V5 L9 L21 A25 S31 C32 L33 I59 S61V5-F29 HydrophobicContact CG1-CE1 4.36Å; L9-F29 HydrophobicContact CD2-CD1 4.38Å; L9-F29 HydrophobicContact CD2-CG 4.43Å; L21-F29 HydrophobicContact CD1-CB 4.48Å; A25-F29 HydrophobicContact CB-CD2 4.06Å; A25-F29 HydrophobicContact CB-CE2 4.47Å; A25-F29 WeakPolarHBondContact O-CB 3.42Å; A25-F29 WeakPolarHBondContact O-CD2 3.49Å; A25-F29 PolarHBondContact O-N 2.98Å; F29-S31 PolarHBondContact O-N 2.98Å; F29-C32 PolarHBondContact O-N 3.46Å; F29-L33 HydrophobicContact CB-CD1 3.93Å; F29-L33 HydrophobicContact CB-CG 4.22Å; F29-L33 WeakPolarHBondContact O-CB 3.24Å; F29-L33 WeakPolarHBondContact O-CG 3.4Å; F29-L33 PolarHBondContact O-N 3.32Å; F29-I59 HydrophobicContact CD2-CG2 4.03Å; F29-I59 HydrophobicContact CE2-CG2 4.09Å; F29-S61 WeakPolarHBondContact CE2-OG 3.22Å
30S81.3Confident81.1Confident18 Ų1853.1 Ų53.113%0.12630%0.299CS..Hα-helixtrans-53.1-56.3-171.857.40000112.9F26 C32 L33 L34F26-S30 WeakPolarHBondContact O-CB 3.06Å; F26-S30 PolarHBondContact O-N 3.35Å; F26-S30 VanDerWaalsContact O-N 3.09Å; F26-S30 PolarHBondContact O-OG 3.48Å; S30-C32 VanDerWaalsContact C-N 3.27Å; S30-C32 PolarHBondContact O-N 2.94Å; S30-L33 PolarHBondContact O-N 3.43Å; S30-L34 WeakPolarHBondContact O-CB 3.34Å; S30-L34 VanDerWaalsContact O-CG 3.27Å; S30-L34 WeakPolarHBondContact O-CG 3.42Å; S30-L34 PolarHBondContact O-N 2.91Å
31S74.5Confident80.9Confident69 Ų6953.9 Ų53.948%0.48330%0.304SS..Hα-helixtrans-57.8-39.6179.262.60000112.3F29 C35F29-S31 PolarHBondContact O-N 2.98Å; S31-C35 WeakPolarHBondContact O-CB 3.49Å; S31-C35 PolarHBondContact O-N 3.2Å; S31-C35 PolarHBondContact O-SG 3.24Å
32C70.2Confident80.8Confident11 Ų1155.9 Ų55.97%0.07431%0.312CS..Hα-helixtrans-73.5-40-177.4-164.30000112.7V6 F29 S30 C35 S36V6-C32 VanDerWaalsContact CG1-SG 3.57Å; V6-C32 HydrophobicContact CG2-CB 4.38Å; V6-C32 WeakPolarHBondContact CG2-SG 3.43Å; F29-C32 PolarHBondContact O-N 3.46Å; S30-C32 VanDerWaalsContact C-N 3.27Å; S30-C32 PolarHBondContact O-N 2.94Å; C32-C35 PolarHBondContact O-N 3.33Å; C32-S36 WeakPolarHBondContact O-CB 3.39Å; C32-S36 PolarHBondContact O-N 3.15Å; C32-S36 PolarHBondContact O-OG 3.3Å
33L81Confident80.8Confident1 Ų156.2 Ų56.21%0.00532%0.315CS..Hα-helixtrans-64.3-45.6176.2-70.2173.4000110.6L9 L10 L13 V19 L21 F29 S30 S36 G37 V38 V41 I59L9-L33 HydrophobicContact CD2-CD2 3.81Å; L9-L33 HydrophobicContact CD2-CG 4.49Å; L9-L33 HydrophobicContact CG-CD2 4.43Å; L10-L33 HydrophobicContact CD2-CD2 4.37Å; L13-L33 HydrophobicContact CD1-CD2 3.46Å; L13-L33 VanDerWaalsContact CD1-CD2 3.46Å; V19-L33 HydrophobicContact CG1-CD1 4.1Å; L21-L33 HydrophobicContact CD1-CD1 4.15Å; L21-L33 HydrophobicContact CD2-CD1 4.06Å; F29-L33 HydrophobicContact CB-CD1 3.93Å; F29-L33 HydrophobicContact CB-CG 4.22Å; F29-L33 WeakPolarHBondContact O-CB 3.24Å; F29-L33 WeakPolarHBondContact O-CG 3.4Å; F29-L33 PolarHBondContact O-N 3.32Å; S30-L33 PolarHBondContact O-N 3.43Å; L33-S36 CarbonylContact O-C 3.44Å; L33-S36 PolarHBondContact O-N 3.19Å; L33-S36 VanDerWaalsContact O-N 3.1Å; L33-G37 PolarHBondContact O-N 3.24Å; L33-V38 HydrophobicContact CB-CB 4.12Å; L33-V38 HydrophobicContact CB-CG2 4.26Å; L33-V38 HydrophobicContact CD2-CG2 4.15Å; L33-V38 WeakPolarHBondContact O-CB 3.28Å; L33-V38 PolarHBondContact O-N 3.37Å; L33-V41 HydrophobicContact CB-CG2 3.92Å; L33-V41 HydrophobicContact CD1-CG1 4.39Å; L33-V41 HydrophobicContact CD1-CG2 4.5Å; L33-I59 HydrophobicContact CD1-CD1 4.15Å
34L80.3Confident81Confident94 Ų9454.1 Ų54.149%0.49230%0.299SS..Hα-helixtrans-60.7-47.1175.3-69.2169.6000111.7S30 S36 G37 V41S30-L34 WeakPolarHBondContact O-CB 3.34Å; S30-L34 VanDerWaalsContact O-CG 3.27Å; S30-L34 WeakPolarHBondContact O-CG 3.42Å; S30-L34 PolarHBondContact O-N 2.91Å; L34-S36 PolarHBondContact O-N 3.07Å; L34-G37 PolarHBondContact O-N 3.1Å; L34-G37 VanDerWaalsContact O-N 3.07Å; L34-V41 HydrophobicContact CD2-CB 4.25Å; L34-V41 HydrophobicContact CD2-CG2 4.14Å; L34-V41 HydrophobicContact CG-CB 4.46Å; L34-V41 HydrophobicContact CG-CG2 4.36Å
35C71.8Confident81.4Confident92 Ų9258.4 Ų58.462%0.62231%0.311SS*.Hα-helixtrans-62-26.3175.3-73.60000113.3S31 C32 G37S31-C35 WeakPolarHBondContact O-CB 3.49Å; S31-C35 PolarHBondContact O-N 3.2Å; S31-C35 PolarHBondContact O-SG 3.24Å; C32-C35 PolarHBondContact O-N 3.33Å; C35-G37 VanDerWaalsContact C-N 3.28Å
36S72.9Confident81.5Confident56 Ų5662.7 Ų62.739%0.39233%0.334SS..THydrogen-bonded Turntrans-86.73.1178.3-53.60000113C32 L33 L34C32-S36 WeakPolarHBondContact O-CB 3.39Å; C32-S36 PolarHBondContact O-N 3.15Å; C32-S36 PolarHBondContact O-OG 3.3Å; L33-S36 CarbonylContact O-C 3.44Å; L33-S36 PolarHBondContact O-N 3.19Å; L33-S36 VanDerWaalsContact O-N 3.1Å; L34-S36 PolarHBondContact O-N 3.07Å
37G78Confident81.4Confident54 Ų5460.9 Ų60.956%0.55733%0.327SS*.THydrogen-bonded Turntrans92.15176.800000115.3L33 L34 C35 K39L33-G37 PolarHBondContact O-N 3.24Å; L34-G37 PolarHBondContact O-N 3.1Å; L34-G37 VanDerWaalsContact O-N 3.07Å; C35-G37 VanDerWaalsContact C-N 3.28Å; G37-K39 PolarHBondContact O-N 3Å
38V82.5Confident81.4Confident28 Ų2859 Ų5917%0.1733%0.326CS..  trans-70.9111.2171.9-175.40000108.2L10 L13 V19 L33 V41L10-V38 HydrophobicContact CD2-CG2 3.7Å; L13-V38 HydrophobicContact CD1-CG2 4.34Å; V19-V38 HydrophobicContact CB-CG1 4.48Å; V19-V38 HydrophobicContact CG2-CG1 3.72Å; L33-V38 HydrophobicContact CB-CB 4.12Å; L33-V38 HydrophobicContact CB-CG2 4.26Å; L33-V38 HydrophobicContact CD2-CG2 4.15Å; L33-V38 WeakPolarHBondContact O-CB 3.28Å; L33-V38 PolarHBondContact O-N 3.37Å; V38-V41 HydrophobicContact CB-CG2 4.07Å; V38-V41 HydrophobicContact CG1-CG2 3.62Å
39K80.4Confident81.4Confident184 Ų18457 Ų5780%0.832%0.319SS*.  trans-78.5-36.8-169.1-65.3-176.5-179.8177.30114G37G37-K39 PolarHBondContact O-N 3Å
40N88.4Confident81.2Confident49 Ų4962.6 Ų62.626%0.26235%0.345SS..  trans-112.978.2-166.5-68.4-22.3000110D17 Y18 V19 F42D17-N40 WeakPolarHBondContact O-CB 3.5Å; D17-N40 PolarHBondContact O-ND2 2.95Å; Y18-N40 HydrophobicContact CD1-CB 3.87Å; Y18-N40 HydrophobicContact CE1-CB 4.15Å; Y18-N40 HydrophobicContact CG-CB 4.34Å; V19-N40 PolarHBondContact N-O 3.48Å; N40-F42 HydrophobicContact CB-CE2 3.86Å
41V88.7Confident81.2Confident19 Ų1961.8 Ų61.812%0.11534%0.339CS..EExtended strand (participates in β ladder)trans-112116.6-179.6-177.10000108.9V19 L21 L33 L34 V38V19-V41 WeakPolarHBondContact O-CA 3.47Å; L21-V41 HydrophobicContact CD1-CG1 3.39Å; L21-V41 HydrophobicContact CG-CG1 3.93Å; L33-V41 HydrophobicContact CB-CG2 3.92Å; L33-V41 HydrophobicContact CD1-CG1 4.39Å; L33-V41 HydrophobicContact CD1-CG2 4.5Å; L34-V41 HydrophobicContact CD2-CB 4.25Å; L34-V41 HydrophobicContact CD2-CG2 4.14Å; L34-V41 HydrophobicContact CG-CB 4.46Å; L34-V41 HydrophobicContact CG-CG2 4.36Å; V38-V41 HydrophobicContact CB-CG2 4.07Å; V38-V41 HydrophobicContact CG1-CG2 3.62Å
42F90Very high81.3Confident42 Ų4260.6 Ų60.618%0.18433%0.329CS..EExtended strand (participates in β ladder)trans-121.8140-174.8-63.2-82.2000111.3Y18 V19 I20 L21 N40 V47 E49Y18-F42 HydrophobicContact CD1-CD2 4.24Å; Y18-F42 AromaticContact CD1-CE2 3.65Å; Y18-F42 HydrophobicContact CD1-CE2 3.65Å; Y18-F42 HydrophobicContact CE1-CE2 4.12Å; V19-F42 PolarHBondContact O-N 3.46Å; I20-F42 CarbonylContact C-O 3.15Å; I20-F42 WeakPolarHBondContact CA-O 3.33Å; L21-F42 PolarHBondContact N-O 3.01Å; N40-F42 HydrophobicContact CB-CE2 3.86Å; F42-V47 HydrophobicContact CB-CG2 4.34Å; F42-E49 HydrophobicContact CZ-CG 4.32Å
43P91.8Very high81.6Confident13 Ų1366.6 Ų66.68%0.08436%0.361CS..EExtended strand (participates in β ladder)trans-69.3143.3162.617.9-9.8000109.8L21 F26 Y45 D46L21-P43 CarbonylContact O-C 3.56Å; L21-P43 WeakPolarHBondContact O-CA 3.41Å; F26-P43 HydrophobicContact CD2-CB 3.72Å; F26-P43 HydrophobicContact CD2-CG 4.02Å; F26-P43 HydrophobicContact CE2-CB 3.99Å; F26-P43 HydrophobicContact CE2-CG 3.74Å; F26-P43 HydrophobicContact CG-CB 4.06Å; F26-P43 HydrophobicContact CZ-CG 4.07Å; P43-Y45 HydrophobicContact CB-CD1 4.13Å; P43-Y45 HydrophobicContact CB-CD2 4.19Å; P43-Y45 HydrophobicContact CB-CE1 3.64Å; P43-Y45 HydrophobicContact CB-CE2 3.7Å; P43-Y45 HydrophobicContact CB-CG 4.39Å; P43-Y45 VanDerWaalsContact CB-CZ 3.4Å; P43-Y45 HydrophobicContact CG-CD2 4.48Å; P43-Y45 HydrophobicContact CG-CE2 3.88Å; P43-Y45 PolarHBondContact O-N 3.25Å; P43-Y45 VanDerWaalsContact O-N 3.1Å; P43-D46 HydrophobicContact CG-CB 3.83Å; P43-D46 PolarHBondContact O-N 2.9Å
44I90.2Very high81.7Confident9 Ų969.5 Ų69.55%0.04637%0.373CS..G310 helixtrans-57.4-29.6-175.6-164.9169.6000113.6I20 L21 E22 D46 F58 L68 Q71 I72 V75I20-I44 HydrophobicContact CG2-CB 3.97Å; I20-I44 HydrophobicContact CG2-CG1 4Å; L21-I44 PolarHBondContact O-N 3.01Å; E22-I44 HydrophobicContact CB-CG2 4.46Å; I44-D46 VanDerWaalsContact C-N 3.33Å; I44-F58 HydrophobicContact CD1-CD1 4.33Å; I44-F58 HydrophobicContact CD1-CE1 4.27Å; I44-L68 HydrophobicContact CD1-CD1 4.34Å; I44-Q71 HydrophobicContact CD1-CB 3.82Å; I44-Q71 HydrophobicContact CG1-CB 4.23Å; I44-I72 HydrophobicContact CD1-CG1 3.64Å; I44-V75 HydrophobicContact CG1-CG2 4.14Å
45Y87.3Confident81.9Confident144 Ų14466.4 Ų66.457%0.56536%0.359SS*.G310 helixtrans-84.4-3.518052.6-100.9000114S23 P43S23-Y45 WeakPolarHBondContact OG-CE1 3.46Å; P43-Y45 HydrophobicContact CB-CD1 4.13Å; P43-Y45 HydrophobicContact CB-CD2 4.19Å; P43-Y45 HydrophobicContact CB-CE1 3.64Å; P43-Y45 HydrophobicContact CB-CE2 3.7Å; P43-Y45 HydrophobicContact CB-CG 4.39Å; P43-Y45 VanDerWaalsContact CB-CZ 3.4Å; P43-Y45 HydrophobicContact CG-CD2 4.48Å; P43-Y45 HydrophobicContact CG-CE2 3.88Å; P43-Y45 PolarHBondContact O-N 3.25Å; P43-Y45 VanDerWaalsContact O-N 3.1Å
46D86Confident82.6Confident90 Ų9062.4 Ų62.448%0.48133%0.331SS..G310 helixtrans-129.431.4-177.3-161.118000111.9P43 I44 T48P43-D46 HydrophobicContact CG-CB 3.83Å; P43-D46 PolarHBondContact O-N 2.9Å; I44-D46 VanDerWaalsContact C-N 3.33Å; D46-T48 PolarHBondContact O-N 3.08Å; D46-T48 VanDerWaalsContact O-N 3.11Å
47V83.5Confident83.5Confident20 Ų2059.7 Ų59.712%0.12131%0.312CS..  trans-80.393.9174.7-175.20000108.6I20 F42 L51 V75 N79I20-V47 HydrophobicContact CD1-CG2 4.28Å; I20-V47 HydrophobicContact CG1-CG2 4.43Å; I20-V47 HydrophobicContact CG2-CG2 3.79Å; F42-V47 HydrophobicContact CB-CG2 4.34Å; V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 4.37Å; V47-V75 HydrophobicContact CB-CG2 4.41Å; V47-V75 HydrophobicContact CG1-CG1 4.42Å; V47-V75 HydrophobicContact CG2-CG2 4.22Å; V47-N79 PolarHBondContact O-ND2 2.7Å
48T76.5Confident84.1Confident117 Ų11757.3 Ų57.372%0.71829%0.286SS*.  trans-96.9-11.7177.452.10000113.5D46D46-T48 PolarHBondContact O-N 3.08Å; D46-T48 VanDerWaalsContact O-N 3.11Å
49E72.4Confident84.5Confident62 Ų6256 Ų5629%0.2928%0.279SS..SBendtrans-78.3140179.3-78.6-143.8-15900113.1Y18 F42 L51 K54Y18-E49 WeakPolarHBondContact CE1-OE2 3.24Å; Y18-E49 PolarHBondContact OH-OE2 3.12Å; F42-E49 HydrophobicContact CZ-CG 4.32Å; E49-L51 HydrophobicContact CB-CD2 4.35Å; E49-L51 PolarHBondContact O-N 3.33Å; E49-K54 IonicContact OE2-NZ 2.81Å; E49-K54 PolarHBondContact OE2-NZ 3.3Å
50E78.4Confident84.9Confident142 Ų14247.3 Ų47.366%0.66424%0.241SC*.  trans-71.6111.9166.1-167.1174.2-169.900108.8V52 K54E50-V52 VanDerWaalsContact C-N 3.35Å; E50-V52 HydrophobicContact CG-CB 4.1Å; E50-V52 HydrophobicContact CG-CG2 3.66Å; E50-K54 WeakPolarHBondContact O-CD 3.34Å; E50-K54 PolarHBondContact O-NZ 3.02Å; E50-K54 VanDerWaalsContact O-NZ 3.08Å
51L80Confident84.5Confident1 Ų145.5 Ų45.51%0.00523%0.232CC..  trans-947.6-177-61.8175.3000112.7Y18 I20 V47 E49 N53 K54 F56 V75 N79Y18-L51 HydrophobicContact CD1-CD2 3.65Å; Y18-L51 HydrophobicContact CD2-CD2 4.02Å; Y18-L51 HydrophobicContact CE1-CD2 4.17Å; Y18-L51 HydrophobicContact CG-CD2 3.62Å; I20-L51 HydrophobicContact CD1-CD1 3.57Å; V47-L51 HydrophobicContact CG1-CD1 3.79Å; V47-L51 HydrophobicContact CG1-CG 4.37Å; E49-L51 HydrophobicContact CB-CD2 4.35Å; E49-L51 PolarHBondContact O-N 3.33Å; L51-N53 PolarHBondContact O-N 3.36Å; L51-K54 PolarHBondContact O-N 2.87Å; L51-F56 HydrophobicContact CB-CD1 3.86Å; L51-F56 HydrophobicContact CB-CE1 4.1Å; L51-F56 HydrophobicContact CD1-CB 4.33Å; L51-F56 HydrophobicContact CD1-CD1 4.08Å; L51-F56 HydrophobicContact CD1-CD2 4.32Å; L51-F56 HydrophobicContact CD1-CE1 4.49Å; L51-F56 HydrophobicContact CD1-CG 4Å; L51-F56 HydrophobicContact CG-CD1 4.47Å; L51-V75 HydrophobicContact CD1-CG1 4.08Å; L51-N79 CarbonylContact C-O 3.39Å; L51-N79 VanDerWaalsContact CA-O 3.31Å; L51-N79 WeakPolarHBondContact CA-O 3.5Å; L51-N79 HydrophobicContact CB-CB 4.21Å; L51-N79 WeakPolarHBondContact CB-O 3.42Å; L51-N79 HydrophobicContact CD1-CB 4.21Å; L51-N79 HydrophobicContact CG-CB 4.24Å; L51-N79 PolarHBondContact N-O 3.21Å
52V77.5Confident84Confident44 Ų4445.8 Ų45.827%0.26724%0.235SC..THydrogen-bonded Turntrans-57.1125-178.5178.70000109E50 K54 N79E50-V52 VanDerWaalsContact C-N 3.35Å; E50-V52 HydrophobicContact CG-CB 4.1Å; E50-V52 HydrophobicContact CG-CG2 3.66Å; V52-K54 PolarHBondContact O-N 2.9Å; V52-K54 VanDerWaalsContact O-N 3.08Å; V52-N79 WeakPolarHBondContact CG2-O 3.36Å; V52-N79 PolarHBondContact N-O 3.33Å
53N75.6Confident83.4Confident138 Ų13847.4 Ų47.474%0.73825%0.249SC*.THydrogen-bonded Turntrans64.6-6.5-175.2-57.2-39.3000116.9L51 R82L51-N53 PolarHBondContact O-N 3.36Å; N53-R82 PolarHBondContact O-NH2 3.28Å
54K82.9Confident82.9Confident61 Ų6146.9 Ų46.927%0.26525%0.246SC..SBendtrans-81.1138.8176.2-70.8158.6166.5-174.30111Y18 E49 E50 L51 V52 F56 R82Y18-K54 HydrophobicContact CD2-CB 3.92Å; Y18-K54 HydrophobicContact CD2-CD 4.25Å; Y18-K54 HydrophobicContact CD2-CG 4.44Å; Y18-K54 HydrophobicContact CE2-CB 3.75Å; Y18-K54 HydrophobicContact CE2-CD 3.45Å; Y18-K54 VanDerWaalsContact CE2-CD 3.45Å; Y18-K54 HydrophobicContact CE2-CG 3.77Å; Y18-K54 WeakPolarHBondContact OH-CE 3.25Å; Y18-K54 PolarHBondContact OH-NZ 3Å; E49-K54 IonicContact OE2-NZ 2.81Å; E49-K54 PolarHBondContact OE2-NZ 3.3Å; E50-K54 WeakPolarHBondContact O-CD 3.34Å; E50-K54 PolarHBondContact O-NZ 3.02Å; E50-K54 VanDerWaalsContact O-NZ 3.08Å; L51-K54 PolarHBondContact O-N 2.87Å; V52-K54 PolarHBondContact O-N 2.9Å; V52-K54 VanDerWaalsContact O-N 3.08Å; K54-F56 WeakPolarHBondContact O-CD1 3.37Å; K54-F56 PolarHBondContact O-N 3.1Å; K54-R82 PolarHBondContact O-NH2 2.87Å
55P84.6Confident82.6Confident30 Ų3049.8 Ų49.820%0.19526%0.264CS..  trans-72.2115.1171.629.9-31.7000110G15 F16 D17 Y18G15-P55 WeakPolarHBondContact O-CB 3.12Å; G15-P55 WeakPolarHBondContact O-CG 3.46Å; F16-P55 HydrophobicContact CD1-CB 4.24Å; D17-P55 HydrophobicContact CB-CG 4.07Å; D17-P55 PolarHBondContact N-O 2.62Å; D17-P55 WeakPolarHBondContact OD2-CD 3.02Å; D17-P55 VanDerWaalsContact OD2-CG 3.3Å; D17-P55 WeakPolarHBondContact OD2-CG 3.31Å; Y18-P55 PolarHBondContact N-O 2.82Å
56F87.4Confident82.5Confident7 Ų747 Ų473%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-126.2156.517466.3-89.8000110.8Y18 I20 L51 K54 F58 V76Y18-F56 CarbonylContact O-C 3.58Å; Y18-F56 VanDerWaalsContact O-CA 3.24Å; Y18-F56 WeakPolarHBondContact O-CA 3.41Å; I20-F56 HydrophobicContact CD1-CB 4.32Å; I20-F56 HydrophobicContact CD1-CD2 3.73Å; I20-F56 HydrophobicContact CD1-CE2 4.44Å; I20-F56 HydrophobicContact CD1-CG 4.27Å; L51-F56 HydrophobicContact CB-CD1 3.86Å; L51-F56 HydrophobicContact CB-CE1 4.1Å; L51-F56 HydrophobicContact CD1-CB 4.33Å; L51-F56 HydrophobicContact CD1-CD1 4.08Å; L51-F56 HydrophobicContact CD1-CD2 4.32Å; L51-F56 HydrophobicContact CD1-CE1 4.49Å; L51-F56 HydrophobicContact CD1-CG 4Å; L51-F56 HydrophobicContact CG-CD1 4.47Å; K54-F56 WeakPolarHBondContact O-CD1 3.37Å; K54-F56 PolarHBondContact O-N 3.1Å; F56-F58 HydrophobicContact CD2-CE2 4.02Å; F56-F58 HydrophobicContact CD2-CZ 4.25Å; F56-F58 HydrophobicContact CE2-CD2 4.39Å; F56-F58 AromaticContact CE2-CE2 3.52Å; F56-F58 HydrophobicContact CE2-CE2 3.52Å; F56-F58 AromaticContact CE2-CZ 3.77Å; F56-F58 HydrophobicContact CE2-CZ 3.77Å; F56-V76 HydrophobicContact CE2-CG2 4.36Å; F56-V76 HydrophobicContact CZ-CG2 4.45Å
57I90.5Very high82.6Confident0 Ų046.3 Ų46.30%026%0.261CS..EExtended strand (participates in β ladder)trans-137.3143.4-178.4-166.4162.5000110.4L13 F16 Y18 V19 I20 L86 L88L13-I57 HydrophobicContact CD2-CD1 4.4Å; L13-I57 HydrophobicContact CD2-CG2 3.46Å; L13-I57 VanDerWaalsContact CD2-CG2 3.46Å; F16-I57 HydrophobicContact CB-CB 4.41Å; F16-I57 HydrophobicContact CB-CG2 4Å; F16-I57 HydrophobicContact CD1-CB 3.64Å; F16-I57 HydrophobicContact CD1-CD1 4.36Å; F16-I57 HydrophobicContact CD1-CG2 4.19Å; F16-I57 HydrophobicContact CD2-CB 4.39Å; F16-I57 HydrophobicContact CD2-CD1 3.89Å; F16-I57 HydrophobicContact CD2-CG2 4.47Å; F16-I57 HydrophobicContact CE1-CB 3.92Å; F16-I57 HydrophobicContact CE1-CD1 4.12Å; F16-I57 HydrophobicContact CE1-CG1 4.37Å; F16-I57 HydrophobicContact CE2-CD1 3.65Å; F16-I57 HydrophobicContact CG-CB 3.89Å; F16-I57 HydrophobicContact CG-CD1 4.24Å; F16-I57 HydrophobicContact CG-CG2 3.96Å; F16-I57 HydrophobicContact CZ-CB 4.43Å; F16-I57 HydrophobicContact CZ-CD1 3.77Å; F16-I57 HydrophobicContact CZ-CG1 4.47Å; Y18-I57 PolarHBondContact O-N 2.79Å; V19-I57 HydrophobicContact CB-CG2 4.46Å; V19-I57 HydrophobicContact CG1-CG2 4.31Å; V19-I57 HydrophobicContact CG2-CG2 4.11Å; I20-I57 PolarHBondContact N-O 3.43Å; I57-L86 HydrophobicContact CD1-CD2 3.69Å; I57-L86 HydrophobicContact CD1-CG 4.07Å; I57-L86 HydrophobicContact CG1-CB 4.39Å; I57-L86 HydrophobicContact CG1-CD2 4.43Å; I57-L86 HydrophobicContact CG1-CG 4.32Å; I57-L88 HydrophobicContact CD1-CD1 3.27Å; I57-L88 HydrophobicContact CD1-CD2 4.23Å; I57-L88 HydrophobicContact CD1-CG 3.52Å; I57-L88 HydrophobicContact CG1-CD1 3.95Å; I57-L88 HydrophobicContact CG1-CG 3.96Å
58F92Very high82.9Confident3 Ų345.8 Ų45.81%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-95.2139.3172.9-63.9-84.7000110.4I20 I44 F56 I72 V75 V76 L86 I87 L88I20-F58 HydrophobicContact CB-CD1 3.81Å; I20-F58 HydrophobicContact CB-CE1 4.06Å; I20-F58 HydrophobicContact CD1-CD1 4.45Å; I20-F58 HydrophobicContact CD1-CE1 3.95Å; I20-F58 HydrophobicContact CD1-CZ 4.28Å; I20-F58 HydrophobicContact CG2-CD1 3.82Å; I20-F58 HydrophobicContact CG2-CE1 3.84Å; I20-F58 CarbonylContact O-C 3.6Å; I20-F58 VanDerWaalsContact O-CA 3.32Å; I20-F58 WeakPolarHBondContact O-CA 3.23Å; I44-F58 HydrophobicContact CD1-CD1 4.33Å; I44-F58 HydrophobicContact CD1-CE1 4.27Å; F56-F58 HydrophobicContact CD2-CE2 4.02Å; F56-F58 HydrophobicContact CD2-CZ 4.25Å; F56-F58 HydrophobicContact CE2-CD2 4.39Å; F56-F58 AromaticContact CE2-CE2 3.52Å; F56-F58 HydrophobicContact CE2-CE2 3.52Å; F56-F58 AromaticContact CE2-CZ 3.77Å; F56-F58 HydrophobicContact CE2-CZ 3.77Å; F58-I72 HydrophobicContact CD1-CG1 4.3Å; F58-I72 HydrophobicContact CD2-CG2 4.26Å; F58-I72 HydrophobicContact CE1-CG1 4.39Å; F58-I72 HydrophobicContact CE1-CG2 4.29Å; F58-I72 HydrophobicContact CE2-CG2 3.92Å; F58-I72 HydrophobicContact CZ-CG2 3.95Å; F58-V75 HydrophobicContact CE1-CB 4Å; F58-V75 HydrophobicContact CE1-CG1 3.83Å; F58-V75 HydrophobicContact CE1-CG2 4.4Å; F58-V75 HydrophobicContact CZ-CB 3.85Å; F58-V75 HydrophobicContact CZ-CG1 3.61Å; F58-V76 HydrophobicContact CE2-CG2 3.68Å; F58-V76 HydrophobicContact CZ-CG2 3.85Å; F58-L86 PolarHBondContact N-O 3.25Å; F58-I87 HydrophobicContact CB-CB 4.43Å; F58-I87 HydrophobicContact CB-CG1 4.18Å; F58-I87 HydrophobicContact CB-CG2 4.21Å; F58-I87 HydrophobicContact CD2-CG1 4.19Å; F58-L88 PolarHBondContact O-N 2.92Å
59I90.5Very high83.5Confident2 Ų240.2 Ų40.21%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-114.3122.4164.8-56.7173.5000108.7L9 L13 V19 I20 L21 E22 A25 F29 L33 L88L9-I59 HydrophobicContact CD1-CD1 3.65Å; L9-I59 HydrophobicContact CD1-CG1 4.26Å; L9-I59 HydrophobicContact CD2-CD1 3.89Å; L9-I59 HydrophobicContact CG-CD1 4.14Å; L13-I59 HydrophobicContact CD2-CD1 4.37Å; V19-I59 HydrophobicContact CG1-CD1 3.5Å; V19-I59 HydrophobicContact CG1-CG1 4.03Å; I20-I59 PolarHBondContact O-N 3.34Å; L21-I59 HydrophobicContact CD2-CB 3.61Å; L21-I59 HydrophobicContact CD2-CD1 3.61Å; L21-I59 HydrophobicContact CD2-CG1 3.95Å; L21-I59 HydrophobicContact CD2-CG2 4.36Å; E22-I59 PolarHBondContact N-O 3.13Å; A25-I59 HydrophobicContact CB-CG2 4.07Å; A25-I59 WeakPolarHBondContact CB-O 3.34Å; F29-I59 HydrophobicContact CD2-CG2 4.03Å; F29-I59 HydrophobicContact CE2-CG2 4.09Å; L33-I59 HydrophobicContact CD1-CD1 4.15Å; I59-L88 CarbonylContact C-O 3.6Å; I59-L88 VanDerWaalsContact CA-O 3.31Å; I59-L88 WeakPolarHBondContact CA-O 3.49Å; I59-L88 HydrophobicContact CG1-CB 4.27Å; I59-L88 HydrophobicContact CG1-CD1 4.37Å
60V88.1Confident84.3Confident1 Ų139 Ų391%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-119.3124.4-177.7166.80000109.2E22 S62 F64 L68 I72 I87 L88 S89 T90E22-V60 VanDerWaalsContact OE2-C 3.26Å; E22-V60 WeakPolarHBondContact OE2-CA 3.23Å; E22-V60 WeakPolarHBondContact OE2-CB 3.3Å; E22-V60 WeakPolarHBondContact OE2-CG1 3.39Å; V60-S62 VanDerWaalsContact CG1-O 3.27Å; V60-S62 WeakPolarHBondContact CG1-O 3.24Å; V60-F64 HydrophobicContact CB-CZ 4.44Å; V60-F64 HydrophobicContact CG1-CE1 4.03Å; V60-F64 HydrophobicContact CG1-CE2 4.38Å; V60-F64 HydrophobicContact CG1-CZ 3.94Å; V60-F64 HydrophobicContact CG2-CE1 4.4Å; V60-L68 HydrophobicContact CG1-CD2 3.81Å; V60-L68 HydrophobicContact CG2-CD2 4.33Å; V60-I72 HydrophobicContact CG2-CD1 4.12Å; V60-I87 HydrophobicContact CB-CG2 4.05Å; V60-I87 HydrophobicContact CG2-CG2 3.7Å; V60-L88 PolarHBondContact N-O 3.29Å; V60-S89 CarbonylContact O-C 3.59Å; V60-S89 VanDerWaalsContact O-CA 3.28Å; V60-S89 WeakPolarHBondContact O-CA 3.27Å; V60-T90 PolarHBondContact O-N 3.34Å
61S80Confident84.9Confident11 Ų1135.6 Ų35.68%0.07720%0.202CC..  trans-115.8-4.2173.3-63.20000113.9E22 F29 T90 V91E22-S61 WeakPolarHBondContact OE1-CA 3.36Å; E22-S61 VanDerWaalsContact OE1-CB 3.29Å; E22-S61 WeakPolarHBondContact OE1-CB 3.39Å; E22-S61 PolarHBondContact OE1-N 2.78Å; E22-S61 PolarHBondContact OE2-N 3.24Å; F29-S61 WeakPolarHBondContact CE2-OG 3.22Å; S61-T90 VanDerWaalsContact CA-OG1 3.31Å; S61-T90 WeakPolarHBondContact CA-OG1 3.48Å; S61-V91 WeakPolarHBondContact O-CG2 3.07Å
62S78.7Confident85.3Confident24 Ų2435.5 Ų35.517%0.16820%0.202CC..SBendtrans-101.5154.2177.163.90000111.6E22 V60 F64 L68E22-S62 VanDerWaalsContact CD-OG 3.22Å; E22-S62 WeakPolarHBondContact CG-OG 3.32Å; E22-S62 PolarHBondContact OE1-N 3.36Å; E22-S62 PolarHBondContact OE2-N 2.97Å; E22-S62 PolarHBondContact OE2-OG 3.31Å; V60-S62 VanDerWaalsContact CG1-O 3.27Å; V60-S62 WeakPolarHBondContact CG1-O 3.24Å; S62-F64 PolarHBondContact O-N 3.47Å; S62-L68 WeakPolarHBondContact OG-CD2 3.49Å
63P76.6Confident85.8Confident76 Ų7633.6 Ų33.649%0.49419%0.19SC..PPolyproline II helixtrans-55.6140.7170.5-23.133.5000111T65P63-T65 PolarHBondContact O-N 3.38Å; P63-T65 VanDerWaalsContact O-N 3.12Å
64F82.4Confident86.3Confident3 Ų329.7 Ų29.71%0.01317%0.173CC..PPolyproline II helixtrans-62.6120.3174.2-69-81.9000108.8V60 S62 L68 L69 I72 I87 A93 N96 L99 F100 I127V60-F64 HydrophobicContact CB-CZ 4.44Å; V60-F64 HydrophobicContact CG1-CE1 4.03Å; V60-F64 HydrophobicContact CG1-CE2 4.38Å; V60-F64 HydrophobicContact CG1-CZ 3.94Å; V60-F64 HydrophobicContact CG2-CE1 4.4Å; S62-F64 PolarHBondContact O-N 3.47Å; F64-L68 HydrophobicContact CD1-CD2 4.22Å; F64-L69 HydrophobicContact CB-CD1 4.46Å; F64-L69 HydrophobicContact CB-CG 4.47Å; F64-L69 HydrophobicContact CD1-CD2 3.66Å; F64-L69 HydrophobicContact CD1-CG 4.3Å; F64-L69 HydrophobicContact CE1-CD2 4.32Å; F64-L69 HydrophobicContact CG-CD2 4.49Å; F64-I72 HydrophobicContact CE1-CD1 4.36Å; F64-I87 HydrophobicContact CE1-CD1 4.32Å; F64-I87 HydrophobicContact CE1-CG2 4.23Å; F64-I87 HydrophobicContact CZ-CG2 3.99Å; F64-A93 HydrophobicContact CE2-CB 4.47Å; F64-N96 HydrophobicContact CB-CB 4.29Å; F64-N96 PolarHBondContact N-ND2 2.71Å; F64-L99 HydrophobicContact CB-CD1 4.36Å; F64-L99 WeakPolarHBondContact O-CD1 3.1Å; F64-F100 HydrophobicContact CB-CE2 3.8Å; F64-F100 HydrophobicContact CB-CZ 3.99Å; F64-F100 HydrophobicContact CD1-CE2 4.22Å; F64-F100 AromaticContact CD1-CZ 3.69Å; F64-F100 HydrophobicContact CD1-CZ 3.69Å; F64-F100 AromaticContact CD2-CE2 3.79Å; F64-F100 HydrophobicContact CD2-CE2 3.79Å; F64-F100 HydrophobicContact CD2-CZ 4.06Å; F64-F100 HydrophobicContact CE1-CZ 4.14Å; F64-F100 HydrophobicContact CE2-CE2 4.41Å; F64-F100 HydrophobicContact CE2-CZ 4.48Å; F64-F100 AromaticContact CG-CE2 3.66Å; F64-F100 HydrophobicContact CG-CE2 3.66Å; F64-F100 AromaticContact CG-CZ 3.63Å; F64-F100 HydrophobicContact CG-CZ 3.63Å; F64-I127 HydrophobicContact CE1-CD1 4.31Å; F64-I127 HydrophobicContact CE2-CD1 4.06Å; F64-I127 HydrophobicContact CZ-CD1 3.78Å; F64-I127 HydrophobicContact CZ-CG1 4.48Å; F64-I127 HydrophobicContact CZ-CG2 4.35Å
65T84.4Confident86.6Confident70 Ų7027 Ų2743%0.42916%0.162SC..  trans-117.9160.1172.161.30000108.4P63 S67 L68 L69P63-T65 PolarHBondContact O-N 3.38Å; P63-T65 VanDerWaalsContact O-N 3.12Å; T65-S67 PolarHBondContact O-N 2.84Å; T65-L68 PolarHBondContact O-N 3.5Å; T65-L68 VanDerWaalsContact O-N 3.11Å; T65-L68 PolarHBondContact OG1-N 2.89Å; T65-L68 VanDerWaalsContact OG1-N 3.15Å; T65-L69 WeakPolarHBondContact O-CG 3.34Å; T65-L69 PolarHBondContact O-N 3.26Å
66N85Confident86.6Confident86 Ų8625.7 Ų25.746%0.4615%0.154SC..Hα-helixtrans-52-40.1170.5-76.8-43.3000111.6L69 E70 L99N66-L69 PolarHBondContact O-N 3.47Å; N66-E70 WeakPolarHBondContact O-CB 3.36Å; N66-E70 WeakPolarHBondContact O-CG 3.42Å; N66-E70 PolarHBondContact O-N 3.09Å; N66-L99 WeakPolarHBondContact OD1-CD2 3.33Å
67S88.4Confident86.4Confident75 Ų7527 Ų2752%0.52416%0.163SC..Hα-helixtrans-62.9-44.7178.3-170.90000112.7T65 Q71T65-S67 PolarHBondContact O-N 2.84Å; S67-Q71 WeakPolarHBondContact O-CG 3.27Å; S67-Q71 PolarHBondContact O-N 2.81Å; S67-Q71 VanDerWaalsContact O-N 3.15Å
68L89.4Confident85.7Confident8 Ų831.6 Ų31.64%0.04219%0.187CC..Hα-helixtrans-67.2-43.1179.1178.664.6000111.3E22 I44 V60 S62 F64 T65 E70 Q71 I72E22-L68 HydrophobicContact CB-CD1 3.81Å; E22-L68 HydrophobicContact CG-CD1 4.28Å; I44-L68 HydrophobicContact CD1-CD1 4.34Å; V60-L68 HydrophobicContact CG1-CD2 3.81Å; V60-L68 HydrophobicContact CG2-CD2 4.33Å; S62-L68 WeakPolarHBondContact OG-CD2 3.49Å; F64-L68 HydrophobicContact CD1-CD2 4.22Å; T65-L68 PolarHBondContact O-N 3.5Å; T65-L68 VanDerWaalsContact O-N 3.11Å; T65-L68 PolarHBondContact OG1-N 2.89Å; T65-L68 VanDerWaalsContact OG1-N 3.15Å; L68-E70 VanDerWaalsContact C-N 3.31Å; L68-E70 PolarHBondContact O-N 3.01Å; L68-Q71 WeakPolarHBondContact O-CB 3.39Å; L68-Q71 PolarHBondContact O-N 3.07Å; L68-Q71 VanDerWaalsContact O-N 3.17Å; L68-I72 HydrophobicContact CD1-CD1 4.36Å; L68-I72 HydrophobicContact CG-CD1 4.03Å; L68-I72 WeakPolarHBondContact O-CG1 3.4Å; L68-I72 PolarHBondContact O-N 3.48Å
69L89Confident84.6Confident0 Ų033.1 Ų33.10%020%0.196CC..Hα-helixtrans-64-36.5179.1-70.4172.3000112.2F64 T65 N66 I72 T73 L99 F100 Y115F64-L69 HydrophobicContact CB-CD1 4.46Å; F64-L69 HydrophobicContact CB-CG 4.47Å; F64-L69 HydrophobicContact CD1-CD2 3.66Å; F64-L69 HydrophobicContact CD1-CG 4.3Å; F64-L69 HydrophobicContact CE1-CD2 4.32Å; F64-L69 HydrophobicContact CG-CD2 4.49Å; T65-L69 WeakPolarHBondContact O-CG 3.34Å; T65-L69 PolarHBondContact O-N 3.26Å; N66-L69 PolarHBondContact O-N 3.47Å; L69-I72 PolarHBondContact O-N 3.39Å; L69-T73 VanDerWaalsContact O-CB 3.25Å; L69-T73 WeakPolarHBondContact O-CB 3.31Å; L69-T73 PolarHBondContact O-N 3.47Å; L69-T73 PolarHBondContact O-OG1 3.09Å; L69-L99 HydrophobicContact CD1-CB 3.94Å; L69-L99 HydrophobicContact CD1-CD1 4Å; L69-F100 HydrophobicContact CD1-CE1 4.11Å; L69-F100 HydrophobicContact CD1-CZ 4.16Å; L69-F100 HydrophobicContact CD2-CE1 3.67Å; L69-F100 HydrophobicContact CD2-CZ 3.66Å; L69-F100 HydrophobicContact CG-CZ 4.5Å; L69-Y115 HydrophobicContact CB-CD1 4.24Å; L69-Y115 HydrophobicContact CB-CD2 4.39Å; L69-Y115 HydrophobicContact CB-CE1 3.77Å; L69-Y115 HydrophobicContact CB-CE2 3.95Å; L69-Y115 HydrophobicContact CD1-CD2 3.73Å; L69-Y115 HydrophobicContact CD1-CE2 3.62Å; L69-Y115 HydrophobicContact CD1-CG 4.38Å; L69-Y115 HydrophobicContact CG-CE2 4.39Å
70E89.2Confident83.4Confident36 Ų3633.1 Ų33.117%0.16820%0.196CC..Hα-helixtrans-67.3-37.7173-69.8-63.3171.300112.2N66 L68 T73 S74 Y115 K118N66-E70 WeakPolarHBondContact O-CB 3.36Å; N66-E70 WeakPolarHBondContact O-CG 3.42Å; N66-E70 PolarHBondContact O-N 3.09Å; L68-E70 VanDerWaalsContact C-N 3.31Å; L68-E70 PolarHBondContact O-N 3.01Å; E70-T73 WeakPolarHBondContact O-CB 3.41Å; E70-T73 PolarHBondContact O-N 3Å; E70-S74 PolarHBondContact O-N 3.3Å; E70-Y115 PolarHBondContact OE1-OH 3.15Å; E70-Y115 VanDerWaalsContact OE1-OH 3.09Å; E70-K118 HydrophobicContact CG-CD 4.24Å; E70-K118 WeakPolarHBondContact OE1-CB 3.47Å; E70-K118 WeakPolarHBondContact OE1-CG 3.5Å; E70-K118 PolarHBondContact OE1-N 3.3Å
71Q89.7Confident82.3Confident71 Ų7141 Ų4133%0.33223%0.23SC..Hα-helixtrans-63.4-46.3173.4-72.3174.3-4.800111.8I44 S67 L68 T73 S74 V75I44-Q71 HydrophobicContact CD1-CB 3.82Å; I44-Q71 HydrophobicContact CG1-CB 4.23Å; S67-Q71 WeakPolarHBondContact O-CG 3.27Å; S67-Q71 PolarHBondContact O-N 2.81Å; S67-Q71 VanDerWaalsContact O-N 3.15Å; L68-Q71 WeakPolarHBondContact O-CB 3.39Å; L68-Q71 PolarHBondContact O-N 3.07Å; L68-Q71 VanDerWaalsContact O-N 3.17Å; Q71-T73 VanDerWaalsContact C-N 3.28Å; Q71-T73 PolarHBondContact O-N 3.33Å; Q71-S74 PolarHBondContact O-N 3.1Å; Q71-V75 WeakPolarHBondContact O-CG2 2.97Å; Q71-V75 PolarHBondContact O-N 3.47Å; Q71-V75 VanDerWaalsContact O-N 3.13Å
72I89.9Confident81.7Confident0 Ų045.2 Ų45.20%025%0.245CC..Hα-helixtrans-60.1-43.6175.4-66.3170.1000109.8I44 F58 V60 F64 L68 L69 V75 V76 I87 F125I44-I72 HydrophobicContact CD1-CG1 3.64Å; F58-I72 HydrophobicContact CD1-CG1 4.3Å; F58-I72 HydrophobicContact CD2-CG2 4.26Å; F58-I72 HydrophobicContact CE1-CG1 4.39Å; F58-I72 HydrophobicContact CE1-CG2 4.29Å; F58-I72 HydrophobicContact CE2-CG2 3.92Å; F58-I72 HydrophobicContact CZ-CG2 3.95Å; V60-I72 HydrophobicContact CG2-CD1 4.12Å; F64-I72 HydrophobicContact CE1-CD1 4.36Å; L68-I72 HydrophobicContact CD1-CD1 4.36Å; L68-I72 HydrophobicContact CG-CD1 4.03Å; L68-I72 WeakPolarHBondContact O-CG1 3.4Å; L68-I72 PolarHBondContact O-N 3.48Å; L69-I72 PolarHBondContact O-N 3.39Å; I72-V75 PolarHBondContact O-N 3.43Å; I72-V76 HydrophobicContact CG2-CG2 4.38Å; I72-V76 WeakPolarHBondContact O-CG2 3.49Å; I72-V76 PolarHBondContact O-N 3.24Å; I72-I87 HydrophobicContact CD1-CD1 4.14Å; I72-I87 HydrophobicContact CG2-CD1 4.23Å; I72-F125 HydrophobicContact CG2-CD1 4.49Å; I72-F125 HydrophobicContact CG2-CE1 3.74Å; I72-F125 HydrophobicContact CG2-CZ 3.97Å
73T87.4Confident80.7Confident4 Ų449.9 Ų49.93%0.02528%0.278CS..Hα-helixtrans-59.2-47.4177.9-64.70000112L69 E70 Q71 V75 V76 C77 L123L69-T73 VanDerWaalsContact O-CB 3.25Å; L69-T73 WeakPolarHBondContact O-CB 3.31Å; L69-T73 PolarHBondContact O-N 3.47Å; L69-T73 PolarHBondContact O-OG1 3.09Å; E70-T73 WeakPolarHBondContact O-CB 3.41Å; E70-T73 PolarHBondContact O-N 3Å; Q71-T73 VanDerWaalsContact C-N 3.28Å; Q71-T73 PolarHBondContact O-N 3.33Å; T73-V75 PolarHBondContact O-N 3.14Å; T73-V76 PolarHBondContact O-N 3.2Å; T73-C77 WeakPolarHBondContact O-CB 3.32Å; T73-C77 PolarHBondContact O-N 3.04Å; T73-L123 HydrophobicContact CG2-CD1 3.35Å; T73-L123 VanDerWaalsContact OG1-CD1 3.29Å; T73-L123 WeakPolarHBondContact OG1-CD1 3.45Å
74S86.9Confident80.1Confident55 Ų5548.4 Ų48.439%0.38528%0.276SS..Hα-helixtrans-58.2-47.8176.9173.10000110.9E70 Q71 V76 C77 D78E70-S74 PolarHBondContact O-N 3.3Å; Q71-S74 PolarHBondContact O-N 3.1Å; S74-V76 VanDerWaalsContact C-N 3.35Å; S74-V76 PolarHBondContact O-N 3.18Å; S74-C77 PolarHBondContact O-N 3.47Å; S74-D78 WeakPolarHBondContact CA-OD2 3.29Å; S74-D78 WeakPolarHBondContact O-CA 3.44Å; S74-D78 WeakPolarHBondContact O-CB 3.37Å; S74-D78 PolarHBondContact O-N 3.36Å; S74-D78 PolarHBondContact OG-OD2 2.97Å
75V87.4Confident79.7Confident5 Ų548.6 Ų48.63%0.0328%0.278CS..Iπ-helixtrans-60-43.6177.1175.80000112I20 I44 V47 L51 F58 Q71 I72 T73 N79 G80I20-V75 HydrophobicContact CD1-CG1 3.62Å; I44-V75 HydrophobicContact CG1-CG2 4.14Å; V47-V75 HydrophobicContact CB-CG2 4.41Å; V47-V75 HydrophobicContact CG1-CG1 4.42Å; V47-V75 HydrophobicContact CG2-CG2 4.22Å; L51-V75 HydrophobicContact CD1-CG1 4.08Å; F58-V75 HydrophobicContact CE1-CB 4Å; F58-V75 HydrophobicContact CE1-CG1 3.83Å; F58-V75 HydrophobicContact CE1-CG2 4.4Å; F58-V75 HydrophobicContact CZ-CB 3.85Å; F58-V75 HydrophobicContact CZ-CG1 3.61Å; Q71-V75 WeakPolarHBondContact O-CG2 2.97Å; Q71-V75 PolarHBondContact O-N 3.47Å; Q71-V75 VanDerWaalsContact O-N 3.13Å; I72-V75 PolarHBondContact O-N 3.43Å; T73-V75 PolarHBondContact O-N 3.14Å; V75-N79 WeakPolarHBondContact O-CA 3.46Å; V75-N79 WeakPolarHBondContact O-CB 3.25Å; V75-N79 PolarHBondContact O-N 3.03Å; V75-G80 PolarHBondContact O-N 2.88Å; V75-G80 VanDerWaalsContact O-N 3.08Å
76V85.9Confident79.8Confident3 Ų346.7 Ų46.72%0.01827%0.265CS..Iπ-helixtrans-68.6-43.1-179.1173.30000112.1F56 F58 I72 T73 S74 G80 K81 R82 S85 L123 F125F56-V76 HydrophobicContact CE2-CG2 4.36Å; F56-V76 HydrophobicContact CZ-CG2 4.45Å; F58-V76 HydrophobicContact CE2-CG2 3.68Å; F58-V76 HydrophobicContact CZ-CG2 3.85Å; I72-V76 HydrophobicContact CG2-CG2 4.38Å; I72-V76 WeakPolarHBondContact O-CG2 3.49Å; I72-V76 PolarHBondContact O-N 3.24Å; T73-V76 PolarHBondContact O-N 3.2Å; S74-V76 VanDerWaalsContact C-N 3.35Å; S74-V76 PolarHBondContact O-N 3.18Å; V76-G80 CarbonylContact O-C 3.57Å; V76-G80 PolarHBondContact O-N 3.25Å; V76-K81 PolarHBondContact O-N 3.21Å; V76-R82 WeakPolarHBondContact CG1-O 3.33Å; V76-S85 VanDerWaalsContact CG2-OG 3.28Å; V76-S85 WeakPolarHBondContact CG2-OG 3.36Å; V76-L123 HydrophobicContact CB-CD2 4.49Å; V76-L123 HydrophobicContact CG1-CD2 3.89Å; V76-F125 HydrophobicContact CG2-CE1 4.3Å
77C81.9Confident80Confident33 Ų3342.6 Ų42.622%0.22324%0.243CC..Iπ-helixtrans-76.1-43.8-178.6-75.50000113T73 S74T73-C77 WeakPolarHBondContact O-CB 3.32Å; T73-C77 PolarHBondContact O-N 3.04Å; S74-C77 PolarHBondContact O-N 3.47Å
78D77.4Confident80Confident97 Ų9739 Ų3952%0.51922%0.218SC..Iπ-helixtrans-86.4-39-170.2-53.9-28.9000110.9S74S74-D78 WeakPolarHBondContact CA-OD2 3.29Å; S74-D78 WeakPolarHBondContact O-CA 3.44Å; S74-D78 WeakPolarHBondContact O-CB 3.37Å; S74-D78 PolarHBondContact O-N 3.36Å; S74-D78 PolarHBondContact OG-OD2 2.97Å
79N69Low79.8Confident35 Ų3538.7 Ų38.719%0.18722%0.216CC..Iπ-helixtrans-107.8-32.4-173.9-59.3-31.2000113.9V47 L51 V52 V75V47-N79 PolarHBondContact O-ND2 2.7Å; L51-N79 CarbonylContact C-O 3.39Å; L51-N79 VanDerWaalsContact CA-O 3.31Å; L51-N79 WeakPolarHBondContact CA-O 3.5Å; L51-N79 HydrophobicContact CB-CB 4.21Å; L51-N79 WeakPolarHBondContact CB-O 3.42Å; L51-N79 HydrophobicContact CD1-CB 4.21Å; L51-N79 HydrophobicContact CG-CB 4.24Å; L51-N79 PolarHBondContact N-O 3.21Å; V52-N79 WeakPolarHBondContact CG2-O 3.36Å; V52-N79 PolarHBondContact N-O 3.33Å; V75-N79 WeakPolarHBondContact O-CA 3.46Å; V75-N79 WeakPolarHBondContact O-CB 3.25Å; V75-N79 PolarHBondContact O-N 3.03Å
80G64.6Low79Confident2 Ų240 Ų402%0.02122%0.224CC..Iπ-helixtrans-99.9-37.6-168.600000116.9V75 V76 R82V75-G80 PolarHBondContact O-N 2.88Å; V75-G80 VanDerWaalsContact O-N 3.08Å; V76-G80 CarbonylContact O-C 3.57Å; V76-G80 PolarHBondContact O-N 3.25Å; G80-R82 PolarHBondContact O-N 2.91Å
81K65.7Low78.1Confident167 Ų16739.9 Ų39.973%0.72623%0.226SC*.  trans44.141-170.6-66.4-177.6-178.41700114.2V76V76-K81 PolarHBondContact O-N 3.21Å
82R66.4Low77Confident99 Ų9936.6 Ų36.637%0.37421%0.21SC..  trans-113.2137178.3-78.2-174.6176.5-1661112.4N53 K54 V76 G80N53-R82 PolarHBondContact O-NH2 3.28Å; K54-R82 PolarHBondContact O-NH2 2.87Å; V76-R82 WeakPolarHBondContact CG1-O 3.33Å; G80-R82 PolarHBondContact O-N 2.91Å
83S59.1Low75.7Confident123 Ų12336.6 Ų36.686%0.8621%0.211SC*.SBendtrans-83.7128161.853.90000109.6
84G62.4Low74.5Confident44 Ų4437.5 Ų37.545%0.45422%0.216SC..SBendtrans90.647.3174.800000115.2T124G84-T124 WeakPolarHBondContact CA-O 3.48Å; G84-T124 PolarHBondContact N-O 3.06Å
85S75.1Confident73.2Confident8 Ų836.7 Ų36.76%0.05622%0.216CC..EExtended strand (participates in β ladder)trans-65.2134.9174.6-62.10000110.9V76 K126V76-S85 VanDerWaalsContact CG2-OG 3.28Å; V76-S85 WeakPolarHBondContact CG2-OG 3.36Å; S85-K126 PolarHBondContact O-N 2.85Å
86L86.4Confident72Confident30 Ų3038 Ų3816%0.15722%0.223CC..EExtended strand (participates in β ladder)trans-83.2125.7174.4-177.361.2000109.6F16 I57 F58 L88 K126 E128F16-L86 HydrophobicContact CE2-CD2 4.32Å; F16-L86 HydrophobicContact CZ-CD2 3.82Å; I57-L86 HydrophobicContact CD1-CD2 3.69Å; I57-L86 HydrophobicContact CD1-CG 4.07Å; I57-L86 HydrophobicContact CG1-CB 4.39Å; I57-L86 HydrophobicContact CG1-CD2 4.43Å; I57-L86 HydrophobicContact CG1-CG 4.32Å; F58-L86 PolarHBondContact N-O 3.25Å; L86-L88 HydrophobicContact CD2-CD2 4.44Å; L86-L88 HydrophobicContact CG-CD2 4.5Å; L86-K126 CarbonylContact C-O 3.58Å; L86-K126 WeakPolarHBondContact CA-O 3.19Å; L86-K126 HydrophobicContact CD1-CB 4.17Å; L86-K126 HydrophobicContact CD1-CD 4.16Å; L86-K126 HydrophobicContact CD1-CG 3.98Å; L86-K126 WeakPolarHBondContact CD1-O 3.18Å; L86-E128 HydrophobicContact CD1-CB 3.93Å
87I88.8Confident70.8Confident0 Ų041.6 Ų41.60%025%0.247CC..EExtended strand (participates in β ladder)trans-113.3114172.9-55.3172.1000107.5F58 V60 F64 I72 S89 F125 K126 I127 E128F58-I87 HydrophobicContact CB-CB 4.43Å; F58-I87 HydrophobicContact CB-CG1 4.18Å; F58-I87 HydrophobicContact CB-CG2 4.21Å; F58-I87 HydrophobicContact CD2-CG1 4.19Å; V60-I87 HydrophobicContact CB-CG2 4.05Å; V60-I87 HydrophobicContact CG2-CG2 3.7Å; F64-I87 HydrophobicContact CE1-CD1 4.32Å; F64-I87 HydrophobicContact CE1-CG2 4.23Å; F64-I87 HydrophobicContact CZ-CG2 3.99Å; I72-I87 HydrophobicContact CD1-CD1 4.14Å; I72-I87 HydrophobicContact CG2-CD1 4.23Å; I87-S89 PolarHBondContact O-N 3.08Å; I87-F125 HydrophobicContact CD1-CB 3.94Å; I87-F125 HydrophobicContact CD1-CD1 3.86Å; I87-F125 HydrophobicContact CD1-CD2 4.49Å; I87-F125 HydrophobicContact CD1-CE1 4.49Å; I87-F125 HydrophobicContact CD1-CG 3.86Å; I87-K126 PolarHBondContact N-O 2.87Å; I87-I127 HydrophobicContact CB-CG1 4.26Å; I87-I127 HydrophobicContact CD1-CG1 4.29Å; I87-I127 WeakPolarHBondContact O-CA 3.42Å; I87-E128 PolarHBondContact O-N 3.35Å
88L88.3Confident70.3Confident0 Ų049 Ų490%028%0.279CS..EExtended strand (participates in β ladder)trans-81.1110.1167.6-66.5177000108.1L9 K12 L13 I57 F58 I59 V60 L86 E128 I130L9-L88 HydrophobicContact CD1-CD1 3.91Å; K12-L88 HydrophobicContact CB-CD1 4.21Å; K12-L88 HydrophobicContact CD-CD2 3.98Å; L13-L88 HydrophobicContact CD2-CD1 4.25Å; I57-L88 HydrophobicContact CD1-CD1 3.27Å; I57-L88 HydrophobicContact CD1-CD2 4.23Å; I57-L88 HydrophobicContact CD1-CG 3.52Å; I57-L88 HydrophobicContact CG1-CD1 3.95Å; I57-L88 HydrophobicContact CG1-CG 3.96Å; F58-L88 PolarHBondContact O-N 2.92Å; I59-L88 CarbonylContact C-O 3.6Å; I59-L88 VanDerWaalsContact CA-O 3.31Å; I59-L88 WeakPolarHBondContact CA-O 3.49Å; I59-L88 HydrophobicContact CG1-CB 4.27Å; I59-L88 HydrophobicContact CG1-CD1 4.37Å; V60-L88 PolarHBondContact N-O 3.29Å; L86-L88 HydrophobicContact CD2-CD2 4.44Å; L86-L88 HydrophobicContact CG-CD2 4.5Å; L88-E128 WeakPolarHBondContact CA-O 3.48Å; L88-E128 HydrophobicContact CD2-CB 4.1Å; L88-E128 HydrophobicContact CD2-CG 4.36Å; L88-I130 HydrophobicContact CB-CD1 3.56Å; L88-I130 HydrophobicContact CB-CG1 3.99Å; L88-I130 HydrophobicContact CD1-CD1 3.81Å; L88-I130 HydrophobicContact CD2-CD1 3.85Å; L88-I130 HydrophobicContact CD2-CG1 3.98Å; L88-I130 HydrophobicContact CG-CD1 3.89Å; L88-I130 HydrophobicContact CG-CG1 4.42Å
89S84.6Confident70.1Confident0 Ų046.4 Ų46.40%027%0.265CS..EExtended strand (participates in β ladder)trans-113.1134.5-177.3-172.50000111.5V60 I87 V91 E128 F129 I130V60-S89 CarbonylContact O-C 3.59Å; V60-S89 VanDerWaalsContact O-CA 3.28Å; V60-S89 WeakPolarHBondContact O-CA 3.27Å; I87-S89 PolarHBondContact O-N 3.08Å; S89-V91 WeakPolarHBondContact CB-O 3.27Å; S89-V91 PolarHBondContact OG-N 2.8Å; S89-V91 PolarHBondContact OG-O 3.09Å; S89-E128 PolarHBondContact N-O 3.01Å; S89-F129 CarbonylContact O-C 3.12Å; S89-F129 VanDerWaalsContact O-CA 3.31Å; S89-F129 WeakPolarHBondContact O-CA 3.04Å; S89-F129 VanDerWaalsContact O-CD2 3.31Å; S89-F129 WeakPolarHBondContact O-CD2 3.31Å; S89-I130 PolarHBondContact O-N 3.36Å
90T73Confident70.6Confident27 Ų2745.1 Ų45.117%0.16626%0.257CS..SBendtrans-87.34.3163.778.90000112V60 S61 F129V60-T90 PolarHBondContact O-N 3.34Å; S61-T90 VanDerWaalsContact CA-OG1 3.31Å; S61-T90 WeakPolarHBondContact CA-OG1 3.48Å; T90-F129 VanDerWaalsContact O-CE2 3.23Å; T90-F129 WeakPolarHBondContact O-CE2 3.32Å
91V70.4Confident71.1Confident34 Ų3451.5 Ų51.521%0.20629%0.285CS..SBendtrans-119.8130.9175.5-173.50000110.5S61 S89 A93 F129S61-V91 WeakPolarHBondContact O-CG2 3.07Å; S89-V91 WeakPolarHBondContact CB-O 3.27Å; S89-V91 PolarHBondContact OG-N 2.8Å; S89-V91 PolarHBondContact OG-O 3.09Å; V91-A93 PolarHBondContact O-N 3.36Å; V91-F129 VanDerWaalsContact C-CD2 3.47Å
92E67.7Low71.1Confident2 Ų246 Ų461%0.00926%0.263CS..  trans-68.9129.1-176.7-162.2176.8148.900110.9T94 G95 Y108 Y111 F129 Y162 A196E92-T94 VanDerWaalsContact C-N 3.29Å; E92-T94 HydrophobicContact CG-CG2 4.41Å; E92-T94 VanDerWaalsContact CG-OG1 3.31Å; E92-T94 WeakPolarHBondContact CG-OG1 3.45Å; E92-T94 PolarHBondContact O-N 3.37Å; E92-T94 PolarHBondContact OE1-OG1 3.05Å; E92-G95 PolarHBondContact O-N 3.22Å; E92-Y108 HydrophobicContact CG-CE2 4.41Å; E92-Y108 WeakPolarHBondContact OE1-CE2 3.43Å; E92-Y111 VanDerWaalsContact CD-OH 3.27Å; E92-Y111 HydrophobicContact CG-CE2 4.36Å; E92-Y111 WeakPolarHBondContact CG-OH 3.5Å; E92-Y111 PolarHBondContact OE1-OH 2.85Å; E92-F129 HydrophobicContact CB-CD2 4.28Å; E92-F129 HydrophobicContact CB-CE2 4.23Å; E92-F129 VanDerWaalsContact N-CE2 3.3Å; E92-Y162 HydrophobicContact CB-CD1 3.65Å; E92-Y162 HydrophobicContact CB-CE1 3.64Å; E92-Y162 HydrophobicContact CG-CD1 4.36Å; E92-Y162 HydrophobicContact CG-CE1 4.08Å; E92-Y162 WeakPolarHBondContact OE2-CD1 3.09Å; E92-Y162 WeakPolarHBondContact OE2-CE1 3.49Å; E92-A196 VanDerWaalsContact OE1-CB 3.26Å; E92-A196 WeakPolarHBondContact OE1-CB 3.48Å; E92-A196 WeakPolarHBondContact OE2-CB 3.01Å
93A62.1Low70.8Confident1 Ų144.2 Ų44.21%0.00826%0.264CS..G310 helixtrans-66.5-31-178.100000112.9F64 V91 G95 N96 F100 Y111 I127F64-A93 HydrophobicContact CE2-CB 4.47Å; V91-A93 PolarHBondContact O-N 3.36Å; A93-G95 PolarHBondContact O-N 2.86Å; A93-N96 PolarHBondContact O-N 3.33Å; A93-F100 HydrophobicContact CB-CD2 4.33Å; A93-F100 HydrophobicContact CB-CE2 4.15Å; A93-Y111 HydrophobicContact CB-CD2 4.44Å; A93-I127 HydrophobicContact CB-CD1 3.69Å; A93-I127 HydrophobicContact CB-CG2 4.29Å
94T61.1Low70.4Confident22 Ų2248.1 Ų48.114%0.13527%0.268CS..G310 helixtrans-61.6-28.7-179.562.30000113E92 N96 C97 L102 Y111E92-T94 VanDerWaalsContact C-N 3.29Å; E92-T94 HydrophobicContact CG-CG2 4.41Å; E92-T94 VanDerWaalsContact CG-OG1 3.31Å; E92-T94 WeakPolarHBondContact CG-OG1 3.45Å; E92-T94 PolarHBondContact O-N 3.37Å; E92-T94 PolarHBondContact OE1-OG1 3.05Å; T94-N96 PolarHBondContact O-N 2.72Å; T94-C97 PolarHBondContact O-N 3.39Å; T94-L102 HydrophobicContact CG2-CD1 4.41Å; T94-Y111 HydrophobicContact CG2-CD1 4.13Å; T94-Y111 HydrophobicContact CG2-CE1 3.4Å
95G60.2Low70Confident38 Ų3851.1 Ų51.139%0.39228%0.277SS..G310 helixtrans-66.2-12.8173.800000114.2E92 A93 Y162E92-G95 PolarHBondContact O-N 3.22Å; A93-G95 PolarHBondContact O-N 2.86Å; G95-Y162 WeakPolarHBondContact CA-OH 3.37Å; G95-Y162 PolarHBondContact N-OH 3.36Å
96N62.8Low69.1Low34 Ų3453.8 Ų53.818%0.18229%0.291CS..G310 helixtrans-117.434.8178.3-55.7-61.5000111.2F64 A93 T94 E98 L99 F100F64-N96 HydrophobicContact CB-CB 4.29Å; F64-N96 PolarHBondContact N-ND2 2.71Å; A93-N96 PolarHBondContact O-N 3.33Å; T94-N96 PolarHBondContact O-N 2.72Å; N96-E98 PolarHBondContact O-N 3.4Å; N96-L99 HydrophobicContact CB-CD1 4.26Å; N96-L99 WeakPolarHBondContact O-CB 3.43Å; N96-L99 PolarHBondContact O-N 3.11Å; N96-F100 HydrophobicContact CB-CD2 4.34Å; N96-F100 HydrophobicContact CB-CE2 4.37Å; N96-F100 PolarHBondContact O-N 3.08Å
97C60.2Low68.1Low77 Ų7758.6 Ų58.652%0.5231%0.313SS..THydrogen-bonded Turntrans-55.6-22.8-174.964.80000114.4T94 L99 L102T94-C97 PolarHBondContact O-N 3.39Å; C97-L99 VanDerWaalsContact C-N 3.27Å; C97-L99 PolarHBondContact O-N 3.13Å; C97-L102 HydrophobicContact CB-CD1 4.27Å
98E70.7Confident67Low190 Ų19059 Ų5989%0.88831%0.314SS*.THydrogen-bonded Turntrans-68.5-26.5174.8-61.8-175172.100113N96N96-E98 PolarHBondContact O-N 3.4Å
99L74.8Confident66.2Low41 Ų4160.2 Ų60.222%0.21532%0.322CS..THydrogen-bonded Turntrans-88.7-25.1179.7-58.9-177.8000112.7F64 N66 L69 N96 C97F64-L99 HydrophobicContact CB-CD1 4.36Å; F64-L99 WeakPolarHBondContact O-CD1 3.1Å; N66-L99 WeakPolarHBondContact OD1-CD2 3.33Å; L69-L99 HydrophobicContact CD1-CB 3.94Å; L69-L99 HydrophobicContact CD1-CD1 4Å; N96-L99 HydrophobicContact CB-CD1 4.26Å; N96-L99 WeakPolarHBondContact O-CB 3.43Å; N96-L99 PolarHBondContact O-N 3.11Å; C97-L99 VanDerWaalsContact C-N 3.27Å; C97-L99 PolarHBondContact O-N 3.13Å
100F79.5Confident66Low8 Ų863.2 Ų63.24%0.03534%0.336CS..SBendtrans-117.1135-173.4-66.5-61.3000111.7F64 L69 A93 N96 L102 V113 I127F64-F100 HydrophobicContact CB-CE2 3.8Å; F64-F100 HydrophobicContact CB-CZ 3.99Å; F64-F100 HydrophobicContact CD1-CE2 4.22Å; F64-F100 AromaticContact CD1-CZ 3.69Å; F64-F100 HydrophobicContact CD1-CZ 3.69Å; F64-F100 AromaticContact CD2-CE2 3.79Å; F64-F100 HydrophobicContact CD2-CE2 3.79Å; F64-F100 HydrophobicContact CD2-CZ 4.06Å; F64-F100 HydrophobicContact CE1-CZ 4.14Å; F64-F100 HydrophobicContact CE2-CE2 4.41Å; F64-F100 HydrophobicContact CE2-CZ 4.48Å; F64-F100 AromaticContact CG-CE2 3.66Å; F64-F100 HydrophobicContact CG-CE2 3.66Å; F64-F100 AromaticContact CG-CZ 3.63Å; F64-F100 HydrophobicContact CG-CZ 3.63Å; L69-F100 HydrophobicContact CD1-CE1 4.11Å; L69-F100 HydrophobicContact CD1-CZ 4.16Å; L69-F100 HydrophobicContact CD2-CE1 3.67Å; L69-F100 HydrophobicContact CD2-CZ 3.66Å; L69-F100 HydrophobicContact CG-CZ 4.5Å; A93-F100 HydrophobicContact CB-CD2 4.33Å; A93-F100 HydrophobicContact CB-CE2 4.15Å; N96-F100 HydrophobicContact CB-CD2 4.34Å; N96-F100 HydrophobicContact CB-CE2 4.37Å; N96-F100 PolarHBondContact O-N 3.08Å; F100-L102 PolarHBondContact O-N 2.95Å; F100-V113 HydrophobicContact CB-CB 4.08Å; F100-V113 HydrophobicContact CB-CG1 4.25Å; F100-V113 HydrophobicContact CD1-CB 3.73Å; F100-V113 HydrophobicContact CD1-CG1 4.38Å; F100-V113 HydrophobicContact CD1-CG2 3.5Å; F100-V113 HydrophobicContact CE1-CB 4.33Å; F100-V113 HydrophobicContact CE1-CG2 3.6Å; F100-V113 HydrophobicContact CG-CB 4Å; F100-V113 HydrophobicContact CG-CG1 4.22Å; F100-V113 HydrophobicContact CG-CG2 4.16Å; F100-V113 HydrophobicContact CZ-CG2 4.32Å; F100-I127 HydrophobicContact CE1-CD1 4.15Å; F100-I127 HydrophobicContact CE2-CD1 4.1Å; F100-I127 HydrophobicContact CZ-CD1 3.68Å
101K74.6Confident66.3Low137 Ų13762.2 Ų62.260%0.59633%0.329SS*.BIsolated β-bridgetrans-80.3113.3160.1-64.9-179.1-177.9178.60108.3Q114K101-Q114 HydrophobicContact CB-CB 4.2Å; K101-Q114 PolarHBondContact N-O 3.17Å; K101-Q114 PolarHBondContact O-N 3.2Å; K101-Q114 VanDerWaalsContact O-N 3.09Å
102L65.2Low66.9Low52 Ų5266.3 Ų66.327%0.27235%0.346SS..  trans-91.5137.9174.9-72.7160.2000110.3T94 C97 F100 Y111 V113T94-L102 HydrophobicContact CG2-CD1 4.41Å; C97-L102 HydrophobicContact CB-CD1 4.27Å; F100-L102 PolarHBondContact O-N 2.95Å; L102-Y111 HydrophobicContact CD2-CD1 4.39Å; L102-V113 HydrophobicContact CD2-CG1 3.67Å
103P59.4Low67.6Low60 Ų6066.2 Ų66.239%0.3935%0.346SS..  trans-64.5158.2169.626.5-32.2000111.2V105 E112P103-V105 PolarHBondContact O-N 3.48Å; P103-V105 VanDerWaalsContact O-N 3.13Å; P103-E112 WeakPolarHBondContact CD-O 3.42Å
104H51.7Low68.7Low206 Ų20670 Ų7095%0.95436%0.363SS*.SBendtrans-61.5-20.9178.6-71.6-60.6000113.8
105V53.2Low69.9Low106 Ų10669.3 Ų69.364%0.64236%0.358SS*.SBendtrans-102.997.5176.4-173.30000107.5P103 E107P103-V105 PolarHBondContact O-N 3.48Å; P103-V105 VanDerWaalsContact O-N 3.13Å; V105-E107 HydrophobicContact CG1-CG 4.33Å; V105-E107 PolarHBondContact O-N 2.85Å; V105-E107 VanDerWaalsContact O-N 3.1Å
106N57.1Low71.2Confident64 Ų6471.8 Ų71.834%0.34236%0.362SS..  trans-76.793.8170.8-70.1-33.6000108.2
107E65.1Low72.3Confident132 Ų13270.3 Ų70.362%0.61736%0.355SS*.  trans-63.9139160.2-67.1-176.4-177.900107.8V105 E110 Y111V105-E107 HydrophobicContact CG1-CG 4.33Å; V105-E107 PolarHBondContact O-N 2.85Å; V105-E107 VanDerWaalsContact O-N 3.1Å; E107-E110 CarbonylContact C-O 3.51Å; E107-E110 WeakPolarHBondContact CB-O 3.39Å; E107-Y111 VanDerWaalsContact O-CD1 3.27Å; E107-Y111 WeakPolarHBondContact O-CD1 3.5Å; E107-Y111 WeakPolarHBondContact O-CE1 3.35Å
108Y66.2Low73.5Confident9 Ų974.4 Ų74.44%0.03536%0.363CS..SBendtrans-134.2126.5177.8-171.4-72.5000105.8E92 Y111 F131 N165 W169 N199 R200 S203E92-Y108 HydrophobicContact CG-CE2 4.41Å; E92-Y108 WeakPolarHBondContact OE1-CE2 3.43Å; Y108-Y111 HydrophobicContact CD2-CE1 4.3Å; Y108-Y111 AromaticContact CD2-CZ 3.71Å; Y108-Y111 WeakPolarHBondContact CD2-OH 3.02Å; Y108-Y111 WeakPolarHBondContact CE2-OH 3.5Å; Y108-F131 HydrophobicContact CD1-CZ 4.46Å; Y108-F131 AromaticContact CE1-CE1 3.96Å; Y108-F131 HydrophobicContact CE1-CE1 3.96Å; Y108-F131 AromaticContact CE1-CZ 3.47Å; Y108-F131 HydrophobicContact CE1-CZ 3.47Å; Y108-F131 VanDerWaalsContact CE1-CZ 3.47Å; Y108-F131 AromaticContact CZ-CZ 3.87Å; Y108-F131 WeakPolarHBondContact OH-CE1 3.14Å; Y108-N165 PolarHBondContact OH-ND2 3.32Å; Y108-N165 VanDerWaalsContact OH-ND2 3.09Å; Y108-W169 AromaticContact CD1-CD2 3.81Å; Y108-W169 HydrophobicContact CD1-CD2 3.81Å; Y108-W169 AromaticContact CD1-CE3 3.3Å; Y108-W169 HydrophobicContact CD1-CE3 3.3Å; Y108-W169 AromaticContact CD1-CH2 3.54Å; Y108-W169 HydrophobicContact CD1-CH2 3.54Å; Y108-W169 AromaticContact CD1-CZ2 3.95Å; Y108-W169 HydrophobicContact CD1-CZ2 3.95Å; Y108-W169 AromaticContact CD1-CZ3 3.2Å; Y108-W169 HydrophobicContact CD1-CZ3 3.2Å; Y108-W169 AromaticContact CE1-CD2 3.42Å; Y108-W169 HydrophobicContact CE1-CD2 3.42Å; Y108-W169 VanDerWaalsContact CE1-CD2 3.42Å; Y108-W169 AromaticContact CE1-CE3 3.13Å; Y108-W169 HydrophobicContact CE1-CE3 3.13Å; Y108-W169 HydrophobicContact CE1-CG 4.03Å; Y108-W169 HydrophobicContact CE1-CH2 4.19Å; Y108-W169 HydrophobicContact CE1-CZ2 4.37Å; Y108-W169 AromaticContact CE1-CZ3 3.61Å; Y108-W169 HydrophobicContact CE1-CZ3 3.61Å; Y108-W169 HydrophobicContact CG-CZ3 4.27Å; Y108-W169 WeakPolarHBondContact O-CH2 3.32Å; Y108-N199 HydrophobicContact CD2-CB 4.39Å; Y108-R200 HydrophobicContact CE1-CB 4.47Å; Y108-S203 PolarHBondContact O-OG 2.78Å; Y108-S203 VanDerWaalsContact O-OG 3.11Å
109P71.8Confident74.1Confident25 Ų2570.6 Ų70.616%0.16235%0.349CS..SBendcis-100.310.219.240.9-33.6000114.4F129 F131 W169P109-F129 HydrophobicContact CB-CB 4.43Å; P109-F129 PolarHBondContact O-N 3.11Å; P109-F131 HydrophobicContact CB-CE2 3.35Å; P109-F131 HydrophobicContact CB-CZ 3.43Å; P109-F131 VanDerWaalsContact CB-CZ 3.43Å; P109-F131 HydrophobicContact CG-CE2 3.85Å; P109-F131 HydrophobicContact CG-CZ 4.35Å; P109-W169 HydrophobicContact CB-CZ2 4.2Å; P109-W169 VanDerWaalsContact CD-CZ2 3.49Å; P109-W169 HydrophobicContact CG-CZ2 3.87Å
110E79.3Confident74.5Confident63 Ų6374.9 Ų74.929%0.29437%0.372SS..EExtended strand (participates in β ladder)trans-104.5129.5-179.7-67-179.8-16200110.2E107 K126 I127 E128E107-E110 CarbonylContact C-O 3.51Å; E107-E110 WeakPolarHBondContact CB-O 3.39Å; E110-K126 WeakPolarHBondContact OE2-CE 3.5Å; E110-K126 IonicContact OE2-NZ 2.62Å; E110-K126 PolarHBondContact OE2-NZ 3.16Å; E110-I127 CarbonylContact C-O 3.57Å; E110-I127 WeakPolarHBondContact CA-O 3.28Å; E110-E128 HydrophobicContact CG-CB 4.2Å; E110-E128 HydrophobicContact CG-CG 3.93Å
111Y79Confident74.7Confident5 Ų578.6 Ų78.62%0.0239%0.389CS..EExtended strand (participates in β ladder)trans-121.9136179.3-50.1-90.4000109.5E92 A93 T94 L102 E107 Y108 K126 I127 F129E92-Y111 VanDerWaalsContact CD-OH 3.27Å; E92-Y111 HydrophobicContact CG-CE2 4.36Å; E92-Y111 WeakPolarHBondContact CG-OH 3.5Å; E92-Y111 PolarHBondContact OE1-OH 2.85Å; A93-Y111 HydrophobicContact CB-CD2 4.44Å; T94-Y111 HydrophobicContact CG2-CD1 4.13Å; T94-Y111 HydrophobicContact CG2-CE1 3.4Å; L102-Y111 HydrophobicContact CD2-CD1 4.39Å; E107-Y111 VanDerWaalsContact O-CD1 3.27Å; E107-Y111 WeakPolarHBondContact O-CD1 3.5Å; E107-Y111 WeakPolarHBondContact O-CE1 3.35Å; Y108-Y111 HydrophobicContact CD2-CE1 4.3Å; Y108-Y111 AromaticContact CD2-CZ 3.71Å; Y108-Y111 WeakPolarHBondContact CD2-OH 3.02Å; Y108-Y111 WeakPolarHBondContact CE2-OH 3.5Å; Y111-K126 CarbonylContact O-C 3.57Å; Y111-K126 WeakPolarHBondContact O-CA 3.38Å; Y111-I127 PolarHBondContact N-O 2.92Å; Y111-I127 PolarHBondContact O-N 3.29Å; Y111-F129 HydrophobicContact CE2-CB 4.49Å
112E82.9Confident75.2Confident121 Ų12176.8 Ų76.857%0.56539%0.385SS*.EExtended strand (participates in β ladder)trans-92.3122.9158.5-167.3172.4-166.800107.9P103 T124 F125P103-E112 WeakPolarHBondContact CD-O 3.42Å; E112-T124 HydrophobicContact CG-CG2 3.51Å; E112-T124 WeakPolarHBondContact OE1-CG2 3.3Å; E112-F125 WeakPolarHBondContact CA-O 3.46Å
113V83.2Confident76.1Confident0 Ų075.2 Ų75.20%038%0.376CS..EExtended strand (participates in β ladder)trans-124.5146179.7-57.70000110.6F100 L102 T124 F125 I127F100-V113 HydrophobicContact CB-CB 4.08Å; F100-V113 HydrophobicContact CB-CG1 4.25Å; F100-V113 HydrophobicContact CD1-CB 3.73Å; F100-V113 HydrophobicContact CD1-CG1 4.38Å; F100-V113 HydrophobicContact CD1-CG2 3.5Å; F100-V113 HydrophobicContact CE1-CB 4.33Å; F100-V113 HydrophobicContact CE1-CG2 3.6Å; F100-V113 HydrophobicContact CG-CB 4Å; F100-V113 HydrophobicContact CG-CG1 4.22Å; F100-V113 HydrophobicContact CG-CG2 4.16Å; F100-V113 HydrophobicContact CZ-CG2 4.32Å; L102-V113 HydrophobicContact CD2-CG1 3.67Å; V113-T124 WeakPolarHBondContact O-CA 3.31Å; V113-F125 HydrophobicContact CG2-CB 3.83Å; V113-F125 HydrophobicContact CG2-CD2 4.32Å; V113-F125 PolarHBondContact N-O 3.21Å; V113-F125 PolarHBondContact O-N 3.06Å; V113-I127 HydrophobicContact CG1-CD1 4.19Å; V113-I127 HydrophobicContact CG2-CD1 3.5Å; V113-I127 VanDerWaalsContact CG2-CD1 3.5Å; V113-I127 HydrophobicContact CG2-CG1 3.89Å
114Q85.9Confident77.4Confident80 Ų8074.3 Ų74.337%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-108.5132.2171.4-65.5178.5-1.600110.5K101 L122 L123K101-Q114 HydrophobicContact CB-CB 4.2Å; K101-Q114 PolarHBondContact N-O 3.17Å; K101-Q114 PolarHBondContact O-N 3.2Å; K101-Q114 VanDerWaalsContact O-N 3.09Å; Q114-L122 HydrophobicContact CB-CD1 4.09Å; Q114-L123 CarbonylContact C-O 3.52Å; Q114-L123 VanDerWaalsContact CA-O 3.32Å; Q114-L123 WeakPolarHBondContact CA-O 3.34Å
115Y85.7Confident79Confident8 Ų864.6 Ų64.63%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-121.1132.9176.1176.5-114.6000110L69 E70 L123 F125L69-Y115 HydrophobicContact CB-CD1 4.24Å; L69-Y115 HydrophobicContact CB-CD2 4.39Å; L69-Y115 HydrophobicContact CB-CE1 3.77Å; L69-Y115 HydrophobicContact CB-CE2 3.95Å; L69-Y115 HydrophobicContact CD1-CD2 3.73Å; L69-Y115 HydrophobicContact CD1-CE2 3.62Å; L69-Y115 HydrophobicContact CD1-CG 4.38Å; L69-Y115 HydrophobicContact CG-CE2 4.39Å; E70-Y115 PolarHBondContact OE1-OH 3.15Å; E70-Y115 VanDerWaalsContact OE1-OH 3.09Å; Y115-L123 HydrophobicContact CD1-CD1 4.41Å; Y115-L123 PolarHBondContact N-O 3.02Å; Y115-L123 PolarHBondContact O-N 2.96Å; Y115-F125 HydrophobicContact CD1-CE2 4.23Å; Y115-F125 HydrophobicContact CG-CE2 4.34Å
116L87.4Confident80.5Confident89 Ų8963.8 Ų63.847%0.46631%0.313SS..EExtended strand (participates in β ladder)trans-101109172.1-174.967.9000108.4L122L116-L122 HydrophobicContact CD1-CB 4.49Å
117S85.7Confident81.9Confident4 Ų460.7 Ų60.73%0.02830%0.296CS..  trans-67.8164.2176.460.90000112.5D119 N120 K121S117-D119 PolarHBondContact O-N 3.15Å; S117-D119 VanDerWaalsContact O-N 3.16Å; S117-N120 WeakPolarHBondContact O-CA 3.48Å; S117-N120 PolarHBondContact O-N 2.92Å; S117-K121 PolarHBondContact N-O 2.71Å; S117-K121 WeakPolarHBondContact OG-CA 3.44Å; S117-K121 WeakPolarHBondContact OG-CB 3.44Å; S117-K121 PolarHBondContact OG-N 3.45Å; S117-K121 PolarHBondContact OG-O 2.97Å
118K84.7Confident82.8Confident162 Ų16255.9 Ų55.970%0.70427%0.274SS*.THydrogen-bonded Turntrans-53.8-30.4172.4-77.2168.5-174178.40113.8E70 N120E70-K118 HydrophobicContact CG-CD 4.24Å; E70-K118 WeakPolarHBondContact OE1-CB 3.47Å; E70-K118 WeakPolarHBondContact OE1-CG 3.5Å; E70-K118 PolarHBondContact OE1-N 3.3Å; K118-N120 PolarHBondContact O-N 3.43Å
119D84Confident83.3Confident111 Ų11155.7 Ų55.759%0.59427%0.273SS*.THydrogen-bonded Turntrans-81.810.9177.2-67.3-19.6000113.3S117 K121S117-D119 PolarHBondContact O-N 3.15Å; S117-D119 VanDerWaalsContact O-N 3.16Å; D119-K121 HydrophobicContact CB-CD 4.35Å; D119-K121 HydrophobicContact CB-CG 4.21Å; D119-K121 PolarHBondContact O-N 3.11Å; D119-K121 IonicContact OD2-NZ 3.7Å
120N83.9Confident83.4Confident130 Ų13054.7 Ų54.770%0.69527%0.267SS*.  trans59.321.7-173.8-61.2-57.3000114.4S117 K118S117-N120 WeakPolarHBondContact O-CA 3.48Å; S117-N120 PolarHBondContact O-N 2.92Å; K118-N120 PolarHBondContact O-N 3.43Å
121K83.3Confident82.7Confident87 Ų8752.7 Ų52.738%0.37826%0.257SS..  trans-82.5122.1171.1-56.6172.3-176157.30108.7S117 D119S117-K121 PolarHBondContact N-O 2.71Å; S117-K121 WeakPolarHBondContact OG-CA 3.44Å; S117-K121 WeakPolarHBondContact OG-CB 3.44Å; S117-K121 PolarHBondContact OG-N 3.45Å; S117-K121 PolarHBondContact OG-O 2.97Å; D119-K121 HydrophobicContact CB-CD 4.35Å; D119-K121 HydrophobicContact CB-CG 4.21Å; D119-K121 PolarHBondContact O-N 3.11Å; D119-K121 IonicContact OD2-NZ 3.7Å
122L84.9Confident81.6Confident98 Ų9854.3 Ų54.351%0.51327%0.269SS..EExtended strand (participates in β ladder)trans-83.9118.7173-173.169000109.1Q114 L116Q114-L122 HydrophobicContact CB-CD1 4.09Å; L116-L122 HydrophobicContact CD1-CB 4.49Å
123L84Confident80.1Confident19 Ų1949.5 Ų49.510%0.09925%0.248CC..EExtended strand (participates in β ladder)trans-113.1135.9179.2-70139.1000109.6T73 V76 Q114 Y115 F125T73-L123 HydrophobicContact CG2-CD1 3.35Å; T73-L123 VanDerWaalsContact OG1-CD1 3.29Å; T73-L123 WeakPolarHBondContact OG1-CD1 3.45Å; V76-L123 HydrophobicContact CB-CD2 4.49Å; V76-L123 HydrophobicContact CG1-CD2 3.89Å; Q114-L123 CarbonylContact C-O 3.52Å; Q114-L123 VanDerWaalsContact CA-O 3.32Å; Q114-L123 WeakPolarHBondContact CA-O 3.34Å; Y115-L123 HydrophobicContact CD1-CD1 4.41Å; Y115-L123 PolarHBondContact N-O 3.02Å; Y115-L123 PolarHBondContact O-N 2.96Å; L123-F125 HydrophobicContact CB-CE1 4.31Å; L123-F125 HydrophobicContact CB-CE2 3.82Å; L123-F125 HydrophobicContact CB-CZ 3.69Å; L123-F125 HydrophobicContact CD1-CZ 4.22Å; L123-F125 HydrophobicContact CD2-CZ 4.45Å; L123-F125 HydrophobicContact CG-CZ 4.33Å
124T85.5Confident78.4Confident42 Ų4250.3 Ų50.326%0.25825%0.253SS..EExtended strand (participates in β ladder)trans-103.9122.8170.7-53.70000108.7G84 E112 V113G84-T124 WeakPolarHBondContact CA-O 3.48Å; G84-T124 PolarHBondContact N-O 3.06Å; E112-T124 HydrophobicContact CG-CG2 3.51Å; E112-T124 WeakPolarHBondContact OE1-CG2 3.3Å; V113-T124 WeakPolarHBondContact O-CA 3.31Å
125F85.5Confident76.6Confident1 Ų148 Ų480%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-112.5138175.4-57.6-68.1000109.6I72 V76 I87 E112 V113 Y115 L123 I127I72-F125 HydrophobicContact CG2-CD1 4.49Å; I72-F125 HydrophobicContact CG2-CE1 3.74Å; I72-F125 HydrophobicContact CG2-CZ 3.97Å; V76-F125 HydrophobicContact CG2-CE1 4.3Å; I87-F125 HydrophobicContact CD1-CB 3.94Å; I87-F125 HydrophobicContact CD1-CD1 3.86Å; I87-F125 HydrophobicContact CD1-CD2 4.49Å; I87-F125 HydrophobicContact CD1-CE1 4.49Å; I87-F125 HydrophobicContact CD1-CG 3.86Å; E112-F125 WeakPolarHBondContact CA-O 3.46Å; V113-F125 HydrophobicContact CG2-CB 3.83Å; V113-F125 HydrophobicContact CG2-CD2 4.32Å; V113-F125 PolarHBondContact N-O 3.21Å; V113-F125 PolarHBondContact O-N 3.06Å; Y115-F125 HydrophobicContact CD1-CE2 4.23Å; Y115-F125 HydrophobicContact CG-CE2 4.34Å; L123-F125 HydrophobicContact CB-CE1 4.31Å; L123-F125 HydrophobicContact CB-CE2 3.82Å; L123-F125 HydrophobicContact CB-CZ 3.69Å; L123-F125 HydrophobicContact CD1-CZ 4.22Å; L123-F125 HydrophobicContact CD2-CZ 4.45Å; L123-F125 HydrophobicContact CG-CZ 4.33Å; F125-I127 HydrophobicContact CB-CG1 4.31Å
126K86.6Confident74.9Confident89 Ų8951 Ų5139%0.38726%0.258SS..EExtended strand (participates in β ladder)trans-90.9112.2161.7-171.8175.7-179.8-176.60106.7S85 L86 I87 E110 Y111S85-K126 PolarHBondContact O-N 2.85Å; L86-K126 CarbonylContact C-O 3.58Å; L86-K126 WeakPolarHBondContact CA-O 3.19Å; L86-K126 HydrophobicContact CD1-CB 4.17Å; L86-K126 HydrophobicContact CD1-CD 4.16Å; L86-K126 HydrophobicContact CD1-CG 3.98Å; L86-K126 WeakPolarHBondContact CD1-O 3.18Å; I87-K126 PolarHBondContact N-O 2.87Å; E110-K126 WeakPolarHBondContact OE2-CE 3.5Å; E110-K126 IonicContact OE2-NZ 2.62Å; E110-K126 PolarHBondContact OE2-NZ 3.16Å; Y111-K126 CarbonylContact O-C 3.57Å; Y111-K126 WeakPolarHBondContact O-CA 3.38Å
127I85.1Confident72.9Confident0 Ų046.9 Ų46.90%024%0.237CC..EExtended strand (participates in β ladder)trans-99.9118.2174.4-57.3179.5000107.6F64 I87 A93 F100 E110 Y111 V113 F125F64-I127 HydrophobicContact CE1-CD1 4.31Å; F64-I127 HydrophobicContact CE2-CD1 4.06Å; F64-I127 HydrophobicContact CZ-CD1 3.78Å; F64-I127 HydrophobicContact CZ-CG1 4.48Å; F64-I127 HydrophobicContact CZ-CG2 4.35Å; I87-I127 HydrophobicContact CB-CG1 4.26Å; I87-I127 HydrophobicContact CD1-CG1 4.29Å; I87-I127 WeakPolarHBondContact O-CA 3.42Å; A93-I127 HydrophobicContact CB-CD1 3.69Å; A93-I127 HydrophobicContact CB-CG2 4.29Å; F100-I127 HydrophobicContact CE1-CD1 4.15Å; F100-I127 HydrophobicContact CE2-CD1 4.1Å; F100-I127 HydrophobicContact CZ-CD1 3.68Å; E110-I127 CarbonylContact C-O 3.57Å; E110-I127 WeakPolarHBondContact CA-O 3.28Å; Y111-I127 PolarHBondContact N-O 2.92Å; Y111-I127 PolarHBondContact O-N 3.29Å; V113-I127 HydrophobicContact CG1-CD1 4.19Å; V113-I127 HydrophobicContact CG2-CD1 3.5Å; V113-I127 VanDerWaalsContact CG2-CD1 3.5Å; V113-I127 HydrophobicContact CG2-CG1 3.89Å; F125-I127 HydrophobicContact CB-CG1 4.31Å
128E85.4Confident71.3Confident30 Ų3046.9 Ų46.914%0.1424%0.236CC..EExtended strand (participates in β ladder)trans-105119169.9-179.9178.917200108.4K12 L86 I87 L88 S89 E110 I130K12-E128 WeakPolarHBondContact CE-OE1 3.32Å; K12-E128 IonicContact NZ-OE1 3.21Å; K12-E128 PolarHBondContact NZ-OE1 3.08Å; L86-E128 HydrophobicContact CD1-CB 3.93Å; I87-E128 PolarHBondContact O-N 3.35Å; L88-E128 WeakPolarHBondContact CA-O 3.48Å; L88-E128 HydrophobicContact CD2-CB 4.1Å; L88-E128 HydrophobicContact CD2-CG 4.36Å; S89-E128 PolarHBondContact N-O 3.01Å; E110-E128 HydrophobicContact CG-CB 4.2Å; E110-E128 HydrophobicContact CG-CG 3.93Å; E128-I130 PolarHBondContact O-N 2.99Å
129F76.8Confident70.6Confident5 Ų545.3 Ų45.32%0.02223%0.229CC..EExtended strand (participates in β ladder)trans-74.5121.6175.6-174.7-98.9000109.9S89 T90 V91 E92 P109 Y111 F131S89-F129 CarbonylContact O-C 3.12Å; S89-F129 VanDerWaalsContact O-CA 3.31Å; S89-F129 WeakPolarHBondContact O-CA 3.04Å; S89-F129 VanDerWaalsContact O-CD2 3.31Å; S89-F129 WeakPolarHBondContact O-CD2 3.31Å; T90-F129 VanDerWaalsContact O-CE2 3.23Å; T90-F129 WeakPolarHBondContact O-CE2 3.32Å; V91-F129 VanDerWaalsContact C-CD2 3.47Å; E92-F129 HydrophobicContact CB-CD2 4.28Å; E92-F129 HydrophobicContact CB-CE2 4.23Å; E92-F129 VanDerWaalsContact N-CE2 3.3Å; P109-F129 HydrophobicContact CB-CB 4.43Å; P109-F129 PolarHBondContact O-N 3.11Å; Y111-F129 HydrophobicContact CE2-CB 4.49Å; F129-F131 AromaticContact CD1-CD1 3.62Å; F129-F131 HydrophobicContact CD1-CD1 3.62Å; F129-F131 HydrophobicContact CD1-CD2 4.25Å; F129-F131 AromaticContact CD1-CE1 3.22Å; F129-F131 HydrophobicContact CD1-CE1 3.22Å; F129-F131 AromaticContact CD1-CE2 3.86Å; F129-F131 HydrophobicContact CD1-CE2 3.86Å; F129-F131 HydrophobicContact CD1-CG 4.13Å; F129-F131 AromaticContact CD1-CZ 3.34Å; F129-F131 HydrophobicContact CD1-CZ 3.34Å; F129-F131 AromaticContact CE1-CD1 3.4Å; F129-F131 HydrophobicContact CE1-CD1 3.4Å; F129-F131 AromaticContact CE1-CE1 3.29Å; F129-F131 HydrophobicContact CE1-CE1 3.29Å; F129-F131 HydrophobicContact CE1-CG 4.15Å; F129-F131 AromaticContact CE1-CZ 3.94Å; F129-F131 HydrophobicContact CE1-CZ 3.94Å; F129-F131 HydrophobicContact CG-CZ 4.4Å; F129-F131 WeakPolarHBondContact O-CE2 3.41Å
130I73.7Confident70.3Confident5 Ų542.7 Ų42.73%0.02622%0.215CC..  trans-88.9118.6169.8-58.9-168.4000108.5L9 K12 L88 S89 E128 S132L9-I130 HydrophobicContact CD1-CD1 3.42Å; L9-I130 VanDerWaalsContact CD1-CD1 3.42Å; K12-I130 HydrophobicContact CD-CD1 4.13Å; K12-I130 HydrophobicContact CD-CG1 4.21Å; L88-I130 HydrophobicContact CB-CD1 3.56Å; L88-I130 HydrophobicContact CB-CG1 3.99Å; L88-I130 HydrophobicContact CD1-CD1 3.81Å; L88-I130 HydrophobicContact CD2-CD1 3.85Å; L88-I130 HydrophobicContact CD2-CG1 3.98Å; L88-I130 HydrophobicContact CG-CD1 3.89Å; L88-I130 HydrophobicContact CG-CG1 4.42Å; S89-I130 PolarHBondContact O-N 3.36Å; E128-I130 PolarHBondContact O-N 2.99Å; I130-S132 VanDerWaalsContact C-N 3.33Å; I130-S132 PolarHBondContact O-N 3.38Å
131F63.5Low70Confident20 Ų2036.5 Ų36.59%0.08818%0.182CC..  trans-70.791168-57-78.2000109.2Y108 P109 F129 T133 S166 W169Y108-F131 HydrophobicContact CD1-CZ 4.46Å; Y108-F131 AromaticContact CE1-CE1 3.96Å; Y108-F131 HydrophobicContact CE1-CE1 3.96Å; Y108-F131 AromaticContact CE1-CZ 3.47Å; Y108-F131 HydrophobicContact CE1-CZ 3.47Å; Y108-F131 VanDerWaalsContact CE1-CZ 3.47Å; Y108-F131 AromaticContact CZ-CZ 3.87Å; Y108-F131 WeakPolarHBondContact OH-CE1 3.14Å; P109-F131 HydrophobicContact CB-CE2 3.35Å; P109-F131 HydrophobicContact CB-CZ 3.43Å; P109-F131 VanDerWaalsContact CB-CZ 3.43Å; P109-F131 HydrophobicContact CG-CE2 3.85Å; P109-F131 HydrophobicContact CG-CZ 4.35Å; F129-F131 AromaticContact CD1-CD1 3.62Å; F129-F131 HydrophobicContact CD1-CD1 3.62Å; F129-F131 HydrophobicContact CD1-CD2 4.25Å; F129-F131 AromaticContact CD1-CE1 3.22Å; F129-F131 HydrophobicContact CD1-CE1 3.22Å; F129-F131 AromaticContact CD1-CE2 3.86Å; F129-F131 HydrophobicContact CD1-CE2 3.86Å; F129-F131 HydrophobicContact CD1-CG 4.13Å; F129-F131 AromaticContact CD1-CZ 3.34Å; F129-F131 HydrophobicContact CD1-CZ 3.34Å; F129-F131 AromaticContact CE1-CD1 3.4Å; F129-F131 HydrophobicContact CE1-CD1 3.4Å; F129-F131 AromaticContact CE1-CE1 3.29Å; F129-F131 HydrophobicContact CE1-CE1 3.29Å; F129-F131 HydrophobicContact CE1-CG 4.15Å; F129-F131 AromaticContact CE1-CZ 3.94Å; F129-F131 HydrophobicContact CE1-CZ 3.94Å; F129-F131 HydrophobicContact CG-CZ 4.4Å; F129-F131 WeakPolarHBondContact O-CE2 3.41Å; F131-T133 PolarHBondContact O-N 3.44Å; F131-T133 VanDerWaalsContact O-N 3.14Å; F131-S166 VanDerWaalsContact CD1-O 3.32Å; F131-S166 WeakPolarHBondContact CD1-O 3.5Å; F131-W169 HydrophobicContact CD1-CB 3.42Å; F131-W169 VanDerWaalsContact CD1-CB 3.42Å; F131-W169 AromaticContact CD1-CD1 3.67Å; F131-W169 AromaticContact CD1-CG 3.71Å; F131-W169 HydrophobicContact CD1-CG 3.71Å; F131-W169 HydrophobicContact CD2-CB 4.48Å; F131-W169 AromaticContact CD2-CD1 3.11Å; F131-W169 AromaticContact CD2-CG 3.94Å; F131-W169 HydrophobicContact CD2-CG 3.94Å; F131-W169 AromaticContact CD2-NE1 3.63Å; F131-W169 HydrophobicContact CE1-CB 3.12Å; F131-W169 AromaticContact CE1-CD1 3.46Å; F131-W169 VanDerWaalsContact CE1-CD1 3.46Å; F131-W169 HydrophobicContact CE1-CD2 4.09Å; F131-W169 AromaticContact CE1-CG 3.21Å; F131-W169 HydrophobicContact CE1-CG 3.21Å; F131-W169 HydrophobicContact CE2-CB 4.3Å; F131-W169 AromaticContact CE2-CD1 2.9Å; F131-W169 HydrophobicContact CE2-CD2 4.1Å; F131-W169 AromaticContact CE2-CE2 3.89Å; F131-W169 AromaticContact CE2-CG 3.51Å; F131-W169 HydrophobicContact CE2-CG 3.51Å; F131-W169 AromaticContact CE2-NE1 3.08Å; F131-W169 HydrophobicContact CG-CB 4.09Å; F131-W169 AromaticContact CG-CD1 3.51Å; F131-W169 HydrophobicContact CG-CG 4.04Å; F131-W169 HydrophobicContact CZ-CB 3.63Å; F131-W169 AromaticContact CZ-CD1 3.07Å; F131-W169 AromaticContact CZ-CD2 3.63Å; F131-W169 HydrophobicContact CZ-CD2 3.63Å; F131-W169 AromaticContact CZ-CE2 3.86Å; F131-W169 AromaticContact CZ-CG 3.1Å; F131-W169 HydrophobicContact CZ-CG 3.1Å; F131-W169 AromaticContact CZ-NE1 3.46Å
132S55.8Low69.8Low40 Ų4032.5 Ų32.528%0.2817%0.165SC..  trans-71.3103.1155.8610000106.5I130 P134 S166I130-S132 VanDerWaalsContact C-N 3.33Å; I130-S132 PolarHBondContact O-N 3.38Å; S132-P134 WeakPolarHBondContact O-CD 3.34Å; S132-S166 PolarHBondContact O-OG 2.85Å
133T51.1Low69.3Low20 Ų2028 Ų2812%0.12314%0.141CC..PPolyproline II helixtrans-59.4123.6153.4330000105.9F131 R135 F142 S170F131-T133 PolarHBondContact O-N 3.44Å; F131-T133 VanDerWaalsContact O-N 3.14Å; T133-R135 PolarHBondContact O-N 2.96Å; T133-R135 VanDerWaalsContact O-N 3.14Å; T133-F142 HydrophobicContact CG2-CE1 4.43Å; T133-S170 WeakPolarHBondContact CG2-OG 3.39Å
134P48.2Very low68.7Low16 Ų1627.4 Ų27.410%0.10414%0.138CC..PPolyproline II helixtrans-51.1127.7153.212-8.4000104.6S132 V143 I167S132-P134 WeakPolarHBondContact O-CD 3.34Å; P134-V143 VanDerWaalsContact CB-O 3.25Å; P134-V143 WeakPolarHBondContact CB-O 3.29Å; P134-I167 HydrophobicContact CG-CD1 3.94Å; P134-I167 HydrophobicContact CG-CG1 4.1Å
135R48.3Very low67.4Low32 Ų3228.5 Ų28.512%0.12115%0.146CC..PPolyproline II helixtrans-56160.5-168-58.2164.5172.5-100.2-34.2110M1 T133 A137 S290M1-R135 PolarHBondContact O-NH2 3.44Å; T133-R135 PolarHBondContact O-N 2.96Å; T133-R135 VanDerWaalsContact O-N 3.14Å; R135-A137 PolarHBondContact O-N 3.26Å; R135-S290 VanDerWaalsContact CB-O 3.31Å; R135-S290 WeakPolarHBondContact CB-O 3.44Å; R135-S290 WeakPolarHBondContact CB-OG 3.11Å; R135-S290 PolarHBondContact N-OG 2.65Å; R135-S290 VanDerWaalsContact N-OG 3.08Å; R135-S290 WeakPolarHBondContact O-CB 3.48Å
136D48.9Very low66Low71 Ų7134.2 Ų34.238%0.3817%0.171SC..  trans-56.983.2161.8-60.5-39.1000109.6F138 K139D136-F138 WeakPolarHBondContact CA-O 3.46Å; D136-F138 PolarHBondContact O-N 2.91Å; D136-K139 HydrophobicContact CB-CG 4.35Å
137A46.4Very low64.2Low3 Ų334.8 Ų34.83%0.02519%0.186CC..SBendtrans-52.9-40162.500000108.1R135R135-A137 PolarHBondContact O-N 3.26Å
138F52.8Low62.6Low3 Ų336.4 Ų36.41%0.01319%0.193CC..BIsolated β-bridgetrans-133.6145.8161.1-49-94.5000105.9D136 N140 L141 L240 L295 D296 F299 I616 F650D136-F138 WeakPolarHBondContact CA-O 3.46Å; D136-F138 PolarHBondContact O-N 2.91Å; F138-N140 PolarHBondContact O-N 3.38Å; F138-L141 HydrophobicContact CB-CB 3.75Å; F138-L141 HydrophobicContact CB-CD1 3.79Å; F138-L141 HydrophobicContact CB-CG 3.82Å; F138-L141 HydrophobicContact CD1-CD1 4.27Å; F138-L141 HydrophobicContact CD2-CB 3.65Å; F138-L141 HydrophobicContact CD2-CD1 3.15Å; F138-L141 HydrophobicContact CD2-CG 3.87Å; F138-L141 HydrophobicContact CE2-CD1 3.73Å; F138-L141 HydrophobicContact CG-CB 4.07Å; F138-L141 HydrophobicContact CG-CD1 3.45Å; F138-L141 VanDerWaalsContact CG-CD1 3.45Å; F138-L141 HydrophobicContact CG-CG 4.04Å; F138-L141 PolarHBondContact O-N 3.07Å; F138-L141 VanDerWaalsContact O-O 3.08Å; F138-L240 HydrophobicContact CE1-CD1 4.14Å; F138-L240 HydrophobicContact CZ-CD1 4.41Å; F138-L295 HydrophobicContact CE1-CB 3.94Å; F138-L295 HydrophobicContact CZ-CB 4.09Å; F138-D296 WeakPolarHBondContact CA-OD1 3.45Å; F138-D296 WeakPolarHBondContact CB-OD1 3.38Å; F138-F299 HydrophobicContact CD1-CB 3.55Å; F138-F299 HydrophobicContact CD1-CD1 4.22Å; F138-F299 AromaticContact CD1-CD2 3.41Å; F138-F299 HydrophobicContact CD1-CD2 3.41Å; F138-F299 VanDerWaalsContact CD1-CD2 3.41Å; F138-F299 HydrophobicContact CD1-CE2 4.15Å; F138-F299 AromaticContact CD1-CG 3.44Å; F138-F299 HydrophobicContact CD1-CG 3.44Å; F138-F299 VanDerWaalsContact CD1-CG 3.44Å; F138-F299 HydrophobicContact CE1-CB 3.6Å; F138-F299 AromaticContact CE1-CD2 3.14Å; F138-F299 HydrophobicContact CE1-CD2 3.14Å; F138-F299 AromaticContact CE1-CE2 3.99Å; F138-F299 HydrophobicContact CE1-CE2 3.99Å; F138-F299 AromaticContact CE1-CG 3.57Å; F138-F299 HydrophobicContact CE1-CG 3.57Å; F138-F299 HydrophobicContact CG-CD2 4.26Å; F138-F299 HydrophobicContact CG-CG 4.41Å; F138-F299 AromaticContact CZ-CD2 3.75Å; F138-F299 HydrophobicContact CZ-CD2 3.75Å; F138-F299 HydrophobicContact CZ-CE2 4.24Å; F138-I616 HydrophobicContact CE2-CD1 4.05Å; F138-I616 HydrophobicContact CZ-CD1 3.91Å; F138-F650 HydrophobicContact CD2-CZ 4.03Å; F138-F650 HydrophobicContact CE2-CE1 4.33Å; F138-F650 HydrophobicContact CE2-CE2 4.07Å; F138-F650 AromaticContact CE2-CZ 3.66Å; F138-F650 HydrophobicContact CE2-CZ 3.66Å
139K68.5Low61.1Low129 Ų12935.8 Ų35.856%0.56119%0.193SC*.THydrogen-bonded Turntrans-53-17-177.7-75.1172.7-176.4165.40114.8D136 D296 K644D136-K139 HydrophobicContact CB-CG 4.35Å; K139-D296 WeakPolarHBondContact CD-OD2 3.49Å; K139-D296 WeakPolarHBondContact CG-OD2 3.5Å; K139-D296 PolarHBondContact N-OD1 2.82Å; K139-K644 PolarHBondContact O-NZ 3.29Å
140N78Confident60.1Low57 Ų5735.9 Ų35.931%0.30519%0.194SC..THydrogen-bonded Turntrans-122.74.8-177.2-59.1-43.9000113.9F138 F623 L643 K644 I645F138-N140 PolarHBondContact O-N 3.38Å; N140-F623 HydrophobicContact CB-CD1 4.43Å; N140-F623 HydrophobicContact CB-CE1 3.27Å; N140-F623 HydrophobicContact CB-CE2 4.42Å; N140-F623 HydrophobicContact CB-CZ 3.27Å; N140-L643 WeakPolarHBondContact CB-O 3.46Å; N140-K644 CarbonylContact O-C 3.58Å; N140-K644 VanDerWaalsContact O-CA 3.26Å; N140-K644 WeakPolarHBondContact O-CA 3.18Å; N140-I645 PolarHBondContact O-N 3.2Å
141L79Confident59.2Low0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-122.3121.3176.5-63174.2000109.7F138 F299 C619 F623 I645 F650F138-L141 HydrophobicContact CB-CB 3.75Å; F138-L141 HydrophobicContact CB-CD1 3.79Å; F138-L141 HydrophobicContact CB-CG 3.82Å; F138-L141 HydrophobicContact CD1-CD1 4.27Å; F138-L141 HydrophobicContact CD2-CB 3.65Å; F138-L141 HydrophobicContact CD2-CD1 3.15Å; F138-L141 HydrophobicContact CD2-CG 3.87Å; F138-L141 HydrophobicContact CE2-CD1 3.73Å; F138-L141 HydrophobicContact CG-CB 4.07Å; F138-L141 HydrophobicContact CG-CD1 3.45Å; F138-L141 VanDerWaalsContact CG-CD1 3.45Å; F138-L141 HydrophobicContact CG-CG 4.04Å; F138-L141 PolarHBondContact O-N 3.07Å; F138-L141 VanDerWaalsContact O-O 3.08Å; L141-F299 HydrophobicContact CD1-CE2 3.85Å; L141-F299 HydrophobicContact CD1-CZ 3.79Å; L141-C619 HydrophobicContact CD1-CB 4.22Å; L141-C619 HydrophobicContact CD2-CB 4.47Å; L141-F623 HydrophobicContact CD1-CE2 4.37Å; L141-F623 HydrophobicContact CD2-CE2 3.7Å; L141-F623 HydrophobicContact CD2-CZ 4.15Å; L141-F623 HydrophobicContact CG-CE2 3.95Å; L141-F623 HydrophobicContact CG-CZ 4.35Å; L141-I645 WeakPolarHBondContact CA-O 3.34Å; L141-I645 HydrophobicContact CD2-CB 3.51Å; L141-I645 HydrophobicContact CD2-CD1 3.77Å; L141-I645 HydrophobicContact CD2-CG1 3.74Å; L141-I645 HydrophobicContact CD2-CG2 4.41Å; L141-F650 HydrophobicContact CB-CZ 4.36Å; L141-F650 HydrophobicContact CD1-CE1 3.93Å; L141-F650 HydrophobicContact CD1-CZ 3.98Å
142F78.3Confident58.5Low3 Ų340 Ų401%0.01322%0.22CC..EExtended strand (participates in β ladder)trans-108.1133.8176-59.3-88.6000109.2T133 I167 L171 K644 I645 I646 I647T133-F142 HydrophobicContact CG2-CE1 4.43Å; F142-I167 HydrophobicContact CB-CD1 3.78Å; F142-I167 HydrophobicContact CD1-CD1 4.08Å; F142-I167 HydrophobicContact CD1-CG1 4.08Å; F142-I167 HydrophobicContact CD1-CG2 3.91Å; F142-I167 HydrophobicContact CD2-CG2 4.2Å; F142-I167 HydrophobicContact CE1-CG2 3.87Å; F142-I167 HydrophobicContact CE2-CG2 4.19Å; F142-I167 HydrophobicContact CG-CD1 3.99Å; F142-I167 HydrophobicContact CG-CG1 4.44Å; F142-I167 HydrophobicContact CG-CG2 4.07Å; F142-I167 HydrophobicContact CZ-CG2 4.01Å; F142-L171 HydrophobicContact CZ-CD1 4.16Å; F142-K644 HydrophobicContact CE2-CB 4.12Å; F142-K644 HydrophobicContact CE2-CD 3.72Å; F142-K644 HydrophobicContact CE2-CG 4.04Å; F142-K644 HydrophobicContact CZ-CD 4.25Å; F142-I645 PolarHBondContact N-O 3.38Å; F142-I646 HydrophobicContact CB-CB 4.49Å; F142-I646 HydrophobicContact CB-CG1 4.12Å; F142-I646 HydrophobicContact CB-CG2 4.36Å; F142-I646 HydrophobicContact CD2-CG1 4.19Å; F142-I646 HydrophobicContact CG-CG1 4.47Å; F142-I646 WeakPolarHBondContact O-CA 3.27Å; F142-I647 PolarHBondContact O-N 2.93Å
143V73.6Confident58.4Low2 Ų241.7 Ų41.71%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-111.1127.4174.1-169.40000109.6P134 I289 I647 F650P134-V143 VanDerWaalsContact CB-O 3.25Å; P134-V143 WeakPolarHBondContact CB-O 3.29Å; V143-I289 HydrophobicContact CB-CB 3.96Å; V143-I289 HydrophobicContact CB-CG2 4.2Å; V143-I289 HydrophobicContact CG1-CB 3.73Å; V143-I289 HydrophobicContact CG1-CD1 3.51Å; V143-I289 HydrophobicContact CG1-CG1 4.14Å; V143-I289 HydrophobicContact CG1-CG2 4.08Å; V143-I289 HydrophobicContact CG2-CB 4.16Å; V143-I289 HydrophobicContact CG2-CG2 3.83Å; V143-I647 CarbonylContact C-O 3.52Å; V143-I647 VanDerWaalsContact CA-O 3.26Å; V143-I647 WeakPolarHBondContact CA-O 3.47Å; V143-I647 HydrophobicContact CG2-CG1 4.18Å; V143-F650 HydrophobicContact CG2-CE2 3.68Å; V143-F650 HydrophobicContact CG2-CZ 4.16Å
144L71.3Confident58.5Low7 Ų745 Ų454%0.03726%0.26CS..  trans-73.1130175.3-61.3-175.8000109.3K146 A160 E163 I164 I167 I646 I647L144-K146 PolarHBondContact O-N 3.36Å; L144-K146 VanDerWaalsContact O-N 3.13Å; L144-A160 HydrophobicContact CD1-CB 4.06Å; L144-E163 WeakPolarHBondContact CB-OE2 3.42Å; L144-E163 HydrophobicContact CD2-CB 3.77Å; L144-I164 HydrophobicContact CD2-CG1 4.35Å; L144-I167 HydrophobicContact CD2-CD1 4.29Å; L144-I646 HydrophobicContact CD1-CG2 4.3Å; L144-I646 HydrophobicContact CD2-CG2 3.69Å; L144-I646 HydrophobicContact CG-CG2 3.87Å; L144-I647 PolarHBondContact N-O 3.4Å
145P58.5Low58.5Low66 Ų6653 Ų5343%0.42930%0.296SS..SBendtrans-65.8-13.9-175.724.8-35.6000114.3E163P145-E163 WeakPolarHBondContact CD-OE2 3.32Å; P145-E163 WeakPolarHBondContact CG-OE1 3.46Å
146K55.8Low59.1Low121 Ų12157.4 Ų57.453%0.52632%0.322SS..SBendtrans-118.3139175.1-76.7177.5179.3177.10110.1L144 H148L144-K146 PolarHBondContact O-N 3.36Å; L144-K146 VanDerWaalsContact O-N 3.13Å; K146-H148 WeakPolarHBondContact CB-CD2 3.39Å; K146-H148 WeakPolarHBondContact CB-NE2 3.38Å; K146-H148 WeakPolarHBondContact CD-NE2 3.46Å; K146-H148 PolarHBondContact O-N 3.41Å
147S49.5Very low60.1Low101 Ų10154.9 Ų54.971%0.70631%0.308SS*.  trans-68.463.8167.863.30000110.2A149S147-A149 PolarHBondContact O-N 3.41Å
148H51.4Low61.3Low33 Ų3360 Ų6015%0.15333%0.331CS..  trans-74.396.9169.8-69.8-57.4000106.7K146 L150 A159 A160K146-H148 WeakPolarHBondContact CB-CD2 3.39Å; K146-H148 WeakPolarHBondContact CB-NE2 3.38Å; K146-H148 WeakPolarHBondContact CD-NE2 3.46Å; K146-H148 PolarHBondContact O-N 3.41Å; H148-L150 VanDerWaalsContact C-N 3.32Å; H148-L150 PolarHBondContact O-N 3.43Å; H148-A159 VanDerWaalsContact NE2-CB 3.27Å; H148-A159 WeakPolarHBondContact NE2-CB 3.44Å; H148-A160 HydrophobicContact CB-CB 3.78Å
149A53.8Low62.2Low17 Ų1761.5 Ų61.514%0.1434%0.344CS..  trans-59.8104.9162.800000106.4S147 L151 L154S147-A149 PolarHBondContact O-N 3.41Å; A149-L151 HydrophobicContact CB-CD1 3.95Å; A149-L151 HydrophobicContact CB-CG 4.05Å; A149-L151 PolarHBondContact O-N 2.99Å; A149-L154 HydrophobicContact CB-CD1 3.75Å
150L55.1Low62.6Low7 Ų755.3 Ų55.34%0.03732%0.317CS..  trans-71.248.3172.2-68.9173.2000109.6H148 H157 A160 F161 V187 V607 M609H148-L150 VanDerWaalsContact C-N 3.32Å; H148-L150 PolarHBondContact O-N 3.43Å; L150-H157 HydrophobicContact CD2-CB 4.34Å; L150-A160 HydrophobicContact CD2-CB 3.76Å; L150-A160 HydrophobicContact CG-CB 4.49Å; L150-F161 HydrophobicContact CD2-CD1 4.37Å; L150-F161 HydrophobicContact CD2-CE1 4.05Å; L150-V187 HydrophobicContact CB-CG1 4.49Å; L150-V187 HydrophobicContact CD2-CG1 4.4Å; L150-V607 HydrophobicContact CD1-CG1 4.18Å; L150-M609 HydrophobicContact CB-CE 3.48Å; L150-M609 VanDerWaalsContact CB-CE 3.48Å; L150-M609 HydrophobicContact CB-SD 3.42Å; L150-M609 WeakPolarHBondContact CB-SD 3.46Å; L150-M609 HydrophobicContact CD1-SD 3.51Å; L150-M609 VanDerWaalsContact CD1-SD 3.51Å; L150-M609 HydrophobicContact CG-SD 4.1Å; L150-M609 WeakPolarHBondContact O-CE 3.48Å
151L55.2Low63Low58 Ų5852.9 Ų52.930%0.30430%0.304SS..  trans-91.2131.2179.9-67.9169.8000110.5A149 G153 L154 H157A149-L151 HydrophobicContact CB-CD1 3.95Å; A149-L151 HydrophobicContact CB-CG 4.05Å; A149-L151 PolarHBondContact O-N 2.99Å; L151-G153 PolarHBondContact O-N 3.06Å; L151-G153 VanDerWaalsContact O-N 3.08Å; L151-L154 HydrophobicContact CB-CD1 4.04Å; L151-L154 HydrophobicContact CD1-CD1 4.35Å; L151-L154 PolarHBondContact O-N 2.86Å; L151-H157 PolarHBondContact N-CE1 2.83Å; L151-H157 PolarHBondContact O-CE1 3.15Å; L151-H157 PolarHBondContact O-NE2 3.04Å; L151-H157 VanDerWaalsContact O-NE2 3.17Å
152P49.4Very low63Low54 Ų5455.1 Ų55.135%0.35131%0.313SS..THydrogen-bonded Turntrans-54.1118174.2-22.531.3000111.5T183 K186 V187P152-T183 WeakPolarHBondContact CG-O 3.31Å; P152-K186 HydrophobicContact CB-CD 4.05Å; P152-K186 HydrophobicContact CG-CB 4.4Å; P152-K186 HydrophobicContact CG-CD 4.32Å; P152-V187 HydrophobicContact CG-CG2 4.23Å
153G53.3Low62.9Low76 Ų7656.8 Ų56.878%0.78432%0.32SS*.THydrogen-bonded Turntrans114.9-8.2178.800000115.4L151L151-G153 PolarHBondContact O-N 3.06Å; L151-G153 VanDerWaalsContact O-N 3.08Å
154L52.6Low63.4Low90 Ų9056.7 Ų56.747%0.47132%0.32SS..  trans-91110.6166.9-71.3164.6000108.4A149 L151 N156 H157A149-L154 HydrophobicContact CB-CD1 3.75Å; L151-L154 HydrophobicContact CB-CD1 4.04Å; L151-L154 HydrophobicContact CD1-CD1 4.35Å; L151-L154 PolarHBondContact O-N 2.86Å; L154-N156 PolarHBondContact O-N 3.49Å; L154-H157 PolarHBondContact O-CE1 3.3Å; L154-H157 PolarHBondContact O-NE2 3.17Å
155E49.9Very low64.1Low183 Ų18356.3 Ų56.386%0.85532%0.318SS*.SBendtrans-59.3-7.5-170.6-63.4-174.6158.500115.5
156N60.8Low65.1Low125 Ų12553.4 Ų53.467%0.66830%0.299SS*.  trans-108.243.6-170.9-71.5-25.5000115.1L154 H158L154-N156 PolarHBondContact O-N 3.49Å; N156-H158 VanDerWaalsContact C-N 3.26Å; N156-H158 PolarHBondContact O-N 3.28Å
157H69.7Low66.3Low18 Ų1847.6 Ų47.68%0.08327%0.274CS..  trans-70.4-20.2171.6-61.5-38.9000113.9L150 L151 L154 A159 A160 F161L150-H157 HydrophobicContact CD2-CB 4.34Å; L151-H157 PolarHBondContact N-CE1 2.83Å; L151-H157 PolarHBondContact O-CE1 3.15Å; L151-H157 PolarHBondContact O-NE2 3.04Å; L151-H157 VanDerWaalsContact O-NE2 3.17Å; L154-H157 PolarHBondContact O-CE1 3.3Å; L154-H157 PolarHBondContact O-NE2 3.17Å; H157-A159 VanDerWaalsContact C-N 3.33Å; H157-A159 PolarHBondContact O-N 3.5Å; H157-A160 PolarHBondContact O-N 3.04Å; H157-F161 HydrophobicContact CB-CE1 4.43Å; H157-F161 HydrophobicContact CB-CZ 4.34Å; H157-F161 PolarHBondContact O-N 3.27Å; H157-F161 VanDerWaalsContact O-N 3.1Å
158H71.3Confident68.2Low111 Ų11142.8 Ų42.851%0.51424%0.24SC..Hα-helixtrans-55-43.9-172.9-76.3-79.6000113.5N156 F161 Y162 F194N156-H158 VanDerWaalsContact C-N 3.26Å; N156-H158 PolarHBondContact O-N 3.28Å; H158-F161 PolarHBondContact O-N 2.75Å; H158-Y162 HydrophobicContact CB-CD2 4.5Å; H158-Y162 HydrophobicContact CB-CE2 4.27Å; H158-Y162 WeakPolarHBondContact O-CD2 3.22Å; H158-Y162 PolarHBondContact O-N 2.79Å; H158-F194 AromaticContact ND1-CE2 3.83Å
159A72Confident69.7Low33 Ų3343 Ų4327%0.27324%0.239SC..Hα-helixtrans-62.6-46.8-178.300000112.4H148 H157 F161 Y162 E163H148-A159 VanDerWaalsContact NE2-CB 3.27Å; H148-A159 WeakPolarHBondContact NE2-CB 3.44Å; H157-A159 VanDerWaalsContact C-N 3.33Å; H157-A159 PolarHBondContact O-N 3.5Å; A159-F161 VanDerWaalsContact C-N 3.29Å; A159-F161 PolarHBondContact O-N 3.47Å; A159-Y162 PolarHBondContact O-N 3.38Å; A159-E163 WeakPolarHBondContact O-CG 3.4Å; A159-E163 PolarHBondContact O-N 3Å
160A76.9Confident70.9Confident0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-61.6-37.4174.700000112.2L144 H148 L150 H157 E163 I164L144-A160 HydrophobicContact CD1-CB 4.06Å; H148-A160 HydrophobicContact CB-CB 3.78Å; L150-A160 HydrophobicContact CD2-CB 3.76Å; L150-A160 HydrophobicContact CG-CB 4.49Å; H157-A160 PolarHBondContact O-N 3.04Å; A160-E163 PolarHBondContact O-N 3.12Å; A160-I164 WeakPolarHBondContact O-CB 3.43Å; A160-I164 VanDerWaalsContact O-CG1 3.24Å; A160-I164 WeakPolarHBondContact O-CG1 3.2Å; A160-I164 PolarHBondContact O-N 3.02Å
161F84.9Confident72.2Confident6 Ų645.8 Ų45.83%0.02626%0.256CS..Hα-helixtrans-66.2-38.6176.2-72.81.4000112.5L150 H157 H158 A159 N165 V187 L190 F191 F194L150-F161 HydrophobicContact CD2-CD1 4.37Å; L150-F161 HydrophobicContact CD2-CE1 4.05Å; H157-F161 HydrophobicContact CB-CE1 4.43Å; H157-F161 HydrophobicContact CB-CZ 4.34Å; H157-F161 PolarHBondContact O-N 3.27Å; H157-F161 VanDerWaalsContact O-N 3.1Å; H158-F161 PolarHBondContact O-N 2.75Å; A159-F161 VanDerWaalsContact C-N 3.29Å; A159-F161 PolarHBondContact O-N 3.47Å; F161-N165 WeakPolarHBondContact O-CB 3.37Å; F161-N165 PolarHBondContact O-N 2.81Å; F161-V187 HydrophobicContact CE1-CG1 3.67Å; F161-V187 HydrophobicContact CZ-CG1 3.56Å; F161-L190 HydrophobicContact CE2-CB 3.93Å; F161-L190 HydrophobicContact CZ-CB 4.19Å; F161-F191 HydrophobicContact CB-CD2 4.08Å; F161-F191 HydrophobicContact CB-CE2 4.3Å; F161-F191 AromaticContact CD1-CD2 3.68Å; F161-F191 HydrophobicContact CD1-CD2 3.68Å; F161-F191 HydrophobicContact CD1-CE2 4.44Å; F161-F191 HydrophobicContact CD2-CB 4.47Å; F161-F191 AromaticContact CD2-CD2 4Å; F161-F191 HydrophobicContact CD2-CD2 4Å; F161-F191 HydrophobicContact CE1-CB 4.02Å; F161-F191 AromaticContact CE1-CD2 4Å; F161-F191 HydrophobicContact CE1-CD2 4Å; F161-F191 HydrophobicContact CE1-CG 4.44Å; F161-F191 HydrophobicContact CE2-CB 3.95Å; F161-F191 HydrophobicContact CE2-CD2 4.3Å; F161-F191 AromaticContact CG-CD2 3.67Å; F161-F191 HydrophobicContact CG-CD2 3.67Å; F161-F191 HydrophobicContact CG-CE2 4.36Å; F161-F191 HydrophobicContact CZ-CB 3.69Å; F161-F191 HydrophobicContact CZ-CD2 4.29Å; F161-F191 HydrophobicContact CZ-CG 4.49Å; F161-F194 HydrophobicContact CB-CD1 3.88Å; F161-F194 HydrophobicContact CB-CD2 4.34Å; F161-F194 HydrophobicContact CB-CE1 3.66Å; F161-F194 HydrophobicContact CB-CE2 4.18Å; F161-F194 HydrophobicContact CB-CG 4.21Å; F161-F194 HydrophobicContact CB-CZ 3.82Å; F161-F194 HydrophobicContact CD2-CB 4.28Å; F161-F194 HydrophobicContact CD2-CD1 4.47Å; F161-F194 AromaticContact CD2-CD2 3.97Å; F161-F194 HydrophobicContact CD2-CD2 3.97Å; F161-F194 HydrophobicContact CD2-CE2 4.43Å; F161-F194 HydrophobicContact CD2-CG 4Å
162Y79Confident73.6Confident47 Ų4746.4 Ų46.418%0.18426%0.256CS..Hα-helixtrans-64.2-41.1172.4-75.6-65.5000111.8E92 G95 H158 A159 N165 S166 F194 A196E92-Y162 HydrophobicContact CB-CD1 3.65Å; E92-Y162 HydrophobicContact CB-CE1 3.64Å; E92-Y162 HydrophobicContact CG-CD1 4.36Å; E92-Y162 HydrophobicContact CG-CE1 4.08Å; E92-Y162 WeakPolarHBondContact OE2-CD1 3.09Å; E92-Y162 WeakPolarHBondContact OE2-CE1 3.49Å; G95-Y162 WeakPolarHBondContact CA-OH 3.37Å; G95-Y162 PolarHBondContact N-OH 3.36Å; H158-Y162 HydrophobicContact CB-CD2 4.5Å; H158-Y162 HydrophobicContact CB-CE2 4.27Å; H158-Y162 WeakPolarHBondContact O-CD2 3.22Å; H158-Y162 PolarHBondContact O-N 2.79Å; A159-Y162 PolarHBondContact O-N 3.38Å; Y162-N165 PolarHBondContact O-N 2.78Å; Y162-S166 WeakPolarHBondContact O-CB 3.31Å; Y162-S166 PolarHBondContact O-N 2.78Å; Y162-F194 HydrophobicContact CD1-CE1 4.06Å; Y162-F194 AromaticContact CD1-CZ 3.69Å; Y162-F194 HydrophobicContact CD1-CZ 3.69Å; Y162-F194 AromaticContact CD2-CZ 3.95Å; Y162-F194 HydrophobicContact CD2-CZ 3.95Å; Y162-F194 HydrophobicContact CE1-CE1 4.16Å; Y162-F194 HydrophobicContact CE1-CE2 4.42Å; Y162-F194 AromaticContact CE1-CZ 3.5Å; Y162-F194 HydrophobicContact CE1-CZ 3.5Å; Y162-F194 HydrophobicContact CE2-CE2 4.27Å; Y162-F194 AromaticContact CE2-CZ 3.77Å; Y162-F194 HydrophobicContact CE2-CZ 3.77Å; Y162-F194 HydrophobicContact CG-CE1 4.4Å; Y162-F194 AromaticContact CG-CZ 3.89Å; Y162-F194 HydrophobicContact CG-CZ 3.89Å; Y162-F194 AromaticContact CZ-CZ 3.53Å; Y162-A196 HydrophobicContact CD1-CB 4.28Å; Y162-A196 HydrophobicContact CE1-CB 3.91Å
163E76.9Confident75.5Confident37 Ų3743.9 Ų43.917%0.17324%0.239CC..Hα-helixtrans-64.5-45.5176.4-69.1169.1-177.700112L144 P145 A159 A160 N165 S166 I167L144-E163 WeakPolarHBondContact CB-OE2 3.42Å; L144-E163 HydrophobicContact CD2-CB 3.77Å; P145-E163 WeakPolarHBondContact CD-OE2 3.32Å; P145-E163 WeakPolarHBondContact CG-OE1 3.46Å; A159-E163 WeakPolarHBondContact O-CG 3.4Å; A159-E163 PolarHBondContact O-N 3Å; A160-E163 PolarHBondContact O-N 3.12Å; E163-N165 PolarHBondContact O-N 2.79Å; E163-S166 WeakPolarHBondContact O-CB 3.17Å; E163-S166 PolarHBondContact O-N 3.5Å; E163-I167 WeakPolarHBondContact O-CG1 3.14Å; E163-I167 PolarHBondContact O-N 2.81Å
164I85.1Confident77.2Confident0 Ų042.1 Ų42.10%021%0.213CC..Hα-helixtrans-60.7-45.7173.8-68.3166.5000110.5L144 A160 S166 I167 F168 F191 F217 V607 I646L144-I164 HydrophobicContact CD2-CG1 4.35Å; A160-I164 WeakPolarHBondContact O-CB 3.43Å; A160-I164 VanDerWaalsContact O-CG1 3.24Å; A160-I164 WeakPolarHBondContact O-CG1 3.2Å; A160-I164 PolarHBondContact O-N 3.02Å; I164-S166 PolarHBondContact O-N 3.07Å; I164-I167 PolarHBondContact O-N 3.45Å; I164-F168 HydrophobicContact CG2-CD1 4.46Å; I164-F168 HydrophobicContact CG2-CD2 3.94Å; I164-F168 HydrophobicContact CG2-CE1 4.03Å; I164-F168 HydrophobicContact CG2-CE2 3.45Å; I164-F168 VanDerWaalsContact CG2-CE2 3.45Å; I164-F168 HydrophobicContact CG2-CG 4.42Å; I164-F168 HydrophobicContact CG2-CZ 3.49Å; I164-F168 VanDerWaalsContact CG2-CZ 3.49Å; I164-F168 WeakPolarHBondContact O-CG 3.34Å; I164-F168 PolarHBondContact O-N 3.05Å; I164-F191 HydrophobicContact CB-CE2 4.15Å; I164-F191 HydrophobicContact CB-CZ 4.42Å; I164-F191 HydrophobicContact CG2-CE1 4.47Å; I164-F191 HydrophobicContact CG2-CE2 3.79Å; I164-F191 HydrophobicContact CG2-CZ 3.58Å; I164-F217 HydrophobicContact CD1-CE1 4.38Å; I164-V607 HydrophobicContact CD1-CG1 4.15Å; I164-I646 HydrophobicContact CG1-CD1 4.33Å; I164-I646 HydrophobicContact CG1-CG2 4.19Å; I164-I646 HydrophobicContact CG2-CD1 4.15Å
165N85.3Confident79Confident0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-61.7-36.3178.5-169.857000111.6Y108 F161 Y162 E163 F168 W169 F194 A197 R200Y108-N165 PolarHBondContact OH-ND2 3.32Å; Y108-N165 VanDerWaalsContact OH-ND2 3.09Å; F161-N165 WeakPolarHBondContact O-CB 3.37Å; F161-N165 PolarHBondContact O-N 2.81Å; Y162-N165 PolarHBondContact O-N 2.78Å; E163-N165 PolarHBondContact O-N 2.79Å; N165-F168 PolarHBondContact O-N 2.89Å; N165-W169 PolarHBondContact O-N 2.79Å; N165-F194 HydrophobicContact CB-CE1 4.44Å; N165-A197 WeakPolarHBondContact OD1-CA 3.34Å; N165-R200 PolarHBondContact OD1-NE 3Å; N165-R200 PolarHBondContact OD1-NH2 3.07Å
166S78.3Confident81Confident4 Ų430.9 Ų30.93%0.02816%0.159CC..Hα-helixtrans-63.7-47.3175.7179.20000112F131 S132 Y162 E163 I164 F168 W169 S170F131-S166 VanDerWaalsContact CD1-O 3.32Å; F131-S166 WeakPolarHBondContact CD1-O 3.5Å; S132-S166 PolarHBondContact O-OG 2.85Å; Y162-S166 WeakPolarHBondContact O-CB 3.31Å; Y162-S166 PolarHBondContact O-N 2.78Å; E163-S166 WeakPolarHBondContact O-CB 3.17Å; E163-S166 PolarHBondContact O-N 3.5Å; I164-S166 PolarHBondContact O-N 3.07Å; S166-F168 VanDerWaalsContact C-N 3.29Å; S166-F168 PolarHBondContact O-N 2.89Å; S166-W169 PolarHBondContact O-N 2.95Å; S166-S170 PolarHBondContact O-N 3.32Å; S166-S170 VanDerWaalsContact O-N 3.13Å
167I81.6Confident82.4Confident0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-56.4-47.4173.6-66.1161.7000109.9P134 F142 L144 E163 I164 W169 S170 L171 I646P134-I167 HydrophobicContact CG-CD1 3.94Å; P134-I167 HydrophobicContact CG-CG1 4.1Å; F142-I167 HydrophobicContact CB-CD1 3.78Å; F142-I167 HydrophobicContact CD1-CD1 4.08Å; F142-I167 HydrophobicContact CD1-CG1 4.08Å; F142-I167 HydrophobicContact CD1-CG2 3.91Å; F142-I167 HydrophobicContact CD2-CG2 4.2Å; F142-I167 HydrophobicContact CE1-CG2 3.87Å; F142-I167 HydrophobicContact CE2-CG2 4.19Å; F142-I167 HydrophobicContact CG-CD1 3.99Å; F142-I167 HydrophobicContact CG-CG1 4.44Å; F142-I167 HydrophobicContact CG-CG2 4.07Å; F142-I167 HydrophobicContact CZ-CG2 4.01Å; L144-I167 HydrophobicContact CD2-CD1 4.29Å; E163-I167 WeakPolarHBondContact O-CG1 3.14Å; E163-I167 PolarHBondContact O-N 2.81Å; I164-I167 PolarHBondContact O-N 3.45Å; I167-W169 VanDerWaalsContact C-N 3.33Å; I167-W169 PolarHBondContact O-N 2.84Å; I167-S170 PolarHBondContact O-N 2.79Å; I167-S170 PolarHBondContact O-OG 2.79Å; I167-L171 HydrophobicContact CG2-CD1 4.01Å; I167-L171 WeakPolarHBondContact O-CG 3.33Å; I167-L171 PolarHBondContact O-N 2.87Å; I167-I646 HydrophobicContact CD1-CD1 4.03Å; I167-I646 HydrophobicContact CD1-CG1 4.4Å; I167-I646 HydrophobicContact CD1-CG2 4.18Å; I167-I646 HydrophobicContact CG2-CD1 4.33Å
168F88.8Confident83.5Confident0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-66.9-33.6-176.5-69.1-6.4000113.8I164 N165 S166 L171 K172 I173 E175 F191 R200 V215 I605 I646I164-F168 HydrophobicContact CG2-CD1 4.46Å; I164-F168 HydrophobicContact CG2-CD2 3.94Å; I164-F168 HydrophobicContact CG2-CE1 4.03Å; I164-F168 HydrophobicContact CG2-CE2 3.45Å; I164-F168 VanDerWaalsContact CG2-CE2 3.45Å; I164-F168 HydrophobicContact CG2-CG 4.42Å; I164-F168 HydrophobicContact CG2-CZ 3.49Å; I164-F168 VanDerWaalsContact CG2-CZ 3.49Å; I164-F168 WeakPolarHBondContact O-CG 3.34Å; I164-F168 PolarHBondContact O-N 3.05Å; N165-F168 PolarHBondContact O-N 2.89Å; S166-F168 VanDerWaalsContact C-N 3.29Å; S166-F168 PolarHBondContact O-N 2.89Å; F168-L171 CarbonylContact O-C 3.54Å; F168-L171 PolarHBondContact O-N 2.72Å; F168-K172 PolarHBondContact O-N 3.12Å; F168-K172 VanDerWaalsContact O-N 3.1Å; F168-I173 HydrophobicContact CB-CB 4.06Å; F168-I173 HydrophobicContact CB-CD1 4.42Å; F168-I173 HydrophobicContact CB-CG2 4.39Å; F168-I173 HydrophobicContact CD1-CD1 3.77Å; F168-I173 HydrophobicContact CE1-CD1 4.4Å; F168-I173 HydrophobicContact CG-CB 4.41Å; F168-I173 HydrophobicContact CG-CD1 4.29Å; F168-I173 HydrophobicContact CG-CG2 4.33Å; F168-I173 WeakPolarHBondContact O-CB 3.49Å; F168-I173 PolarHBondContact O-N 2.93Å; F168-E175 HydrophobicContact CE2-CG 4.42Å; F168-F191 HydrophobicContact CD2-CE1 4.43Å; F168-F191 HydrophobicContact CD2-CZ 4.08Å; F168-F191 AromaticContact CE2-CE1 3.89Å; F168-F191 HydrophobicContact CE2-CE1 3.89Å; F168-F191 AromaticContact CE2-CZ 3.79Å; F168-F191 HydrophobicContact CE2-CZ 3.79Å; F168-R200 VanDerWaalsContact CB-NH1 3.35Å; F168-V215 HydrophobicContact CE1-CG2 4.39Å; F168-V215 HydrophobicContact CE2-CB 4.48Å; F168-V215 HydrophobicContact CE2-CG1 4.17Å; F168-V215 HydrophobicContact CE2-CG2 3.57Å; F168-V215 HydrophobicContact CZ-CB 4.36Å; F168-V215 HydrophobicContact CZ-CG1 3.91Å; F168-V215 HydrophobicContact CZ-CG2 3.44Å; F168-V215 VanDerWaalsContact CZ-CG2 3.44Å; F168-I605 HydrophobicContact CD1-CD1 4.04Å; F168-I605 HydrophobicContact CE1-CD1 3.44Å; F168-I605 VanDerWaalsContact CE1-CD1 3.44Å; F168-I605 HydrophobicContact CE1-CG2 3.92Å; F168-I605 HydrophobicContact CZ-CD1 4.02Å; F168-I605 HydrophobicContact CZ-CG2 4.07Å; F168-I646 HydrophobicContact CD1-CD1 4.42Å; F168-I646 HydrophobicContact CE1-CD1 3.55Å; F168-I646 HydrophobicContact CZ-CD1 4.04Å
169W83.5Confident84.3Confident36 Ų3619.7 Ų19.714%0.13610%0.102CC..Hα-helixtrans-67-43.8173.3-174.1-83.9000112.5Y108 P109 F131 N165 S166 I167 L171 K172 R200 S203 L204Y108-W169 AromaticContact CD1-CD2 3.81Å; Y108-W169 HydrophobicContact CD1-CD2 3.81Å; Y108-W169 AromaticContact CD1-CE3 3.3Å; Y108-W169 HydrophobicContact CD1-CE3 3.3Å; Y108-W169 AromaticContact CD1-CH2 3.54Å; Y108-W169 HydrophobicContact CD1-CH2 3.54Å; Y108-W169 AromaticContact CD1-CZ2 3.95Å; Y108-W169 HydrophobicContact CD1-CZ2 3.95Å; Y108-W169 AromaticContact CD1-CZ3 3.2Å; Y108-W169 HydrophobicContact CD1-CZ3 3.2Å; Y108-W169 AromaticContact CE1-CD2 3.42Å; Y108-W169 HydrophobicContact CE1-CD2 3.42Å; Y108-W169 VanDerWaalsContact CE1-CD2 3.42Å; Y108-W169 AromaticContact CE1-CE3 3.13Å; Y108-W169 HydrophobicContact CE1-CE3 3.13Å; Y108-W169 HydrophobicContact CE1-CG 4.03Å; Y108-W169 HydrophobicContact CE1-CH2 4.19Å; Y108-W169 HydrophobicContact CE1-CZ2 4.37Å; Y108-W169 AromaticContact CE1-CZ3 3.61Å; Y108-W169 HydrophobicContact CE1-CZ3 3.61Å; Y108-W169 HydrophobicContact CG-CZ3 4.27Å; Y108-W169 WeakPolarHBondContact O-CH2 3.32Å; P109-W169 HydrophobicContact CB-CZ2 4.2Å; P109-W169 VanDerWaalsContact CD-CZ2 3.49Å; P109-W169 HydrophobicContact CG-CZ2 3.87Å; F131-W169 HydrophobicContact CD1-CB 3.42Å; F131-W169 VanDerWaalsContact CD1-CB 3.42Å; F131-W169 AromaticContact CD1-CD1 3.67Å; F131-W169 AromaticContact CD1-CG 3.71Å; F131-W169 HydrophobicContact CD1-CG 3.71Å; F131-W169 HydrophobicContact CD2-CB 4.48Å; F131-W169 AromaticContact CD2-CD1 3.11Å; F131-W169 AromaticContact CD2-CG 3.94Å; F131-W169 HydrophobicContact CD2-CG 3.94Å; F131-W169 AromaticContact CD2-NE1 3.63Å; F131-W169 HydrophobicContact CE1-CB 3.12Å; F131-W169 AromaticContact CE1-CD1 3.46Å; F131-W169 VanDerWaalsContact CE1-CD1 3.46Å; F131-W169 HydrophobicContact CE1-CD2 4.09Å; F131-W169 AromaticContact CE1-CG 3.21Å; F131-W169 HydrophobicContact CE1-CG 3.21Å; F131-W169 HydrophobicContact CE2-CB 4.3Å; F131-W169 AromaticContact CE2-CD1 2.9Å; F131-W169 HydrophobicContact CE2-CD2 4.1Å; F131-W169 AromaticContact CE2-CE2 3.89Å; F131-W169 AromaticContact CE2-CG 3.51Å; F131-W169 HydrophobicContact CE2-CG 3.51Å; F131-W169 AromaticContact CE2-NE1 3.08Å; F131-W169 HydrophobicContact CG-CB 4.09Å; F131-W169 AromaticContact CG-CD1 3.51Å; F131-W169 HydrophobicContact CG-CG 4.04Å; F131-W169 HydrophobicContact CZ-CB 3.63Å; F131-W169 AromaticContact CZ-CD1 3.07Å; F131-W169 AromaticContact CZ-CD2 3.63Å; F131-W169 HydrophobicContact CZ-CD2 3.63Å; F131-W169 AromaticContact CZ-CE2 3.86Å; F131-W169 AromaticContact CZ-CG 3.1Å; F131-W169 HydrophobicContact CZ-CG 3.1Å; F131-W169 AromaticContact CZ-NE1 3.46Å; N165-W169 PolarHBondContact O-N 2.79Å; S166-W169 PolarHBondContact O-N 2.95Å; I167-W169 VanDerWaalsContact C-N 3.33Å; I167-W169 PolarHBondContact O-N 2.84Å; W169-L171 PolarHBondContact O-N 2.86Å; W169-L171 VanDerWaalsContact O-N 3.14Å; W169-K172 WeakPolarHBondContact O-CA 2.9Å; W169-K172 PolarHBondContact O-N 3.2Å; W169-R200 HydrophobicContact CE3-CB 3.75Å; W169-R200 HydrophobicContact CE3-CG 3.38Å; W169-R200 HydrophobicContact CZ3-CB 3.93Å; W169-R200 HydrophobicContact CZ3-CG 3.72Å; W169-S203 WeakPolarHBondContact CH2-OG 3.48Å; W169-L204 HydrophobicContact CE3-CD1 4.4Å; W169-L204 HydrophobicContact CE3-CG 4.49Å; W169-L204 HydrophobicContact CH2-CD2 4.3Å; W169-L204 HydrophobicContact CH2-CG 4.38Å; W169-L204 HydrophobicContact CZ3-CD1 4.33Å; W169-L204 HydrophobicContact CZ3-CD2 4.31Å; W169-L204 HydrophobicContact CZ3-CG 3.95Å
170S78.3Confident85Confident46 Ų4618.3 Ų18.332%0.3229%0.09SC..Hα-helixtrans-57.6-31178.275.80000112.5T133 S166 I167T133-S170 WeakPolarHBondContact CG2-OG 3.39Å; S166-S170 PolarHBondContact O-N 3.32Å; S166-S170 VanDerWaalsContact O-N 3.13Å; I167-S170 PolarHBondContact O-N 2.79Å; I167-S170 PolarHBondContact O-OG 2.79Å
171L82.2Confident85.1Confident37 Ų3719.5 Ų19.519%0.19410%0.102CC..THydrogen-bonded Turntrans-93.52.3177.8-62174000113.1F142 I167 F168 W169 I173 K644F142-L171 HydrophobicContact CZ-CD1 4.16Å; I167-L171 HydrophobicContact CG2-CD1 4.01Å; I167-L171 WeakPolarHBondContact O-CG 3.33Å; I167-L171 PolarHBondContact O-N 2.87Å; F168-L171 CarbonylContact O-C 3.54Å; F168-L171 PolarHBondContact O-N 2.72Å; W169-L171 PolarHBondContact O-N 2.86Å; W169-L171 VanDerWaalsContact O-N 3.14Å; L171-I173 HydrophobicContact CB-CD1 3.54Å; L171-I173 HydrophobicContact CB-CG1 3.73Å; L171-I173 HydrophobicContact CD1-CD1 3.64Å; L171-I173 HydrophobicContact CG-CD1 4.25Å; L171-I173 PolarHBondContact O-N 3.27Å; L171-K644 HydrophobicContact CD1-CD 3.53Å
172K85.8Confident84.7Confident72 Ų7227.4 Ų27.431%0.31314%0.139SC..THydrogen-bonded Turntrans51.341.3-177.1-58179.4-175.5175.50112.6F168 W169 L204 E209 K210 C211F168-K172 PolarHBondContact O-N 3.12Å; F168-K172 VanDerWaalsContact O-N 3.1Å; W169-K172 WeakPolarHBondContact O-CA 2.9Å; W169-K172 PolarHBondContact O-N 3.2Å; K172-L204 HydrophobicContact CB-CD2 4.34Å; K172-E209 HydrophobicContact CD-CB 3.66Å; K172-E209 IonicContact NZ-OE1 2.73Å; K172-E209 PolarHBondContact NZ-OE1 2.7Å; K172-E209 IonicContact NZ-OE2 3.98Å; K172-E209 PolarHBondContact NZ-OE2 3.09Å; K172-K210 CarbonylContact O-C 3.57Å; K172-K210 WeakPolarHBondContact O-CA 3.47Å; K172-C211 PolarHBondContact O-N 2.78Å
173I88.3Confident84.6Confident0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-77.4140.5-175.2-74.2164.9000111.1F168 L171 E175 R200 L204 C211 A213 Y603 I605F168-I173 HydrophobicContact CB-CB 4.06Å; F168-I173 HydrophobicContact CB-CD1 4.42Å; F168-I173 HydrophobicContact CB-CG2 4.39Å; F168-I173 HydrophobicContact CD1-CD1 3.77Å; F168-I173 HydrophobicContact CE1-CD1 4.4Å; F168-I173 HydrophobicContact CG-CB 4.41Å; F168-I173 HydrophobicContact CG-CD1 4.29Å; F168-I173 HydrophobicContact CG-CG2 4.33Å; F168-I173 WeakPolarHBondContact O-CB 3.49Å; F168-I173 PolarHBondContact O-N 2.93Å; L171-I173 HydrophobicContact CB-CD1 3.54Å; L171-I173 HydrophobicContact CB-CG1 3.73Å; L171-I173 HydrophobicContact CD1-CD1 3.64Å; L171-I173 HydrophobicContact CG-CD1 4.25Å; L171-I173 PolarHBondContact O-N 3.27Å; I173-E175 HydrophobicContact CG2-CB 3.99Å; I173-R200 PolarHBondContact O-NH1 3.03Å; I173-L204 WeakPolarHBondContact O-CD1 3.07Å; I173-C211 CarbonylContact C-O 3.55Å; I173-C211 VanDerWaalsContact CA-O 3.27Å; I173-C211 WeakPolarHBondContact CA-O 3.24Å; I173-A213 HydrophobicContact CB-CB 4.46Å; I173-A213 HydrophobicContact CD1-CB 4.43Å; I173-A213 HydrophobicContact CG1-CB 4.32Å; I173-A213 HydrophobicContact CG2-CB 3.37Å; I173-Y603 HydrophobicContact CG1-CD2 4.47Å; I173-I605 HydrophobicContact CD1-CD1 3.45Å; I173-I605 VanDerWaalsContact CD1-CD1 3.45Å
174V89.2Confident85Confident40 Ų4026.2 Ų26.224%0.24214%0.14CC..EExtended strand (participates in β ladder)trans-112.7110.8157.1176.90000107K201 L204 K210 C211 T212 A213V174-K201 HydrophobicContact CG1-CG 4.32Å; V174-L204 HydrophobicContact CG2-CB 3.89Å; V174-L204 HydrophobicContact CG2-CD1 4.49Å; V174-K210 HydrophobicContact CG2-CB 4.21Å; V174-K210 HydrophobicContact CG2-CD 4.27Å; V174-C211 PolarHBondContact N-O 3.47Å; V174-T212 WeakPolarHBondContact O-CA 3.46Å; V174-A213 PolarHBondContact O-N 3.42Å
175E91.4Very high85.1Confident9 Ų927.9 Ų27.94%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-96.9144.9-173.679.1-63.8165.300113.9F168 I173 V177 F191 R200 K201 A213 V215F168-E175 HydrophobicContact CE2-CG 4.42Å; I173-E175 HydrophobicContact CG2-CB 3.99Å; E175-V177 HydrophobicContact CG-CG2 3.87Å; E175-F191 HydrophobicContact CG-CE1 4.3Å; E175-R200 IonicContact OE1-NH2 2.9Å; E175-R200 PolarHBondContact OE1-NH2 3.28Å; E175-R200 IonicContact OE2-CZ 2.59Å; E175-R200 IonicContact OE2-NH1 3.67Å; E175-R200 PolarHBondContact OE2-NH1 3.25Å; E175-R200 IonicContact OE2-NH2 3.66Å; E175-R200 PolarHBondContact OE2-NH2 2.79Å; E175-K201 WeakPolarHBondContact OE1-CD 3.35Å; E175-K201 WeakPolarHBondContact OE1-CE 3.39Å; E175-K201 IonicContact OE1-NZ 2.67Å; E175-K201 PolarHBondContact OE1-NZ 3.24Å; E175-A213 CarbonylContact C-O 3.55Å; E175-A213 VanDerWaalsContact CA-O 3.27Å; E175-A213 WeakPolarHBondContact CA-O 3.16Å; E175-A213 HydrophobicContact CB-CB 4.44Å; E175-V215 HydrophobicContact CB-CB 4.35Å; E175-V215 HydrophobicContact CB-CG2 3.47Å; E175-V215 VanDerWaalsContact CB-CG2 3.47Å; E175-V215 HydrophobicContact CG-CG2 4.04Å
176E90.5Very high85.1Confident28 Ų2834.6 Ų34.613%0.13118%0.18CC..EExtended strand (participates in β ladder)trans-100.8137.9152.3-69.5-152.7134.200110.5Y178 A213 V215 R563 Y596E176-Y178 HydrophobicContact CB-CD2 4.39Å; E176-Y178 HydrophobicContact CB-CE2 3.58Å; E176-Y178 WeakPolarHBondContact O-CD2 3.31Å; E176-Y178 PolarHBondContact OE2-OH 3.36Å; E176-A213 PolarHBondContact N-O 2.98Å; E176-V215 PolarHBondContact O-N 3.41Å; E176-R563 IonicContact OE1-CZ 2.63Å; E176-R563 IonicContact OE1-NE 3.28Å; E176-R563 PolarHBondContact OE1-NE 2.87Å; E176-R563 IonicContact OE1-NH2 2.92Å; E176-R563 PolarHBondContact OE1-NH2 2.97Å; E176-R563 IonicContact OE2-NE 2.7Å; E176-Y596 HydrophobicContact CG-CG 4.47Å; E176-Y596 WeakPolarHBondContact OE1-CB 3.06Å; E176-Y596 WeakPolarHBondContact OE1-CD2 3.37Å; E176-Y596 WeakPolarHBondContact OE2-CB 3.17Å
177V91.6Very high85.5Confident5 Ų534.4 Ų34.43%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-102.4135.3-173.5-175.10000110.8E175 A188 F191 A192 V215 F217 K564E175-V177 HydrophobicContact CG-CG2 3.87Å; V177-A188 HydrophobicContact CG1-CB 3.94Å; V177-A188 WeakPolarHBondContact CG1-O 3.31Å; V177-F191 HydrophobicContact CG2-CD1 3.91Å; V177-F191 HydrophobicContact CG2-CE1 4.35Å; V177-A192 HydrophobicContact CB-CB 4.07Å; V177-A192 HydrophobicContact CG1-CB 4.38Å; V177-A192 HydrophobicContact CG2-CB 4.11Å; V177-V215 CarbonylContact C-O 3.5Å; V177-F217 HydrophobicContact CG1-CD2 3.92Å; V177-F217 HydrophobicContact CG1-CE2 3.8Å; V177-K564 HydrophobicContact CB-CB 4.34Å; V177-K564 HydrophobicContact CG1-CB 4.26Å; V177-K564 PolarHBondContact O-N 3.44Å
178Y91.4Very high85.8Confident14 Ų1434.4 Ų34.46%0.05518%0.179CC..EExtended strand (participates in β ladder)trans-134.6157.9-179-63.7-91.8000110.3E176 V215 F217 I561 V562 R563 Y596 L598E176-Y178 HydrophobicContact CB-CD2 4.39Å; E176-Y178 HydrophobicContact CB-CE2 3.58Å; E176-Y178 WeakPolarHBondContact O-CD2 3.31Å; E176-Y178 PolarHBondContact OE2-OH 3.36Å; Y178-V215 PolarHBondContact N-O 2.77Å; Y178-F217 PolarHBondContact O-N 2.72Å; Y178-I561 HydrophobicContact CD1-CG2 3.76Å; Y178-I561 HydrophobicContact CG-CG2 4.08Å; Y178-V562 CarbonylContact C-O 3.52Å; Y178-V562 VanDerWaalsContact CA-O 3.3Å; Y178-V562 WeakPolarHBondContact CA-O 3.43Å; Y178-R563 HydrophobicContact CD1-CB 3.94Å; Y178-R563 HydrophobicContact CD1-CG 4.38Å; Y178-R563 HydrophobicContact CE1-CB 3.71Å; Y178-R563 HydrophobicContact CE1-CG 3.91Å; Y178-Y596 PolarHBondContact OH-O 3.5Å; Y178-Y596 VanDerWaalsContact OH-O 3.14Å; Y178-L598 HydrophobicContact CD1-CD1 3.85Å; Y178-L598 HydrophobicContact CD2-CD1 3.42Å; Y178-L598 VanDerWaalsContact CD2-CD1 3.42Å; Y178-L598 HydrophobicContact CE1-CD1 3.8Å; Y178-L598 HydrophobicContact CE2-CD1 3.39Å; Y178-L598 HydrophobicContact CG-CD1 3.66Å
179S88.7Confident85.8Confident0 Ų036.4 Ų36.40%020%0.196CC..EExtended strand (participates in β ladder)trans-127.7143.8172.460.10000111.2F217 I561 V562 K564S179-F217 CarbonylContact C-O 3.4Å; S179-F217 WeakPolarHBondContact CA-O 3.37Å; S179-I561 WeakPolarHBondContact O-CA 3.35Å; S179-V562 PolarHBondContact N-O 3.17Å; S179-V562 PolarHBondContact O-N 3.37Å; S179-V562 PolarHBondContact OG-O 2.67Å; S179-K564 VanDerWaalsContact OG-CE 3.26Å; S179-K564 WeakPolarHBondContact OG-CE 3.47Å
180F86.1Confident86Confident3 Ų339.5 Ų39.51%0.01321%0.214CC..EExtended strand (participates in β ladder)trans-124.7101172.5-170.3-132.5000109S184 I216 F217 I218 D219 I222 P520 L537 M540 I561F180-S184 PolarHBondContact N-OG 3.05Å; F180-S184 PolarHBondContact O-OG 2.99Å; F180-S184 VanDerWaalsContact O-OG 3.13Å; F180-I216 HydrophobicContact CB-CG2 3.98Å; F180-F217 PolarHBondContact N-O 2.84Å; F180-I218 HydrophobicContact CB-CG1 4.42Å; F180-I218 HydrophobicContact CD1-CG2 4.47Å; F180-D219 PolarHBondContact O-N 2.93Å; F180-I222 HydrophobicContact CB-CD1 4.47Å; F180-I222 HydrophobicContact CD1-CD1 3.41Å; F180-I222 VanDerWaalsContact CD1-CD1 3.41Å; F180-I222 HydrophobicContact CD1-CG2 3.84Å; F180-I222 HydrophobicContact CE1-CD1 3.7Å; F180-I222 HydrophobicContact CE1-CG2 3.49Å; F180-I222 VanDerWaalsContact CE1-CG2 3.49Å; F180-I222 HydrophobicContact CG-CD1 3.89Å; F180-I222 HydrophobicContact CZ-CD1 4.37Å; F180-I222 WeakPolarHBondContact O-CD1 3.45Å; F180-P520 HydrophobicContact CE2-CB 4.06Å; F180-P520 HydrophobicContact CE2-CG 3.92Å; F180-P520 HydrophobicContact CZ-CB 4.21Å; F180-P520 HydrophobicContact CZ-CG 4.09Å; F180-L537 HydrophobicContact CD1-CD2 4Å; F180-L537 HydrophobicContact CE1-CD2 4.15Å; F180-M540 HydrophobicContact CD1-SD 4Å; F180-M540 HydrophobicContact CE1-SD 4.17Å; F180-M540 HydrophobicContact CG-SD 4.2Å; F180-I561 HydrophobicContact CD2-CG1 3.95Å; F180-I561 HydrophobicContact CE2-CG1 4.48Å
181G79.1Confident86.5Confident25 Ų2537.3 Ų37.326%0.25820%0.199SC..SBendtrans110.5174.2-173.800000114.2S184 D219G181-S184 PolarHBondContact O-OG 3.03Å; G181-D219 VanDerWaalsContact CA-CG 3.43Å; G181-D219 VanDerWaalsContact CA-OD1 3.26Å; G181-D219 WeakPolarHBondContact CA-OD1 3.25Å
182Q77.4Confident86.8Confident172 Ų17235.6 Ų35.680%0.80419%0.19SC*.Hα-helixtrans-84.5-37.1-169.8-171.4177.96.300112.6S185 D219Q182-S185 WeakPolarHBondContact O-CB 3.21Å; Q182-D219 PolarHBondContact N-OD1 3.49Å; Q182-D219 PolarHBondContact N-OD2 2.94Å
183T77.9Confident86.7Confident60 Ų6035.7 Ų35.737%0.36819%0.194SC..Hα-helixtrans-76.2-41-177.856.80000111.7P152 S185 K186 D219P152-T183 WeakPolarHBondContact CG-O 3.31Å; T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 2.91Å; T183-K186 PolarHBondContact O-N 3.18Å; T183-D219 PolarHBondContact N-OD1 3.49Å; T183-D219 PolarHBondContact N-OD2 3.46Å; T183-D219 PolarHBondContact OG1-OD1 3.44Å; T183-D219 VanDerWaalsContact OG1-OD1 3.14Å; T183-D219 PolarHBondContact OG1-OD2 3.26Å
184S84.9Confident86.6Confident0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-61.6-31.1174.359.60000112.9F180 G181 K186 V187 A188 F217 D219F180-S184 PolarHBondContact N-OG 3.05Å; F180-S184 PolarHBondContact O-OG 2.99Å; F180-S184 VanDerWaalsContact O-OG 3.13Å; G181-S184 PolarHBondContact O-OG 3.03Å; S184-K186 VanDerWaalsContact C-N 3.25Å; S184-K186 PolarHBondContact O-N 3.47Å; S184-V187 PolarHBondContact O-N 3.3Å; S184-A188 VanDerWaalsContact O-CB 3.23Å; S184-A188 WeakPolarHBondContact O-CB 3.38Å; S184-A188 PolarHBondContact O-N 3.43Å; S184-F217 WeakPolarHBondContact CB-O 2.97Å; S184-F217 PolarHBondContact OG-O 3.48Å; S184-D219 WeakPolarHBondContact CA-OD1 3.23Å; S184-D219 WeakPolarHBondContact CB-OD1 3.31Å; S184-D219 PolarHBondContact N-OD1 2.88Å; S184-D219 PolarHBondContact OG-OD1 3.42Å
185S85.9Confident86.2Confident35 Ų3538 Ų3825%0.24521%0.209CC..Hα-helixtrans-52.9-40178.8-1790000113.3Q182 T183 A189 K564Q182-S185 WeakPolarHBondContact O-CB 3.21Å; T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 2.91Å; S185-A189 PolarHBondContact O-N 2.91Å; S185-K564 WeakPolarHBondContact O-CE 3.5Å; S185-K564 WeakPolarHBondContact OG-CE 3.32Å; S185-K564 PolarHBondContact OG-NZ 2.91Å
186K85.6Confident85.6Confident140 Ų14037.6 Ų37.661%0.60921%0.207SC*.Hα-helixtrans-71.4-46.8178.7-68.1-177.9179.5-179.90111.6P152 T183 S184 A189 L190P152-K186 HydrophobicContact CB-CD 4.05Å; P152-K186 HydrophobicContact CG-CB 4.4Å; P152-K186 HydrophobicContact CG-CD 4.32Å; T183-K186 PolarHBondContact O-N 3.18Å; S184-K186 VanDerWaalsContact C-N 3.25Å; S184-K186 PolarHBondContact O-N 3.47Å; K186-A189 PolarHBondContact O-N 2.95Å; K186-L190 WeakPolarHBondContact O-CG 2.96Å; K186-L190 PolarHBondContact O-N 2.73Å; K186-L190 VanDerWaalsContact O-N 3.15Å
187V86.3Confident85.3Confident1 Ų136.2 Ų36.21%0.00620%0.201CC..Hα-helixtrans-71-38.6-176.8-178.30000111.6L150 P152 F161 S184 A189 L190 F191 F217 M609L150-V187 HydrophobicContact CB-CG1 4.49Å; L150-V187 HydrophobicContact CD2-CG1 4.4Å; P152-V187 HydrophobicContact CG-CG2 4.23Å; F161-V187 HydrophobicContact CE1-CG1 3.67Å; F161-V187 HydrophobicContact CZ-CG1 3.56Å; S184-V187 PolarHBondContact O-N 3.3Å; V187-A189 VanDerWaalsContact C-N 3.28Å; V187-A189 PolarHBondContact O-N 3.45Å; V187-L190 PolarHBondContact O-N 3.47Å; V187-L190 VanDerWaalsContact O-N 3.16Å; V187-F191 PolarHBondContact O-N 2.95Å; V187-F217 HydrophobicContact CG1-CE1 4.49Å; V187-M609 HydrophobicContact CB-CE 3.3Å; V187-M609 HydrophobicContact CG1-CE 3.55Å; V187-M609 HydrophobicContact CG1-SD 4.3Å; V187-M609 HydrophobicContact CG2-CE 3.36Å
188A89.6Confident84.9Confident0 Ų036.4 Ų36.40%020%0.202CC..Hα-helixtrans-58.4-40.7173.400000111.9V177 S184 F191 A192 F217 K564V177-A188 HydrophobicContact CG1-CB 3.94Å; V177-A188 WeakPolarHBondContact CG1-O 3.31Å; S184-A188 VanDerWaalsContact O-CB 3.23Å; S184-A188 WeakPolarHBondContact O-CB 3.38Å; S184-A188 PolarHBondContact O-N 3.43Å; A188-F191 PolarHBondContact O-N 3.47Å; A188-A192 WeakPolarHBondContact O-CB 3.49Å; A188-A192 PolarHBondContact O-N 2.84Å; A188-F217 HydrophobicContact CB-CB 4.09Å; A188-F217 HydrophobicContact CB-CD2 3.7Å; A188-F217 HydrophobicContact CB-CE2 4.49Å; A188-F217 HydrophobicContact CB-CG 4.1Å; A188-K564 HydrophobicContact CB-CG 3.83Å
189A88Confident84.4Confident41 Ų4137.2 Ų37.234%0.33921%0.207SC..Hα-helixtrans-64.5-43.617500000111.9S185 K186 V187 F191 A192 D193 K564S185-A189 PolarHBondContact O-N 2.91Å; K186-A189 PolarHBondContact O-N 2.95Å; V187-A189 VanDerWaalsContact C-N 3.28Å; V187-A189 PolarHBondContact O-N 3.45Å; A189-F191 VanDerWaalsContact C-N 3.33Å; A189-F191 PolarHBondContact O-N 3.02Å; A189-A192 PolarHBondContact O-N 2.62Å; A189-D193 PolarHBondContact O-N 2.66Å; A189-K564 HydrophobicContact CB-CD 4.45Å
190L88Confident84.2Confident102 Ų10237.2 Ų37.253%0.53421%0.207SC..Hα-helixtrans-62-39.3175.9-67.1173.3000112.4F161 K186 V187 F194F161-L190 HydrophobicContact CE2-CB 3.93Å; F161-L190 HydrophobicContact CZ-CB 4.19Å; K186-L190 WeakPolarHBondContact O-CG 2.96Å; K186-L190 PolarHBondContact O-N 2.73Å; K186-L190 VanDerWaalsContact O-N 3.15Å; V187-L190 PolarHBondContact O-N 3.47Å; V187-L190 VanDerWaalsContact O-N 3.16Å; L190-F194 PolarHBondContact O-N 2.97Å
191F88.7Confident84.2Confident0 Ų037.6 Ų37.60%021%0.209CC..Hα-helixtrans-69.7-37.9177.2-174.3-100.4000112.3F161 I164 F168 E175 V177 V187 A188 A189 D193 F194 A197 F217F161-F191 HydrophobicContact CB-CD2 4.08Å; F161-F191 HydrophobicContact CB-CE2 4.3Å; F161-F191 AromaticContact CD1-CD2 3.68Å; F161-F191 HydrophobicContact CD1-CD2 3.68Å; F161-F191 HydrophobicContact CD1-CE2 4.44Å; F161-F191 HydrophobicContact CD2-CB 4.47Å; F161-F191 AromaticContact CD2-CD2 4Å; F161-F191 HydrophobicContact CD2-CD2 4Å; F161-F191 HydrophobicContact CE1-CB 4.02Å; F161-F191 AromaticContact CE1-CD2 4Å; F161-F191 HydrophobicContact CE1-CD2 4Å; F161-F191 HydrophobicContact CE1-CG 4.44Å; F161-F191 HydrophobicContact CE2-CB 3.95Å; F161-F191 HydrophobicContact CE2-CD2 4.3Å; F161-F191 AromaticContact CG-CD2 3.67Å; F161-F191 HydrophobicContact CG-CD2 3.67Å; F161-F191 HydrophobicContact CG-CE2 4.36Å; F161-F191 HydrophobicContact CZ-CB 3.69Å; F161-F191 HydrophobicContact CZ-CD2 4.29Å; F161-F191 HydrophobicContact CZ-CG 4.49Å; I164-F191 HydrophobicContact CB-CE2 4.15Å; I164-F191 HydrophobicContact CB-CZ 4.42Å; I164-F191 HydrophobicContact CG2-CE1 4.47Å; I164-F191 HydrophobicContact CG2-CE2 3.79Å; I164-F191 HydrophobicContact CG2-CZ 3.58Å; F168-F191 HydrophobicContact CD2-CE1 4.43Å; F168-F191 HydrophobicContact CD2-CZ 4.08Å; F168-F191 AromaticContact CE2-CE1 3.89Å; F168-F191 HydrophobicContact CE2-CE1 3.89Å; F168-F191 AromaticContact CE2-CZ 3.79Å; F168-F191 HydrophobicContact CE2-CZ 3.79Å; E175-F191 HydrophobicContact CG-CE1 4.3Å; V177-F191 HydrophobicContact CG2-CD1 3.91Å; V177-F191 HydrophobicContact CG2-CE1 4.35Å; V187-F191 PolarHBondContact O-N 2.95Å; A188-F191 PolarHBondContact O-N 3.47Å; A189-F191 VanDerWaalsContact C-N 3.33Å; A189-F191 PolarHBondContact O-N 3.02Å; F191-D193 PolarHBondContact O-N 3.12Å; F191-F194 HydrophobicContact CE2-CD1 4.47Å; F191-F194 WeakPolarHBondContact O-CB 3.45Å; F191-F194 PolarHBondContact O-N 2.67Å; F191-A197 HydrophobicContact CZ-CB 4.38Å; F191-F217 HydrophobicContact CB-CE2 3.9Å; F191-F217 HydrophobicContact CB-CZ 3.67Å; F191-F217 AromaticContact CD1-CE2 3.71Å; F191-F217 HydrophobicContact CD1-CE2 3.71Å; F191-F217 AromaticContact CD1-CZ 3.72Å; F191-F217 HydrophobicContact CD1-CZ 3.72Å; F191-F217 HydrophobicContact CD2-CZ 4.15Å; F191-F217 HydrophobicContact CE1-CZ 4.42Å; F191-F217 AromaticContact CG-CE2 3.93Å; F191-F217 HydrophobicContact CG-CE2 3.93Å; F191-F217 AromaticContact CG-CZ 3.55Å; F191-F217 HydrophobicContact CG-CZ 3.55Å
192A88.2Confident84.4Confident1 Ų142.1 Ų42.11%0.00822%0.221CC..Hα-helixtrans-58.4-35.9179.600000112.7V177 A188 A189 K564 C566V177-A192 HydrophobicContact CB-CB 4.07Å; V177-A192 HydrophobicContact CG1-CB 4.38Å; V177-A192 HydrophobicContact CG2-CB 4.11Å; A188-A192 WeakPolarHBondContact O-CB 3.49Å; A188-A192 PolarHBondContact O-N 2.84Å; A189-A192 PolarHBondContact O-N 2.62Å; A192-K564 HydrophobicContact CB-CB 4.33Å; A192-C566 WeakPolarHBondContact O-CB 3.05Å; A192-C566 PolarHBondContact O-SG 3.13Å
193D84.5Confident84.5Confident73 Ų7336.8 Ų36.839%0.3920%0.203SC..THydrogen-bonded Turntrans-98.87.7177.6-68.9-35.6000113.7A189 F191 P195 C566 A567A189-D193 PolarHBondContact O-N 2.66Å; F191-D193 PolarHBondContact O-N 3.12Å; D193-P195 WeakPolarHBondContact O-CD 3.33Å; D193-C566 WeakPolarHBondContact OD1-CA 3.16Å; D193-A567 PolarHBondContact OD1-N 2.9Å
194F85.5Confident84.8Confident7 Ų734.4 Ų34.43%0.03119%0.188CC..  trans-62.2122.1-179.2-179.1-126.8000110.7H158 F161 Y162 N165 L190 F191 A196 A197 V198H158-F194 AromaticContact ND1-CE2 3.83Å; F161-F194 HydrophobicContact CB-CD1 3.88Å; F161-F194 HydrophobicContact CB-CD2 4.34Å; F161-F194 HydrophobicContact CB-CE1 3.66Å; F161-F194 HydrophobicContact CB-CE2 4.18Å; F161-F194 HydrophobicContact CB-CG 4.21Å; F161-F194 HydrophobicContact CB-CZ 3.82Å; F161-F194 HydrophobicContact CD2-CB 4.28Å; F161-F194 HydrophobicContact CD2-CD1 4.47Å; F161-F194 AromaticContact CD2-CD2 3.97Å; F161-F194 HydrophobicContact CD2-CD2 3.97Å; F161-F194 HydrophobicContact CD2-CE2 4.43Å; F161-F194 HydrophobicContact CD2-CG 4Å; Y162-F194 HydrophobicContact CD1-CE1 4.06Å; Y162-F194 AromaticContact CD1-CZ 3.69Å; Y162-F194 HydrophobicContact CD1-CZ 3.69Å; Y162-F194 AromaticContact CD2-CZ 3.95Å; Y162-F194 HydrophobicContact CD2-CZ 3.95Å; Y162-F194 HydrophobicContact CE1-CE1 4.16Å; Y162-F194 HydrophobicContact CE1-CE2 4.42Å; Y162-F194 AromaticContact CE1-CZ 3.5Å; Y162-F194 HydrophobicContact CE1-CZ 3.5Å; Y162-F194 HydrophobicContact CE2-CE2 4.27Å; Y162-F194 AromaticContact CE2-CZ 3.77Å; Y162-F194 HydrophobicContact CE2-CZ 3.77Å; Y162-F194 HydrophobicContact CG-CE1 4.4Å; Y162-F194 AromaticContact CG-CZ 3.89Å; Y162-F194 HydrophobicContact CG-CZ 3.89Å; Y162-F194 AromaticContact CZ-CZ 3.53Å; N165-F194 HydrophobicContact CB-CE1 4.44Å; L190-F194 PolarHBondContact O-N 2.97Å; F191-F194 HydrophobicContact CE2-CD1 4.47Å; F191-F194 WeakPolarHBondContact O-CB 3.45Å; F191-F194 PolarHBondContact O-N 2.67Å; F194-A196 VanDerWaalsContact C-N 3.31Å; F194-A196 HydrophobicContact CD1-CB 3.98Å; F194-A196 HydrophobicContact CE1-CB 3.53Å; F194-A196 HydrophobicContact CZ-CB 4.01Å; F194-A196 PolarHBondContact O-N 2.72Å; F194-A196 VanDerWaalsContact O-N 3.15Å; F194-A197 HydrophobicContact CB-CB 4.23Å; F194-A197 HydrophobicContact CD1-CB 4.12Å; F194-A197 WeakPolarHBondContact O-CB 3.48Å; F194-A197 PolarHBondContact O-N 2.91Å; F194-V198 PolarHBondContact O-N 3.48Å
195P81.3Confident84.5Confident82 Ų8239.8 Ų39.853%0.53221%0.213SC..Hα-helixtrans-54.3-41.2-170-31.336.4000114.7D193 V198 N199D193-P195 WeakPolarHBondContact O-CD 3.33Å; P195-V198 PolarHBondContact O-N 3.18Å; P195-N199 VanDerWaalsContact O-CG 3.26Å; P195-N199 PolarHBondContact O-N 2.71Å; P195-N199 PolarHBondContact O-ND2 2.98Å
196A78.5Confident83.9Confident0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-66.3-38178.400000113E92 Y162 F194 N199 R200E92-A196 VanDerWaalsContact OE1-CB 3.26Å; E92-A196 WeakPolarHBondContact OE1-CB 3.48Å; E92-A196 WeakPolarHBondContact OE2-CB 3.01Å; Y162-A196 HydrophobicContact CD1-CB 4.28Å; Y162-A196 HydrophobicContact CE1-CB 3.91Å; F194-A196 VanDerWaalsContact C-N 3.31Å; F194-A196 HydrophobicContact CD1-CB 3.98Å; F194-A196 HydrophobicContact CE1-CB 3.53Å; F194-A196 HydrophobicContact CZ-CB 4.01Å; F194-A196 PolarHBondContact O-N 2.72Å; F194-A196 VanDerWaalsContact O-N 3.15Å; A196-N199 PolarHBondContact O-N 3.28Å; A196-R200 WeakPolarHBondContact O-CB 3.36Å; A196-R200 PolarHBondContact O-N 3.23Å
197A84.3Confident83.6Confident0 Ų040 Ų400%022%0.221CC..Hα-helixtrans-66.7-39.617500000111.4N165 F191 F194 R200 K201N165-A197 WeakPolarHBondContact OD1-CA 3.34Å; F191-A197 HydrophobicContact CZ-CB 4.38Å; F194-A197 HydrophobicContact CB-CB 4.23Å; F194-A197 HydrophobicContact CD1-CB 4.12Å; F194-A197 WeakPolarHBondContact O-CB 3.48Å; F194-A197 PolarHBondContact O-N 2.91Å; A197-R200 PolarHBondContact O-N 3.42Å; A197-K201 WeakPolarHBondContact O-CE 3.28Å; A197-K201 WeakPolarHBondContact O-CG 3.4Å; A197-K201 PolarHBondContact O-N 2.94Å
198V83.8Confident83.2Confident9 Ų945.8 Ų45.86%0.05526%0.261CS..Hα-helixtrans-61.7-47.3174.1174.50000111.2F194 P195 R200 K201 K202 S568F194-V198 PolarHBondContact O-N 3.48Å; P195-V198 PolarHBondContact O-N 3.18Å; V198-R200 PolarHBondContact O-N 3.05Å; V198-K201 PolarHBondContact O-N 2.76Å; V198-K202 HydrophobicContact CG1-CD 4.36Å; V198-K202 WeakPolarHBondContact O-CG 3.33Å; V198-K202 PolarHBondContact O-N 2.94Å; V198-S568 WeakPolarHBondContact CG1-OG 3.48Å; V198-S568 VanDerWaalsContact CG2-OG 3.24Å; V198-S568 WeakPolarHBondContact CG2-OG 3.43Å
199N80.2Confident82.7Confident30 Ų3051.4 Ų51.416%0.1629%0.288CS..Hα-helixtrans-62.2-43.2178.4-70.1-22.1000111.5Y108 P195 A196 K201 K202 S203Y108-N199 HydrophobicContact CD2-CB 4.39Å; P195-N199 VanDerWaalsContact O-CG 3.26Å; P195-N199 PolarHBondContact O-N 2.71Å; P195-N199 PolarHBondContact O-ND2 2.98Å; A196-N199 PolarHBondContact O-N 3.28Å; N199-K201 PolarHBondContact O-N 3.36Å; N199-K202 PolarHBondContact O-N 2.94Å; N199-S203 PolarHBondContact O-N 2.88Å
200R85.1Confident82.5Confident0 Ų053.8 Ų53.80%029%0.29CS..Hα-helixtrans-55.5-50.4173.2163168.662.782.417.7111.7Y108 N165 F168 W169 I173 E175 A196 A197 V198 K202 S203 L204Y108-R200 HydrophobicContact CE1-CB 4.47Å; N165-R200 PolarHBondContact OD1-NE 3Å; N165-R200 PolarHBondContact OD1-NH2 3.07Å; F168-R200 VanDerWaalsContact CB-NH1 3.35Å; W169-R200 HydrophobicContact CE3-CB 3.75Å; W169-R200 HydrophobicContact CE3-CG 3.38Å; W169-R200 HydrophobicContact CZ3-CB 3.93Å; W169-R200 HydrophobicContact CZ3-CG 3.72Å; I173-R200 PolarHBondContact O-NH1 3.03Å; E175-R200 IonicContact OE1-NH2 2.9Å; E175-R200 PolarHBondContact OE1-NH2 3.28Å; E175-R200 IonicContact OE2-CZ 2.59Å; E175-R200 IonicContact OE2-NH1 3.67Å; E175-R200 PolarHBondContact OE2-NH1 3.25Å; E175-R200 IonicContact OE2-NH2 3.66Å; E175-R200 PolarHBondContact OE2-NH2 2.79Å; A196-R200 WeakPolarHBondContact O-CB 3.36Å; A196-R200 PolarHBondContact O-N 3.23Å; A197-R200 PolarHBondContact O-N 3.42Å; V198-R200 PolarHBondContact O-N 3.05Å; R200-K202 VanDerWaalsContact C-N 3.32Å; R200-K202 PolarHBondContact O-N 3.49Å; R200-S203 PolarHBondContact O-N 3.34Å; R200-L204 HydrophobicContact CG-CD1 3.68Å; R200-L204 HydrophobicContact CG-CG 4.33Å; R200-L204 WeakPolarHBondContact O-CG 3.48Å; R200-L204 PolarHBondContact O-N 2.78Å
201K85.3Confident82.5Confident12 Ų1250.4 Ų50.45%0.05228%0.275CS..Hα-helixtrans-60.8-39.9-179.1-75.4-177.7-69.2-142.50112.3V174 E175 A197 V198 N199 L204 H205 L569V174-K201 HydrophobicContact CG1-CG 4.32Å; E175-K201 WeakPolarHBondContact OE1-CD 3.35Å; E175-K201 WeakPolarHBondContact OE1-CE 3.39Å; E175-K201 IonicContact OE1-NZ 2.67Å; E175-K201 PolarHBondContact OE1-NZ 3.24Å; A197-K201 WeakPolarHBondContact O-CE 3.28Å; A197-K201 WeakPolarHBondContact O-CG 3.4Å; A197-K201 PolarHBondContact O-N 2.94Å; V198-K201 PolarHBondContact O-N 2.76Å; N199-K201 PolarHBondContact O-N 3.36Å; K201-L204 PolarHBondContact O-N 3.31Å; K201-H205 PolarHBondContact O-N 2.79Å; K201-L569 HydrophobicContact CB-CD1 4.49Å; K201-L569 HydrophobicContact CD-CD1 4.07Å
202K83.6Confident82.6Confident119 Ų11952.4 Ų52.452%0.51729%0.287SS..Hα-helixtrans-62.3-45.8174.7-73177.5179.7177.90111.7V198 N199 R200 H205V198-K202 HydrophobicContact CG1-CD 4.36Å; V198-K202 WeakPolarHBondContact O-CG 3.33Å; V198-K202 PolarHBondContact O-N 2.94Å; N199-K202 PolarHBondContact O-N 2.94Å; R200-K202 VanDerWaalsContact C-N 3.32Å; R200-K202 PolarHBondContact O-N 3.49Å; K202-H205 WeakPolarHBondContact O-CB 3.28Å; K202-H205 PolarHBondContact O-N 2.92Å
203S80.1Confident82.7Confident61 Ų6152.4 Ų52.443%0.42729%0.287SS..Hα-helixtrans-64-41.4178.6-172.20000112.1Y108 W169 N199 R200 H205Y108-S203 PolarHBondContact O-OG 2.78Å; Y108-S203 VanDerWaalsContact O-OG 3.11Å; W169-S203 WeakPolarHBondContact CH2-OG 3.48Å; N199-S203 PolarHBondContact O-N 2.88Å; R200-S203 PolarHBondContact O-N 3.34Å; S203-H205 VanDerWaalsContact C-N 3.35Å; S203-H205 PolarHBondContact O-N 3.32Å
204L82.7Confident83.1Confident9 Ų948.9 Ų48.95%0.04727%0.268CS..Hα-helixtrans-80-9.6179.2-66.9176.7000114.5W169 K172 I173 V174 R200 K201 N206 S207 K210W169-L204 HydrophobicContact CE3-CD1 4.4Å; W169-L204 HydrophobicContact CE3-CG 4.49Å; W169-L204 HydrophobicContact CH2-CD2 4.3Å; W169-L204 HydrophobicContact CH2-CG 4.38Å; W169-L204 HydrophobicContact CZ3-CD1 4.33Å; W169-L204 HydrophobicContact CZ3-CD2 4.31Å; W169-L204 HydrophobicContact CZ3-CG 3.95Å; K172-L204 HydrophobicContact CB-CD2 4.34Å; I173-L204 WeakPolarHBondContact O-CD1 3.07Å; V174-L204 HydrophobicContact CG2-CB 3.89Å; V174-L204 HydrophobicContact CG2-CD1 4.49Å; R200-L204 HydrophobicContact CG-CD1 3.68Å; R200-L204 HydrophobicContact CG-CG 4.33Å; R200-L204 WeakPolarHBondContact O-CG 3.48Å; R200-L204 PolarHBondContact O-N 2.78Å; K201-L204 PolarHBondContact O-N 3.31Å; L204-N206 PolarHBondContact O-N 2.91Å; L204-N206 VanDerWaalsContact O-N 3.12Å; L204-S207 PolarHBondContact O-N 3.39Å; L204-K210 WeakPolarHBondContact O-CD 3.46Å
205H78.5Confident83.5Confident113 Ų11348.6 Ų48.652%0.52327%0.267SS..THydrogen-bonded Turntrans-53-41.4-171.8-175.2-82.7000112.8K201 K202 S203 K210K201-H205 PolarHBondContact O-N 2.79Å; K202-H205 WeakPolarHBondContact O-CB 3.28Å; K202-H205 PolarHBondContact O-N 2.92Å; S203-H205 VanDerWaalsContact C-N 3.35Å; S203-H205 PolarHBondContact O-N 3.32Å; H205-K210 PolarHBondContact O-NZ 2.69Å
206N75Confident84.1Confident148 Ų14844.7 Ų44.779%0.79124%0.242SC*.THydrogen-bonded Turntrans-103.37.4-178-64.7-19.3000113.8L204L204-N206 PolarHBondContact O-N 2.91Å; L204-N206 VanDerWaalsContact O-N 3.12Å
207S78.1Confident84.7Confident32 Ų3244.7 Ų44.722%0.22424%0.242CC..  trans-76.1133178.1178.90000111.1L204 E209 K210L204-S207 PolarHBondContact O-N 3.39Å; S207-E209 PolarHBondContact O-N 3.01Å; S207-E209 PolarHBondContact OG-N 3.26Å; S207-K210 WeakPolarHBondContact O-CD 3.27Å; S207-K210 WeakPolarHBondContact O-CG 3.46Å
208S78.1Confident84.8Confident123 Ų12344.7 Ų44.786%0.8624%0.242SC*.THydrogen-bonded Turntrans-70.7-18.3173.252.10000113.1
209E79.2Confident84.7Confident117 Ų11744.6 Ų44.655%0.54724%0.241SC..THydrogen-bonded Turntrans-96.35.3-176.9-58.6176.2120.300112.8K172 S207K172-E209 HydrophobicContact CD-CB 3.66Å; K172-E209 IonicContact NZ-OE1 2.73Å; K172-E209 PolarHBondContact NZ-OE1 2.7Å; K172-E209 IonicContact NZ-OE2 3.98Å; K172-E209 PolarHBondContact NZ-OE2 3.09Å; S207-E209 PolarHBondContact O-N 3.01Å; S207-E209 PolarHBondContact OG-N 3.26Å
210K84.4Confident84.4Confident92 Ų9245.9 Ų45.940%0.425%0.246SC..  trans-67142.1-179.374.1-173.8177.6179.60111.3K172 V174 L204 H205 S207K172-K210 CarbonylContact O-C 3.57Å; K172-K210 WeakPolarHBondContact O-CA 3.47Å; V174-K210 HydrophobicContact CG2-CB 4.21Å; V174-K210 HydrophobicContact CG2-CD 4.27Å; L204-K210 WeakPolarHBondContact O-CD 3.46Å; H205-K210 PolarHBondContact O-NZ 2.69Å; S207-K210 WeakPolarHBondContact O-CD 3.27Å; S207-K210 WeakPolarHBondContact O-CG 3.46Å
211C87.7Confident83.7Confident30 Ų3049.3 Ų49.320%0.20327%0.27CS..EExtended strand (participates in β ladder)trans-113.5138.1173-680000109.8K172 I173 V174 Y603K172-C211 PolarHBondContact O-N 2.78Å; I173-C211 CarbonylContact C-O 3.55Å; I173-C211 VanDerWaalsContact CA-O 3.27Å; I173-C211 WeakPolarHBondContact CA-O 3.24Å; V174-C211 PolarHBondContact N-O 3.47Å; C211-Y603 HydrophobicContact CB-CD2 3.88Å; C211-Y603 HydrophobicContact CB-CE2 3.54Å
212T89.6Confident83Confident42 Ų4249.1 Ų49.126%0.25827%0.269SS..EExtended strand (participates in β ladder)trans-83.9138174.959.50000110.7V174 S601 D602 Y603V174-T212 WeakPolarHBondContact O-CA 3.46Å; T212-S601 WeakPolarHBondContact OG1-CA 2.95Å; T212-D602 PolarHBondContact N-OD2 3.39Å; T212-D602 WeakPolarHBondContact O-CB 3.34Å; T212-D602 PolarHBondContact O-N 3.22Å; T212-D602 PolarHBondContact OG1-N 3.05Å; T212-D602 PolarHBondContact OG1-OD2 3.25Å; T212-Y603 PolarHBondContact O-N 2.95Å
213A91.7Very high82.3Confident1 Ų143.6 Ų43.61%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-132.9142.9175.100000112.4I173 V174 E175 E176 V215 Y603 I605I173-A213 HydrophobicContact CB-CB 4.46Å; I173-A213 HydrophobicContact CD1-CB 4.43Å; I173-A213 HydrophobicContact CG1-CB 4.32Å; I173-A213 HydrophobicContact CG2-CB 3.37Å; V174-A213 PolarHBondContact O-N 3.42Å; E175-A213 CarbonylContact C-O 3.55Å; E175-A213 VanDerWaalsContact CA-O 3.27Å; E175-A213 WeakPolarHBondContact CA-O 3.16Å; E175-A213 HydrophobicContact CB-CB 4.44Å; E176-A213 PolarHBondContact N-O 2.98Å; A213-V215 HydrophobicContact CB-CG2 4.38Å; A213-Y603 CarbonylContact C-O 3.58Å; A213-Y603 VanDerWaalsContact CA-O 3.31Å; A213-Y603 WeakPolarHBondContact CA-O 3.42Å; A213-I605 HydrophobicContact CB-CD1 3.85Å; A213-I605 HydrophobicContact CB-CG1 4.2Å
214S92.5Very high81.5Confident0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-100.6111.3163.3-75.30000109.1L598 S601 Y603 I605S214-L598 VanDerWaalsContact CB-CD1 3.47Å; S214-L598 PolarHBondContact OG-O 2.63Å; S214-S601 PolarHBondContact N-OG 3.49Å; S214-S601 PolarHBondContact OG-OG 3.02Å; S214-Y603 PolarHBondContact N-O 3.4Å; S214-I605 PolarHBondContact O-N 3.49Å
215V94.2Very high80.8Confident0 Ų043.2 Ų43.20%024%0.242CC..EExtended strand (participates in β ladder)trans-99.8114.8-176.8178.40000109F168 E175 E176 V177 Y178 A213 F217 I605 V607F168-V215 HydrophobicContact CE1-CG2 4.39Å; F168-V215 HydrophobicContact CE2-CB 4.48Å; F168-V215 HydrophobicContact CE2-CG1 4.17Å; F168-V215 HydrophobicContact CE2-CG2 3.57Å; F168-V215 HydrophobicContact CZ-CB 4.36Å; F168-V215 HydrophobicContact CZ-CG1 3.91Å; F168-V215 HydrophobicContact CZ-CG2 3.44Å; F168-V215 VanDerWaalsContact CZ-CG2 3.44Å; E175-V215 HydrophobicContact CB-CB 4.35Å; E175-V215 HydrophobicContact CB-CG2 3.47Å; E175-V215 VanDerWaalsContact CB-CG2 3.47Å; E175-V215 HydrophobicContact CG-CG2 4.04Å; E176-V215 PolarHBondContact O-N 3.41Å; V177-V215 CarbonylContact C-O 3.5Å; Y178-V215 PolarHBondContact N-O 2.77Å; A213-V215 HydrophobicContact CB-CG2 4.38Å; V215-F217 HydrophobicContact CG1-CD2 4.34Å; V215-F217 HydrophobicContact CG1-CE2 3.88Å; V215-F217 HydrophobicContact CG1-CZ 4.45Å; V215-I605 CarbonylContact C-O 3.57Å; V215-I605 WeakPolarHBondContact CA-O 3.3Å; V215-I605 HydrophobicContact CG2-CB 4.06Å; V215-I605 HydrophobicContact CG2-CD1 4.28Å; V215-I605 HydrophobicContact CG2-CG1 4.47Å; V215-V607 HydrophobicContact CG1-CG2 3.97Å
216I92.7Very high80.2Confident0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-112.1108.5-174.5-47.7176.9000108.9F180 I218 M540 L544 I561 L598 I604 I605 L606 V607F180-I216 HydrophobicContact CB-CG2 3.98Å; I216-I218 HydrophobicContact CG2-CG1 4.22Å; I216-M540 HydrophobicContact CD1-CE 4.24Å; I216-M540 HydrophobicContact CD1-SD 4.49Å; I216-L544 HydrophobicContact CD1-CD1 4.36Å; I216-I561 HydrophobicContact CD1-CD1 4.48Å; I216-L598 HydrophobicContact CD1-CD1 4.07Å; I216-L598 HydrophobicContact CD1-CD2 4.36Å; I216-L598 HydrophobicContact CG1-CD1 4.21Å; I216-I604 HydrophobicContact CD1-CG2 4.22Å; I216-I605 PolarHBondContact N-O 3.04Å; I216-L606 HydrophobicContact CB-CD2 4.07Å; I216-L606 HydrophobicContact CD1-CD2 3.95Å; I216-L606 HydrophobicContact CG1-CD2 4.35Å; I216-V607 PolarHBondContact O-N 2.93Å
217F91.2Very high79.9Confident0 Ų031.6 Ų31.60%018%0.184CC..EExtended strand (participates in β ladder)trans-77.6131.2169.1-69.3-93.5000109.7I164 V177 Y178 S179 F180 S184 V187 A188 F191 V215 V607 M609I164-F217 HydrophobicContact CD1-CE1 4.38Å; V177-F217 HydrophobicContact CG1-CD2 3.92Å; V177-F217 HydrophobicContact CG1-CE2 3.8Å; Y178-F217 PolarHBondContact O-N 2.72Å; S179-F217 CarbonylContact C-O 3.4Å; S179-F217 WeakPolarHBondContact CA-O 3.37Å; F180-F217 PolarHBondContact N-O 2.84Å; S184-F217 WeakPolarHBondContact CB-O 2.97Å; S184-F217 PolarHBondContact OG-O 3.48Å; V187-F217 HydrophobicContact CG1-CE1 4.49Å; A188-F217 HydrophobicContact CB-CB 4.09Å; A188-F217 HydrophobicContact CB-CD2 3.7Å; A188-F217 HydrophobicContact CB-CE2 4.49Å; A188-F217 HydrophobicContact CB-CG 4.1Å; F191-F217 HydrophobicContact CB-CE2 3.9Å; F191-F217 HydrophobicContact CB-CZ 3.67Å; F191-F217 AromaticContact CD1-CE2 3.71Å; F191-F217 HydrophobicContact CD1-CE2 3.71Å; F191-F217 AromaticContact CD1-CZ 3.72Å; F191-F217 HydrophobicContact CD1-CZ 3.72Å; F191-F217 HydrophobicContact CD2-CZ 4.15Å; F191-F217 HydrophobicContact CE1-CZ 4.42Å; F191-F217 AromaticContact CG-CE2 3.93Å; F191-F217 HydrophobicContact CG-CE2 3.93Å; F191-F217 AromaticContact CG-CZ 3.55Å; F191-F217 HydrophobicContact CG-CZ 3.55Å; V215-F217 HydrophobicContact CG1-CD2 4.34Å; V215-F217 HydrophobicContact CG1-CE2 3.88Å; V215-F217 HydrophobicContact CG1-CZ 4.45Å; F217-V607 WeakPolarHBondContact CA-O 3.48Å; F217-V607 HydrophobicContact CD1-CB 3.81Å; F217-V607 HydrophobicContact CD1-CG1 3.75Å; F217-V607 HydrophobicContact CE1-CB 4.05Å; F217-V607 HydrophobicContact CE1-CG1 3.73Å; F217-V607 HydrophobicContact CE1-CG2 4.39Å; F217-V607 HydrophobicContact CG-CB 4.31Å; F217-M609 HydrophobicContact CB-CG 4.49Å; F217-M609 HydrophobicContact CB-SD 4.38Å; F217-M609 HydrophobicContact CD1-SD 3.65Å; F217-M609 HydrophobicContact CE1-SD 4.48Å; F217-M609 HydrophobicContact CG-SD 4.5Å
218I87.2Confident79.6Confident0 Ų030.3 Ų30.30%018%0.175CC..EExtended strand (participates in β ladder)trans-120.6128.7-170-63.4156.3000110.2F180 I216 I222 V223 L537 L606 V607 P608 M609F180-I218 HydrophobicContact CB-CG1 4.42Å; F180-I218 HydrophobicContact CD1-CG2 4.47Å; I216-I218 HydrophobicContact CG2-CG1 4.22Å; I218-I222 HydrophobicContact CG2-CB 3.92Å; I218-I222 HydrophobicContact CG2-CD1 4.42Å; I218-I222 HydrophobicContact CG2-CG2 4.16Å; I218-V223 HydrophobicContact CG2-CG2 3.99Å; I218-L537 HydrophobicContact CD1-CD1 4.25Å; I218-L537 HydrophobicContact CD1-CD2 3.56Å; I218-L537 HydrophobicContact CG1-CD2 3.92Å; I218-L537 HydrophobicContact CG2-CD1 4.2Å; I218-L537 HydrophobicContact CG2-CD2 3.79Å; I218-L537 HydrophobicContact CG2-CG 4.45Å; I218-L606 HydrophobicContact CD1-CB 3.75Å; I218-L606 HydrophobicContact CD1-CD1 4.32Å; I218-L606 HydrophobicContact CD1-CD2 4.11Å; I218-L606 HydrophobicContact CD1-CG 4.25Å; I218-V607 PolarHBondContact N-O 3.25Å; I218-P608 HydrophobicContact CD1-CG 4.41Å; I218-M609 WeakPolarHBondContact O-CB 3.39Å; I218-M609 WeakPolarHBondContact O-CG 3.49Å; I218-M609 PolarHBondContact O-N 2.81Å
219D81.1Confident79.3Confident8 Ų825 Ų254%0.04314%0.138CC..  trans-57.7142.3173.9-79.635000113.2F180 G181 Q182 T183 S184 S221 I222F180-D219 PolarHBondContact O-N 2.93Å; G181-D219 VanDerWaalsContact CA-CG 3.43Å; G181-D219 VanDerWaalsContact CA-OD1 3.26Å; G181-D219 WeakPolarHBondContact CA-OD1 3.25Å; Q182-D219 PolarHBondContact N-OD1 3.49Å; Q182-D219 PolarHBondContact N-OD2 2.94Å; T183-D219 PolarHBondContact N-OD1 3.49Å; T183-D219 PolarHBondContact N-OD2 3.46Å; T183-D219 PolarHBondContact OG1-OD1 3.44Å; T183-D219 VanDerWaalsContact OG1-OD1 3.14Å; T183-D219 PolarHBondContact OG1-OD2 3.26Å; S184-D219 WeakPolarHBondContact CA-OD1 3.23Å; S184-D219 WeakPolarHBondContact CB-OD1 3.31Å; S184-D219 PolarHBondContact N-OD1 2.88Å; S184-D219 PolarHBondContact OG-OD1 3.42Å; D219-S221 PolarHBondContact O-N 3.09Å; D219-S221 VanDerWaalsContact O-N 3.16Å; D219-I222 HydrophobicContact CB-CD1 3.98Å; D219-I222 HydrophobicContact CB-CG1 3.97Å; D219-I222 WeakPolarHBondContact O-CB 3.38Å; D219-I222 PolarHBondContact O-N 3.39Å
220E74.4Confident79.2Confident57 Ų5719.4 Ų19.427%0.26611%0.112SC..Hα-helixtrans-53.6-36.3175.1-171.7169.3-153.900112.8I222 V223 M609 G612E220-I222 PolarHBondContact O-N 3.32Å; E220-I222 VanDerWaalsContact O-N 3.16Å; E220-V223 WeakPolarHBondContact O-CB 3.49Å; E220-V223 PolarHBondContact O-N 3.02Å; E220-V223 VanDerWaalsContact O-N 3.11Å; E220-M609 WeakPolarHBondContact CA-O 3.46Å; E220-M609 VanDerWaalsContact CB-O 3.28Å; E220-M609 WeakPolarHBondContact CB-O 3.42Å; E220-G612 WeakPolarHBondContact OE1-CA 3.41Å; E220-G612 PolarHBondContact OE1-N 3.39Å
221S69.9Low78.9Confident72 Ų7216.9 Ų16.950%0.50310%0.101SC..Hα-helixtrans-62.7-23.7179.759.60000113.9D219D219-S221 PolarHBondContact O-N 3.09Å; D219-S221 VanDerWaalsContact O-N 3.16Å
222I71.2Confident78.5Confident7 Ų716 Ų164%0.03610%0.095CC..Hα-helixtrans-86.9-23.8-178.8-52.1-179000110.7F180 I218 D219 E220 L519 L537F180-I222 HydrophobicContact CB-CD1 4.47Å; F180-I222 HydrophobicContact CD1-CD1 3.41Å; F180-I222 VanDerWaalsContact CD1-CD1 3.41Å; F180-I222 HydrophobicContact CD1-CG2 3.84Å; F180-I222 HydrophobicContact CE1-CD1 3.7Å; F180-I222 HydrophobicContact CE1-CG2 3.49Å; F180-I222 VanDerWaalsContact CE1-CG2 3.49Å; F180-I222 HydrophobicContact CG-CD1 3.89Å; F180-I222 HydrophobicContact CZ-CD1 4.37Å; F180-I222 WeakPolarHBondContact O-CD1 3.45Å; I218-I222 HydrophobicContact CG2-CB 3.92Å; I218-I222 HydrophobicContact CG2-CD1 4.42Å; I218-I222 HydrophobicContact CG2-CG2 4.16Å; D219-I222 HydrophobicContact CB-CD1 3.98Å; D219-I222 HydrophobicContact CB-CG1 3.97Å; D219-I222 WeakPolarHBondContact O-CB 3.38Å; D219-I222 PolarHBondContact O-N 3.39Å; E220-I222 PolarHBondContact O-N 3.32Å; E220-I222 VanDerWaalsContact O-N 3.16Å; I222-L519 HydrophobicContact CB-CD2 4.36Å; I222-L519 HydrophobicContact CG1-CD2 3.89Å; I222-L537 HydrophobicContact CG2-CD2 4.04Å; I222-L537 HydrophobicContact CG2-CG 3.95Å
223V69.9Low78Confident4 Ų414.8 Ų14.82%0.0249%0.086CC..Hα-helixtrans-76.7-32.5-176177.70000111.9I218 E220 D225 P608 L614 L618I218-V223 HydrophobicContact CG2-CG2 3.99Å; E220-V223 WeakPolarHBondContact O-CB 3.49Å; E220-V223 PolarHBondContact O-N 3.02Å; E220-V223 VanDerWaalsContact O-N 3.11Å; V223-D225 VanDerWaalsContact C-N 3.3Å; V223-D225 PolarHBondContact O-N 3.31Å; V223-P608 HydrophobicContact CG2-CB 3.8Å; V223-L614 HydrophobicContact CG1-CB 4.33Å; V223-L614 HydrophobicContact CG1-CD1 3.58Å; V223-L618 WeakPolarHBondContact O-CD2 3.44Å
224C63.3Low77.4Confident52 Ų5214.8 Ų14.835%0.3519%0.086SC..  trans-72.380-177.4-63.60000112.1P226C224-P226 WeakPolarHBondContact O-CD 3.46Å
225D66.7Low76.6Confident10 Ų1018.5 Ų18.55%0.05310%0.1CC..  trans-83.8108.4158.7179.224.9000109.9V223 I227 A228 P535 L618V223-D225 VanDerWaalsContact C-N 3.3Å; V223-D225 PolarHBondContact O-N 3.31Å; D225-I227 PolarHBondContact O-N 2.85Å; D225-I227 WeakPolarHBondContact OD1-CB 3.41Å; D225-I227 PolarHBondContact OD1-N 2.89Å; D225-A228 HydrophobicContact CB-CB 4.23Å; D225-A228 PolarHBondContact OD2-N 2.86Å; D225-P535 HydrophobicContact CB-CB 4.23Å; D225-P535 HydrophobicContact CB-CG 3.95Å; D225-P535 WeakPolarHBondContact OD2-CG 3.29Å; D225-L618 HydrophobicContact CB-CD2 4.39Å
226P65.5Low75.7Confident2 Ų219.8 Ų19.81%0.01311%0.109CC..Hα-helixtrans-63-27.5176.831.7-41.1000111C224 C229 L230 F512 L660C224-P226 WeakPolarHBondContact O-CD 3.46Å; P226-C229 CarbonylContact O-C 3.6Å; P226-C229 WeakPolarHBondContact O-CB 3.4Å; P226-C229 PolarHBondContact O-N 3.5Å; P226-C229 VanDerWaalsContact O-N 3.15Å; P226-L230 HydrophobicContact CB-CD1 4.14Å; P226-L230 VanDerWaalsContact O-CB 3.31Å; P226-L230 WeakPolarHBondContact O-CB 3.35Å; P226-L230 WeakPolarHBondContact O-CD1 3.31Å; P226-L230 WeakPolarHBondContact O-CG 3.33Å; P226-L230 PolarHBondContact O-N 2.97Å; P226-F512 HydrophobicContact CB-CE1 4.36Å; P226-F512 HydrophobicContact CB-CE2 4.26Å; P226-F512 HydrophobicContact CB-CZ 4.02Å; P226-F512 HydrophobicContact CG-CD1 4.47Å; P226-F512 HydrophobicContact CG-CE1 3.5Å; P226-F512 HydrophobicContact CG-CE2 3.85Å; P226-F512 HydrophobicContact CG-CZ 3.17Å; P226-L660 HydrophobicContact CB-CD1 3.79Å; P226-L660 HydrophobicContact CB-CD2 4.02Å
227I68.4Low75.2Confident15 Ų1522.9 Ų22.98%0.07713%0.126CC..Hα-helixtrans-71.1-44.2-173.8-63-69.1000110D225 C229 L230 E231 Y533D225-I227 PolarHBondContact O-N 2.85Å; D225-I227 WeakPolarHBondContact OD1-CB 3.41Å; D225-I227 PolarHBondContact OD1-N 2.89Å; I227-C229 PolarHBondContact O-N 3.34Å; I227-L230 HydrophobicContact CD1-CD1 4.12Å; I227-L230 CarbonylContact O-C 3.53Å; I227-L230 PolarHBondContact O-N 3.23Å; I227-E231 WeakPolarHBondContact O-CB 3.19Å; I227-E231 PolarHBondContact O-N 3.13Å; I227-Y533 HydrophobicContact CB-CD1 4.24Å; I227-Y533 HydrophobicContact CD1-CD1 3.95Å; I227-Y533 HydrophobicContact CD1-CE1 3.67Å; I227-Y533 HydrophobicContact CG1-CD1 3.73Å; I227-Y533 HydrophobicContact CG1-CE1 4.01Å; I227-Y533 HydrophobicContact CG2-CD1 3.78Å; I227-Y533 HydrophobicContact CG2-CE1 4.11Å
228A72.1Confident75.1Confident4 Ų423.4 Ų23.43%0.03313%0.128CC..Hα-helixtrans-55.8-32.5169.500000113.4D225 P232 P615 L618D225-A228 HydrophobicContact CB-CB 4.23Å; D225-A228 PolarHBondContact OD2-N 2.86Å; A228-P232 WeakPolarHBondContact O-CD 3.18Å; A228-P615 HydrophobicContact CB-CB 3.69Å; A228-P615 HydrophobicContact CB-CG 4.27Å; A228-L618 HydrophobicContact CB-CB 4.05Å
229C72.8Confident75.2Confident12 Ų1223.5 Ų23.58%0.08113%0.128CC..Hα-helixtrans-78.8-27.4174.2-66.20000113.8P226 I227 Y233 P615P226-C229 CarbonylContact O-C 3.6Å; P226-C229 WeakPolarHBondContact O-CB 3.4Å; P226-C229 PolarHBondContact O-N 3.5Å; P226-C229 VanDerWaalsContact O-N 3.15Å; I227-C229 PolarHBondContact O-N 3.34Å; C229-Y233 WeakPolarHBondContact O-CD2 3.34Å; C229-P615 VanDerWaalsContact SG-CG 3.58Å
230L75.9Confident75.5Confident0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-90-28.6-177.1-69.5165.3000112.8P226 I227 Y233 T234 L448 T451 L657P226-L230 HydrophobicContact CB-CD1 4.14Å; P226-L230 VanDerWaalsContact O-CB 3.31Å; P226-L230 WeakPolarHBondContact O-CB 3.35Å; P226-L230 WeakPolarHBondContact O-CD1 3.31Å; P226-L230 WeakPolarHBondContact O-CG 3.33Å; P226-L230 PolarHBondContact O-N 2.97Å; I227-L230 HydrophobicContact CD1-CD1 4.12Å; I227-L230 CarbonylContact O-C 3.53Å; I227-L230 PolarHBondContact O-N 3.23Å; L230-Y233 PolarHBondContact O-N 3.36Å; L230-T234 WeakPolarHBondContact O-CG2 3.32Å; L230-T234 PolarHBondContact O-N 3.02Å; L230-T234 PolarHBondContact O-OG1 2.71Å; L230-L448 HydrophobicContact CD2-CB 4.49Å; L230-L448 HydrophobicContact CD2-CD2 3.17Å; L230-L448 HydrophobicContact CD2-CG 4.39Å; L230-T451 HydrophobicContact CD1-CG2 3.56Å; L230-L657 HydrophobicContact CD2-CD2 3.63Å; L230-L657 HydrophobicContact CG-CD2 4.27Å
231E78.7Confident76Confident38 Ų3820.7 Ų20.718%0.17812%0.115CC..Hα-helixtrans-52.3-44.7-179.1-171.4-179.7-168.100112.7I227 Y233 T234 R235 S236 N237I227-E231 WeakPolarHBondContact O-CB 3.19Å; I227-E231 PolarHBondContact O-N 3.13Å; E231-Y233 PolarHBondContact O-N 3.18Å; E231-Y233 VanDerWaalsContact O-N 3.1Å; E231-T234 WeakPolarHBondContact CA-OG1 3.32Å; E231-T234 PolarHBondContact O-N 3.29Å; E231-R235 CarbonylContact O-C 3.59Å; E231-R235 PolarHBondContact O-N 3.17Å; E231-S236 PolarHBondContact O-N 3.38Å; E231-N237 PolarHBondContact OE1-ND2 2.9Å; E231-N237 PolarHBondContact OE1-OD1 2.89Å
232P80.3Confident76.8Confident12 Ų1217.3 Ų17.38%0.0789%0.092CC..Hα-helixtrans-59.4-28.3178.9-18.127.2000113.7A228 D241 A245A228-P232 WeakPolarHBondContact O-CD 3.18Å; P232-D241 HydrophobicContact CB-CB 4.39Å; P232-D241 HydrophobicContact CG-CB 4.07Å; P232-A245 HydrophobicContact CB-CB 3.46Å; P232-A245 VanDerWaalsContact CB-CB 3.46Å; P232-A245 HydrophobicContact CG-CB 4.01Å
233Y79.1Confident77.7Confident16 Ų1617 Ų176%0.0639%0.09CC..Hα-helixtrans-91.3-27.6-179-61.8-70.8000113.6C229 L230 E231 A245 M395 L448 L495 G653 Q654 L657C229-Y233 WeakPolarHBondContact O-CD2 3.34Å; L230-Y233 PolarHBondContact O-N 3.36Å; E231-Y233 PolarHBondContact O-N 3.18Å; E231-Y233 VanDerWaalsContact O-N 3.1Å; Y233-A245 HydrophobicContact CE1-CB 4.37Å; Y233-A245 HydrophobicContact CE2-CB 4.32Å; Y233-A245 PolarHBondContact OH-O 3.16Å; Y233-M395 WeakPolarHBondContact O-CE 3.29Å; Y233-L448 HydrophobicContact CD2-CD2 4.46Å; Y233-L448 HydrophobicContact CG-CD1 4.36Å; Y233-L495 HydrophobicContact CD1-CD1 4.31Å; Y233-L495 HydrophobicContact CE1-CD1 4.27Å; Y233-L495 HydrophobicContact CE1-CD2 4.16Å; Y233-G653 WeakPolarHBondContact OH-CA 3.25Å; Y233-Q654 PolarHBondContact OH-N 3.46Å; Y233-L657 HydrophobicContact CD2-CD1 4.17Å; Y233-L657 HydrophobicContact CE2-CD1 3.7Å; Y233-L657 HydrophobicContact CE2-CG 4.37Å
234T78.2Confident78.3Confident1 Ų116.9 Ų16.91%0.0069%0.089CC..Hα-helixtrans-102-39.8-171.352.80000113.1L230 E231 M395 E396 L399 L448L230-T234 WeakPolarHBondContact O-CG2 3.32Å; L230-T234 PolarHBondContact O-N 3.02Å; L230-T234 PolarHBondContact O-OG1 2.71Å; E231-T234 WeakPolarHBondContact CA-OG1 3.32Å; E231-T234 PolarHBondContact O-N 3.29Å; T234-M395 HydrophobicContact CG2-CE 3.87Å; T234-M395 HydrophobicContact CG2-SD 3.82Å; T234-E396 WeakPolarHBondContact O-CG 3.48Å; T234-L399 HydrophobicContact CG2-CD1 4.19Å; T234-L448 HydrophobicContact CG2-CB 4.08Å
235R75.6Confident79.2Confident79 Ų7914.8 Ų14.830%0.2988%0.076SC..  trans-151.470.5179.2-73.7-166.7173.9156.210.3111.2E231 N237 E403E231-R235 CarbonylContact O-C 3.59Å; E231-R235 PolarHBondContact O-N 3.17Å; R235-N237 PolarHBondContact O-N 3.41Å; R235-E403 IonicContact CZ-OE1 3.32Å; R235-E403 IonicContact CZ-OE2 2.7Å; R235-E403 IonicContact NE-OE2 3.12Å; R235-E403 IonicContact NH1-OE1 3.73Å; R235-E403 PolarHBondContact NH1-OE1 2.94Å; R235-E403 IonicContact NH1-OE2 3.66Å; R235-E403 PolarHBondContact NH1-OE2 2.85Å; R235-E403 IonicContact NH2-OE2 2.65Å; R235-E403 PolarHBondContact NH2-OE2 3.41Å
236S76.3Confident79.9Confident27 Ų2716 Ų1619%0.1898%0.081CC..  trans-61.9115.6174.667.80000110.6E231 T242 K335E231-S236 PolarHBondContact O-N 3.38Å; S236-T242 WeakPolarHBondContact CB-OG1 3.37Å; S236-K335 PolarHBondContact OG-NZ 3.46Å
237N82.1Confident80.7Confident65 Ų6517.1 Ų17.135%0.3489%0.087SC..  trans-121.6-7.1172.956.1-0000111.9E231 R235 E303E231-N237 PolarHBondContact OE1-ND2 2.9Å; E231-N237 PolarHBondContact OE1-OD1 2.89Å; R235-N237 PolarHBondContact O-N 3.41Å; N237-E303 WeakPolarHBondContact O-CB 3.13Å; N237-E303 PolarHBondContact O-N 3.31Å
238H88.2Confident81.3Confident10 Ų1016.4 Ų16.45%0.0468%0.083CC..  trans-126.9132.8-179-71.6-75.6000111.1D241 T242 L301 R620H238-D241 HydrophobicContact CB-CB 4.13Å; H238-T242 PolarHBondContact O-N 2.88Å; H238-T242 PolarHBondContact O-OG1 3.14Å; H238-L301 PolarHBondContact ND1-O 3.05Å; H238-R620 PolarHBondContact CD2-NE 3.34Å; H238-R620 PolarHBondContact CD2-NH2 3.3Å; H238-R620 PolarHBondContact CE1-NE 2.9Å; H238-R620 PolarHBondContact NE2-NE 3.44Å; H238-R620 VanDerWaalsContact NE2-NE 3.15Å
239L90.2Very high81.1Confident2 Ų219.9 Ų19.91%0.0111%0.105CC..Hα-helixtrans-68.1-45.1-174.1-176.661.9000112T242 I243 L307 I310 V371 F375L239-T242 WeakPolarHBondContact O-CB 3.27Å; L239-T242 PolarHBondContact O-N 2.52Å; L239-I243 HydrophobicContact CD1-CD1 4.45Å; L239-I243 HydrophobicContact CG-CD1 3.98Å; L239-I243 WeakPolarHBondContact O-CG1 3.26Å; L239-I243 PolarHBondContact O-N 3.42Å; L239-L307 HydrophobicContact CD1-CD2 4.48Å; L239-L307 HydrophobicContact CD2-CD2 4.48Å; L239-I310 HydrophobicContact CD2-CD1 3.52Å; L239-V371 HydrophobicContact CD1-CG1 4.09Å; L239-V371 HydrophobicContact CD1-CG2 4.01Å; L239-V371 HydrophobicContact CD2-CG2 3.76Å; L239-V371 HydrophobicContact CG-CG2 4.14Å; L239-F375 HydrophobicContact CD1-CE1 4.03Å; L239-F375 HydrophobicContact CD1-CZ 3.99Å
240L86.9Confident80.7Confident5 Ų522.6 Ų22.63%0.02612%0.119CC..Hα-helixtrans-62.9-44.9-179.2-64.7-174.3000111.5F138 T242 I243 F244 L295 F299F138-L240 HydrophobicContact CE1-CD1 4.14Å; F138-L240 HydrophobicContact CZ-CD1 4.41Å; L240-T242 PolarHBondContact O-N 3.21Å; L240-I243 HydrophobicContact CD2-CD1 4.3Å; L240-I243 PolarHBondContact O-N 3.14Å; L240-F244 HydrophobicContact CB-CD2 4.48Å; L240-F244 VanDerWaalsContact O-CD2 3.3Å; L240-F244 WeakPolarHBondContact O-CD2 3.2Å; L240-F244 PolarHBondContact O-N 3.08Å; L240-L295 HydrophobicContact CD2-CD2 3.77Å; L240-F299 HydrophobicContact CD1-CD2 4.41Å
241D85.2Confident80.3Confident2 Ų222.7 Ų22.71%0.01112%0.12CC..Hα-helixtrans-52.1-43.9175.5-71.417.2000112.1P232 H238 A245 I616 R620P232-D241 HydrophobicContact CB-CB 4.39Å; P232-D241 HydrophobicContact CG-CB 4.07Å; H238-D241 HydrophobicContact CB-CB 4.13Å; D241-A245 WeakPolarHBondContact O-CB 3.43Å; D241-A245 PolarHBondContact O-N 2.8Å; D241-I616 WeakPolarHBondContact OD1-CG2 3.34Å; D241-R620 VanDerWaalsContact CG-NH1 3.26Å; D241-R620 IonicContact OD1-CZ 2.74Å; D241-R620 IonicContact OD1-NH1 3.23Å; D241-R620 PolarHBondContact OD1-NH1 3.45Å; D241-R620 IonicContact OD1-NH2 2.69Å; D241-R620 IonicContact OD2-CZ 3.39Å; D241-R620 VanDerWaalsContact OD2-CZ 3.32Å; D241-R620 IonicContact OD2-NH1 2.82Å; D241-R620 PolarHBondContact OD2-NH1 3.22Å; D241-R620 VanDerWaalsContact OD2-NH1 3.15Å; D241-R620 IonicContact OD2-NH2 3.47Å; D241-R620 PolarHBondContact OD2-NH2 3.33Å
242T87.2Confident79.7Confident1 Ų124 Ų241%0.00613%0.126CC..Hα-helixtrans-69-43.5178.5-46.20000111.1S236 H238 L239 L240 A245 E246 T374 I378S236-T242 WeakPolarHBondContact CB-OG1 3.37Å; H238-T242 PolarHBondContact O-N 2.88Å; H238-T242 PolarHBondContact O-OG1 3.14Å; L239-T242 WeakPolarHBondContact O-CB 3.27Å; L239-T242 PolarHBondContact O-N 2.52Å; L240-T242 PolarHBondContact O-N 3.21Å; T242-A245 PolarHBondContact O-N 2.76Å; T242-E246 HydrophobicContact CG2-CG 4.23Å; T242-E246 WeakPolarHBondContact O-CB 3.42Å; T242-E246 VanDerWaalsContact O-CG 3.3Å; T242-E246 WeakPolarHBondContact O-CG 3.33Å; T242-E246 PolarHBondContact O-N 3.33Å; T242-T374 HydrophobicContact CG2-CG2 3.4Å; T242-I378 HydrophobicContact CG2-CD1 3.31Å; T242-I378 HydrophobicContact CG2-CG1 4.3Å
243I88.6Confident79.4Confident1 Ų129.1 Ų29.11%0.00514%0.144CC..Hα-helixtrans-59.8-51.1176.7-68.5168.3000110.7L239 L240 A245 E246 L247 I254 L283 L367 A370 V371 T374L239-I243 HydrophobicContact CD1-CD1 4.45Å; L239-I243 HydrophobicContact CG-CD1 3.98Å; L239-I243 WeakPolarHBondContact O-CG1 3.26Å; L239-I243 PolarHBondContact O-N 3.42Å; L240-I243 HydrophobicContact CD2-CD1 4.3Å; L240-I243 PolarHBondContact O-N 3.14Å; I243-A245 VanDerWaalsContact C-N 3.28Å; I243-A245 PolarHBondContact O-N 3.45Å; I243-E246 PolarHBondContact O-N 3.5Å; I243-L247 HydrophobicContact CG2-CD1 4.29Å; I243-L247 WeakPolarHBondContact O-CB 3.42Å; I243-L247 PolarHBondContact O-N 3.25Å; I243-I254 HydrophobicContact CG2-CD1 4.15Å; I243-I254 HydrophobicContact CG2-CG2 4.06Å; I243-L283 HydrophobicContact CG2-CD2 4.35Å; I243-L367 HydrophobicContact CD1-CD1 4.32Å; I243-A370 HydrophobicContact CG2-CB 4.25Å; I243-V371 HydrophobicContact CD1-CG2 3.86Å; I243-T374 WeakPolarHBondContact CA-OG1 3.47Å; I243-T374 HydrophobicContact CG1-CG2 4.4Å
244F82.8Confident79.4Confident1 Ų128.4 Ų28.40%0.00414%0.141CC..Hα-helixtrans-60.9-39.7177.4-86.3-98.4000110.8L240 S248 I254 L284 I616 F650L240-F244 HydrophobicContact CB-CD2 4.48Å; L240-F244 VanDerWaalsContact O-CD2 3.3Å; L240-F244 WeakPolarHBondContact O-CD2 3.2Å; L240-F244 PolarHBondContact O-N 3.08Å; F244-S248 WeakPolarHBondContact O-CB 3.32Å; F244-S248 PolarHBondContact O-N 3.1Å; F244-I254 HydrophobicContact CD1-CD1 4Å; F244-I254 HydrophobicContact CD2-CD1 3.88Å; F244-I254 HydrophobicContact CE1-CD1 3.91Å; F244-I254 HydrophobicContact CE2-CD1 3.8Å; F244-I254 HydrophobicContact CG-CD1 4Å; F244-I254 HydrophobicContact CZ-CD1 3.83Å; F244-L284 HydrophobicContact CE1-CD1 3.87Å; F244-L284 HydrophobicContact CE1-CD2 4.29Å; F244-L284 HydrophobicContact CZ-CD1 4.25Å; F244-L284 HydrophobicContact CZ-CD2 3.81Å; F244-I616 HydrophobicContact CB-CG2 4.26Å; F244-I616 HydrophobicContact CD2-CG2 4.41Å; F244-I616 HydrophobicContact CE2-CG1 4.47Å; F244-I616 HydrophobicContact CG-CG2 4.28Å; F244-F650 HydrophobicContact CD1-CB 4.16Å; F244-F650 HydrophobicContact CE1-CB 3.72Å; F244-F650 HydrophobicContact CE1-CD2 4.15Å; F244-F650 HydrophobicContact CE1-CG 4.15Å; F244-F650 HydrophobicContact CZ-CD2 4.35Å
245A81.7Confident79.4Confident8 Ų832.4 Ų32.47%0.06616%0.162CC..Hα-helixtrans-68.1-37.4179.300000114.4P232 Y233 D241 T242 I243 G653P232-A245 HydrophobicContact CB-CB 3.46Å; P232-A245 VanDerWaalsContact CB-CB 3.46Å; P232-A245 HydrophobicContact CG-CB 4.01Å; Y233-A245 HydrophobicContact CE1-CB 4.37Å; Y233-A245 HydrophobicContact CE2-CB 4.32Å; Y233-A245 PolarHBondContact OH-O 3.16Å; D241-A245 WeakPolarHBondContact O-CB 3.43Å; D241-A245 PolarHBondContact O-N 2.8Å; T242-A245 PolarHBondContact O-N 2.76Å; I243-A245 VanDerWaalsContact C-N 3.28Å; I243-A245 PolarHBondContact O-N 3.45Å; A245-G653 WeakPolarHBondContact O-CA 3.4Å
246E82.9Confident79.9Confident36 Ų3628.7 Ų28.717%0.16815%0.148CC..Hα-helixtrans-93.8-27.9-173.4-64.4-74.2165.900112.6T242 I243 T374 S377 I378 R381T242-E246 HydrophobicContact CG2-CG 4.23Å; T242-E246 WeakPolarHBondContact O-CB 3.42Å; T242-E246 VanDerWaalsContact O-CG 3.3Å; T242-E246 WeakPolarHBondContact O-CG 3.33Å; T242-E246 PolarHBondContact O-N 3.33Å; I243-E246 PolarHBondContact O-N 3.5Å; E246-T374 HydrophobicContact CB-CG2 3.95Å; E246-T374 HydrophobicContact CG-CG2 3.93Å; E246-S377 WeakPolarHBondContact OE2-CB 3.37Å; E246-S377 PolarHBondContact OE2-OG 2.79Å; E246-I378 HydrophobicContact CG-CG1 4.08Å; E246-R381 IonicContact OE1-CZ 3.72Å; E246-R381 IonicContact OE1-NE 3.93Å; E246-R381 IonicContact OE1-NH2 3.85Å; E246-R381 PolarHBondContact OE1-NH2 2.92Å
247L82.6Confident80.3Confident25 Ų2528.3 Ų28.313%0.13115%0.146CC..Hα-helixtrans-116.3-2.6-172.9-56.7-175.2000115I243 P249 I254 A370 H373 T374I243-L247 HydrophobicContact CG2-CD1 4.29Å; I243-L247 WeakPolarHBondContact O-CB 3.42Å; I243-L247 PolarHBondContact O-N 3.25Å; L247-P249 VanDerWaalsContact C-CD 3.49Å; L247-P249 VanDerWaalsContact O-CD 3.31Å; L247-P249 WeakPolarHBondContact O-CD 3.49Å; L247-I254 HydrophobicContact CB-CG2 3.88Å; L247-I254 HydrophobicContact CD1-CG2 4.25Å; L247-A370 HydrophobicContact CD1-CB 4.02Å; L247-A370 WeakPolarHBondContact CD1-O 3.32Å; L247-H373 HydrophobicContact CD1-CB 4.1Å; L247-H373 HydrophobicContact CD2-CB 4.02Å; L247-T374 WeakPolarHBondContact CD1-OG1 3.36Å
248S79.6Confident80.5Confident0 Ų026.3 Ų26.30%013%0.133CC..  trans-116.174.9177.2-162.90000111.9F244 D250 G251 H252 R253F244-S248 WeakPolarHBondContact O-CB 3.32Å; F244-S248 PolarHBondContact O-N 3.1Å; S248-D250 VanDerWaalsContact C-N 3.29Å; S248-D250 PolarHBondContact O-N 2.86Å; S248-G251 PolarHBondContact O-N 3.45Å; S248-G251 WeakPolarHBondContact OG-CA 3.35Å; S248-G251 PolarHBondContact OG-N 3.13Å; S248-G251 PolarHBondContact OG-O 2.66Å; S248-H252 PolarHBondContact OG-N 3.21Å; S248-R253 VanDerWaalsContact CA-O 3.29Å; S248-R253 WeakPolarHBondContact CA-O 3.48Å; S248-R253 PolarHBondContact OG-O 3.13Å
249P68.2Low80Confident77 Ų7730.3 Ų30.350%0.515%0.152SC..THydrogen-bonded Turntrans-65.6-32.1-177.327.1-34.4000112.8L247 G655L247-P249 VanDerWaalsContact C-CD 3.49Å; L247-P249 VanDerWaalsContact O-CD 3.31Å; L247-P249 WeakPolarHBondContact O-CD 3.49Å; P249-G655 PolarHBondContact O-N 2.96Å; P249-G655 VanDerWaalsContact O-N 3.14Å
250D65.2Low79.2Confident69 Ų6935.6 Ų35.637%0.36918%0.176SC..THydrogen-bonded Turntrans-90-6.4177.364.30.2000113.1S248 H252 R253S248-D250 VanDerWaalsContact C-N 3.29Å; S248-D250 PolarHBondContact O-N 2.86Å; D250-H252 PolarHBondContact O-CD2 2.86Å; D250-H252 PolarHBondContact O-N 2.88Å; D250-H252 PolarHBondContact OD1-N 2.91Å; D250-R253 PolarHBondContact OD1-N 2.82Å
251G66.4Low78.5Confident1 Ų136.4 Ų36.41%0.0118%0.181CC..SBendtrans77.5-15-171.200000114.3S248 F650S248-G251 PolarHBondContact O-N 3.45Å; S248-G251 WeakPolarHBondContact OG-CA 3.35Å; S248-G251 PolarHBondContact OG-N 3.13Å; S248-G251 PolarHBondContact OG-O 2.66Å; G251-F650 CarbonylContact C-O 3.56Å
252H67Low77.4Confident67 Ų6739.1 Ų39.131%0.3120%0.2SC..SBendtrans-106.2-25.2-169.8-60.4-67.3000114.1S248 D250 L284S248-H252 PolarHBondContact OG-N 3.21Å; D250-H252 PolarHBondContact O-CD2 2.86Å; D250-H252 PolarHBondContact O-N 2.88Å; D250-H252 PolarHBondContact OD1-N 2.91Å; H252-L284 WeakPolarHBondContact O-CD1 3.35Å
253R72.9Confident75.6Confident119 Ų11948.6 Ų48.645%0.44924%0.241SC..  trans-128.5133.4-172.9-69.4-177.9169.4173.31.4111.4S248 D250 D282 S286S248-R253 VanDerWaalsContact CA-O 3.29Å; S248-R253 WeakPolarHBondContact CA-O 3.48Å; S248-R253 PolarHBondContact OG-O 3.13Å; D250-R253 PolarHBondContact OD1-N 2.82Å; R253-D282 WeakPolarHBondContact CG-OD2 3.36Å; R253-S286 VanDerWaalsContact CG-CB 3.5Å; R253-S286 WeakPolarHBondContact CG-OG 3.48Å; R253-S286 PolarHBondContact NE-OG 2.75Å
254I79.1Confident73.3Confident0 Ų053.5 Ų53.50%027%0.274CS..  trans-109.793.6170.9-65.9170.4000107.8I243 F244 L247 V256 D282 L283 L284I243-I254 HydrophobicContact CG2-CD1 4.15Å; I243-I254 HydrophobicContact CG2-CG2 4.06Å; F244-I254 HydrophobicContact CD1-CD1 4Å; F244-I254 HydrophobicContact CD2-CD1 3.88Å; F244-I254 HydrophobicContact CE1-CD1 3.91Å; F244-I254 HydrophobicContact CE2-CD1 3.8Å; F244-I254 HydrophobicContact CG-CD1 4Å; F244-I254 HydrophobicContact CZ-CD1 3.83Å; L247-I254 HydrophobicContact CB-CG2 3.88Å; L247-I254 HydrophobicContact CD1-CG2 4.25Å; I254-V256 HydrophobicContact CG2-CG2 4.19Å; I254-V256 PolarHBondContact O-N 3.38Å; I254-D282 PolarHBondContact N-OD1 3.1Å; I254-D282 CarbonylContact O-C 3.26Å; I254-D282 VanDerWaalsContact O-CA 3.31Å; I254-D282 WeakPolarHBondContact O-CA 3.39Å; I254-L283 HydrophobicContact CB-CB 3.81Å; I254-L283 HydrophobicContact CB-CD2 4.49Å; I254-L283 HydrophobicContact CD1-CD2 4.23Å; I254-L283 HydrophobicContact CG2-CB 3.64Å; I254-L283 HydrophobicContact CG2-CD2 3.85Å; I254-L283 HydrophobicContact CG2-CG 4.41Å; I254-L283 PolarHBondContact O-N 3.41Å; I254-L284 HydrophobicContact CB-CG 4.26Å; I254-L284 HydrophobicContact CD1-CD1 3.86Å; I254-L284 HydrophobicContact CD1-CD2 3.94Å; I254-L284 HydrophobicContact CD1-CG 3.74Å; I254-L284 HydrophobicContact CG1-CD1 3.87Å; I254-L284 HydrophobicContact CG1-CG 3.96Å
255N79.5Confident71.2Confident86 Ų8658.3 Ų58.346%0.4631%0.306SS..EExtended strand (participates in β ladder)trans-75.5118.2-179.5-70.5-37.4000110.6
256V85.3Confident69.3Low0 Ų063.1 Ų63.10%034%0.338CS..EExtended strand (participates in β ladder)trans-109.1113.1176.5-178.10000108.8I254 C280 T281 L283 Q366 L369 A370I254-V256 HydrophobicContact CG2-CG2 4.19Å; I254-V256 PolarHBondContact O-N 3.38Å; V256-C280 VanDerWaalsContact O-CA 3.31Å; V256-C280 WeakPolarHBondContact O-CA 3.38Å; V256-T281 PolarHBondContact N-O 3.35Å; V256-T281 PolarHBondContact O-N 2.92Å; V256-L283 HydrophobicContact CG2-CB 3.88Å; V256-L283 HydrophobicContact CG2-CD1 4.47Å; V256-Q366 HydrophobicContact CB-CG 4.24Å; V256-Q366 HydrophobicContact CG1-CG 4.2Å; V256-Q366 HydrophobicContact CG2-CG 4.32Å; V256-L369 HydrophobicContact CG1-CB 3.43Å; V256-L369 VanDerWaalsContact CG1-CB 3.43Å; V256-L369 HydrophobicContact CG1-CD1 4.14Å; V256-L369 HydrophobicContact CG1-CG 4.45Å; V256-A370 HydrophobicContact CG2-CB 3.8Å
257S85.1Confident67.2Low20 Ų2069.6 Ų69.614%0.1437%0.369CS..EExtended strand (participates in β ladder)trans-79.1132.4174.6172.30000111.3E259 H373S257-E259 WeakPolarHBondContact OG-CG 3.38Å; S257-E259 PolarHBondContact OG-N 3.3Å; S257-H373 PolarHBondContact O-NE2 3.25Å
258W85.5Confident65.2Low22 Ų2273.8 Ų73.88%0.08339%0.391CS..  trans-100.5-2.2175-63.875.5000112.5H260 L261 L279 T281 F350 L362 I365 Q366 L369W258-H260 PolarHBondContact O-N 2.96Å; W258-H260 VanDerWaalsContact O-N 3.08Å; W258-L261 HydrophobicContact CE3-CD1 3.71Å; W258-L261 HydrophobicContact CZ3-CD1 4.11Å; W258-L261 WeakPolarHBondContact O-CB 2.96Å; W258-L261 PolarHBondContact O-N 3.39Å; W258-L279 HydrophobicContact CB-CB 4.37Å; W258-L279 HydrophobicContact CB-CD2 3.58Å; W258-L279 HydrophobicContact CB-CG 3.81Å; W258-L279 WeakPolarHBondContact CB-O 3.22Å; W258-L279 HydrophobicContact CG-CD2 4.42Å; W258-L279 HydrophobicContact CG-CG 4.41Å; W258-L279 PolarHBondContact N-O 3.4Å; W258-T281 VanDerWaalsContact NE1-CG2 3.25Å; W258-T281 PolarHBondContact NE1-OG1 3.2Å; W258-F350 HydrophobicContact CE3-CD2 4.38Å; W258-F350 AromaticContact CE3-CE2 3.84Å; W258-F350 HydrophobicContact CE3-CE2 3.84Å; W258-F350 HydrophobicContact CZ3-CD2 4.06Å; W258-F350 AromaticContact CZ3-CE2 3.72Å; W258-F350 HydrophobicContact CZ3-CE2 3.72Å; W258-L362 HydrophobicContact CH2-CB 4.31Å; W258-L362 HydrophobicContact CZ3-CD2 4.48Å; W258-I365 HydrophobicContact CE3-CG2 4.44Å; W258-I365 HydrophobicContact CH2-CB 4.13Å; W258-I365 HydrophobicContact CH2-CG2 4.03Å; W258-I365 HydrophobicContact CZ3-CB 4.12Å; W258-I365 HydrophobicContact CZ3-CG2 3.58Å; W258-Q366 HydrophobicContact CH2-CB 4.01Å; W258-Q366 HydrophobicContact CZ2-CB 3.58Å; W258-Q366 HydrophobicContact CZ2-CG 3.74Å; W258-L369 HydrophobicContact CD2-CD1 3.69Å; W258-L369 HydrophobicContact CE3-CD1 3.73Å; W258-L369 HydrophobicContact CG-CD1 4.13Å; W258-L369 HydrophobicContact CH2-CD1 4.43Å; W258-L369 HydrophobicContact CZ2-CD1 4.45Å; W258-L369 HydrophobicContact CZ3-CD1 4.08Å
259E79Confident63.4Low95 Ų9583 Ų8344%0.44443%0.431SS..THydrogen-bonded Turntrans-55.8-33.5-173.2-66.2177.5153.300112.7S257 L261 S262 G278 L279S257-E259 WeakPolarHBondContact OG-CG 3.38Å; S257-E259 PolarHBondContact OG-N 3.3Å; E259-L261 PolarHBondContact O-N 3.01Å; E259-S262 PolarHBondContact O-N 3.2Å; E259-S262 PolarHBondContact O-OG 3.2Å; E259-G278 WeakPolarHBondContact OE1-CA 3.31Å; E259-L279 HydrophobicContact CG-CB 4.37Å
260H71.8Confident62.3Low113 Ų11383.6 Ų83.652%0.52344%0.438SS..THydrogen-bonded Turntrans-69.6-14.2179.1-63.390000114.4W258 K347 H373W258-H260 PolarHBondContact O-N 2.96Å; W258-H260 VanDerWaalsContact O-N 3.08Å; H260-K347 WeakPolarHBondContact O-CE 3.44Å; H260-H373 AromaticContact ND1-CE1 3.76Å
261L73.5Confident61.1Low22 Ų2288.5 Ų88.512%0.11545%0.452CS..THydrogen-bonded Turntrans-91.3-29.2173.9-63.7-179000112W258 E259 K263 I346 K347 F350 I365 L369W258-L261 HydrophobicContact CE3-CD1 3.71Å; W258-L261 HydrophobicContact CZ3-CD1 4.11Å; W258-L261 WeakPolarHBondContact O-CB 2.96Å; W258-L261 PolarHBondContact O-N 3.39Å; E259-L261 PolarHBondContact O-N 3.01Å; L261-K263 PolarHBondContact O-N 2.82Å; L261-K263 VanDerWaalsContact O-N 3.12Å; L261-I346 HydrophobicContact CD2-CB 4.44Å; L261-I346 HydrophobicContact CD2-CD1 3.86Å; L261-I346 HydrophobicContact CD2-CG1 3.84Å; L261-K347 HydrophobicContact CD2-CG 3.8Å; L261-F350 HydrophobicContact CB-CD1 4.33Å; L261-F350 HydrophobicContact CB-CG 4.47Å; L261-F350 HydrophobicContact CD1-CB 4.35Å; L261-F350 HydrophobicContact CD1-CD2 3.89Å; L261-F350 HydrophobicContact CD1-CE2 4.37Å; L261-F350 HydrophobicContact CD1-CG 4.07Å; L261-I365 HydrophobicContact CD1-CG2 3.79Å; L261-L369 HydrophobicContact CD1-CD1 3.75Å; L261-L369 HydrophobicContact CD1-CD2 4.26Å; L261-L369 HydrophobicContact CD1-CG 4.31Å; L261-L369 HydrophobicContact CG-CD1 4.48Å; L261-L369 HydrophobicContact CG-CD2 4.25Å
262S61.3Low59.7Low59 Ų5993 Ų9341%0.41348%0.479SS..  trans-79.69517760.70000110.5E259 C264E259-S262 PolarHBondContact O-N 3.2Å; E259-S262 PolarHBondContact O-OG 3.2Å; S262-C264 PolarHBondContact O-N 2.9Å
263K49.8Very low58.3Low200 Ų20099 Ų9987%0.8750%0.504SS*.  trans-74.463.5147.2-69.7-174.5-177.4178.70107.6L261 P265L261-K263 PolarHBondContact O-N 2.82Å; L261-K263 VanDerWaalsContact O-N 3.12Å; K263-P265 WeakPolarHBondContact O-CD 2.88Å
264C40Very low56.7Low104 Ų10498.5 Ų98.570%0.70352%0.515SS*.  trans-72.8111.6172.3-135.20000106.2S262 S266S262-C264 PolarHBondContact O-N 2.9Å; C264-S266 PolarHBondContact O-N 2.82Å
265P39.9Very low54.7Low102 Ų102104.1 Ų104.166%0.66254%0.544SS*.  trans-62.6116174.8-11.527.7000106.2K263 E267K263-P265 WeakPolarHBondContact O-CD 2.88Å; P265-E267 HydrophobicContact CB-CG 4.46Å; P265-E267 PolarHBondContact O-N 3.23Å
266S40.1Very low53Low108 Ų108104.4 Ų104.476%0.75555%0.553SS**THydrogen-bonded Turntrans-73.658.7178.744.30000110.6C264C264-S266 PolarHBondContact O-N 2.82Å
267E39.5Very low51.2Low173 Ų173112 Ų11281%0.80859%0.588SS**THydrogen-bonded Turntrans-84.4-21.1174.6-70.7-166.1163.800112.3P265P265-E267 HydrophobicContact CB-CG 4.46Å; P265-E267 PolarHBondContact O-N 3.23Å
268N39.8Very low50Low112 Ų112112.3 Ų112.360%0.59959%0.594SS**  trans-10791.7177.6-77.7-25.4000112.5S270 Y271N268-S270 PolarHBondContact O-N 2.8Å; N268-Y271 PolarHBondContact O-N 3.45Å
269K42.7Very low49.5Very low193 Ų193115.3 Ų115.384%0.83961%0.612SS**THydrogen-bonded Turntrans-54-19.3173.6-71.2-179.6178.1176.20114.2
270S45.9Very low49.5Very low91 Ų91114 Ų11464%0.63661%0.612SS**THydrogen-bonded Turntrans-74.8-30.9-179.854.30000114N268N268-S270 PolarHBondContact O-N 2.8Å
271Y38.7Very low49.9Very low172 Ų172110.9 Ų110.968%0.67560%0.601SS**G310 helixtrans-85-7.4-178.9-88.3-87.2000114N268 K273 T274N268-Y271 PolarHBondContact O-N 3.45Å; Y271-K273 VanDerWaalsContact C-N 3.29Å; Y271-K273 PolarHBondContact O-N 2.91Å; Y271-T274 PolarHBondContact O-N 3.03Å; Y271-T274 PolarHBondContact O-OG1 3.21Å
272V37.8Very low50Low94 Ų94110.8 Ų110.857%0.5760%0.601SS**G310 helixtrans-69-26.1-177.3-1790000112.2T274V272-T274 PolarHBondContact O-N 3.48Å
273K36.4Very low50.8Low193 Ų193108 Ų10884%0.83958%0.582SS**G310 helixtrans-73.3-24.7-179.7-90-174.7174.8-178.30114.1Y271Y271-K273 VanDerWaalsContact C-N 3.29Å; Y271-K273 PolarHBondContact O-N 2.91Å
274T39Very low51.5Low110 Ų11098.7 Ų98.768%0.67554%0.541SS*.THydrogen-bonded Turntrans-88-17.4-175.67.30000113.8Y271 V272Y271-T274 PolarHBondContact O-N 3.03Å; Y271-T274 PolarHBondContact O-OG1 3.21Å; V272-T274 PolarHBondContact O-N 3.48Å
275L38.4Very low52.4Low117 Ų11796.9 Ų96.961%0.61352%0.522SS*.THydrogen-bonded Turntrans-99.730.9174.8-70.3166.5000112.1H277L275-H277 CarbonylContact C-O 3.57Å; L275-H277 CarbonylContact O-C 3.58Å; L275-H277 PolarHBondContact O-N 2.94Å
276S42.5Very low52.9Low93 Ų9393.3 Ų93.365%0.6550%0.5SS*.  trans-60.8-22.7173.754.30000112.7
277H48.8Very low53.2Low158 Ų15894.1 Ų94.173%0.73150%0.5SS*.SBendtrans-92.5115.7163.6-59.8-67.9000107.3L275L275-H277 CarbonylContact C-O 3.57Å; L275-H277 CarbonylContact O-C 3.58Å; L275-H277 PolarHBondContact O-N 2.94Å
278G60.5Low53.6Low27 Ų2788 Ų8828%0.27847%0.472SS..  trans-48.3150.8178.500000112.2E259 C280E259-G278 WeakPolarHBondContact OE1-CA 3.31Å; G278-C280 PolarHBondContact O-N 3.41Å
279L73.8Confident53.8Low86 Ų8683.3 Ų83.345%0.4545%0.447SS..SBendtrans-65.986179.6-175.869.4000109W258 E259W258-L279 HydrophobicContact CB-CB 4.37Å; W258-L279 HydrophobicContact CB-CD2 3.58Å; W258-L279 HydrophobicContact CB-CG 3.81Å; W258-L279 WeakPolarHBondContact CB-O 3.22Å; W258-L279 HydrophobicContact CG-CD2 4.42Å; W258-L279 HydrophobicContact CG-CG 4.41Å; W258-L279 PolarHBondContact N-O 3.4Å; E259-L279 HydrophobicContact CG-CB 4.37Å
280C78.5Confident54Low66 Ų6674.2 Ų74.245%0.44641%0.408SS..EExtended strand (participates in β ladder)trans-120.3141.8-175.1-710000109.5V256 G278V256-C280 VanDerWaalsContact O-CA 3.31Å; V256-C280 WeakPolarHBondContact O-CA 3.38Å; G278-C280 PolarHBondContact O-N 3.41Å
281T81.2Confident54.2Low48 Ų4870 Ų7029%0.29438%0.378SS..EExtended strand (participates in β ladder)trans-120.5148168.156.30000108.3V256 W258 Q366V256-T281 PolarHBondContact N-O 3.35Å; V256-T281 PolarHBondContact O-N 2.92Å; W258-T281 VanDerWaalsContact NE1-CG2 3.25Å; W258-T281 PolarHBondContact NE1-OG1 3.2Å; T281-Q366 VanDerWaalsContact CB-NE2 3.28Å; T281-Q366 PolarHBondContact OG1-NE2 3.24Å
282D76.1Confident55.2Low21 Ų2161.9 Ų61.911%0.11235%0.347CS..EExtended strand (participates in β ladder)trans-83.6120.7168-178.81.6000109.4R253 I254 L284 Q285 S286 Q366R253-D282 WeakPolarHBondContact CG-OD2 3.36Å; I254-D282 PolarHBondContact N-OD1 3.1Å; I254-D282 CarbonylContact O-C 3.26Å; I254-D282 VanDerWaalsContact O-CA 3.31Å; I254-D282 WeakPolarHBondContact O-CA 3.39Å; D282-L284 PolarHBondContact O-N 3.32Å; D282-L284 WeakPolarHBondContact OD1-CB 3.29Å; D282-L284 PolarHBondContact OD1-N 2.59Å; D282-Q285 VanDerWaalsContact O-CG 3.25Å; D282-Q285 WeakPolarHBondContact O-CG 3.31Å; D282-Q285 PolarHBondContact O-N 3.23Å; D282-Q285 PolarHBondContact OD1-N 3.25Å; D282-Q285 PolarHBondContact OD2-N 3.3Å; D282-S286 WeakPolarHBondContact OD2-CA 3.4Å; D282-S286 WeakPolarHBondContact OD2-CB 3.19Å; D282-S286 PolarHBondContact OD2-N 2.93Å; D282-S286 PolarHBondContact OD2-OG 3.23Å; D282-Q366 PolarHBondContact O-NE2 2.72Å
283L77.2Confident56.4Low1 Ų161 Ų611%0.00534%0.343CS..THydrogen-bonded Turntrans-60.3-31.1176.2-172.773.4000111I243 I254 V256 N292 L295 Q366 L367 A370I243-L283 HydrophobicContact CG2-CD2 4.35Å; I254-L283 HydrophobicContact CB-CB 3.81Å; I254-L283 HydrophobicContact CB-CD2 4.49Å; I254-L283 HydrophobicContact CD1-CD2 4.23Å; I254-L283 HydrophobicContact CG2-CB 3.64Å; I254-L283 HydrophobicContact CG2-CD2 3.85Å; I254-L283 HydrophobicContact CG2-CG 4.41Å; I254-L283 PolarHBondContact O-N 3.41Å; V256-L283 HydrophobicContact CG2-CB 3.88Å; V256-L283 HydrophobicContact CG2-CD1 4.47Å; L283-N292 WeakPolarHBondContact CD1-ND2 3.47Å; L283-N292 WeakPolarHBondContact O-CB 3.1Å; L283-L295 HydrophobicContact CD2-CD2 4.37Å; L283-Q366 HydrophobicContact CD1-CB 4.33Å; L283-Q366 HydrophobicContact CD1-CG 3.8Å; L283-L367 HydrophobicContact CD1-CB 4.36Å; L283-L367 HydrophobicContact CD1-CD1 4.47Å; L283-L367 HydrophobicContact CD2-CD1 4.17Å; L283-A370 HydrophobicContact CD2-CB 4.03Å
284L65.1Low58.2Low4 Ų452.5 Ų52.52%0.02131%0.307CS..THydrogen-bonded Turntrans-88-13.5174.8-59.2179.1000112.4F244 H252 I254 D282 S286 I289 V291 L295F244-L284 HydrophobicContact CE1-CD1 3.87Å; F244-L284 HydrophobicContact CE1-CD2 4.29Å; F244-L284 HydrophobicContact CZ-CD1 4.25Å; F244-L284 HydrophobicContact CZ-CD2 3.81Å; H252-L284 WeakPolarHBondContact O-CD1 3.35Å; I254-L284 HydrophobicContact CB-CG 4.26Å; I254-L284 HydrophobicContact CD1-CD1 3.86Å; I254-L284 HydrophobicContact CD1-CD2 3.94Å; I254-L284 HydrophobicContact CD1-CG 3.74Å; I254-L284 HydrophobicContact CG1-CD1 3.87Å; I254-L284 HydrophobicContact CG1-CG 3.96Å; D282-L284 PolarHBondContact O-N 3.32Å; D282-L284 WeakPolarHBondContact OD1-CB 3.29Å; D282-L284 PolarHBondContact OD1-N 2.59Å; L284-S286 VanDerWaalsContact C-N 3.28Å; L284-S286 PolarHBondContact O-N 2.88Å; L284-I289 HydrophobicContact CB-CG2 4.33Å; L284-I289 HydrophobicContact CD1-CG2 4.41Å; L284-I289 HydrophobicContact CD2-CG2 4.37Å; L284-I289 CarbonylContact O-C 3.54Å; L284-I289 WeakPolarHBondContact O-CA 3.19Å; L284-V291 WeakPolarHBondContact O-CG2 3.41Å; L284-L295 HydrophobicContact CD2-CD1 3.95Å
285Q59.3Low60Low66 Ų6647.5 Ų47.531%0.30828%0.276SS..  trans37.754.5-167.2-25.9165.5-19.800113.2D282 V287 D288 V291D282-Q285 VanDerWaalsContact O-CG 3.25Å; D282-Q285 WeakPolarHBondContact O-CG 3.31Å; D282-Q285 PolarHBondContact O-N 3.23Å; D282-Q285 PolarHBondContact OD1-N 3.25Å; D282-Q285 PolarHBondContact OD2-N 3.3Å; Q285-V287 PolarHBondContact O-N 3.1Å; Q285-D288 CarbonylContact O-C 3.52Å; Q285-D288 PolarHBondContact O-N 2.99Å; Q285-V291 HydrophobicContact CB-CG2 3.52Å; Q285-V291 HydrophobicContact CG-CB 4.26Å; Q285-V291 HydrophobicContact CG-CG2 3.32Å; Q285-V291 VanDerWaalsContact OE1-CB 3.26Å; Q285-V291 VanDerWaalsContact OE1-CG2 3.27Å
286S49.9Very low61.9Low27 Ų2744.1 Ų44.119%0.18926%0.258CS..THydrogen-bonded Turntrans-30.6-18-174.648.50000121.1R253 D282 L284 D288R253-S286 VanDerWaalsContact CG-CB 3.5Å; R253-S286 WeakPolarHBondContact CG-OG 3.48Å; R253-S286 PolarHBondContact NE-OG 2.75Å; D282-S286 WeakPolarHBondContact OD2-CA 3.4Å; D282-S286 WeakPolarHBondContact OD2-CB 3.19Å; D282-S286 PolarHBondContact OD2-N 2.93Å; D282-S286 PolarHBondContact OD2-OG 3.23Å; L284-S286 VanDerWaalsContact C-N 3.28Å; L284-S286 PolarHBondContact O-N 2.88Å; S286-D288 PolarHBondContact O-N 3.26Å
287V47Very low63.8Low124 Ų12443.4 Ų43.475%0.75225%0.247SC*.THydrogen-bonded Turntrans-64.5-25.7164.4-1720000110.5Q285Q285-V287 PolarHBondContact O-N 3.1Å
288D46.5Very low65.6Low44 Ų4436.1 Ų36.124%0.23521%0.213CC..SBendtrans-151.293.9174.5-177.54000109.1Q285 S286 S290 V291Q285-D288 CarbonylContact O-C 3.52Å; Q285-D288 PolarHBondContact O-N 2.99Å; S286-D288 PolarHBondContact O-N 3.26Å; D288-S290 PolarHBondContact O-N 3.45Å; D288-S290 WeakPolarHBondContact OD1-CB 3.34Å; D288-S290 PolarHBondContact OD1-N 3.14Å; D288-S290 PolarHBondContact OD1-OG 2.85Å; D288-S290 PolarHBondContact OD2-OG 3.1Å; D288-V291 HydrophobicContact CB-CG1 4.15Å; D288-V291 WeakPolarHBondContact O-CG1 3.26Å; D288-V291 WeakPolarHBondContact O-CG2 3.44Å
289I44.1Very low66.8Low15 Ų1535.4 Ų35.48%0.07720%0.202CC..THydrogen-bonded Turntrans-60.2-8.6-175.6-62.3163.1000112.8V143 L284 V291 F650V143-I289 HydrophobicContact CB-CB 3.96Å; V143-I289 HydrophobicContact CB-CG2 4.2Å; V143-I289 HydrophobicContact CG1-CB 3.73Å; V143-I289 HydrophobicContact CG1-CD1 3.51Å; V143-I289 HydrophobicContact CG1-CG1 4.14Å; V143-I289 HydrophobicContact CG1-CG2 4.08Å; V143-I289 HydrophobicContact CG2-CB 4.16Å; V143-I289 HydrophobicContact CG2-CG2 3.83Å; L284-I289 HydrophobicContact CB-CG2 4.33Å; L284-I289 HydrophobicContact CD1-CG2 4.41Å; L284-I289 HydrophobicContact CD2-CG2 4.37Å; L284-I289 CarbonylContact O-C 3.54Å; L284-I289 WeakPolarHBondContact O-CA 3.19Å; I289-V291 VanDerWaalsContact C-N 3.33Å; I289-V291 PolarHBondContact O-N 3.26Å; I289-F650 HydrophobicContact CG2-CD2 4.31Å; I289-F650 HydrophobicContact CG2-CE2 4.24Å
290S47.8Very low67.4Low1 Ų134.9 Ų34.91%0.00720%0.198CC..THydrogen-bonded Turntrans-80.94.1-170.779.80000117.1R135 D288R135-S290 VanDerWaalsContact CB-O 3.31Å; R135-S290 WeakPolarHBondContact CB-O 3.44Å; R135-S290 WeakPolarHBondContact CB-OG 3.11Å; R135-S290 PolarHBondContact N-OG 2.65Å; R135-S290 VanDerWaalsContact N-OG 3.08Å; R135-S290 WeakPolarHBondContact O-CB 3.48Å; D288-S290 PolarHBondContact O-N 3.45Å; D288-S290 WeakPolarHBondContact OD1-CB 3.34Å; D288-S290 PolarHBondContact OD1-N 3.14Å; D288-S290 PolarHBondContact OD1-OG 2.85Å; D288-S290 PolarHBondContact OD2-OG 3.1Å
291V48.8Very low67.9Low3 Ų334 Ų342%0.01819%0.189CC..  trans-100.3-14.8-149.8-77.30000118M1 L284 Q285 D288 I289 P293M1-V291 HydrophobicContact CG-CG1 4.39Å; L284-V291 WeakPolarHBondContact O-CG2 3.41Å; Q285-V291 HydrophobicContact CB-CG2 3.52Å; Q285-V291 HydrophobicContact CG-CB 4.26Å; Q285-V291 HydrophobicContact CG-CG2 3.32Å; Q285-V291 VanDerWaalsContact OE1-CB 3.26Å; Q285-V291 VanDerWaalsContact OE1-CG2 3.27Å; D288-V291 HydrophobicContact CB-CG1 4.15Å; D288-V291 WeakPolarHBondContact O-CG1 3.26Å; D288-V291 WeakPolarHBondContact O-CG2 3.44Å; I289-V291 VanDerWaalsContact C-N 3.33Å; I289-V291 PolarHBondContact O-N 3.26Å; V291-P293 WeakPolarHBondContact O-CD 3.48Å
292N61Low68.3Low2 Ų238.7 Ų38.71%0.01121%0.206CC..  trans-95100.2176.4-163.8-30.1000110.9L283 L294 L295L283-N292 WeakPolarHBondContact CD1-ND2 3.47Å; L283-N292 WeakPolarHBondContact O-CB 3.1Å; N292-L294 PolarHBondContact O-N 3.11Å; N292-L294 VanDerWaalsContact OD1-CB 3.31Å; N292-L294 WeakPolarHBondContact OD1-CB 3.22Å; N292-L294 PolarHBondContact OD1-N 3.13Å; N292-L294 VanDerWaalsContact OD1-N 3.12Å; N292-L295 HydrophobicContact CB-CD1 4.14Å; N292-L295 HydrophobicContact CB-CG 4.06Å; N292-L295 PolarHBondContact O-N 3.05Å
293P62.2Low68.9Low76 Ų7639.1 Ų39.149%0.49421%0.207SC..THydrogen-bonded Turntrans-64.2-14.9-174.929.9-37.2000113V291V291-P293 WeakPolarHBondContact O-CD 3.48Å
294L73.7Confident69.5Low14 Ų1444.4 Ų44.47%0.07323%0.231CC..THydrogen-bonded Turntrans-78.3-18.4-178.7-57177.3000112.6N292 D296 D297 Y298 N363 H364 L367N292-L294 PolarHBondContact O-N 3.11Å; N292-L294 VanDerWaalsContact OD1-CB 3.31Å; N292-L294 WeakPolarHBondContact OD1-CB 3.22Å; N292-L294 PolarHBondContact OD1-N 3.13Å; N292-L294 VanDerWaalsContact OD1-N 3.12Å; L294-D296 PolarHBondContact O-N 2.96Å; L294-D297 VanDerWaalsContact O-CB 3.28Å; L294-D297 WeakPolarHBondContact O-CB 3.3Å; L294-D297 PolarHBondContact O-N 3.22Å; L294-Y298 HydrophobicContact CB-CE2 4.16Å; L294-Y298 WeakPolarHBondContact O-CD2 3.44Å; L294-Y298 VanDerWaalsContact O-CE2 3.28Å; L294-Y298 WeakPolarHBondContact O-CE2 3.35Å; L294-N363 HydrophobicContact CD1-CB 3.97Å; L294-H364 HydrophobicContact CD1-CB 4.21Å; L294-H364 VanDerWaalsContact CD2-NE2 3.34Å; L294-H364 WeakPolarHBondContact CD2-NE2 3.5Å; L294-L367 HydrophobicContact CB-CD2 4.18Å
295L78.2Confident70.7Confident4 Ų446.2 Ų46.22%0.02125%0.247CC..SBendtrans-68.3-36-174.6-63.3178.8000112.7F138 L240 L283 L284 N292 D297 Y298 F299 L367F138-L295 HydrophobicContact CE1-CB 3.94Å; F138-L295 HydrophobicContact CZ-CB 4.09Å; L240-L295 HydrophobicContact CD2-CD2 3.77Å; L283-L295 HydrophobicContact CD2-CD2 4.37Å; L284-L295 HydrophobicContact CD2-CD1 3.95Å; N292-L295 HydrophobicContact CB-CD1 4.14Å; N292-L295 HydrophobicContact CB-CG 4.06Å; N292-L295 PolarHBondContact O-N 3.05Å; L295-D297 PolarHBondContact O-N 2.83Å; L295-Y298 PolarHBondContact O-N 3.38Å; L295-Y298 VanDerWaalsContact O-N 3.1Å; L295-F299 PolarHBondContact O-N 3.32Å; L295-F299 VanDerWaalsContact O-N 3.1Å; L295-L367 HydrophobicContact CD2-CD1 4.05Å
296D77.2Confident72.3Confident47 Ų4743 Ų4325%0.25123%0.232SC..Hα-helixtrans-54.3-39173.5-162.756.5000111.7F138 K139 L294 Y298 F299F138-D296 WeakPolarHBondContact CA-OD1 3.45Å; F138-D296 WeakPolarHBondContact CB-OD1 3.38Å; K139-D296 WeakPolarHBondContact CD-OD2 3.49Å; K139-D296 WeakPolarHBondContact CG-OD2 3.5Å; K139-D296 PolarHBondContact N-OD1 2.82Å; L294-D296 PolarHBondContact O-N 2.96Å; D296-Y298 PolarHBondContact O-N 2.95Å; D296-F299 PolarHBondContact O-N 3.23Å
297D82.7Confident74.4Confident77 Ų7742 Ų4241%0.41222%0.224SC..Hα-helixtrans-66.4-20.4-178.6-97-36.5000114.6L294 L295 L301 K309L294-D297 VanDerWaalsContact O-CB 3.28Å; L294-D297 WeakPolarHBondContact O-CB 3.3Å; L294-D297 PolarHBondContact O-N 3.22Å; L295-D297 PolarHBondContact O-N 2.83Å; D297-L301 VanDerWaalsContact O-CD1 3.26Å; D297-L301 WeakPolarHBondContact O-CD1 3.36Å; D297-K309 PolarHBondContact O-NZ 3.18Å; D297-K309 IonicContact OD1-NZ 2.72Å; D297-K309 PolarHBondContact OD1-NZ 2.82Å; D297-K309 IonicContact OD2-NZ 2.71Å
298Y87.1Confident76.5Confident5 Ų538.1 Ų38.12%0.0220%0.203CC..Hα-helixtrans-112.6-5.9179.7-56.1-80.3000113.3L294 L295 D296 M300 L301 K309 I310 N313 L367L294-Y298 HydrophobicContact CB-CE2 4.16Å; L294-Y298 WeakPolarHBondContact O-CD2 3.44Å; L294-Y298 VanDerWaalsContact O-CE2 3.28Å; L294-Y298 WeakPolarHBondContact O-CE2 3.35Å; L295-Y298 PolarHBondContact O-N 3.38Å; L295-Y298 VanDerWaalsContact O-N 3.1Å; D296-Y298 PolarHBondContact O-N 2.95Å; Y298-M300 PolarHBondContact O-N 3.39Å; Y298-L301 HydrophobicContact CD1-CD1 4.13Å; Y298-L301 PolarHBondContact O-N 3.25Å; Y298-L301 VanDerWaalsContact O-N 3.08Å; Y298-K309 HydrophobicContact CD1-CD 4.3Å; Y298-K309 HydrophobicContact CE1-CB 3.92Å; Y298-K309 HydrophobicContact CE1-CD 3.91Å; Y298-K309 HydrophobicContact CE1-CG 3.79Å; Y298-I310 HydrophobicContact CD1-CG1 4.49Å; Y298-I310 HydrophobicContact CE1-CD1 4.34Å; Y298-I310 HydrophobicContact CE1-CG1 3.59Å; Y298-N313 PolarHBondContact OH-ND2 3.28Å; Y298-L367 HydrophobicContact CD2-CD2 3.67Å; Y298-L367 HydrophobicContact CE2-CD2 3.16Å
299F85.2Confident78.8Confident12 Ų1238.9 Ų38.95%0.05320%0.204CC..Hα-helixtrans-57.8-44.6-170.4-175.6-113.9000113.8F138 L141 L240 L295 D296 I616 C619 R620 F623F138-F299 HydrophobicContact CD1-CB 3.55Å; F138-F299 HydrophobicContact CD1-CD1 4.22Å; F138-F299 AromaticContact CD1-CD2 3.41Å; F138-F299 HydrophobicContact CD1-CD2 3.41Å; F138-F299 VanDerWaalsContact CD1-CD2 3.41Å; F138-F299 HydrophobicContact CD1-CE2 4.15Å; F138-F299 AromaticContact CD1-CG 3.44Å; F138-F299 HydrophobicContact CD1-CG 3.44Å; F138-F299 VanDerWaalsContact CD1-CG 3.44Å; F138-F299 HydrophobicContact CE1-CB 3.6Å; F138-F299 AromaticContact CE1-CD2 3.14Å; F138-F299 HydrophobicContact CE1-CD2 3.14Å; F138-F299 AromaticContact CE1-CE2 3.99Å; F138-F299 HydrophobicContact CE1-CE2 3.99Å; F138-F299 AromaticContact CE1-CG 3.57Å; F138-F299 HydrophobicContact CE1-CG 3.57Å; F138-F299 HydrophobicContact CG-CD2 4.26Å; F138-F299 HydrophobicContact CG-CG 4.41Å; F138-F299 AromaticContact CZ-CD2 3.75Å; F138-F299 HydrophobicContact CZ-CD2 3.75Å; F138-F299 HydrophobicContact CZ-CE2 4.24Å; L141-F299 HydrophobicContact CD1-CE2 3.85Å; L141-F299 HydrophobicContact CD1-CZ 3.79Å; L240-F299 HydrophobicContact CD1-CD2 4.41Å; L295-F299 PolarHBondContact O-N 3.32Å; L295-F299 VanDerWaalsContact O-N 3.1Å; D296-F299 PolarHBondContact O-N 3.23Å; F299-I616 HydrophobicContact CD2-CD1 4.36Å; F299-I616 HydrophobicContact CE2-CD1 3.79Å; F299-I616 HydrophobicContact CE2-CG1 4.3Å; F299-C619 HydrophobicContact CE2-CB 4.21Å; F299-C619 HydrophobicContact CZ-CB 3.8Å; F299-R620 HydrophobicContact CE1-CB 4.45Å; F299-R620 HydrophobicContact CE2-CB 4.44Å; F299-R620 HydrophobicContact CZ-CB 4.07Å; F299-R620 WeakPolarHBondContact O-CD 3.3Å; F299-F623 HydrophobicContact CE1-CB 4.29Å; F299-F623 AromaticContact CE1-CD2 3.44Å; F299-F623 HydrophobicContact CE1-CD2 3.44Å; F299-F623 VanDerWaalsContact CE1-CD2 3.44Å; F299-F623 HydrophobicContact CE1-CE2 4.06Å; F299-F623 HydrophobicContact CE1-CG 4.06Å; F299-F623 AromaticContact CZ-CD2 3.83Å; F299-F623 HydrophobicContact CZ-CD2 3.83Å; F299-F623 HydrophobicContact CZ-CE2 4.26Å
300M86.3Confident81.2Confident75 Ų7538.2 Ų38.237%0.36920%0.201SC..THydrogen-bonded Turntrans-94.3-1.4179-59.4-59.9-66.200113.2Y298 R620 F623 E624Y298-M300 PolarHBondContact O-N 3.39Å; M300-R620 HydrophobicContact CE-CG 4.42Å; M300-R620 HydrophobicContact SD-CG 3.95Å; M300-F623 HydrophobicContact CE-CB 4.31Å; M300-F623 HydrophobicContact SD-CB 3.96Å; M300-E624 HydrophobicContact CE-CB 4.43Å; M300-E624 HydrophobicContact CE-CG 3.48Å; M300-E624 VanDerWaalsContact CE-CG 3.48Å
301L89Confident83.3Confident49 Ų4939.2 Ų39.226%0.25721%0.205SC..  trans-83.1134.4-176.2-65.4-174.9000110.9H238 D297 Y298 A305 S306 K309H238-L301 PolarHBondContact ND1-O 3.05Å; D297-L301 VanDerWaalsContact O-CD1 3.26Å; D297-L301 WeakPolarHBondContact O-CD1 3.36Å; Y298-L301 HydrophobicContact CD1-CD1 4.13Å; Y298-L301 PolarHBondContact O-N 3.25Å; Y298-L301 VanDerWaalsContact O-N 3.08Å; L301-A305 HydrophobicContact CB-CB 4.41Å; L301-A305 HydrophobicContact CD2-CB 4.33Å; L301-S306 WeakPolarHBondContact CB-OG 3.49Å; L301-S306 PolarHBondContact O-OG 3.36Å; L301-K309 HydrophobicContact CD1-CB 4.31Å; L301-K309 HydrophobicContact CD1-CD 3.53Å
302K89.3Confident85.4Confident146 Ų14644 Ų4464%0.63523%0.227SC*.  trans-69.1152.8167.3-66.1-174.6177.4-177.60109.7H304 A305 S306K302-H304 VanDerWaalsContact C-N 3.33Å; K302-H304 PolarHBondContact O-N 3.35Å; K302-H304 VanDerWaalsContact O-N 3.12Å; K302-A305 WeakPolarHBondContact O-CA 3.09Å; K302-A305 WeakPolarHBondContact O-CB 3.26Å; K302-A305 PolarHBondContact O-N 2.95Å; K302-S306 PolarHBondContact O-N 3.38Å; K302-S306 PolarHBondContact O-OG 3.47Å
303E89.9Confident87Confident29 Ų2945.1 Ų45.114%0.13623%0.233CC..Hα-helixtrans-45.6-51.2-172-174.8178.7173.500113.7N237 A305 S306 L307 K335N237-E303 WeakPolarHBondContact O-CB 3.13Å; N237-E303 PolarHBondContact O-N 3.31Å; E303-A305 PolarHBondContact O-N 3.09Å; E303-S306 WeakPolarHBondContact O-CB 3.26Å; E303-S306 PolarHBondContact O-N 2.91Å; E303-L307 HydrophobicContact CG-CD1 4.08Å; E303-L307 WeakPolarHBondContact O-CG 3.39Å; E303-L307 PolarHBondContact O-N 2.99Å; E303-K335 WeakPolarHBondContact OE1-CE 3.17Å; E303-K335 IonicContact OE1-NZ 2.95Å
304H88.9Confident88.5Confident112 Ų11241.6 Ų41.652%0.51921%0.21SC..Hα-helixtrans-62.7-40.6-179.7-172.7-73.5000113.2K302 S306 L307 S308K302-H304 VanDerWaalsContact C-N 3.33Å; K302-H304 PolarHBondContact O-N 3.35Å; K302-H304 VanDerWaalsContact O-N 3.12Å; H304-S306 VanDerWaalsContact C-N 3.34Å; H304-L307 PolarHBondContact O-N 3.39Å; H304-S308 WeakPolarHBondContact O-CB 3.22Å; H304-S308 PolarHBondContact O-N 2.94Å; H304-S308 PolarHBondContact O-OG 2.91Å
305A91.3Very high89.5Confident42 Ų4242.4 Ų42.435%0.34721%0.214SC..Hα-helixtrans-67.4-39177.100000110.8L301 K302 E303 S308 K309L301-A305 HydrophobicContact CB-CB 4.41Å; L301-A305 HydrophobicContact CD2-CB 4.33Å; K302-A305 WeakPolarHBondContact O-CA 3.09Å; K302-A305 WeakPolarHBondContact O-CB 3.26Å; K302-A305 PolarHBondContact O-N 2.95Å; E303-A305 PolarHBondContact O-N 3.09Å; A305-S308 PolarHBondContact O-N 2.68Å; A305-K309 WeakPolarHBondContact O-CB 3.16Å; A305-K309 PolarHBondContact O-N 3.36Å
306S93.1Very high90.2Very high0 Ų045.1 Ų45.10%023%0.229CC..Hα-helixtrans-61.8-46.1174.8-53.80000111.9L301 K302 E303 H304 K309 I310L301-S306 WeakPolarHBondContact CB-OG 3.49Å; L301-S306 PolarHBondContact O-OG 3.36Å; K302-S306 PolarHBondContact O-N 3.38Å; K302-S306 PolarHBondContact O-OG 3.47Å; E303-S306 WeakPolarHBondContact O-CB 3.26Å; E303-S306 PolarHBondContact O-N 2.91Å; H304-S306 VanDerWaalsContact C-N 3.34Å; S306-K309 PolarHBondContact O-N 3.27Å; S306-I310 WeakPolarHBondContact O-CG1 3.19Å; S306-I310 PolarHBondContact O-N 2.91Å
307L93.7Very high91Very high5 Ų543 Ų433%0.02622%0.218CC..Hα-helixtrans-63.1-43.3178.2-69.5170.1000112L239 E303 H304 K309 I310 Q311 W338 V371 F375L239-L307 HydrophobicContact CD1-CD2 4.48Å; L239-L307 HydrophobicContact CD2-CD2 4.48Å; E303-L307 HydrophobicContact CG-CD1 4.08Å; E303-L307 WeakPolarHBondContact O-CG 3.39Å; E303-L307 PolarHBondContact O-N 2.99Å; H304-L307 PolarHBondContact O-N 3.39Å; L307-K309 VanDerWaalsContact C-N 3.32Å; L307-K309 PolarHBondContact O-N 3.41Å; L307-I310 PolarHBondContact O-N 3.5Å; L307-Q311 PolarHBondContact O-N 3.36Å; L307-W338 HydrophobicContact CB-CD2 4.2Å; L307-W338 HydrophobicContact CB-CE3 4.21Å; L307-W338 HydrophobicContact CB-CH2 3.96Å; L307-W338 HydrophobicContact CB-CZ2 3.92Å; L307-W338 HydrophobicContact CB-CZ3 4.1Å; L307-W338 HydrophobicContact CD1-CD2 4.05Å; L307-W338 HydrophobicContact CD1-CG 4.05Å; L307-W338 HydrophobicContact CD2-CD2 4.37Å; L307-W338 HydrophobicContact CD2-CE3 4.42Å; L307-W338 HydrophobicContact CG-CD2 4.44Å; L307-V371 HydrophobicContact CD2-CG1 3.98Å; L307-F375 HydrophobicContact CD1-CE2 4.31Å; L307-F375 HydrophobicContact CD1-CZ 4.13Å; L307-F375 HydrophobicContact CD2-CE2 3.75Å; L307-F375 HydrophobicContact CD2-CZ 3.84Å
308S91.7Very high91.5Very high43 Ų4339.5 Ų39.530%0.30120%0.199SC..Hα-helixtrans-61.9-41.5175.7-53.80000111.3H304 A305 Q311 Q312H304-S308 WeakPolarHBondContact O-CB 3.22Å; H304-S308 PolarHBondContact O-N 2.94Å; H304-S308 PolarHBondContact O-OG 2.91Å; A305-S308 PolarHBondContact O-N 2.68Å; S308-Q311 PolarHBondContact O-N 2.9Å; S308-Q312 PolarHBondContact O-N 3.23Å
309K93.3Very high91.8Very high59 Ų5946.2 Ų46.226%0.25723%0.231SC..Hα-helixtrans-66.8-39.4176.5-177.4172-178.7175.40112.5D297 Y298 L301 A305 S306 L307 Q311 Q312 N313D297-K309 PolarHBondContact O-NZ 3.18Å; D297-K309 IonicContact OD1-NZ 2.72Å; D297-K309 PolarHBondContact OD1-NZ 2.82Å; D297-K309 IonicContact OD2-NZ 2.71Å; Y298-K309 HydrophobicContact CD1-CD 4.3Å; Y298-K309 HydrophobicContact CE1-CB 3.92Å; Y298-K309 HydrophobicContact CE1-CD 3.91Å; Y298-K309 HydrophobicContact CE1-CG 3.79Å; L301-K309 HydrophobicContact CD1-CB 4.31Å; L301-K309 HydrophobicContact CD1-CD 3.53Å; A305-K309 WeakPolarHBondContact O-CB 3.16Å; A305-K309 PolarHBondContact O-N 3.36Å; S306-K309 PolarHBondContact O-N 3.27Å; L307-K309 VanDerWaalsContact C-N 3.32Å; L307-K309 PolarHBondContact O-N 3.41Å; K309-Q311 VanDerWaalsContact C-N 3.35Å; K309-Q312 PolarHBondContact O-N 3.31Å; K309-N313 WeakPolarHBondContact O-CB 2.96Å; K309-N313 PolarHBondContact O-N 3.34Å; K309-N313 PolarHBondContact O-ND2 2.9Å
310I94.1Very high92.2Very high2 Ų251.3 Ų51.31%0.0126%0.258CS..Hα-helixtrans-59.4-48.8173.6-72.3166.3000110.1L239 Y298 S306 L307 Q312 N313 L314 L342 T368 V371L239-I310 HydrophobicContact CD2-CD1 3.52Å; Y298-I310 HydrophobicContact CD1-CG1 4.49Å; Y298-I310 HydrophobicContact CE1-CD1 4.34Å; Y298-I310 HydrophobicContact CE1-CG1 3.59Å; S306-I310 WeakPolarHBondContact O-CG1 3.19Å; S306-I310 PolarHBondContact O-N 2.91Å; L307-I310 PolarHBondContact O-N 3.5Å; I310-Q312 PolarHBondContact O-N 2.99Å; I310-N313 PolarHBondContact O-N 3.11Å; I310-L314 HydrophobicContact CG2-CD1 4.29Å; I310-L314 WeakPolarHBondContact O-CG 3.44Å; I310-L314 PolarHBondContact O-N 3.1Å; I310-L342 HydrophobicContact CG2-CD2 3.88Å; I310-T368 HydrophobicContact CG2-CG2 4.26Å; I310-V371 HydrophobicContact CD1-CG2 3.76Å
311Q93.3Very high92.5Very high22 Ų2248.8 Ų48.810%0.10325%0.246CC..Hα-helixtrans-58.8-47.1178.1-174.4-171.7-10.100111.4L307 S308 K309 N313 L314 L315 W338L307-Q311 PolarHBondContact O-N 3.36Å; S308-Q311 PolarHBondContact O-N 2.9Å; K309-Q311 VanDerWaalsContact C-N 3.35Å; Q311-N313 VanDerWaalsContact C-N 3.29Å; Q311-N313 PolarHBondContact O-N 2.85Å; Q311-L314 PolarHBondContact O-N 2.88Å; Q311-L314 VanDerWaalsContact O-N 3.17Å; Q311-L315 WeakPolarHBondContact O-CG 3.02Å; Q311-L315 PolarHBondContact O-N 3.15Å; Q311-W338 HydrophobicContact CB-CZ3 4.34Å
312Q92.5Very high92.6Very high102 Ų10255.1 Ų55.148%0.47727%0.274SS..Hα-helixtrans-58.9-41.1176.7-173.661.944.400112S308 K309 I310 L314 L315 N316S308-Q312 PolarHBondContact O-N 3.23Å; K309-Q312 PolarHBondContact O-N 3.31Å; I310-Q312 PolarHBondContact O-N 2.99Å; Q312-L314 VanDerWaalsContact C-N 3.34Å; Q312-L314 PolarHBondContact O-N 2.86Å; Q312-L315 PolarHBondContact O-N 3.03Å; Q312-N316 PolarHBondContact NE2-OD1 2.62Å; Q312-N316 PolarHBondContact O-N 3.38Å; Q312-N316 PolarHBondContact O-OD1 2.82Å
313N93.8Very high92.6Very high27 Ų2752.3 Ų52.314%0.14426%0.26CS..Hα-helixtrans-64.7-37.7177.7-73.3-20.9000112.2Y298 K309 I310 Q311 N316 I317Y298-N313 PolarHBondContact OH-ND2 3.28Å; K309-N313 WeakPolarHBondContact O-CB 2.96Å; K309-N313 PolarHBondContact O-N 3.34Å; K309-N313 PolarHBondContact O-ND2 2.9Å; I310-N313 PolarHBondContact O-N 3.11Å; Q311-N313 VanDerWaalsContact C-N 3.29Å; Q311-N313 PolarHBondContact O-N 2.85Å; N313-N316 PolarHBondContact O-N 3.21Å; N313-I317 WeakPolarHBondContact O-CB 3.27Å; N313-I317 WeakPolarHBondContact O-CD1 3.2Å; N313-I317 WeakPolarHBondContact O-CG1 3.22Å; N313-I317 PolarHBondContact O-N 3.38Å
314L94.9Very high92.5Very high1 Ų159.5 Ų59.51%0.00529%0.293CS..Hα-helixtrans-65.7-38.7174.1-64.8174.7000111.8I310 Q311 Q312 I317 A318 L342 Q345 I346 L349 I365 T368I310-L314 HydrophobicContact CG2-CD1 4.29Å; I310-L314 WeakPolarHBondContact O-CG 3.44Å; I310-L314 PolarHBondContact O-N 3.1Å; Q311-L314 PolarHBondContact O-N 2.88Å; Q311-L314 VanDerWaalsContact O-N 3.17Å; Q312-L314 VanDerWaalsContact C-N 3.34Å; Q312-L314 PolarHBondContact O-N 2.86Å; L314-I317 PolarHBondContact O-N 3.43Å; L314-A318 PolarHBondContact O-N 3.22Å; L314-L342 HydrophobicContact CD1-CD2 3.81Å; L314-Q345 HydrophobicContact CD1-CB 4.19Å; L314-I346 HydrophobicContact CD1-CG2 4.45Å; L314-I346 HydrophobicContact CD2-CG2 4.26Å; L314-L349 HydrophobicContact CB-CD1 4.13Å; L314-L349 HydrophobicContact CD2-CD1 4.02Å; L314-I365 HydrophobicContact CD2-CD1 4.18Å; L314-T368 HydrophobicContact CD1-CG2 4.06Å
315L93.6Very high92.5Very high31 Ų3155.1 Ų55.116%0.16227%0.274CS..Hα-helixtrans-63.9-46174.2-66.2174.1000111.6Q311 Q312 I317 A318 E319 L325Q311-L315 WeakPolarHBondContact O-CG 3.02Å; Q311-L315 PolarHBondContact O-N 3.15Å; Q312-L315 PolarHBondContact O-N 3.03Å; L315-I317 VanDerWaalsContact C-N 3.28Å; L315-I317 PolarHBondContact O-N 3.23Å; L315-A318 VanDerWaalsContact O-CB 3.32Å; L315-A318 WeakPolarHBondContact O-CB 3.3Å; L315-A318 PolarHBondContact O-N 3.14Å; L315-A318 VanDerWaalsContact O-N 3.11Å; L315-E319 PolarHBondContact O-N 3.21Å; L315-L325 HydrophobicContact CD2-CB 3.93Å
316N93.1Very high92Very high61 Ų6157.1 Ų57.133%0.32628%0.283SS..Hα-helixtrans-60.9-38.3176.3-63.9-10.5000111.8Q312 N313 E319 L320Q312-N316 PolarHBondContact NE2-OD1 2.62Å; Q312-N316 PolarHBondContact O-N 3.38Å; Q312-N316 PolarHBondContact O-OD1 2.82Å; N313-N316 PolarHBondContact O-N 3.21Å; N316-E319 PolarHBondContact O-N 2.72Å; N316-L320 WeakPolarHBondContact O-CB 3.45Å; N316-L320 VanDerWaalsContact O-CG 3.27Å; N316-L320 WeakPolarHBondContact O-CG 3.1Å; N316-L320 PolarHBondContact O-N 3.2Å
317I93.9Very high91.2Very high4 Ų465.4 Ų65.42%0.02132%0.322CS..Hα-helixtrans-63.2-44.2174.5-74.8165000111N313 L314 L315 E319 L320 I321 L349 I353 L361 H364N313-I317 WeakPolarHBondContact O-CB 3.27Å; N313-I317 WeakPolarHBondContact O-CD1 3.2Å; N313-I317 WeakPolarHBondContact O-CG1 3.22Å; N313-I317 PolarHBondContact O-N 3.38Å; L314-I317 PolarHBondContact O-N 3.43Å; L315-I317 VanDerWaalsContact C-N 3.28Å; L315-I317 PolarHBondContact O-N 3.23Å; I317-E319 VanDerWaalsContact C-N 3.31Å; I317-E319 PolarHBondContact O-N 3.29Å; I317-L320 PolarHBondContact O-N 3.28Å; I317-I321 HydrophobicContact CG2-CD1 4.22Å; I317-I321 WeakPolarHBondContact O-CG1 3.33Å; I317-I321 PolarHBondContact O-N 2.95Å; I317-I321 VanDerWaalsContact O-N 3.1Å; I317-L349 HydrophobicContact CG2-CD1 4.21Å; I317-I353 HydrophobicContact CG2-CD1 3.77Å; I317-I353 HydrophobicContact CG2-CG1 4.05Å; I317-L361 HydrophobicContact CG1-CD2 4.25Å; I317-L361 HydrophobicContact CG2-CD1 4.17Å; I317-H364 HydrophobicContact CD1-CB 3.38Å
318A94.1Very high90.4Very high2 Ų268.2 Ų68.22%0.01734%0.337CS..Hα-helixtrans-57.8-46.8177.600000110.5L314 L315 L320 I321 H322 Y323 L325 L349L314-A318 PolarHBondContact O-N 3.22Å; L315-A318 VanDerWaalsContact O-CB 3.32Å; L315-A318 WeakPolarHBondContact O-CB 3.3Å; L315-A318 PolarHBondContact O-N 3.14Å; L315-A318 VanDerWaalsContact O-N 3.11Å; A318-L320 PolarHBondContact O-N 3.21Å; A318-I321 CarbonylContact O-C 3.51Å; A318-I321 PolarHBondContact O-N 3.34Å; A318-H322 PolarHBondContact O-N 3.36Å; A318-H322 VanDerWaalsContact O-N 3.07Å; A318-Y323 CarbonylContact C-O 3.57Å; A318-Y323 VanDerWaalsContact C-O 3.26Å; A318-Y323 VanDerWaalsContact CB-O 3.24Å; A318-Y323 WeakPolarHBondContact CB-O 3.48Å; A318-Y323 PolarHBondContact O-N 3.14Å; A318-Y323 VanDerWaalsContact O-O 3.11Å; A318-L325 HydrophobicContact CB-CB 4.22Å; A318-L325 HydrophobicContact CB-CD1 3.93Å; A318-L325 HydrophobicContact CB-CG 3.85Å; A318-L349 HydrophobicContact CB-CD2 3.73Å
319E93.6Very high89.7Confident146 Ų14672.2 Ų72.268%0.68236%0.364SS*.Hα-helixtrans-58.9-47.2175.5-172.1-178.8-179.200112.4L315 N316 I317 I321 H322L315-E319 PolarHBondContact O-N 3.21Å; N316-E319 PolarHBondContact O-N 2.72Å; I317-E319 VanDerWaalsContact C-N 3.31Å; I317-E319 PolarHBondContact O-N 3.29Å; E319-I321 VanDerWaalsContact C-N 3.28Å; E319-I321 PolarHBondContact O-N 3.38Å; E319-H322 PolarHBondContact O-N 3.1Å; E319-H322 VanDerWaalsContact O-N 3.09Å; E319-H322 PolarHBondContact O-ND1 2.92Å
320L93.1Very high89.3Confident119 Ų11975.4 Ų75.462%0.62338%0.38SS*.Hα-helixtrans-61.4-32.1-179.6-76.1169.7000113.8N316 I317 A318N316-L320 WeakPolarHBondContact O-CB 3.45Å; N316-L320 VanDerWaalsContact O-CG 3.27Å; N316-L320 WeakPolarHBondContact O-CG 3.1Å; N316-L320 PolarHBondContact O-N 3.2Å; I317-L320 PolarHBondContact O-N 3.28Å; A318-L320 PolarHBondContact O-N 3.21Å
321I92.8Very high88.8Confident22 Ų2278.2 Ų78.211%0.11340%0.399CS..THydrogen-bonded Turntrans-100.610.5178.672.3-170.9000112.7I317 A318 E319 Y323 L349 P352 I353 L361I317-I321 HydrophobicContact CG2-CD1 4.22Å; I317-I321 WeakPolarHBondContact O-CG1 3.33Å; I317-I321 PolarHBondContact O-N 2.95Å; I317-I321 VanDerWaalsContact O-N 3.1Å; A318-I321 CarbonylContact O-C 3.51Å; A318-I321 PolarHBondContact O-N 3.34Å; E319-I321 VanDerWaalsContact C-N 3.28Å; E319-I321 PolarHBondContact O-N 3.38Å; I321-Y323 VanDerWaalsContact C-N 3.35Å; I321-Y323 PolarHBondContact O-N 2.9Å; I321-L349 HydrophobicContact CD1-CD2 3.93Å; I321-P352 HydrophobicContact CD1-CB 3.67Å; I321-P352 HydrophobicContact CG1-CB 4.35Å; I321-I353 HydrophobicContact CD1-CG1 3.62Å; I321-L361 HydrophobicContact CG2-CD1 3.83Å
322H89.8Confident88.7Confident183 Ų18378.3 Ų78.385%0.84740%0.401SS*.THydrogen-bonded Turntrans55.545.1-179.3-51.2-53.9000113.5A318 E319A318-H322 PolarHBondContact O-N 3.36Å; A318-H322 VanDerWaalsContact O-N 3.07Å; E319-H322 PolarHBondContact O-N 3.1Å; E319-H322 VanDerWaalsContact O-N 3.09Å; E319-H322 PolarHBondContact O-ND1 2.92Å
323Y90.7Very high88.4Confident86 Ų8683.6 Ų83.634%0.33742%0.417SS..  trans-115.2138.7174.9-163.9-90.8000110.3A318 I321 L325 E348 L349 P352A318-Y323 CarbonylContact C-O 3.57Å; A318-Y323 VanDerWaalsContact C-O 3.26Å; A318-Y323 VanDerWaalsContact CB-O 3.24Å; A318-Y323 WeakPolarHBondContact CB-O 3.48Å; A318-Y323 PolarHBondContact O-N 3.14Å; A318-Y323 VanDerWaalsContact O-O 3.11Å; I321-Y323 VanDerWaalsContact C-N 3.35Å; I321-Y323 PolarHBondContact O-N 2.9Å; Y323-L325 HydrophobicContact CD1-CD2 4.35Å; Y323-L325 HydrophobicContact CD1-CG 4.4Å; Y323-L325 HydrophobicContact CE1-CD2 4.17Å; Y323-E348 HydrophobicContact CE1-CB 3.84Å; Y323-L349 HydrophobicContact CD1-CD2 4.03Å; Y323-L349 HydrophobicContact CG-CD2 4.46Å; Y323-P352 HydrophobicContact CD2-CB 4.19Å; Y323-P352 HydrophobicContact CD2-CG 3.64Å; Y323-P352 HydrophobicContact CE2-CG 3.8Å; Y323-P352 HydrophobicContact CG-CG 4.31Å
324E88.4Confident88.1Confident181 Ų18185.5 Ų85.585%0.84643%0.429SS*.  trans-90.2122.1176.8-69.8-176.8177.400110.2
325L88.5Confident87.9Confident20 Ų2087.8 Ų87.811%0.10544%0.439CS..  trans-109.1143.5165.1-78.8-176.2000109.6L315 A318 Y323 E327 Q345 E348 L349L315-L325 HydrophobicContact CD2-CB 3.93Å; A318-L325 HydrophobicContact CB-CB 4.22Å; A318-L325 HydrophobicContact CB-CD1 3.93Å; A318-L325 HydrophobicContact CB-CG 3.85Å; Y323-L325 HydrophobicContact CD1-CD2 4.35Å; Y323-L325 HydrophobicContact CD1-CG 4.4Å; Y323-L325 HydrophobicContact CE1-CD2 4.17Å; L325-E327 PolarHBondContact O-N 3.07Å; L325-Q345 HydrophobicContact CD1-CB 4.17Å; L325-Q345 HydrophobicContact CD1-CG 4.21Å; L325-Q345 HydrophobicContact CD2-CB 4.48Å; L325-Q345 HydrophobicContact CD2-CG 4.38Å; L325-E348 HydrophobicContact CD2-CB 4.15Å; L325-E348 VanDerWaalsContact CD2-OE2 3.31Å; L325-E348 WeakPolarHBondContact CD2-OE2 3.33Å; L325-L349 HydrophobicContact CD1-CD1 3.66Å; L325-L349 HydrophobicContact CD1-CD2 3.96Å; L325-L349 HydrophobicContact CD1-CG 3.86Å; L325-L349 HydrophobicContact CD2-CG 4.47Å; L325-L349 HydrophobicContact CG-CD2 4.13Å; L325-L349 HydrophobicContact CG-CG 4.37Å
326P80.6Confident87.7Confident83 Ų8388 Ų8854%0.53945%0.445SS..PPolyproline II helixtrans-65.2128.6175.726.8-33.1000110.7
327E76.5Confident87.6Confident175 Ų17591.5 Ų91.582%0.81846%0.458SS*.PPolyproline II helixtrans-68.6140.2165.2-73.9-172.417500109.9L325L325-E327 PolarHBondContact O-N 3.07Å
328L76.9Confident87.6Confident64 Ų6491.7 Ų91.734%0.33546%0.458SS..PPolyproline II helixtrans-91.1131.4175.3-63.4175.6000110.2E330 L341L328-E330 VanDerWaalsContact C-N 3.35Å; L328-L341 HydrophobicContact CD1-CD1 3.54Å; L328-L341 HydrophobicContact CD1-CD2 3.22Å; L328-L341 HydrophobicContact CD1-CG 3.96Å; L328-L341 HydrophobicContact CD2-CD1 3.86Å; L328-L341 HydrophobicContact CG-CD1 4.12Å
329S77Confident87.5Confident127 Ų12791.6 Ų91.689%0.88846%0.457SS*.SBendtrans-69-32.9173600000112.8
330E84.2Confident87.4Confident126 Ų12689.1 Ų89.159%0.58945%0.449SS*.SBendtrans-139.6141.9178.2-70.2-170.4-175.100111.6L328L328-E330 VanDerWaalsContact C-N 3.35Å
331P84.4Confident87.5Confident61 Ų6184.9 Ų84.940%0.39643%0.427SS..  trans-67.6140.3174.427.5-33.2000111.2W338P331-W338 HydrophobicContact CB-CH2 4.39Å; P331-W338 HydrophobicContact CB-CZ2 3.95Å
332P89.9Confident87.5Confident23 Ų2383.8 Ų83.815%0.14942%0.421CS..  trans-56.9144.4174.4-2430.9000113.3K337 W338 L341P332-K337 HydrophobicContact CB-CB 3.86Å; P332-W338 HydrophobicContact CB-CD2 3.99Å; P332-W338 HydrophobicContact CB-CG 3.9Å; P332-W338 HydrophobicContact CG-CD2 3.89Å; P332-W338 HydrophobicContact CG-CE3 4.15Å; P332-W338 HydrophobicContact CG-CG 4.24Å; P332-W338 HydrophobicContact CG-CZ2 4.41Å; P332-W338 PolarHBondContact O-NE1 3.06Å; P332-L341 HydrophobicContact CG-CD2 3.76Å
333R86.8Confident87.7Confident214 Ų21477.4 Ų77.481%0.80839%0.39SS*.SBendtrans-93.1-10.8-178.8-61.2-171.7-173.5-175.32.7114.9
334T87.6Confident87.8Confident66 Ų6676.1 Ų76.141%0.40539%0.393SS..SBendtrans-132.2148.3-175.767.20000111.3A336 K337 W338T334-A336 VanDerWaalsContact C-N 3.26Å; T334-A336 PolarHBondContact O-N 3.27Å; T334-K337 PolarHBondContact O-N 2.7Å; T334-K337 VanDerWaalsContact O-N 3.13Å; T334-K337 WeakPolarHBondContact OG1-CG 3.19Å; T334-K337 PolarHBondContact OG1-N 3.18Å; T334-W338 PolarHBondContact O-N 3.33Å
335K89.9Confident88Confident49 Ų4967.7 Ų67.721%0.21335%0.354CS..Hα-helixtrans-55.4-39.9177.4-65.5-174.3-178.4-167.70112.4S236 E303 W338 A339 F375 I378S236-K335 PolarHBondContact OG-NZ 3.46Å; E303-K335 WeakPolarHBondContact OE1-CE 3.17Å; E303-K335 IonicContact OE1-NZ 2.95Å; K335-W338 WeakPolarHBondContact O-CB 3.37Å; K335-W338 PolarHBondContact O-N 3.22Å; K335-A339 WeakPolarHBondContact O-CB 3.4Å; K335-A339 PolarHBondContact O-N 3.41Å; K335-F375 HydrophobicContact CB-CB 4.29Å; K335-F375 HydrophobicContact CB-CD1 4.15Å; K335-F375 HydrophobicContact CB-CD2 3.94Å; K335-F375 HydrophobicContact CB-CE1 4.43Å; K335-F375 HydrophobicContact CB-CE2 4.23Å; K335-F375 HydrophobicContact CB-CG 3.88Å; K335-F375 HydrophobicContact CB-CZ 4.46Å; K335-F375 HydrophobicContact CD-CD1 3.95Å; K335-F375 HydrophobicContact CD-CE1 3.9Å; K335-F375 HydrophobicContact CD-CZ 4.44Å; K335-F375 HydrophobicContact CG-CD1 4.2Å; K335-F375 HydrophobicContact CG-CD2 4.48Å; K335-F375 HydrophobicContact CG-CE1 4.06Å; K335-F375 HydrophobicContact CG-CE2 4.34Å; K335-F375 HydrophobicContact CG-CG 4.4Å; K335-F375 HydrophobicContact CG-CZ 4.12Å; K335-F375 VanDerWaalsContact O-CD2 3.27Å; K335-F375 WeakPolarHBondContact O-CD2 3.26Å; K335-I378 HydrophobicContact CD-CD1 4.14Å
336A89.2Confident88.3Confident36 Ų3666.8 Ų66.830%0.29835%0.349SS..Hα-helixtrans-61.6-45.8176.400000112.6T334 W338 A339 D340T334-A336 VanDerWaalsContact C-N 3.26Å; T334-A336 PolarHBondContact O-N 3.27Å; A336-W338 PolarHBondContact O-N 2.86Å; A336-A339 WeakPolarHBondContact O-CB 3.38Å; A336-A339 PolarHBondContact O-N 3.1Å; A336-D340 VanDerWaalsContact O-CG 3.29Å; A336-D340 PolarHBondContact O-N 3.26Å
337K91.9Very high88.8Confident134 Ų13468 Ų6858%0.58335%0.346SS*.Hα-helixtrans-67.6-36.3177.4-71.2-179.1176.8-171.40112.2P332 T334 D340 L341P332-K337 HydrophobicContact CB-CB 3.86Å; T334-K337 PolarHBondContact O-N 2.7Å; T334-K337 VanDerWaalsContact O-N 3.13Å; T334-K337 WeakPolarHBondContact OG1-CG 3.19Å; T334-K337 PolarHBondContact OG1-N 3.18Å; K337-D340 PolarHBondContact O-N 3.44Å; K337-L341 WeakPolarHBondContact O-CB 3.49Å; K337-L341 PolarHBondContact O-N 3.32Å
338W93.2Very high89.5Confident8 Ų862.7 Ų62.73%0.0332%0.321CS..Hα-helixtrans-59.7-47.7170.2-86.4109.6000111.3L307 Q311 P331 P332 T334 K335 A336 D340 L341 L342 F375L307-W338 HydrophobicContact CB-CD2 4.2Å; L307-W338 HydrophobicContact CB-CE3 4.21Å; L307-W338 HydrophobicContact CB-CH2 3.96Å; L307-W338 HydrophobicContact CB-CZ2 3.92Å; L307-W338 HydrophobicContact CB-CZ3 4.1Å; L307-W338 HydrophobicContact CD1-CD2 4.05Å; L307-W338 HydrophobicContact CD1-CG 4.05Å; L307-W338 HydrophobicContact CD2-CD2 4.37Å; L307-W338 HydrophobicContact CD2-CE3 4.42Å; L307-W338 HydrophobicContact CG-CD2 4.44Å; Q311-W338 HydrophobicContact CB-CZ3 4.34Å; P331-W338 HydrophobicContact CB-CH2 4.39Å; P331-W338 HydrophobicContact CB-CZ2 3.95Å; P332-W338 HydrophobicContact CB-CD2 3.99Å; P332-W338 HydrophobicContact CB-CG 3.9Å; P332-W338 HydrophobicContact CG-CD2 3.89Å; P332-W338 HydrophobicContact CG-CE3 4.15Å; P332-W338 HydrophobicContact CG-CG 4.24Å; P332-W338 HydrophobicContact CG-CZ2 4.41Å; P332-W338 PolarHBondContact O-NE1 3.06Å; T334-W338 PolarHBondContact O-N 3.33Å; K335-W338 WeakPolarHBondContact O-CB 3.37Å; K335-W338 PolarHBondContact O-N 3.22Å; A336-W338 PolarHBondContact O-N 2.86Å; W338-D340 VanDerWaalsContact C-N 3.34Å; W338-D340 PolarHBondContact O-N 3.12Å; W338-L341 HydrophobicContact CE3-CD2 3.93Å; W338-L341 HydrophobicContact CZ3-CD2 3.94Å; W338-L341 PolarHBondContact O-N 2.85Å; W338-L342 HydrophobicContact CE3-CG 4.44Å; W338-L342 WeakPolarHBondContact O-CB 3.47Å; W338-L342 WeakPolarHBondContact O-CG 3.4Å; W338-L342 PolarHBondContact O-N 2.85Å; W338-F375 HydrophobicContact CB-CD2 4.14Å; W338-F375 HydrophobicContact CB-CE2 3.84Å
339A92.9Very high90.3Very high0 Ų059.6 Ų59.60%031%0.305CS..Hα-helixtrans-59.8-44.117800000111.8K335 A336 R343 I372 F375K335-A339 WeakPolarHBondContact O-CB 3.4Å; K335-A339 PolarHBondContact O-N 3.41Å; A336-A339 WeakPolarHBondContact O-CB 3.38Å; A336-A339 PolarHBondContact O-N 3.1Å; A339-R343 WeakPolarHBondContact O-CB 3.33Å; A339-R343 PolarHBondContact O-N 3.05Å; A339-I372 HydrophobicContact CB-CG2 4.45Å; A339-F375 HydrophobicContact CB-CB 3.98Å; A339-F375 HydrophobicContact CB-CD2 4.34Å
340D92Very high91Very high94 Ų9455.9 Ų55.950%0.50327%0.273SS..Hα-helixtrans-62.7-47.3178.7-67.2-24000112.8A336 K337 W338 R343 S344A336-D340 VanDerWaalsContact O-CG 3.29Å; A336-D340 PolarHBondContact O-N 3.26Å; K337-D340 PolarHBondContact O-N 3.44Å; W338-D340 VanDerWaalsContact C-N 3.34Å; W338-D340 PolarHBondContact O-N 3.12Å; D340-R343 PolarHBondContact O-N 3.08Å; D340-R343 IonicContact OD1-CZ 2.66Å; D340-R343 IonicContact OD1-NH1 3.8Å; D340-R343 PolarHBondContact OD1-NH1 2.9Å; D340-S344 PolarHBondContact O-N 3.26Å
341L93.5Very high91.3Very high30 Ų3054.6 Ų54.616%0.15727%0.269CS..Hα-helixtrans-56.8-57.4175167.672000111.3L328 P332 K337 W338 R343 S344 Q345L328-L341 HydrophobicContact CD1-CD1 3.54Å; L328-L341 HydrophobicContact CD1-CD2 3.22Å; L328-L341 HydrophobicContact CD1-CG 3.96Å; L328-L341 HydrophobicContact CD2-CD1 3.86Å; L328-L341 HydrophobicContact CG-CD1 4.12Å; P332-L341 HydrophobicContact CG-CD2 3.76Å; K337-L341 WeakPolarHBondContact O-CB 3.49Å; K337-L341 PolarHBondContact O-N 3.32Å; W338-L341 HydrophobicContact CE3-CD2 3.93Å; W338-L341 HydrophobicContact CZ3-CD2 3.94Å; W338-L341 PolarHBondContact O-N 2.85Å; L341-R343 PolarHBondContact O-N 3.03Å; L341-S344 WeakPolarHBondContact O-CB 3.27Å; L341-S344 PolarHBondContact O-N 3.12Å; L341-Q345 HydrophobicContact CD1-CG 4.41Å; L341-Q345 PolarHBondContact O-N 3.46Å
342L94.5Very high91.7Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-59.5-40.4-176-69.3175000110.1I310 L314 W338 S344 Q345 I346 T368 V371 I372I310-L342 HydrophobicContact CG2-CD2 3.88Å; L314-L342 HydrophobicContact CD1-CD2 3.81Å; W338-L342 HydrophobicContact CE3-CG 4.44Å; W338-L342 WeakPolarHBondContact O-CB 3.47Å; W338-L342 WeakPolarHBondContact O-CG 3.4Å; W338-L342 PolarHBondContact O-N 2.85Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 2.85Å; L342-Q345 PolarHBondContact O-N 3.34Å; L342-I346 WeakPolarHBondContact O-CG1 3.37Å; L342-I346 WeakPolarHBondContact O-CG2 3.42Å; L342-I346 PolarHBondContact O-N 2.91Å; L342-T368 HydrophobicContact CB-CG2 3.77Å; L342-T368 HydrophobicContact CD1-CG2 4.26Å; L342-T368 HydrophobicContact CD2-CG2 4.03Å; L342-T368 HydrophobicContact CG-CG2 4.23Å; L342-V371 HydrophobicContact CD1-CG1 3.89Å; L342-I372 HydrophobicContact CB-CD1 3.91Å; L342-I372 HydrophobicContact CB-CG1 3.87Å
343R93.2Very high91.7Very high49 Ų4951.9 Ų51.919%0.18525%0.251CS..Hα-helixtrans-61.5-38.2176.7-168.4-177-56.5107.1-4.8112.5A339 D340 L341 I346 K347 I372 D376A339-R343 WeakPolarHBondContact O-CB 3.33Å; A339-R343 PolarHBondContact O-N 3.05Å; D340-R343 PolarHBondContact O-N 3.08Å; D340-R343 IonicContact OD1-CZ 2.66Å; D340-R343 IonicContact OD1-NH1 3.8Å; D340-R343 PolarHBondContact OD1-NH1 2.9Å; L341-R343 PolarHBondContact O-N 3.03Å; R343-I346 WeakPolarHBondContact O-CG1 3.2Å; R343-K347 VanDerWaalsContact O-CG 3.3Å; R343-K347 WeakPolarHBondContact O-CG 3.48Å; R343-K347 PolarHBondContact O-N 2.92Å; R343-I372 HydrophobicContact CB-CD1 3.98Å; R343-D376 IonicContact CZ-OD2 2.9Å; R343-D376 IonicContact NH2-OD1 2.63Å; R343-D376 PolarHBondContact NH2-OD1 3.2Å; R343-D376 IonicContact NH2-OD2 3.86Å; R343-D376 PolarHBondContact NH2-OD2 2.65Å
344S92.2Very high91.8Very high59 Ų5944 Ų4441%0.41323%0.228SC..Hα-helixtrans-64.8-50.9174.5-1600000110.9D340 L341 L342 I346 K347 E348D340-S344 PolarHBondContact O-N 3.26Å; L341-S344 WeakPolarHBondContact O-CB 3.27Å; L341-S344 PolarHBondContact O-N 3.12Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 2.85Å; S344-I346 PolarHBondContact O-N 2.83Å; S344-K347 PolarHBondContact O-N 3.36Å; S344-E348 PolarHBondContact O-N 3.15Å
345Q93.5Very high91.9Very high4 Ų449.3 Ų49.32%0.01925%0.246CC..Hα-helixtrans-60.3-45.8-176.9-68.8179.9-38.600112.4L314 L325 L341 L342 K347 E348 L349L314-Q345 HydrophobicContact CD1-CB 4.19Å; L325-Q345 HydrophobicContact CD1-CB 4.17Å; L325-Q345 HydrophobicContact CD1-CG 4.21Å; L325-Q345 HydrophobicContact CD2-CB 4.48Å; L325-Q345 HydrophobicContact CD2-CG 4.38Å; L341-Q345 HydrophobicContact CD1-CG 4.41Å; L341-Q345 PolarHBondContact O-N 3.46Å; L342-Q345 PolarHBondContact O-N 3.34Å; Q345-K347 VanDerWaalsContact C-N 3.31Å; Q345-K347 PolarHBondContact O-N 3Å; Q345-E348 PolarHBondContact O-N 3.5Å; Q345-L349 WeakPolarHBondContact O-CG 3.5Å; Q345-L349 PolarHBondContact O-N 2.7Å
346I93.5Very high91.9Very high1 Ų149.5 Ų49.51%0.00525%0.253CS..Hα-helixtrans-67.9-30.4179.663.4172000113.1L261 L314 L342 R343 S344 E348 L349 F350 I365 T368 L369 I372L261-I346 HydrophobicContact CD2-CB 4.44Å; L261-I346 HydrophobicContact CD2-CD1 3.86Å; L261-I346 HydrophobicContact CD2-CG1 3.84Å; L314-I346 HydrophobicContact CD1-CG2 4.45Å; L314-I346 HydrophobicContact CD2-CG2 4.26Å; L342-I346 WeakPolarHBondContact O-CG1 3.37Å; L342-I346 WeakPolarHBondContact O-CG2 3.42Å; L342-I346 PolarHBondContact O-N 2.91Å; R343-I346 WeakPolarHBondContact O-CG1 3.2Å; S344-I346 PolarHBondContact O-N 2.83Å; I346-E348 VanDerWaalsContact C-N 3.31Å; I346-L349 PolarHBondContact O-N 2.65Å; I346-F350 VanDerWaalsContact O-CB 3.27Å; I346-F350 WeakPolarHBondContact O-CB 3.47Å; I346-F350 PolarHBondContact O-N 3.21Å; I346-I365 HydrophobicContact CB-CD1 4.18Å; I346-I365 HydrophobicContact CB-CG2 4.3Å; I346-I365 HydrophobicContact CG2-CD1 3.92Å; I346-I365 HydrophobicContact CG2-CG2 4.46Å; I346-T368 HydrophobicContact CG2-CG2 3.51Å; I346-L369 HydrophobicContact CD1-CD2 3.33Å; I346-L369 HydrophobicContact CD1-CG 3.71Å; I346-I372 HydrophobicContact CD1-CD1 3.44Å; I346-I372 VanDerWaalsContact CD1-CD1 3.44Å; I346-I372 HydrophobicContact CG1-CD1 4.24Å
347K91.9Very high91.7Very high107 Ų10749.7 Ų49.747%0.46526%0.259SS..Hα-helixtrans-67.1-35.9176.1-80.9-178.4178.2-176.60111.5H260 L261 R343 S344 Q345H260-K347 WeakPolarHBondContact O-CE 3.44Å; L261-K347 HydrophobicContact CD2-CG 3.8Å; R343-K347 VanDerWaalsContact O-CG 3.3Å; R343-K347 WeakPolarHBondContact O-CG 3.48Å; R343-K347 PolarHBondContact O-N 2.92Å; S344-K347 PolarHBondContact O-N 3.36Å; Q345-K347 VanDerWaalsContact C-N 3.31Å; Q345-K347 PolarHBondContact O-N 3Å
348E91.5Very high91.3Very high64 Ų6446.1 Ų46.130%0.29925%0.25SS..Hα-helixtrans-72.7-41.3176-72.1173.9-147.600111.6Y323 L325 S344 Q345 I346 P352Y323-E348 HydrophobicContact CE1-CB 3.84Å; L325-E348 HydrophobicContact CD2-CB 4.15Å; L325-E348 VanDerWaalsContact CD2-OE2 3.31Å; L325-E348 WeakPolarHBondContact CD2-OE2 3.33Å; S344-E348 PolarHBondContact O-N 3.15Å; Q345-E348 PolarHBondContact O-N 3.5Å; I346-E348 VanDerWaalsContact C-N 3.31Å; E348-P352 WeakPolarHBondContact O-CD 3.31Å; E348-P352 VanDerWaalsContact O-CG 3.23Å; E348-P352 WeakPolarHBondContact O-CG 3.16Å
349L93Very high90.8Very high0 Ų051.4 Ų51.40%027%0.274CS..Hα-helixtrans-79.1-28.8-176.3-68.6177.5000115.1L314 I317 A318 I321 Y323 L325 Q345 I346 I351 P352 I353 I365L314-L349 HydrophobicContact CB-CD1 4.13Å; L314-L349 HydrophobicContact CD2-CD1 4.02Å; I317-L349 HydrophobicContact CG2-CD1 4.21Å; A318-L349 HydrophobicContact CB-CD2 3.73Å; I321-L349 HydrophobicContact CD1-CD2 3.93Å; Y323-L349 HydrophobicContact CD1-CD2 4.03Å; Y323-L349 HydrophobicContact CG-CD2 4.46Å; L325-L349 HydrophobicContact CD1-CD1 3.66Å; L325-L349 HydrophobicContact CD1-CD2 3.96Å; L325-L349 HydrophobicContact CD1-CG 3.86Å; L325-L349 HydrophobicContact CD2-CG 4.47Å; L325-L349 HydrophobicContact CG-CD2 4.13Å; L325-L349 HydrophobicContact CG-CG 4.37Å; Q345-L349 WeakPolarHBondContact O-CG 3.5Å; Q345-L349 PolarHBondContact O-N 2.7Å; I346-L349 PolarHBondContact O-N 2.65Å; L349-I351 PolarHBondContact O-N 3.28Å; L349-P352 VanDerWaalsContact O-CD 3.31Å; L349-P352 WeakPolarHBondContact O-CD 3.22Å; L349-I353 HydrophobicContact CB-CD1 4.08Å; L349-I353 VanDerWaalsContact O-CG1 3.25Å; L349-I353 WeakPolarHBondContact O-CG1 3.35Å; L349-I353 PolarHBondContact O-N 3.37Å; L349-I365 HydrophobicContact CB-CD1 4.27Å
350F91.6Very high90.1Very high48 Ų4856 Ų5621%0.21130%0.298CS..Hα-helixtrans-58.2-49.8-170.1178.2-107.9000113.6W258 L261 I346 I353 C354 L362 I365W258-F350 HydrophobicContact CE3-CD2 4.38Å; W258-F350 AromaticContact CE3-CE2 3.84Å; W258-F350 HydrophobicContact CE3-CE2 3.84Å; W258-F350 HydrophobicContact CZ3-CD2 4.06Å; W258-F350 AromaticContact CZ3-CE2 3.72Å; W258-F350 HydrophobicContact CZ3-CE2 3.72Å; L261-F350 HydrophobicContact CB-CD1 4.33Å; L261-F350 HydrophobicContact CB-CG 4.47Å; L261-F350 HydrophobicContact CD1-CB 4.35Å; L261-F350 HydrophobicContact CD1-CD2 3.89Å; L261-F350 HydrophobicContact CD1-CE2 4.37Å; L261-F350 HydrophobicContact CD1-CG 4.07Å; I346-F350 VanDerWaalsContact O-CB 3.27Å; I346-F350 WeakPolarHBondContact O-CB 3.47Å; I346-F350 PolarHBondContact O-N 3.21Å; F350-I353 PolarHBondContact O-N 2.84Å; F350-C354 PolarHBondContact O-N 2.71Å; F350-C354 VanDerWaalsContact O-N 3.15Å; F350-C354 PolarHBondContact O-SG 3.02Å; F350-C354 VanDerWaalsContact O-SG 3.33Å; F350-L362 HydrophobicContact CD2-CD2 4.09Å; F350-L362 HydrophobicContact CE2-CD2 4.05Å; F350-I365 HydrophobicContact CD2-CG2 4.47Å
351I90.8Very high89.9Confident99 Ų9952.9 Ų52.951%0.50828%0.282SS..Hα-helixtrans-67.1-47.3-179.8-65.6172.8000111.6L349 I353 C354 K355L349-I351 PolarHBondContact O-N 3.28Å; I351-I353 PolarHBondContact O-N 2.7Å; I351-C354 PolarHBondContact O-N 2.81Å; I351-K355 HydrophobicContact CG2-CD 4.11Å; I351-K355 HydrophobicContact CG2-CG 4.43Å; I351-K355 WeakPolarHBondContact O-CG 3.1Å; I351-K355 PolarHBondContact O-N 3.44Å
352P92.1Very high89.6Confident28 Ų2853.2 Ų53.218%0.18228%0.283CS..Hα-helixtrans-52.5-45.1172.2-31.537.1000114.5I321 Y323 E348 L349 C354 K355 S356I321-P352 HydrophobicContact CD1-CB 3.67Å; I321-P352 HydrophobicContact CG1-CB 4.35Å; Y323-P352 HydrophobicContact CD2-CB 4.19Å; Y323-P352 HydrophobicContact CD2-CG 3.64Å; Y323-P352 HydrophobicContact CE2-CG 3.8Å; Y323-P352 HydrophobicContact CG-CG 4.31Å; E348-P352 WeakPolarHBondContact O-CD 3.31Å; E348-P352 VanDerWaalsContact O-CG 3.23Å; E348-P352 WeakPolarHBondContact O-CG 3.16Å; L349-P352 VanDerWaalsContact O-CD 3.31Å; L349-P352 WeakPolarHBondContact O-CD 3.22Å; P352-C354 PolarHBondContact O-N 3.28Å; P352-K355 PolarHBondContact O-N 3.26Å; P352-S356 PolarHBondContact O-N 3.45Å
353I91.2Very high89.2Confident0 Ų055.1 Ų55.10%029%0.294CS..Hα-helixtrans-60.7-45.6176.8-67.7165.4000111I317 I321 L349 F350 I351 K355 S356 G357 L361 L362 I365I317-I353 HydrophobicContact CG2-CD1 3.77Å; I317-I353 HydrophobicContact CG2-CG1 4.05Å; I321-I353 HydrophobicContact CD1-CG1 3.62Å; L349-I353 HydrophobicContact CB-CD1 4.08Å; L349-I353 VanDerWaalsContact O-CG1 3.25Å; L349-I353 WeakPolarHBondContact O-CG1 3.35Å; L349-I353 PolarHBondContact O-N 3.37Å; F350-I353 PolarHBondContact O-N 2.84Å; I351-I353 PolarHBondContact O-N 2.7Å; I353-K355 VanDerWaalsContact C-N 3.27Å; I353-K355 PolarHBondContact O-N 3.2Å; I353-S356 PolarHBondContact O-N 2.93Å; I353-S356 PolarHBondContact O-OG 3.28Å; I353-G357 PolarHBondContact O-N 3.35Å; I353-L361 HydrophobicContact CD1-CB 4.42Å; I353-L361 HydrophobicContact CG2-CB 4.06Å; I353-L362 HydrophobicContact CB-CD2 4.49Å; I353-L362 HydrophobicContact CG2-CD2 3.77Å; I353-L362 HydrophobicContact CG2-CG 4.08Å; I353-I365 HydrophobicContact CD1-CD1 3.8Å; I353-I365 HydrophobicContact CD1-CG1 3.7Å
354C89.1Confident89.1Confident48 Ų4854.5 Ų54.532%0.32429%0.293SS..Hα-helixtrans-62.8-35.9178.1-700000112.1F350 I351 P352F350-C354 PolarHBondContact O-N 2.71Å; F350-C354 VanDerWaalsContact O-N 3.15Å; F350-C354 PolarHBondContact O-SG 3.02Å; F350-C354 VanDerWaalsContact O-SG 3.33Å; I351-C354 PolarHBondContact O-N 2.81Å; P352-C354 PolarHBondContact O-N 3.28Å
355K89.8Confident89.1Confident177 Ų17751.7 Ų51.777%0.7727%0.273SS*.Hα-helixtrans-72.9-31.7177.3-75.2179.2177.3-178.50113.4I351 P352 I353 G357I351-K355 HydrophobicContact CG2-CD 4.11Å; I351-K355 HydrophobicContact CG2-CG 4.43Å; I351-K355 WeakPolarHBondContact O-CG 3.1Å; I351-K355 PolarHBondContact O-N 3.44Å; P352-K355 PolarHBondContact O-N 3.26Å; I353-K355 VanDerWaalsContact C-N 3.27Å; I353-K355 PolarHBondContact O-N 3.2Å; K355-G357 VanDerWaalsContact C-N 3.26Å; K355-G357 PolarHBondContact O-N 3.4Å
356S89Confident88.9Confident53 Ų5351.8 Ų51.837%0.37127%0.273SS..Hα-helixtrans-74.3-18.1177.970.90000113.1P352 I353 C358P352-S356 PolarHBondContact O-N 3.45Å; I353-S356 PolarHBondContact O-N 2.93Å; I353-S356 PolarHBondContact O-OG 3.28Å; S356-C358 PolarHBondContact O-N 3Å; S356-C358 WeakPolarHBondContact OG-CB 3.4Å; S356-C358 PolarHBondContact OG-N 3.28Å; S356-C358 PolarHBondContact OG-SG 3.05Å
357G84.5Confident88.8Confident41 Ų4151.9 Ų51.942%0.42327%0.274SS..THydrogen-bonded Turntrans76.12.5-174.600000113.8I353 K355 F359I353-G357 PolarHBondContact O-N 3.35Å; K355-G357 VanDerWaalsContact C-N 3.26Å; K355-G357 PolarHBondContact O-N 3.4Å; G357-F359 VanDerWaalsContact O-CD2 3.32Å; G357-F359 WeakPolarHBondContact O-CD2 3.29Å; G357-F359 PolarHBondContact O-N 3.5Å
358C83.7Confident88.9Confident58 Ų5846.9 Ų46.939%0.39225%0.252SS..  trans-79.359.7178.4-58.30000111.7S356 D360 L361S356-C358 PolarHBondContact O-N 3Å; S356-C358 WeakPolarHBondContact OG-CB 3.4Å; S356-C358 PolarHBondContact OG-N 3.28Å; S356-C358 PolarHBondContact OG-SG 3.05Å; C358-D360 PolarHBondContact O-N 3.01Å; C358-D360 VanDerWaalsContact O-N 3.09Å; C358-L361 HydrophobicContact CB-CD1 3.7Å; C358-L361 HydrophobicContact CB-CG 3.97Å; C358-L361 WeakPolarHBondContact O-CB 3.24Å; C358-L361 WeakPolarHBondContact O-CG 3.47Å; C358-L361 PolarHBondContact O-N 3.1Å
359F82.8Confident89Confident119 Ų11944 Ų4452%0.52224%0.239SC..G310 helixtrans-61.7-21.2-172.8-60.1-61.4000114.5G357 L361 L362G357-F359 VanDerWaalsContact O-CD2 3.32Å; G357-F359 WeakPolarHBondContact O-CD2 3.29Å; G357-F359 PolarHBondContact O-N 3.5Å; F359-L361 PolarHBondContact O-N 3.32Å; F359-L362 HydrophobicContact CB-CD1 4.32Å; F359-L362 HydrophobicContact CD1-CD1 4Å; F359-L362 VanDerWaalsContact O-CB 3.24Å; F359-L362 WeakPolarHBondContact O-CB 3.34Å; F359-L362 WeakPolarHBondContact O-CG 3.48Å; F359-L362 PolarHBondContact O-N 3.31Å
360D79.2Confident88.9Confident97 Ų9744 Ų4452%0.51924%0.239SC..G310 helixtrans-63.1-23.1175.7-61.5-46.8000112.3R2 C358 L362 N363R2-D360 IonicContact NH1-OD1 3.86Å; R2-D360 PolarHBondContact NH1-OD1 2.93Å; C358-D360 PolarHBondContact O-N 3.01Å; C358-D360 VanDerWaalsContact O-N 3.09Å; D360-L362 PolarHBondContact O-N 2.97Å; D360-N363 PolarHBondContact O-N 3.42Å; D360-N363 PolarHBondContact O-ND2 3.21Å
361L86.9Confident89.1Confident29 Ų2941.7 Ų41.715%0.15223%0.229CC..G310 helixtrans-70.1-19.5175.2-55.7-178.5000112.6I317 I321 I353 C358 F359 N363 H364I317-L361 HydrophobicContact CG1-CD2 4.25Å; I317-L361 HydrophobicContact CG2-CD1 4.17Å; I321-L361 HydrophobicContact CG2-CD1 3.83Å; I353-L361 HydrophobicContact CD1-CB 4.42Å; I353-L361 HydrophobicContact CG2-CB 4.06Å; C358-L361 HydrophobicContact CB-CD1 3.7Å; C358-L361 HydrophobicContact CB-CG 3.97Å; C358-L361 WeakPolarHBondContact O-CB 3.24Å; C358-L361 WeakPolarHBondContact O-CG 3.47Å; C358-L361 PolarHBondContact O-N 3.1Å; F359-L361 PolarHBondContact O-N 3.32Å; L361-N363 PolarHBondContact O-N 3.02Å; L361-N363 VanDerWaalsContact O-N 3.17Å; L361-H364 WeakPolarHBondContact O-CB 3.03Å; L361-H364 PolarHBondContact O-N 2.92Å
362L87.9Confident89.2Confident37 Ų3737.1 Ų37.119%0.19421%0.206CC..Hα-helixtrans-62.4-22.7178.1-65.9176.7000112.9W258 F350 I353 F359 D360 H364 I365 Q366W258-L362 HydrophobicContact CH2-CB 4.31Å; W258-L362 HydrophobicContact CZ3-CD2 4.48Å; F350-L362 HydrophobicContact CD2-CD2 4.09Å; F350-L362 HydrophobicContact CE2-CD2 4.05Å; I353-L362 HydrophobicContact CB-CD2 4.49Å; I353-L362 HydrophobicContact CG2-CD2 3.77Å; I353-L362 HydrophobicContact CG2-CG 4.08Å; F359-L362 HydrophobicContact CB-CD1 4.32Å; F359-L362 HydrophobicContact CD1-CD1 4Å; F359-L362 VanDerWaalsContact O-CB 3.24Å; F359-L362 WeakPolarHBondContact O-CB 3.34Å; F359-L362 WeakPolarHBondContact O-CG 3.48Å; F359-L362 PolarHBondContact O-N 3.31Å; D360-L362 PolarHBondContact O-N 2.97Å; L362-H364 PolarHBondContact O-N 2.64Å; L362-I365 WeakPolarHBondContact O-CB 2.93Å; L362-I365 PolarHBondContact O-N 3.13Å; L362-I365 VanDerWaalsContact O-N 3.15Å; L362-Q366 WeakPolarHBondContact O-CB 3.45Å; L362-Q366 PolarHBondContact O-N 3.23Å
363N86Confident89.1Confident40 Ų4037.2 Ų37.221%0.21420%0.203CC..Hα-helixtrans-60.4-33.3173.8-64.6-49000112.1L294 D360 L361 Q366 L367L294-N363 HydrophobicContact CD1-CB 3.97Å; D360-N363 PolarHBondContact O-N 3.42Å; D360-N363 PolarHBondContact O-ND2 3.21Å; L361-N363 PolarHBondContact O-N 3.02Å; L361-N363 VanDerWaalsContact O-N 3.17Å; N363-Q366 PolarHBondContact O-N 3.42Å; N363-L367 PolarHBondContact O-N 3.15Å
364H90.6Very high89.1Confident36 Ų3637.2 Ų37.217%0.16720%0.203CC..Hα-helixtrans-72.6-37.8176.5-63.587.7000111.6L294 I317 L361 L362 T368L294-H364 HydrophobicContact CD1-CB 4.21Å; L294-H364 VanDerWaalsContact CD2-NE2 3.34Å; L294-H364 WeakPolarHBondContact CD2-NE2 3.5Å; I317-H364 HydrophobicContact CD1-CB 3.38Å; L361-H364 WeakPolarHBondContact O-CB 3.03Å; L361-H364 PolarHBondContact O-N 2.92Å; L362-H364 PolarHBondContact O-N 2.64Å; H364-T368 WeakPolarHBondContact O-CB 3.21Å; H364-T368 PolarHBondContact O-N 3.13Å; H364-T368 PolarHBondContact O-OG1 3.22Å
365I91.6Very high89.2Confident0 Ų034.9 Ų34.90%019%0.188CC..Hα-helixtrans-63.8-44.2173.5-56.7-58.3000110W258 L261 L314 I346 L349 F350 I353 L362 T368 L369W258-I365 HydrophobicContact CE3-CG2 4.44Å; W258-I365 HydrophobicContact CH2-CB 4.13Å; W258-I365 HydrophobicContact CH2-CG2 4.03Å; W258-I365 HydrophobicContact CZ3-CB 4.12Å; W258-I365 HydrophobicContact CZ3-CG2 3.58Å; L261-I365 HydrophobicContact CD1-CG2 3.79Å; L314-I365 HydrophobicContact CD2-CD1 4.18Å; I346-I365 HydrophobicContact CB-CD1 4.18Å; I346-I365 HydrophobicContact CB-CG2 4.3Å; I346-I365 HydrophobicContact CG2-CD1 3.92Å; I346-I365 HydrophobicContact CG2-CG2 4.46Å; L349-I365 HydrophobicContact CB-CD1 4.27Å; F350-I365 HydrophobicContact CD2-CG2 4.47Å; I353-I365 HydrophobicContact CD1-CD1 3.8Å; I353-I365 HydrophobicContact CD1-CG1 3.7Å; L362-I365 WeakPolarHBondContact O-CB 2.93Å; L362-I365 PolarHBondContact O-N 3.13Å; L362-I365 VanDerWaalsContact O-N 3.15Å; I365-T368 PolarHBondContact O-N 3.46Å; I365-L369 HydrophobicContact CG2-CD1 4.21Å; I365-L369 HydrophobicContact CG2-CG 4.46Å; I365-L369 WeakPolarHBondContact O-CB 3.26Å; I365-L369 WeakPolarHBondContact O-CG 3.49Å; I365-L369 PolarHBondContact O-N 3.21Å
366Q89.9Confident89.1Confident6 Ų629 Ų293%0.02817%0.165CC..Hα-helixtrans-59.1-48.8177.1-165.2-170.226.700112V256 W258 T281 D282 L283 L362 N363 T368 L369 A370V256-Q366 HydrophobicContact CB-CG 4.24Å; V256-Q366 HydrophobicContact CG1-CG 4.2Å; V256-Q366 HydrophobicContact CG2-CG 4.32Å; W258-Q366 HydrophobicContact CH2-CB 4.01Å; W258-Q366 HydrophobicContact CZ2-CB 3.58Å; W258-Q366 HydrophobicContact CZ2-CG 3.74Å; T281-Q366 VanDerWaalsContact CB-NE2 3.28Å; T281-Q366 PolarHBondContact OG1-NE2 3.24Å; D282-Q366 PolarHBondContact O-NE2 2.72Å; L283-Q366 HydrophobicContact CD1-CB 4.33Å; L283-Q366 HydrophobicContact CD1-CG 3.8Å; L362-Q366 WeakPolarHBondContact O-CB 3.45Å; L362-Q366 PolarHBondContact O-N 3.23Å; N363-Q366 PolarHBondContact O-N 3.42Å; Q366-T368 VanDerWaalsContact C-N 3.33Å; Q366-T368 PolarHBondContact O-N 3.02Å; Q366-L369 WeakPolarHBondContact O-CB 3.41Å; Q366-L369 PolarHBondContact O-N 3.43Å; Q366-A370 PolarHBondContact O-N 2.79Å
367L91.6Very high88.8Confident2 Ų228.2 Ų28.21%0.0116%0.159CC..Hα-helixtrans-62.7-42.2177.5178.362.8000111.4I243 L283 L294 L295 Y298 N363 L369 A370 V371I243-L367 HydrophobicContact CD1-CD1 4.32Å; L283-L367 HydrophobicContact CD1-CB 4.36Å; L283-L367 HydrophobicContact CD1-CD1 4.47Å; L283-L367 HydrophobicContact CD2-CD1 4.17Å; L294-L367 HydrophobicContact CB-CD2 4.18Å; L295-L367 HydrophobicContact CD2-CD1 4.05Å; Y298-L367 HydrophobicContact CD2-CD2 3.67Å; Y298-L367 HydrophobicContact CE2-CD2 3.16Å; N363-L367 PolarHBondContact O-N 3.15Å; L367-L369 PolarHBondContact O-N 3.44Å; L367-A370 WeakPolarHBondContact O-CB 3.27Å; L367-A370 PolarHBondContact O-N 3.45Å; L367-V371 WeakPolarHBondContact O-CG2 3.48Å; L367-V371 PolarHBondContact O-N 3.11Å; L367-V371 VanDerWaalsContact O-N 3.07Å
368T94.3Very high88.6Confident3 Ų326.9 Ų26.92%0.01814%0.142CC..Hα-helixtrans-64.5-40.5178.2-55.90000111.6I310 L314 L342 I346 H364 I365 Q366 A370 V371 I372I310-T368 HydrophobicContact CG2-CG2 4.26Å; L314-T368 HydrophobicContact CD1-CG2 4.06Å; L342-T368 HydrophobicContact CB-CG2 3.77Å; L342-T368 HydrophobicContact CD1-CG2 4.26Å; L342-T368 HydrophobicContact CD2-CG2 4.03Å; L342-T368 HydrophobicContact CG-CG2 4.23Å; I346-T368 HydrophobicContact CG2-CG2 3.51Å; H364-T368 WeakPolarHBondContact O-CB 3.21Å; H364-T368 PolarHBondContact O-N 3.13Å; H364-T368 PolarHBondContact O-OG1 3.22Å; I365-T368 PolarHBondContact O-N 3.46Å; Q366-T368 VanDerWaalsContact C-N 3.33Å; Q366-T368 PolarHBondContact O-N 3.02Å; T368-A370 VanDerWaalsContact C-N 3.33Å; T368-A370 PolarHBondContact O-N 3.17Å; T368-V371 WeakPolarHBondContact O-CB 3.37Å; T368-V371 PolarHBondContact O-N 3.24Å; T368-I372 HydrophobicContact CG2-CD1 4.13Å; T368-I372 VanDerWaalsContact O-CG1 3.32Å; T368-I372 WeakPolarHBondContact O-CG1 3.49Å; T368-I372 PolarHBondContact O-N 2.77Å
369L93.3Very high88.4Confident3 Ų325.3 Ų25.32%0.01613%0.131CC..Hα-helixtrans-59.4-43.3171.9-80.2170.3000111.6V256 W258 L261 I346 I365 Q366 L367 V371 I372 H373V256-L369 HydrophobicContact CG1-CB 3.43Å; V256-L369 VanDerWaalsContact CG1-CB 3.43Å; V256-L369 HydrophobicContact CG1-CD1 4.14Å; V256-L369 HydrophobicContact CG1-CG 4.45Å; W258-L369 HydrophobicContact CD2-CD1 3.69Å; W258-L369 HydrophobicContact CE3-CD1 3.73Å; W258-L369 HydrophobicContact CG-CD1 4.13Å; W258-L369 HydrophobicContact CH2-CD1 4.43Å; W258-L369 HydrophobicContact CZ2-CD1 4.45Å; W258-L369 HydrophobicContact CZ3-CD1 4.08Å; L261-L369 HydrophobicContact CD1-CD1 3.75Å; L261-L369 HydrophobicContact CD1-CD2 4.26Å; L261-L369 HydrophobicContact CD1-CG 4.31Å; L261-L369 HydrophobicContact CG-CD1 4.48Å; L261-L369 HydrophobicContact CG-CD2 4.25Å; I346-L369 HydrophobicContact CD1-CD2 3.33Å; I346-L369 HydrophobicContact CD1-CG 3.71Å; I365-L369 HydrophobicContact CG2-CD1 4.21Å; I365-L369 HydrophobicContact CG2-CG 4.46Å; I365-L369 WeakPolarHBondContact O-CB 3.26Å; I365-L369 WeakPolarHBondContact O-CG 3.49Å; I365-L369 PolarHBondContact O-N 3.21Å; Q366-L369 WeakPolarHBondContact O-CB 3.41Å; Q366-L369 PolarHBondContact O-N 3.43Å; L367-L369 PolarHBondContact O-N 3.44Å; L369-V371 VanDerWaalsContact C-N 3.31Å; L369-V371 PolarHBondContact O-N 2.94Å; L369-I372 PolarHBondContact O-N 2.9Å; L369-H373 PolarHBondContact O-CD2 2.89Å; L369-H373 VanDerWaalsContact O-CG 3.29Å; L369-H373 PolarHBondContact O-N 3.33Å
370A92Very high87.8Confident0 Ų021.7 Ų21.70%012%0.12CC..Hα-helixtrans-56.6-47.2175.500000110.9I243 L247 V256 L283 Q366 L367 T368 I372 H373 T374I243-A370 HydrophobicContact CG2-CB 4.25Å; L247-A370 HydrophobicContact CD1-CB 4.02Å; L247-A370 WeakPolarHBondContact CD1-O 3.32Å; V256-A370 HydrophobicContact CG2-CB 3.8Å; L283-A370 HydrophobicContact CD2-CB 4.03Å; Q366-A370 PolarHBondContact O-N 2.79Å; L367-A370 WeakPolarHBondContact O-CB 3.27Å; L367-A370 PolarHBondContact O-N 3.45Å; T368-A370 VanDerWaalsContact C-N 3.33Å; T368-A370 PolarHBondContact O-N 3.17Å; A370-I372 PolarHBondContact O-N 3.21Å; A370-H373 PolarHBondContact O-N 3.35Å; A370-T374 WeakPolarHBondContact O-CB 3.48Å; A370-T374 PolarHBondContact O-N 3.43Å; A370-T374 PolarHBondContact O-OG1 3.5Å
371V93.9Very high87.3Confident0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-58.4-45.9176.6174.30000112.4L239 I243 L307 I310 L342 L367 T368 L369 T374 F375L239-V371 HydrophobicContact CD1-CG1 4.09Å; L239-V371 HydrophobicContact CD1-CG2 4.01Å; L239-V371 HydrophobicContact CD2-CG2 3.76Å; L239-V371 HydrophobicContact CG-CG2 4.14Å; I243-V371 HydrophobicContact CD1-CG2 3.86Å; L307-V371 HydrophobicContact CD2-CG1 3.98Å; I310-V371 HydrophobicContact CD1-CG2 3.76Å; L342-V371 HydrophobicContact CD1-CG1 3.89Å; L367-V371 WeakPolarHBondContact O-CG2 3.48Å; L367-V371 PolarHBondContact O-N 3.11Å; L367-V371 VanDerWaalsContact O-N 3.07Å; T368-V371 WeakPolarHBondContact O-CB 3.37Å; T368-V371 PolarHBondContact O-N 3.24Å; L369-V371 VanDerWaalsContact C-N 3.31Å; L369-V371 PolarHBondContact O-N 2.94Å; V371-T374 PolarHBondContact O-N 3Å; V371-F375 HydrophobicContact CG1-CD2 4.01Å; V371-F375 HydrophobicContact CG1-CE1 4.45Å; V371-F375 HydrophobicContact CG1-CE2 3.74Å; V371-F375 HydrophobicContact CG1-CG 4.5Å; V371-F375 HydrophobicContact CG1-CZ 4Å; V371-F375 WeakPolarHBondContact O-CB 3.49Å; V371-F375 WeakPolarHBondContact O-CG 3.31Å; V371-F375 PolarHBondContact O-N 3.06Å
372I93.9Very high86.2Confident3 Ų321.3 Ų21.32%0.01512%0.115CC..Hα-helixtrans-59.7-50.2178.1-67.4160.3000110.2A339 L342 R343 I346 T368 L369 A370 T374 F375 D376A339-I372 HydrophobicContact CB-CG2 4.45Å; L342-I372 HydrophobicContact CB-CD1 3.91Å; L342-I372 HydrophobicContact CB-CG1 3.87Å; R343-I372 HydrophobicContact CB-CD1 3.98Å; I346-I372 HydrophobicContact CD1-CD1 3.44Å; I346-I372 VanDerWaalsContact CD1-CD1 3.44Å; I346-I372 HydrophobicContact CG1-CD1 4.24Å; T368-I372 HydrophobicContact CG2-CD1 4.13Å; T368-I372 VanDerWaalsContact O-CG1 3.32Å; T368-I372 WeakPolarHBondContact O-CG1 3.49Å; T368-I372 PolarHBondContact O-N 2.77Å; L369-I372 PolarHBondContact O-N 2.9Å; A370-I372 PolarHBondContact O-N 3.21Å; I372-T374 VanDerWaalsContact C-N 3.33Å; I372-T374 PolarHBondContact O-N 2.75Å; I372-F375 PolarHBondContact O-N 3.48Å; I372-D376 WeakPolarHBondContact O-CB 3.47Å; I372-D376 PolarHBondContact O-N 3.15Å
373H90.8Very high84.5Confident29 Ų2927.5 Ų27.513%0.13414%0.136CC..Hα-helixtrans-61.7-40.6-180-67.5-41.6000112.1L247 S257 H260 L369 A370 D376 S377L247-H373 HydrophobicContact CD1-CB 4.1Å; L247-H373 HydrophobicContact CD2-CB 4.02Å; S257-H373 PolarHBondContact O-NE2 3.25Å; H260-H373 AromaticContact ND1-CE1 3.76Å; L369-H373 PolarHBondContact O-CD2 2.89Å; L369-H373 VanDerWaalsContact O-CG 3.29Å; L369-H373 PolarHBondContact O-N 3.33Å; A370-H373 PolarHBondContact O-N 3.35Å; H373-D376 PolarHBondContact O-N 3.41Å; H373-S377 WeakPolarHBondContact O-CB 3.41Å; H373-S377 PolarHBondContact O-N 3.01Å
374T90.1Very high82.8Confident0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-60.2-47.7173.7-610000111.1T242 I243 E246 L247 A370 V371 I372 S377 I378T242-T374 HydrophobicContact CG2-CG2 3.4Å; I243-T374 WeakPolarHBondContact CA-OG1 3.47Å; I243-T374 HydrophobicContact CG1-CG2 4.4Å; E246-T374 HydrophobicContact CB-CG2 3.95Å; E246-T374 HydrophobicContact CG-CG2 3.93Å; L247-T374 WeakPolarHBondContact CD1-OG1 3.36Å; A370-T374 WeakPolarHBondContact O-CB 3.48Å; A370-T374 PolarHBondContact O-N 3.43Å; A370-T374 PolarHBondContact O-OG1 3.5Å; V371-T374 PolarHBondContact O-N 3Å; I372-T374 VanDerWaalsContact C-N 3.33Å; I372-T374 PolarHBondContact O-N 2.75Å; T374-S377 WeakPolarHBondContact O-CB 3.46Å; T374-S377 PolarHBondContact O-N 3.21Å; T374-I378 HydrophobicContact CG2-CD1 4.15Å; T374-I378 WeakPolarHBondContact O-CG1 3.41Å; T374-I378 PolarHBondContact O-N 3.32Å
375F91.9Very high80.7Confident0 Ų029.9 Ų29.90%014%0.142CC..Hα-helixtrans-68.6-35.4-179.5-72.4-3.9000112.8L239 L307 K335 W338 A339 V371 I372 I378 T379L239-F375 HydrophobicContact CD1-CE1 4.03Å; L239-F375 HydrophobicContact CD1-CZ 3.99Å; L307-F375 HydrophobicContact CD1-CE2 4.31Å; L307-F375 HydrophobicContact CD1-CZ 4.13Å; L307-F375 HydrophobicContact CD2-CE2 3.75Å; L307-F375 HydrophobicContact CD2-CZ 3.84Å; K335-F375 HydrophobicContact CB-CB 4.29Å; K335-F375 HydrophobicContact CB-CD1 4.15Å; K335-F375 HydrophobicContact CB-CD2 3.94Å; K335-F375 HydrophobicContact CB-CE1 4.43Å; K335-F375 HydrophobicContact CB-CE2 4.23Å; K335-F375 HydrophobicContact CB-CG 3.88Å; K335-F375 HydrophobicContact CB-CZ 4.46Å; K335-F375 HydrophobicContact CD-CD1 3.95Å; K335-F375 HydrophobicContact CD-CE1 3.9Å; K335-F375 HydrophobicContact CD-CZ 4.44Å; K335-F375 HydrophobicContact CG-CD1 4.2Å; K335-F375 HydrophobicContact CG-CD2 4.48Å; K335-F375 HydrophobicContact CG-CE1 4.06Å; K335-F375 HydrophobicContact CG-CE2 4.34Å; K335-F375 HydrophobicContact CG-CG 4.4Å; K335-F375 HydrophobicContact CG-CZ 4.12Å; K335-F375 VanDerWaalsContact O-CD2 3.27Å; K335-F375 WeakPolarHBondContact O-CD2 3.26Å; W338-F375 HydrophobicContact CB-CD2 4.14Å; W338-F375 HydrophobicContact CB-CE2 3.84Å; A339-F375 HydrophobicContact CB-CB 3.98Å; A339-F375 HydrophobicContact CB-CD2 4.34Å; V371-F375 HydrophobicContact CG1-CD2 4.01Å; V371-F375 HydrophobicContact CG1-CE1 4.45Å; V371-F375 HydrophobicContact CG1-CE2 3.74Å; V371-F375 HydrophobicContact CG1-CG 4.5Å; V371-F375 HydrophobicContact CG1-CZ 4Å; V371-F375 WeakPolarHBondContact O-CB 3.49Å; V371-F375 WeakPolarHBondContact O-CG 3.31Å; V371-F375 PolarHBondContact O-N 3.06Å; I372-F375 PolarHBondContact O-N 3.48Å; F375-I378 HydrophobicContact CD1-CD1 4.27Å; F375-T379 VanDerWaalsContact O-CB 3.26Å; F375-T379 WeakPolarHBondContact O-CB 3.48Å; F375-T379 PolarHBondContact O-N 2.73Å; F375-T379 PolarHBondContact O-OG1 2.78Å
376D87.4Confident78.4Confident54 Ų5437 Ų3729%0.28918%0.175SC..Hα-helixtrans-65.1-41.9171.7-73.5-23.2000110.9R343 I372 H373 T379 S380R343-D376 IonicContact CZ-OD2 2.9Å; R343-D376 IonicContact NH2-OD1 2.63Å; R343-D376 PolarHBondContact NH2-OD1 3.2Å; R343-D376 IonicContact NH2-OD2 3.86Å; R343-D376 PolarHBondContact NH2-OD2 2.65Å; I372-D376 WeakPolarHBondContact O-CB 3.47Å; I372-D376 PolarHBondContact O-N 3.15Å; H373-D376 PolarHBondContact O-N 3.41Å; D376-T379 PolarHBondContact O-N 3.23Å; D376-S380 WeakPolarHBondContact O-CB 3.36Å; D376-S380 PolarHBondContact O-N 2.95Å; D376-S380 PolarHBondContact O-OG 3Å
377S82.8Confident76.1Confident36 Ų3641.3 Ų41.325%0.25220%0.202SC..Hα-helixtrans-58.6-52.5174.6-174.50000111.6E246 H373 T374 T379 S380 R381E246-S377 WeakPolarHBondContact OE2-CB 3.37Å; E246-S377 PolarHBondContact OE2-OG 2.79Å; H373-S377 WeakPolarHBondContact O-CB 3.41Å; H373-S377 PolarHBondContact O-N 3.01Å; T374-S377 WeakPolarHBondContact O-CB 3.46Å; T374-S377 PolarHBondContact O-N 3.21Å; S377-T379 VanDerWaalsContact C-N 3.32Å; S377-T379 PolarHBondContact O-N 2.84Å; S377-S380 PolarHBondContact O-N 3.15Å; S377-S380 VanDerWaalsContact O-N 3.16Å; S377-S380 PolarHBondContact O-OG 3.44Å; S377-R381 PolarHBondContact O-N 3.08Å
378I81Confident73.8Confident13 Ų1347.7 Ų47.77%0.06724%0.24CC..Hα-helixtrans-58.8-45.3177.1-64.9166000111.2T242 E246 K335 T374 F375 S380 R381 N382T242-I378 HydrophobicContact CG2-CD1 3.31Å; T242-I378 HydrophobicContact CG2-CG1 4.3Å; E246-I378 HydrophobicContact CG-CG1 4.08Å; K335-I378 HydrophobicContact CD-CD1 4.14Å; T374-I378 HydrophobicContact CG2-CD1 4.15Å; T374-I378 WeakPolarHBondContact O-CG1 3.41Å; T374-I378 PolarHBondContact O-N 3.32Å; F375-I378 HydrophobicContact CD1-CD1 4.27Å; I378-S380 VanDerWaalsContact C-N 3.3Å; I378-S380 PolarHBondContact O-N 3.39Å; I378-R381 PolarHBondContact O-N 3.17Å; I378-N382 VanDerWaalsContact O-CG 3.32Å; I378-N382 PolarHBondContact O-N 3.34Å; I378-N382 PolarHBondContact O-ND2 3.44Å
379T78Confident71.5Confident24 Ų2454.9 Ų54.915%0.14727%0.274CS..Hα-helixtrans-64.2-39.8-179.9-58.50000110.8F375 D376 S377 N382 R383F375-T379 VanDerWaalsContact O-CB 3.26Å; F375-T379 WeakPolarHBondContact O-CB 3.48Å; F375-T379 PolarHBondContact O-N 2.73Å; F375-T379 PolarHBondContact O-OG1 2.78Å; D376-T379 PolarHBondContact O-N 3.23Å; S377-T379 VanDerWaalsContact C-N 3.32Å; S377-T379 PolarHBondContact O-N 2.84Å; T379-N382 PolarHBondContact O-N 2.78Å; T379-R383 HydrophobicContact CG2-CG 4.43Å; T379-R383 WeakPolarHBondContact O-CG 3.16Å; T379-R383 PolarHBondContact O-N 2.78Å
380S70.4Confident69.5Low44 Ų4462.8 Ų62.831%0.30832%0.316SS..Hα-helixtrans-61.9-51.8176.278.50000110.6D376 S377 I378 N382 R383 Y384D376-S380 WeakPolarHBondContact O-CB 3.36Å; D376-S380 PolarHBondContact O-N 2.95Å; D376-S380 PolarHBondContact O-OG 3Å; S377-S380 PolarHBondContact O-N 3.15Å; S377-S380 VanDerWaalsContact O-N 3.16Å; S377-S380 PolarHBondContact O-OG 3.44Å; I378-S380 VanDerWaalsContact C-N 3.3Å; I378-S380 PolarHBondContact O-N 3.39Å; S380-N382 VanDerWaalsContact C-N 3.26Å; S380-N382 PolarHBondContact O-N 3.1Å; S380-R383 PolarHBondContact O-N 3.03Å; S380-Y384 WeakPolarHBondContact O-CD2 3.39Å; S380-Y384 PolarHBondContact O-N 3.26Å
381R68.4Low67.8Low47 Ų4770.2 Ų70.218%0.17736%0.356CS..Hα-helixtrans-49.6-46.9174.2177.7164.257.3111.8-9.9111.6E246 S377 I378 H385E246-R381 IonicContact OE1-CZ 3.72Å; E246-R381 IonicContact OE1-NE 3.93Å; E246-R381 IonicContact OE1-NH2 3.85Å; E246-R381 PolarHBondContact OE1-NH2 2.92Å; S377-R381 PolarHBondContact O-N 3.08Å; I378-R381 PolarHBondContact O-N 3.17Å; R381-H385 PolarHBondContact O-CD2 3.21Å
382N64.5Low66.4Low70 Ų7073.7 Ų73.737%0.37437%0.373SS..Hα-helixtrans-69.7-36.3178.8-68.2-17000113.8I378 T379 S380 Y384 H385I378-N382 VanDerWaalsContact O-CG 3.32Å; I378-N382 PolarHBondContact O-N 3.34Å; I378-N382 PolarHBondContact O-ND2 3.44Å; T379-N382 PolarHBondContact O-N 2.78Å; S380-N382 VanDerWaalsContact C-N 3.26Å; S380-N382 PolarHBondContact O-N 3.1Å; N382-Y384 VanDerWaalsContact C-N 3.33Å; N382-Y384 PolarHBondContact O-N 2.87Å; N382-H385 PolarHBondContact O-N 3.02Å; N382-H385 VanDerWaalsContact O-N 3.1Å
383R52.4Low65.6Low168 Ų16875.3 Ų75.363%0.63438%0.381SS*.Hα-helixtrans-64.9-34.2178.7-77.7-174.7-146.3165.111.2112.8T379 S380 H385 H386T379-R383 HydrophobicContact CG2-CG 4.43Å; T379-R383 WeakPolarHBondContact O-CG 3.16Å; T379-R383 PolarHBondContact O-N 2.78Å; S380-R383 PolarHBondContact O-N 3.03Å; R383-H385 PolarHBondContact O-N 3.38Å; R383-H386 PolarHBondContact O-N 3.38Å; R383-H386 VanDerWaalsContact O-N 3.15Å
384Y49.5Very low65.3Low98 Ų9876 Ų7638%0.38439%0.389SS..THydrogen-bonded Turntrans-70.4-12175.5-67-75.8000113.3S380 N382 P492S380-Y384 WeakPolarHBondContact O-CD2 3.39Å; S380-Y384 PolarHBondContact O-N 3.26Å; N382-Y384 VanDerWaalsContact C-N 3.33Å; N382-Y384 PolarHBondContact O-N 2.87Å; Y384-P492 HydrophobicContact CD2-CG 3.25Å; Y384-P492 HydrophobicContact CE2-CG 3.53Å; Y384-P492 HydrophobicContact CG-CG 4.02Å
385H47.5Very low65.1Low28 Ų2876.4 Ų76.413%0.1339%0.391CS..THydrogen-bonded Turntrans-93.4-7.1172.5-61.6-42.3000113.4R381 N382 R383 T387 P441 E445R381-H385 PolarHBondContact O-CD2 3.21Å; N382-H385 PolarHBondContact O-N 3.02Å; N382-H385 VanDerWaalsContact O-N 3.1Å; R383-H385 PolarHBondContact O-N 3.38Å; H385-T387 VanDerWaalsContact C-N 3.31Å; H385-T387 PolarHBondContact O-N 3.22Å; H385-T387 VanDerWaalsContact O-N 3.13Å; H385-P441 HydrophobicContact CB-CB 4.11Å; H385-P441 HydrophobicContact CB-CG 4.18Å; H385-P441 WeakPolarHBondContact ND1-CB 3.23Å; H385-E445 IonicContact CD2-OE1 3.15Å; H385-E445 IonicContact NE2-OE1 3.67Å
386H42.5Very low64.7Low148 Ų14881.7 Ų81.769%0.68542%0.416SS*.  trans-87.161.8177-71.6-46.5000112.6R383 V388R383-H386 PolarHBondContact O-N 3.38Å; R383-H386 VanDerWaalsContact O-N 3.15Å; H386-V388 PolarHBondContact O-N 3.48Å; H386-V388 VanDerWaalsContact O-N 3.11Å
387T42.7Very low64.7Low97 Ų9785.7 Ų85.760%0.59543%0.431SS*.  trans-76.284151.530.60000108.7H385 H389H385-T387 VanDerWaalsContact C-N 3.31Å; H385-T387 PolarHBondContact O-N 3.22Å; H385-T387 VanDerWaalsContact O-N 3.13Å; T387-H389 PolarHBondContact O-N 2.86Å
388V42.3Very low65.1Low136 Ų13684 Ų8482%0.82442%0.419SS*.SBendtrans34.6-4.9153.7-164.90000121.5H386 N390H386-V388 PolarHBondContact O-N 3.48Å; H386-V388 VanDerWaalsContact O-N 3.11Å; V388-N390 PolarHBondContact O-N 2.94Å
389H46.3Very low65.6Low155 Ų15583.4 Ų83.472%0.71842%0.416SS*.  trans-89.4107.8175.3-71.2-63.4000109.9T387 D391 M392T387-H389 PolarHBondContact O-N 2.86Å; H389-D391 PolarHBondContact O-N 2.89Å; H389-M392 PolarHBondContact O-N 2.96Å
390N50.7Low66.1Low169 Ų16987 Ų8790%0.90444%0.438SS*.THydrogen-bonded Turntrans-56.2-5.7178.6-82.3-20.7000115.4V388V388-N390 PolarHBondContact O-N 2.94Å
391D56.5Low67.1Low156 Ų15690 Ų9083%0.83445%0.445SS*.THydrogen-bonded Turntrans-100.99-176.8-74.3-22.1000114.7H389 I393H389-D391 PolarHBondContact O-N 2.89Å; D391-I393 PolarHBondContact O-N 2.96Å
392M65.5Low68.2Low72 Ų7288.2 Ų88.236%0.35544%0.438SS..PPolyproline II helixtrans-66.1124.4177.4-66.3-162.885.300111.3H389 P441H389-M392 PolarHBondContact O-N 2.96Å; M392-P441 HydrophobicContact CE-CB 3.65Å
393I77.7Confident69.4Low37 Ų3786.2 Ų86.219%0.1943%0.427CS..PPolyproline II helixtrans-77.7130.7174.2-159.3159.7000108.7D391 K397 L398 K439 L440D391-I393 PolarHBondContact O-N 2.96Å; I393-K397 HydrophobicContact CG1-CB 4.29Å; I393-L398 HydrophobicContact CD1-CD2 3.38Å; I393-L398 HydrophobicContact CD1-CG 3.84Å; I393-L398 HydrophobicContact CG1-CD2 4.08Å; I393-L398 HydrophobicContact CG1-CG 3.95Å; I393-L398 HydrophobicContact CG2-CD1 4.13Å; I393-L398 HydrophobicContact CG2-CG 4.26Å; I393-K439 HydrophobicContact CG2-CB 3.68Å; I393-L440 HydrophobicContact CG2-CD2 4.41Å
394S82.7Confident71.1Confident43 Ų4387.7 Ų87.730%0.30143%0.433SS..PPolyproline II helixtrans-83.4150.9173.465.80000110.7E396 K397 L398S394-E396 PolarHBondContact O-N 2.76Å; S394-K397 PolarHBondContact O-N 3.4Å; S394-K397 VanDerWaalsContact O-N 3.12Å; S394-K397 VanDerWaalsContact OG-CG 3.31Å; S394-K397 WeakPolarHBondContact OG-CG 3.41Å; S394-K397 PolarHBondContact OG-N 3.07Å; S394-L398 PolarHBondContact O-N 3.35Å; S394-L398 VanDerWaalsContact O-N 3.17Å
395M86.4Confident73.1Confident10 Ų1085.9 Ų85.95%0.04943%0.434CS..Hα-helixtrans-53.2-43.1172.5-178.5172.95500112Y233 T234 K397 L398 L399 L440 E445 L448 F449Y233-M395 WeakPolarHBondContact O-CE 3.29Å; T234-M395 HydrophobicContact CG2-CE 3.87Å; T234-M395 HydrophobicContact CG2-SD 3.82Å; M395-K397 PolarHBondContact O-N 3.43Å; M395-L398 PolarHBondContact O-N 3.11Å; M395-L399 HydrophobicContact CG-CD1 4.12Å; M395-L399 HydrophobicContact CG-CG 4.43Å; M395-L399 WeakPolarHBondContact O-CG 3.31Å; M395-L399 PolarHBondContact O-N 2.91Å; M395-L440 HydrophobicContact CB-CD2 4.12Å; M395-E445 HydrophobicContact SD-CB 4.4Å; M395-L448 HydrophobicContact CE-CD1 4.1Å; M395-L448 HydrophobicContact SD-CB 3.73Å; M395-L448 HydrophobicContact SD-CD1 4.29Å; M395-F449 HydrophobicContact CG-CB 4.46Å; M395-F449 HydrophobicContact CG-CD2 4.44Å
396E84.4Confident75.1Confident110 Ų11084.5 Ų84.551%0.51443%0.428SS..Hα-helixtrans-56.8-44.5176.1-70172.8179.800112.8T234 S394 L398 L399 V400T234-E396 WeakPolarHBondContact O-CG 3.48Å; S394-E396 PolarHBondContact O-N 2.76Å; E396-L398 PolarHBondContact O-N 3.28Å; E396-L399 PolarHBondContact O-N 3.07Å; E396-V400 WeakPolarHBondContact O-CG2 3.28Å; E396-V400 PolarHBondContact O-N 3.17Å
397K87.4Confident77.1Confident139 Ų13979.7 Ų79.760%0.60441%0.407SS*.Hα-helixtrans-63.5-41.2178.1-77.3175.2-178177.10111.6I393 S394 M395 K401I393-K397 HydrophobicContact CG1-CB 4.29Å; S394-K397 PolarHBondContact O-N 3.4Å; S394-K397 VanDerWaalsContact O-N 3.12Å; S394-K397 VanDerWaalsContact OG-CG 3.31Å; S394-K397 WeakPolarHBondContact OG-CG 3.41Å; S394-K397 PolarHBondContact OG-N 3.07Å; M395-K397 PolarHBondContact O-N 3.43Å; K397-K401 WeakPolarHBondContact O-CB 3.26Å; K397-K401 PolarHBondContact O-N 2.85Å; K397-K401 VanDerWaalsContact O-N 3.13Å
398L91.5Very high79.3Confident0 Ų079.3 Ų79.30%040%0.404CS..Hα-helixtrans-63.5-45.2175-73.9177.7000111.4I393 S394 M395 E396 K401 F402 E436 A437 L440 F449I393-L398 HydrophobicContact CD1-CD2 3.38Å; I393-L398 HydrophobicContact CD1-CG 3.84Å; I393-L398 HydrophobicContact CG1-CD2 4.08Å; I393-L398 HydrophobicContact CG1-CG 3.95Å; I393-L398 HydrophobicContact CG2-CD1 4.13Å; I393-L398 HydrophobicContact CG2-CG 4.26Å; S394-L398 PolarHBondContact O-N 3.35Å; S394-L398 VanDerWaalsContact O-N 3.17Å; M395-L398 PolarHBondContact O-N 3.11Å; E396-L398 PolarHBondContact O-N 3.28Å; L398-K401 WeakPolarHBondContact O-CB 3.4Å; L398-K401 PolarHBondContact O-N 2.82Å; L398-F402 HydrophobicContact CD2-CD2 4.35Å; L398-F402 HydrophobicContact CD2-CE2 3.95Å; L398-F402 WeakPolarHBondContact O-CD2 3.36Å; L398-F402 PolarHBondContact O-N 3.41Å; L398-E436 HydrophobicContact CD2-CB 3.83Å; L398-A437 HydrophobicContact CD1-CB 4.11Å; L398-L440 HydrophobicContact CD1-CD1 4Å; L398-L440 HydrophobicContact CD1-CD2 3.78Å; L398-L440 HydrophobicContact CD1-CG 3.83Å; L398-F449 HydrophobicContact CB-CD2 4.15Å; L398-F449 HydrophobicContact CB-CE2 3.47Å; L398-F449 VanDerWaalsContact CB-CE2 3.47Å; L398-F449 HydrophobicContact CB-CZ 3.96Å; L398-F449 HydrophobicContact CD1-CE2 4.3Å; L398-F449 HydrophobicContact CD1-CZ 4.36Å; L398-F449 HydrophobicContact CG-CE2 4.49Å
399L90.2Very high81.5Confident1 Ų173.2 Ų73.21%0.00537%0.368CS..Hα-helixtrans-60.7-49.6178.4-71.4174.8000111.3T234 M395 E396 K401 F402 E403 F449 H452 T453T234-L399 HydrophobicContact CG2-CD1 4.19Å; M395-L399 HydrophobicContact CG-CD1 4.12Å; M395-L399 HydrophobicContact CG-CG 4.43Å; M395-L399 WeakPolarHBondContact O-CG 3.31Å; M395-L399 PolarHBondContact O-N 2.91Å; E396-L399 PolarHBondContact O-N 3.07Å; L399-K401 PolarHBondContact O-N 2.88Å; L399-F402 PolarHBondContact O-N 2.78Å; L399-E403 WeakPolarHBondContact O-CB 3.36Å; L399-E403 PolarHBondContact O-N 3.34Å; L399-F449 HydrophobicContact CD2-CD2 3.73Å; L399-F449 HydrophobicContact CD2-CE2 3.81Å; L399-F449 HydrophobicContact CG-CD2 4.07Å; L399-F449 HydrophobicContact CG-CE2 4.2Å; L399-H452 HydrophobicContact CD2-CB 4.33Å; L399-H452 WeakPolarHBondContact CD2-CD2 3.45Å; L399-T453 HydrophobicContact CD2-CG2 4.37Å
400V87.8Confident83.4Confident100 Ų10065.8 Ų65.861%0.60633%0.334SS*.Hα-helixtrans-55.5-38176.6170.10000111.7E396E396-V400 WeakPolarHBondContact O-CG2 3.28Å; E396-V400 PolarHBondContact O-N 3.17Å
401K91.6Very high85Confident105 Ų10561.6 Ų61.646%0.45731%0.309SS..Hα-helixtrans-71.1-45.8179.9-179.3175.3172.7-177.60113.3K397 L398 L399 E436K397-K401 WeakPolarHBondContact O-CB 3.26Å; K397-K401 PolarHBondContact O-N 2.85Å; K397-K401 VanDerWaalsContact O-N 3.13Å; L398-K401 WeakPolarHBondContact O-CB 3.4Å; L398-K401 PolarHBondContact O-N 2.82Å; L399-K401 PolarHBondContact O-N 2.88Å; K401-E436 IonicContact NZ-OE1 3.57Å; K401-E436 PolarHBondContact NZ-OE1 3.24Å; K401-E436 IonicContact NZ-OE2 3.21Å; K401-E436 PolarHBondContact NZ-OE2 2.79Å
402F93.3Very high86.4Confident10 Ų1055.9 Ų55.94%0.04428%0.283CS..Hα-helixtrans-96.7-28.5-168.7-73.5-70.1000114.5L398 L399 R404 S405 L406 I429 N432 A433 E436 F449L398-F402 HydrophobicContact CD2-CD2 4.35Å; L398-F402 HydrophobicContact CD2-CE2 3.95Å; L398-F402 WeakPolarHBondContact O-CD2 3.36Å; L398-F402 PolarHBondContact O-N 3.41Å; L399-F402 PolarHBondContact O-N 2.78Å; F402-R404 PolarHBondContact O-N 3.02Å; F402-S405 PolarHBondContact O-N 3.22Å; F402-L406 HydrophobicContact CB-CD1 4.36Å; F402-L406 WeakPolarHBondContact O-CB 3.48Å; F402-L406 WeakPolarHBondContact O-CG 3.45Å; F402-L406 PolarHBondContact O-N 3.49Å; F402-I429 HydrophobicContact CD1-CG2 3.91Å; F402-N432 HydrophobicContact CE1-CB 4.31Å; F402-N432 WeakPolarHBondContact CE1-ND2 3.43Å; F402-N432 WeakPolarHBondContact CZ-ND2 3.49Å; F402-A433 HydrophobicContact CB-CB 4.3Å; F402-A433 HydrophobicContact CD1-CB 3.78Å; F402-A433 HydrophobicContact CD2-CB 3.8Å; F402-A433 HydrophobicContact CE1-CB 3.99Å; F402-A433 HydrophobicContact CE2-CB 4.03Å; F402-A433 HydrophobicContact CG-CB 3.68Å; F402-A433 HydrophobicContact CZ-CB 4.12Å; F402-E436 HydrophobicContact CE2-CB 4.35Å; F402-E436 HydrophobicContact CZ-CG 4.4Å; F402-F449 HydrophobicContact CD2-CZ 4.3Å
403E88.4Confident87.4Confident28 Ų2852.5 Ų52.513%0.13127%0.266CS..Hα-helixtrans-63-46.4-171.3-178.2-179.3143.800112.8R235 L399 S405 L406 L407 H452 L456 Y533R235-E403 IonicContact CZ-OE1 3.32Å; R235-E403 IonicContact CZ-OE2 2.7Å; R235-E403 IonicContact NE-OE2 3.12Å; R235-E403 IonicContact NH1-OE1 3.73Å; R235-E403 PolarHBondContact NH1-OE1 2.94Å; R235-E403 IonicContact NH1-OE2 3.66Å; R235-E403 PolarHBondContact NH1-OE2 2.85Å; R235-E403 IonicContact NH2-OE2 2.65Å; R235-E403 PolarHBondContact NH2-OE2 3.41Å; L399-E403 WeakPolarHBondContact O-CB 3.36Å; L399-E403 PolarHBondContact O-N 3.34Å; E403-S405 VanDerWaalsContact C-N 3.3Å; E403-S405 PolarHBondContact O-N 3.15Å; E403-L406 PolarHBondContact O-N 2.82Å; E403-L407 HydrophobicContact CG-CD1 4.06Å; E403-L407 HydrophobicContact CG-CG 4.44Å; E403-L407 WeakPolarHBondContact O-CB 3.27Å; E403-L407 VanDerWaalsContact O-CG 3.3Å; E403-L407 WeakPolarHBondContact O-CG 3.45Å; E403-L407 PolarHBondContact O-N 3.17Å; E403-H452 IonicContact OE2-NE2 3.23Å; E403-L456 HydrophobicContact CB-CD1 4.31Å; E403-L456 HydrophobicContact CG-CD1 3.99Å; E403-L456 HydrophobicContact CG-CD2 4.43Å; E403-Y533 HydrophobicContact CG-CE2 4.49Å
404R87.6Confident87.5Confident200 Ų20051.4 Ų51.476%0.75526%0.263SS*.Hα-helixtrans-60.7-42177.9-175.6176.1178.9176.70.1111.6F402 L407 V408F402-R404 PolarHBondContact O-N 3.02Å; R404-L407 PolarHBondContact O-N 2.8Å; R404-V408 WeakPolarHBondContact O-CG2 3.4Å; R404-V408 PolarHBondContact O-N 2.78Å; R404-V408 VanDerWaalsContact O-N 3.1Å
405S91.6Very high87.6Confident59 Ų5955 Ų5541%0.41327%0.273SS..Hα-helixtrans-66.6-42178.3-62.90000111.5F402 E403 V408 A409F402-S405 PolarHBondContact O-N 3.22Å; E403-S405 VanDerWaalsContact C-N 3.3Å; E403-S405 PolarHBondContact O-N 3.15Å; S405-V408 PolarHBondContact O-N 2.9Å; S405-A409 VanDerWaalsContact O-CB 3.22Å; S405-A409 WeakPolarHBondContact O-CB 3.15Å; S405-A409 PolarHBondContact O-N 2.8Å
406L90Very high87.5Confident0 Ų055.8 Ų55.80%028%0.277CS..Hα-helixtrans-64.7-41.9175.3-76170.4000111.8F402 E403 V408 A409 S410 I429 L430 T453 L456F402-L406 HydrophobicContact CB-CD1 4.36Å; F402-L406 WeakPolarHBondContact O-CB 3.48Å; F402-L406 WeakPolarHBondContact O-CG 3.45Å; F402-L406 PolarHBondContact O-N 3.49Å; E403-L406 PolarHBondContact O-N 2.82Å; L406-V408 PolarHBondContact O-N 3.12Å; L406-A409 PolarHBondContact O-N 3.38Å; L406-S410 WeakPolarHBondContact O-CA 3.46Å; L406-S410 WeakPolarHBondContact O-CB 3.42Å; L406-S410 PolarHBondContact O-N 2.89Å; L406-I429 HydrophobicContact CD2-CB 3.84Å; L406-I429 HydrophobicContact CD2-CG2 3.63Å; L406-I429 HydrophobicContact CG-CB 4.47Å; L406-I429 HydrophobicContact CG-CG2 3.71Å; L406-L430 HydrophobicContact CD1-CD2 3.87Å; L406-L430 HydrophobicContact CD2-CD2 3.74Å; L406-L430 HydrophobicContact CD2-CG 3.94Å; L406-L430 HydrophobicContact CG-CD2 4.49Å; L406-T453 HydrophobicContact CD1-CG2 4.04Å; L406-L456 HydrophobicContact CB-CB 4.09Å; L406-L456 HydrophobicContact CB-CD1 3.69Å; L406-L456 HydrophobicContact CB-CG 4.43Å; L406-L456 HydrophobicContact CD1-CD1 3.64Å; L406-L456 HydrophobicContact CG-CD1 4.31Å
407L85.5Confident87.3Confident47 Ų4753 Ų5325%0.24627%0.265CS..Hα-helixtrans-59.1-46.6176-76.5169.3000111.8E403 R404 S410 Q411 L456 Y533E403-L407 HydrophobicContact CG-CD1 4.06Å; E403-L407 HydrophobicContact CG-CG 4.44Å; E403-L407 WeakPolarHBondContact O-CB 3.27Å; E403-L407 VanDerWaalsContact O-CG 3.3Å; E403-L407 WeakPolarHBondContact O-CG 3.45Å; E403-L407 PolarHBondContact O-N 3.17Å; R404-L407 PolarHBondContact O-N 2.8Å; L407-S410 PolarHBondContact O-N 2.84Å; L407-Q411 WeakPolarHBondContact O-CG 3.49Å; L407-Q411 PolarHBondContact O-N 3.3Å; L407-Q411 VanDerWaalsContact O-N 3.14Å; L407-L456 HydrophobicContact CD2-CD2 3.42Å; L407-L456 VanDerWaalsContact CD2-CD2 3.42Å; L407-L456 HydrophobicContact CG-CD2 3.69Å; L407-Y533 HydrophobicContact CD2-CD2 4.22Å; L407-Y533 HydrophobicContact CD2-CE2 4.08Å
408V87Confident86.8Confident88 Ų8850.3 Ų50.353%0.53326%0.255SS..Hα-helixtrans-66.8-48.4178.6173.30000111.1R404 S405 L406 S410 Q411 A412R404-V408 WeakPolarHBondContact O-CG2 3.4Å; R404-V408 PolarHBondContact O-N 2.78Å; R404-V408 VanDerWaalsContact O-N 3.1Å; S405-V408 PolarHBondContact O-N 2.9Å; L406-V408 PolarHBondContact O-N 3.12Å; V408-S410 PolarHBondContact O-N 3.09Å; V408-Q411 PolarHBondContact O-N 2.97Å; V408-A412 PolarHBondContact O-N 2.84Å
409A88.8Confident86.5Confident8 Ų856.1 Ų56.17%0.06628%0.282CS..Hα-helixtrans-60.3-38177.700000111.8S405 L406 Q411 A412 D413 H425 I429S405-A409 VanDerWaalsContact O-CB 3.22Å; S405-A409 WeakPolarHBondContact O-CB 3.15Å; S405-A409 PolarHBondContact O-N 2.8Å; L406-A409 PolarHBondContact O-N 3.38Å; A409-Q411 VanDerWaalsContact C-N 3.34Å; A409-Q411 PolarHBondContact O-N 3.06Å; A409-A412 WeakPolarHBondContact O-CB 3.38Å; A409-A412 PolarHBondContact O-N 3.44Å; A409-A412 VanDerWaalsContact O-N 3.17Å; A409-D413 PolarHBondContact O-N 3.42Å; A409-H425 HydrophobicContact CB-CB 3.76Å; A409-I429 HydrophobicContact CB-CD1 3.44Å; A409-I429 VanDerWaalsContact CB-CD1 3.44Å
410S87.6Confident86.1Confident0 Ų064.2 Ų64.20%032%0.324CS..Hα-helixtrans-71.3-29.6-179.2-167.10000112.8L406 L407 V408 A414 C426 L456 P458 A531L406-S410 WeakPolarHBondContact O-CA 3.46Å; L406-S410 WeakPolarHBondContact O-CB 3.42Å; L406-S410 PolarHBondContact O-N 2.89Å; L407-S410 PolarHBondContact O-N 2.84Å; V408-S410 PolarHBondContact O-N 3.09Å; S410-A414 VanDerWaalsContact O-CB 3.23Å; S410-A414 WeakPolarHBondContact O-CB 3.44Å; S410-A414 PolarHBondContact O-N 3.16Å; S410-C426 WeakPolarHBondContact CA-SG 3.2Å; S410-C426 PolarHBondContact N-SG 3.35Å; S410-L456 VanDerWaalsContact CB-O 3.25Å; S410-L456 WeakPolarHBondContact CB-O 3.03Å; S410-L456 PolarHBondContact OG-O 3Å; S410-P458 WeakPolarHBondContact OG-CD 3.37Å; S410-P458 WeakPolarHBondContact OG-CG 3.31Å; S410-A531 WeakPolarHBondContact OG-CB 3.27Å
411Q84.5Confident86Confident81 Ų8164.3 Ų64.338%0.37932%0.318SS..Hα-helixtrans-68.2-38.9169.2-71.4174.62.400111.8L407 V408 A409 K415L407-Q411 WeakPolarHBondContact O-CG 3.49Å; L407-Q411 PolarHBondContact O-N 3.3Å; L407-Q411 VanDerWaalsContact O-N 3.14Å; V408-Q411 PolarHBondContact O-N 2.97Å; A409-Q411 VanDerWaalsContact C-N 3.34Å; A409-Q411 PolarHBondContact O-N 3.06Å; Q411-K415 WeakPolarHBondContact O-CG 3.46Å; Q411-K415 PolarHBondContact O-N 3.26Å
412A85.6Confident85.6Confident35 Ų3567.8 Ų67.829%0.28933%0.333SS..Hα-helixtrans-65.7-48.8175.800000111.2V408 A409 A414 K415 L416 H425V408-A412 PolarHBondContact O-N 2.84Å; A409-A412 WeakPolarHBondContact O-CB 3.38Å; A409-A412 PolarHBondContact O-N 3.44Å; A409-A412 VanDerWaalsContact O-N 3.17Å; A412-A414 VanDerWaalsContact C-N 3.32Å; A412-A414 PolarHBondContact O-N 3.42Å; A412-K415 WeakPolarHBondContact O-CB 3.46Å; A412-K415 PolarHBondContact O-N 3.18Å; A412-K415 VanDerWaalsContact O-N 3.11Å; A412-L416 WeakPolarHBondContact O-CG 3.46Å; A412-L416 PolarHBondContact O-N 3.15Å; A412-H425 VanDerWaalsContact CB-CD2 3.47Å; A412-H425 WeakPolarHBondContact CB-CD2 3.24Å
413D85.9Confident85.2Confident2 Ų268.4 Ų68.41%0.01134%0.339CS..Hα-helixtrans-62.3-37176.9-79.3-16.9000112.4A409 K415 L416 I417 P423 T424 H425 C426 P458A409-D413 PolarHBondContact O-N 3.42Å; D413-K415 VanDerWaalsContact C-N 3.31Å; D413-K415 PolarHBondContact O-N 3.24Å; D413-L416 PolarHBondContact O-N 2.76Å; D413-I417 VanDerWaalsContact O-CG1 3.26Å; D413-I417 WeakPolarHBondContact O-CG1 3.14Å; D413-I417 PolarHBondContact O-N 3.24Å; D413-P423 HydrophobicContact CB-CB 3.75Å; D413-P423 WeakPolarHBondContact OD1-CA 3.18Å; D413-T424 PolarHBondContact OD1-N 3.5Å; D413-H425 WeakPolarHBondContact OD1-CB 3.01Å; D413-H425 IonicContact OD1-CD2 2.82Å; D413-H425 PolarHBondContact OD1-CD2 3.4Å; D413-H425 IonicContact OD1-CG 2.85Å; D413-H425 PolarHBondContact OD1-N 3.2Å; D413-H425 PolarHBondContact OD2-N 3.32Å; D413-C426 WeakPolarHBondContact OD2-CB 3.08Å; D413-C426 PolarHBondContact OD2-N 2.93Å; D413-C426 PolarHBondContact OD2-SG 3.21Å; D413-P458 HydrophobicContact CB-CG 4.02Å
414A80.7Confident85.2Confident14 Ų1471 Ų7112%0.11636%0.357CS..Hα-helixtrans-60.7-39.917400000112.3S410 A412 I417 Q418 P458S410-A414 VanDerWaalsContact O-CB 3.23Å; S410-A414 WeakPolarHBondContact O-CB 3.44Å; S410-A414 PolarHBondContact O-N 3.16Å; A412-A414 VanDerWaalsContact C-N 3.32Å; A412-A414 PolarHBondContact O-N 3.42Å; A414-I417 PolarHBondContact O-N 3.48Å; A414-Q418 WeakPolarHBondContact O-CG 3.46Å; A414-Q418 PolarHBondContact O-N 2.93Å; A414-P458 HydrophobicContact CB-CG 4.44Å
415K83.3Confident85.3Confident117 Ų11765.5 Ų65.551%0.50934%0.339SS..Hα-helixtrans-66.6-40.2174.5-70.5176.4-179.3-179.10112Q411 A412 D413 Q418 Q419Q411-K415 WeakPolarHBondContact O-CG 3.46Å; Q411-K415 PolarHBondContact O-N 3.26Å; A412-K415 WeakPolarHBondContact O-CB 3.46Å; A412-K415 PolarHBondContact O-N 3.18Å; A412-K415 VanDerWaalsContact O-N 3.11Å; D413-K415 VanDerWaalsContact C-N 3.31Å; D413-K415 PolarHBondContact O-N 3.24Å; K415-Q418 WeakPolarHBondContact O-CB 3.23Å; K415-Q418 PolarHBondContact O-N 3.42Å; K415-Q419 WeakPolarHBondContact O-CG 3.31Å; K415-Q419 PolarHBondContact O-N 2.91Å; K415-Q419 VanDerWaalsContact O-N 3.15Å
416L83.9Confident85.3Confident27 Ų2762.7 Ų62.714%0.14132%0.32CS..Hα-helixtrans-61.3-45.6175.8-66.9175.8000111.2A412 D413 Q418 Q419 L420 Q421A412-L416 WeakPolarHBondContact O-CG 3.46Å; A412-L416 PolarHBondContact O-N 3.15Å; D413-L416 PolarHBondContact O-N 2.76Å; L416-Q418 VanDerWaalsContact C-N 3.28Å; L416-Q418 PolarHBondContact O-N 2.9Å; L416-Q419 CarbonylContact O-C 3.51Å; L416-Q419 WeakPolarHBondContact O-CA 3.35Å; L416-Q419 WeakPolarHBondContact O-CB 3.28Å; L416-Q419 PolarHBondContact O-N 3.17Å; L416-L420 PolarHBondContact O-N 3.27Å; L416-Q421 CarbonylContact C-O 3.43Å; L416-Q421 HydrophobicContact CB-CB 4.1Å; L416-Q421 HydrophobicContact CD2-CB 4.23Å; L416-Q421 WeakPolarHBondContact O-CA 3.42Å; L416-Q421 WeakPolarHBondContact O-CB 3.41Å; L416-Q421 PolarHBondContact O-N 3.1Å
417I80.9Confident85.6Confident52 Ų5265.1 Ų65.127%0.26733%0.331SS..Hα-helixtrans-58.7-40.9177.5-68.7163.6000111.1D413 A414 Q419 L420 P423 P458D413-I417 VanDerWaalsContact O-CG1 3.26Å; D413-I417 WeakPolarHBondContact O-CG1 3.14Å; D413-I417 PolarHBondContact O-N 3.24Å; A414-I417 PolarHBondContact O-N 3.48Å; I417-Q419 VanDerWaalsContact C-N 3.26Å; I417-Q419 PolarHBondContact O-N 3.4Å; I417-L420 PolarHBondContact O-N 2.74Å; I417-P423 HydrophobicContact CD1-CB 4.42Å; I417-P423 HydrophobicContact CD1-CG 4.44Å; I417-P423 HydrophobicContact CG1-CB 4.42Å; I417-P423 HydrophobicContact CG1-CG 4.39Å; I417-P458 HydrophobicContact CD1-CB 3.94Å; I417-P458 HydrophobicContact CD1-CG 4.28Å
418Q77.5Confident86.1Confident82 Ų8266.5 Ų66.538%0.38334%0.343SS..Hα-helixtrans-63.3-32175.1-71.7175-3.200112.9A414 K415 L416 L420 G527A414-Q418 WeakPolarHBondContact O-CG 3.46Å; A414-Q418 PolarHBondContact O-N 2.93Å; K415-Q418 WeakPolarHBondContact O-CB 3.23Å; K415-Q418 PolarHBondContact O-N 3.42Å; L416-Q418 VanDerWaalsContact C-N 3.28Å; L416-Q418 PolarHBondContact O-N 2.9Å; Q418-L420 PolarHBondContact O-N 3.33Å; Q418-G527 PolarHBondContact NE2-O 3.33Å
419Q84.1Confident86.5Confident123 Ų12364.1 Ų64.158%0.57533%0.327SS*.THydrogen-bonded Turntrans-82.79.8174.4-65.4177.2-4.500112.9K415 L416 I417 Q421K415-Q419 WeakPolarHBondContact O-CG 3.31Å; K415-Q419 PolarHBondContact O-N 2.91Å; K415-Q419 VanDerWaalsContact O-N 3.15Å; L416-Q419 CarbonylContact O-C 3.51Å; L416-Q419 WeakPolarHBondContact O-CA 3.35Å; L416-Q419 WeakPolarHBondContact O-CB 3.28Å; L416-Q419 PolarHBondContact O-N 3.17Å; I417-Q419 VanDerWaalsContact C-N 3.26Å; I417-Q419 PolarHBondContact O-N 3.4Å; Q419-Q421 HydrophobicContact CB-CG 4.05Å; Q419-Q421 PolarHBondContact O-N 2.89Å
420L83.5Confident86.8Confident171 Ų17163.8 Ų63.890%0.89532%0.324SS*.THydrogen-bonded Turntrans57.427-173.6-54.5173.3000112.9L416 I417 Q418L416-L420 PolarHBondContact O-N 3.27Å; I417-L420 PolarHBondContact O-N 2.74Å; Q418-L420 PolarHBondContact O-N 3.33Å
421Q83.9Confident87.3Confident102 Ų10266.8 Ų66.848%0.47734%0.34SS..PPolyproline II helixtrans-97.4152.5175.9-62.7-175.91.200110.9L416 Q419L416-Q421 CarbonylContact C-O 3.43Å; L416-Q421 HydrophobicContact CB-CB 4.1Å; L416-Q421 HydrophobicContact CD2-CB 4.23Å; L416-Q421 WeakPolarHBondContact O-CA 3.42Å; L416-Q421 WeakPolarHBondContact O-CB 3.41Å; L416-Q421 PolarHBondContact O-N 3.1Å; Q419-Q421 HydrophobicContact CB-CG 4.05Å; Q419-Q421 PolarHBondContact O-N 2.89Å
422K83.6Confident87.9Confident177 Ų17766.3 Ų66.377%0.7734%0.34SS*.PPolyproline II helixtrans-69.4132.5178.1-168.7179.5177.7-1790109.7
423P84.4Confident88.4Confident24 Ų2464.7 Ų64.716%0.15633%0.326CS..PPolyproline II helixtrans-64.3141.5172.127-33.4000110.2D413 I417 S461D413-P423 HydrophobicContact CB-CB 3.75Å; D413-P423 WeakPolarHBondContact OD1-CA 3.18Å; I417-P423 HydrophobicContact CD1-CB 4.42Å; I417-P423 HydrophobicContact CD1-CG 4.44Å; I417-P423 HydrophobicContact CG1-CB 4.42Å; I417-P423 HydrophobicContact CG1-CG 4.39Å; P423-S461 VanDerWaalsContact CG-OG 3.24Å; P423-S461 WeakPolarHBondContact CG-OG 3.23Å
424T88.3Confident88.9Confident83 Ų8364.7 Ų64.751%0.50933%0.326SS..  trans-136-8.9-173.657.70000114.4D413D413-T424 PolarHBondContact OD1-N 3.5Å
425H90.5Very high89.6Confident83 Ų8371.4 Ų71.438%0.38435%0.352SS..SBendtrans-100.1-37-167.5-58-58.2000114.3A409 A412 D413 I429A409-H425 HydrophobicContact CB-CB 3.76Å; A412-H425 VanDerWaalsContact CB-CD2 3.47Å; A412-H425 WeakPolarHBondContact CB-CD2 3.24Å; D413-H425 WeakPolarHBondContact OD1-CB 3.01Å; D413-H425 IonicContact OD1-CD2 2.82Å; D413-H425 PolarHBondContact OD1-CD2 3.4Å; D413-H425 IonicContact OD1-CG 2.85Å; D413-H425 PolarHBondContact OD1-N 3.2Å; D413-H425 PolarHBondContact OD2-N 3.32Å; H425-I429 WeakPolarHBondContact O-CD1 2.85Å
426C92.2Very high90.2Very high1 Ų167.7 Ų67.71%0.00734%0.337CS..Hα-helixtrans-73.8-43-174.1-68.30000113.6S410 D413 I429 L430 V457S410-C426 WeakPolarHBondContact CA-SG 3.2Å; S410-C426 PolarHBondContact N-SG 3.35Å; D413-C426 WeakPolarHBondContact OD2-CB 3.08Å; D413-C426 PolarHBondContact OD2-N 2.93Å; D413-C426 PolarHBondContact OD2-SG 3.21Å; C426-I429 WeakPolarHBondContact O-CB 3.46Å; C426-I429 PolarHBondContact O-N 3.08Å; C426-I429 VanDerWaalsContact O-N 3.14Å; C426-L430 PolarHBondContact O-N 2.66Å; C426-V457 HydrophobicContact CB-CG1 4.1Å; C426-V457 HydrophobicContact CB-CG2 3.93Å
427E95.1Very high90.7Very high50 Ų5066.4 Ų66.423%0.23433%0.33CS..Hα-helixtrans-59.6-45.1-172.2-66.9-163.616200113.8I429 L430 L431 S464 I467E427-I429 VanDerWaalsContact C-N 3.25Å; E427-I429 PolarHBondContact O-N 3.1Å; E427-L430 PolarHBondContact O-N 3.27Å; E427-L431 WeakPolarHBondContact O-CG 3.31Å; E427-L431 PolarHBondContact O-N 3.05Å; E427-S464 WeakPolarHBondContact OE1-CB 3.42Å; E427-S464 PolarHBondContact OE1-N 3.34Å; E427-S464 PolarHBondContact OE1-OG 3.32Å; E427-S464 VanDerWaalsContact OE1-OG 3.06Å; E427-S464 WeakPolarHBondContact OE2-CB 3.26Å; E427-S464 PolarHBondContact OE2-OG 2.93Å; E427-I467 HydrophobicContact CB-CD1 4.04Å; E427-I467 HydrophobicContact CB-CG1 4.3Å; E427-I467 HydrophobicContact CG-CD1 4.24Å; E427-I467 HydrophobicContact CG-CG1 4.04Å
428P96.1Very high91.2Very high77 Ų7766.5 Ų66.550%0.533%0.33SS..Hα-helixtrans-59.3-36.7176.4-24.735.2000113.1N432P428-N432 PolarHBondContact O-N 3.41Å; P428-N432 VanDerWaalsContact O-N 3.13Å
429I96.1Very high91.7Very high38 Ų3869 Ų6920%0.19534%0.34CS..Hα-helixtrans-69.1-44.2178.4-57.6171.6000110F402 L406 A409 H425 C426 E427 N432 A433F402-I429 HydrophobicContact CD1-CG2 3.91Å; L406-I429 HydrophobicContact CD2-CB 3.84Å; L406-I429 HydrophobicContact CD2-CG2 3.63Å; L406-I429 HydrophobicContact CG-CB 4.47Å; L406-I429 HydrophobicContact CG-CG2 3.71Å; A409-I429 HydrophobicContact CB-CD1 3.44Å; A409-I429 VanDerWaalsContact CB-CD1 3.44Å; H425-I429 WeakPolarHBondContact O-CD1 2.85Å; C426-I429 WeakPolarHBondContact O-CB 3.46Å; C426-I429 PolarHBondContact O-N 3.08Å; C426-I429 VanDerWaalsContact O-N 3.14Å; E427-I429 VanDerWaalsContact C-N 3.25Å; E427-I429 PolarHBondContact O-N 3.1Å; I429-N432 PolarHBondContact O-N 3.37Å; I429-A433 WeakPolarHBondContact O-CB 3.26Å; I429-A433 PolarHBondContact O-N 3.01Å
430L96.1Very high91.9Very high0 Ų063.1 Ų63.10%031%0.313CS..Hα-helixtrans-61-45.1175.7-76.6-173.2000112.4L406 C426 E427 N432 A433 Y434 V457 L463 I467L406-L430 HydrophobicContact CD1-CD2 3.87Å; L406-L430 HydrophobicContact CD2-CD2 3.74Å; L406-L430 HydrophobicContact CD2-CG 3.94Å; L406-L430 HydrophobicContact CG-CD2 4.49Å; C426-L430 PolarHBondContact O-N 2.66Å; E427-L430 PolarHBondContact O-N 3.27Å; L430-N432 VanDerWaalsContact C-N 3.31Å; L430-N432 PolarHBondContact O-N 2.62Å; L430-A433 WeakPolarHBondContact O-CB 3.43Å; L430-A433 PolarHBondContact O-N 3.25Å; L430-A433 VanDerWaalsContact O-N 3.17Å; L430-Y434 HydrophobicContact CB-CE2 4.05Å; L430-Y434 HydrophobicContact CD2-CE2 4.48Å; L430-Y434 VanDerWaalsContact O-CD2 3.3Å; L430-Y434 WeakPolarHBondContact O-CD2 3.48Å; L430-Y434 VanDerWaalsContact O-CG 3.3Å; L430-Y434 PolarHBondContact O-N 3.08Å; L430-V457 HydrophobicContact CD1-CG2 3.61Å; L430-V457 HydrophobicContact CD2-CG2 4.38Å; L430-V457 HydrophobicContact CG-CG2 4.13Å; L430-L463 HydrophobicContact CD1-CD2 4.25Å; L430-I467 HydrophobicContact CB-CD1 3.77Å; L430-I467 HydrophobicContact CD1-CD1 4.22Å; L430-I467 HydrophobicContact CD1-CG2 4.4Å
431L97.3Very high91.7Very high64 Ų6456.1 Ų56.134%0.33528%0.277SS..Hα-helixtrans-59.8-42.9177.5-72.1171.9000111.4E427 K435 I467 A470E427-L431 WeakPolarHBondContact O-CG 3.31Å; E427-L431 PolarHBondContact O-N 3.05Å; L431-K435 WeakPolarHBondContact O-CB 3.44Å; L431-K435 PolarHBondContact O-N 3.14Å; L431-I467 HydrophobicContact CD2-CD1 3.82Å; L431-I467 HydrophobicContact CG-CD1 3.69Å; L431-A470 HydrophobicContact CD2-CB 4Å
432N97Very high91.6Very high71 Ų7152 Ų5238%0.3826%0.26SS..Hα-helixtrans-66.9-39.6175.8-167.655.9000112F402 P428 I429 L430 K435 E436F402-N432 HydrophobicContact CE1-CB 4.31Å; F402-N432 WeakPolarHBondContact CE1-ND2 3.43Å; F402-N432 WeakPolarHBondContact CZ-ND2 3.49Å; P428-N432 PolarHBondContact O-N 3.41Å; P428-N432 VanDerWaalsContact O-N 3.13Å; I429-N432 PolarHBondContact O-N 3.37Å; L430-N432 VanDerWaalsContact C-N 3.31Å; L430-N432 PolarHBondContact O-N 2.62Å; N432-K435 PolarHBondContact O-N 3.04Å; N432-E436 PolarHBondContact ND2-OE1 3.35Å; N432-E436 PolarHBondContact O-N 2.94Å; N432-E436 VanDerWaalsContact O-N 3.11Å
433A96.4Very high91.8Very high0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-59.9-47.1176.100000111.7F402 I429 L430 E436 A437 F449F402-A433 HydrophobicContact CB-CB 4.3Å; F402-A433 HydrophobicContact CD1-CB 3.78Å; F402-A433 HydrophobicContact CD2-CB 3.8Å; F402-A433 HydrophobicContact CE1-CB 3.99Å; F402-A433 HydrophobicContact CE2-CB 4.03Å; F402-A433 HydrophobicContact CG-CB 3.68Å; F402-A433 HydrophobicContact CZ-CB 4.12Å; I429-A433 WeakPolarHBondContact O-CB 3.26Å; I429-A433 PolarHBondContact O-N 3.01Å; L430-A433 WeakPolarHBondContact O-CB 3.43Å; L430-A433 PolarHBondContact O-N 3.25Å; L430-A433 VanDerWaalsContact O-N 3.17Å; A433-E436 PolarHBondContact O-N 3.05Å; A433-A437 WeakPolarHBondContact O-CB 3.39Å; A433-A437 PolarHBondContact O-N 2.83Å; A433-F449 HydrophobicContact CB-CE1 4.07Å; A433-F449 HydrophobicContact CB-CZ 4.02Å
434Y97Very high91.8Very high3 Ų343.9 Ų43.91%0.01222%0.223CC..Hα-helixtrans-69.3-34.9179.4-60.1-30.4000113L430 E436 A437 I438 F449 V450 T453 I454 I467 A470 I471 L474L430-Y434 HydrophobicContact CB-CE2 4.05Å; L430-Y434 HydrophobicContact CD2-CE2 4.48Å; L430-Y434 VanDerWaalsContact O-CD2 3.3Å; L430-Y434 WeakPolarHBondContact O-CD2 3.48Å; L430-Y434 VanDerWaalsContact O-CG 3.3Å; L430-Y434 PolarHBondContact O-N 3.08Å; Y434-E436 VanDerWaalsContact C-N 3.3Å; Y434-E436 PolarHBondContact O-N 2.77Å; Y434-A437 PolarHBondContact O-N 3.02Å; Y434-I438 PolarHBondContact O-N 3.01Å; Y434-F449 HydrophobicContact CD1-CD1 4.29Å; Y434-F449 HydrophobicContact CD1-CE1 4.06Å; Y434-F449 HydrophobicContact CE1-CD1 4.37Å; Y434-F449 HydrophobicContact CE1-CE1 4.25Å; Y434-V450 HydrophobicContact CD1-CG2 4.05Å; Y434-V450 HydrophobicContact CE1-CB 4.33Å; Y434-V450 HydrophobicContact CE1-CG2 3.75Å; Y434-T453 VanDerWaalsContact CE1-OG1 3.29Å; Y434-T453 WeakPolarHBondContact CE1-OG1 3.41Å; Y434-T453 PolarHBondContact OH-OG1 2.79Å; Y434-I454 WeakPolarHBondContact OH-CG1 3.35Å; Y434-I467 HydrophobicContact CE2-CG2 4.18Å; Y434-A470 HydrophobicContact CD2-CB 4.22Å; Y434-I471 HydrophobicContact CD2-CG1 4.14Å; Y434-I471 HydrophobicContact CE2-CD1 4.19Å; Y434-I471 HydrophobicContact CE2-CG1 3.79Å; Y434-L474 HydrophobicContact CD1-CD2 4.28Å
435K95.2Very high91.7Very high154 Ų15440.9 Ų40.967%0.6720%0.204SC*.Hα-helixtrans-59.8-40.9172-174.2179.1-180179.70112.2L431 N432L431-K435 WeakPolarHBondContact O-CB 3.44Å; L431-K435 PolarHBondContact O-N 3.14Å; N432-K435 PolarHBondContact O-N 3.04Å
436E94.2Very high91.7Very high40 Ų4036.9 Ų36.919%0.18719%0.185CC..Hα-helixtrans-75.3-33.6175.9-69.1-171.7-146.800112.5L398 K401 F402 N432 A433 Y434 I438 K439L398-E436 HydrophobicContact CD2-CB 3.83Å; K401-E436 IonicContact NZ-OE1 3.57Å; K401-E436 PolarHBondContact NZ-OE1 3.24Å; K401-E436 IonicContact NZ-OE2 3.21Å; K401-E436 PolarHBondContact NZ-OE2 2.79Å; F402-E436 HydrophobicContact CE2-CB 4.35Å; F402-E436 HydrophobicContact CZ-CG 4.4Å; N432-E436 PolarHBondContact ND2-OE1 3.35Å; N432-E436 PolarHBondContact O-N 2.94Å; N432-E436 VanDerWaalsContact O-N 3.11Å; A433-E436 PolarHBondContact O-N 3.05Å; Y434-E436 VanDerWaalsContact C-N 3.3Å; Y434-E436 PolarHBondContact O-N 2.77Å; E436-I438 PolarHBondContact O-N 2.84Å; E436-K439 WeakPolarHBondContact O-CB 3.2Å; E436-K439 PolarHBondContact O-N 2.92Å; E436-K439 VanDerWaalsContact O-N 3.11Å
437A94.2Very high91.5Very high0 Ų037.1 Ų37.10%019%0.186CC..Hα-helixtrans-64.7-18.2178.400000113.9L398 A433 Y434 K439 L440 F449 L474L398-A437 HydrophobicContact CD1-CB 4.11Å; A433-A437 WeakPolarHBondContact O-CB 3.39Å; A433-A437 PolarHBondContact O-N 2.83Å; Y434-A437 PolarHBondContact O-N 3.02Å; A437-K439 PolarHBondContact O-N 3.19Å; A437-L440 HydrophobicContact CB-CD1 3.99Å; A437-L440 HydrophobicContact CB-CG 4.49Å; A437-L440 VanDerWaalsContact O-CB 3.23Å; A437-L440 WeakPolarHBondContact O-CB 3.31Å; A437-L440 VanDerWaalsContact O-CG 3.31Å; A437-L440 WeakPolarHBondContact O-CG 3.34Å; A437-L440 PolarHBondContact O-N 3.21Å; A437-F449 HydrophobicContact CB-CD1 3.59Å; A437-F449 HydrophobicContact CB-CE1 3.65Å; A437-F449 HydrophobicContact CB-CG 4.48Å; A437-L474 HydrophobicContact CB-CD1 4.07Å; A437-L474 HydrophobicContact CB-CD2 4.11Å
438I92.1Very high91.2Very high53 Ų5334.8 Ų34.827%0.27218%0.175SC..THydrogen-bonded Turntrans-53.5-26.3170.2-70172.1000111.5Y434 E436 L440 L474 V477 K481Y434-I438 PolarHBondContact O-N 3.01Å; E436-I438 PolarHBondContact O-N 2.84Å; I438-L440 VanDerWaalsContact C-N 3.3Å; I438-L440 PolarHBondContact O-N 3.17Å; I438-L474 HydrophobicContact CB-CD1 4.36Å; I438-L474 HydrophobicContact CG1-CD1 3.78Å; I438-V477 HydrophobicContact CG2-CG1 4.2Å; I438-K481 PolarHBondContact O-NZ 3.23Å
439K89.2Confident91Very high135 Ų13531.1 Ų31.159%0.58715%0.151SC*.THydrogen-bonded Turntrans-77.2-10.5177.8-62.1-177.9-179.8-175.80114.3I393 E436 A437I393-K439 HydrophobicContact CG2-CB 3.68Å; E436-K439 WeakPolarHBondContact O-CB 3.2Å; E436-K439 PolarHBondContact O-N 2.92Å; E436-K439 VanDerWaalsContact O-N 3.11Å; A437-K439 PolarHBondContact O-N 3.19Å
440L88.4Confident90.8Very high0 Ų029.3 Ų29.30%014%0.142CC..SBendtrans-61.1147.8175.7-68.4173.7000111I393 M395 L398 A437 I438 E445 M446 F449 K481I393-L440 HydrophobicContact CG2-CD2 4.41Å; M395-L440 HydrophobicContact CB-CD2 4.12Å; L398-L440 HydrophobicContact CD1-CD1 4Å; L398-L440 HydrophobicContact CD1-CD2 3.78Å; L398-L440 HydrophobicContact CD1-CG 3.83Å; A437-L440 HydrophobicContact CB-CD1 3.99Å; A437-L440 HydrophobicContact CB-CG 4.49Å; A437-L440 VanDerWaalsContact O-CB 3.23Å; A437-L440 WeakPolarHBondContact O-CB 3.31Å; A437-L440 VanDerWaalsContact O-CG 3.31Å; A437-L440 WeakPolarHBondContact O-CG 3.34Å; A437-L440 PolarHBondContact O-N 3.21Å; I438-L440 VanDerWaalsContact C-N 3.3Å; I438-L440 PolarHBondContact O-N 3.17Å; L440-E445 HydrophobicContact CB-CB 4.34Å; L440-E445 HydrophobicContact CD1-CB 4.31Å; L440-E445 WeakPolarHBondContact CD2-OE2 3.37Å; L440-M446 HydrophobicContact CB-CE 4.22Å; L440-M446 HydrophobicContact CB-CG 3.92Å; L440-M446 HydrophobicContact CD1-CG 4.2Å; L440-M446 WeakPolarHBondContact O-CE 3.33Å; L440-F449 HydrophobicContact CD1-CB 3.98Å; L440-F449 HydrophobicContact CD1-CG 4.26Å; L440-K481 PolarHBondContact O-NZ 2.8Å
441P79.1Confident90.4Very high23 Ų2329.6 Ų29.615%0.14914%0.144CC..SBendtrans-71.9-32.5-170.726.8-35.2000114.1H385 M392 E445H385-P441 HydrophobicContact CB-CB 4.11Å; H385-P441 HydrophobicContact CB-CG 4.18Å; H385-P441 WeakPolarHBondContact ND1-CB 3.23Å; M392-P441 HydrophobicContact CE-CB 3.65Å; P441-E445 WeakPolarHBondContact CD-OE2 3.36Å; P441-E445 HydrophobicContact CG-CG 4.46Å; P441-E445 WeakPolarHBondContact CG-OE2 3.48Å
442S81.9Confident90Very high15 Ų1527 Ų2711%0.10513%0.13CC..SBendtrans-137.5160.4-166.668.10000113.3D444 E445 M446S442-D444 VanDerWaalsContact C-N 3.28Å; S442-D444 PolarHBondContact O-N 3.41Å; S442-E445 PolarHBondContact O-N 2.63Å; S442-E445 PolarHBondContact OG-N 2.73Å; S442-M446 VanDerWaalsContact O-CG 3.31Å; S442-M446 WeakPolarHBondContact O-CG 3.28Å; S442-M446 PolarHBondContact O-N 3.04Å
443L86.7Confident89.7Confident10 Ų1023.7 Ų23.75%0.05211%0.112CC..Hα-helixtrans-61.5-38172.8-179.160.4000111.9M446 F447 F475 I496 L505L443-M446 PolarHBondContact O-N 3.39Å; L443-F447 WeakPolarHBondContact O-CB 3.44Å; L443-F447 PolarHBondContact O-N 3.12Å; L443-F475 HydrophobicContact CD1-CB 3.91Å; L443-F475 HydrophobicContact CD1-CD1 3.98Å; L443-F475 HydrophobicContact CD1-CG 4.15Å; L443-I496 HydrophobicContact CD2-CD1 4.28Å; L443-I496 HydrophobicContact CD2-CG2 4.35Å; L443-I496 HydrophobicContact CG-CD1 3.88Å; L443-L505 HydrophobicContact CD2-CD1 4.33Å
444D84.6Confident89.3Confident21 Ų2124 Ų2411%0.11211%0.114CC..Hα-helixtrans-60.3-49.8179.1-73.2-5.3000110.5S442 M446 F447 L448 G494 L495 I496S442-D444 VanDerWaalsContact C-N 3.28Å; S442-D444 PolarHBondContact O-N 3.41Å; D444-M446 PolarHBondContact O-N 3.31Å; D444-F447 PolarHBondContact O-N 2.92Å; D444-L448 VanDerWaalsContact O-CG 3.23Å; D444-L448 WeakPolarHBondContact O-CG 3.23Å; D444-L448 PolarHBondContact O-N 3.3Å; D444-G494 PolarHBondContact OD2-N 3.44Å; D444-L495 HydrophobicContact CB-CB 4.45Å; D444-L495 HydrophobicContact CB-CD1 4.4Å; D444-L495 PolarHBondContact OD2-N 2.74Å; D444-L495 VanDerWaalsContact OD2-N 3.13Å; D444-I496 PolarHBondContact OD1-N 3.49Å
445E85.9Confident88.6Confident20 Ų2024.2 Ų24.29%0.09312%0.116CC..Hα-helixtrans-63.6-39.2177.5-73.6-167.3-163.100112.8H385 M395 L440 P441 S442 F447 L448 F449H385-E445 IonicContact CD2-OE1 3.15Å; H385-E445 IonicContact NE2-OE1 3.67Å; M395-E445 HydrophobicContact SD-CB 4.4Å; L440-E445 HydrophobicContact CB-CB 4.34Å; L440-E445 HydrophobicContact CD1-CB 4.31Å; L440-E445 WeakPolarHBondContact CD2-OE2 3.37Å; P441-E445 WeakPolarHBondContact CD-OE2 3.36Å; P441-E445 HydrophobicContact CG-CG 4.46Å; P441-E445 WeakPolarHBondContact CG-OE2 3.48Å; S442-E445 PolarHBondContact O-N 2.63Å; S442-E445 PolarHBondContact OG-N 2.73Å; E445-F447 VanDerWaalsContact C-N 3.34Å; E445-F447 PolarHBondContact O-N 2.95Å; E445-L448 PolarHBondContact O-N 2.82Å; E445-F449 VanDerWaalsContact O-CB 3.24Å; E445-F449 WeakPolarHBondContact O-CB 3.31Å; E445-F449 PolarHBondContact O-N 3.17Å
446M90.5Very high88Confident0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-62.6-42.1176-69.2177.5-170.900111.5L440 S442 L443 D444 V450 L474 F475 G478 K481L440-M446 HydrophobicContact CB-CE 4.22Å; L440-M446 HydrophobicContact CB-CG 3.92Å; L440-M446 HydrophobicContact CD1-CG 4.2Å; L440-M446 WeakPolarHBondContact O-CE 3.33Å; S442-M446 VanDerWaalsContact O-CG 3.31Å; S442-M446 WeakPolarHBondContact O-CG 3.28Å; S442-M446 PolarHBondContact O-N 3.04Å; L443-M446 PolarHBondContact O-N 3.39Å; D444-M446 PolarHBondContact O-N 3.31Å; M446-V450 WeakPolarHBondContact O-CB 3.41Å; M446-V450 VanDerWaalsContact O-CG2 3.22Å; M446-V450 WeakPolarHBondContact O-CG2 3.3Å; M446-V450 PolarHBondContact O-N 3.4Å; M446-L474 HydrophobicContact CB-CD1 4.44Å; M446-L474 HydrophobicContact CB-CD2 4.19Å; M446-L474 HydrophobicContact CB-CG 4.04Å; M446-L474 HydrophobicContact CE-CD1 4.28Å; M446-L474 HydrophobicContact CG-CD1 3.91Å; M446-L474 HydrophobicContact CG-CD2 4.49Å; M446-L474 HydrophobicContact CG-CG 4.06Å; M446-L474 HydrophobicContact SD-CD1 3.64Å; M446-L474 HydrophobicContact SD-CG 3.89Å; M446-F475 HydrophobicContact CB-CD1 4.37Å; M446-F475 HydrophobicContact CB-CE1 4.45Å; M446-G478 WeakPolarHBondContact SD-CA 3.35Å; M446-K481 HydrophobicContact CE-CD 4.3Å
447F89.4Confident87.7Confident5 Ų515.3 Ų15.32%0.0228%0.077CC..Hα-helixtrans-66.4-45.6177.2173.9-96.4000112.7L443 D444 E445 F449 V450 T451 F475 I496 L505 I509 L661L443-F447 WeakPolarHBondContact O-CB 3.44Å; L443-F447 PolarHBondContact O-N 3.12Å; D444-F447 PolarHBondContact O-N 2.92Å; E445-F447 VanDerWaalsContact C-N 3.34Å; E445-F447 PolarHBondContact O-N 2.95Å; F447-F449 VanDerWaalsContact C-N 3.31Å; F447-F449 PolarHBondContact O-N 3.33Å; F447-V450 PolarHBondContact O-N 3.07Å; F447-T451 WeakPolarHBondContact O-CB 3.47Å; F447-T451 PolarHBondContact O-N 2.84Å; F447-T451 PolarHBondContact O-OG1 3.12Å; F447-F475 HydrophobicContact CB-CE1 4.17Å; F447-F475 HydrophobicContact CB-CZ 4.34Å; F447-F475 HydrophobicContact CD2-CE2 4.42Å; F447-F475 AromaticContact CD2-CZ 3.93Å; F447-F475 HydrophobicContact CD2-CZ 3.93Å; F447-I496 HydrophobicContact CB-CD1 3.46Å; F447-I496 VanDerWaalsContact CB-CD1 3.46Å; F447-I496 HydrophobicContact CD1-CD1 4.12Å; F447-I496 HydrophobicContact CD1-CG1 4.44Å; F447-I496 HydrophobicContact CD2-CD1 4.12Å; F447-I496 HydrophobicContact CG-CD1 3.64Å; F447-I496 HydrophobicContact CG-CG1 4.39Å; F447-L505 HydrophobicContact CD2-CD2 3.97Å; F447-L505 HydrophobicContact CE2-CD2 3.95Å; F447-I509 HydrophobicContact CD2-CD1 4.19Å; F447-I509 HydrophobicContact CE2-CD1 4.02Å; F447-I509 HydrophobicContact CE2-CG1 4.06Å; F447-L661 HydrophobicContact CE1-CD2 4.35Å; F447-L661 HydrophobicContact CE2-CD2 4Å; F447-L661 HydrophobicContact CZ-CD2 3.65Å
448L87.8Confident87.1Confident2 Ų216 Ų161%0.018%0.081CC..Hα-helixtrans-59-45.6175.9-67.2173.2000110.6L230 Y233 T234 M395 D444 E445 T451 H452 L495 L657L230-L448 HydrophobicContact CD2-CB 4.49Å; L230-L448 HydrophobicContact CD2-CD2 3.17Å; L230-L448 HydrophobicContact CD2-CG 4.39Å; Y233-L448 HydrophobicContact CD2-CD2 4.46Å; Y233-L448 HydrophobicContact CG-CD1 4.36Å; T234-L448 HydrophobicContact CG2-CB 4.08Å; M395-L448 HydrophobicContact CE-CD1 4.1Å; M395-L448 HydrophobicContact SD-CB 3.73Å; M395-L448 HydrophobicContact SD-CD1 4.29Å; D444-L448 VanDerWaalsContact O-CG 3.23Å; D444-L448 WeakPolarHBondContact O-CG 3.23Å; D444-L448 PolarHBondContact O-N 3.3Å; E445-L448 PolarHBondContact O-N 2.82Å; L448-T451 PolarHBondContact O-N 2.98Å; L448-H452 VanDerWaalsContact O-CB 3.27Å; L448-H452 WeakPolarHBondContact O-CB 3.39Å; L448-H452 PolarHBondContact O-N 3.25Å; L448-L495 HydrophobicContact CD1-CD1 4.01Å; L448-L495 HydrophobicContact CD2-CD1 4.21Å; L448-L495 HydrophobicContact CG-CD1 4.38Å; L448-L657 HydrophobicContact CD2-CD1 4.26Å
449F91.8Very high86.5Confident0 Ų014.6 Ų14.60%07%0.074CC..Hα-helixtrans-60.6-51.5177.4-176.4-103.8000112M395 L398 L399 F402 A433 Y434 A437 L440 E445 F447 T451 H452 T453M395-F449 HydrophobicContact CG-CB 4.46Å; M395-F449 HydrophobicContact CG-CD2 4.44Å; L398-F449 HydrophobicContact CB-CD2 4.15Å; L398-F449 HydrophobicContact CB-CE2 3.47Å; L398-F449 VanDerWaalsContact CB-CE2 3.47Å; L398-F449 HydrophobicContact CB-CZ 3.96Å; L398-F449 HydrophobicContact CD1-CE2 4.3Å; L398-F449 HydrophobicContact CD1-CZ 4.36Å; L398-F449 HydrophobicContact CG-CE2 4.49Å; L399-F449 HydrophobicContact CD2-CD2 3.73Å; L399-F449 HydrophobicContact CD2-CE2 3.81Å; L399-F449 HydrophobicContact CG-CD2 4.07Å; L399-F449 HydrophobicContact CG-CE2 4.2Å; F402-F449 HydrophobicContact CD2-CZ 4.3Å; A433-F449 HydrophobicContact CB-CE1 4.07Å; A433-F449 HydrophobicContact CB-CZ 4.02Å; Y434-F449 HydrophobicContact CD1-CD1 4.29Å; Y434-F449 HydrophobicContact CD1-CE1 4.06Å; Y434-F449 HydrophobicContact CE1-CD1 4.37Å; Y434-F449 HydrophobicContact CE1-CE1 4.25Å; A437-F449 HydrophobicContact CB-CD1 3.59Å; A437-F449 HydrophobicContact CB-CE1 3.65Å; A437-F449 HydrophobicContact CB-CG 4.48Å; L440-F449 HydrophobicContact CD1-CB 3.98Å; L440-F449 HydrophobicContact CD1-CG 4.26Å; E445-F449 VanDerWaalsContact O-CB 3.24Å; E445-F449 WeakPolarHBondContact O-CB 3.31Å; E445-F449 PolarHBondContact O-N 3.17Å; F447-F449 VanDerWaalsContact C-N 3.31Å; F447-F449 PolarHBondContact O-N 3.33Å; F449-T451 PolarHBondContact O-N 2.92Å; F449-H452 PolarHBondContact O-N 2.96Å; F449-T453 HydrophobicContact CD1-CG2 4.42Å; F449-T453 HydrophobicContact CD2-CG2 4.26Å; F449-T453 HydrophobicContact CE1-CG2 4.04Å; F449-T453 HydrophobicContact CE2-CG2 3.85Å; F449-T453 HydrophobicContact CZ-CG2 3.75Å; F449-T453 WeakPolarHBondContact O-CG2 3.33Å; F449-T453 PolarHBondContact O-N 3.2Å; F449-T453 PolarHBondContact O-OG1 3.47Å; F449-T453 VanDerWaalsContact O-OG1 3.08Å
450V92.6Very high85.9Confident0 Ų013 Ų130%07%0.069CC..Hα-helixtrans-59.3-47.8178.7170.20000111.4Y434 M446 F447 H452 T453 I454 I471 L474 F475 I509Y434-V450 HydrophobicContact CD1-CG2 4.05Å; Y434-V450 HydrophobicContact CE1-CB 4.33Å; Y434-V450 HydrophobicContact CE1-CG2 3.75Å; M446-V450 WeakPolarHBondContact O-CB 3.41Å; M446-V450 VanDerWaalsContact O-CG2 3.22Å; M446-V450 WeakPolarHBondContact O-CG2 3.3Å; M446-V450 PolarHBondContact O-N 3.4Å; F447-V450 PolarHBondContact O-N 3.07Å; V450-H452 VanDerWaalsContact C-N 3.27Å; V450-H452 PolarHBondContact O-N 2.93Å; V450-T453 PolarHBondContact O-N 2.91Å; V450-T453 PolarHBondContact O-OG1 3.46Å; V450-I454 HydrophobicContact CG1-CD1 3.48Å; V450-I454 VanDerWaalsContact CG1-CD1 3.48Å; V450-I454 HydrophobicContact CG1-CG1 4.15Å; V450-I454 WeakPolarHBondContact O-CB 3.24Å; V450-I454 VanDerWaalsContact O-CG1 3.3Å; V450-I454 WeakPolarHBondContact O-CG1 3.27Å; V450-I454 PolarHBondContact O-N 3.03Å; V450-I471 HydrophobicContact CG1-CD1 4.17Å; V450-I471 HydrophobicContact CG1-CG1 4Å; V450-I471 HydrophobicContact CG1-CG2 4.01Å; V450-L474 HydrophobicContact CG2-CD2 3.47Å; V450-L474 VanDerWaalsContact CG2-CD2 3.47Å; V450-F475 HydrophobicContact CB-CE1 4.21Å; V450-F475 HydrophobicContact CB-CZ 4.09Å; V450-F475 HydrophobicContact CG1-CZ 4.13Å; V450-F475 HydrophobicContact CG2-CE1 3.88Å; V450-F475 HydrophobicContact CG2-CZ 4.16Å; V450-I509 HydrophobicContact CG1-CD1 3.89Å
451T87.5Confident85.7Confident6 Ų613.2 Ų13.24%0.0377%0.07CC..Hα-helixtrans-62.8-39-177.8-52.10000110.7L230 F447 L448 F449 S455L230-T451 HydrophobicContact CD1-CG2 3.56Å; F447-T451 WeakPolarHBondContact O-CB 3.47Å; F447-T451 PolarHBondContact O-N 2.84Å; F447-T451 PolarHBondContact O-OG1 3.12Å; L448-T451 PolarHBondContact O-N 2.98Å; F449-T451 PolarHBondContact O-N 2.92Å; T451-S455 WeakPolarHBondContact O-CB 3.33Å; T451-S455 PolarHBondContact O-N 2.9Å; T451-S455 PolarHBondContact O-OG 3Å
452H87.7Confident85.9Confident10 Ų1016.9 Ų16.95%0.0469%0.094CC..Hα-helixtrans-66.8-49.5175.5-171.297.8000112.3L399 E403 L448 F449 V450 S455 Y533L399-H452 HydrophobicContact CD2-CB 4.33Å; L399-H452 WeakPolarHBondContact CD2-CD2 3.45Å; E403-H452 IonicContact OE2-NE2 3.23Å; L448-H452 VanDerWaalsContact O-CB 3.27Å; L448-H452 WeakPolarHBondContact O-CB 3.39Å; L448-H452 PolarHBondContact O-N 3.25Å; F449-H452 PolarHBondContact O-N 2.96Å; V450-H452 VanDerWaalsContact C-N 3.27Å; V450-H452 PolarHBondContact O-N 2.93Å; H452-S455 WeakPolarHBondContact O-CB 3.03Å; H452-S455 PolarHBondContact O-N 3.4Å; H452-Y533 PolarHBondContact CD2-OH 3.26Å; H452-Y533 VanDerWaalsContact CD2-OH 3.23Å; H452-Y533 AromaticContact CE1-CE1 3.98Å; H452-Y533 AromaticContact CE1-CZ 3.95Å; H452-Y533 PolarHBondContact CE1-OH 2.76Å; H452-Y533 AromaticContact NE2-CZ 3.66Å; H452-Y533 PolarHBondContact NE2-OH 3.03Å
453T90.6Very high86.3Confident1 Ų117.1 Ų17.11%0.0069%0.094CC..Hα-helixtrans-73-32.8-176.155.50000113.7L399 L406 Y434 F449 V450 S455 L456L399-T453 HydrophobicContact CD2-CG2 4.37Å; L406-T453 HydrophobicContact CD1-CG2 4.04Å; Y434-T453 VanDerWaalsContact CE1-OG1 3.29Å; Y434-T453 WeakPolarHBondContact CE1-OG1 3.41Å; Y434-T453 PolarHBondContact OH-OG1 2.79Å; F449-T453 HydrophobicContact CD1-CG2 4.42Å; F449-T453 HydrophobicContact CD2-CG2 4.26Å; F449-T453 HydrophobicContact CE1-CG2 4.04Å; F449-T453 HydrophobicContact CE2-CG2 3.85Å; F449-T453 HydrophobicContact CZ-CG2 3.75Å; F449-T453 WeakPolarHBondContact O-CG2 3.33Å; F449-T453 PolarHBondContact O-N 3.2Å; F449-T453 PolarHBondContact O-OG1 3.47Å; F449-T453 VanDerWaalsContact O-OG1 3.08Å; V450-T453 PolarHBondContact O-N 2.91Å; V450-T453 PolarHBondContact O-OG1 3.46Å; T453-S455 PolarHBondContact O-N 2.95Å; T453-L456 WeakPolarHBondContact O-CB 3.39Å; T453-L456 PolarHBondContact O-N 3.46Å
454I88.2Confident86.6Confident5 Ų518.4 Ų18.43%0.02610%0.104CC..Hα-helixtrans-64.8-36.3173-71.1177000110.6Y434 V450 L456 V457 L463 W468 I471 I509 R513Y434-I454 WeakPolarHBondContact OH-CG1 3.35Å; V450-I454 HydrophobicContact CG1-CD1 3.48Å; V450-I454 VanDerWaalsContact CG1-CD1 3.48Å; V450-I454 HydrophobicContact CG1-CG1 4.15Å; V450-I454 WeakPolarHBondContact O-CB 3.24Å; V450-I454 VanDerWaalsContact O-CG1 3.3Å; V450-I454 WeakPolarHBondContact O-CG1 3.27Å; V450-I454 PolarHBondContact O-N 3.03Å; I454-L456 PolarHBondContact O-N 3.49Å; I454-L456 VanDerWaalsContact O-N 3.13Å; I454-V457 PolarHBondContact O-N 3.47Å; I454-V457 VanDerWaalsContact O-N 3.1Å; I454-L463 HydrophobicContact CG2-CD1 4.19Å; I454-W468 HydrophobicContact CD1-CZ3 4.33Å; I454-I471 HydrophobicContact CD1-CD1 3.55Å; I454-I509 HydrophobicContact CD1-CG2 3.6Å; I454-R513 PolarHBondContact O-NH1 3.47Å
455S82.5Confident87.1Confident8 Ų822.5 Ų22.56%0.05612%0.122CC..THydrogen-bonded Turntrans-66.1-12.8-179.3-67.20000113.7T451 H452 T453 R516T451-S455 WeakPolarHBondContact O-CB 3.33Å; T451-S455 PolarHBondContact O-N 2.9Å; T451-S455 PolarHBondContact O-OG 3Å; H452-S455 WeakPolarHBondContact O-CB 3.03Å; H452-S455 PolarHBondContact O-N 3.4Å; T453-S455 PolarHBondContact O-N 2.95Å; S455-R516 PolarHBondContact O-NH1 2.91Å; S455-R516 VanDerWaalsContact O-NH1 3.15Å
456L84Confident87.5Confident3 Ų324.3 Ų24.32%0.01614%0.137CC..THydrogen-bonded Turntrans-81-23.3172.9-76.2168.4000114.8E403 L406 L407 S410 T453 I454 Y533E403-L456 HydrophobicContact CB-CD1 4.31Å; E403-L456 HydrophobicContact CG-CD1 3.99Å; E403-L456 HydrophobicContact CG-CD2 4.43Å; L406-L456 HydrophobicContact CB-CB 4.09Å; L406-L456 HydrophobicContact CB-CD1 3.69Å; L406-L456 HydrophobicContact CB-CG 4.43Å; L406-L456 HydrophobicContact CD1-CD1 3.64Å; L406-L456 HydrophobicContact CG-CD1 4.31Å; L407-L456 HydrophobicContact CD2-CD2 3.42Å; L407-L456 VanDerWaalsContact CD2-CD2 3.42Å; L407-L456 HydrophobicContact CG-CD2 3.69Å; S410-L456 VanDerWaalsContact CB-O 3.25Å; S410-L456 WeakPolarHBondContact CB-O 3.03Å; S410-L456 PolarHBondContact OG-O 3Å; T453-L456 WeakPolarHBondContact O-CB 3.39Å; T453-L456 PolarHBondContact O-N 3.46Å; I454-L456 PolarHBondContact O-N 3.49Å; I454-L456 VanDerWaalsContact O-N 3.13Å; L456-Y533 VanDerWaalsContact CD1-OH 3.25Å; L456-Y533 WeakPolarHBondContact CD1-OH 3.44Å; L456-Y533 HydrophobicContact CD2-CD2 3.87Å; L456-Y533 HydrophobicContact CD2-CE1 4.08Å; L456-Y533 HydrophobicContact CD2-CE2 3.01Å; L456-Y533 WeakPolarHBondContact CD2-OH 3.35Å; L456-Y533 HydrophobicContact CG-CE1 4.18Å; L456-Y533 HydrophobicContact CG-CE2 3.93Å; L456-Y533 VanDerWaalsContact CG-CZ 3.48Å; L456-Y533 WeakPolarHBondContact CG-OH 3.4Å
457V86.4Confident87.8Confident5 Ų524.3 Ų24.33%0.0314%0.137CC..SBendtrans-82.2144.5-174.8177.90000110.5C426 L430 I454 I459 L463 R513C426-V457 HydrophobicContact CB-CG1 4.1Å; C426-V457 HydrophobicContact CB-CG2 3.93Å; L430-V457 HydrophobicContact CD1-CG2 3.61Å; L430-V457 HydrophobicContact CD2-CG2 4.38Å; L430-V457 HydrophobicContact CG-CG2 4.13Å; I454-V457 PolarHBondContact O-N 3.47Å; I454-V457 VanDerWaalsContact O-N 3.1Å; V457-I459 PolarHBondContact O-N 3.49Å; V457-L463 HydrophobicContact CG1-CD2 4.04Å; V457-R513 PolarHBondContact O-NH1 2.97Å; V457-R513 PolarHBondContact O-NH2 2.7Å
458P82.3Confident88.1Confident14 Ų1425 Ų259%0.09114%0.14CC..  trans-55.7128.5-175.1-20.533.2000110.3S410 D413 A414 I417 H460 S461 R513S410-P458 WeakPolarHBondContact OG-CD 3.37Å; S410-P458 WeakPolarHBondContact OG-CG 3.31Å; D413-P458 HydrophobicContact CB-CG 4.02Å; A414-P458 HydrophobicContact CB-CG 4.44Å; I417-P458 HydrophobicContact CD1-CB 3.94Å; I417-P458 HydrophobicContact CD1-CG 4.28Å; P458-H460 PolarHBondContact O-N 3.37Å; P458-H460 VanDerWaalsContact O-N 3.07Å; P458-S461 WeakPolarHBondContact O-CB 3.16Å; P458-S461 PolarHBondContact O-N 3.24Å; P458-R513 VanDerWaalsContact C-NH2 3.34Å; P458-R513 PolarHBondContact O-NH2 3.23Å
459I78.6Confident88.5Confident23 Ų2327.8 Ų27.812%0.11816%0.159CC..THydrogen-bonded Turntrans-57.9-33.9-166.4-163.166.5000113.2V457 R513 R516 A517 Y522V457-I459 PolarHBondContact O-N 3.49Å; I459-R513 HydrophobicContact CD1-CG 3.52Å; I459-R513 WeakPolarHBondContact CD1-O 3.44Å; I459-R516 HydrophobicContact CD1-CB 4Å; I459-R516 HydrophobicContact CD1-CG 3.94Å; I459-R516 HydrophobicContact CG1-CG 4.37Å; I459-A517 HydrophobicContact CG1-CB 3.76Å; I459-Y522 HydrophobicContact CB-CD1 4.14Å; I459-Y522 HydrophobicContact CG2-CD1 3.55Å; I459-Y522 HydrophobicContact CG2-CE1 4.43Å; I459-Y522 HydrophobicContact CG2-CG 3.94Å
460H78.5Confident88.7Confident102 Ų10228.7 Ų28.747%0.47217%0.166SC..THydrogen-bonded Turntrans-84.9-3.7178.7-59-50.9000114.4P458 P462 Y522P458-H460 PolarHBondContact O-N 3.37Å; P458-H460 VanDerWaalsContact O-N 3.07Å; H460-P462 VanDerWaalsContact O-CD 3.3Å; H460-P462 WeakPolarHBondContact O-CD 3.43Å; H460-Y522 PolarHBondContact NE2-O 3.3Å
461S82.7Confident88.9Confident5 Ų528.7 Ų28.74%0.03517%0.166CC..SBendtrans-70.6117.4172.3-175.20000109.2P423 P458 L463P423-S461 VanDerWaalsContact CG-OG 3.24Å; P423-S461 WeakPolarHBondContact CG-OG 3.23Å; P458-S461 WeakPolarHBondContact O-CB 3.16Å; P458-S461 PolarHBondContact O-N 3.24Å; S461-L463 PolarHBondContact O-N 2.83Å
462P83.4Confident89.3Confident100 Ų10031.6 Ų31.665%0.64918%0.177SC*.PPolyproline II helixtrans-65.5127.5171.228.2-32.4000108.7H460H460-P462 VanDerWaalsContact O-CD 3.3Å; H460-P462 WeakPolarHBondContact O-CD 3.43Å
463L90.3Very high89.6Confident20 Ų2036.6 Ų36.611%0.10520%0.2CC..PPolyproline II helixtrans-86.1127.3173.6-68.1176.7000109.2L430 I454 V457 S461 I467 W468L430-L463 HydrophobicContact CD1-CD2 4.25Å; I454-L463 HydrophobicContact CG2-CD1 4.19Å; V457-L463 HydrophobicContact CG1-CD2 4.04Å; S461-L463 PolarHBondContact O-N 2.83Å; L463-I467 HydrophobicContact CB-CB 4.48Å; L463-I467 HydrophobicContact CB-CG2 4.39Å; L463-I467 HydrophobicContact CD1-CG2 4.29Å; L463-I467 HydrophobicContact CD2-CG2 4.39Å; L463-W468 HydrophobicContact CB-CZ2 3.93Å; L463-W468 HydrophobicContact CD1-CH2 3.98Å; L463-W468 HydrophobicContact CD1-CZ2 3.68Å; L463-W468 HydrophobicContact CG-CZ2 4.37Å; L463-W468 PolarHBondContact O-NE1 3.36Å; L463-W468 VanDerWaalsContact O-NE1 3.15Å
464S93.2Very high89.8Confident37 Ų3736.6 Ų36.626%0.25920%0.2SC..PPolyproline II helixtrans-65.5160179.363.20000112.8E427 S466 I467 W468E427-S464 WeakPolarHBondContact OE1-CB 3.42Å; E427-S464 PolarHBondContact OE1-N 3.34Å; E427-S464 PolarHBondContact OE1-OG 3.32Å; E427-S464 VanDerWaalsContact OE1-OG 3.06Å; E427-S464 WeakPolarHBondContact OE2-CB 3.26Å; E427-S464 PolarHBondContact OE2-OG 2.93Å; S464-S466 PolarHBondContact O-N 3.11Å; S464-S466 PolarHBondContact OG-OG 3.16Å; S464-I467 WeakPolarHBondContact O-CB 3.37Å; S464-I467 PolarHBondContact O-N 3.01Å; S464-I467 VanDerWaalsContact O-N 3.12Å; S464-W468 VanDerWaalsContact O-CD1 3.28Å; S464-W468 PolarHBondContact O-N 3.16Å
465E94.7Very high90.1Very high107 Ų10736.3 Ų36.350%0.520%0.199SC..Hα-helixtrans-65.5-21.5-179.7-165.256.8-154.400112.7W468 S469 R472E465-W468 PolarHBondContact O-N 3Å; E465-S469 VanDerWaalsContact O-CB 3.26Å; E465-S469 WeakPolarHBondContact O-CB 3.42Å; E465-S469 PolarHBondContact O-N 2.8Å; E465-R472 IonicContact OE1-CZ 2.71Å; E465-R472 VanDerWaalsContact OE1-CZ 3.23Å; E465-R472 IonicContact OE1-NH1 3.62Å; E465-R472 PolarHBondContact OE1-NH1 2.78Å; E465-R472 IonicContact OE1-NH2 3.77Å; E465-R472 PolarHBondContact OE1-NH2 2.73Å
466S95.4Very high90.6Very high57 Ų5739.7 Ų39.740%0.39922%0.219SC..Hα-helixtrans-64.1-40.4173.2610000111.6S464 S469 A470S464-S466 PolarHBondContact O-N 3.11Å; S464-S466 PolarHBondContact OG-OG 3.16Å; S466-S469 PolarHBondContact O-N 3.13Å; S466-A470 WeakPolarHBondContact O-CB 3.45Å; S466-A470 PolarHBondContact O-N 3.46Å
467I95.9Very high90.9Very high0 Ų041.4 Ų41.40%023%0.23CC..Hα-helixtrans-63-48.7174.6-62.8-68.5000110.3E427 L430 L431 Y434 L463 S464 S469 A470 I471E427-I467 HydrophobicContact CB-CD1 4.04Å; E427-I467 HydrophobicContact CB-CG1 4.3Å; E427-I467 HydrophobicContact CG-CD1 4.24Å; E427-I467 HydrophobicContact CG-CG1 4.04Å; L430-I467 HydrophobicContact CB-CD1 3.77Å; L430-I467 HydrophobicContact CD1-CD1 4.22Å; L430-I467 HydrophobicContact CD1-CG2 4.4Å; L431-I467 HydrophobicContact CD2-CD1 3.82Å; L431-I467 HydrophobicContact CG-CD1 3.69Å; Y434-I467 HydrophobicContact CE2-CG2 4.18Å; L463-I467 HydrophobicContact CB-CB 4.48Å; L463-I467 HydrophobicContact CB-CG2 4.39Å; L463-I467 HydrophobicContact CD1-CG2 4.29Å; L463-I467 HydrophobicContact CD2-CG2 4.39Å; S464-I467 WeakPolarHBondContact O-CB 3.37Å; S464-I467 PolarHBondContact O-N 3.01Å; S464-I467 VanDerWaalsContact O-N 3.12Å; I467-S469 VanDerWaalsContact C-N 3.29Å; I467-S469 PolarHBondContact O-N 3.26Å; I467-A470 PolarHBondContact O-N 2.59Å; I467-I471 HydrophobicContact CG2-CD1 3.94Å; I467-I471 WeakPolarHBondContact O-CD1 3.48Å; I467-I471 WeakPolarHBondContact O-CG1 3.47Å; I467-I471 PolarHBondContact O-N 2.83Å
468W95.7Very high91Very high21 Ų2141.2 Ų41.28%0.0823%0.228CC..Hα-helixtrans-64.4-34.4178.5-63118.2000112.8I454 L463 S464 E465 I471 R472 V506 I509 K510I454-W468 HydrophobicContact CD1-CZ3 4.33Å; L463-W468 HydrophobicContact CB-CZ2 3.93Å; L463-W468 HydrophobicContact CD1-CH2 3.98Å; L463-W468 HydrophobicContact CD1-CZ2 3.68Å; L463-W468 HydrophobicContact CG-CZ2 4.37Å; L463-W468 PolarHBondContact O-NE1 3.36Å; L463-W468 VanDerWaalsContact O-NE1 3.15Å; S464-W468 VanDerWaalsContact O-CD1 3.28Å; S464-W468 PolarHBondContact O-N 3.16Å; E465-W468 PolarHBondContact O-N 3Å; W468-I471 HydrophobicContact CE3-CD1 3.66Å; W468-I471 HydrophobicContact CZ3-CD1 3.88Å; W468-I471 PolarHBondContact O-N 3.18Å; W468-R472 WeakPolarHBondContact O-CG 3.22Å; W468-R472 PolarHBondContact O-N 3.34Å; W468-V506 HydrophobicContact CE3-CG1 3.98Å; W468-V506 HydrophobicContact CZ3-CG1 4.45Å; W468-I509 HydrophobicContact CH2-CG2 4.38Å; W468-I509 HydrophobicContact CZ3-CG2 4.12Å; W468-K510 HydrophobicContact CD2-CD 4.45Å; W468-K510 HydrophobicContact CD2-CG 4.36Å; W468-K510 VanDerWaalsContact CE2-CE 3.45Å; W468-K510 HydrophobicContact CE3-CD 4.44Å; W468-K510 HydrophobicContact CE3-CG 4.08Å; W468-K510 HydrophobicContact CH2-CB 4.45Å; W468-K510 HydrophobicContact CH2-CD 4.44Å; W468-K510 HydrophobicContact CH2-CG 3.41Å; W468-K510 VanDerWaalsContact CH2-CG 3.41Å; W468-K510 HydrophobicContact CZ2-CD 4.42Å; W468-K510 HydrophobicContact CZ2-CG 3.72Å; W468-K510 HydrophobicContact CZ3-CD 4.44Å; W468-K510 HydrophobicContact CZ3-CG 3.61Å
469S95.9Very high91.1Very high60 Ų6044.2 Ų44.242%0.4224%0.238SC..Hα-helixtrans-66.4-44.3173.9-163.50000111.9E465 S466 I467 I471 R472 E473E465-S469 VanDerWaalsContact O-CB 3.26Å; E465-S469 WeakPolarHBondContact O-CB 3.42Å; E465-S469 PolarHBondContact O-N 2.8Å; S466-S469 PolarHBondContact O-N 3.13Å; I467-S469 VanDerWaalsContact C-N 3.29Å; I467-S469 PolarHBondContact O-N 3.26Å; S469-I471 VanDerWaalsContact C-N 3.3Å; S469-I471 PolarHBondContact O-N 3.21Å; S469-R472 PolarHBondContact O-N 3.35Å; S469-E473 PolarHBondContact O-N 3.04Å
470A96.3Very high91.4Very high18 Ų1845.8 Ų45.815%0.14925%0.251CS..Hα-helixtrans-61.4-38.5176.600000112L431 Y434 S466 I467 E473 L474L431-A470 HydrophobicContact CD2-CB 4Å; Y434-A470 HydrophobicContact CD2-CB 4.22Å; S466-A470 WeakPolarHBondContact O-CB 3.45Å; S466-A470 PolarHBondContact O-N 3.46Å; I467-A470 PolarHBondContact O-N 2.59Å; A470-E473 PolarHBondContact O-N 2.78Å; A470-L474 VanDerWaalsContact O-CB 3.29Å; A470-L474 WeakPolarHBondContact O-CB 3.45Å; A470-L474 PolarHBondContact O-N 2.91Å
471I96.2Very high91.4Very high0 Ų043.3 Ų43.30%024%0.239CC..Hα-helixtrans-65.5-43.9175.3-65.1158.8000111.1Y434 V450 I454 I467 W468 S469 L474 F475 V506Y434-I471 HydrophobicContact CD2-CG1 4.14Å; Y434-I471 HydrophobicContact CE2-CD1 4.19Å; Y434-I471 HydrophobicContact CE2-CG1 3.79Å; V450-I471 HydrophobicContact CG1-CD1 4.17Å; V450-I471 HydrophobicContact CG1-CG1 4Å; V450-I471 HydrophobicContact CG1-CG2 4.01Å; I454-I471 HydrophobicContact CD1-CD1 3.55Å; I467-I471 HydrophobicContact CG2-CD1 3.94Å; I467-I471 WeakPolarHBondContact O-CD1 3.48Å; I467-I471 WeakPolarHBondContact O-CG1 3.47Å; I467-I471 PolarHBondContact O-N 2.83Å; W468-I471 HydrophobicContact CE3-CD1 3.66Å; W468-I471 HydrophobicContact CZ3-CD1 3.88Å; W468-I471 PolarHBondContact O-N 3.18Å; S469-I471 VanDerWaalsContact C-N 3.3Å; S469-I471 PolarHBondContact O-N 3.21Å; I471-L474 PolarHBondContact O-N 2.75Å; I471-F475 HydrophobicContact CG2-CD2 3.94Å; I471-F475 HydrophobicContact CG2-CE1 4.38Å; I471-F475 HydrophobicContact CG2-CE2 3.54Å; I471-F475 HydrophobicContact CG2-CZ 3.79Å; I471-F475 WeakPolarHBondContact O-CG 3.33Å; I471-F475 PolarHBondContact O-N 2.72Å; I471-V506 HydrophobicContact CG2-CG2 4.03Å
472R95.8Very high90.8Very high68 Ų6845 Ų4526%0.25725%0.249SC..Hα-helixtrans-61.7-43.7176.7-77.7-176.2-61.9-106-4111.9E465 W468 S469 F475 T476 V506E465-R472 IonicContact OE1-CZ 2.71Å; E465-R472 VanDerWaalsContact OE1-CZ 3.23Å; E465-R472 IonicContact OE1-NH1 3.62Å; E465-R472 PolarHBondContact OE1-NH1 2.78Å; E465-R472 IonicContact OE1-NH2 3.77Å; E465-R472 PolarHBondContact OE1-NH2 2.73Å; W468-R472 WeakPolarHBondContact O-CG 3.22Å; W468-R472 PolarHBondContact O-N 3.34Å; S469-R472 PolarHBondContact O-N 3.35Å; R472-F475 PolarHBondContact O-N 3.14Å; R472-T476 WeakPolarHBondContact O-CB 3.23Å; R472-T476 PolarHBondContact O-N 3.36Å; R472-T476 PolarHBondContact O-OG1 3.42Å; R472-V506 HydrophobicContact CG-CG2 3.8Å
473E95.1Very high89.8Confident114 Ų11442.8 Ų42.853%0.53324%0.239SC..Hα-helixtrans-60.1-49175-176-177.1172.800110.7S469 A470 F475 T476 V477S469-E473 PolarHBondContact O-N 3.04Å; A470-E473 PolarHBondContact O-N 2.78Å; E473-F475 PolarHBondContact O-N 3.23Å; E473-T476 WeakPolarHBondContact O-CB 3.38Å; E473-T476 PolarHBondContact O-N 2.9Å; E473-T476 VanDerWaalsContact O-N 3.1Å; E473-V477 WeakPolarHBondContact O-CG2 3.39Å; E473-V477 PolarHBondContact O-N 3.34Å
474L94.9Very high88.1Confident1 Ų148 Ų481%0.00526%0.263CS..Hα-helixtrans-56.2-49.1178.7-177.165.7000111.7Y434 A437 I438 M446 V450 A470 I471 T476 V477 G478Y434-L474 HydrophobicContact CD1-CD2 4.28Å; A437-L474 HydrophobicContact CB-CD1 4.07Å; A437-L474 HydrophobicContact CB-CD2 4.11Å; I438-L474 HydrophobicContact CB-CD1 4.36Å; I438-L474 HydrophobicContact CG1-CD1 3.78Å; M446-L474 HydrophobicContact CB-CD1 4.44Å; M446-L474 HydrophobicContact CB-CD2 4.19Å; M446-L474 HydrophobicContact CB-CG 4.04Å; M446-L474 HydrophobicContact CE-CD1 4.28Å; M446-L474 HydrophobicContact CG-CD1 3.91Å; M446-L474 HydrophobicContact CG-CD2 4.49Å; M446-L474 HydrophobicContact CG-CG 4.06Å; M446-L474 HydrophobicContact SD-CD1 3.64Å; M446-L474 HydrophobicContact SD-CG 3.89Å; V450-L474 HydrophobicContact CG2-CD2 3.47Å; V450-L474 VanDerWaalsContact CG2-CD2 3.47Å; A470-L474 VanDerWaalsContact O-CB 3.29Å; A470-L474 WeakPolarHBondContact O-CB 3.45Å; A470-L474 PolarHBondContact O-N 2.91Å; I471-L474 PolarHBondContact O-N 2.75Å; L474-T476 VanDerWaalsContact C-N 3.31Å; L474-T476 PolarHBondContact O-N 2.85Å; L474-V477 PolarHBondContact O-N 2.97Å; L474-G478 PolarHBondContact O-N 3.39Å
475F93.9Very high86.3Confident0 Ų049 Ų490%027%0.268CS..Hα-helixtrans-69.6-28.1178.7-63.5-17.9000113.4L443 M446 F447 V450 I471 R472 E473 G478 R479 L502 L505 V506 I509L443-F475 HydrophobicContact CD1-CB 3.91Å; L443-F475 HydrophobicContact CD1-CD1 3.98Å; L443-F475 HydrophobicContact CD1-CG 4.15Å; M446-F475 HydrophobicContact CB-CD1 4.37Å; M446-F475 HydrophobicContact CB-CE1 4.45Å; F447-F475 HydrophobicContact CB-CE1 4.17Å; F447-F475 HydrophobicContact CB-CZ 4.34Å; F447-F475 HydrophobicContact CD2-CE2 4.42Å; F447-F475 AromaticContact CD2-CZ 3.93Å; F447-F475 HydrophobicContact CD2-CZ 3.93Å; V450-F475 HydrophobicContact CB-CE1 4.21Å; V450-F475 HydrophobicContact CB-CZ 4.09Å; V450-F475 HydrophobicContact CG1-CZ 4.13Å; V450-F475 HydrophobicContact CG2-CE1 3.88Å; V450-F475 HydrophobicContact CG2-CZ 4.16Å; I471-F475 HydrophobicContact CG2-CD2 3.94Å; I471-F475 HydrophobicContact CG2-CE1 4.38Å; I471-F475 HydrophobicContact CG2-CE2 3.54Å; I471-F475 HydrophobicContact CG2-CZ 3.79Å; I471-F475 WeakPolarHBondContact O-CG 3.33Å; I471-F475 PolarHBondContact O-N 2.72Å; R472-F475 PolarHBondContact O-N 3.14Å; E473-F475 PolarHBondContact O-N 3.23Å; F475-G478 PolarHBondContact O-N 2.95Å; F475-R479 WeakPolarHBondContact O-CB 3.41Å; F475-R479 PolarHBondContact O-N 3.49Å; F475-L502 HydrophobicContact CB-CD2 3.85Å; F475-L505 HydrophobicContact CD2-CB 4.09Å; F475-L505 HydrophobicContact CD2-CD1 4.49Å; F475-L505 HydrophobicContact CE2-CB 4.09Å; F475-V506 HydrophobicContact CD2-CG2 3.96Å; F475-V506 HydrophobicContact CE2-CG2 4.13Å; F475-I509 HydrophobicContact CE2-CD1 3.74Å; F475-I509 HydrophobicContact CZ-CD1 3.69Å
476T92.8Very high84.4Confident78 Ų7847 Ų4748%0.47927%0.265SS..Hα-helixtrans-64.3-46.6172.5-58.10000110.6R472 E473 L474 R479 S480R472-T476 WeakPolarHBondContact O-CB 3.23Å; R472-T476 PolarHBondContact O-N 3.36Å; R472-T476 PolarHBondContact O-OG1 3.42Å; E473-T476 WeakPolarHBondContact O-CB 3.38Å; E473-T476 PolarHBondContact O-N 2.9Å; E473-T476 VanDerWaalsContact O-N 3.1Å; L474-T476 VanDerWaalsContact C-N 3.31Å; L474-T476 PolarHBondContact O-N 2.85Å; T476-R479 PolarHBondContact O-N 3.43Å; T476-S480 PolarHBondContact O-N 3.22Å; T476-S480 VanDerWaalsContact O-N 3.1Å
477V90.6Very high82.2Confident40 Ų4051.1 Ų51.124%0.24228%0.282CS..Hα-helixtrans-64-42.3174.3176.70000111.4I438 E473 L474 R479 S480 K481I438-V477 HydrophobicContact CG2-CG1 4.2Å; E473-V477 WeakPolarHBondContact O-CG2 3.39Å; E473-V477 PolarHBondContact O-N 3.34Å; L474-V477 PolarHBondContact O-N 2.97Å; V477-R479 VanDerWaalsContact C-N 3.31Å; V477-R479 PolarHBondContact O-N 3.3Å; V477-S480 PolarHBondContact O-N 3.44Å; V477-S480 PolarHBondContact O-OG 2.88Å; V477-K481 WeakPolarHBondContact O-CG 3.35Å; V477-K481 PolarHBondContact O-N 3.33Å; V477-K481 VanDerWaalsContact O-N 3.1Å
478G88.3Confident79.6Confident0 Ų059 Ų590%032%0.318CS..Hα-helixtrans-59.7-41.2176.500000112.6M446 L474 F475 T482M446-G478 WeakPolarHBondContact SD-CA 3.35Å; L474-G478 PolarHBondContact O-N 3.39Å; F475-G478 PolarHBondContact O-N 2.95Å; G478-T482 WeakPolarHBondContact O-CB 3.32Å; G478-T482 PolarHBondContact O-N 3.47Å; G478-T482 PolarHBondContact O-OG1 2.75Å
479R85.8Confident77Confident77 Ų7763.6 Ų63.629%0.29134%0.341SS..Hα-helixtrans-66.9-40.5177.6-177.5163.6-70.5-161.6-5112.3F475 T476 V477 T482 A483 L500 L502F475-R479 WeakPolarHBondContact O-CB 3.41Å; F475-R479 PolarHBondContact O-N 3.49Å; T476-R479 PolarHBondContact O-N 3.43Å; V477-R479 VanDerWaalsContact C-N 3.31Å; V477-R479 PolarHBondContact O-N 3.3Å; R479-T482 PolarHBondContact O-N 3.07Å; R479-A483 PolarHBondContact O-N 2.71Å; R479-L500 PolarHBondContact NH1-O 3.45Å; R479-L500 PolarHBondContact NH2-O 3.29Å; R479-L502 HydrophobicContact CB-CD1 4.42Å; R479-L502 HydrophobicContact CB-CD2 4.25Å; R479-L502 VanDerWaalsContact CZ-CD2 3.47Å; R479-L502 VanDerWaalsContact NE-CD2 3.32Å
480S83.2Confident74.3Confident56 Ų5672.2 Ų72.239%0.39236%0.364SS..Hα-helixtrans-63.5-44.7176.668.80000111.7T476 V477 T482 A483 E484T476-S480 PolarHBondContact O-N 3.22Å; T476-S480 VanDerWaalsContact O-N 3.1Å; V477-S480 PolarHBondContact O-N 3.44Å; V477-S480 PolarHBondContact O-OG 2.88Å; S480-T482 VanDerWaalsContact C-N 3.3Å; S480-T482 PolarHBondContact O-N 3.27Å; S480-A483 PolarHBondContact O-N 2.95Å; S480-E484 WeakPolarHBondContact O-CG 3.38Å; S480-E484 PolarHBondContact O-N 3.34Å
481K79.8Confident71.6Confident51 Ų5173.1 Ų73.122%0.22237%0.367CS..Hα-helixtrans-59.4-39.5174.9-69.4-175.5-175.1-175.40113I438 L440 M446 V477 E484 T485I438-K481 PolarHBondContact O-NZ 3.23Å; L440-K481 PolarHBondContact O-NZ 2.8Å; M446-K481 HydrophobicContact CE-CD 4.3Å; V477-K481 WeakPolarHBondContact O-CG 3.35Å; V477-K481 PolarHBondContact O-N 3.33Å; V477-K481 VanDerWaalsContact O-N 3.1Å; K481-E484 PolarHBondContact O-N 3.22Å; K481-T485 PolarHBondContact O-N 3.39Å; K481-T485 VanDerWaalsContact O-N 3.15Å; K481-T485 PolarHBondContact O-OG1 3.14Å
482T69.6Low68.8Low40 Ų4075.8 Ų75.825%0.24539%0.385CS..Hα-helixtrans-69.3-35.8179.6-51.50000111.4G478 R479 S480 T485 S486G478-T482 WeakPolarHBondContact O-CB 3.32Å; G478-T482 PolarHBondContact O-N 3.47Å; G478-T482 PolarHBondContact O-OG1 2.75Å; R479-T482 PolarHBondContact O-N 3.07Å; S480-T482 VanDerWaalsContact C-N 3.3Å; S480-T482 PolarHBondContact O-N 3.27Å; T482-T485 WeakPolarHBondContact CA-OG1 3.48Å; T482-T485 PolarHBondContact O-OG1 3.11Å; T482-S486 WeakPolarHBondContact O-CB 3.37Å; T482-S486 PolarHBondContact O-N 3.35Å; T482-S486 PolarHBondContact O-OG 3.48Å
483A61.4Low66.6Low53 Ų5374.4 Ų74.444%0.43839%0.392SS..Hα-helixtrans-70-38.8175.200000112.6R479 S480 T485 S486R479-A483 PolarHBondContact O-N 2.71Å; S480-A483 PolarHBondContact O-N 2.95Å; A483-T485 VanDerWaalsContact C-N 3.35Å; A483-S486 PolarHBondContact O-OG 3.2Å; A483-S486 VanDerWaalsContact O-OG 3.1Å
484E56Low64.9Low130 Ų13070.6 Ų70.661%0.60738%0.384SS*.Hα-helixtrans-65.2-37.1176.5-73.1170-168.700112.6S480 K481S480-E484 WeakPolarHBondContact O-CG 3.38Å; S480-E484 PolarHBondContact O-N 3.34Å; K481-E484 PolarHBondContact O-N 3.22Å
485T55.9Low63.7Low59 Ų5971.8 Ų71.836%0.36239%0.39SS..Hα-helixtrans-80.1-34-177.641.90000113.4K481 T482 A483 L487 H488 Q489K481-T485 PolarHBondContact O-N 3.39Å; K481-T485 VanDerWaalsContact O-N 3.15Å; K481-T485 PolarHBondContact O-OG1 3.14Å; T482-T485 WeakPolarHBondContact CA-OG1 3.48Å; T482-T485 PolarHBondContact O-OG1 3.11Å; A483-T485 VanDerWaalsContact C-N 3.35Å; T485-L487 VanDerWaalsContact C-N 3.27Å; T485-L487 PolarHBondContact O-N 3.04Å; T485-H488 PolarHBondContact O-N 3.19Å; T485-Q489 PolarHBondContact O-N 3.33Å
486S52.9Low62.9Low65 Ų6572.3 Ų72.346%0.45539%0.392SS..Hα-helixtrans-66.3-25.2179.765.20000114T482 A483 H488T482-S486 WeakPolarHBondContact O-CB 3.37Å; T482-S486 PolarHBondContact O-N 3.35Å; T482-S486 PolarHBondContact O-OG 3.48Å; A483-S486 PolarHBondContact O-OG 3.2Å; A483-S486 VanDerWaalsContact O-OG 3.1Å; S486-H488 VanDerWaalsContact C-N 3.28Å; S486-H488 PolarHBondContact O-N 3.03Å
487L49.3Very low62Low142 Ų14270.6 Ų70.674%0.74338%0.383SS*.THydrogen-bonded Turntrans-66.6-25.4175.2-89152.4000113.5T485T485-L487 VanDerWaalsContact C-N 3.27Å; T485-L487 PolarHBondContact O-N 3.04Å
488H43.2Very low61.1Low166 Ų16676.5 Ų76.577%0.76941%0.408SS*.THydrogen-bonded Turntrans-114.4-26.2-171.7-74.4-57.8000114.7T485 S486T485-H488 PolarHBondContact O-N 3.19Å; S486-H488 VanDerWaalsContact C-N 3.28Å; S486-H488 PolarHBondContact O-N 3.03Å
489Q39.6Very low60.4Low117 Ų11781 Ų8155%0.54744%0.438SS..SBendtrans-146.8142-178.8-65.1179.6-6.500108.3T485 V491T485-Q489 PolarHBondContact O-N 3.33Å; Q489-V491 HydrophobicContact CB-CG2 4.23Å; Q489-V491 VanDerWaalsContact O-CG2 3.3Å; Q489-V491 WeakPolarHBondContact O-CG2 3.41Å; Q489-V491 PolarHBondContact O-N 3.23Å
490R39.1Very low60.2Low242 Ų24277.3 Ų77.391%0.91342%0.424SS*.  trans-62.880.6166.7-75.7-176.8180-179.7-0.5108
491V41.2Very low60.4Low36 Ų3676.2 Ų76.222%0.21842%0.416CS..  trans-73127.8179.8178.20000107.4Q489 G493Q489-V491 HydrophobicContact CB-CG2 4.23Å; Q489-V491 VanDerWaalsContact O-CG2 3.3Å; Q489-V491 WeakPolarHBondContact O-CG2 3.41Å; Q489-V491 PolarHBondContact O-N 3.23Å; V491-G493 PolarHBondContact O-N 3.17Å
492P37.1Very low60.8Low56 Ų5675.4 Ų75.436%0.36441%0.414SS..  trans-74.383.6166.517.1-5000107.8Y384Y384-P492 HydrophobicContact CD2-CG 3.25Å; Y384-P492 HydrophobicContact CE2-CG 3.53Å; Y384-P492 HydrophobicContact CG-CG 4.02Å
493G48.9Very low61.8Low40 Ų4078.6 Ų78.641%0.41243%0.43SS..  trans-105.1141.9145.800000106.6V491V491-G493 PolarHBondContact O-N 3.17Å
494G59.9Low63.1Low34 Ų3478 Ų7835%0.35142%0.419SS..  trans-179.8-6.1-174.800000115.6D444 I496 Q654D444-G494 PolarHBondContact OD2-N 3.44Å; G494-I496 VanDerWaalsContact C-N 3.25Å; G494-Q654 PolarHBondContact O-NE2 3.17Å
495L69.6Low64.6Low26 Ų2671.9 Ų71.914%0.13639%0.39CS..SBendtrans-62.6-41.7170.9-62.9-177000110Y233 D444 L448 Q654 L657 L661Y233-L495 HydrophobicContact CD1-CD1 4.31Å; Y233-L495 HydrophobicContact CE1-CD1 4.27Å; Y233-L495 HydrophobicContact CE1-CD2 4.16Å; D444-L495 HydrophobicContact CB-CB 4.45Å; D444-L495 HydrophobicContact CB-CD1 4.4Å; D444-L495 PolarHBondContact OD2-N 2.74Å; D444-L495 VanDerWaalsContact OD2-N 3.13Å; L448-L495 HydrophobicContact CD1-CD1 4.01Å; L448-L495 HydrophobicContact CD2-CD1 4.21Å; L448-L495 HydrophobicContact CG-CD1 4.38Å; L495-Q654 HydrophobicContact CD2-CG 3.53Å; L495-L657 HydrophobicContact CB-CD1 4.24Å; L495-L657 HydrophobicContact CD1-CD1 3.8Å; L495-L657 HydrophobicContact CD2-CD1 3.88Å; L495-L657 HydrophobicContact CG-CD1 4.19Å; L495-L661 WeakPolarHBondContact O-CD1 3.37Å
496I77Confident66.3Low10 Ų1069.2 Ų69.25%0.05137%0.374CS..SBendtrans-96.1120.7174.5-64.6168.5000110L443 D444 F447 G494 Q498 L500 L505 L661L443-I496 HydrophobicContact CD2-CD1 4.28Å; L443-I496 HydrophobicContact CD2-CG2 4.35Å; L443-I496 HydrophobicContact CG-CD1 3.88Å; D444-I496 PolarHBondContact OD1-N 3.49Å; F447-I496 HydrophobicContact CB-CD1 3.46Å; F447-I496 VanDerWaalsContact CB-CD1 3.46Å; F447-I496 HydrophobicContact CD1-CD1 4.12Å; F447-I496 HydrophobicContact CD1-CG1 4.44Å; F447-I496 HydrophobicContact CD2-CD1 4.12Å; F447-I496 HydrophobicContact CG-CD1 3.64Å; F447-I496 HydrophobicContact CG-CG1 4.39Å; G494-I496 VanDerWaalsContact C-N 3.25Å; I496-Q498 PolarHBondContact O-N 3.15Å; I496-L500 HydrophobicContact CG2-CD2 4.35Å; I496-L505 HydrophobicContact CD1-CD1 4.32Å; I496-L505 HydrophobicContact CD1-CD2 4.01Å; I496-L505 HydrophobicContact CG1-CD2 4.18Å; I496-L505 HydrophobicContact CG2-CD1 4.1Å; I496-L505 HydrophobicContact CG2-CD2 3.98Å; I496-L505 HydrophobicContact CG2-CG 4.49Å; I496-L661 HydrophobicContact CG1-CD1 4.43Å
497P73.2Confident68.1Low43 Ų4371 Ų7128%0.27938%0.376SS..  trans-58.2133.3171.5-24.435.1000111.4C499 L500 M663P497-C499 PolarHBondContact O-N 2.99Å; P497-L500 WeakPolarHBondContact O-CB 3.36Å; P497-L500 PolarHBondContact O-N 3.04Å; P497-L500 VanDerWaalsContact O-N 3.08Å; P497-M663 HydrophobicContact CB-CE 3.7Å; P497-M663 HydrophobicContact CG-CE 3.8Å
498Q71.5Confident69.8Low164 Ų16464.8 Ų64.877%0.76634%0.343SS*.THydrogen-bonded Turntrans-61.3-29.3-179.8-67.6-176.8-4.600113.1I496 L500I496-Q498 PolarHBondContact O-N 3.15Å; Q498-L500 VanDerWaalsContact C-N 3.28Å; Q498-L500 PolarHBondContact O-N 3.24Å
499C75.3Confident71.9Confident93 Ų9357.3 Ų57.363%0.62831%0.308SS*.THydrogen-bonded Turntrans-70.7-19.8178.1560000113.7P497 S501 M663P497-C499 PolarHBondContact O-N 2.99Å; C499-S501 PolarHBondContact O-N 2.89Å; C499-M663 WeakPolarHBondContact SG-CE 3.48Å
500L81.4Confident74.3Confident1 Ų153.6 Ų53.61%0.00529%0.291CS..SBendtrans-69.2127.6-176-174.462.8000110.5R479 I496 P497 Q498 N504 L505 L661 L662R479-L500 PolarHBondContact NH1-O 3.45Å; R479-L500 PolarHBondContact NH2-O 3.29Å; I496-L500 HydrophobicContact CG2-CD2 4.35Å; P497-L500 WeakPolarHBondContact O-CB 3.36Å; P497-L500 PolarHBondContact O-N 3.04Å; P497-L500 VanDerWaalsContact O-N 3.08Å; Q498-L500 VanDerWaalsContact C-N 3.28Å; Q498-L500 PolarHBondContact O-N 3.24Å; L500-N504 HydrophobicContact CD1-CB 3.67Å; L500-N504 HydrophobicContact CG-CB 4.32Å; L500-L505 HydrophobicContact CD2-CD2 3.41Å; L500-L505 VanDerWaalsContact CD2-CD2 3.41Å; L500-L505 HydrophobicContact CD2-CG 3.73Å; L500-L505 HydrophobicContact CG-CD2 4.36Å; L500-L505 HydrophobicContact CG-CG 4.17Å; L500-L661 HydrophobicContact CD2-CB 4.36Å; L500-L661 HydrophobicContact CD2-CD2 3.97Å; L500-L662 VanDerWaalsContact CD1-O 3.26Å; L500-L662 WeakPolarHBondContact CD1-O 3.44Å
501S87.4Confident76.4Confident33 Ų3343.7 Ų43.723%0.23126%0.258CS..  trans-68150.317774.90000113.1C499 N503 N504 L505 D664C499-S501 PolarHBondContact O-N 2.89Å; S501-N503 PolarHBondContact O-N 2.91Å; S501-N504 PolarHBondContact O-N 2.85Å; S501-N504 VanDerWaalsContact O-N 3.14Å; S501-N504 WeakPolarHBondContact OG-CB 3.33Å; S501-N504 PolarHBondContact OG-N 3.14Å; S501-N504 VanDerWaalsContact OG-N 3.11Å; S501-N504 PolarHBondContact OG-OD1 3.14Å; S501-L505 PolarHBondContact O-N 2.68Å; S501-D664 PolarHBondContact N-OD2 3.47Å
502L88.4Confident78.2Confident34 Ų3443.5 Ų43.518%0.17826%0.255CS..Hα-helixtrans-61.2-34.2174.9-68.9-175000112.1F475 R479 L505 V506F475-L502 HydrophobicContact CB-CD2 3.85Å; R479-L502 HydrophobicContact CB-CD1 4.42Å; R479-L502 HydrophobicContact CB-CD2 4.25Å; R479-L502 VanDerWaalsContact CZ-CD2 3.47Å; R479-L502 VanDerWaalsContact NE-CD2 3.32Å; L502-L505 HydrophobicContact CD2-CD1 3.98Å; L502-L505 PolarHBondContact O-N 3.28Å; L502-V506 PolarHBondContact O-N 3.21Å
503N88.7Confident80.3Confident107 Ų10741.8 Ų41.857%0.57224%0.241SC*.Hα-helixtrans-64.3-42.6175.1-74-24.4000110.8S501 V506 Q507S501-N503 PolarHBondContact O-N 2.91Å; N503-V506 PolarHBondContact O-N 2.92Å; N503-Q507 WeakPolarHBondContact O-CG 3.49Å; N503-Q507 PolarHBondContact O-N 3.34Å
504N88.7Confident81.8Confident41 Ų4146 Ų4622%0.21925%0.25CC..Hα-helixtrans-66.3-37.3176.2-75.27.1000112.7L500 S501 V506 Q507 N508 D664L500-N504 HydrophobicContact CD1-CB 3.67Å; L500-N504 HydrophobicContact CG-CB 4.32Å; S501-N504 PolarHBondContact O-N 2.85Å; S501-N504 VanDerWaalsContact O-N 3.14Å; S501-N504 WeakPolarHBondContact OG-CB 3.33Å; S501-N504 PolarHBondContact OG-N 3.14Å; S501-N504 VanDerWaalsContact OG-N 3.11Å; S501-N504 PolarHBondContact OG-OD1 3.14Å; N504-V506 VanDerWaalsContact C-N 3.26Å; N504-V506 PolarHBondContact O-N 3.29Å; N504-Q507 CarbonylContact O-C 3.59Å; N504-Q507 PolarHBondContact O-N 2.71Å; N504-N508 VanDerWaalsContact O-CB 3.23Å; N504-N508 WeakPolarHBondContact O-CB 3.2Å; N504-N508 PolarHBondContact O-N 3.48Å; N504-N508 PolarHBondContact O-ND2 3.01Å; N504-D664 PolarHBondContact ND2-OD1 3.22Å; N504-D664 PolarHBondContact ND2-OD2 3.26Å
505L88.5Confident82.6Confident0 Ų049.9 Ų49.90%026%0.257CS..Hα-helixtrans-54.9-44.7172-77.9170.7000111.8L443 F447 F475 I496 L500 S501 L502 N508 I509 L661L443-L505 HydrophobicContact CD2-CD1 4.33Å; F447-L505 HydrophobicContact CD2-CD2 3.97Å; F447-L505 HydrophobicContact CE2-CD2 3.95Å; F475-L505 HydrophobicContact CD2-CB 4.09Å; F475-L505 HydrophobicContact CD2-CD1 4.49Å; F475-L505 HydrophobicContact CE2-CB 4.09Å; I496-L505 HydrophobicContact CD1-CD1 4.32Å; I496-L505 HydrophobicContact CD1-CD2 4.01Å; I496-L505 HydrophobicContact CG1-CD2 4.18Å; I496-L505 HydrophobicContact CG2-CD1 4.1Å; I496-L505 HydrophobicContact CG2-CD2 3.98Å; I496-L505 HydrophobicContact CG2-CG 4.49Å; L500-L505 HydrophobicContact CD2-CD2 3.41Å; L500-L505 VanDerWaalsContact CD2-CD2 3.41Å; L500-L505 HydrophobicContact CD2-CG 3.73Å; L500-L505 HydrophobicContact CG-CD2 4.36Å; L500-L505 HydrophobicContact CG-CG 4.17Å; S501-L505 PolarHBondContact O-N 2.68Å; L502-L505 HydrophobicContact CD2-CD1 3.98Å; L502-L505 PolarHBondContact O-N 3.28Å; L505-N508 PolarHBondContact O-N 3.13Å; L505-I509 WeakPolarHBondContact O-CG1 3.43Å; L505-I509 PolarHBondContact O-N 3.21Å; L505-L661 HydrophobicContact CD2-CD2 3.77Å
506V91.5Very high82.7Confident3 Ų349.5 Ų49.52%0.01825%0.254CS..Hα-helixtrans-69.3-40.9177.4176.60000111.8W468 I471 R472 F475 L502 N503 N504 N508 I509 K510W468-V506 HydrophobicContact CE3-CG1 3.98Å; W468-V506 HydrophobicContact CZ3-CG1 4.45Å; I471-V506 HydrophobicContact CG2-CG2 4.03Å; R472-V506 HydrophobicContact CG-CG2 3.8Å; F475-V506 HydrophobicContact CD2-CG2 3.96Å; F475-V506 HydrophobicContact CE2-CG2 4.13Å; L502-V506 PolarHBondContact O-N 3.21Å; N503-V506 PolarHBondContact O-N 2.92Å; N504-V506 VanDerWaalsContact C-N 3.26Å; N504-V506 PolarHBondContact O-N 3.29Å; V506-N508 VanDerWaalsContact C-N 3.31Å; V506-N508 PolarHBondContact O-N 3.47Å; V506-I509 PolarHBondContact O-N 3.32Å; V506-K510 HydrophobicContact CG1-CD 4.48Å; V506-K510 WeakPolarHBondContact O-CG 3.05Å; V506-K510 PolarHBondContact O-N 2.96Å
507Q90Very high82.6Confident104 Ų10450 Ų5049%0.48626%0.26SS..Hα-helixtrans-65.6-34.7176.3-67.6-57.5-20.100112.4N503 N504 K510 S511N503-Q507 WeakPolarHBondContact O-CG 3.49Å; N503-Q507 PolarHBondContact O-N 3.34Å; N504-Q507 CarbonylContact O-C 3.59Å; N504-Q507 PolarHBondContact O-N 2.71Å; Q507-K510 PolarHBondContact O-N 2.98Å; Q507-S511 VanDerWaalsContact O-CB 3.27Å; Q507-S511 WeakPolarHBondContact O-CB 3.37Å; Q507-S511 PolarHBondContact O-N 3.32Å
508N86.4Confident82.6Confident11 Ų1154.6 Ų54.66%0.05928%0.277CS..Hα-helixtrans-61.8-46.5175.3-78.6-19.9000110.8N504 L505 V506 K510 S511 F512 L660 L661 L662N504-N508 VanDerWaalsContact O-CB 3.23Å; N504-N508 WeakPolarHBondContact O-CB 3.2Å; N504-N508 PolarHBondContact O-N 3.48Å; N504-N508 PolarHBondContact O-ND2 3.01Å; L505-N508 PolarHBondContact O-N 3.13Å; V506-N508 VanDerWaalsContact C-N 3.31Å; V506-N508 PolarHBondContact O-N 3.47Å; N508-K510 PolarHBondContact O-N 2.88Å; N508-S511 PolarHBondContact O-N 2.91Å; N508-F512 WeakPolarHBondContact O-CB 3.06Å; N508-F512 PolarHBondContact O-N 3.39Å; N508-L660 WeakPolarHBondContact CB-O 3.44Å; N508-L661 WeakPolarHBondContact ND2-CA 3.48Å; N508-L662 PolarHBondContact ND2-N 3.34Å; N508-L662 PolarHBondContact ND2-O 3.46Å; N508-L662 WeakPolarHBondContact OD1-CB 3.41Å; N508-L662 PolarHBondContact OD1-N 2.85Å
509I86.9Confident82.3Confident8 Ų847.7 Ų47.74%0.04125%0.245CC..Hα-helixtrans-62.2-42.1174.6-65.6167.9000111.4F447 V450 I454 W468 F475 L505 V506 R513F447-I509 HydrophobicContact CD2-CD1 4.19Å; F447-I509 HydrophobicContact CE2-CD1 4.02Å; F447-I509 HydrophobicContact CE2-CG1 4.06Å; V450-I509 HydrophobicContact CG1-CD1 3.89Å; I454-I509 HydrophobicContact CD1-CG2 3.6Å; W468-I509 HydrophobicContact CH2-CG2 4.38Å; W468-I509 HydrophobicContact CZ3-CG2 4.12Å; F475-I509 HydrophobicContact CE2-CD1 3.74Å; F475-I509 HydrophobicContact CZ-CD1 3.69Å; L505-I509 WeakPolarHBondContact O-CG1 3.43Å; L505-I509 PolarHBondContact O-N 3.21Å; V506-I509 PolarHBondContact O-N 3.32Å; I509-R513 WeakPolarHBondContact O-CB 3.41Å; I509-R513 PolarHBondContact O-N 2.75Å
510K89.2Confident81.6Confident40 Ų4044.7 Ų44.717%0.17423%0.225CC..Hα-helixtrans-62.9-52176.3-75.9-179.8174.9-171.10112.1W468 V506 Q507 N508 F512 R513 Q514W468-K510 HydrophobicContact CD2-CD 4.45Å; W468-K510 HydrophobicContact CD2-CG 4.36Å; W468-K510 VanDerWaalsContact CE2-CE 3.45Å; W468-K510 HydrophobicContact CE3-CD 4.44Å; W468-K510 HydrophobicContact CE3-CG 4.08Å; W468-K510 HydrophobicContact CH2-CB 4.45Å; W468-K510 HydrophobicContact CH2-CD 4.44Å; W468-K510 HydrophobicContact CH2-CG 3.41Å; W468-K510 VanDerWaalsContact CH2-CG 3.41Å; W468-K510 HydrophobicContact CZ2-CD 4.42Å; W468-K510 HydrophobicContact CZ2-CG 3.72Å; W468-K510 HydrophobicContact CZ3-CD 4.44Å; W468-K510 HydrophobicContact CZ3-CG 3.61Å; V506-K510 HydrophobicContact CG1-CD 4.48Å; V506-K510 WeakPolarHBondContact O-CG 3.05Å; V506-K510 PolarHBondContact O-N 2.96Å; Q507-K510 PolarHBondContact O-N 2.98Å; N508-K510 PolarHBondContact O-N 2.88Å; K510-F512 VanDerWaalsContact C-N 3.31Å; K510-F512 PolarHBondContact O-N 2.61Å; K510-R513 PolarHBondContact O-N 3.03Å; K510-Q514 WeakPolarHBondContact O-CG 3.5Å; K510-Q514 PolarHBondContact O-N 3.39Å
511S84.5Confident80.5Confident34 Ų3445.3 Ų45.324%0.23823%0.229CC..Hα-helixtrans-59.2-44.6179.5-176.40000110.7Q507 N508 R513 Q514 K515Q507-S511 VanDerWaalsContact O-CB 3.27Å; Q507-S511 WeakPolarHBondContact O-CB 3.37Å; Q507-S511 PolarHBondContact O-N 3.32Å; N508-S511 PolarHBondContact O-N 2.91Å; S511-R513 PolarHBondContact O-N 2.69Å; S511-Q514 PolarHBondContact O-N 2.86Å; S511-K515 WeakPolarHBondContact O-CG 3.36Å; S511-K515 PolarHBondContact O-N 3.16Å
512F78.2Confident79.2Confident31 Ų3145.6 Ų45.614%0.13623%0.226CC..Hα-helixtrans-57.6-50175.3175.4-93.2000111.6P226 N508 K510 Q514 K515 R516 L660P226-F512 HydrophobicContact CB-CE1 4.36Å; P226-F512 HydrophobicContact CB-CE2 4.26Å; P226-F512 HydrophobicContact CB-CZ 4.02Å; P226-F512 HydrophobicContact CG-CD1 4.47Å; P226-F512 HydrophobicContact CG-CE1 3.5Å; P226-F512 HydrophobicContact CG-CE2 3.85Å; P226-F512 HydrophobicContact CG-CZ 3.17Å; N508-F512 WeakPolarHBondContact O-CB 3.06Å; N508-F512 PolarHBondContact O-N 3.39Å; K510-F512 VanDerWaalsContact C-N 3.31Å; K510-F512 PolarHBondContact O-N 2.61Å; F512-Q514 VanDerWaalsContact C-N 3.3Å; F512-Q514 PolarHBondContact O-N 2.74Å; F512-K515 PolarHBondContact O-N 2.65Å; F512-R516 HydrophobicContact CE1-CB 4.4Å; F512-R516 HydrophobicContact CZ-CB 4.29Å; F512-R516 PolarHBondContact O-N 2.99Å; F512-L660 HydrophobicContact CD2-CD2 3.32Å; F512-L660 HydrophobicContact CE2-CD2 3.71Å; F512-L660 HydrophobicContact CG-CD2 4.02Å
513R81.4Confident77.6Confident21 Ų2148.9 Ų48.98%0.07924%0.243CC..Hα-helixtrans-60-40.6177.9-165.9-178.5177.378.3-1.8112I454 V457 P458 I459 I509 K510 S511 R516 A517I454-R513 PolarHBondContact O-NH1 3.47Å; V457-R513 PolarHBondContact O-NH1 2.97Å; V457-R513 PolarHBondContact O-NH2 2.7Å; P458-R513 VanDerWaalsContact C-NH2 3.34Å; P458-R513 PolarHBondContact O-NH2 3.23Å; I459-R513 HydrophobicContact CD1-CG 3.52Å; I459-R513 WeakPolarHBondContact CD1-O 3.44Å; I509-R513 WeakPolarHBondContact O-CB 3.41Å; I509-R513 PolarHBondContact O-N 2.75Å; K510-R513 PolarHBondContact O-N 3.03Å; S511-R513 PolarHBondContact O-N 2.69Å; R513-R516 PolarHBondContact O-N 3.33Å; R513-A517 PolarHBondContact O-N 3.11Å
514Q80.8Confident75.6Confident127 Ų12747.9 Ų47.959%0.59324%0.238SC*.Hα-helixtrans-64.8-45.6176.7-72.6172.6-8.700112.3K510 S511 F512 R516 A517 Q518K510-Q514 WeakPolarHBondContact O-CG 3.5Å; K510-Q514 PolarHBondContact O-N 3.39Å; S511-Q514 PolarHBondContact O-N 2.86Å; F512-Q514 VanDerWaalsContact C-N 3.3Å; F512-Q514 PolarHBondContact O-N 2.74Å; Q514-R516 VanDerWaalsContact C-N 3.33Å; Q514-R516 PolarHBondContact O-N 3.46Å; Q514-A517 WeakPolarHBondContact O-CB 3.33Å; Q514-A517 PolarHBondContact O-N 3.42Å; Q514-Q518 WeakPolarHBondContact O-CG 3.34Å; Q514-Q518 PolarHBondContact O-N 3.18Å
515K75.8Confident73.6Confident117 Ų11748 Ų4851%0.50924%0.238SC..Hα-helixtrans-59.7-43.1175-73179.3-178.9-179.60111.4S511 F512 A517 Q518S511-K515 WeakPolarHBondContact O-CG 3.36Å; S511-K515 PolarHBondContact O-N 3.16Å; F512-K515 PolarHBondContact O-N 2.65Å; K515-A517 VanDerWaalsContact C-N 3.32Å; K515-A517 PolarHBondContact O-N 2.91Å; K515-Q518 WeakPolarHBondContact O-CB 3.46Å; K515-Q518 PolarHBondContact O-N 3.47Å; K515-Q518 VanDerWaalsContact O-N 3.16Å
516R73Confident71.1Confident18 Ų1854.9 Ų54.97%0.06828%0.28CS..Hα-helixtrans-62.4-36.4176.7-175.3175.1173.8-159.2-3.8112.5S455 I459 F512 R513 Q514 Q518 L519 Y522 R532S455-R516 PolarHBondContact O-NH1 2.91Å; S455-R516 VanDerWaalsContact O-NH1 3.15Å; I459-R516 HydrophobicContact CD1-CB 4Å; I459-R516 HydrophobicContact CD1-CG 3.94Å; I459-R516 HydrophobicContact CG1-CG 4.37Å; F512-R516 HydrophobicContact CE1-CB 4.4Å; F512-R516 HydrophobicContact CZ-CB 4.29Å; F512-R516 PolarHBondContact O-N 2.99Å; R513-R516 PolarHBondContact O-N 3.33Å; Q514-R516 VanDerWaalsContact C-N 3.33Å; Q514-R516 PolarHBondContact O-N 3.46Å; R516-Q518 PolarHBondContact O-N 3.25Å; R516-L519 HydrophobicContact CG-CD1 4.26Å; R516-L519 WeakPolarHBondContact O-CB 3.25Å; R516-L519 WeakPolarHBondContact O-CG 3.09Å; R516-L519 PolarHBondContact O-N 2.88Å; R516-Y522 HydrophobicContact CG-CD2 4.33Å; R516-Y522 HydrophobicContact CG-CE2 3.98Å; R516-Y522 PolarHBondContact NE-OH 3.35Å; R516-Y522 PolarHBondContact NH2-OH 3.21Å; R516-Y522 WeakPolarHBondContact O-CD2 3.41Å; R516-R532 PolarHBondContact NH2-O 3.11Å
517A74.7Confident68.7Low21 Ų2156.9 Ų56.917%0.17430%0.301CS..Hα-helixtrans-63.3-28.4176.200000113.4I459 R513 Q514 K515 L519I459-A517 HydrophobicContact CG1-CB 3.76Å; R513-A517 PolarHBondContact O-N 3.11Å; Q514-A517 WeakPolarHBondContact O-CB 3.33Å; Q514-A517 PolarHBondContact O-N 3.42Å; K515-A517 VanDerWaalsContact C-N 3.32Å; K515-A517 PolarHBondContact O-N 2.91Å; A517-L519 VanDerWaalsContact C-N 3.29Å; A517-L519 PolarHBondContact O-N 3.28Å
518Q72.3Confident66.3Low139 Ų13956.3 Ų56.365%0.6531%0.305SS*.THydrogen-bonded Turntrans-78-12.8-179.1-65.3170.7-1.900113.2Q514 K515 R516Q514-Q518 WeakPolarHBondContact O-CG 3.34Å; Q514-Q518 PolarHBondContact O-N 3.18Å; K515-Q518 WeakPolarHBondContact O-CB 3.46Å; K515-Q518 PolarHBondContact O-N 3.47Å; K515-Q518 VanDerWaalsContact O-N 3.16Å; R516-Q518 PolarHBondContact O-N 3.25Å
519L66.1Low64.1Low18 Ų1858.1 Ų58.19%0.09432%0.318CS..SBendtrans-67.9145.6-177.2-61.2172.4000111.3I222 R516 A517 S521 Y522 N523I222-L519 HydrophobicContact CB-CD2 4.36Å; I222-L519 HydrophobicContact CG1-CD2 3.89Å; R516-L519 HydrophobicContact CG-CD1 4.26Å; R516-L519 WeakPolarHBondContact O-CB 3.25Å; R516-L519 WeakPolarHBondContact O-CG 3.09Å; R516-L519 PolarHBondContact O-N 2.88Å; A517-L519 VanDerWaalsContact C-N 3.29Å; A517-L519 PolarHBondContact O-N 3.28Å; L519-S521 VanDerWaalsContact C-N 3.25Å; L519-S521 PolarHBondContact O-N 2.9Å; L519-S521 VanDerWaalsContact O-N 3.12Å; L519-Y522 HydrophobicContact CB-CD2 4.04Å; L519-Y522 HydrophobicContact CD1-CD2 4.46Å; L519-Y522 HydrophobicContact CD1-CE2 4.37Å; L519-Y522 PolarHBondContact O-N 3.28Å; L519-N523 PolarHBondContact O-N 3.08Å
520P59.1Low62.1Low30 Ų3061.8 Ų61.820%0.19534%0.335CS..Hα-helixtrans-54.7-36.3-175.3-2834.8000114.7F180 Y522 N523 N524F180-P520 HydrophobicContact CE2-CB 4.06Å; F180-P520 HydrophobicContact CE2-CG 3.92Å; F180-P520 HydrophobicContact CZ-CB 4.21Å; F180-P520 HydrophobicContact CZ-CG 4.09Å; P520-Y522 PolarHBondContact O-N 3.14Å; P520-N523 PolarHBondContact O-N 3.31Å; P520-N524 PolarHBondContact O-N 3.46Å
521S58.8Low59.8Low15 Ų1560.7 Ų60.711%0.10533%0.333CS..Hα-helixtrans-65.1-22.2178.561.10000113.5L519 L525 S536L519-S521 VanDerWaalsContact C-N 3.25Å; L519-S521 PolarHBondContact O-N 2.9Å; L519-S521 VanDerWaalsContact O-N 3.12Å; S521-L525 VanDerWaalsContact O-CD1 3.29Å; S521-L525 WeakPolarHBondContact O-CD1 3.06Å; S521-S536 WeakPolarHBondContact OG-CB 3.42Å; S521-S536 PolarHBondContact OG-OG 3.45Å
522Y61.4Low58.2Low39 Ų3964.1 Ų64.115%0.15334%0.341CS..Hα-helixtrans-104.6-29.8179.4-62.6-81.1000111.8I459 H460 R516 L519 P520 Q534I459-Y522 HydrophobicContact CB-CD1 4.14Å; I459-Y522 HydrophobicContact CG2-CD1 3.55Å; I459-Y522 HydrophobicContact CG2-CE1 4.43Å; I459-Y522 HydrophobicContact CG2-CG 3.94Å; H460-Y522 PolarHBondContact NE2-O 3.3Å; R516-Y522 HydrophobicContact CG-CD2 4.33Å; R516-Y522 HydrophobicContact CG-CE2 3.98Å; R516-Y522 PolarHBondContact NE-OH 3.35Å; R516-Y522 PolarHBondContact NH2-OH 3.21Å; R516-Y522 WeakPolarHBondContact O-CD2 3.41Å; L519-Y522 HydrophobicContact CB-CD2 4.04Å; L519-Y522 HydrophobicContact CD1-CD2 4.46Å; L519-Y522 HydrophobicContact CD1-CE2 4.37Å; L519-Y522 PolarHBondContact O-N 3.28Å; P520-Y522 PolarHBondContact O-N 3.14Å; Y522-Q534 PolarHBondContact OH-O 3.48Å
523N53.8Low57Low103 Ų10364.6 Ų64.655%0.55134%0.342SS*.Hα-helixtrans-76.9-36.6-175.1-158.810.6000113.7L519 P520L519-N523 PolarHBondContact O-N 3.08Å; P520-N523 PolarHBondContact O-N 3.31Å
524N47.5Very low56.2Low86 Ų8664.5 Ų64.546%0.4634%0.343SS..SBendtrans-96.5-7.2-172.1-73.1-16.8000115.2P520 V526P520-N524 PolarHBondContact O-N 3.46Å; N524-V526 PolarHBondContact O-N 3.45Å
525L45.4Very low55.8Low43 Ų4358.8 Ų58.823%0.22532%0.317CS..  trans-98.668.5-172.8-62.5-178.1000111.9S521 G527 V528 P556S521-L525 VanDerWaalsContact O-CD1 3.29Å; S521-L525 WeakPolarHBondContact O-CD1 3.06Å; L525-G527 PolarHBondContact O-N 2.9Å; L525-V528 HydrophobicContact CB-CB 4.48Å; L525-V528 HydrophobicContact CB-CG2 4.03Å; L525-V528 HydrophobicContact CD1-CB 4.17Å; L525-V528 HydrophobicContact CD1-CG2 3.81Å; L525-V528 HydrophobicContact CD2-CG2 3.72Å; L525-V528 HydrophobicContact CG-CG2 4.05Å; L525-P556 HydrophobicContact CD2-CB 4.09Å; L525-P556 HydrophobicContact CD2-CG 4.08Å
526V37.7Very low55.7Low145 Ų14553.4 Ų53.488%0.87929%0.294SS*.SBendtrans-67.885.7152.5-175.90000106.7N524N524-V526 PolarHBondContact O-N 3.45Å
527G40Very low56.1Low45 Ų4552.6 Ų52.646%0.46429%0.291SS..SBendtrans148.2-14.6170.500000118.5Q418 L525Q418-G527 PolarHBondContact NE2-O 3.33Å; L525-G527 PolarHBondContact O-N 2.9Å
528V40Very low56.4Low92 Ų9251.8 Ų51.856%0.55828%0.284SS*.  trans-98.7115.1-178.7-151.50000110.2L525 Q530L525-V528 HydrophobicContact CB-CB 4.48Å; L525-V528 HydrophobicContact CB-CG2 4.03Å; L525-V528 HydrophobicContact CD1-CB 4.17Å; L525-V528 HydrophobicContact CD1-CG2 3.81Å; L525-V528 HydrophobicContact CD2-CG2 3.72Å; L525-V528 HydrophobicContact CG-CG2 4.05Å; V528-Q530 PolarHBondContact O-N 2.73Å
529S40.6Very low56.7Low48 Ų4847.2 Ų47.234%0.33626%0.262SS..  trans-89.732.4-153.349.90000115.2
530Q43.8Very low57.5Low86 Ų8646.3 Ų46.340%0.40226%0.258SS..  trans-130.6120.1-176.7-66.9175.3-21.200112V528 R532V528-Q530 PolarHBondContact O-N 2.73Å; Q530-R532 HydrophobicContact CB-CG 3.91Å; Q530-R532 PolarHBondContact O-N 2.79Å
531A41.4Very low58.7Low16 Ų1644.9 Ų44.913%0.13225%0.248CC..  trans-63.380.7157.400000108.7S410S410-A531 WeakPolarHBondContact OG-CB 3.27Å
532R50.8Low59.8Low106 Ų10647.6 Ų47.640%0.426%0.258SS..  trans-98.9131.9176-86.9-178.9-178.3178.211.8108.4R516 Q530 Q534R516-R532 PolarHBondContact NH2-O 3.11Å; Q530-R532 HydrophobicContact CB-CG 3.91Å; Q530-R532 PolarHBondContact O-N 2.79Å; R532-Q534 HydrophobicContact CB-CB 3.77Å; R532-Q534 PolarHBondContact O-N 3.21Å
533Y52.4Low60.6Low42 Ų4245.9 Ų45.917%0.16525%0.252CS..  trans-46.4-12.1153.9-78.7-76.8000114.1I227 E403 L407 H452 L456 P535I227-Y533 HydrophobicContact CB-CD1 4.24Å; I227-Y533 HydrophobicContact CD1-CD1 3.95Å; I227-Y533 HydrophobicContact CD1-CE1 3.67Å; I227-Y533 HydrophobicContact CG1-CD1 3.73Å; I227-Y533 HydrophobicContact CG1-CE1 4.01Å; I227-Y533 HydrophobicContact CG2-CD1 3.78Å; I227-Y533 HydrophobicContact CG2-CE1 4.11Å; E403-Y533 HydrophobicContact CG-CE2 4.49Å; L407-Y533 HydrophobicContact CD2-CD2 4.22Å; L407-Y533 HydrophobicContact CD2-CE2 4.08Å; H452-Y533 PolarHBondContact CD2-OH 3.26Å; H452-Y533 VanDerWaalsContact CD2-OH 3.23Å; H452-Y533 AromaticContact CE1-CE1 3.98Å; H452-Y533 AromaticContact CE1-CZ 3.95Å; H452-Y533 PolarHBondContact CE1-OH 2.76Å; H452-Y533 AromaticContact NE2-CZ 3.66Å; H452-Y533 PolarHBondContact NE2-OH 3.03Å; L456-Y533 VanDerWaalsContact CD1-OH 3.25Å; L456-Y533 WeakPolarHBondContact CD1-OH 3.44Å; L456-Y533 HydrophobicContact CD2-CD2 3.87Å; L456-Y533 HydrophobicContact CD2-CE1 4.08Å; L456-Y533 HydrophobicContact CD2-CE2 3.01Å; L456-Y533 WeakPolarHBondContact CD2-OH 3.35Å; L456-Y533 HydrophobicContact CG-CE1 4.18Å; L456-Y533 HydrophobicContact CG-CE2 3.93Å; L456-Y533 VanDerWaalsContact CG-CZ 3.48Å; L456-Y533 WeakPolarHBondContact CG-OH 3.4Å; Y533-P535 WeakPolarHBondContact O-CD 3.47Å
534Q65Low62.1Low19 Ų1941 Ų419%0.08923%0.226CC..  trans-67.6123.4-161.2-164.3171.3-20.200111.2Y522 R532 V538 K542Y522-Q534 PolarHBondContact OH-O 3.48Å; R532-Q534 HydrophobicContact CB-CB 3.77Å; R532-Q534 PolarHBondContact O-N 3.21Å; Q534-V538 HydrophobicContact CG-CB 3.8Å; Q534-V538 HydrophobicContact CG-CG1 3.81Å; Q534-V538 VanDerWaalsContact NE2-C 3.35Å; Q534-V538 PolarHBondContact NE2-O 2.95Å; Q534-K542 VanDerWaalsContact CD-NZ 3.33Å
535P71.8Confident63.8Low7 Ų737.5 Ų37.55%0.04521%0.207CC..  trans-57.7146174.8-24.433.9000110.9D225 Y533 L537 V538 Q539 L618D225-P535 HydrophobicContact CB-CB 4.23Å; D225-P535 HydrophobicContact CB-CG 3.95Å; D225-P535 WeakPolarHBondContact OD2-CG 3.29Å; Y533-P535 WeakPolarHBondContact O-CD 3.47Å; P535-L537 PolarHBondContact O-N 3.43Å; P535-L537 VanDerWaalsContact O-N 3.16Å; P535-V538 HydrophobicContact CB-CB 4.37Å; P535-V538 HydrophobicContact CB-CG2 3.89Å; P535-V538 HydrophobicContact CG-CB 4.5Å; P535-V538 HydrophobicContact CG-CG2 3.84Å; P535-V538 PolarHBondContact O-N 3.36Å; P535-Q539 PolarHBondContact O-N 3.4Å; P535-L618 HydrophobicContact CB-CD1 3.59Å; P535-L618 HydrophobicContact CG-CD1 3.58Å
536S73.9Confident65.4Low4 Ų438.9 Ų38.93%0.02821%0.214CC..Hα-helixtrans-55.1-35.9178.5-56.40000112S521 Q539 M540S521-S536 WeakPolarHBondContact OG-CB 3.42Å; S521-S536 PolarHBondContact OG-OG 3.45Å; S536-Q539 PolarHBondContact O-N 3.32Å; S536-M540 WeakPolarHBondContact O-CB 3.3Å; S536-M540 PolarHBondContact O-N 3.49Å
537L80.9Confident67.3Low1 Ų132 Ų321%0.00517%0.173CC..Hα-helixtrans-66.4-41.8175.7-68175.5000112.7F180 I218 I222 P535 Q539 M540 M541 L618 L622F180-L537 HydrophobicContact CD1-CD2 4Å; F180-L537 HydrophobicContact CE1-CD2 4.15Å; I218-L537 HydrophobicContact CD1-CD1 4.25Å; I218-L537 HydrophobicContact CD1-CD2 3.56Å; I218-L537 HydrophobicContact CG1-CD2 3.92Å; I218-L537 HydrophobicContact CG2-CD1 4.2Å; I218-L537 HydrophobicContact CG2-CD2 3.79Å; I218-L537 HydrophobicContact CG2-CG 4.45Å; I222-L537 HydrophobicContact CG2-CD2 4.04Å; I222-L537 HydrophobicContact CG2-CG 3.95Å; P535-L537 PolarHBondContact O-N 3.43Å; P535-L537 VanDerWaalsContact O-N 3.16Å; L537-Q539 VanDerWaalsContact C-N 3.31Å; L537-Q539 PolarHBondContact O-N 2.92Å; L537-M540 HydrophobicContact CD2-CE 3.87Å; L537-M540 WeakPolarHBondContact O-CB 3.34Å; L537-M540 PolarHBondContact O-N 3.27Å; L537-M541 WeakPolarHBondContact O-CG 3.5Å; L537-M541 PolarHBondContact O-N 2.88Å; L537-L618 HydrophobicContact CD1-CD2 4.35Å; L537-L622 HydrophobicContact CB-CD2 3.87Å
538V81.6Confident69.3Low4 Ų432.8 Ų32.82%0.02416%0.162CC..Hα-helixtrans-68.1-36.8178.8-175.90000110Q534 P535 M541 K542 L618 E621 L622 V625Q534-V538 HydrophobicContact CG-CB 3.8Å; Q534-V538 HydrophobicContact CG-CG1 3.81Å; Q534-V538 VanDerWaalsContact NE2-C 3.35Å; Q534-V538 PolarHBondContact NE2-O 2.95Å; P535-V538 HydrophobicContact CB-CB 4.37Å; P535-V538 HydrophobicContact CB-CG2 3.89Å; P535-V538 HydrophobicContact CG-CB 4.5Å; P535-V538 HydrophobicContact CG-CG2 3.84Å; P535-V538 PolarHBondContact O-N 3.36Å; V538-M541 PolarHBondContact O-N 3.16Å; V538-K542 WeakPolarHBondContact O-CG 3.48Å; V538-K542 PolarHBondContact O-N 2.93Å; V538-L618 HydrophobicContact CG2-CD1 3.58Å; V538-E621 HydrophobicContact CG1-CB 4.43Å; V538-E621 HydrophobicContact CG2-CB 3.78Å; V538-L622 HydrophobicContact CB-CD2 4.38Å; V538-L622 HydrophobicContact CG2-CD2 3.81Å; V538-L622 HydrophobicContact CG2-CG 4.23Å; V538-V625 HydrophobicContact CG1-CG2 3.64Å
539Q78Confident71Confident42 Ų4232.1 Ų32.120%0.19615%0.152CC..Hα-helixtrans-66.2-45.8173.2-172.558.244.800111.8P535 S536 L537 M541 K542 D543P535-Q539 PolarHBondContact O-N 3.4Å; S536-Q539 PolarHBondContact O-N 3.32Å; L537-Q539 VanDerWaalsContact C-N 3.31Å; L537-Q539 PolarHBondContact O-N 2.92Å; Q539-M541 VanDerWaalsContact C-N 3.27Å; Q539-M541 PolarHBondContact O-N 3.1Å; Q539-K542 PolarHBondContact O-N 3.07Å; Q539-K542 VanDerWaalsContact O-N 3.15Å; Q539-D543 PolarHBondContact NE2-OD1 3.45Å; Q539-D543 VanDerWaalsContact O-CG 3.25Å; Q539-D543 PolarHBondContact O-N 3.21Å
540M82.8Confident72.7Confident0 Ų032.2 Ų32.20%015%0.149CC..Hα-helixtrans-54.4-44.7173.8-178.5-170.674.400111.4F180 I216 S536 L537 D543 L544 I561 L606F180-M540 HydrophobicContact CD1-SD 4Å; F180-M540 HydrophobicContact CE1-SD 4.17Å; F180-M540 HydrophobicContact CG-SD 4.2Å; I216-M540 HydrophobicContact CD1-CE 4.24Å; I216-M540 HydrophobicContact CD1-SD 4.49Å; S536-M540 WeakPolarHBondContact O-CB 3.3Å; S536-M540 PolarHBondContact O-N 3.49Å; L537-M540 HydrophobicContact CD2-CE 3.87Å; L537-M540 WeakPolarHBondContact O-CB 3.34Å; L537-M540 PolarHBondContact O-N 3.27Å; M540-D543 PolarHBondContact O-N 3.02Å; M540-L544 HydrophobicContact CG-CD1 4.41Å; M540-L544 WeakPolarHBondContact O-CG 3.45Å; M540-L544 PolarHBondContact O-N 3.45Å; M540-I561 HydrophobicContact CG-CD1 3.77Å; M540-I561 HydrophobicContact SD-CD1 3.62Å; M540-I561 HydrophobicContact SD-CG1 4.1Å; M540-L606 HydrophobicContact CE-CD2 3.83Å
541M85.7Confident74Confident0 Ų031.4 Ų31.40%015%0.151CC..Hα-helixtrans-64.3-41.4177.4-71.7-53-60.100112.7L537 V538 Q539 D543 L544 V545 I604 L606 L622 V625 I626 F641 L643L537-M541 WeakPolarHBondContact O-CG 3.5Å; L537-M541 PolarHBondContact O-N 2.88Å; V538-M541 PolarHBondContact O-N 3.16Å; Q539-M541 VanDerWaalsContact C-N 3.27Å; Q539-M541 PolarHBondContact O-N 3.1Å; M541-D543 VanDerWaalsContact C-N 3.31Å; M541-D543 PolarHBondContact O-N 3.38Å; M541-L544 WeakPolarHBondContact O-CB 3.39Å; M541-L544 PolarHBondContact O-N 2.76Å; M541-L544 HydrophobicContact SD-CD1 3.83Å; M541-V545 WeakPolarHBondContact O-CG2 3.33Å; M541-V545 PolarHBondContact O-N 3.25Å; M541-I604 HydrophobicContact CE-CG2 4.33Å; M541-I604 HydrophobicContact SD-CG2 4.22Å; M541-L606 HydrophobicContact SD-CD1 4.08Å; M541-L606 HydrophobicContact SD-CD2 4.36Å; M541-L622 HydrophobicContact CB-CD2 4.22Å; M541-L622 HydrophobicContact CG-CD2 3.44Å; M541-L622 VanDerWaalsContact CG-CD2 3.44Å; M541-V625 HydrophobicContact CB-CB 4.46Å; M541-V625 HydrophobicContact CB-CG1 3.9Å; M541-I626 HydrophobicContact CE-CG2 3.8Å; M541-F641 HydrophobicContact CE-CE2 3.47Å; M541-F641 VanDerWaalsContact CE-CE2 3.47Å; M541-F641 HydrophobicContact CE-CZ 3.85Å; M541-L643 HydrophobicContact CE-CD1 3.86Å; M541-L643 HydrophobicContact CE-CD2 4.25Å; M541-L643 HydrophobicContact CE-CG 4.48Å; M541-L643 HydrophobicContact SD-CD1 4.3Å
542K80.7Confident75.4Confident71 Ų7135.5 Ų35.531%0.30918%0.179SC..Hα-helixtrans-62.4-41.7174.3-73.1-172-170164.80111.2Q534 V538 Q539 L544 V545 L546 V625Q534-K542 VanDerWaalsContact CD-NZ 3.33Å; V538-K542 WeakPolarHBondContact O-CG 3.48Å; V538-K542 PolarHBondContact O-N 2.93Å; Q539-K542 PolarHBondContact O-N 3.07Å; Q539-K542 VanDerWaalsContact O-N 3.15Å; K542-L544 VanDerWaalsContact C-N 3.3Å; K542-L544 PolarHBondContact O-N 3.46Å; K542-V545 PolarHBondContact O-N 2.88Å; K542-L546 WeakPolarHBondContact O-CB 3.09Å; K542-L546 VanDerWaalsContact O-CG 3.3Å; K542-L546 WeakPolarHBondContact O-CG 3.14Å; K542-L546 PolarHBondContact O-N 2.87Å; K542-V625 HydrophobicContact CB-CG1 4.36Å; K542-V625 HydrophobicContact CD-CG2 4.45Å; K542-V625 HydrophobicContact CG-CB 4.39Å; K542-V625 HydrophobicContact CG-CG1 3.65Å; K542-V625 HydrophobicContact CG-CG2 3.77Å
543D78.5Confident75.9Confident4 Ų436.5 Ų36.52%0.02119%0.188CC..Hα-helixtrans-67.3-33.2179.3-66-12000111.6Q539 M540 M541 A547 S555 A557 L558Q539-D543 PolarHBondContact NE2-OD1 3.45Å; Q539-D543 VanDerWaalsContact O-CG 3.25Å; Q539-D543 PolarHBondContact O-N 3.21Å; M540-D543 PolarHBondContact O-N 3.02Å; M541-D543 VanDerWaalsContact C-N 3.31Å; M541-D543 PolarHBondContact O-N 3.38Å; D543-A547 WeakPolarHBondContact O-CB 3.26Å; D543-A547 PolarHBondContact O-N 2.78Å; D543-S555 VanDerWaalsContact CG-CB 3.41Å; D543-S555 WeakPolarHBondContact OD2-CB 3.26Å; D543-S555 PolarHBondContact OD2-OG 2.86Å; D543-A557 WeakPolarHBondContact OD2-CB 3.42Å; D543-L558 HydrophobicContact CB-CD2 4.33Å; D543-L558 HydrophobicContact CB-CG 4.37Å
544L84.6Confident76.3Confident0 Ų036.3 Ų36.30%020%0.195CC..Hα-helixtrans-65.7-43.7171-77.2172.7000112.7I216 M540 M541 K542 A547 R548 L558 L598 Y599 I604 F641I216-L544 HydrophobicContact CD1-CD1 4.36Å; M540-L544 HydrophobicContact CG-CD1 4.41Å; M540-L544 WeakPolarHBondContact O-CG 3.45Å; M540-L544 PolarHBondContact O-N 3.45Å; M541-L544 WeakPolarHBondContact O-CB 3.39Å; M541-L544 PolarHBondContact O-N 2.76Å; M541-L544 HydrophobicContact SD-CD1 3.83Å; K542-L544 VanDerWaalsContact C-N 3.3Å; K542-L544 PolarHBondContact O-N 3.46Å; L544-A547 PolarHBondContact O-N 2.99Å; L544-R548 PolarHBondContact O-N 2.7Å; L544-L558 HydrophobicContact CD2-CD2 3.82Å; L544-L558 HydrophobicContact CG-CD2 3.96Å; L544-L598 HydrophobicContact CD2-CB 4.3Å; L544-L598 HydrophobicContact CD2-CD2 3.45Å; L544-L598 VanDerWaalsContact CD2-CD2 3.45Å; L544-L598 HydrophobicContact CD2-CG 3.67Å; L544-Y599 WeakPolarHBondContact O-CB 3.47Å; L544-I604 HydrophobicContact CD1-CG2 4.23Å; L544-F641 HydrophobicContact CB-CE1 4.1Å; L544-F641 HydrophobicContact CB-CZ 3.98Å
545V84.1Confident76Confident13 Ų1336.6 Ų36.68%0.07920%0.2CC..Hα-helixtrans-60.9-50.1175.1168.50000109.9M541 K542 A547 R548 E549 V625 I626 M640 F641M541-V545 WeakPolarHBondContact O-CG2 3.33Å; M541-V545 PolarHBondContact O-N 3.25Å; K542-V545 PolarHBondContact O-N 2.88Å; V545-A547 PolarHBondContact O-N 2.78Å; V545-R548 WeakPolarHBondContact O-CB 3.37Å; V545-R548 PolarHBondContact O-N 3.13Å; V545-R548 VanDerWaalsContact O-N 3.17Å; V545-E549 PolarHBondContact O-N 3.34Å; V545-V625 HydrophobicContact CG2-CG1 4.04Å; V545-I626 HydrophobicContact CG2-CG2 4.11Å; V545-M640 HydrophobicContact CB-CE 4.39Å; V545-M640 HydrophobicContact CB-SD 4.33Å; V545-M640 HydrophobicContact CG1-CE 3.35Å; V545-M640 HydrophobicContact CG1-SD 3.82Å; V545-M640 HydrophobicContact CG2-CE 4.12Å; V545-M640 HydrophobicContact CG2-SD 3.66Å; V545-F641 HydrophobicContact CG2-CE1 4.31Å; V545-F641 HydrophobicContact CG2-CZ 3.78Å
546L78.8Confident75.2Confident71 Ų7139 Ų3937%0.37222%0.215SC..Hα-helixtrans-60.3-43.9177.4-70.6171.9000111.8K542 R548 E549 N550K542-L546 WeakPolarHBondContact O-CB 3.09Å; K542-L546 VanDerWaalsContact O-CG 3.3Å; K542-L546 WeakPolarHBondContact O-CG 3.14Å; K542-L546 PolarHBondContact O-N 2.87Å; L546-R548 VanDerWaalsContact C-N 3.27Å; L546-R548 PolarHBondContact O-N 3.02Å; L546-E549 PolarHBondContact O-N 3.45Å; L546-E549 VanDerWaalsContact O-N 3.13Å; L546-N550 PolarHBondContact O-N 2.84Å
547A78.7Confident74.4Confident0 Ų039.1 Ų39.10%022%0.216CC..Hα-helixtrans-65.6-28.7178.500000113.1D543 L544 V545 N550 P551 A554 L558 Y599D543-A547 WeakPolarHBondContact O-CB 3.26Å; D543-A547 PolarHBondContact O-N 2.78Å; L544-A547 PolarHBondContact O-N 2.99Å; V545-A547 PolarHBondContact O-N 2.78Å; A547-N550 CarbonylContact O-C 3.06Å; A547-P551 WeakPolarHBondContact O-CA 3.45Å; A547-A554 HydrophobicContact CB-CB 3.67Å; A547-L558 HydrophobicContact CB-CD1 4.08Å; A547-Y599 HydrophobicContact CB-CD1 3.46Å; A547-Y599 VanDerWaalsContact CB-CD1 3.46Å; A547-Y599 HydrophobicContact CB-CE1 3.85Å; A547-Y599 HydrophobicContact CB-CG 3.85Å; A547-Y599 WeakPolarHBondContact O-CD2 3.4Å; A547-Y599 VanDerWaalsContact O-CE2 3.32Å; A547-Y599 WeakPolarHBondContact O-CE2 3.46Å
548R80.6Confident73.8Confident62 Ų6240.4 Ų40.423%0.23422%0.223CC..Hα-helixtrans-67.6-37.9172.8-168.9175.8-177.3107.5-12.1111.7L544 V545 L546 Y599 S601 S639L544-R548 PolarHBondContact O-N 2.7Å; V545-R548 WeakPolarHBondContact O-CB 3.37Å; V545-R548 PolarHBondContact O-N 3.13Å; V545-R548 VanDerWaalsContact O-N 3.17Å; L546-R548 VanDerWaalsContact C-N 3.27Å; L546-R548 PolarHBondContact O-N 3.02Å; R548-Y599 HydrophobicContact CB-CD2 4.44Å; R548-Y599 WeakPolarHBondContact CD-O 3.29Å; R548-Y599 WeakPolarHBondContact CG-O 3.37Å; R548-Y599 PolarHBondContact NH1-O 2.91Å; R548-S601 PolarHBondContact NH1-O 3.39Å; R548-S639 VanDerWaalsContact CZ-O 3.28Å; R548-S639 PolarHBondContact NE-O 3.34Å; R548-S639 PolarHBondContact NH2-O 2.87Å
549E77.1Confident73.1Confident78 Ų7846 Ų4636%0.36425%0.253SS..Hα-helixtrans-78.7-47179.1-65.7-178.5166.900111.9V545 L546V545-E549 PolarHBondContact O-N 3.34Å; L546-E549 PolarHBondContact O-N 3.45Å; L546-E549 VanDerWaalsContact O-N 3.13Å
550N75.2Confident72.7Confident51 Ų5144.9 Ų44.927%0.27325%0.252SS..  trans-139.8101.4176.5-173.5-0.7000111.5L546 A547 S552 E553L546-N550 PolarHBondContact O-N 2.84Å; A547-N550 CarbonylContact O-C 3.06Å; N550-S552 VanDerWaalsContact CG-OG 3.31Å; N550-S552 PolarHBondContact ND2-OG 3.1Å; N550-S552 PolarHBondContact O-N 3.37Å; N550-S552 PolarHBondContact OD1-N 3.24Å; N550-S552 PolarHBondContact OD1-OG 3.46Å; N550-E553 HydrophobicContact CB-CB 4.33Å; N550-E553 HydrophobicContact CB-CG 4.42Å; N550-E553 VanDerWaalsContact ND2-CD 3.31Å; N550-E553 WeakPolarHBondContact ND2-CG 3.46Å; N550-E553 PolarHBondContact ND2-OE1 3.24Å; N550-E553 PolarHBondContact O-N 3.45Å; N550-E553 VanDerWaalsContact O-N 3.1Å
551P71.9Confident72.6Confident68 Ų6845.9 Ų45.944%0.44226%0.257SS..G310 helixtrans-55.3-26.3176.4-31.538.3000115.4A547 E553 A554 Y599A547-P551 WeakPolarHBondContact O-CA 3.45Å; P551-E553 VanDerWaalsContact C-N 3.34Å; P551-A554 WeakPolarHBondContact O-CB 3.37Å; P551-Y599 WeakPolarHBondContact CB-OH 3.38Å; P551-Y599 HydrophobicContact CG-CE2 4.02Å
552S70.4Confident72.5Confident103 Ų10349.1 Ų49.172%0.7228%0.277SS*.G310 helixtrans-78.5-17.4-17863.10000113.6N550N550-S552 VanDerWaalsContact CG-OG 3.31Å; N550-S552 PolarHBondContact ND2-OG 3.1Å; N550-S552 PolarHBondContact O-N 3.37Å; N550-S552 PolarHBondContact OD1-N 3.24Å; N550-S552 PolarHBondContact OD1-OG 3.46Å
553E61.7Low72.7Confident126 Ų12649.8 Ų49.859%0.58928%0.278SS*.G310 helixtrans-95.10.9177.7-76.3175.9-145.400113.5N550 P551 S555N550-E553 HydrophobicContact CB-CB 4.33Å; N550-E553 HydrophobicContact CB-CG 4.42Å; N550-E553 VanDerWaalsContact ND2-CD 3.31Å; N550-E553 WeakPolarHBondContact ND2-CG 3.46Å; N550-E553 PolarHBondContact ND2-OE1 3.24Å; N550-E553 PolarHBondContact O-N 3.45Å; N550-E553 VanDerWaalsContact O-N 3.1Å; P551-E553 VanDerWaalsContact C-N 3.34Å; E553-S555 PolarHBondContact O-N 2.81Å; E553-S555 VanDerWaalsContact O-N 3.15Å
554A60.1Low72.9Confident38 Ų3851.4 Ų51.431%0.31429%0.285SS..  trans-58.3119.3-177.700000111.5A547 P551 L558A547-A554 HydrophobicContact CB-CB 3.67Å; P551-A554 WeakPolarHBondContact O-CB 3.37Å; A554-L558 HydrophobicContact CB-CD1 4.01Å
555S58.8Low72.6Confident25 Ų2555.7 Ų55.718%0.17531%0.312CS..  trans-68.7155.4-174.2139.60000113.1D543 E553 A557 L558D543-S555 VanDerWaalsContact CG-CB 3.41Å; D543-S555 WeakPolarHBondContact OD2-CB 3.26Å; D543-S555 PolarHBondContact OD2-OG 2.86Å; E553-S555 PolarHBondContact O-N 2.81Å; E553-S555 VanDerWaalsContact O-N 3.15Å; S555-A557 PolarHBondContact O-N 3.11Å; S555-A557 PolarHBondContact OG-N 2.98Å; S555-A557 VanDerWaalsContact OG-N 3.11Å; S555-L558 PolarHBondContact O-N 3.3Å
556P56Low72Confident58 Ų5856.1 Ų56.138%0.37732%0.316SS..G310 helixtrans-55.5-14.7172.7-23.132.4000115.1L525 L558 N559L525-P556 HydrophobicContact CD2-CB 4.09Å; L525-P556 HydrophobicContact CD2-CG 4.08Å; P556-L558 PolarHBondContact O-N 2.85Å; P556-N559 WeakPolarHBondContact O-CB 3.27Å; P556-N559 VanDerWaalsContact O-CG 3.28Å; P556-N559 PolarHBondContact O-N 2.65Å; P556-N559 PolarHBondContact O-ND2 2.82Å
557A56.7Low71.2Confident6 Ų655.9 Ų55.95%0.0532%0.324CS..G310 helixtrans-62.7-28.6177.700000112.5D543 S555 N559 G560D543-A557 WeakPolarHBondContact OD2-CB 3.42Å; S555-A557 PolarHBondContact O-N 3.11Å; S555-A557 PolarHBondContact OG-N 2.98Å; S555-A557 VanDerWaalsContact OG-N 3.11Å; A557-N559 PolarHBondContact O-N 2.66Å; A557-G560 PolarHBondContact O-N 3.21Å
558L67.4Low70.1Confident29 Ų2958.2 Ų58.215%0.15234%0.34CS..G310 helixtrans-65.8-19.4172.2-61.5-175.4000112.5D543 L544 A547 A554 S555 P556 G560 I561 L598D543-L558 HydrophobicContact CB-CD2 4.33Å; D543-L558 HydrophobicContact CB-CG 4.37Å; L544-L558 HydrophobicContact CD2-CD2 3.82Å; L544-L558 HydrophobicContact CG-CD2 3.96Å; A547-L558 HydrophobicContact CB-CD1 4.08Å; A554-L558 HydrophobicContact CB-CD1 4.01Å; S555-L558 PolarHBondContact O-N 3.3Å; P556-L558 PolarHBondContact O-N 2.85Å; L558-G560 PolarHBondContact O-N 3.06Å; L558-G560 VanDerWaalsContact O-N 3.16Å; L558-I561 HydrophobicContact CD2-CD1 3.74Å; L558-I561 WeakPolarHBondContact O-CB 3.3Å; L558-I561 PolarHBondContact O-N 3.49Å; L558-L598 HydrophobicContact CD2-CD2 4.46Å
559N66.4Low68.6Low122 Ų12259.1 Ų59.165%0.65235%0.349SS*.G310 helixtrans-63-21.5176.7-63.8-24.4000112.6P556 A557 I561P556-N559 WeakPolarHBondContact O-CB 3.27Å; P556-N559 VanDerWaalsContact O-CG 3.28Å; P556-N559 PolarHBondContact O-N 2.65Å; P556-N559 PolarHBondContact O-ND2 2.82Å; A557-N559 PolarHBondContact O-N 2.66Å; N559-I561 PolarHBondContact O-N 3.37Å
560G69.6Low67Low17 Ų1758.9 Ų58.918%0.17536%0.357CS..G310 helixtrans-74.3-1417400000113.6A557 L558A557-G560 PolarHBondContact O-N 3.21Å; L558-G560 PolarHBondContact O-N 3.06Å; L558-G560 VanDerWaalsContact O-N 3.16Å
561I80.9Confident65.1Low21 Ų2161.2 Ų61.211%0.10838%0.377CS..EExtended strand (participates in β ladder)trans-90.8121.8-177.6-52.3177000109.2Y178 S179 F180 I216 M540 L558 N559 L598Y178-I561 HydrophobicContact CD1-CG2 3.76Å; Y178-I561 HydrophobicContact CG-CG2 4.08Å; S179-I561 WeakPolarHBondContact O-CA 3.35Å; F180-I561 HydrophobicContact CD2-CG1 3.95Å; F180-I561 HydrophobicContact CE2-CG1 4.48Å; I216-I561 HydrophobicContact CD1-CD1 4.48Å; M540-I561 HydrophobicContact CG-CD1 3.77Å; M540-I561 HydrophobicContact SD-CD1 3.62Å; M540-I561 HydrophobicContact SD-CG1 4.1Å; L558-I561 HydrophobicContact CD2-CD1 3.74Å; L558-I561 WeakPolarHBondContact O-CB 3.3Å; L558-I561 PolarHBondContact O-N 3.49Å; N559-I561 PolarHBondContact O-N 3.37Å; I561-L598 HydrophobicContact CB-CD2 4.42Å; I561-L598 HydrophobicContact CD1-CD2 3.41Å; I561-L598 VanDerWaalsContact CD1-CD2 3.41Å; I561-L598 HydrophobicContact CG2-CD2 3.97Å
562V83.3Confident63.6Low69 Ų6963.8 Ų63.842%0.41839%0.387SS..EExtended strand (participates in β ladder)trans-113.1122.4-176.5-178.10000110.1Y178 S179Y178-V562 CarbonylContact C-O 3.52Å; Y178-V562 VanDerWaalsContact CA-O 3.3Å; Y178-V562 WeakPolarHBondContact CA-O 3.43Å; S179-V562 PolarHBondContact N-O 3.17Å; S179-V562 PolarHBondContact O-N 3.37Å; S179-V562 PolarHBondContact OG-O 2.67Å
563R84.9Confident62.3Low84 Ų8467.7 Ų67.732%0.31739%0.386SS..EExtended strand (participates in β ladder)trans-68.2137.7174.6-172.2178.9-177.6-134.14.7111E176 Y178E176-R563 IonicContact OE1-CZ 2.63Å; E176-R563 IonicContact OE1-NE 3.28Å; E176-R563 PolarHBondContact OE1-NE 2.87Å; E176-R563 IonicContact OE1-NH2 2.92Å; E176-R563 PolarHBondContact OE1-NH2 2.97Å; E176-R563 IonicContact OE2-NE 2.7Å; Y178-R563 HydrophobicContact CD1-CB 3.94Å; Y178-R563 HydrophobicContact CD1-CG 4.38Å; Y178-R563 HydrophobicContact CE1-CB 3.71Å; Y178-R563 HydrophobicContact CE1-CG 3.91Å
564K84.7Confident61.4Low38 Ų3867 Ų6717%0.16539%0.385CS..EExtended strand (participates in β ladder)trans-11793.6175.1-58.8-57-177.7-179.40109.4V177 S179 S185 A188 A189 A192V177-K564 HydrophobicContact CB-CB 4.34Å; V177-K564 HydrophobicContact CG1-CB 4.26Å; V177-K564 PolarHBondContact O-N 3.44Å; S179-K564 VanDerWaalsContact OG-CE 3.26Å; S179-K564 WeakPolarHBondContact OG-CE 3.47Å; S185-K564 WeakPolarHBondContact O-CE 3.5Å; S185-K564 WeakPolarHBondContact OG-CE 3.32Å; S185-K564 PolarHBondContact OG-NZ 2.91Å; A188-K564 HydrophobicContact CB-CG 3.83Å; A189-K564 HydrophobicContact CB-CD 4.45Å; A192-K564 HydrophobicContact CB-CB 4.33Å
565P78.3Confident60.6Low90 Ų9067 Ų6758%0.58439%0.39SS*.  trans-67.9146.2179.529.5-33.9000110.6
566C71Confident59.9Low22 Ų2271.1 Ų71.115%0.14941%0.406CS..  trans-78.7124.3171.2-178.50000109.7A192 D193 S568 L569A192-C566 WeakPolarHBondContact O-CB 3.05Å; A192-C566 PolarHBondContact O-SG 3.13Å; D193-C566 WeakPolarHBondContact OD1-CA 3.16Å; C566-S568 VanDerWaalsContact C-N 3.3Å; C566-S568 PolarHBondContact O-N 3.23Å; C566-S568 PolarHBondContact SG-OG 3.31Å; C566-L569 HydrophobicContact CB-CD1 4.18Å
567A62.3Low59.1Low66 Ų6670.7 Ų70.755%0.54540%0.4SS..G310 helixtrans-67.9-30.8179.900000112.3D193 L569 S570D193-A567 PolarHBondContact OD1-N 2.9Å; A567-L569 PolarHBondContact O-N 3.12Å; A567-S570 PolarHBondContact O-OG 3.15Å
568S54.1Low58.4Low49 Ų4973.9 Ų73.934%0.34342%0.423SS..G310 helixtrans-79.1-15-173.870.40000115.2V198 C566V198-S568 WeakPolarHBondContact CG1-OG 3.48Å; V198-S568 VanDerWaalsContact CG2-OG 3.24Å; V198-S568 WeakPolarHBondContact CG2-OG 3.43Å; C566-S568 VanDerWaalsContact C-N 3.3Å; C566-S568 PolarHBondContact O-N 3.23Å; C566-S568 PolarHBondContact SG-OG 3.31Å
569L50.1Low57.4Low81 Ų8182 Ų8242%0.42445%0.451SS..G310 helixtrans-94.9-6.2177.8-77.3162.9000112.9K201 C566 A567 S571K201-L569 HydrophobicContact CB-CD1 4.49Å; K201-L569 HydrophobicContact CD-CD1 4.07Å; C566-L569 HydrophobicContact CB-CD1 4.18Å; A567-L569 PolarHBondContact O-N 3.12Å; L569-S571 PolarHBondContact O-N 3.29Å; L569-S571 VanDerWaalsContact O-N 3.12Å
570S42.7Very low56.6Low74 Ų7484.5 Ų84.552%0.51746%0.457SS..  trans-78.515.4178.869.60000114A567 N572A567-S570 PolarHBondContact O-OG 3.15Å; S570-N572 VanDerWaalsContact C-N 3.25Å; S570-N572 PolarHBondContact O-N 3.28Å
571S36.4Very low55.2Low99 Ų9988.4 Ų88.469%0.69247%0.473SS*.  trans-83.457.8-177.668.80000113L569L569-S571 PolarHBondContact O-N 3.29Å; L569-S571 VanDerWaalsContact O-N 3.12Å
572N40.5Very low53.1Low123 Ų12399.1 Ų99.166%0.65851%0.511SS*.  trans-96.397.8142.6-84.8-13.5000105.2S570 L574 G575 E576S570-N572 VanDerWaalsContact C-N 3.25Å; S570-N572 PolarHBondContact O-N 3.28Å; N572-L574 PolarHBondContact O-N 3.47Å; N572-G575 WeakPolarHBondContact O-CA 3.34Å; N572-G575 PolarHBondContact O-N 2.94Å; N572-E576 PolarHBondContact O-N 3.33Å
573W43.2Very low50.9Low185 Ų185101.3 Ų101.370%0.70152%0.52SS*.Hα-helixtrans-53.2-26.2173.196.8-62.7000111.8E576 L577W573-E576 PolarHBondContact O-N 3.48Å; W573-L577 HydrophobicContact CD2-CD1 3.7Å; W573-L577 HydrophobicContact CE3-CD1 3.68Å; W573-L577 HydrophobicContact CE3-CG 4.39Å; W573-L577 HydrophobicContact CH2-CD1 3.59Å; W573-L577 HydrophobicContact CZ2-CD1 3.58Å; W573-L577 HydrophobicContact CZ3-CD1 3.65Å; W573-L577 HydrophobicContact CZ3-CG 4.47Å; W573-L577 PolarHBondContact O-N 3.26Å
574L41.5Very low48.3Very low110 Ų110103.3 Ų103.358%0.57654%0.543SS*.Hα-helixtrans-64.4-34.6171.1-80.4159.5000113.2N572 L577 S578N572-L574 PolarHBondContact O-N 3.47Å; L574-L577 PolarHBondContact O-N 2.94Å; L574-S578 PolarHBondContact O-N 3.16Å
575G43.8Very low45.8Very low40 Ų40105.5 Ų105.541%0.41258%0.577SS.*Hα-helixtrans-66.8-36.7174.600000112.1N572 S578N572-G575 WeakPolarHBondContact O-CA 3.34Å; N572-G575 PolarHBondContact O-N 2.94Å; G575-S578 PolarHBondContact O-OG 2.87Å
576E43.1Very low43.2Very low110 Ų110103.4 Ų103.451%0.51457%0.572SS.*Hα-helixtrans-75.5-37.1174.2-68.2-167.1151.200112.6N572 W573 S578 R579N572-E576 PolarHBondContact O-N 3.33Å; W573-E576 PolarHBondContact O-N 3.48Å; E576-S578 VanDerWaalsContact C-N 3.26Å; E576-S578 PolarHBondContact O-N 3.4Å; E576-R579 WeakPolarHBondContact O-CB 3.3Å; E576-R579 PolarHBondContact O-N 3.35Å
577L40.7Very low41.2Very low49 Ų49106.9 Ų106.926%0.25760%0.596SS.*Hα-helixtrans-63.5-28.5173.7-81.8167000113.5W573 L574 R579 F580 I581W573-L577 HydrophobicContact CD2-CD1 3.7Å; W573-L577 HydrophobicContact CE3-CD1 3.68Å; W573-L577 HydrophobicContact CE3-CG 4.39Å; W573-L577 HydrophobicContact CH2-CD1 3.59Å; W573-L577 HydrophobicContact CZ2-CD1 3.58Å; W573-L577 HydrophobicContact CZ3-CD1 3.65Å; W573-L577 HydrophobicContact CZ3-CG 4.47Å; W573-L577 PolarHBondContact O-N 3.26Å; L574-L577 PolarHBondContact O-N 2.94Å; L577-R579 PolarHBondContact O-N 3.17Å; L577-R579 VanDerWaalsContact O-N 3.09Å; L577-F580 PolarHBondContact O-N 2.86Å; L577-I581 HydrophobicContact CD2-CD1 4.07Å; L577-I581 PolarHBondContact O-N 3.24Å
578S41.2Very low39.4Very low74 Ų74108.2 Ų108.252%0.51762%0.617SS.*THydrogen-bonded Turntrans-58.4-23176.976.80000113.2L574 G575 E576 F580L574-S578 PolarHBondContact O-N 3.16Å; G575-S578 PolarHBondContact O-OG 2.87Å; E576-S578 VanDerWaalsContact C-N 3.26Å; E576-S578 PolarHBondContact O-N 3.4Å; S578-F580 VanDerWaalsContact C-N 3.32Å
579R45.9Very low38Very low200 Ų200108.8 Ų108.876%0.75563%0.63SS**THydrogen-bonded Turntrans-73.2-24.5174.1-57.9-176.8-177.9167.93.7112.9E576 L577E576-R579 WeakPolarHBondContact O-CB 3.3Å; E576-R579 PolarHBondContact O-N 3.35Å; L577-R579 PolarHBondContact O-N 3.17Å; L577-R579 VanDerWaalsContact O-N 3.09Å
580F49.5Very low36.8Very low173 Ų173111.5 Ų111.576%0.75965%0.65SS**THydrogen-bonded Turntrans-108.4-25.1-174.8-62.2-76.3000113.3L577 S578L577-F580 PolarHBondContact O-N 2.86Å; S578-F580 VanDerWaalsContact C-N 3.32Å
581I42.2Very low36.1Very low100 Ų100111 Ų11151%0.51366%0.656SS.*  trans-126.9108.9-176.4-54.5175.2000109.1L577 I583L577-I581 HydrophobicContact CD2-CD1 4.07Å; L577-I581 PolarHBondContact O-N 3.24Å; I581-I583 PolarHBondContact O-N 3.41Å
582R34.9Very low35.8Very low245 Ų245115 Ų11593%0.92566%0.663SS**  trans-67.6113.3168.4-94.4-175.4174.9-179.4-1109P584R582-P584 WeakPolarHBondContact O-CD 3.43Å
583I38.7Very low35.4Very low116 Ų116114.9 Ų114.960%0.59566%0.663SS**  trans-85.6112.2171.6-57.2176.9000108.5I581 G586I581-I583 PolarHBondContact O-N 3.41Å; I583-G586 PolarHBondContact O-N 3.34Å
584P29.5Very low35.2Very low125 Ų125113.4 Ų113.481%0.81266%0.664SS**THydrogen-bonded Turntrans-72.4134.3178.3-9.626.7000110.3R582 G586R582-P584 WeakPolarHBondContact O-CD 3.43Å; P584-G586 VanDerWaalsContact C-N 3.28Å
585G31.6Very low35.3Very low84 Ų84116.5 Ų116.587%0.86667%0.673SS**THydrogen-bonded Turntrans88.3-9-173.900000114.1S587G585-S587 PolarHBondContact O-N 3.13Å; G585-S587 VanDerWaalsContact O-N 3.15Å
586G24.5Very low35.7Very low46 Ų46120.6 Ų120.647%0.47468%0.677SS.*  trans-72.399.4158.200000108.4I583 P584 G588I583-G586 PolarHBondContact O-N 3.34Å; P584-G586 VanDerWaalsContact C-N 3.28Å; G586-G588 PolarHBondContact O-N 2.91Å
587S29.1Very low36.8Very low96 Ų96116.4 Ų116.467%0.67166%0.66SS**  trans-46.3112.6152.147.40000106.8G585 G589G585-S587 PolarHBondContact O-N 3.13Å; G585-S587 VanDerWaalsContact O-N 3.15Å; S587-G589 PolarHBondContact O-N 3.21Å
588G24.8Very low38.4Very low94 Ų94115 Ų11597%0.96965%0.652SS**THydrogen-bonded Turntrans-67.756.6-176.500000113.2G586G586-G588 PolarHBondContact O-N 2.91Å
589G23.8Very low40Very low61 Ų61113.1 Ų113.163%0.62963%0.634SS**THydrogen-bonded Turntrans-147.418.8-179.300000112.6S587 G591S587-G589 PolarHBondContact O-N 3.21Å; G589-G591 PolarHBondContact O-N 2.96Å
590V26.2Very low41.7Very low138 Ų138110.2 Ų110.284%0.83663%0.627SS**SBendtrans-91.490.4167.5-177.10000107
591G27.2Very low43.4Very low62 Ų62102.2 Ų102.264%0.63959%0.592SS**  trans100.428.3161.700000117.1G589 N593G589-G591 PolarHBondContact O-N 2.96Å; G591-N593 PolarHBondContact O-N 3.1Å
592E29Very low45.6Very low183 Ų183101 Ų10186%0.85559%0.587SS**SBendtrans-55.6104.6144-84.1-165165.700105E594E592-E594 PolarHBondContact O-N 2.82Å
593N33.6Very low48.2Very low121 Ų12190.4 Ų90.465%0.64755%0.547SS*.  trans-21.5107.1175.3-72.5-54000109.1G591 K595G591-N593 PolarHBondContact O-N 3.1Å; N593-K595 PolarHBondContact O-N 2.98Å
594E38Very low50.8Low155 Ų15584.9 Ų84.972%0.72452%0.519SS*.  trans-48107.7162.4-79.6-173.9154.500103.4E592 Y596E592-E594 PolarHBondContact O-N 2.82Å; E594-Y596 PolarHBondContact O-N 2.7Å
595K44.2Very low53.9Low175 Ų17579 Ų7976%0.76148%0.48SS*.  trans-63.390.7169.2-76.2179.4-179.6175.50101.4N593 S597N593-K595 PolarHBondContact O-N 2.98Å; K595-S597 WeakPolarHBondContact O-CA 3.48Å; K595-S597 PolarHBondContact O-N 3.21Å; K595-S597 PolarHBondContact O-OG 3.33Å
596Y51.9Low56.8Low125 Ų12575 Ų7549%0.4944%0.439SS..  trans-46.4103.5164.2-85.3-83.8000103.4E176 Y178 E594 L598E176-Y596 HydrophobicContact CG-CG 4.47Å; E176-Y596 WeakPolarHBondContact OE1-CB 3.06Å; E176-Y596 WeakPolarHBondContact OE1-CD2 3.37Å; E176-Y596 WeakPolarHBondContact OE2-CB 3.17Å; Y178-Y596 PolarHBondContact OH-O 3.5Å; Y178-Y596 VanDerWaalsContact OH-O 3.14Å; E594-Y596 PolarHBondContact O-N 2.7Å; Y596-L598 PolarHBondContact O-N 3.28Å; Y596-L598 VanDerWaalsContact O-N 3.14Å
597S66.4Low59.9Low23 Ų2372.9 Ų72.916%0.16142%0.417CS..  trans-73.6121.9-169.2-44.90000103.1K595 Y599 K600K595-S597 WeakPolarHBondContact O-CA 3.48Å; K595-S597 PolarHBondContact O-N 3.21Å; K595-S597 PolarHBondContact O-OG 3.33Å; S597-Y599 WeakPolarHBondContact CB-OH 3.45Å; S597-Y599 PolarHBondContact O-N 2.91Å; S597-K600 WeakPolarHBondContact O-CB 3.25Å; S597-K600 PolarHBondContact O-N 2.96Å
598L75.4Confident62.6Low18 Ų1868.8 Ų68.89%0.09439%0.388CS..G310 helixtrans-37.6-39.8-174.1-176.870.7000113.6Y178 S214 I216 L544 L558 I561 Y596 I604Y178-L598 HydrophobicContact CD1-CD1 3.85Å; Y178-L598 HydrophobicContact CD2-CD1 3.42Å; Y178-L598 VanDerWaalsContact CD2-CD1 3.42Å; Y178-L598 HydrophobicContact CE1-CD1 3.8Å; Y178-L598 HydrophobicContact CE2-CD1 3.39Å; Y178-L598 HydrophobicContact CG-CD1 3.66Å; S214-L598 VanDerWaalsContact CB-CD1 3.47Å; S214-L598 PolarHBondContact OG-O 2.63Å; I216-L598 HydrophobicContact CD1-CD1 4.07Å; I216-L598 HydrophobicContact CD1-CD2 4.36Å; I216-L598 HydrophobicContact CG1-CD1 4.21Å; L544-L598 HydrophobicContact CD2-CB 4.3Å; L544-L598 HydrophobicContact CD2-CD2 3.45Å; L544-L598 VanDerWaalsContact CD2-CD2 3.45Å; L544-L598 HydrophobicContact CD2-CG 3.67Å; L558-L598 HydrophobicContact CD2-CD2 4.46Å; I561-L598 HydrophobicContact CB-CD2 4.42Å; I561-L598 HydrophobicContact CD1-CD2 3.41Å; I561-L598 VanDerWaalsContact CD1-CD2 3.41Å; I561-L598 HydrophobicContact CG2-CD2 3.97Å; Y596-L598 PolarHBondContact O-N 3.28Å; Y596-L598 VanDerWaalsContact O-N 3.14Å; L598-I604 WeakPolarHBondContact O-CD1 3.34Å
599Y74.3Confident65.1Low36 Ų3664.5 Ų64.514%0.14134%0.343CS..G310 helixtrans-80.1-7.7-178.751.9-100000116.2L544 A547 R548 P551 S597L544-Y599 WeakPolarHBondContact O-CB 3.47Å; A547-Y599 HydrophobicContact CB-CD1 3.46Å; A547-Y599 VanDerWaalsContact CB-CD1 3.46Å; A547-Y599 HydrophobicContact CB-CE1 3.85Å; A547-Y599 HydrophobicContact CB-CG 3.85Å; A547-Y599 WeakPolarHBondContact O-CD2 3.4Å; A547-Y599 VanDerWaalsContact O-CE2 3.32Å; A547-Y599 WeakPolarHBondContact O-CE2 3.46Å; R548-Y599 HydrophobicContact CB-CD2 4.44Å; R548-Y599 WeakPolarHBondContact CD-O 3.29Å; R548-Y599 WeakPolarHBondContact CG-O 3.37Å; R548-Y599 PolarHBondContact NH1-O 2.91Å; P551-Y599 WeakPolarHBondContact CB-OH 3.38Å; P551-Y599 HydrophobicContact CG-CE2 4.02Å; S597-Y599 WeakPolarHBondContact CB-OH 3.45Å; S597-Y599 PolarHBondContact O-N 2.91Å
600K81.2Confident67.2Low139 Ų13961.7 Ų61.760%0.60431%0.314SS*.G310 helixtrans-88.4-13.1179.2-71.3-176.9179.8-179.50113.8S597S597-K600 WeakPolarHBondContact O-CB 3.25Å; S597-K600 PolarHBondContact O-N 2.96Å
601S85.7Confident68.7Low5 Ų558.7 Ų58.74%0.03530%0.299CS..SBendtrans-62.3155.7178.6-56.40000112.4T212 S214 R548 Y603T212-S601 WeakPolarHBondContact OG1-CA 2.95Å; S214-S601 PolarHBondContact N-OG 3.49Å; S214-S601 PolarHBondContact OG-OG 3.02Å; R548-S601 PolarHBondContact NH1-O 3.39Å; S601-Y603 VanDerWaalsContact C-N 3.32Å; S601-Y603 VanDerWaalsContact CB-O 3.29Å; S601-Y603 WeakPolarHBondContact CB-O 3.43Å
602D87.9Confident70.1Confident74 Ų7457 Ų5740%0.39628%0.282SS..SBendtrans-67.6-38.3172.2-57-58.5000110.9T212 F641 K642T212-D602 PolarHBondContact N-OD2 3.39Å; T212-D602 WeakPolarHBondContact O-CB 3.34Å; T212-D602 PolarHBondContact O-N 3.22Å; T212-D602 PolarHBondContact OG1-N 3.05Å; T212-D602 PolarHBondContact OG1-OD2 3.25Å; D602-F641 CarbonylContact O-C 3.55Å; D602-F641 WeakPolarHBondContact O-CA 3.29Å; D602-K642 PolarHBondContact O-N 3.12Å
603Y90.5Very high71.9Confident22 Ų2248.8 Ų48.89%0.08625%0.245CC..EExtended strand (participates in β ladder)trans-118.3140.9177.3-64.2-87.4000112.3I173 C211 T212 A213 S214 S601 K642 K644I173-Y603 HydrophobicContact CG1-CD2 4.47Å; C211-Y603 HydrophobicContact CB-CD2 3.88Å; C211-Y603 HydrophobicContact CB-CE2 3.54Å; T212-Y603 PolarHBondContact O-N 2.95Å; A213-Y603 CarbonylContact C-O 3.58Å; A213-Y603 VanDerWaalsContact CA-O 3.31Å; A213-Y603 WeakPolarHBondContact CA-O 3.42Å; S214-Y603 PolarHBondContact N-O 3.4Å; S601-Y603 VanDerWaalsContact C-N 3.32Å; S601-Y603 VanDerWaalsContact CB-O 3.29Å; S601-Y603 WeakPolarHBondContact CB-O 3.43Å; Y603-K642 CarbonylContact C-O 3.54Å; Y603-K642 VanDerWaalsContact CA-O 3.23Å; Y603-K642 WeakPolarHBondContact CA-O 3.16Å; Y603-K642 HydrophobicContact CD1-CB 3.45Å; Y603-K642 VanDerWaalsContact CD1-CB 3.45Å; Y603-K642 HydrophobicContact CD1-CD 4.27Å; Y603-K642 HydrophobicContact CD1-CG 4.48Å; Y603-K642 HydrophobicContact CE1-CB 3.48Å; Y603-K642 VanDerWaalsContact CE1-CB 3.48Å; Y603-K642 HydrophobicContact CE1-CD 3.44Å; Y603-K642 VanDerWaalsContact CE1-CD 3.44Å; Y603-K642 HydrophobicContact CE1-CG 4.1Å; Y603-K642 HydrophobicContact CG-CB 4.38Å; Y603-K644 HydrophobicContact CD1-CD 3.85Å; Y603-K644 HydrophobicContact CD1-CG 4.22Å; Y603-K644 HydrophobicContact CE1-CD 4.02Å
604I92.3Very high74Confident0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-105.2125157.5-60.4-59.2000106.7I216 M541 L544 L598 L606 F641 K642 L643 K644I216-I604 HydrophobicContact CD1-CG2 4.22Å; M541-I604 HydrophobicContact CE-CG2 4.33Å; M541-I604 HydrophobicContact SD-CG2 4.22Å; L544-I604 HydrophobicContact CD1-CG2 4.23Å; L598-I604 WeakPolarHBondContact O-CD1 3.34Å; I604-L606 HydrophobicContact CG2-CD2 3.92Å; I604-F641 HydrophobicContact CB-CD2 3.86Å; I604-F641 HydrophobicContact CB-CE2 4.09Å; I604-F641 HydrophobicContact CB-CG 4.39Å; I604-F641 HydrophobicContact CD1-CD1 4.4Å; I604-F641 HydrophobicContact CD1-CG 4.38Å; I604-F641 HydrophobicContact CG1-CB 4.04Å; I604-F641 HydrophobicContact CG1-CD1 3.77Å; I604-F641 HydrophobicContact CG1-CD2 3.31Å; I604-F641 HydrophobicContact CG1-CE1 4.04Å; I604-F641 HydrophobicContact CG1-CE2 3.58Å; I604-F641 HydrophobicContact CG1-CG 3.43Å; I604-F641 VanDerWaalsContact CG1-CG 3.43Å; I604-F641 HydrophobicContact CG1-CZ 3.96Å; I604-K642 PolarHBondContact N-O 3.22Å; I604-L643 HydrophobicContact CB-CD1 4.47Å; I604-L643 HydrophobicContact CG2-CD1 4.29Å; I604-L643 CarbonylContact O-C 3.51Å; I604-L643 WeakPolarHBondContact O-CA 3.44Å; I604-K644 PolarHBondContact O-N 2.97Å
605I93.5Very high76Confident1 Ų135.9 Ų35.91%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-120118.9-177.8-52.1-171.8000109F168 I173 A213 S214 V215 I216 V607 K644 I646F168-I605 HydrophobicContact CD1-CD1 4.04Å; F168-I605 HydrophobicContact CE1-CD1 3.44Å; F168-I605 VanDerWaalsContact CE1-CD1 3.44Å; F168-I605 HydrophobicContact CE1-CG2 3.92Å; F168-I605 HydrophobicContact CZ-CD1 4.02Å; F168-I605 HydrophobicContact CZ-CG2 4.07Å; I173-I605 HydrophobicContact CD1-CD1 3.45Å; I173-I605 VanDerWaalsContact CD1-CD1 3.45Å; A213-I605 HydrophobicContact CB-CD1 3.85Å; A213-I605 HydrophobicContact CB-CG1 4.2Å; S214-I605 PolarHBondContact O-N 3.49Å; V215-I605 CarbonylContact C-O 3.57Å; V215-I605 WeakPolarHBondContact CA-O 3.3Å; V215-I605 HydrophobicContact CG2-CB 4.06Å; V215-I605 HydrophobicContact CG2-CD1 4.28Å; V215-I605 HydrophobicContact CG2-CG1 4.47Å; I216-I605 PolarHBondContact N-O 3.04Å; I605-V607 HydrophobicContact CG2-CG2 4.4Å; I605-K644 CarbonylContact C-O 3.5Å; I605-K644 VanDerWaalsContact CA-O 3.26Å; I605-K644 WeakPolarHBondContact CA-O 3.36Å; I605-K644 HydrophobicContact CG1-CB 4.25Å; I605-I646 HydrophobicContact CG2-CD1 3.99Å; I605-I646 HydrophobicContact CG2-CG1 4.08Å
606L93Very high77.7Confident1 Ų127.8 Ų27.81%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-98.6131178.6-56.6-174000109.5I216 I218 M540 M541 I604 P608 L622 L643 K644 I645 I646I216-L606 HydrophobicContact CB-CD2 4.07Å; I216-L606 HydrophobicContact CD1-CD2 3.95Å; I216-L606 HydrophobicContact CG1-CD2 4.35Å; I218-L606 HydrophobicContact CD1-CB 3.75Å; I218-L606 HydrophobicContact CD1-CD1 4.32Å; I218-L606 HydrophobicContact CD1-CD2 4.11Å; I218-L606 HydrophobicContact CD1-CG 4.25Å; M540-L606 HydrophobicContact CE-CD2 3.83Å; M541-L606 HydrophobicContact SD-CD1 4.08Å; M541-L606 HydrophobicContact SD-CD2 4.36Å; I604-L606 HydrophobicContact CG2-CD2 3.92Å; L606-P608 WeakPolarHBondContact O-CD 3.33Å; L606-L622 HydrophobicContact CD1-CD1 4.09Å; L606-L643 HydrophobicContact CD1-CD1 3.92Å; L606-L643 HydrophobicContact CG-CD1 3.83Å; L606-K644 PolarHBondContact N-O 3.17Å; L606-I645 HydrophobicContact CB-CG1 4.37Å; L606-I645 HydrophobicContact CB-CG2 4.09Å; L606-I645 CarbonylContact O-C 3.59Å; L606-I645 WeakPolarHBondContact O-CA 3.26Å; L606-I646 PolarHBondContact O-N 3.22Å
607V90.6Very high79.1Confident1 Ų121.9 Ų21.91%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-122.984.9176.1-170.30000109.2L150 I164 V215 I216 F217 I218 I605 M609 I646L150-V607 HydrophobicContact CD1-CG1 4.18Å; I164-V607 HydrophobicContact CD1-CG1 4.15Å; V215-V607 HydrophobicContact CG1-CG2 3.97Å; I216-V607 PolarHBondContact O-N 2.93Å; F217-V607 WeakPolarHBondContact CA-O 3.48Å; F217-V607 HydrophobicContact CD1-CB 3.81Å; F217-V607 HydrophobicContact CD1-CG1 3.75Å; F217-V607 HydrophobicContact CE1-CB 4.05Å; F217-V607 HydrophobicContact CE1-CG1 3.73Å; F217-V607 HydrophobicContact CE1-CG2 4.39Å; F217-V607 HydrophobicContact CG-CB 4.31Å; I218-V607 PolarHBondContact N-O 3.25Å; I605-V607 HydrophobicContact CG2-CG2 4.4Å; V607-M609 PolarHBondContact O-N 3.39Å; V607-I646 HydrophobicContact CG2-CB 4.34Å
608P86Confident79.9Confident11 Ų1120.8 Ų20.87%0.07112%0.115CC..EExtended strand (participates in β ladder)trans-56.4132.7170.1-27.438.4000112.3I218 V223 L606 L614 I645 I646 I647I218-P608 HydrophobicContact CD1-CG 4.41Å; V223-P608 HydrophobicContact CG2-CB 3.8Å; L606-P608 WeakPolarHBondContact O-CD 3.33Å; P608-L614 HydrophobicContact CG-CD2 4.29Å; P608-I645 HydrophobicContact CG-CG2 4.16Å; P608-I646 VanDerWaalsContact CD-O 3.29Å; P608-I646 WeakPolarHBondContact CD-O 3.46Å; P608-I647 HydrophobicContact CB-CG2 4.2Å; P608-I647 HydrophobicContact CG-CG2 3.71Å
609M77.7Confident80.4Confident4 Ų420 Ų202%0.0211%0.111CC..  trans-99156.4-178.2-58.7-74.3-79.400110.8L150 V187 F217 I218 E220 V607L150-M609 HydrophobicContact CB-CE 3.48Å; L150-M609 VanDerWaalsContact CB-CE 3.48Å; L150-M609 HydrophobicContact CB-SD 3.42Å; L150-M609 WeakPolarHBondContact CB-SD 3.46Å; L150-M609 HydrophobicContact CD1-SD 3.51Å; L150-M609 VanDerWaalsContact CD1-SD 3.51Å; L150-M609 HydrophobicContact CG-SD 4.1Å; L150-M609 WeakPolarHBondContact O-CE 3.48Å; V187-M609 HydrophobicContact CB-CE 3.3Å; V187-M609 HydrophobicContact CG1-CE 3.55Å; V187-M609 HydrophobicContact CG1-SD 4.3Å; V187-M609 HydrophobicContact CG2-CE 3.36Å; F217-M609 HydrophobicContact CB-CG 4.49Å; F217-M609 HydrophobicContact CB-SD 4.38Å; F217-M609 HydrophobicContact CD1-SD 3.65Å; F217-M609 HydrophobicContact CE1-SD 4.48Å; F217-M609 HydrophobicContact CG-SD 4.5Å; I218-M609 WeakPolarHBondContact O-CB 3.39Å; I218-M609 WeakPolarHBondContact O-CG 3.49Å; I218-M609 PolarHBondContact O-N 2.81Å; E220-M609 WeakPolarHBondContact CA-O 3.46Å; E220-M609 VanDerWaalsContact CB-O 3.28Å; E220-M609 WeakPolarHBondContact CB-O 3.42Å; V607-M609 PolarHBondContact O-N 3.39Å
610G66.3Low80.9Confident2 Ų218.6 Ų18.62%0.02111%0.105CC..SBendtrans112.1175174.500000113.8G612G610-G612 VanDerWaalsContact C-N 3.27Å
611S58Low81.1Confident75 Ų7514.1 Ų14.152%0.5249%0.087SC..SBendtrans-76.3-22.5165.145.70000111.5
612G57.4Low81.2Confident26 Ų2613.9 Ų13.927%0.2689%0.085SC..SBendtrans-64.3134177.500000112.1E220 G610E220-G612 WeakPolarHBondContact OE1-CA 3.41Å; E220-G612 PolarHBondContact OE1-N 3.39Å; G610-G612 VanDerWaalsContact C-N 3.27Å
613S66.1Low81.2Confident11 Ų1111 Ų118%0.0777%0.069CC..PPolyproline II helixtrans-89.5151.4177.345.80000112.2G649 F650 T651S613-G649 WeakPolarHBondContact CA-O 3.45Å; S613-G649 WeakPolarHBondContact CB-O 3.45Å; S613-F650 WeakPolarHBondContact CB-O 3.39Å; S613-F650 PolarHBondContact OG-O 2.82Å; S613-T651 VanDerWaalsContact CB-N 3.35Å; S613-T651 WeakPolarHBondContact O-CB 3.43Å; S613-T651 VanDerWaalsContact O-CG2 3.26Å; S613-T651 WeakPolarHBondContact O-CG2 3.3Å; S613-T651 PolarHBondContact O-OG1 2.84Å; S613-T651 VanDerWaalsContact OG-CA 3.27Å; S613-T651 WeakPolarHBondContact OG-CA 3.26Å; S613-T651 WeakPolarHBondContact OG-CG2 3.43Å; S613-T651 PolarHBondContact OG-N 2.89Å; S613-T651 VanDerWaalsContact OG-N 3.11Å
614L78.1Confident81Confident2 Ų213.5 Ų13.51%0.018%0.082CC..EExtended strand (participates in β ladder)trans-77.2131.7-177.7-178.965.7000109.7V223 P608 I616 L618 C619 I645 I647 G649 F650 T651V223-L614 HydrophobicContact CG1-CB 4.33Å; V223-L614 HydrophobicContact CG1-CD1 3.58Å; P608-L614 HydrophobicContact CG-CD2 4.29Å; L614-I616 PolarHBondContact O-N 3.37Å; L614-L618 HydrophobicContact CD1-CB 4.3Å; L614-L618 HydrophobicContact CD1-CD2 3.51Å; L614-L618 HydrophobicContact CD1-CG 3.86Å; L614-C619 HydrophobicContact CD2-CB 4.46Å; L614-C619 WeakPolarHBondContact CD2-SG 2.83Å; L614-C619 WeakPolarHBondContact CG-SG 2.98Å; L614-I645 HydrophobicContact CD2-CD1 4.23Å; L614-I645 HydrophobicContact CD2-CG2 3.91Å; L614-I647 HydrophobicContact CB-CD1 4.4Å; L614-I647 HydrophobicContact CB-CG2 4.05Å; L614-I647 HydrophobicContact CD2-CG2 4.09Å; L614-G649 PolarHBondContact N-O 3.21Å; L614-F650 CarbonylContact O-C 3.48Å; L614-F650 VanDerWaalsContact O-CA 3.31Å; L614-F650 WeakPolarHBondContact O-CA 3.49Å; L614-T651 VanDerWaalsContact C-OG1 3.23Å; L614-T651 PolarHBondContact O-N 3.39Å
615P79.2Confident80.6Confident3 Ų314.2 Ų14.22%0.0199%0.086CC..EExtended strand (participates in β ladder)trans-59.6132.9175.5-25.434.4000110.4A228 C229 G617 L618 C619 T651A228-P615 HydrophobicContact CB-CB 3.69Å; A228-P615 HydrophobicContact CB-CG 4.27Å; C229-P615 VanDerWaalsContact SG-CG 3.58Å; P615-G617 PolarHBondContact O-N 2.92Å; P615-L618 HydrophobicContact CB-CB 4.07Å; P615-L618 HydrophobicContact CG-CB 4.45Å; P615-L618 WeakPolarHBondContact O-CB 3.5Å; P615-L618 PolarHBondContact O-N 3.1Å; P615-L618 VanDerWaalsContact O-N 3.07Å; P615-C619 PolarHBondContact O-N 2.63Å; P615-C619 VanDerWaalsContact O-N 3.11Å; P615-C619 PolarHBondContact O-SG 3.27Å; P615-C619 VanDerWaalsContact O-SG 3.37Å; P615-T651 VanDerWaalsContact CA-OG1 3.27Å; P615-T651 WeakPolarHBondContact CA-OG1 3.39Å; P615-T651 VanDerWaalsContact CD-OG1 3.31Å; P615-T651 WeakPolarHBondContact CD-OG1 3.22Å; P615-T651 WeakPolarHBondContact CG-OG1 3.49Å
616I79.8Confident80.1Confident5 Ų515.2 Ų15.23%0.0269%0.091CC..Hα-helixtrans-61.3-34-178.8-169.168.8000111.7F138 D241 F244 F299 L614 C619 R620 F650F138-I616 HydrophobicContact CE2-CD1 4.05Å; F138-I616 HydrophobicContact CZ-CD1 3.91Å; D241-I616 WeakPolarHBondContact OD1-CG2 3.34Å; F244-I616 HydrophobicContact CB-CG2 4.26Å; F244-I616 HydrophobicContact CD2-CG2 4.41Å; F244-I616 HydrophobicContact CE2-CG1 4.47Å; F244-I616 HydrophobicContact CG-CG2 4.28Å; F299-I616 HydrophobicContact CD2-CD1 4.36Å; F299-I616 HydrophobicContact CE2-CD1 3.79Å; F299-I616 HydrophobicContact CE2-CG1 4.3Å; L614-I616 PolarHBondContact O-N 3.37Å; I616-C619 WeakPolarHBondContact O-CB 3.4Å; I616-C619 PolarHBondContact O-N 3.15Å; I616-R620 PolarHBondContact O-N 2.63Å; I616-F650 HydrophobicContact CB-CD1 4.41Å; I616-F650 HydrophobicContact CD1-CD1 3.54Å; I616-F650 HydrophobicContact CD1-CE1 3.56Å; I616-F650 HydrophobicContact CD1-CG 4.17Å; I616-F650 HydrophobicContact CD1-CZ 4.24Å
617G81.4Confident79.4Confident1 Ų116.7 Ų16.71%0.0110%0.101CC..Hα-helixtrans-62.5-41.9173.100000113.1P615 C619 R620 E621P615-G617 PolarHBondContact O-N 2.92Å; G617-C619 VanDerWaalsContact C-N 3.33Å; G617-C619 PolarHBondContact O-N 2.81Å; G617-R620 WeakPolarHBondContact O-CB 3.19Å; G617-R620 PolarHBondContact O-N 3.06Å; G617-R620 VanDerWaalsContact O-N 3.17Å; G617-E621 PolarHBondContact O-N 3.14Å
618L83.3Confident77.9Confident0 Ų021.2 Ų21.20%013%0.131CC..Hα-helixtrans-63.5-39.1175.5177.154.6000111.6V223 D225 A228 P535 L537 V538 L614 P615 R620 E621 L622V223-L618 WeakPolarHBondContact O-CD2 3.44Å; D225-L618 HydrophobicContact CB-CD2 4.39Å; A228-L618 HydrophobicContact CB-CB 4.05Å; P535-L618 HydrophobicContact CB-CD1 3.59Å; P535-L618 HydrophobicContact CG-CD1 3.58Å; L537-L618 HydrophobicContact CD1-CD2 4.35Å; V538-L618 HydrophobicContact CG2-CD1 3.58Å; L614-L618 HydrophobicContact CD1-CB 4.3Å; L614-L618 HydrophobicContact CD1-CD2 3.51Å; L614-L618 HydrophobicContact CD1-CG 3.86Å; P615-L618 HydrophobicContact CB-CB 4.07Å; P615-L618 HydrophobicContact CG-CB 4.45Å; P615-L618 WeakPolarHBondContact O-CB 3.5Å; P615-L618 PolarHBondContact O-N 3.1Å; P615-L618 VanDerWaalsContact O-N 3.07Å; L618-R620 VanDerWaalsContact C-N 3.3Å; L618-R620 PolarHBondContact O-N 3.06Å; L618-E621 PolarHBondContact O-N 3.47Å; L618-L622 HydrophobicContact CD1-CG 4.39Å; L618-L622 HydrophobicContact CG-CD1 4.42Å; L618-L622 VanDerWaalsContact O-CG 3.28Å; L618-L622 WeakPolarHBondContact O-CG 3.48Å; L618-L622 PolarHBondContact O-N 3.18Å
619C85.3Confident76.4Confident0 Ų025.6 Ų25.60%016%0.162CC..Hα-helixtrans-55.5-49.1173.7-57.70000110.6L141 F299 L614 P615 I616 G617 L622 F623L141-C619 HydrophobicContact CD1-CB 4.22Å; L141-C619 HydrophobicContact CD2-CB 4.47Å; F299-C619 HydrophobicContact CE2-CB 4.21Å; F299-C619 HydrophobicContact CZ-CB 3.8Å; L614-C619 HydrophobicContact CD2-CB 4.46Å; L614-C619 WeakPolarHBondContact CD2-SG 2.83Å; L614-C619 WeakPolarHBondContact CG-SG 2.98Å; P615-C619 PolarHBondContact O-N 2.63Å; P615-C619 VanDerWaalsContact O-N 3.11Å; P615-C619 PolarHBondContact O-SG 3.27Å; P615-C619 VanDerWaalsContact O-SG 3.37Å; I616-C619 WeakPolarHBondContact O-CB 3.4Å; I616-C619 PolarHBondContact O-N 3.15Å; G617-C619 VanDerWaalsContact C-N 3.33Å; G617-C619 PolarHBondContact O-N 2.81Å; C619-L622 WeakPolarHBondContact O-CB 3.23Å; C619-L622 PolarHBondContact O-N 3.34Å; C619-F623 WeakPolarHBondContact O-CD2 3.49Å; C619-F623 PolarHBondContact O-N 3.46Å
620R85.4Confident74.9Confident7 Ų732.6 Ų32.63%0.02619%0.194CC..Hα-helixtrans-62.4-44.9-178.4-176.6179.356.3-103.4-5111.9H238 D241 F299 M300 I616 G617 L618 L622 F623 E624H238-R620 PolarHBondContact CD2-NE 3.34Å; H238-R620 PolarHBondContact CD2-NH2 3.3Å; H238-R620 PolarHBondContact CE1-NE 2.9Å; H238-R620 PolarHBondContact NE2-NE 3.44Å; H238-R620 VanDerWaalsContact NE2-NE 3.15Å; D241-R620 VanDerWaalsContact CG-NH1 3.26Å; D241-R620 IonicContact OD1-CZ 2.74Å; D241-R620 IonicContact OD1-NH1 3.23Å; D241-R620 PolarHBondContact OD1-NH1 3.45Å; D241-R620 IonicContact OD1-NH2 2.69Å; D241-R620 IonicContact OD2-CZ 3.39Å; D241-R620 VanDerWaalsContact OD2-CZ 3.32Å; D241-R620 IonicContact OD2-NH1 2.82Å; D241-R620 PolarHBondContact OD2-NH1 3.22Å; D241-R620 VanDerWaalsContact OD2-NH1 3.15Å; D241-R620 IonicContact OD2-NH2 3.47Å; D241-R620 PolarHBondContact OD2-NH2 3.33Å; F299-R620 HydrophobicContact CE1-CB 4.45Å; F299-R620 HydrophobicContact CE2-CB 4.44Å; F299-R620 HydrophobicContact CZ-CB 4.07Å; F299-R620 WeakPolarHBondContact O-CD 3.3Å; M300-R620 HydrophobicContact CE-CG 4.42Å; M300-R620 HydrophobicContact SD-CG 3.95Å; I616-R620 PolarHBondContact O-N 2.63Å; G617-R620 WeakPolarHBondContact O-CB 3.19Å; G617-R620 PolarHBondContact O-N 3.06Å; G617-R620 VanDerWaalsContact O-N 3.17Å; L618-R620 VanDerWaalsContact C-N 3.3Å; L618-R620 PolarHBondContact O-N 3.06Å; R620-L622 PolarHBondContact O-N 3.15Å; R620-F623 PolarHBondContact O-N 3.15Å; R620-E624 HydrophobicContact CG-CG 4.39Å; R620-E624 WeakPolarHBondContact O-CG 3.1Å; R620-E624 PolarHBondContact O-N 2.7Å
621E85Confident73.9Confident45 Ų4532.6 Ų32.621%0.2119%0.194CC..Hα-helixtrans-55.8-39.4175.5-73.6-171.6-150.200112.4V538 G617 L618 F623 E624 V625V538-E621 HydrophobicContact CG1-CB 4.43Å; V538-E621 HydrophobicContact CG2-CB 3.78Å; G617-E621 PolarHBondContact O-N 3.14Å; L618-E621 PolarHBondContact O-N 3.47Å; E621-F623 VanDerWaalsContact C-N 3.34Å; E621-F623 PolarHBondContact O-N 3.48Å; E621-E624 PolarHBondContact O-N 3.09Å; E621-V625 WeakPolarHBondContact O-CG2 3.42Å; E621-V625 PolarHBondContact O-N 2.96Å
622L88.7Confident72.9Confident1 Ų135.4 Ų35.41%0.00520%0.2CC..Hα-helixtrans-65.2-36.6177-62.6165.7000112.2L537 V538 M541 L606 L618 C619 R620 L643 I645L537-L622 HydrophobicContact CB-CD2 3.87Å; V538-L622 HydrophobicContact CB-CD2 4.38Å; V538-L622 HydrophobicContact CG2-CD2 3.81Å; V538-L622 HydrophobicContact CG2-CG 4.23Å; M541-L622 HydrophobicContact CB-CD2 4.22Å; M541-L622 HydrophobicContact CG-CD2 3.44Å; M541-L622 VanDerWaalsContact CG-CD2 3.44Å; L606-L622 HydrophobicContact CD1-CD1 4.09Å; L618-L622 HydrophobicContact CD1-CG 4.39Å; L618-L622 HydrophobicContact CG-CD1 4.42Å; L618-L622 VanDerWaalsContact O-CG 3.28Å; L618-L622 WeakPolarHBondContact O-CG 3.48Å; L618-L622 PolarHBondContact O-N 3.18Å; C619-L622 WeakPolarHBondContact O-CB 3.23Å; C619-L622 PolarHBondContact O-N 3.34Å; R620-L622 PolarHBondContact O-N 3.15Å; L622-L643 HydrophobicContact CB-CD2 3.85Å; L622-I645 HydrophobicContact CD1-CD1 3.79Å
623F88Confident72.3Confident12 Ų1238.1 Ų38.15%0.05321%0.211CC..Hα-helixtrans-75.2-32.9175.3-77-72.2000113.4N140 L141 F299 M300 C619 R620 E621 V625 I626 S627 L643 I645N140-F623 HydrophobicContact CB-CD1 4.43Å; N140-F623 HydrophobicContact CB-CE1 3.27Å; N140-F623 HydrophobicContact CB-CE2 4.42Å; N140-F623 HydrophobicContact CB-CZ 3.27Å; L141-F623 HydrophobicContact CD1-CE2 4.37Å; L141-F623 HydrophobicContact CD2-CE2 3.7Å; L141-F623 HydrophobicContact CD2-CZ 4.15Å; L141-F623 HydrophobicContact CG-CE2 3.95Å; L141-F623 HydrophobicContact CG-CZ 4.35Å; F299-F623 HydrophobicContact CE1-CB 4.29Å; F299-F623 AromaticContact CE1-CD2 3.44Å; F299-F623 HydrophobicContact CE1-CD2 3.44Å; F299-F623 VanDerWaalsContact CE1-CD2 3.44Å; F299-F623 HydrophobicContact CE1-CE2 4.06Å; F299-F623 HydrophobicContact CE1-CG 4.06Å; F299-F623 AromaticContact CZ-CD2 3.83Å; F299-F623 HydrophobicContact CZ-CD2 3.83Å; F299-F623 HydrophobicContact CZ-CE2 4.26Å; M300-F623 HydrophobicContact CE-CB 4.31Å; M300-F623 HydrophobicContact SD-CB 3.96Å; C619-F623 WeakPolarHBondContact O-CD2 3.49Å; C619-F623 PolarHBondContact O-N 3.46Å; R620-F623 PolarHBondContact O-N 3.15Å; E621-F623 VanDerWaalsContact C-N 3.34Å; E621-F623 PolarHBondContact O-N 3.48Å; F623-V625 VanDerWaalsContact C-N 3.28Å; F623-V625 PolarHBondContact O-N 3.2Å; F623-I626 HydrophobicContact CD1-CD1 4.12Å; F623-I626 HydrophobicContact CD1-CG1 4.47Å; F623-I626 VanDerWaalsContact O-CG1 3.31Å; F623-I626 WeakPolarHBondContact O-CG1 3.03Å; F623-I626 PolarHBondContact O-N 3.23Å; F623-S627 PolarHBondContact O-N 3.47Å; F623-S627 PolarHBondContact O-OG 2.87Å; F623-L643 HydrophobicContact CD1-CB 4.37Å; F623-L643 HydrophobicContact CD1-CD2 4Å; F623-L643 HydrophobicContact CD1-CG 4.46Å; F623-L643 HydrophobicContact CD2-CD2 4.49Å; F623-L643 HydrophobicContact CE1-CB 3.91Å; F623-L643 HydrophobicContact CE1-CD2 3.89Å; F623-L643 HydrophobicContact CE1-CG 3.91Å; F623-L643 HydrophobicContact CE2-CD2 4.41Å; F623-L643 HydrophobicContact CG-CD2 4.28Å; F623-L643 HydrophobicContact CZ-CD2 4.1Å; F623-L643 HydrophobicContact CZ-CG 4.12Å; F623-I645 HydrophobicContact CE2-CD1 4.03Å; F623-I645 HydrophobicContact CE2-CG1 4.35Å; F623-I645 HydrophobicContact CZ-CD1 4.47Å; F623-I645 HydrophobicContact CZ-CG1 4.33Å
624E86.4Confident71.5Confident76 Ų7645 Ų4536%0.35525%0.248SC..Hα-helixtrans-61.9-38.2173.8-73.5-176.617400111.3M300 R620 E621 I626 S627M300-E624 HydrophobicContact CE-CB 4.43Å; M300-E624 HydrophobicContact CE-CG 3.48Å; M300-E624 VanDerWaalsContact CE-CG 3.48Å; R620-E624 HydrophobicContact CG-CG 4.39Å; R620-E624 WeakPolarHBondContact O-CG 3.1Å; R620-E624 PolarHBondContact O-N 2.7Å; E621-E624 PolarHBondContact O-N 3.09Å; E624-I626 VanDerWaalsContact C-N 3.31Å; E624-I626 PolarHBondContact O-N 2.78Å; E624-S627 WeakPolarHBondContact O-CB 3.35Å; E624-S627 PolarHBondContact O-N 3.35Å
625V84.2Confident70.1Confident14 Ų1451.6 Ų51.69%0.08528%0.283CS..Hα-helixtrans-59.4-38.4177.8167.40000113V538 M541 K542 V545 E621 F623V538-V625 HydrophobicContact CG1-CG2 3.64Å; M541-V625 HydrophobicContact CB-CB 4.46Å; M541-V625 HydrophobicContact CB-CG1 3.9Å; K542-V625 HydrophobicContact CB-CG1 4.36Å; K542-V625 HydrophobicContact CD-CG2 4.45Å; K542-V625 HydrophobicContact CG-CB 4.39Å; K542-V625 HydrophobicContact CG-CG1 3.65Å; K542-V625 HydrophobicContact CG-CG2 3.77Å; V545-V625 HydrophobicContact CG2-CG1 4.04Å; E621-V625 WeakPolarHBondContact O-CG2 3.42Å; E621-V625 PolarHBondContact O-N 2.96Å; F623-V625 VanDerWaalsContact C-N 3.28Å; F623-V625 PolarHBondContact O-N 3.2Å
626I82.8Confident68.3Low22 Ų2259.1 Ų59.111%0.11332%0.315CS..Hα-helixtrans-93.3-2.8-177.563.8146.8000113.2M541 V545 F623 E624 M640 F641 L643M541-I626 HydrophobicContact CE-CG2 3.8Å; V545-I626 HydrophobicContact CG2-CG2 4.11Å; F623-I626 HydrophobicContact CD1-CD1 4.12Å; F623-I626 HydrophobicContact CD1-CG1 4.47Å; F623-I626 VanDerWaalsContact O-CG1 3.31Å; F623-I626 WeakPolarHBondContact O-CG1 3.03Å; F623-I626 PolarHBondContact O-N 3.23Å; E624-I626 VanDerWaalsContact C-N 3.31Å; E624-I626 PolarHBondContact O-N 2.78Å; I626-M640 HydrophobicContact CB-SD 4.33Å; I626-F641 HydrophobicContact CG2-CD2 4.37Å; I626-F641 HydrophobicContact CG2-CE2 3.51Å; I626-F641 HydrophobicContact CG2-CZ 4.08Å; I626-L643 HydrophobicContact CD1-CB 3.39Å; I626-L643 HydrophobicContact CD1-CD2 4.47Å; I626-L643 HydrophobicContact CG1-CB 4.25Å
627S76.9Confident66.8Low32 Ų3264.3 Ų64.322%0.22435%0.349CS..SBendtrans-68.3136.5-177.5-71.70000110.3F623 E624 S629 H630F623-S627 PolarHBondContact O-N 3.47Å; F623-S627 PolarHBondContact O-OG 2.87Å; E624-S627 WeakPolarHBondContact O-CB 3.35Å; E624-S627 PolarHBondContact O-N 3.35Å; S627-S629 PolarHBondContact O-N 2.88Å; S627-H630 PolarHBondContact O-N 3.29Å; S627-H630 VanDerWaalsContact O-N 3.14Å
628P59.4Low65.3Low97 Ų9766.6 Ų66.663%0.6336%0.364SS*.G310 helixtrans-56.5-22.7-171.8-25.732.2000115.4H630 S631P628-H630 PolarHBondContact O-N 3.14Å; P628-H630 VanDerWaalsContact O-N 3.08Å; P628-S631 PolarHBondContact O-N 3.09Å
629S54.3Low63.9Low103 Ų10371.1 Ų71.172%0.7240%0.396SS*.G310 helixtrans-56.4-22.6177.942.20000113.9S627S627-S629 PolarHBondContact O-N 2.88Å
630H47.4Very low63.3Low150 Ų15072.8 Ų72.869%0.69440%0.404SS*.G310 helixtrans-93.9-9.8177.5-79.4-60.1000115.1S627 P628S627-H630 PolarHBondContact O-N 3.29Å; S627-H630 VanDerWaalsContact O-N 3.14Å; P628-H630 PolarHBondContact O-N 3.14Å; P628-H630 VanDerWaalsContact O-N 3.08Å
631S43.8Very low63.3Low3 Ų372.6 Ų72.62%0.02140%0.404CS..  trans-123.669.9-174.764.90000112.2P628 M640P628-S631 PolarHBondContact O-N 3.09Å; S631-M640 VanDerWaalsContact CB-CE 3.41Å; S631-M640 WeakPolarHBondContact OG-CE 3.24Å
632M38.3Very low63.4Low133 Ų13376.3 Ų76.366%0.65542%0.419SS*.EExtended strand (participates in β ladder)trans-100.598.9164-76.8-82.3-120.400108.1
633V44.1Very low63.5Low83 Ų8376.3 Ų76.350%0.50342%0.419SS..EExtended strand (participates in β ladder)trans-109.1120.8164.1-179.10000107.3N635 K636V633-N635 VanDerWaalsContact C-N 3.29Å; V633-N635 PolarHBondContact O-N 2.8Å; V633-K636 PolarHBondContact O-N 2.84Å
634N48.8Very low63.6Low157 Ų15776.3 Ų76.384%0.8442%0.419SS*.THydrogen-bonded Turntrans49.342.7179.5-67-18.8000114.8K636N634-K636 PolarHBondContact O-N 3.07Å
635N48.7Very low63.7Low139 Ų13972.7 Ų72.774%0.74340%0.402SS*.THydrogen-bonded Turntrans5423.2176-77-10.1000115.6V633V633-N635 VanDerWaalsContact C-N 3.29Å; V633-N635 PolarHBondContact O-N 2.8Å
636K42.8Very low63.8Low162 Ų16272.1 Ų72.170%0.70440%0.398SS*.EExtended strand (participates in β ladder)trans-111.1135.8166.9-73.1-175.2179.4179.60109.7V633 N634 C638V633-K636 PolarHBondContact O-N 2.84Å; N634-K636 PolarHBondContact O-N 3.07Å; K636-C638 PolarHBondContact O-N 3.06Å
637P47.8Very low63.7Low113 Ų11371.2 Ų71.273%0.73439%0.394SS*.EExtended strand (participates in β ladder)trans-61.2111.9169.925.1-30.6000107.8S639P637-S639 PolarHBondContact O-N 2.75Å
638C49Very low63.5Low49 Ų4970.6 Ų70.633%0.33139%0.389SS..  trans-62.7122.5171.2-155.20000106.6K636 M640K636-C638 PolarHBondContact O-N 3.06Å; C638-M640 PolarHBondContact O-N 2.81Å
639S54.6Low64Low96 Ų9666 Ų6667%0.67136%0.359SS*.  trans-69.285.4178.258.20000108.9R548 P637R548-S639 VanDerWaalsContact CZ-O 3.28Å; R548-S639 PolarHBondContact NE-O 3.34Å; R548-S639 PolarHBondContact NH2-O 2.87Å; P637-S639 PolarHBondContact O-N 2.75Å
640M73.5Confident65Low34 Ų3461.2 Ų61.217%0.16733%0.326CS..PPolyproline II helixtrans-62.7155.3173.5-75.5-119.3-161.900110.7V545 I626 S631 C638V545-M640 HydrophobicContact CB-CE 4.39Å; V545-M640 HydrophobicContact CB-SD 4.33Å; V545-M640 HydrophobicContact CG1-CE 3.35Å; V545-M640 HydrophobicContact CG1-SD 3.82Å; V545-M640 HydrophobicContact CG2-CE 4.12Å; V545-M640 HydrophobicContact CG2-SD 3.66Å; I626-M640 HydrophobicContact CB-SD 4.33Å; S631-M640 VanDerWaalsContact CB-CE 3.41Å; S631-M640 WeakPolarHBondContact OG-CE 3.24Å; C638-M640 PolarHBondContact O-N 2.81Å
641F84.1Confident66.1Low4 Ų454.8 Ų54.82%0.01830%0.297CS..PPolyproline II helixtrans-64.5156165.847.4-103.9000109.8M541 L544 V545 D602 I604 I626M541-F641 HydrophobicContact CE-CE2 3.47Å; M541-F641 VanDerWaalsContact CE-CE2 3.47Å; M541-F641 HydrophobicContact CE-CZ 3.85Å; L544-F641 HydrophobicContact CB-CE1 4.1Å; L544-F641 HydrophobicContact CB-CZ 3.98Å; V545-F641 HydrophobicContact CG2-CE1 4.31Å; V545-F641 HydrophobicContact CG2-CZ 3.78Å; D602-F641 CarbonylContact O-C 3.55Å; D602-F641 WeakPolarHBondContact O-CA 3.29Å; I604-F641 HydrophobicContact CB-CD2 3.86Å; I604-F641 HydrophobicContact CB-CE2 4.09Å; I604-F641 HydrophobicContact CB-CG 4.39Å; I604-F641 HydrophobicContact CD1-CD1 4.4Å; I604-F641 HydrophobicContact CD1-CG 4.38Å; I604-F641 HydrophobicContact CG1-CB 4.04Å; I604-F641 HydrophobicContact CG1-CD1 3.77Å; I604-F641 HydrophobicContact CG1-CD2 3.31Å; I604-F641 HydrophobicContact CG1-CE1 4.04Å; I604-F641 HydrophobicContact CG1-CE2 3.58Å; I604-F641 HydrophobicContact CG1-CG 3.43Å; I604-F641 VanDerWaalsContact CG1-CG 3.43Å; I604-F641 HydrophobicContact CG1-CZ 3.96Å; I626-F641 HydrophobicContact CG2-CD2 4.37Å; I626-F641 HydrophobicContact CG2-CE2 3.51Å; I626-F641 HydrophobicContact CG2-CZ 4.08Å
642K88.2Confident67Low122 Ų12255 Ų5553%0.5330%0.3SS..EExtended strand (participates in β ladder)trans-86.1124.3169.9-67.2174.3-176.8176.20109.1D602 Y603 I604D602-K642 PolarHBondContact O-N 3.12Å; Y603-K642 CarbonylContact C-O 3.54Å; Y603-K642 VanDerWaalsContact CA-O 3.23Å; Y603-K642 WeakPolarHBondContact CA-O 3.16Å; Y603-K642 HydrophobicContact CD1-CB 3.45Å; Y603-K642 VanDerWaalsContact CD1-CB 3.45Å; Y603-K642 HydrophobicContact CD1-CD 4.27Å; Y603-K642 HydrophobicContact CD1-CG 4.48Å; Y603-K642 HydrophobicContact CE1-CB 3.48Å; Y603-K642 VanDerWaalsContact CE1-CB 3.48Å; Y603-K642 HydrophobicContact CE1-CD 3.44Å; Y603-K642 VanDerWaalsContact CE1-CD 3.44Å; Y603-K642 HydrophobicContact CE1-CG 4.1Å; Y603-K642 HydrophobicContact CG-CB 4.38Å; I604-K642 PolarHBondContact N-O 3.22Å
643L90.9Very high68.2Low1 Ų148.8 Ų48.81%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-81.6135172.3176.662.9000110N140 M541 I604 L606 L622 F623 I626 I645N140-L643 WeakPolarHBondContact CB-O 3.46Å; M541-L643 HydrophobicContact CE-CD1 3.86Å; M541-L643 HydrophobicContact CE-CD2 4.25Å; M541-L643 HydrophobicContact CE-CG 4.48Å; M541-L643 HydrophobicContact SD-CD1 4.3Å; I604-L643 HydrophobicContact CB-CD1 4.47Å; I604-L643 HydrophobicContact CG2-CD1 4.29Å; I604-L643 CarbonylContact O-C 3.51Å; I604-L643 WeakPolarHBondContact O-CA 3.44Å; L606-L643 HydrophobicContact CD1-CD1 3.92Å; L606-L643 HydrophobicContact CG-CD1 3.83Å; L622-L643 HydrophobicContact CB-CD2 3.85Å; F623-L643 HydrophobicContact CD1-CB 4.37Å; F623-L643 HydrophobicContact CD1-CD2 4Å; F623-L643 HydrophobicContact CD1-CG 4.46Å; F623-L643 HydrophobicContact CD2-CD2 4.49Å; F623-L643 HydrophobicContact CE1-CB 3.91Å; F623-L643 HydrophobicContact CE1-CD2 3.89Å; F623-L643 HydrophobicContact CE1-CG 3.91Å; F623-L643 HydrophobicContact CE2-CD2 4.41Å; F623-L643 HydrophobicContact CG-CD2 4.28Å; F623-L643 HydrophobicContact CZ-CD2 4.1Å; F623-L643 HydrophobicContact CZ-CG 4.12Å; I626-L643 HydrophobicContact CD1-CB 3.39Å; I626-L643 HydrophobicContact CD1-CD2 4.47Å; I626-L643 HydrophobicContact CG1-CB 4.25Å; L643-I645 HydrophobicContact CD1-CG1 4.35Å; L643-I645 HydrophobicContact CD2-CD1 4.45Å; L643-I645 HydrophobicContact CG-CG1 4.28Å
644K90.1Very high69.1Low13 Ų1349 Ų496%0.05727%0.265CS..EExtended strand (participates in β ladder)trans-129.1146.8164.5-69.4179.6167.3-60.50109.5K139 N140 F142 L171 Y603 I604 I605 L606K139-K644 PolarHBondContact O-NZ 3.29Å; N140-K644 CarbonylContact O-C 3.58Å; N140-K644 VanDerWaalsContact O-CA 3.26Å; N140-K644 WeakPolarHBondContact O-CA 3.18Å; F142-K644 HydrophobicContact CE2-CB 4.12Å; F142-K644 HydrophobicContact CE2-CD 3.72Å; F142-K644 HydrophobicContact CE2-CG 4.04Å; F142-K644 HydrophobicContact CZ-CD 4.25Å; L171-K644 HydrophobicContact CD1-CD 3.53Å; Y603-K644 HydrophobicContact CD1-CD 3.85Å; Y603-K644 HydrophobicContact CD1-CG 4.22Å; Y603-K644 HydrophobicContact CE1-CD 4.02Å; I604-K644 PolarHBondContact O-N 2.97Å; I605-K644 CarbonylContact C-O 3.5Å; I605-K644 VanDerWaalsContact CA-O 3.26Å; I605-K644 WeakPolarHBondContact CA-O 3.36Å; I605-K644 HydrophobicContact CG1-CB 4.25Å; L606-K644 PolarHBondContact N-O 3.17Å
645I88.6Confident69.9Low0 Ų042.3 Ų42.30%023%0.234CC..EExtended strand (participates in β ladder)trans-127.3131.7175.7-42.7-176.2000108.4N140 L141 F142 L606 P608 L614 L622 F623 L643 I647N140-I645 PolarHBondContact O-N 3.2Å; L141-I645 WeakPolarHBondContact CA-O 3.34Å; L141-I645 HydrophobicContact CD2-CB 3.51Å; L141-I645 HydrophobicContact CD2-CD1 3.77Å; L141-I645 HydrophobicContact CD2-CG1 3.74Å; L141-I645 HydrophobicContact CD2-CG2 4.41Å; F142-I645 PolarHBondContact N-O 3.38Å; L606-I645 HydrophobicContact CB-CG1 4.37Å; L606-I645 HydrophobicContact CB-CG2 4.09Å; L606-I645 CarbonylContact O-C 3.59Å; L606-I645 WeakPolarHBondContact O-CA 3.26Å; P608-I645 HydrophobicContact CG-CG2 4.16Å; L614-I645 HydrophobicContact CD2-CD1 4.23Å; L614-I645 HydrophobicContact CD2-CG2 3.91Å; L622-I645 HydrophobicContact CD1-CD1 3.79Å; F623-I645 HydrophobicContact CE2-CD1 4.03Å; F623-I645 HydrophobicContact CE2-CG1 4.35Å; F623-I645 HydrophobicContact CZ-CD1 4.47Å; F623-I645 HydrophobicContact CZ-CG1 4.33Å; L643-I645 HydrophobicContact CD1-CG1 4.35Å; L643-I645 HydrophobicContact CD2-CD1 4.45Å; L643-I645 HydrophobicContact CG-CG1 4.28Å; I645-I647 HydrophobicContact CG2-CG2 3.72Å
646I86.1Confident70.7Confident1 Ų135.8 Ų35.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-113.3117.9175.7-52.9179.2000108.2F142 L144 I164 I167 F168 I605 L606 V607 P608F142-I646 HydrophobicContact CB-CB 4.49Å; F142-I646 HydrophobicContact CB-CG1 4.12Å; F142-I646 HydrophobicContact CB-CG2 4.36Å; F142-I646 HydrophobicContact CD2-CG1 4.19Å; F142-I646 HydrophobicContact CG-CG1 4.47Å; F142-I646 WeakPolarHBondContact O-CA 3.27Å; L144-I646 HydrophobicContact CD1-CG2 4.3Å; L144-I646 HydrophobicContact CD2-CG2 3.69Å; L144-I646 HydrophobicContact CG-CG2 3.87Å; I164-I646 HydrophobicContact CG1-CD1 4.33Å; I164-I646 HydrophobicContact CG1-CG2 4.19Å; I164-I646 HydrophobicContact CG2-CD1 4.15Å; I167-I646 HydrophobicContact CD1-CD1 4.03Å; I167-I646 HydrophobicContact CD1-CG1 4.4Å; I167-I646 HydrophobicContact CD1-CG2 4.18Å; I167-I646 HydrophobicContact CG2-CD1 4.33Å; F168-I646 HydrophobicContact CD1-CD1 4.42Å; F168-I646 HydrophobicContact CE1-CD1 3.55Å; F168-I646 HydrophobicContact CZ-CD1 4.04Å; I605-I646 HydrophobicContact CG2-CD1 3.99Å; I605-I646 HydrophobicContact CG2-CG1 4.08Å; L606-I646 PolarHBondContact O-N 3.22Å; V607-I646 HydrophobicContact CG2-CB 4.34Å; P608-I646 VanDerWaalsContact CD-O 3.29Å; P608-I646 WeakPolarHBondContact CD-O 3.46Å
647I79.6Confident72Confident4 Ų428.1 Ų28.12%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-132.4163.5-174.958.6179.2000111.5F142 V143 L144 P608 L614 I645 G649 F650F142-I647 PolarHBondContact O-N 2.93Å; V143-I647 CarbonylContact C-O 3.52Å; V143-I647 VanDerWaalsContact CA-O 3.26Å; V143-I647 WeakPolarHBondContact CA-O 3.47Å; V143-I647 HydrophobicContact CG2-CG1 4.18Å; L144-I647 PolarHBondContact N-O 3.4Å; P608-I647 HydrophobicContact CB-CG2 4.2Å; P608-I647 HydrophobicContact CG-CG2 3.71Å; L614-I647 HydrophobicContact CB-CD1 4.4Å; L614-I647 HydrophobicContact CB-CG2 4.05Å; L614-I647 HydrophobicContact CD2-CG2 4.09Å; I645-I647 HydrophobicContact CG2-CG2 3.72Å; I647-G649 WeakPolarHBondContact CD1-O 3.44Å; I647-F650 HydrophobicContact CD1-CD1 3.49Å; I647-F650 VanDerWaalsContact CD1-CD1 3.49Å; I647-F650 HydrophobicContact CD1-CD2 4.23Å; I647-F650 HydrophobicContact CD1-CE1 3.19Å; I647-F650 HydrophobicContact CD1-CE2 3.97Å; I647-F650 HydrophobicContact CD1-CG 4.01Å; I647-F650 HydrophobicContact CD1-CZ 3.46Å; I647-F650 VanDerWaalsContact CD1-CZ 3.46Å
648S72.6Confident72.9Confident18 Ų1826 Ų2613%0.12615%0.154CC..SBendtrans-86.5-13.717253.20000113.4
649G71.6Confident73.6Confident0 Ų027 Ų270%016%0.161CC..  trans170.2179.4177.800000112.2S613 L614 I647S613-G649 WeakPolarHBondContact CA-O 3.45Å; S613-G649 WeakPolarHBondContact CB-O 3.45Å; L614-G649 PolarHBondContact N-O 3.21Å; I647-G649 WeakPolarHBondContact CD1-O 3.44Å
650F74.8Confident74.3Confident3 Ų323.2 Ų23.21%0.01313%0.133CC..EExtended strand (participates in β ladder)trans-107.2143.3175.9-61.9-79.8000111.4F138 L141 V143 F244 G251 I289 S613 L614 I616 I647F138-F650 HydrophobicContact CD2-CZ 4.03Å; F138-F650 HydrophobicContact CE2-CE1 4.33Å; F138-F650 HydrophobicContact CE2-CE2 4.07Å; F138-F650 AromaticContact CE2-CZ 3.66Å; F138-F650 HydrophobicContact CE2-CZ 3.66Å; L141-F650 HydrophobicContact CB-CZ 4.36Å; L141-F650 HydrophobicContact CD1-CE1 3.93Å; L141-F650 HydrophobicContact CD1-CZ 3.98Å; V143-F650 HydrophobicContact CG2-CE2 3.68Å; V143-F650 HydrophobicContact CG2-CZ 4.16Å; F244-F650 HydrophobicContact CD1-CB 4.16Å; F244-F650 HydrophobicContact CE1-CB 3.72Å; F244-F650 HydrophobicContact CE1-CD2 4.15Å; F244-F650 HydrophobicContact CE1-CG 4.15Å; F244-F650 HydrophobicContact CZ-CD2 4.35Å; G251-F650 CarbonylContact C-O 3.56Å; I289-F650 HydrophobicContact CG2-CD2 4.31Å; I289-F650 HydrophobicContact CG2-CE2 4.24Å; S613-F650 WeakPolarHBondContact CB-O 3.39Å; S613-F650 PolarHBondContact OG-O 2.82Å; L614-F650 CarbonylContact O-C 3.48Å; L614-F650 VanDerWaalsContact O-CA 3.31Å; L614-F650 WeakPolarHBondContact O-CA 3.49Å; I616-F650 HydrophobicContact CB-CD1 4.41Å; I616-F650 HydrophobicContact CD1-CD1 3.54Å; I616-F650 HydrophobicContact CD1-CE1 3.56Å; I616-F650 HydrophobicContact CD1-CG 4.17Å; I616-F650 HydrophobicContact CD1-CZ 4.24Å; I647-F650 HydrophobicContact CD1-CD1 3.49Å; I647-F650 VanDerWaalsContact CD1-CD1 3.49Å; I647-F650 HydrophobicContact CD1-CD2 4.23Å; I647-F650 HydrophobicContact CD1-CE1 3.19Å; I647-F650 HydrophobicContact CD1-CE2 3.97Å; I647-F650 HydrophobicContact CD1-CG 4.01Å; I647-F650 HydrophobicContact CD1-CZ 3.46Å; I647-F650 VanDerWaalsContact CD1-CZ 3.46Å
651T69.8Low74.3Confident16 Ų1622.2 Ų22.210%0.09813%0.129CC..EExtended strand (participates in β ladder)trans-92.7135168.732.10000107.9S613 L614 P615S613-T651 VanDerWaalsContact CB-N 3.35Å; S613-T651 WeakPolarHBondContact O-CB 3.43Å; S613-T651 VanDerWaalsContact O-CG2 3.26Å; S613-T651 WeakPolarHBondContact O-CG2 3.3Å; S613-T651 PolarHBondContact O-OG1 2.84Å; S613-T651 VanDerWaalsContact OG-CA 3.27Å; S613-T651 WeakPolarHBondContact OG-CA 3.26Å; S613-T651 WeakPolarHBondContact OG-CG2 3.43Å; S613-T651 PolarHBondContact OG-N 2.89Å; S613-T651 VanDerWaalsContact OG-N 3.11Å; L614-T651 VanDerWaalsContact C-OG1 3.23Å; L614-T651 PolarHBondContact O-N 3.39Å; P615-T651 VanDerWaalsContact CA-OG1 3.27Å; P615-T651 WeakPolarHBondContact CA-OG1 3.39Å; P615-T651 VanDerWaalsContact CD-OG1 3.31Å; P615-T651 WeakPolarHBondContact CD-OG1 3.22Å; P615-T651 WeakPolarHBondContact CG-OG1 3.49Å
652G64Low73.6Confident7 Ų726.8 Ų26.87%0.07215%0.152CC..  trans-145.9159163.300000107.6G656G652-G656 PolarHBondContact O-N 3.03Å
653G63.5Low72.6Confident2 Ų226 Ų262%0.02115%0.152CC..Hα-helixtrans83.4-153.1159.400000115Y233 A245 G655 G656 L657Y233-G653 WeakPolarHBondContact OH-CA 3.25Å; A245-G653 WeakPolarHBondContact O-CA 3.4Å; G653-G655 VanDerWaalsContact C-N 3.26Å; G653-G655 PolarHBondContact O-N 3.11Å; G653-G656 PolarHBondContact O-N 3.38Å; G653-L657 PolarHBondContact O-N 3.42Å
654Q62.9Low71.2Confident87 Ų8729.9 Ų29.941%0.40717%0.173SC..Hα-helixtrans-59-36.5169.6-74.3-179.9-700112.2Y233 G494 L495 G656 L657 S658Y233-Q654 PolarHBondContact OH-N 3.46Å; G494-Q654 PolarHBondContact O-NE2 3.17Å; L495-Q654 HydrophobicContact CD2-CG 3.53Å; Q654-G656 VanDerWaalsContact C-N 3.31Å; Q654-G656 PolarHBondContact O-N 2.93Å; Q654-L657 PolarHBondContact O-N 2.95Å; Q654-S658 WeakPolarHBondContact O-CB 3.45Å; Q654-S658 PolarHBondContact O-N 2.72Å; Q654-S658 PolarHBondContact O-OG 3.49Å
655G64Low69.2Low18 Ų1841.7 Ų41.719%0.18623%0.231CC..Hα-helixtrans-62.2-35.5176.100000113.4P249 G653 S658P249-G655 PolarHBondContact O-N 2.96Å; P249-G655 VanDerWaalsContact O-N 3.14Å; G653-G655 VanDerWaalsContact C-N 3.26Å; G653-G655 PolarHBondContact O-N 3.11Å; G655-S658 PolarHBondContact O-OG 3.15Å
656G67.3Low68.2Low1 Ų143.8 Ų43.81%0.0124%0.243CC..Hα-helixtrans-68.3-43.1171.900000112.8G652 G653 Q654 S659G652-G656 PolarHBondContact O-N 3.03Å; G653-G656 PolarHBondContact O-N 3.38Å; Q654-G656 VanDerWaalsContact C-N 3.31Å; Q654-G656 PolarHBondContact O-N 2.93Å; G656-S659 PolarHBondContact O-OG 3.22Å
657L68.4Low67.3Low1 Ų146.1 Ų46.11%0.00526%0.256CS..Hα-helixtrans-74.2-30-179.6-71.2173.8000113.8L230 Y233 L448 L495 G653 Q654 S659 L660 L661L230-L657 HydrophobicContact CD2-CD2 3.63Å; L230-L657 HydrophobicContact CG-CD2 4.27Å; Y233-L657 HydrophobicContact CD2-CD1 4.17Å; Y233-L657 HydrophobicContact CE2-CD1 3.7Å; Y233-L657 HydrophobicContact CE2-CG 4.37Å; L448-L657 HydrophobicContact CD2-CD1 4.26Å; L495-L657 HydrophobicContact CB-CD1 4.24Å; L495-L657 HydrophobicContact CD1-CD1 3.8Å; L495-L657 HydrophobicContact CD2-CD1 3.88Å; L495-L657 HydrophobicContact CG-CD1 4.19Å; G653-L657 PolarHBondContact O-N 3.42Å; Q654-L657 PolarHBondContact O-N 2.95Å; L657-S659 PolarHBondContact O-N 3.3Å; L657-L660 HydrophobicContact CD2-CD1 3.99Å; L657-L660 WeakPolarHBondContact O-CA 3.49Å; L657-L660 VanDerWaalsContact O-CB 3.26Å; L657-L660 WeakPolarHBondContact O-CB 3.48Å; L657-L660 PolarHBondContact O-N 2.98Å; L657-L661 PolarHBondContact O-N 3.21Å
658S66.8Low66.6Low69 Ų6948.4 Ų48.448%0.48327%0.269SS..Hα-helixtrans-62.5-30.4-179.466.30000112Q654 G655 L660 L661Q654-S658 WeakPolarHBondContact O-CB 3.45Å; Q654-S658 PolarHBondContact O-N 2.72Å; Q654-S658 PolarHBondContact O-OG 3.49Å; G655-S658 PolarHBondContact O-OG 3.15Å; S658-L660 PolarHBondContact O-N 3.38Å; S658-L661 CarbonylContact O-C 3.54Å; S658-L661 PolarHBondContact O-N 3.31Å
659S63.9Low66.2Low69 Ų6950.2 Ų50.248%0.48328%0.277SS..THydrogen-bonded Turntrans-59.2-24.7171.574.10000113.5G656 L657G656-S659 PolarHBondContact O-OG 3.22Å; L657-S659 PolarHBondContact O-N 3.3Å
660L69.6Low65.9Low18 Ų1853.3 Ų53.39%0.09429%0.294CS..THydrogen-bonded Turntrans-86.8-20174.5-56.3172.2000112.4P226 N508 F512 L657 S658P226-L660 HydrophobicContact CB-CD1 3.79Å; P226-L660 HydrophobicContact CB-CD2 4.02Å; N508-L660 WeakPolarHBondContact CB-O 3.44Å; F512-L660 HydrophobicContact CD2-CD2 3.32Å; F512-L660 HydrophobicContact CE2-CD2 3.71Å; F512-L660 HydrophobicContact CG-CD2 4.02Å; L657-L660 HydrophobicContact CD2-CD1 3.99Å; L657-L660 WeakPolarHBondContact O-CA 3.49Å; L657-L660 VanDerWaalsContact O-CB 3.26Å; L657-L660 WeakPolarHBondContact O-CB 3.48Å; L657-L660 PolarHBondContact O-N 2.98Å; S658-L660 PolarHBondContact O-N 3.38Å
661L73.4Confident65.3Low13 Ų1356.7 Ų56.77%0.06831%0.313CS..  trans-105.484.6-172.7-60.7179.1000110.5F447 L495 I496 L500 L505 N508 L657 S658 M663F447-L661 HydrophobicContact CE1-CD2 4.35Å; F447-L661 HydrophobicContact CE2-CD2 4Å; F447-L661 HydrophobicContact CZ-CD2 3.65Å; L495-L661 WeakPolarHBondContact O-CD1 3.37Å; I496-L661 HydrophobicContact CG1-CD1 4.43Å; L500-L661 HydrophobicContact CD2-CB 4.36Å; L500-L661 HydrophobicContact CD2-CD2 3.97Å; L505-L661 HydrophobicContact CD2-CD2 3.77Å; N508-L661 WeakPolarHBondContact ND2-CA 3.48Å; L657-L661 PolarHBondContact O-N 3.21Å; S658-L661 CarbonylContact O-C 3.54Å; S658-L661 PolarHBondContact O-N 3.31Å; L661-M663 PolarHBondContact O-N 3.37Å
662L69.1Low65Low99 Ų9959.6 Ų59.652%0.51833%0.328SS..  trans-64127.5166.5-59.3168.9000108.6L500 N508L500-L662 VanDerWaalsContact CD1-O 3.26Å; L500-L662 WeakPolarHBondContact CD1-O 3.44Å; N508-L662 PolarHBondContact ND2-N 3.34Å; N508-L662 PolarHBondContact ND2-O 3.46Å; N508-L662 WeakPolarHBondContact OD1-CB 3.41Å; N508-L662 PolarHBondContact OD1-N 2.85Å
663M66.7Low65.1Low105 Ų10563.6 Ų63.652%0.51735%0.348SS..  trans-79.3157.8177.9-55.1-161.687.300111P497 C499 L661 M665P497-M663 HydrophobicContact CB-CE 3.7Å; P497-M663 HydrophobicContact CG-CE 3.8Å; C499-M663 WeakPolarHBondContact SG-CE 3.48Å; L661-M663 PolarHBondContact O-N 3.37Å; M663-M665 PolarHBondContact O-N 3.01Å
664D62.9Low65.2Low84 Ų8468.8 Ų68.845%0.44938%0.375SS..  trans-56.4109.8167.3-68.8-78000108.1S501 N504S501-D664 PolarHBondContact N-OD2 3.47Å; N504-D664 PolarHBondContact ND2-OD1 3.22Å; N504-D664 PolarHBondContact ND2-OD2 3.26Å
665M47.4Very low65.4Low261 Ų26167.1 Ų67.1100%1.28637%0.373SS*.  trans-81.10170.6-76.6-151.3-6800110.9M663M663-M665 PolarHBondContact O-N 3.01Å

Retrieved 665 of 665 residues in 1601.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).