A0A087WTI9_HUMAN Loading...

Leucine-rich repeat-containing protein 41

AlphaFold DB , UniProt , Accession A0A087WTI9, Species HUMAN (Homo sapiens, Human), Gene LRRC41, Length 227 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
1P37.4Very low50.1Low168 Ų168138.3 Ų138.3100%1.09177%0.772SS**  0117.2019.52.4000110.3S3P1-S3 PolarHBondContact O-N 3.11Å; P1-S3 VanDerWaalsContact O-N 3.11Å
2P39.5Very low53.1Low130 Ų130135.3 Ų135.384%0.84476%0.763SS**  trans-70.1113.1175.528.9-27.9000107.6H4P2-H4 PolarHBondContact O-N 3.22Å
3S41.1Very low55.9Low96 Ų96139.2 Ų139.267%0.67177%0.771SS**  trans-64.4112.5170.144.30000108.4P1 I5P1-S3 PolarHBondContact O-N 3.11Å; P1-S3 VanDerWaalsContact O-N 3.11Å; S3-I5 PolarHBondContact O-N 3.17Å; S3-I5 VanDerWaalsContact O-N 3.17Å
4H48.5Very low58.4Low193 Ų193132.9 Ų132.989%0.89474%0.735SS**  trans-47116.7156.6-86.4-83.7000108.9P2P2-H4 PolarHBondContact O-N 3.22Å
5I43.5Very low60.6Low140 Ų140131.3 Ų131.372%0.71874%0.735SS**  trans-11298.7164.8-60.8-177.8000105.8S3S3-I5 PolarHBondContact O-N 3.17Å; S3-I5 VanDerWaalsContact O-N 3.17Å
6I43.8Very low62.7Low145 Ų145126.9 Ų126.974%0.74471%0.709SS**  trans37.2102.8144-49.1174.8000113.7
7G39.9Very low64.6Low63 Ų63125.5 Ų125.565%0.64970%0.696SS**  trans-55.7157.1170.900000111.9E9G7-E9 PolarHBondContact O-N 2.9Å
8D45.3Very low66.4Low171 Ų171124.4 Ų124.491%0.91469%0.685SS**  trans-51.382.2166.2-64.9-55.3000110.3E10D8-E10 PolarHBondContact O-N 2.72Å
9E55.3Low67.8Low176 Ų176119.4 Ų119.482%0.82266%0.657SS**  trans-67.693.5161.5-86.5-168.1158.600106.3G7 I11G7-E9 PolarHBondContact O-N 2.9Å; E9-I11 PolarHBondContact O-N 3.11Å; E9-I11 VanDerWaalsContact O-N 3.11Å
10E73.6Confident69.1Low184 Ų184120.6 Ų120.686%0.8666%0.657SS**  trans-61112174.7-161.9170-157.800107.8D8 P12D8-E10 PolarHBondContact O-N 2.72Å; E10-P12 WeakPolarHBondContact O-CD 3.49Å
11I83.3Confident70Confident55 Ų55117.1 Ų117.128%0.28264%0.637SS.*PPolyproline II helixtrans-63.6120.4178.8-60.3179.1000106.8E9 L32 V36 A39E9-I11 PolarHBondContact O-N 3.11Å; E9-I11 VanDerWaalsContact O-N 3.11Å; I11-L32 HydrophobicContact CD1-CD1 4.27Å; I11-V36 HydrophobicContact CD1-CB 4.43Å; I11-V36 HydrophobicContact CD1-CG2 3.57Å; I11-A39 HydrophobicContact CB-CB 4.09Å; I11-A39 HydrophobicContact CG2-CB 3.74Å; I11-A39 WeakPolarHBondContact O-CB 3.41Å
12P85.4Confident72.2Confident102 Ų102111.3 Ų111.366%0.66261%0.608SS**PPolyproline II helixtrans-64.4146.6-176.425.9-33.8000110.6E10 N14E10-P12 WeakPolarHBondContact O-CD 3.49Å; P12-N14 PolarHBondContact O-N 3.27Å; P12-N14 PolarHBondContact O-ND2 3.39Å
13E90Very high73.8Confident187 Ų187112.5 Ų112.587%0.87460%0.6SS**PPolyproline II helixtrans-49.8137.7173.4-73.1-173174.400110.8A39E13-A39 WeakPolarHBondContact CA-O 3.5Å
14N90.8Very high75.6Confident50 Ų50109.3 Ų109.327%0.26758%0.577SS.*  trans-140.3159.7-173.763.270.4000112.1P12 L16 A39 S40P12-N14 PolarHBondContact O-N 3.27Å; P12-N14 PolarHBondContact O-ND2 3.39Å; N14-L16 VanDerWaalsContact C-N 3.27Å; N14-L16 PolarHBondContact O-N 3.21Å; N14-L16 WeakPolarHBondContact OD1-CB 3.44Å; N14-L16 PolarHBondContact OD1-N 3.44Å; N14-L16 VanDerWaalsContact OD1-N 3.15Å; N14-A39 PolarHBondContact N-O 3.2Å; N14-A39 WeakPolarHBondContact ND2-CB 3.42Å; N14-A39 PolarHBondContact ND2-O 3.17Å; N14-S40 PolarHBondContact ND2-OG 2.94Å; N14-S40 WeakPolarHBondContact OD1-CA 3.5Å; N14-S40 WeakPolarHBondContact OD1-CB 3.4Å; N14-S40 PolarHBondContact OD1-OG 3.1Å
15C91.9Very high76.9Confident109 Ų109112.1 Ų112.174%0.73658%0.58SS**  trans-93.229.3179.2-55.20000112.2E17C15-E17 PolarHBondContact O-N 3Å; C15-E17 VanDerWaalsContact O-N 3.15Å
16L93.8Very high78.7Confident61 Ų61107.7 Ų107.732%0.31957%0.568SS.*  trans-65.1117.2-178.9-173.370.1000109.7N14 Q18 L19 S42 L43N14-L16 VanDerWaalsContact C-N 3.27Å; N14-L16 PolarHBondContact O-N 3.21Å; N14-L16 WeakPolarHBondContact OD1-CB 3.44Å; N14-L16 PolarHBondContact OD1-N 3.44Å; N14-L16 VanDerWaalsContact OD1-N 3.15Å; L16-Q18 VanDerWaalsContact CD1-O 3.3Å; L16-Q18 WeakPolarHBondContact CD1-O 3.04Å; L16-L19 HydrophobicContact CD2-CB 4.04Å; L16-L19 HydrophobicContact CD2-CD1 4.33Å; L16-S42 CarbonylContact O-C 3.53Å; L16-L43 HydrophobicContact CD2-CD1 4.28Å; L16-L43 HydrophobicContact CG-CD1 4.19Å; L16-L43 WeakPolarHBondContact O-CA 3.5Å; L16-L43 PolarHBondContact O-N 3.46Å; L16-L43 VanDerWaalsContact O-N 3.17Å
17E95.3Very high80.7Confident103 Ų103103.7 Ų103.748%0.48156%0.557SS.*  trans-95.7-21.7179.6-62.5-172.6176.300113C15 Q44 Q45C15-E17 PolarHBondContact O-N 3Å; C15-E17 VanDerWaalsContact O-N 3.15Å; E17-Q44 WeakPolarHBondContact O-CA 3.43Å; E17-Q44 PolarHBondContact O-N 3.46Å; E17-Q45 PolarHBondContact O-N 3.42Å
18Q96.1Very high82.9Confident107 Ų107102.3 Ų102.350%0.553%0.534SS..EExtended strand (participates in β ladder)trans-140.7130.6-176.2-57.2-173.2-2.300110.5L16 Q45L16-Q18 VanDerWaalsContact CD1-O 3.3Å; L16-Q18 WeakPolarHBondContact CD1-O 3.04Å; Q18-Q45 WeakPolarHBondContact CA-O 3.38Å; Q18-Q45 HydrophobicContact CG-CB 4.11Å; Q18-Q45 HydrophobicContact CG-CG 4.18Å
19L94.2Very high85Confident29 Ų2997.7 Ų97.715%0.15251%0.513CS..EExtended strand (participates in β ladder)trans-129.9122.4175.5178.358.5000108.9L16 M21 L33 V36 L37 L43 Q45 L46 S47L16-L19 HydrophobicContact CD2-CB 4.04Å; L16-L19 HydrophobicContact CD2-CD1 4.33Å; L19-M21 HydrophobicContact CD1-CG 4.32Å; L19-L33 HydrophobicContact CD2-CD1 4.2Å; L19-V36 HydrophobicContact CD2-CG1 4.18Å; L19-L37 HydrophobicContact CD2-CD2 4.29Å; L19-L43 HydrophobicContact CB-CD1 3.8Å; L19-Q45 PolarHBondContact N-O 3.48Å; L19-L46 HydrophobicContact CB-CD1 3.93Å; L19-L46 HydrophobicContact CD2-CD1 3.91Å; L19-L46 HydrophobicContact CG-CD1 3.87Å; L19-L46 CarbonylContact O-C 3.48Å; L19-L46 WeakPolarHBondContact O-CA 3.46Å; L19-S47 PolarHBondContact O-N 3.17Å
20E93.1Very high86.8Confident142 Ų14289.5 Ų89.566%0.66448%0.475SS*.EExtended strand (participates in β ladder)trans-125.7126.8175-59.2-169.2170.300109.4S47E20-S47 CarbonylContact C-O 3.52Å; E20-S47 WeakPolarHBondContact CA-O 3.45Å
21M88.3Confident87.7Confident49 Ų4985.2 Ų85.224%0.24146%0.463CS..EExtended strand (participates in β ladder)trans-125.2116.8174.5-62.4179.364.300108.3L19 L33 S47 L48 D49L19-M21 HydrophobicContact CD1-CG 4.32Å; M21-L33 HydrophobicContact SD-CD1 3.88Å; M21-S47 PolarHBondContact N-O 3.28Å; M21-L48 HydrophobicContact CB-CD2 3.83Å; M21-L48 HydrophobicContact CG-CD2 4.12Å; M21-L48 CarbonylContact O-C 3.38Å; M21-L48 WeakPolarHBondContact O-CA 3.44Å; M21-L48 HydrophobicContact SD-CD2 3.92Å; M21-D49 PolarHBondContact O-N 2.9Å
22G83.6Confident88.1Confident45 Ų4587.4 Ų87.446%0.46448%0.475SS..EExtended strand (participates in β ladder)trans-131140.3179.600000112.8P24 D49G22-P24 VanDerWaalsContact C-CD 3.47Å; G22-D49 WeakPolarHBondContact CA-O 3.46Å
23F74.1Confident88.5Confident156 Ų15683.1 Ų83.168%0.68445%0.447SS*.SBendtrans55.142.9177.3-48.9-80.4000115R25 D49F23-R25 PolarHBondContact O-N 3.47Å; F23-D49 PolarHBondContact N-O 3.27Å
24P77.5Confident88.7Confident29 Ų2974.8 Ų74.819%0.18841%0.409CS..  trans-69139.1-179.333.7-36.8000110.5G22 G26 Q28 D49 A51G22-P24 VanDerWaalsContact C-CD 3.47Å; P24-G26 PolarHBondContact O-N 3.28Å; P24-Q28 VanDerWaalsContact CB-CD 3.47Å; P24-Q28 HydrophobicContact CB-CG 4.24Å; P24-Q28 HydrophobicContact CG-CG 4.04Å; P24-D49 WeakPolarHBondContact CD-O 3.38Å; P24-A51 HydrophobicContact CG-CB 3.82Å
25R75.8Confident88.9Confident252 Ų25274.8 Ų74.895%0.95141%0.413SS*.SBendtrans-80109179.3-64.8-174.2-174.9-162.52.1109.6F23F23-R25 PolarHBondContact O-N 3.47Å
26G81.6Confident89Confident46 Ų4671.4 Ų71.447%0.47439%0.389SS..SBendtrans86.2179.9175.900000114.4P24 Q28 T52P24-G26 PolarHBondContact O-N 3.28Å; G26-Q28 PolarHBondContact O-N 3.02Å; G26-Q28 PolarHBondContact O-NE2 2.7Å; G26-T52 PolarHBondContact O-OG1 2.73Å
27A85.5Confident89.1Confident61 Ų6168.5 Ų68.550%0.50437%0.373SS..EExtended strand (participates in β ladder)trans-66.6131.3-177.800000111.1T52A27-T52 CarbonylContact C-O 3.51Å; A27-T52 WeakPolarHBondContact CA-O 3.48Å; A27-T52 WeakPolarHBondContact CA-OG1 3.49Å
28Q86.4Confident89.1Confident35 Ų3568.4 Ų68.416%0.16437%0.371CS..EExtended strand (participates in β ladder)trans-79.7135.4-179.6-60.9-50.9-80.200110.3P24 G26 A30 A51 T52 F53P24-Q28 VanDerWaalsContact CB-CD 3.47Å; P24-Q28 HydrophobicContact CB-CG 4.24Å; P24-Q28 HydrophobicContact CG-CG 4.04Å; G26-Q28 PolarHBondContact O-N 3.02Å; G26-Q28 PolarHBondContact O-NE2 2.7Å; Q28-A30 PolarHBondContact O-N 3.15Å; Q28-A51 HydrophobicContact CG-CB 4.28Å; Q28-T52 WeakPolarHBondContact CB-O 3.49Å; Q28-T52 PolarHBondContact N-O 3.27Å; Q28-F53 HydrophobicContact CB-CD1 4.04Å; Q28-F53 HydrophobicContact CB-CE1 3.85Å; Q28-F53 HydrophobicContact CB-CZ 4.47Å
29P89.8Confident89.1Confident73 Ų7363.6 Ų63.647%0.47435%0.35SS..  trans-70.3101.8173.427.3-30.9000109.1P31 L32 L33P29-P31 VanDerWaalsContact C-CD 3.42Å; P29-P31 VanDerWaalsContact C-N 3.32Å; P29-L32 HydrophobicContact CB-CB 4.2Å; P29-L32 HydrophobicContact CG-CB 3.94Å; P29-L32 HydrophobicContact CG-CD2 4.05Å; P29-L32 PolarHBondContact O-N 3.15Å; P29-L32 VanDerWaalsContact O-N 3.15Å; P29-L33 PolarHBondContact O-N 3.29Å
30A92.7Very high89.2Confident4 Ų462.3 Ų62.33%0.03334%0.343CS..Hα-helixtrans-53.3-41.4177.200000113.6Q28 L32 L33 C34 F53 D58 V62Q28-A30 PolarHBondContact O-N 3.15Å; A30-L32 VanDerWaalsContact C-N 3.28Å; A30-L32 PolarHBondContact O-N 3.37Å; A30-L33 PolarHBondContact O-N 3.19Å; A30-C34 WeakPolarHBondContact O-CB 3.47Å; A30-C34 PolarHBondContact O-N 3.28Å; A30-C34 PolarHBondContact O-SG 3.37Å; A30-F53 HydrophobicContact CB-CD1 4.01Å; A30-F53 HydrophobicContact CB-CE1 4.33Å; A30-D58 HydrophobicContact CB-CB 3.66Å; A30-D58 WeakPolarHBondContact CB-O 3.49Å; A30-V62 HydrophobicContact CB-CG2 3.93Å
31P92.9Very high89.2Confident94 Ų9457.3 Ų57.361%0.6133%0.33SS*.Hα-helixtrans-57.4-40178.1-2735.9000113.3P29 C34 S35P29-P31 VanDerWaalsContact C-CD 3.42Å; P29-P31 VanDerWaalsContact C-N 3.32Å; P31-C34 WeakPolarHBondContact O-CB 3.46Å; P31-C34 PolarHBondContact O-N 3.47Å; P31-S35 PolarHBondContact O-N 3.07Å; P31-S35 PolarHBondContact O-OG 2.71Å
32L91.4Very high89.6Confident101 Ų10157.6 Ų57.653%0.52934%0.337SS..Hα-helixtrans-66.8-45.7178.7-178.764.2000111.2I11 P29 A30 C34 S35 V36I11-L32 HydrophobicContact CD1-CD1 4.27Å; P29-L32 HydrophobicContact CB-CB 4.2Å; P29-L32 HydrophobicContact CG-CB 3.94Å; P29-L32 HydrophobicContact CG-CD2 4.05Å; P29-L32 PolarHBondContact O-N 3.15Å; P29-L32 VanDerWaalsContact O-N 3.15Å; A30-L32 VanDerWaalsContact C-N 3.28Å; A30-L32 PolarHBondContact O-N 3.37Å; L32-C34 VanDerWaalsContact C-N 3.31Å; L32-C34 PolarHBondContact O-N 3.24Å; L32-S35 PolarHBondContact O-N 2.9Å; L32-V36 WeakPolarHBondContact O-CG2 3.4Å; L32-V36 PolarHBondContact O-N 2.84Å
33L92.9Very high90.2Very high13 Ų1355.4 Ų55.47%0.06832%0.315CS..Hα-helixtrans-62.2-41.2176.5-177.956.8000111L19 M21 P29 A30 S35 V36 L37 L48 F53 V62L19-L33 HydrophobicContact CD2-CD1 4.2Å; M21-L33 HydrophobicContact SD-CD1 3.88Å; P29-L33 PolarHBondContact O-N 3.29Å; A30-L33 PolarHBondContact O-N 3.19Å; L33-S35 PolarHBondContact O-N 3.42Å; L33-V36 PolarHBondContact O-N 3.46Å; L33-L37 HydrophobicContact CD1-CD1 4.43Å; L33-L37 HydrophobicContact CD1-CG 4.23Å; L33-L37 HydrophobicContact CG-CD1 4.12Å; L33-L37 HydrophobicContact CG-CG 4.38Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.24Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.04Å; L33-L48 HydrophobicContact CD2-CD1 4.48Å; L33-F53 HydrophobicContact CD2-CE1 4Å; L33-F53 HydrophobicContact CD2-CZ 3.79Å; L33-V62 HydrophobicContact CB-CG2 4.47Å; L33-V62 HydrophobicContact CD2-CB 4.5Å; L33-V62 HydrophobicContact CD2-CG1 3.62Å; L33-V62 HydrophobicContact CD2-CG2 4.01Å; L33-V62 HydrophobicContact CG-CG1 4.12Å; L33-V62 HydrophobicContact CG-CG2 4.39Å
34C95.6Very high91.3Very high12 Ų1250.6 Ų50.68%0.08129%0.294CS..Hα-helixtrans-58.2-45.5173.4-71.90000111.8A30 P31 L32 V36 L37 K38 T65A30-C34 WeakPolarHBondContact O-CB 3.47Å; A30-C34 PolarHBondContact O-N 3.28Å; A30-C34 PolarHBondContact O-SG 3.37Å; P31-C34 WeakPolarHBondContact O-CB 3.46Å; P31-C34 PolarHBondContact O-N 3.47Å; L32-C34 VanDerWaalsContact C-N 3.31Å; L32-C34 PolarHBondContact O-N 3.24Å; C34-V36 VanDerWaalsContact C-N 3.34Å; C34-V36 PolarHBondContact O-N 3.25Å; C34-L37 PolarHBondContact O-N 3.21Å; C34-K38 WeakPolarHBondContact O-CB 3.24Å; C34-K38 VanDerWaalsContact O-CG 3.24Å; C34-K38 WeakPolarHBondContact O-CG 3.47Å; C34-K38 PolarHBondContact O-N 3.47Å; C34-T65 HydrophobicContact CB-CG2 4.26Å; C34-T65 PolarHBondContact SG-OG1 2.81Å
35S94.9Very high92.2Very high50 Ų5051.3 Ų51.335%0.3530%0.295SS..Hα-helixtrans-61.3-41.5176.6-63.50000112.3P31 L32 L33 K38 A39P31-S35 PolarHBondContact O-N 3.07Å; P31-S35 PolarHBondContact O-OG 2.71Å; L32-S35 PolarHBondContact O-N 2.9Å; L33-S35 PolarHBondContact O-N 3.42Å; S35-K38 PolarHBondContact O-N 3.28Å; S35-A39 WeakPolarHBondContact O-CB 3.24Å; S35-A39 PolarHBondContact O-N 2.91Å; S35-A39 VanDerWaalsContact O-N 3.1Å
36V94.2Very high93.2Very high38 Ų3839.5 Ų39.523%0.2325%0.251CS..Hα-helixtrans-61.4-48.3175.3172.70000110.4I11 L19 L32 L33 C34 K38 A39 S40I11-V36 HydrophobicContact CD1-CB 4.43Å; I11-V36 HydrophobicContact CD1-CG2 3.57Å; L19-V36 HydrophobicContact CD2-CG1 4.18Å; L32-V36 WeakPolarHBondContact O-CG2 3.4Å; L32-V36 PolarHBondContact O-N 2.84Å; L33-V36 PolarHBondContact O-N 3.46Å; C34-V36 VanDerWaalsContact C-N 3.34Å; C34-V36 PolarHBondContact O-N 3.25Å; V36-K38 VanDerWaalsContact C-N 3.34Å; V36-K38 PolarHBondContact O-N 3.48Å; V36-A39 PolarHBondContact O-N 2.88Å; V36-S40 WeakPolarHBondContact O-CB 3.39Å; V36-S40 PolarHBondContact O-N 3.49Å; V36-S40 PolarHBondContact O-OG 3.19Å
37L95.5Very high93.9Very high0 Ų038.6 Ų38.60%024%0.237CC..Hα-helixtrans-62.5-39.7-179.4-69.7175.8000112.7L19 L33 C34 A39 S40 L43 L46 V62 T65 L66 N70L19-L37 HydrophobicContact CD2-CD2 4.29Å; L33-L37 HydrophobicContact CD1-CD1 4.43Å; L33-L37 HydrophobicContact CD1-CG 4.23Å; L33-L37 HydrophobicContact CG-CD1 4.12Å; L33-L37 HydrophobicContact CG-CG 4.38Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.24Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.04Å; C34-L37 PolarHBondContact O-N 3.21Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-S40 PolarHBondContact O-N 3.46Å; L37-L43 HydrophobicContact CD2-CD2 3.86Å; L37-L46 HydrophobicContact CD2-CD2 4.47Å; L37-V62 HydrophobicContact CD1-CG1 3.84Å; L37-T65 HydrophobicContact CB-CG2 3.91Å; L37-T65 HydrophobicContact CD1-CG2 4.5Å; L37-L66 HydrophobicContact CD1-CD2 3.54Å; L37-L66 HydrophobicContact CD1-CG 3.78Å; L37-L66 HydrophobicContact CD2-CD2 3.51Å; L37-L66 HydrophobicContact CG-CD2 4.08Å; L37-N70 PolarHBondContact O-ND2 3.03Å
38K96.1Very high94.2Very high100 Ų10035.7 Ų35.744%0.43521%0.213SC..Hα-helixtrans-60.7-42.2174.5-74.1173.8179.5-177.80112.1C34 S35 V36 S40 T65 Y69C34-K38 WeakPolarHBondContact O-CB 3.24Å; C34-K38 VanDerWaalsContact O-CG 3.24Å; C34-K38 WeakPolarHBondContact O-CG 3.47Å; C34-K38 PolarHBondContact O-N 3.47Å; S35-K38 PolarHBondContact O-N 3.28Å; V36-K38 VanDerWaalsContact C-N 3.34Å; V36-K38 PolarHBondContact O-N 3.48Å; K38-S40 VanDerWaalsContact C-N 3.28Å; K38-S40 PolarHBondContact O-N 3.11Å; K38-T65 HydrophobicContact CG-CG2 3.83Å; K38-Y69 HydrophobicContact CB-CD1 4.07Å; K38-Y69 HydrophobicContact CB-CE1 4.28Å; K38-Y69 HydrophobicContact CB-CG 4.3Å; K38-Y69 HydrophobicContact CD-CE1 4.46Å; K38-Y69 HydrophobicContact CD-CE2 4.27Å; K38-Y69 HydrophobicContact CG-CD1 3.85Å; K38-Y69 HydrophobicContact CG-CD2 3.76Å; K38-Y69 HydrophobicContact CG-CE1 3.86Å; K38-Y69 HydrophobicContact CG-CE2 3.78Å; K38-Y69 HydrophobicContact CG-CG 3.8Å
39A95.4Very high94.5Very high7 Ų735.9 Ų35.96%0.05822%0.215CC..Hα-helixtrans-73.1-20.4178.200000113.2I11 E13 N14 S35 V36 L37 G41I11-A39 HydrophobicContact CB-CB 4.09Å; I11-A39 HydrophobicContact CG2-CB 3.74Å; I11-A39 WeakPolarHBondContact O-CB 3.41Å; E13-A39 WeakPolarHBondContact CA-O 3.5Å; N14-A39 PolarHBondContact N-O 3.2Å; N14-A39 WeakPolarHBondContact ND2-CB 3.42Å; N14-A39 PolarHBondContact ND2-O 3.17Å; S35-A39 WeakPolarHBondContact O-CB 3.24Å; S35-A39 PolarHBondContact O-N 2.91Å; S35-A39 VanDerWaalsContact O-N 3.1Å; V36-A39 PolarHBondContact O-N 2.88Å; L37-A39 VanDerWaalsContact C-N 3.33Å; A39-G41 PolarHBondContact O-N 2.89Å
40S95.9Very high94.5Very high1 Ų133.9 Ų33.91%0.00720%0.203CC..  trans-10154.7-174-63.10000113.4N14 V36 L37 K38 S42 L43 N70N14-S40 PolarHBondContact ND2-OG 2.94Å; N14-S40 WeakPolarHBondContact OD1-CA 3.5Å; N14-S40 WeakPolarHBondContact OD1-CB 3.4Å; N14-S40 PolarHBondContact OD1-OG 3.1Å; V36-S40 WeakPolarHBondContact O-CB 3.39Å; V36-S40 PolarHBondContact O-N 3.49Å; V36-S40 PolarHBondContact O-OG 3.19Å; L37-S40 PolarHBondContact O-N 3.46Å; K38-S40 VanDerWaalsContact C-N 3.28Å; K38-S40 PolarHBondContact O-N 3.11Å; S40-S42 PolarHBondContact O-N 2.91Å; S40-S42 VanDerWaalsContact O-N 3.09Å; S40-L43 WeakPolarHBondContact O-CB 3.47Å; S40-L43 PolarHBondContact O-N 2.77Å; S40-N70 PolarHBondContact O-ND2 2.92Å
41G93.6Very high94.4Very high38 Ų3833.9 Ų33.939%0.39220%0.203SC..THydrogen-bonded Turntrans-59.5-22.5-179.700000115A39 L43A39-G41 PolarHBondContact O-N 2.89Å; G41-L43 VanDerWaalsContact C-N 3.3Å; G41-L43 PolarHBondContact O-N 3.24Å
42S95.6Very high94.2Very high54 Ų5433 Ų3338%0.37820%0.196SC..THydrogen-bonded Turntrans-84.13.1177.8-60.90000114.4L16 S40 Q44L16-S42 CarbonylContact O-C 3.53Å; S40-S42 PolarHBondContact O-N 2.91Å; S40-S42 VanDerWaalsContact O-N 3.09Å; S42-Q44 WeakPolarHBondContact O-CG 3.3Å; S42-Q44 PolarHBondContact O-N 3.43Å
43L97.1Very high94.2Very high0 Ų029.5 Ų29.50%018%0.177CC..  trans-62.9123.8-174-167.572.6000111.6L16 L19 L37 S40 G41 L46 A72 L73L16-L43 HydrophobicContact CD2-CD1 4.28Å; L16-L43 HydrophobicContact CG-CD1 4.19Å; L16-L43 WeakPolarHBondContact O-CA 3.5Å; L16-L43 PolarHBondContact O-N 3.46Å; L16-L43 VanDerWaalsContact O-N 3.17Å; L19-L43 HydrophobicContact CB-CD1 3.8Å; L37-L43 HydrophobicContact CD2-CD2 3.86Å; S40-L43 WeakPolarHBondContact O-CB 3.47Å; S40-L43 PolarHBondContact O-N 2.77Å; G41-L43 VanDerWaalsContact C-N 3.3Å; G41-L43 PolarHBondContact O-N 3.24Å; L43-L46 HydrophobicContact CD2-CB 4.22Å; L43-A72 CarbonylContact O-C 3.59Å; L43-A72 VanDerWaalsContact O-C 3.23Å; L43-L73 HydrophobicContact CD2-CD1 4.14Å; L43-L73 HydrophobicContact CG-CD1 4.07Å; L43-L73 VanDerWaalsContact O-CA 3.23Å; L43-L73 WeakPolarHBondContact O-CA 3.46Å; L43-L73 PolarHBondContact O-N 2.88Å; L43-L73 VanDerWaalsContact O-N 3.12Å
44Q96.9Very high94.2Very high54 Ų5432.9 Ų32.925%0.25221%0.206SC..  trans-109.3-30.4-179.3-60.3-171.843.900112.9E17 S42 K74 R75E17-Q44 WeakPolarHBondContact O-CA 3.43Å; E17-Q44 PolarHBondContact O-N 3.46Å; S42-Q44 WeakPolarHBondContact O-CG 3.3Å; S42-Q44 PolarHBondContact O-N 3.43Å; Q44-K74 PolarHBondContact O-N 2.74Å; Q44-R75 PolarHBondContact O-N 2.98Å
45Q96.8Very high94.1Very high44 Ų4433.8 Ų33.821%0.20621%0.213CC..EExtended strand (participates in β ladder)trans-130.5131.1176.7-47.4-161.8131.300111.2E17 Q18 L19 R75E17-Q45 PolarHBondContact O-N 3.42Å; Q18-Q45 WeakPolarHBondContact CA-O 3.38Å; Q18-Q45 HydrophobicContact CG-CB 4.11Å; Q18-Q45 HydrophobicContact CG-CG 4.18Å; L19-Q45 PolarHBondContact N-O 3.48Å; Q45-R75 WeakPolarHBondContact CA-O 3.18Å; Q45-R75 HydrophobicContact CG-CB 4.33Å; Q45-R75 VanDerWaalsContact OE1-CZ 3.29Å
46L96.4Very high93.9Very high5 Ų533.8 Ų33.83%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-125.7130.8170.9175.263.4000110.4L19 L37 L43 L48 L66 L73 R75 L76 S77 F78L19-L46 HydrophobicContact CB-CD1 3.93Å; L19-L46 HydrophobicContact CD2-CD1 3.91Å; L19-L46 HydrophobicContact CG-CD1 3.87Å; L19-L46 CarbonylContact O-C 3.48Å; L19-L46 WeakPolarHBondContact O-CA 3.46Å; L37-L46 HydrophobicContact CD2-CD2 4.47Å; L43-L46 HydrophobicContact CD2-CB 4.22Å; L46-L48 HydrophobicContact CD1-CD2 4Å; L46-L48 HydrophobicContact CD1-CG 4.31Å; L46-L48 HydrophobicContact CG-CG 4.43Å; L46-L66 HydrophobicContact CD2-CD1 3.58Å; L46-L66 HydrophobicContact CD2-CD2 3.37Å; L46-L66 HydrophobicContact CD2-CG 4.12Å; L46-L73 HydrophobicContact CB-CD1 4.05Å; L46-R75 PolarHBondContact N-O 3.29Å; L46-L76 HydrophobicContact CB-CD1 3.9Å; L46-L76 HydrophobicContact CD2-CD1 3.81Å; L46-L76 HydrophobicContact CG-CD1 3.99Å; L46-L76 CarbonylContact O-C 3.51Å; L46-L76 WeakPolarHBondContact O-CA 3.41Å; L46-S77 PolarHBondContact O-N 3.15Å; L46-F78 HydrophobicContact CD2-CE1 4.5Å
47S95.7Very high93.9Very high26 Ų2638.4 Ų38.418%0.18223%0.231CC..EExtended strand (participates in β ladder)trans-126.9124.6171.4-165.40000111.2L19 E20 M21 S77L19-S47 PolarHBondContact O-N 3.17Å; E20-S47 CarbonylContact C-O 3.52Å; E20-S47 WeakPolarHBondContact CA-O 3.45Å; M21-S47 PolarHBondContact N-O 3.28Å; S47-S77 CarbonylContact C-O 3.55Å; S47-S77 VanDerWaalsContact CA-O 3.23Å; S47-S77 WeakPolarHBondContact CA-O 3.22Å
48L93.4Very high93.9Very high1 Ų140.4 Ų40.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-118.7120.8170-54.7179.3000109.2M21 L33 L46 F59 S77 F78 H79 M81M21-L48 HydrophobicContact CB-CD2 3.83Å; M21-L48 HydrophobicContact CG-CD2 4.12Å; M21-L48 CarbonylContact O-C 3.38Å; M21-L48 WeakPolarHBondContact O-CA 3.44Å; M21-L48 HydrophobicContact SD-CD2 3.92Å; L33-L48 HydrophobicContact CD2-CD1 4.48Å; L46-L48 HydrophobicContact CD1-CD2 4Å; L46-L48 HydrophobicContact CD1-CG 4.31Å; L46-L48 HydrophobicContact CG-CG 4.43Å; L48-F59 HydrophobicContact CD1-CE2 4.24Å; L48-S77 PolarHBondContact N-O 3.4Å; L48-F78 HydrophobicContact CB-CD1 3.78Å; L48-F78 HydrophobicContact CB-CE1 4.1Å; L48-F78 HydrophobicContact CD1-CD1 4.12Å; L48-F78 HydrophobicContact CD1-CE1 3.64Å; L48-F78 HydrophobicContact CD1-CZ 4.39Å; L48-F78 HydrophobicContact CG-CD1 4.04Å; L48-F78 HydrophobicContact CG-CE1 3.82Å; L48-F78 CarbonylContact O-C 3.57Å; L48-F78 VanDerWaalsContact O-CA 3.3Å; L48-F78 WeakPolarHBondContact O-CA 3.32Å; L48-H79 PolarHBondContact O-N 3.38Å; L48-M81 HydrophobicContact CB-CE 4.33Å; L48-M81 HydrophobicContact CB-SD 4.18Å; L48-M81 HydrophobicContact CD1-CE 4.34Å
49D92.7Very high93.8Very high38 Ų3836 Ų3620%0.20322%0.222CC..EExtended strand (participates in β ladder)trans-121.4120.1-179.5-176.7-15.4000110.2M21 G22 F23 P24 A51 H79M21-D49 PolarHBondContact O-N 2.9Å; G22-D49 WeakPolarHBondContact CA-O 3.46Å; F23-D49 PolarHBondContact N-O 3.27Å; P24-D49 WeakPolarHBondContact CD-O 3.38Å; D49-A51 PolarHBondContact O-N 3.3Å; D49-A51 VanDerWaalsContact O-N 3.11Å; D49-H79 HydrophobicContact CB-CB 4.16Å; D49-H79 IonicContact OD1-CD2 3.27Å; D49-H79 PolarHBondContact OD1-CD2 2.73Å; D49-H79 VanDerWaalsContact OD1-CD2 3.27Å; D49-H79 IonicContact OD1-CG 3.87Å; D49-H79 IonicContact OD2-CD2 3.99Å
50S89.4Confident93.8Very high31 Ų3135.8 Ų35.822%0.21722%0.221CC..SBendtrans56.628.2176.1-51.80000112.6H79S50-H79 PolarHBondContact N-O 3.45Å
51A89.4Confident93.8Very high5 Ų539.9 Ų39.94%0.04124%0.242CC..  trans-79.4135.2176.500000110.2P24 Q28 D49 M81P24-A51 HydrophobicContact CG-CB 3.82Å; Q28-A51 HydrophobicContact CG-CB 4.28Å; D49-A51 PolarHBondContact O-N 3.3Å; D49-A51 VanDerWaalsContact O-N 3.11Å; A51-M81 HydrophobicContact CB-CE 3.74Å; A51-M81 HydrophobicContact CB-SD 3.66Å; A51-M81 PolarHBondContact N-SD 3.16Å; A51-M81 WeakPolarHBondContact O-CE 3.45Å
52T89.4Confident93.9Very high75 Ų7538.1 Ų38.146%0.4622%0.224SC..EExtended strand (participates in β ladder)trans-112.8146.8175.956.70000108.9G26 A27 Q28G26-T52 PolarHBondContact O-OG1 2.73Å; A27-T52 CarbonylContact C-O 3.51Å; A27-T52 WeakPolarHBondContact CA-O 3.48Å; A27-T52 WeakPolarHBondContact CA-OG1 3.49Å; Q28-T52 WeakPolarHBondContact CB-O 3.49Å; Q28-T52 PolarHBondContact N-O 3.27Å
53F91.4Very high93.9Very high28 Ų2835.7 Ų35.712%0.12321%0.206CC..EExtended strand (participates in β ladder)trans-118.2158.7173.1-65.9-85.3000108.7Q28 A30 L33 S55 D58 F59 V62 M81Q28-F53 HydrophobicContact CB-CD1 4.04Å; Q28-F53 HydrophobicContact CB-CE1 3.85Å; Q28-F53 HydrophobicContact CB-CZ 4.47Å; A30-F53 HydrophobicContact CB-CD1 4.01Å; A30-F53 HydrophobicContact CB-CE1 4.33Å; L33-F53 HydrophobicContact CD2-CE1 4Å; L33-F53 HydrophobicContact CD2-CZ 3.79Å; F53-S55 PolarHBondContact O-N 3.35Å; F53-D58 HydrophobicContact CB-CB 4.13Å; F53-F59 HydrophobicContact CB-CB 4.24Å; F53-F59 HydrophobicContact CD2-CB 3.61Å; F53-F59 AromaticContact CD2-CD2 3.54Å; F53-F59 HydrophobicContact CD2-CD2 3.54Å; F53-F59 HydrophobicContact CD2-CE2 4.35Å; F53-F59 AromaticContact CD2-CG 3.67Å; F53-F59 HydrophobicContact CD2-CG 3.67Å; F53-F59 HydrophobicContact CE2-CB 4.19Å; F53-F59 AromaticContact CE2-CD2 3.16Å; F53-F59 HydrophobicContact CE2-CD2 3.16Å; F53-F59 AromaticContact CE2-CE2 3.65Å; F53-F59 HydrophobicContact CE2-CE2 3.65Å; F53-F59 AromaticContact CE2-CG 3.82Å; F53-F59 HydrophobicContact CE2-CG 3.82Å; F53-F59 HydrophobicContact CG-CB 4.01Å; F53-F59 HydrophobicContact CG-CD2 4.47Å; F53-F59 AromaticContact CZ-CD2 3.87Å; F53-F59 HydrophobicContact CZ-CD2 3.87Å; F53-F59 HydrophobicContact CZ-CE2 4.34Å; F53-V62 HydrophobicContact CE1-CG2 3.83Å; F53-V62 HydrophobicContact CZ-CG2 4.12Å; F53-M81 HydrophobicContact CD2-CE 4.2Å; F53-M81 HydrophobicContact CE2-CE 3.62Å
54A92.4Very high93.9Very high83 Ų8339 Ų3969%0.68622%0.222SC*.SBendtrans-62.2-32.4-177.800000111.9D58A54-D58 WeakPolarHBondContact CB-OD2 3.46Å
55S93.4Very high93.8Very high32 Ų3237 Ų3722%0.22421%0.213CC..SBendtrans-145.1162.5175.170.20000112.6F53 Q57 D58 F59F53-S55 PolarHBondContact O-N 3.35Å; S55-Q57 PolarHBondContact O-N 2.82Å; S55-Q57 PolarHBondContact OG-N 3.09Å; S55-Q57 PolarHBondContact OG-OE1 3.41Å; S55-D58 PolarHBondContact N-OD2 3.23Å; S55-D58 VanDerWaalsContact N-OD2 3.07Å; S55-D58 WeakPolarHBondContact O-CB 3.5Å; S55-D58 PolarHBondContact O-N 3.06Å; S55-D58 PolarHBondContact OG-N 2.86Å; S55-D58 VanDerWaalsContact OG-N 3.11Å; S55-D58 PolarHBondContact OG-OD2 3.47Å; S55-F59 PolarHBondContact O-N 3.47Å
56P91.3Very high93.7Very high49 Ų4935 Ų3532%0.31820%0.204SC..Hα-helixtrans-60.6-30.7169-23.634.5000113.4D58 F59 G60 D85P56-D58 VanDerWaalsContact C-N 3.34Å; P56-F59 PolarHBondContact O-N 3.16Å; P56-G60 PolarHBondContact O-N 3.36Å; P56-D85 HydrophobicContact CB-CB 3.64Å; P56-D85 HydrophobicContact CG-CB 4.12Å
57Q94.3Very high93.5Very high136 Ų13638.6 Ų38.664%0.63622%0.22SC*.Hα-helixtrans-63.9-42.4176.3-67.974.618.400110.7S55 F59 G60 L61S55-Q57 PolarHBondContact O-N 2.82Å; S55-Q57 PolarHBondContact OG-N 3.09Å; S55-Q57 PolarHBondContact OG-OE1 3.41Å; Q57-F59 VanDerWaalsContact C-N 3.33Å; Q57-F59 PolarHBondContact O-N 3.44Å; Q57-G60 PolarHBondContact O-N 2.88Å; Q57-L61 WeakPolarHBondContact O-CG 3.42Å; Q57-L61 PolarHBondContact O-N 3.17Å
58D94.4Very high93.5Very high42 Ų4243.1 Ų43.123%0.22524%0.238CC..Hα-helixtrans-61.2-42.4176-67.2-42.6000111.8A30 F53 A54 S55 P56 L61 V62A30-D58 HydrophobicContact CB-CB 3.66Å; A30-D58 WeakPolarHBondContact CB-O 3.49Å; F53-D58 HydrophobicContact CB-CB 4.13Å; A54-D58 WeakPolarHBondContact CB-OD2 3.46Å; S55-D58 PolarHBondContact N-OD2 3.23Å; S55-D58 VanDerWaalsContact N-OD2 3.07Å; S55-D58 WeakPolarHBondContact O-CB 3.5Å; S55-D58 PolarHBondContact O-N 3.06Å; S55-D58 PolarHBondContact OG-N 2.86Å; S55-D58 VanDerWaalsContact OG-N 3.11Å; S55-D58 PolarHBondContact OG-OD2 3.47Å; P56-D58 VanDerWaalsContact C-N 3.34Å; D58-L61 WeakPolarHBondContact O-CB 3.5Å; D58-L61 PolarHBondContact O-N 3.04Å; D58-V62 PolarHBondContact O-N 3.09Å
59F94.8Very high93.5Very high7 Ų748 Ų483%0.03126%0.257CS..Hα-helixtrans-68-39.5175.4-171.9-147.1000111.7L48 F53 S55 P56 Q57 L61 V62 L63 F78 M81 L83L48-F59 HydrophobicContact CD1-CE2 4.24Å; F53-F59 HydrophobicContact CB-CB 4.24Å; F53-F59 HydrophobicContact CD2-CB 3.61Å; F53-F59 AromaticContact CD2-CD2 3.54Å; F53-F59 HydrophobicContact CD2-CD2 3.54Å; F53-F59 HydrophobicContact CD2-CE2 4.35Å; F53-F59 AromaticContact CD2-CG 3.67Å; F53-F59 HydrophobicContact CD2-CG 3.67Å; F53-F59 HydrophobicContact CE2-CB 4.19Å; F53-F59 AromaticContact CE2-CD2 3.16Å; F53-F59 HydrophobicContact CE2-CD2 3.16Å; F53-F59 AromaticContact CE2-CE2 3.65Å; F53-F59 HydrophobicContact CE2-CE2 3.65Å; F53-F59 AromaticContact CE2-CG 3.82Å; F53-F59 HydrophobicContact CE2-CG 3.82Å; F53-F59 HydrophobicContact CG-CB 4.01Å; F53-F59 HydrophobicContact CG-CD2 4.47Å; F53-F59 AromaticContact CZ-CD2 3.87Å; F53-F59 HydrophobicContact CZ-CD2 3.87Å; F53-F59 HydrophobicContact CZ-CE2 4.34Å; S55-F59 PolarHBondContact O-N 3.47Å; P56-F59 PolarHBondContact O-N 3.16Å; Q57-F59 VanDerWaalsContact C-N 3.33Å; Q57-F59 PolarHBondContact O-N 3.44Å; F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 PolarHBondContact O-N 3.11Å; F59-V62 HydrophobicContact CD2-CB 4.32Å; F59-V62 WeakPolarHBondContact O-CB 3.39Å; F59-V62 PolarHBondContact O-N 2.94Å; F59-V62 VanDerWaalsContact O-N 3.09Å; F59-L63 HydrophobicContact CD2-CD2 4.43Å; F59-L63 HydrophobicContact CD2-CG 4.37Å; F59-L63 HydrophobicContact CE1-CD1 4.39Å; F59-L63 HydrophobicContact CE2-CD2 3.78Å; F59-L63 HydrophobicContact CE2-CG 4.16Å; F59-L63 HydrophobicContact CZ-CD1 4.38Å; F59-L63 HydrophobicContact CZ-CD2 3.95Å; F59-L63 HydrophobicContact CZ-CG 4.37Å; F59-L63 WeakPolarHBondContact O-CG 3.37Å; F59-L63 PolarHBondContact O-N 2.93Å; F59-F78 HydrophobicContact CE2-CZ 4.46Å; F59-F78 HydrophobicContact CZ-CD2 4.16Å; F59-F78 AromaticContact CZ-CE2 3.94Å; F59-F78 HydrophobicContact CZ-CE2 3.94Å; F59-F78 HydrophobicContact CZ-CZ 4.25Å; F59-M81 HydrophobicContact CD2-CE 4.44Å; F59-M81 HydrophobicContact CE1-CB 4.32Å; F59-M81 HydrophobicContact CE1-CE 4.19Å; F59-M81 HydrophobicContact CE2-CE 3.85Å; F59-M81 HydrophobicContact CZ-CB 4.37Å; F59-M81 HydrophobicContact CZ-CE 3.7Å; F59-L83 HydrophobicContact CD1-CD2 4.42Å; F59-L83 HydrophobicContact CE1-CD2 3.47Å; F59-L83 VanDerWaalsContact CE1-CD2 3.47Å; F59-L83 HydrophobicContact CE1-CG 4.35Å; F59-L83 HydrophobicContact CZ-CD2 4.01Å
60G95.6Very high93.6Very high3 Ų346.2 Ų46.23%0.03125%0.247CC..Hα-helixtrans-55.1-43.3172.800000112.4P56 Q57 V62 L63 Q64P56-G60 PolarHBondContact O-N 3.36Å; Q57-G60 PolarHBondContact O-N 2.88Å; G60-V62 VanDerWaalsContact C-N 3.32Å; G60-V62 PolarHBondContact O-N 3.37Å; G60-L63 PolarHBondContact O-N 3.16Å; G60-Q64 WeakPolarHBondContact O-CG 3.37Å; G60-Q64 PolarHBondContact O-N 3.47Å
61L95.8Very high93.7Very high87 Ų8749.8 Ų49.846%0.45526%0.264SS..Hα-helixtrans-60.6-39.4175.3-70.7172.1000112.5Q57 D58 F59 Q64 T65Q57-L61 WeakPolarHBondContact O-CG 3.42Å; Q57-L61 PolarHBondContact O-N 3.17Å; D58-L61 WeakPolarHBondContact O-CB 3.5Å; D58-L61 PolarHBondContact O-N 3.04Å; F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 PolarHBondContact O-N 3.11Å; L61-Q64 PolarHBondContact O-N 3.41Å; L61-T65 WeakPolarHBondContact O-CB 3.49Å; L61-T65 PolarHBondContact O-N 3.19Å; L61-T65 PolarHBondContact O-OG1 2.86Å
62V96.1Very high94Very high0 Ų051.5 Ų51.50%028%0.278CS..Hα-helixtrans-62.2-46.4174.6173.70000110.4A30 L33 L37 F53 D58 F59 G60 Q64 T65 L66A30-V62 HydrophobicContact CB-CG2 3.93Å; L33-V62 HydrophobicContact CB-CG2 4.47Å; L33-V62 HydrophobicContact CD2-CB 4.5Å; L33-V62 HydrophobicContact CD2-CG1 3.62Å; L33-V62 HydrophobicContact CD2-CG2 4.01Å; L33-V62 HydrophobicContact CG-CG1 4.12Å; L33-V62 HydrophobicContact CG-CG2 4.39Å; L37-V62 HydrophobicContact CD1-CG1 3.84Å; F53-V62 HydrophobicContact CE1-CG2 3.83Å; F53-V62 HydrophobicContact CZ-CG2 4.12Å; D58-V62 PolarHBondContact O-N 3.09Å; F59-V62 HydrophobicContact CD2-CB 4.32Å; F59-V62 WeakPolarHBondContact O-CB 3.39Å; F59-V62 PolarHBondContact O-N 2.94Å; F59-V62 VanDerWaalsContact O-N 3.09Å; G60-V62 VanDerWaalsContact C-N 3.32Å; G60-V62 PolarHBondContact O-N 3.37Å; V62-Q64 VanDerWaalsContact C-N 3.35Å; V62-Q64 PolarHBondContact O-N 2.84Å; V62-T65 WeakPolarHBondContact O-CB 3.23Å; V62-T65 PolarHBondContact O-N 3.04Å; V62-L66 WeakPolarHBondContact O-CG 3.36Å; V62-L66 PolarHBondContact O-N 3.38Å
63L96Very high94.3Very high3 Ų348.1 Ų48.12%0.01626%0.257CS..Hα-helixtrans-66-36.3179.2-58-177.1000112.7F59 G60 L66 K67 F78 L83 C86 E89 L93F59-L63 HydrophobicContact CD2-CD2 4.43Å; F59-L63 HydrophobicContact CD2-CG 4.37Å; F59-L63 HydrophobicContact CE1-CD1 4.39Å; F59-L63 HydrophobicContact CE2-CD2 3.78Å; F59-L63 HydrophobicContact CE2-CG 4.16Å; F59-L63 HydrophobicContact CZ-CD1 4.38Å; F59-L63 HydrophobicContact CZ-CD2 3.95Å; F59-L63 HydrophobicContact CZ-CG 4.37Å; F59-L63 WeakPolarHBondContact O-CG 3.37Å; F59-L63 PolarHBondContact O-N 2.93Å; G60-L63 PolarHBondContact O-N 3.16Å; L63-L66 HydrophobicContact CD2-CD1 4.02Å; L63-L66 WeakPolarHBondContact O-CB 3.13Å; L63-L66 PolarHBondContact O-N 3.24Å; L63-K67 PolarHBondContact O-N 3.07Å; L63-K67 VanDerWaalsContact O-N 3.16Å; L63-F78 HydrophobicContact CD2-CE2 3.51Å; L63-F78 HydrophobicContact CD2-CZ 3.49Å; L63-F78 VanDerWaalsContact CD2-CZ 3.49Å; L63-L83 HydrophobicContact CD1-CD2 4.13Å; L63-C86 HydrophobicContact CD1-CB 3.88Å; L63-E89 HydrophobicContact CB-CB 3.71Å; L63-E89 HydrophobicContact CB-CG 4.03Å; L63-E89 HydrophobicContact CD1-CB 3.6Å; L63-E89 HydrophobicContact CD1-CG 4.37Å; L63-E89 HydrophobicContact CG-CB 4.3Å; L63-L93 HydrophobicContact CD2-CD1 4.19Å
64Q95.4Very high94.6Very high69 Ų6950.8 Ų50.832%0.32227%0.268SS..Hα-helixtrans-65-43.1172.7-71174.310.700111.1G60 L61 V62 L66 K67 E68 E89G60-Q64 WeakPolarHBondContact O-CG 3.37Å; G60-Q64 PolarHBondContact O-N 3.47Å; L61-Q64 PolarHBondContact O-N 3.41Å; V62-Q64 VanDerWaalsContact C-N 3.35Å; V62-Q64 PolarHBondContact O-N 2.84Å; Q64-L66 VanDerWaalsContact C-N 3.33Å; Q64-L66 PolarHBondContact O-N 3.26Å; Q64-K67 WeakPolarHBondContact O-CB 3.3Å; Q64-K67 PolarHBondContact O-N 2.87Å; Q64-K67 VanDerWaalsContact O-N 3.16Å; Q64-E68 WeakPolarHBondContact O-CG 3.37Å; Q64-E68 PolarHBondContact O-N 2.97Å; Q64-E89 HydrophobicContact CG-CG 4.13Å; Q64-E89 PolarHBondContact NE2-OE1 3.09Å
65T95.6Very high94.8Very high12 Ų1251.3 Ų51.37%0.07425%0.253CS..Hα-helixtrans-60.8-42.5175.8-55.30000111.3C34 L37 K38 L61 V62 K67 E68 Y69C34-T65 HydrophobicContact CB-CG2 4.26Å; C34-T65 PolarHBondContact SG-OG1 2.81Å; L37-T65 HydrophobicContact CB-CG2 3.91Å; L37-T65 HydrophobicContact CD1-CG2 4.5Å; K38-T65 HydrophobicContact CG-CG2 3.83Å; L61-T65 WeakPolarHBondContact O-CB 3.49Å; L61-T65 PolarHBondContact O-N 3.19Å; L61-T65 PolarHBondContact O-OG1 2.86Å; V62-T65 WeakPolarHBondContact O-CB 3.23Å; V62-T65 PolarHBondContact O-N 3.04Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 2.98Å; T65-E68 PolarHBondContact O-N 3.11Å; T65-Y69 HydrophobicContact CG2-CD2 3.85Å; T65-Y69 HydrophobicContact CG2-CE2 4.46Å; T65-Y69 PolarHBondContact O-N 3Å
66L94.9Very high95Very high3 Ų349.9 Ų49.92%0.01624%0.243CC..Hα-helixtrans-56.6-44.9175.1-72171.8000112.1L37 L46 V62 L63 Q64 E68 N70 L76 F78L37-L66 HydrophobicContact CD1-CD2 3.54Å; L37-L66 HydrophobicContact CD1-CG 3.78Å; L37-L66 HydrophobicContact CD2-CD2 3.51Å; L37-L66 HydrophobicContact CG-CD2 4.08Å; L46-L66 HydrophobicContact CD2-CD1 3.58Å; L46-L66 HydrophobicContact CD2-CD2 3.37Å; L46-L66 HydrophobicContact CD2-CG 4.12Å; V62-L66 WeakPolarHBondContact O-CG 3.36Å; V62-L66 PolarHBondContact O-N 3.38Å; L63-L66 HydrophobicContact CD2-CD1 4.02Å; L63-L66 WeakPolarHBondContact O-CB 3.13Å; L63-L66 PolarHBondContact O-N 3.24Å; Q64-L66 VanDerWaalsContact C-N 3.33Å; Q64-L66 PolarHBondContact O-N 3.26Å; L66-E68 VanDerWaalsContact C-N 3.32Å; L66-E68 PolarHBondContact O-N 2.91Å; L66-N70 WeakPolarHBondContact CA-OD1 3.23Å; L66-N70 HydrophobicContact CD2-CB 4.5Å; L66-N70 WeakPolarHBondContact CD2-OD1 3.35Å; L66-N70 WeakPolarHBondContact O-CB 3.33Å; L66-N70 PolarHBondContact O-N 2.86Å; L66-N70 VanDerWaalsContact O-N 3.11Å; L66-L76 HydrophobicContact CD1-CD1 4.4Å; L66-F78 HydrophobicContact CD1-CZ 4.34Å
67K93Very high95.2Very high80 Ų8049.3 Ų49.335%0.34824%0.239SC..Hα-helixtrans-62-40.4179.1-176.6-162.5-175.9177.20111.8L63 Q64 T65 L71 F92L63-K67 PolarHBondContact O-N 3.07Å; L63-K67 VanDerWaalsContact O-N 3.16Å; Q64-K67 WeakPolarHBondContact O-CB 3.3Å; Q64-K67 PolarHBondContact O-N 2.87Å; Q64-K67 VanDerWaalsContact O-N 3.16Å; T65-K67 VanDerWaalsContact C-N 3.29Å; T65-K67 PolarHBondContact O-N 2.98Å; K67-L71 WeakPolarHBondContact O-CD2 3.45Å; K67-F92 HydrophobicContact CD-CB 3.79Å; K67-F92 HydrophobicContact CD-CD2 4.28Å; K67-F92 HydrophobicContact CD-CG 4.15Å
68E94.1Very high95.3Very high121 Ų12142.8 Ų42.857%0.56521%0.209SC*.Hα-helixtrans-81.5-40.4-173.3-71.8174.8-175.800113.2Q64 T65 L66Q64-E68 WeakPolarHBondContact O-CG 3.37Å; Q64-E68 PolarHBondContact O-N 2.97Å; T65-E68 PolarHBondContact O-N 3.11Å; L66-E68 VanDerWaalsContact C-N 3.32Å; L66-E68 PolarHBondContact O-N 2.91Å
69Y94.6Very high95.3Very high103 Ų10344 Ų4440%0.40421%0.213SC..Hα-helixtrans-108.3-26.2-168.1-68.9-92000114.1K38 T65 L71K38-Y69 HydrophobicContact CB-CD1 4.07Å; K38-Y69 HydrophobicContact CB-CE1 4.28Å; K38-Y69 HydrophobicContact CB-CG 4.3Å; K38-Y69 HydrophobicContact CD-CE1 4.46Å; K38-Y69 HydrophobicContact CD-CE2 4.27Å; K38-Y69 HydrophobicContact CG-CD1 3.85Å; K38-Y69 HydrophobicContact CG-CD2 3.76Å; K38-Y69 HydrophobicContact CG-CE1 3.86Å; K38-Y69 HydrophobicContact CG-CE2 3.78Å; K38-Y69 HydrophobicContact CG-CG 3.8Å; T65-Y69 HydrophobicContact CG2-CD2 3.85Å; T65-Y69 HydrophobicContact CG2-CE2 4.46Å; T65-Y69 PolarHBondContact O-N 3Å; Y69-L71 PolarHBondContact O-N 2.77Å
70N95.1Very high95.1Very high1 Ų147.3 Ų47.31%0.00523%0.231CC..  trans-103.957.9-174.1-52.4109.8000111.3L37 S40 L66 A72 L73L37-N70 PolarHBondContact O-ND2 3.03Å; S40-N70 PolarHBondContact O-ND2 2.92Å; L66-N70 WeakPolarHBondContact CA-OD1 3.23Å; L66-N70 HydrophobicContact CD2-CB 4.5Å; L66-N70 WeakPolarHBondContact CD2-OD1 3.35Å; L66-N70 WeakPolarHBondContact O-CB 3.33Å; L66-N70 PolarHBondContact O-N 2.86Å; L66-N70 VanDerWaalsContact O-N 3.11Å; N70-A72 PolarHBondContact O-N 3.21Å; N70-L73 HydrophobicContact CB-CB 4.34Å; N70-L73 WeakPolarHBondContact O-CB 3.37Å; N70-L73 PolarHBondContact O-N 3.3Å; N70-L73 VanDerWaalsContact O-N 3.09Å
71L92Very high94.9Very high107 Ų10747.3 Ų47.356%0.5623%0.231SC*.THydrogen-bonded Turntrans-66.1-21.4-177.6-56.5-178.9000112.9K67 Y69 L73 T98K67-L71 WeakPolarHBondContact O-CD2 3.45Å; Y69-L71 PolarHBondContact O-N 2.77Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 3.12Å; L71-T98 WeakPolarHBondContact O-CB 3.45Å; L71-T98 WeakPolarHBondContact O-CG2 3.43Å; L71-T98 PolarHBondContact O-OG1 3.17Å
72A94.4Very high94.8Very high41 Ų4146.3 Ų46.334%0.33923%0.226SC..THydrogen-bonded Turntrans-79.8-2.5175.500000114.1L43 N70 K74L43-A72 CarbonylContact O-C 3.59Å; L43-A72 VanDerWaalsContact O-C 3.23Å; N70-A72 PolarHBondContact O-N 3.21Å; A72-K74 PolarHBondContact O-N 2.61Å
73L96.3Very high94.7Very high3 Ų346.3 Ų46.32%0.01623%0.226CC..  trans-65.8118.4-172.6-166.372.4000111L43 L46 N70 L71 L76 T98 L99L43-L73 HydrophobicContact CD2-CD1 4.14Å; L43-L73 HydrophobicContact CG-CD1 4.07Å; L43-L73 VanDerWaalsContact O-CA 3.23Å; L43-L73 WeakPolarHBondContact O-CA 3.46Å; L43-L73 PolarHBondContact O-N 2.88Å; L43-L73 VanDerWaalsContact O-N 3.12Å; L46-L73 HydrophobicContact CB-CD1 4.05Å; N70-L73 HydrophobicContact CB-CB 4.34Å; N70-L73 WeakPolarHBondContact O-CB 3.37Å; N70-L73 PolarHBondContact O-N 3.3Å; N70-L73 VanDerWaalsContact O-N 3.09Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 3.12Å; L73-L76 HydrophobicContact CD2-CB 4.44Å; L73-L76 HydrophobicContact CD2-CD1 4.3Å; L73-T98 CarbonylContact O-C 3.54Å; L73-T98 PolarHBondContact O-OG1 2.99Å; L73-L99 HydrophobicContact CB-CD2 4.28Å; L73-L99 HydrophobicContact CD2-CD2 3.92Å; L73-L99 HydrophobicContact CG-CD2 3.83Å; L73-L99 WeakPolarHBondContact O-CA 3.43Å; L73-L99 WeakPolarHBondContact O-CD2 3.47Å; L73-L99 PolarHBondContact O-N 2.97Å
74K96.8Very high94.6Very high84 Ų8446.3 Ų46.337%0.36523%0.226SC..  trans-99.9-33.3178.7-67.7173-171.7160.40111.8Q44 A72 Q100 E101Q44-K74 PolarHBondContact O-N 2.74Å; A72-K74 PolarHBondContact O-N 2.61Å; K74-Q100 HydrophobicContact CB-CG 4.47Å; K74-Q100 PolarHBondContact O-N 3.06Å; K74-E101 PolarHBondContact O-N 3.12Å
75R96.4Very high94.5Very high94 Ų9446 Ų4636%0.35523%0.226SC..EExtended strand (participates in β ladder)trans-135.3133-175.3-59.4-152.7-82.3-145.4-3.4112.8Q44 Q45 L46 E101Q44-R75 PolarHBondContact O-N 2.98Å; Q45-R75 WeakPolarHBondContact CA-O 3.18Å; Q45-R75 HydrophobicContact CG-CB 4.33Å; Q45-R75 VanDerWaalsContact OE1-CZ 3.29Å; L46-R75 PolarHBondContact N-O 3.29Å; R75-E101 VanDerWaalsContact CA-O 3.31Å; R75-E101 WeakPolarHBondContact CA-O 3.29Å; R75-E101 HydrophobicContact CB-CB 4.46Å; R75-E101 WeakPolarHBondContact CD-OE2 3.42Å; R75-E101 HydrophobicContact CG-CB 3.85Å; R75-E101 HydrophobicContact CG-CG 4.28Å; R75-E101 IonicContact CZ-OE1 2.87Å; R75-E101 IonicContact NE-OE2 2.58Å; R75-E101 IonicContact NH1-OE1 3.79Å; R75-E101 PolarHBondContact NH1-OE1 3.24Å; R75-E101 IonicContact NH1-OE2 2.78Å; R75-E101 PolarHBondContact NH1-OE2 2.83Å
76L97.4Very high94.5Very high3 Ų345.4 Ų45.42%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-129.6127.7-179.1-176.662.9000109.9L46 L66 L73 F78 L93 L99 E101 I102 T103 F104L46-L76 HydrophobicContact CB-CD1 3.9Å; L46-L76 HydrophobicContact CD2-CD1 3.81Å; L46-L76 HydrophobicContact CG-CD1 3.99Å; L46-L76 CarbonylContact O-C 3.51Å; L46-L76 WeakPolarHBondContact O-CA 3.41Å; L66-L76 HydrophobicContact CD1-CD1 4.4Å; L73-L76 HydrophobicContact CD2-CB 4.44Å; L73-L76 HydrophobicContact CD2-CD1 4.3Å; L76-F78 HydrophobicContact CD1-CD1 4.32Å; L76-F78 HydrophobicContact CD1-CE1 3.5Å; L76-F78 VanDerWaalsContact CD1-CE1 3.5Å; L76-F78 HydrophobicContact CD1-CE2 4.42Å; L76-F78 HydrophobicContact CD1-CZ 3.57Å; L76-F78 HydrophobicContact CD2-CE2 4.09Å; L76-F78 HydrophobicContact CD2-CZ 3.95Å; L76-F78 HydrophobicContact CG-CE1 4.13Å; L76-F78 HydrophobicContact CG-CE2 4.35Å; L76-F78 HydrophobicContact CG-CZ 3.97Å; L76-L93 HydrophobicContact CD2-CD1 3.69Å; L76-L93 HydrophobicContact CD2-CD2 4.1Å; L76-L93 HydrophobicContact CD2-CG 4.38Å; L76-L99 HydrophobicContact CB-CD2 4.07Å; L76-E101 PolarHBondContact N-O 3.3Å; L76-I102 HydrophobicContact CB-CG1 4.47Å; L76-I102 CarbonylContact O-C 3.56Å; L76-I102 WeakPolarHBondContact O-CA 3.45Å; L76-T103 PolarHBondContact O-N 3.44Å; L76-F104 HydrophobicContact CD2-CE1 4.07Å; L76-F104 HydrophobicContact CD2-CZ 4.28Å; L76-F104 HydrophobicContact CG-CE1 4.34Å
77S96.6Very high94.4Very high36 Ų3645.5 Ų45.525%0.25222%0.223SC..EExtended strand (participates in β ladder)trans-131.1121.9179.8-178.80000110.8L46 S47 L48 T103L46-S77 PolarHBondContact O-N 3.15Å; S47-S77 CarbonylContact C-O 3.55Å; S47-S77 VanDerWaalsContact CA-O 3.23Å; S47-S77 WeakPolarHBondContact CA-O 3.22Å; L48-S77 PolarHBondContact N-O 3.4Å; S77-T103 CarbonylContact C-O 3.18Å; S77-T103 VanDerWaalsContact CA-O 3.31Å; S77-T103 WeakPolarHBondContact CA-O 3.14Å
78F96.1Very high94.5Very high0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-118.3132.7169.1-61.1-27000109.8L46 L48 F59 L63 L66 L76 M81 L83 T103 F104 S105 C107L46-F78 HydrophobicContact CD2-CE1 4.5Å; L48-F78 HydrophobicContact CB-CD1 3.78Å; L48-F78 HydrophobicContact CB-CE1 4.1Å; L48-F78 HydrophobicContact CD1-CD1 4.12Å; L48-F78 HydrophobicContact CD1-CE1 3.64Å; L48-F78 HydrophobicContact CD1-CZ 4.39Å; L48-F78 HydrophobicContact CG-CD1 4.04Å; L48-F78 HydrophobicContact CG-CE1 3.82Å; L48-F78 CarbonylContact O-C 3.57Å; L48-F78 VanDerWaalsContact O-CA 3.3Å; L48-F78 WeakPolarHBondContact O-CA 3.32Å; F59-F78 HydrophobicContact CE2-CZ 4.46Å; F59-F78 HydrophobicContact CZ-CD2 4.16Å; F59-F78 AromaticContact CZ-CE2 3.94Å; F59-F78 HydrophobicContact CZ-CE2 3.94Å; F59-F78 HydrophobicContact CZ-CZ 4.25Å; L63-F78 HydrophobicContact CD2-CE2 3.51Å; L63-F78 HydrophobicContact CD2-CZ 3.49Å; L63-F78 VanDerWaalsContact CD2-CZ 3.49Å; L66-F78 HydrophobicContact CD1-CZ 4.34Å; L76-F78 HydrophobicContact CD1-CD1 4.32Å; L76-F78 HydrophobicContact CD1-CE1 3.5Å; L76-F78 VanDerWaalsContact CD1-CE1 3.5Å; L76-F78 HydrophobicContact CD1-CE2 4.42Å; L76-F78 HydrophobicContact CD1-CZ 3.57Å; L76-F78 HydrophobicContact CD2-CE2 4.09Å; L76-F78 HydrophobicContact CD2-CZ 3.95Å; L76-F78 HydrophobicContact CG-CE1 4.13Å; L76-F78 HydrophobicContact CG-CE2 4.35Å; L76-F78 HydrophobicContact CG-CZ 3.97Å; F78-M81 HydrophobicContact CB-CB 4.12Å; F78-M81 HydrophobicContact CB-CG 3.68Å; F78-M81 HydrophobicContact CG-CG 4.18Å; F78-L83 HydrophobicContact CD2-CD1 4.24Å; F78-L83 HydrophobicContact CD2-CD2 4.19Å; F78-L83 HydrophobicContact CE2-CD2 4.41Å; F78-T103 PolarHBondContact N-O 3.44Å; F78-F104 HydrophobicContact CB-CD1 3.86Å; F78-F104 HydrophobicContact CB-CE1 4.4Å; F78-F104 AromaticContact CD2-CD1 3.6Å; F78-F104 HydrophobicContact CD2-CD1 3.6Å; F78-F104 AromaticContact CD2-CE1 3.33Å; F78-F104 HydrophobicContact CD2-CE1 3.33Å; F78-F104 HydrophobicContact CD2-CZ 4.31Å; F78-F104 HydrophobicContact CE2-CD1 4.48Å; F78-F104 AromaticContact CE2-CE1 3.78Å; F78-F104 HydrophobicContact CE2-CE1 3.78Å; F78-F104 HydrophobicContact CE2-CZ 4.47Å; F78-F104 HydrophobicContact CG-CD1 4.02Å; F78-F104 HydrophobicContact CG-CE1 4.05Å; F78-F104 CarbonylContact O-C 3.57Å; F78-F104 WeakPolarHBondContact O-CA 3.2Å; F78-S105 PolarHBondContact O-N 3.09Å; F78-C107 PolarHBondContact O-SG 3.23Å
79H93.8Very high94.6Very high66 Ų6640.5 Ų40.531%0.30621%0.208SC..EExtended strand (participates in β ladder)trans-125.6130.5174.2-172.585.4000109.6L48 D49 S50 M81 S105 F106L48-H79 PolarHBondContact O-N 3.38Å; D49-H79 HydrophobicContact CB-CB 4.16Å; D49-H79 IonicContact OD1-CD2 3.27Å; D49-H79 PolarHBondContact OD1-CD2 2.73Å; D49-H79 VanDerWaalsContact OD1-CD2 3.27Å; D49-H79 IonicContact OD1-CG 3.87Å; D49-H79 IonicContact OD2-CD2 3.99Å; S50-H79 PolarHBondContact N-O 3.45Å; H79-M81 PolarHBondContact O-N 3.46Å; H79-S105 WeakPolarHBondContact CA-O 3.44Å; H79-S105 WeakPolarHBondContact ND1-CB 3.2Å; H79-F106 AromaticContact CE1-CD2 3.68Å
80D91.2Very high94.6Very high78 Ų7835.6 Ų35.642%0.41719%0.189SC..SBendtrans51.539.1179.3-159.625.8000113.8S105D80-S105 PolarHBondContact N-O 3.39Å
81M92.3Very high94.6Very high3 Ų336.2 Ų36.22%0.01519%0.192CC..  trans-101.7141.6177.4-60.5-61.8-65.800110.6L48 A51 F53 F59 F78 H79 L83 C107L48-M81 HydrophobicContact CB-CE 4.33Å; L48-M81 HydrophobicContact CB-SD 4.18Å; L48-M81 HydrophobicContact CD1-CE 4.34Å; A51-M81 HydrophobicContact CB-CE 3.74Å; A51-M81 HydrophobicContact CB-SD 3.66Å; A51-M81 PolarHBondContact N-SD 3.16Å; A51-M81 WeakPolarHBondContact O-CE 3.45Å; F53-M81 HydrophobicContact CD2-CE 4.2Å; F53-M81 HydrophobicContact CE2-CE 3.62Å; F59-M81 HydrophobicContact CD2-CE 4.44Å; F59-M81 HydrophobicContact CE1-CB 4.32Å; F59-M81 HydrophobicContact CE1-CE 4.19Å; F59-M81 HydrophobicContact CE2-CE 3.85Å; F59-M81 HydrophobicContact CZ-CB 4.37Å; F59-M81 HydrophobicContact CZ-CE 3.7Å; F78-M81 HydrophobicContact CB-CB 4.12Å; F78-M81 HydrophobicContact CB-CG 3.68Å; F78-M81 HydrophobicContact CG-CG 4.18Å; H79-M81 PolarHBondContact O-N 3.46Å; M81-L83 PolarHBondContact O-N 3.03Å; M81-L83 VanDerWaalsContact O-N 3.17Å; M81-C107 CarbonylContact O-C 3.44Å; M81-C107 VanDerWaalsContact O-C 3.26Å; M81-C107 WeakPolarHBondContact O-CA 3.35Å; M81-C107 VanDerWaalsContact O-CB 3.26Å; M81-C107 WeakPolarHBondContact O-CB 3.45Å; M81-C107 VanDerWaalsContact O-O 3.06Å
82N92.5Very high94.6Very high66 Ų6634.4 Ų34.435%0.35318%0.18SC..  trans-81.499.1176.8-176.918.8000112.3A84N82-A84 WeakPolarHBondContact OD1-CB 3.42Å; N82-A84 PolarHBondContact OD1-N 3.25Å
83L95Very high94.6Very high0 Ų032.6 Ų32.60%017%0.165CC..  trans-95.80.1174.8-67.2173.3000114.1F59 L63 F78 M81 D85 C86 V90 F104 C107 L109F59-L83 HydrophobicContact CD1-CD2 4.42Å; F59-L83 HydrophobicContact CE1-CD2 3.47Å; F59-L83 VanDerWaalsContact CE1-CD2 3.47Å; F59-L83 HydrophobicContact CE1-CG 4.35Å; F59-L83 HydrophobicContact CZ-CD2 4.01Å; L63-L83 HydrophobicContact CD1-CD2 4.13Å; F78-L83 HydrophobicContact CD2-CD1 4.24Å; F78-L83 HydrophobicContact CD2-CD2 4.19Å; F78-L83 HydrophobicContact CE2-CD2 4.41Å; M81-L83 PolarHBondContact O-N 3.03Å; M81-L83 VanDerWaalsContact O-N 3.17Å; L83-D85 PolarHBondContact O-N 3.44Å; L83-D85 VanDerWaalsContact O-N 3.12Å; L83-C86 HydrophobicContact CD2-CB 4.32Å; L83-C86 PolarHBondContact O-N 3.27Å; L83-V90 HydrophobicContact CB-CG2 4.44Å; L83-V90 HydrophobicContact CD1-CG2 4.11Å; L83-V90 HydrophobicContact CD2-CG2 3.87Å; L83-V90 HydrophobicContact CG-CG2 4.39Å; L83-F104 HydrophobicContact CD1-CB 4.02Å; L83-F104 HydrophobicContact CD1-CD1 3.94Å; L83-F104 HydrophobicContact CD1-CD2 3.82Å; L83-F104 HydrophobicContact CD1-CE1 4.32Å; L83-F104 HydrophobicContact CD1-CE2 4.21Å; L83-F104 HydrophobicContact CD1-CG 3.66Å; L83-F104 HydrophobicContact CD1-CZ 4.44Å; L83-C107 HydrophobicContact CB-CB 4.28Å; L83-C107 WeakPolarHBondContact CB-O 3.35Å; L83-C107 HydrophobicContact CD1-CB 3.55Å; L83-C107 HydrophobicContact CG-CB 3.91Å; L83-C107 PolarHBondContact N-O 3.14Å; L83-L109 HydrophobicContact CB-CD1 3.86Å; L83-L109 HydrophobicContact CD1-CD1 4.29Å
84A93.5Very high94.4Very high2 Ų232.5 Ų32.52%0.01716%0.164CC..THydrogen-bonded Turntrans-60.6-27.8-17500000113.1N82 R108 E111 K112N82-A84 WeakPolarHBondContact OD1-CB 3.42Å; N82-A84 PolarHBondContact OD1-N 3.25Å; A84-R108 HydrophobicContact CB-CB 4.35Å; A84-R108 WeakPolarHBondContact CB-O 3.4Å; A84-E111 HydrophobicContact CB-CB 4.38Å; A84-K112 HydrophobicContact CB-CD 4.01Å; A84-K112 HydrophobicContact CB-CG 4.15Å
85D93Very high94.1Very high62 Ų6233.7 Ų33.733%0.33217%0.171SC..THydrogen-bonded Turntrans-102.3-1.1179.6-69.9-63.3000113.7P56 L83 K112P56-D85 HydrophobicContact CB-CB 3.64Å; P56-D85 HydrophobicContact CG-CB 4.12Å; L83-D85 PolarHBondContact O-N 3.44Å; L83-D85 VanDerWaalsContact O-N 3.12Å; D85-K112 WeakPolarHBondContact OD1-CD 3.38Å; D85-K112 IonicContact OD1-NZ 2.61Å; D85-K112 PolarHBondContact OD1-NZ 2.82Å; D85-K112 IonicContact OD2-NZ 2.74Å; D85-K112 PolarHBondContact OD2-NZ 3.36Å
86C94.9Very high93.7Very high1 Ų130.2 Ų30.21%0.00716%0.16CC..  trans-116.329.9-176.2-56.40000112.1L63 L83 S88 E89 V90L63-C86 HydrophobicContact CD1-CB 3.88Å; L83-C86 HydrophobicContact CD2-CB 4.32Å; L83-C86 PolarHBondContact O-N 3.27Å; C86-S88 VanDerWaalsContact C-N 3.34Å; C86-S88 PolarHBondContact O-N 3.04Å; C86-E89 VanDerWaalsContact CA-OE2 3.29Å; C86-E89 WeakPolarHBondContact CA-OE2 3.42Å; C86-E89 HydrophobicContact CB-CB 4.5Å; C86-E89 PolarHBondContact O-N 3.18Å; C86-V90 WeakPolarHBondContact O-CG2 3.43Å; C86-V90 PolarHBondContact O-N 3.04Å
87Q94.4Very high93.2Very high5 Ų534.9 Ų34.92%0.02318%0.184CC..Hα-helixtrans-62.5-39.6-175.5-75.1178.7-28.300112.5E89 V90 L91 L109 K112 F117Q87-E89 VanDerWaalsContact C-N 3.32Å; Q87-E89 PolarHBondContact O-N 3.47Å; Q87-V90 PolarHBondContact O-N 3.21Å; Q87-L91 WeakPolarHBondContact O-CG 3.49Å; Q87-L91 PolarHBondContact O-N 3.48Å; Q87-L109 PolarHBondContact NE2-O 2.89Å; Q87-K112 PolarHBondContact NE2-O 3.17Å; Q87-F117 HydrophobicContact CB-CD2 3.64Å; Q87-F117 HydrophobicContact CB-CE2 3.77Å; Q87-F117 HydrophobicContact CB-CG 4.25Å; Q87-F117 HydrophobicContact CG-CD1 4.37Å; Q87-F117 HydrophobicContact CG-CD2 3.93Å; Q87-F117 HydrophobicContact CG-CE2 4.08Å; Q87-F117 HydrophobicContact CG-CG 4.07Å; Q87-F117 HydrophobicContact CG-CZ 4.4Å; Q87-F117 WeakPolarHBondContact O-CE2 3.37Å
88S94.3Very high93Very high66 Ų6635.7 Ų35.746%0.46219%0.188SC..Hα-helixtrans-61.3-42.9177.2-56.10000111.4C86 L91 F92C86-S88 VanDerWaalsContact C-N 3.34Å; C86-S88 PolarHBondContact O-N 3.04Å; S88-L91 WeakPolarHBondContact O-CB 3.45Å; S88-L91 PolarHBondContact O-N 3.19Å; S88-F92 WeakPolarHBondContact O-CD2 3.46Å; S88-F92 WeakPolarHBondContact O-CG 3.31Å; S88-F92 PolarHBondContact O-N 2.82Å; S88-F92 VanDerWaalsContact O-N 3.16Å
89E95.4Very high93Very high29 Ų2935.8 Ų35.814%0.13619%0.188CC..Hα-helixtrans-66.6-38.4176.3-67.872.7-160.500111.9L63 Q64 C86 Q87 L91 F92 L93L63-E89 HydrophobicContact CB-CB 3.71Å; L63-E89 HydrophobicContact CB-CG 4.03Å; L63-E89 HydrophobicContact CD1-CB 3.6Å; L63-E89 HydrophobicContact CD1-CG 4.37Å; L63-E89 HydrophobicContact CG-CB 4.3Å; Q64-E89 HydrophobicContact CG-CG 4.13Å; Q64-E89 PolarHBondContact NE2-OE1 3.09Å; C86-E89 VanDerWaalsContact CA-OE2 3.29Å; C86-E89 WeakPolarHBondContact CA-OE2 3.42Å; C86-E89 HydrophobicContact CB-CB 4.5Å; C86-E89 PolarHBondContact O-N 3.18Å; Q87-E89 VanDerWaalsContact C-N 3.32Å; Q87-E89 PolarHBondContact O-N 3.47Å; E89-L91 VanDerWaalsContact C-N 3.31Å; E89-L91 PolarHBondContact O-N 2.76Å; E89-F92 WeakPolarHBondContact O-CB 2.97Å; E89-F92 PolarHBondContact O-N 2.85Å; E89-F92 VanDerWaalsContact O-N 3.14Å; E89-L93 WeakPolarHBondContact O-CG 3.32Å; E89-L93 PolarHBondContact O-N 2.65Å
90V95Very high93Very high0 Ų035.3 Ų35.30%019%0.186CC..Hα-helixtrans-60.9-40173169.80000111.4L83 C86 Q87 F92 L93 L94 F104 L109 F117L83-V90 HydrophobicContact CB-CG2 4.44Å; L83-V90 HydrophobicContact CD1-CG2 4.11Å; L83-V90 HydrophobicContact CD2-CG2 3.87Å; L83-V90 HydrophobicContact CG-CG2 4.39Å; C86-V90 WeakPolarHBondContact O-CG2 3.43Å; C86-V90 PolarHBondContact O-N 3.04Å; Q87-V90 PolarHBondContact O-N 3.21Å; V90-F92 VanDerWaalsContact C-N 3.3Å; V90-F92 PolarHBondContact O-N 2.83Å; V90-L93 PolarHBondContact O-N 2.98Å; V90-L94 HydrophobicContact CG1-CD1 3.92Å; V90-L94 HydrophobicContact CG1-CG 4.44Å; V90-L94 WeakPolarHBondContact O-CG 3.36Å; V90-L94 PolarHBondContact O-N 2.76Å; V90-F104 HydrophobicContact CG1-CE2 3.81Å; V90-F104 HydrophobicContact CG2-CE2 4.24Å; V90-L109 HydrophobicContact CB-CD1 4.26Å; V90-L109 HydrophobicContact CG1-CD1 4.03Å; V90-L109 HydrophobicContact CG1-CD2 4.48Å; V90-L109 HydrophobicContact CG2-CD1 3.9Å; V90-F117 HydrophobicContact CB-CZ 4.44Å; V90-F117 HydrophobicContact CG1-CE2 4.5Å; V90-F117 HydrophobicContact CG1-CZ 3.96Å
91L95.4Very high93.1Very high14 Ų1433.3 Ų33.37%0.07317%0.174CC..Hα-helixtrans-61.4-40.5174.1-65.2173.9000111.5Q87 S88 E89 L93 L94 Q95 F117 E120 M121Q87-L91 WeakPolarHBondContact O-CG 3.49Å; Q87-L91 PolarHBondContact O-N 3.48Å; S88-L91 WeakPolarHBondContact O-CB 3.45Å; S88-L91 PolarHBondContact O-N 3.19Å; E89-L91 VanDerWaalsContact C-N 3.31Å; E89-L91 PolarHBondContact O-N 2.76Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.96Å; L91-L94 PolarHBondContact O-N 3.07Å; L91-Q95 WeakPolarHBondContact O-CG 3.43Å; L91-Q95 PolarHBondContact O-N 3Å; L91-F117 HydrophobicContact CD1-CD2 4.43Å; L91-F117 HydrophobicContact CD1-CE2 4.45Å; L91-F117 HydrophobicContact CD2-CD2 4.16Å; L91-F117 HydrophobicContact CD2-CE2 3.68Å; L91-F117 HydrophobicContact CG-CD2 4.26Å; L91-F117 HydrophobicContact CG-CE2 3.81Å; L91-E120 HydrophobicContact CD1-CB 3.81Å; L91-E120 WeakPolarHBondContact CD1-OE2 3.44Å; L91-E120 HydrophobicContact CD2-CB 4Å; L91-M121 HydrophobicContact CD2-CB 4.05Å
92F92.8Very high93.2Very high70 Ų7033.2 Ų33.231%0.30717%0.174SC..Hα-helixtrans-62.7-39.3176.2-59-33.3000112.7K67 S88 E89 V90 L94 Q95 N96K67-F92 HydrophobicContact CD-CB 3.79Å; K67-F92 HydrophobicContact CD-CD2 4.28Å; K67-F92 HydrophobicContact CD-CG 4.15Å; S88-F92 WeakPolarHBondContact O-CD2 3.46Å; S88-F92 WeakPolarHBondContact O-CG 3.31Å; S88-F92 PolarHBondContact O-N 2.82Å; S88-F92 VanDerWaalsContact O-N 3.16Å; E89-F92 WeakPolarHBondContact O-CB 2.97Å; E89-F92 PolarHBondContact O-N 2.85Å; E89-F92 VanDerWaalsContact O-N 3.14Å; V90-F92 VanDerWaalsContact C-N 3.3Å; V90-F92 PolarHBondContact O-N 2.83Å; F92-L94 VanDerWaalsContact C-N 3.33Å; F92-Q95 PolarHBondContact O-N 2.83Å; F92-N96 PolarHBondContact O-N 2.95Å
93L93.3Very high93.3Very high3 Ų330.8 Ų30.82%0.01616%0.161CC..Hα-helixtrans-66.2-36.7174.7-66.2168.7000111.7L63 L76 E89 V90 L91 Q95 N96 L99 F104L63-L93 HydrophobicContact CD2-CD1 4.19Å; L76-L93 HydrophobicContact CD2-CD1 3.69Å; L76-L93 HydrophobicContact CD2-CD2 4.1Å; L76-L93 HydrophobicContact CD2-CG 4.38Å; E89-L93 WeakPolarHBondContact O-CG 3.32Å; E89-L93 PolarHBondContact O-N 2.65Å; V90-L93 PolarHBondContact O-N 2.98Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.96Å; L93-Q95 VanDerWaalsContact C-N 3.3Å; L93-Q95 PolarHBondContact O-N 3.21Å; L93-N96 VanDerWaalsContact O-CB 3.26Å; L93-N96 WeakPolarHBondContact O-CB 3.26Å; L93-N96 PolarHBondContact O-N 2.72Å; L93-L99 HydrophobicContact CB-CD1 4.35Å; L93-L99 HydrophobicContact CD2-CD1 4.34Å; L93-L99 WeakPolarHBondContact O-CD1 3.47Å; L93-F104 HydrophobicContact CD1-CZ 4.4Å
94L92.5Very high93.4Very high0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-73.1-22.1176.1-69.3165.1000113.3V90 L91 F92 I102 M121 A124 M125 N128 L131 L134V90-L94 HydrophobicContact CG1-CD1 3.92Å; V90-L94 HydrophobicContact CG1-CG 4.44Å; V90-L94 WeakPolarHBondContact O-CG 3.36Å; V90-L94 PolarHBondContact O-N 2.76Å; L91-L94 PolarHBondContact O-N 3.07Å; F92-L94 VanDerWaalsContact C-N 3.33Å; L94-I102 HydrophobicContact CD2-CD1 3.91Å; L94-M121 HydrophobicContact CD1-CE 3.86Å; L94-M121 HydrophobicContact CD1-CG 3.45Å; L94-M121 VanDerWaalsContact CD1-CG 3.45Å; L94-M121 HydrophobicContact CD1-SD 4.35Å; L94-A124 HydrophobicContact CB-CB 4.12Å; L94-M125 HydrophobicContact CD2-CG 4.24Å; L94-N128 PolarHBondContact O-ND2 2.88Å; L94-L131 HydrophobicContact CD2-CD2 3.91Å; L94-L134 HydrophobicContact CD2-CD1 4.2Å; L94-L134 HydrophobicContact CD2-CD2 4.3Å
95Q91.4Very high93.3Very high109 Ų10931.5 Ų31.551%0.50917%0.166SC..Hα-helixtrans-86-10173.1-70.8172.6-17.500112.7L91 F92 L93 L97 A124L91-Q95 WeakPolarHBondContact O-CG 3.43Å; L91-Q95 PolarHBondContact O-N 3Å; F92-Q95 PolarHBondContact O-N 2.83Å; L93-Q95 VanDerWaalsContact C-N 3.3Å; L93-Q95 PolarHBondContact O-N 3.21Å; Q95-L97 PolarHBondContact O-N 3.43Å; Q95-A124 HydrophobicContact CG-CB 3.87Å
96N86.3Confident93.1Very high22 Ų2232.9 Ų32.912%0.11817%0.169CC..  trans-65.5127.9178.4175.8-68.4000110.5F92 L93 T98 L99 N128F92-N96 PolarHBondContact O-N 2.95Å; L93-N96 VanDerWaalsContact O-CB 3.26Å; L93-N96 WeakPolarHBondContact O-CB 3.26Å; L93-N96 PolarHBondContact O-N 2.72Å; N96-T98 VanDerWaalsContact C-N 3.34Å; N96-T98 PolarHBondContact O-N 3.29Å; N96-T98 WeakPolarHBondContact OD1-CA 3.31Å; N96-T98 PolarHBondContact OD1-N 2.86Å; N96-T98 PolarHBondContact OD1-OG1 3.18Å; N96-L99 HydrophobicContact CB-CD1 4.11Å; N96-L99 HydrophobicContact CB-CG 4.45Å; N96-L99 PolarHBondContact OD1-N 3.44Å; N96-N128 PolarHBondContact O-ND2 2.87Å
97L87Confident93.1Very high101 Ų10132.9 Ų32.953%0.52917%0.169SC..SBendtrans-94.420.7-174.9-59.2179.1000113.5Q95 T130Q95-L97 PolarHBondContact O-N 3.43Å; L97-T130 WeakPolarHBondContact CA-OG1 3.39Å; L97-T130 HydrophobicContact CB-CG2 4.41Å; L97-T130 WeakPolarHBondContact O-CG2 3.37Å; L97-T130 PolarHBondContact O-OG1 3.35Å
98T93.1Very high93Very high53 Ų5338 Ų3833%0.32519%0.188SC..SBendtrans-122.3-28.8174.262.80000112.2L71 L73 N96 Q100L71-T98 WeakPolarHBondContact O-CB 3.45Å; L71-T98 WeakPolarHBondContact O-CG2 3.43Å; L71-T98 PolarHBondContact O-OG1 3.17Å; L73-T98 CarbonylContact O-C 3.54Å; L73-T98 PolarHBondContact O-OG1 2.99Å; N96-T98 VanDerWaalsContact C-N 3.34Å; N96-T98 PolarHBondContact O-N 3.29Å; N96-T98 WeakPolarHBondContact OD1-CA 3.31Å; N96-T98 PolarHBondContact OD1-N 2.86Å; N96-T98 PolarHBondContact OD1-OG1 3.18Å; T98-Q100 PolarHBondContact O-N 3.42Å
99L95Very high92.9Very high1 Ų134.9 Ų34.91%0.00517%0.166CC..  trans-59.8130.9171.8-77.9173.1000111L73 L76 L93 N96 I102 T130 L131L73-L99 HydrophobicContact CB-CD2 4.28Å; L73-L99 HydrophobicContact CD2-CD2 3.92Å; L73-L99 HydrophobicContact CG-CD2 3.83Å; L73-L99 WeakPolarHBondContact O-CA 3.43Å; L73-L99 WeakPolarHBondContact O-CD2 3.47Å; L73-L99 PolarHBondContact O-N 2.97Å; L76-L99 HydrophobicContact CB-CD2 4.07Å; L93-L99 HydrophobicContact CB-CD1 4.35Å; L93-L99 HydrophobicContact CD2-CD1 4.34Å; L93-L99 WeakPolarHBondContact O-CD1 3.47Å; N96-L99 HydrophobicContact CB-CD1 4.11Å; N96-L99 HydrophobicContact CB-CG 4.45Å; N96-L99 PolarHBondContact OD1-N 3.44Å; L99-I102 HydrophobicContact CD1-CD1 3.96Å; L99-I102 HydrophobicContact CD1-CG1 4.19Å; L99-T130 CarbonylContact O-C 3.57Å; L99-T130 VanDerWaalsContact O-C 3.32Å; L99-T130 PolarHBondContact O-OG1 3.25Å; L99-L131 WeakPolarHBondContact O-CA 3.37Å; L99-L131 PolarHBondContact O-N 3.13Å
100Q94.1Very high92.7Very high57 Ų5733.7 Ų33.727%0.26616%0.161SC..  trans-112.1-33178.8-58.5-174.122.500111.5K74 T98 K132 G133K74-Q100 HydrophobicContact CB-CG 4.47Å; K74-Q100 PolarHBondContact O-N 3.06Å; T98-Q100 PolarHBondContact O-N 3.42Å; Q100-K132 WeakPolarHBondContact O-CA 3.45Å; Q100-K132 PolarHBondContact O-N 3.44Å; Q100-G133 PolarHBondContact O-N 2.94Å
101E93.3Very high92.5Very high35 Ų3537.3 Ų37.316%0.16418%0.178CC..EExtended strand (participates in β ladder)trans-137.4130.8177.2-59174.7-152.600112.1K74 R75 L76 G133 R135K74-E101 PolarHBondContact O-N 3.12Å; R75-E101 VanDerWaalsContact CA-O 3.31Å; R75-E101 WeakPolarHBondContact CA-O 3.29Å; R75-E101 HydrophobicContact CB-CB 4.46Å; R75-E101 WeakPolarHBondContact CD-OE2 3.42Å; R75-E101 HydrophobicContact CG-CB 3.85Å; R75-E101 HydrophobicContact CG-CG 4.28Å; R75-E101 IonicContact CZ-OE1 2.87Å; R75-E101 IonicContact NE-OE2 2.58Å; R75-E101 IonicContact NH1-OE1 3.79Å; R75-E101 PolarHBondContact NH1-OE1 3.24Å; R75-E101 IonicContact NH1-OE2 2.78Å; R75-E101 PolarHBondContact NH1-OE2 2.83Å; L76-E101 PolarHBondContact N-O 3.3Å; E101-G133 CarbonylContact C-O 3.26Å; E101-G133 VanDerWaalsContact CA-O 3.28Å; E101-G133 WeakPolarHBondContact CA-O 3.43Å; E101-R135 IonicContact OE2-NH2 2.65Å
102I95.7Very high92.2Very high1 Ų140.9 Ų40.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-122.8133.3173.5-66.7172.1000108.8L76 L94 L99 F104 L131 G133 L134 R135L76-I102 HydrophobicContact CB-CG1 4.47Å; L76-I102 CarbonylContact O-C 3.56Å; L76-I102 WeakPolarHBondContact O-CA 3.45Å; L94-I102 HydrophobicContact CD2-CD1 3.91Å; L99-I102 HydrophobicContact CD1-CD1 3.96Å; L99-I102 HydrophobicContact CD1-CG1 4.19Å; I102-F104 HydrophobicContact CG2-CD1 3.93Å; I102-F104 HydrophobicContact CG2-CD2 3.87Å; I102-F104 HydrophobicContact CG2-CE1 3.52Å; I102-F104 HydrophobicContact CG2-CE2 3.45Å; I102-F104 VanDerWaalsContact CG2-CE2 3.45Å; I102-F104 HydrophobicContact CG2-CG 4.11Å; I102-F104 HydrophobicContact CG2-CZ 3.28Å; I102-L131 HydrophobicContact CB-CD1 4.29Å; I102-L131 HydrophobicContact CD1-CD1 3.86Å; I102-L131 HydrophobicContact CD1-CD2 4.46Å; I102-L131 HydrophobicContact CG1-CD1 3.84Å; I102-G133 PolarHBondContact N-O 3.38Å; I102-L134 HydrophobicContact CB-CD1 3.77Å; I102-L134 HydrophobicContact CG2-CD1 3.72Å; I102-L134 CarbonylContact O-C 3.59Å; I102-L134 WeakPolarHBondContact O-CA 3.48Å; I102-R135 PolarHBondContact O-N 3.49Å
103T95Very high91.9Very high15 Ų1544 Ų449%0.09220%0.203CC..EExtended strand (participates in β ladder)trans-129.9114.5174.3-58.50000109.7L76 S77 F78 R135L76-T103 PolarHBondContact O-N 3.44Å; S77-T103 CarbonylContact C-O 3.18Å; S77-T103 VanDerWaalsContact CA-O 3.31Å; S77-T103 WeakPolarHBondContact CA-O 3.14Å; F78-T103 PolarHBondContact N-O 3.44Å; T103-R135 CarbonylContact C-O 3.5Å; T103-R135 WeakPolarHBondContact CA-O 3.49Å; T103-R135 HydrophobicContact CG2-CB 3.96Å; T103-R135 PolarHBondContact OG1-NE 3.27Å; T103-R135 PolarHBondContact OG1-NH2 3.18Å
104F95.3Very high91.6Very high0 Ų046.3 Ų46.30%022%0.217CC..EExtended strand (participates in β ladder)trans-117.1100.3172-57.8-32.9000108.5L76 F78 L83 V90 L93 I102 C107 L109 R135 L136 P137 N139L76-F104 HydrophobicContact CD2-CE1 4.07Å; L76-F104 HydrophobicContact CD2-CZ 4.28Å; L76-F104 HydrophobicContact CG-CE1 4.34Å; F78-F104 HydrophobicContact CB-CD1 3.86Å; F78-F104 HydrophobicContact CB-CE1 4.4Å; F78-F104 AromaticContact CD2-CD1 3.6Å; F78-F104 HydrophobicContact CD2-CD1 3.6Å; F78-F104 AromaticContact CD2-CE1 3.33Å; F78-F104 HydrophobicContact CD2-CE1 3.33Å; F78-F104 HydrophobicContact CD2-CZ 4.31Å; F78-F104 HydrophobicContact CE2-CD1 4.48Å; F78-F104 AromaticContact CE2-CE1 3.78Å; F78-F104 HydrophobicContact CE2-CE1 3.78Å; F78-F104 HydrophobicContact CE2-CZ 4.47Å; F78-F104 HydrophobicContact CG-CD1 4.02Å; F78-F104 HydrophobicContact CG-CE1 4.05Å; F78-F104 CarbonylContact O-C 3.57Å; F78-F104 WeakPolarHBondContact O-CA 3.2Å; L83-F104 HydrophobicContact CD1-CB 4.02Å; L83-F104 HydrophobicContact CD1-CD1 3.94Å; L83-F104 HydrophobicContact CD1-CD2 3.82Å; L83-F104 HydrophobicContact CD1-CE1 4.32Å; L83-F104 HydrophobicContact CD1-CE2 4.21Å; L83-F104 HydrophobicContact CD1-CG 3.66Å; L83-F104 HydrophobicContact CD1-CZ 4.44Å; V90-F104 HydrophobicContact CG1-CE2 3.81Å; V90-F104 HydrophobicContact CG2-CE2 4.24Å; L93-F104 HydrophobicContact CD1-CZ 4.4Å; I102-F104 HydrophobicContact CG2-CD1 3.93Å; I102-F104 HydrophobicContact CG2-CD2 3.87Å; I102-F104 HydrophobicContact CG2-CE1 3.52Å; I102-F104 HydrophobicContact CG2-CE2 3.45Å; I102-F104 VanDerWaalsContact CG2-CE2 3.45Å; I102-F104 HydrophobicContact CG2-CG 4.11Å; I102-F104 HydrophobicContact CG2-CZ 3.28Å; F104-C107 HydrophobicContact CB-CB 4.1Å; F104-L109 HydrophobicContact CD2-CD2 4.26Å; F104-R135 PolarHBondContact N-O 3.44Å; F104-L136 HydrophobicContact CB-CD2 4.03Å; F104-L136 HydrophobicContact CD2-CD2 3.82Å; F104-L136 HydrophobicContact CG-CD2 4.35Å; F104-L136 CarbonylContact O-C 3.6Å; F104-L136 VanDerWaalsContact O-CA 3.31Å; F104-L136 WeakPolarHBondContact O-CA 3.06Å; F104-P137 WeakPolarHBondContact O-CD 3.03Å; F104-N139 PolarHBondContact O-ND2 3.35Å
105S91.3Very high91.4Very high17 Ų1750.2 Ų50.212%0.11925%0.25CC..EExtended strand (participates in β ladder)trans-102.8127.2-178-57.80000110.4F78 H79 D80 C107 P137F78-S105 PolarHBondContact O-N 3.09Å; H79-S105 WeakPolarHBondContact CA-O 3.44Å; H79-S105 WeakPolarHBondContact ND1-CB 3.2Å; D80-S105 PolarHBondContact N-O 3.39Å; S105-C107 PolarHBondContact O-N 2.82Å; S105-C107 PolarHBondContact O-SG 3.48Å; S105-P137 CarbonylContact C-O 3.23Å; S105-P137 WeakPolarHBondContact CA-O 3.5Å; S105-P137 VanDerWaalsContact OG-CG 3.28Å; S105-P137 WeakPolarHBondContact OG-CG 3.33Å
106F90.2Very high91.4Very high92 Ų9250.2 Ų50.240%0.40425%0.25SC..SBendtrans54.733.3179.7-57.4-83.1000113.3H79 R108 P137H79-F106 AromaticContact CE1-CD2 3.68Å; F106-R108 PolarHBondContact O-N 3.31Å; F106-P137 PolarHBondContact N-O 3.09Å
107C93.5Very high91.7Very high0 Ų049.4 Ų49.40%025%0.245CC..  trans-93.510.6-170.7-66.10000115F78 M81 L83 F104 S105 L109 N139F78-C107 PolarHBondContact O-SG 3.23Å; M81-C107 CarbonylContact O-C 3.44Å; M81-C107 VanDerWaalsContact O-C 3.26Å; M81-C107 WeakPolarHBondContact O-CA 3.35Å; M81-C107 VanDerWaalsContact O-CB 3.26Å; M81-C107 WeakPolarHBondContact O-CB 3.45Å; M81-C107 VanDerWaalsContact O-O 3.06Å; L83-C107 HydrophobicContact CB-CB 4.28Å; L83-C107 WeakPolarHBondContact CB-O 3.35Å; L83-C107 HydrophobicContact CD1-CB 3.55Å; L83-C107 HydrophobicContact CG-CB 3.91Å; L83-C107 PolarHBondContact N-O 3.14Å; F104-C107 HydrophobicContact CB-CB 4.1Å; S105-C107 PolarHBondContact O-N 2.82Å; S105-C107 PolarHBondContact O-SG 3.48Å; C107-L109 PolarHBondContact O-N 2.87Å; C107-N139 VanDerWaalsContact C-OD1 3.29Å; C107-N139 VanDerWaalsContact CA-OD1 3.32Å; C107-N139 WeakPolarHBondContact CA-OD1 3.26Å; C107-N139 WeakPolarHBondContact CB-OD1 2.99Å; C107-N139 PolarHBondContact N-OD1 3.38Å
108R92.8Very high91.9Very high113 Ų11345.3 Ų45.343%0.42622%0.224SC..  trans56.322.3177.7-52.7-175.9-166.8176.84.1114.4A84 F106 F110 E111 N139A84-R108 HydrophobicContact CB-CB 4.35Å; A84-R108 WeakPolarHBondContact CB-O 3.4Å; F106-R108 PolarHBondContact O-N 3.31Å; R108-F110 PolarHBondContact O-N 3.21Å; R108-F110 VanDerWaalsContact O-N 3.09Å; R108-E111 HydrophobicContact CB-CB 4.41Å; R108-E111 VanDerWaalsContact CB-CD 3.46Å; R108-E111 HydrophobicContact CB-CG 3.87Å; R108-E111 WeakPolarHBondContact CG-OE1 3.28Å; R108-E111 WeakPolarHBondContact O-CB 3.43Å; R108-E111 PolarHBondContact O-N 3.48Å; R108-N139 PolarHBondContact N-OD1 2.8Å
109L93.3Very high91.9Very high0 Ų046.6 Ų46.60%023%0.233CC..THydrogen-bonded Turntrans-56.9-33.9-167.7-177.563.7000114.1L83 Q87 V90 F104 C107 F117 M121 L136 N139L83-L109 HydrophobicContact CB-CD1 3.86Å; L83-L109 HydrophobicContact CD1-CD1 4.29Å; Q87-L109 PolarHBondContact NE2-O 2.89Å; V90-L109 HydrophobicContact CB-CD1 4.26Å; V90-L109 HydrophobicContact CG1-CD1 4.03Å; V90-L109 HydrophobicContact CG1-CD2 4.48Å; V90-L109 HydrophobicContact CG2-CD1 3.9Å; F104-L109 HydrophobicContact CD2-CD2 4.26Å; C107-L109 PolarHBondContact O-N 2.87Å; L109-F117 HydrophobicContact CD1-CE1 3.88Å; L109-F117 HydrophobicContact CD1-CZ 3.84Å; L109-F117 HydrophobicContact CD2-CE1 4.01Å; L109-F117 HydrophobicContact CD2-CZ 4.28Å; L109-F117 HydrophobicContact CG-CE1 3.69Å; L109-F117 HydrophobicContact CG-CZ 4.11Å; L109-M121 HydrophobicContact CD2-CE 4.29Å; L109-M121 HydrophobicContact CD2-SD 4.42Å; L109-L136 HydrophobicContact CD2-CD2 3.91Å; L109-N139 HydrophobicContact CB-CB 4Å; L109-N139 WeakPolarHBondContact CB-OD1 3.25Å; L109-N139 PolarHBondContact N-OD1 2.9Å; L109-N139 VanDerWaalsContact N-OD1 3.15Å
110F91.4Very high91.9Very high5 Ų551.7 Ų51.72%0.02226%0.257CS..THydrogen-bonded Turntrans-103.411.5-177.9-54.2-72.7000113.8R108 K112 P114 F117 L118 M121 L136 N139 L141 L149R108-F110 PolarHBondContact O-N 3.21Å; R108-F110 VanDerWaalsContact O-N 3.09Å; F110-K112 VanDerWaalsContact C-N 3.3Å; F110-K112 PolarHBondContact O-N 3.4Å; F110-P114 HydrophobicContact CB-CB 4.41Å; F110-F117 AromaticContact CD1-CD1 3.79Å; F110-F117 HydrophobicContact CD1-CD1 3.79Å; F110-F117 AromaticContact CD1-CE1 3.96Å; F110-F117 HydrophobicContact CD1-CE1 3.96Å; F110-F117 AromaticContact CE1-CD1 3.7Å; F110-F117 HydrophobicContact CE1-CD1 3.7Å; F110-F117 AromaticContact CE1-CE1 3.52Å; F110-F117 HydrophobicContact CE1-CE1 3.52Å; F110-F117 HydrophobicContact CZ-CE1 4.31Å; F110-L118 HydrophobicContact CD1-CD2 3.97Å; F110-L118 HydrophobicContact CD1-CG 4.16Å; F110-L118 HydrophobicContact CE1-CD2 3.5Å; F110-L118 VanDerWaalsContact CE1-CD2 3.5Å; F110-L118 HydrophobicContact CE1-CG 4.11Å; F110-L118 HydrophobicContact CZ-CD2 4.23Å; F110-M121 HydrophobicContact CE1-SD 3.78Å; F110-M121 HydrophobicContact CZ-CE 4.31Å; F110-M121 HydrophobicContact CZ-SD 3.71Å; F110-L136 HydrophobicContact CE2-CD1 4.11Å; F110-L136 HydrophobicContact CZ-CD1 4.01Å; F110-N139 WeakPolarHBondContact CB-O 3.45Å; F110-N139 HydrophobicContact CD2-CB 3.66Å; F110-N139 WeakPolarHBondContact CD2-O 3.24Å; F110-N139 HydrophobicContact CE2-CB 3.94Å; F110-N139 PolarHBondContact N-O 2.87Å; F110-L141 HydrophobicContact CD1-CD1 3.85Å; F110-L141 HydrophobicContact CD2-CB 3.77Å; F110-L141 HydrophobicContact CD2-CD1 3.65Å; F110-L141 HydrophobicContact CD2-CG 4.32Å; F110-L141 HydrophobicContact CE1-CD1 3.74Å; F110-L141 HydrophobicContact CE2-CB 4.12Å; F110-L141 HydrophobicContact CE2-CD1 3.54Å; F110-L141 HydrophobicContact CE2-CG 4.36Å; F110-L141 HydrophobicContact CG-CB 4.37Å; F110-L141 HydrophobicContact CG-CD1 3.82Å; F110-L141 HydrophobicContact CZ-CD1 3.59Å; F110-L149 HydrophobicContact CZ-CD1 4.43Å
111E89.6Confident91.9Very high76 Ų7649 Ų4936%0.35524%0.244SC..SBendtrans-70.2-24.8179.3-73.7-170.8-17800113.3A84 R108 R140A84-E111 HydrophobicContact CB-CB 4.38Å; R108-E111 HydrophobicContact CB-CB 4.41Å; R108-E111 VanDerWaalsContact CB-CD 3.46Å; R108-E111 HydrophobicContact CB-CG 3.87Å; R108-E111 WeakPolarHBondContact CG-OE1 3.28Å; R108-E111 WeakPolarHBondContact O-CB 3.43Å; R108-E111 PolarHBondContact O-N 3.48Å; E111-R140 HydrophobicContact CG-CB 4.47Å; E111-R140 HydrophobicContact CG-CG 4.26Å; E111-R140 IonicContact OE1-CZ 3.19Å; E111-R140 IonicContact OE1-NE 3.64Å; E111-R140 PolarHBondContact OE1-NE 3.35Å; E111-R140 IonicContact OE1-NH2 3.06Å; E111-R140 PolarHBondContact OE1-NH2 3.11Å
112K88.8Confident91.9Very high88 Ų8848 Ų4838%0.38324%0.24SC..SBendtrans-118.5137.9179.5-72.3-179.8174174.80110.3A84 D85 Q87 F110 P114A84-K112 HydrophobicContact CB-CD 4.01Å; A84-K112 HydrophobicContact CB-CG 4.15Å; D85-K112 WeakPolarHBondContact OD1-CD 3.38Å; D85-K112 IonicContact OD1-NZ 2.61Å; D85-K112 PolarHBondContact OD1-NZ 2.82Å; D85-K112 IonicContact OD2-NZ 2.74Å; D85-K112 PolarHBondContact OD2-NZ 3.36Å; Q87-K112 PolarHBondContact NE2-O 3.17Å; F110-K112 VanDerWaalsContact C-N 3.3Å; F110-K112 PolarHBondContact O-N 3.4Å; K112-P114 VanDerWaalsContact C-N 3.33Å; K112-P114 WeakPolarHBondContact O-CD 3.11Å
113R87.3Confident91.7Very high137 Ų13751 Ų5152%0.51727%0.265SS..  trans47.639.9168-71.6-175.5-75.9112.2-2.7116A115 Q116 F117R113-A115 PolarHBondContact O-N 2.75Å; R113-Q116 PolarHBondContact O-N 3.24Å; R113-Q116 VanDerWaalsContact O-N 3.14Å; R113-Q116 PolarHBondContact O-OE1 2.92Å; R113-F117 PolarHBondContact O-N 2.97Å
114P87.3Confident91.6Very high50 Ų5050.6 Ų50.633%0.32526%0.263SS..Hα-helixtrans-62.7-30.2-174.626.3-35.3000113F110 K112 Q116 F117 L118F110-P114 HydrophobicContact CB-CB 4.41Å; K112-P114 VanDerWaalsContact C-N 3.33Å; K112-P114 WeakPolarHBondContact O-CD 3.11Å; P114-Q116 VanDerWaalsContact C-N 3.3Å; P114-Q116 PolarHBondContact O-N 3.15Å; P114-F117 PolarHBondContact O-N 2.75Å; P114-L118 HydrophobicContact CB-CD1 4.19Å; P114-L118 VanDerWaalsContact O-CB 3.25Å; P114-L118 WeakPolarHBondContact O-CB 3.37Å; P114-L118 WeakPolarHBondContact O-CD1 3.42Å; P114-L118 WeakPolarHBondContact O-CG 3.37Å; P114-L118 PolarHBondContact O-N 2.88Å
115A87.6Confident91.4Very high82 Ų8250.6 Ų50.668%0.67826%0.263SS*.Hα-helixtrans-64-31.8178.800000113.4R113 P119R113-A115 PolarHBondContact O-N 2.75Å; A115-P119 WeakPolarHBondContact O-CD 3.31Å
116Q90.9Very high91.3Very high110 Ų11051.7 Ų51.751%0.51427%0.266SS..Hα-helixtrans-87.1-42.2174.2-62.8100.61.900111.6R113 P114 P119R113-Q116 PolarHBondContact O-N 3.24Å; R113-Q116 VanDerWaalsContact O-N 3.14Å; R113-Q116 PolarHBondContact O-OE1 2.92Å; P114-Q116 VanDerWaalsContact C-N 3.3Å; P114-Q116 PolarHBondContact O-N 3.15Å; Q116-P119 WeakPolarHBondContact O-CD 3.34Å
117F93.1Very high91.1Very high5 Ų549.9 Ų49.92%0.02227%0.273CS..Hα-helixtrans-69.9-38.4-173.7176.6-115.9000113.6Q87 V90 L91 L109 F110 R113 P114 E120 M121Q87-F117 HydrophobicContact CB-CD2 3.64Å; Q87-F117 HydrophobicContact CB-CE2 3.77Å; Q87-F117 HydrophobicContact CB-CG 4.25Å; Q87-F117 HydrophobicContact CG-CD1 4.37Å; Q87-F117 HydrophobicContact CG-CD2 3.93Å; Q87-F117 HydrophobicContact CG-CE2 4.08Å; Q87-F117 HydrophobicContact CG-CG 4.07Å; Q87-F117 HydrophobicContact CG-CZ 4.4Å; Q87-F117 WeakPolarHBondContact O-CE2 3.37Å; V90-F117 HydrophobicContact CB-CZ 4.44Å; V90-F117 HydrophobicContact CG1-CE2 4.5Å; V90-F117 HydrophobicContact CG1-CZ 3.96Å; L91-F117 HydrophobicContact CD1-CD2 4.43Å; L91-F117 HydrophobicContact CD1-CE2 4.45Å; L91-F117 HydrophobicContact CD2-CD2 4.16Å; L91-F117 HydrophobicContact CD2-CE2 3.68Å; L91-F117 HydrophobicContact CG-CD2 4.26Å; L91-F117 HydrophobicContact CG-CE2 3.81Å; L109-F117 HydrophobicContact CD1-CE1 3.88Å; L109-F117 HydrophobicContact CD1-CZ 3.84Å; L109-F117 HydrophobicContact CD2-CE1 4.01Å; L109-F117 HydrophobicContact CD2-CZ 4.28Å; L109-F117 HydrophobicContact CG-CE1 3.69Å; L109-F117 HydrophobicContact CG-CZ 4.11Å; F110-F117 AromaticContact CD1-CD1 3.79Å; F110-F117 HydrophobicContact CD1-CD1 3.79Å; F110-F117 AromaticContact CD1-CE1 3.96Å; F110-F117 HydrophobicContact CD1-CE1 3.96Å; F110-F117 AromaticContact CE1-CD1 3.7Å; F110-F117 HydrophobicContact CE1-CD1 3.7Å; F110-F117 AromaticContact CE1-CE1 3.52Å; F110-F117 HydrophobicContact CE1-CE1 3.52Å; F110-F117 HydrophobicContact CZ-CE1 4.31Å; R113-F117 PolarHBondContact O-N 2.97Å; P114-F117 PolarHBondContact O-N 2.75Å; F117-E120 PolarHBondContact O-N 2.83Å; F117-M121 HydrophobicContact CE1-CB 4.41Å; F117-M121 HydrophobicContact CE1-CG 4.39Å; F117-M121 HydrophobicContact CE1-SD 3.63Å; F117-M121 HydrophobicContact CE2-CB 4.47Å; F117-M121 HydrophobicContact CZ-CB 4.26Å; F117-M121 HydrophobicContact CZ-CG 4.14Å; F117-M121 HydrophobicContact CZ-SD 3.82Å; F117-M121 WeakPolarHBondContact O-CB 3.28Å; F117-M121 PolarHBondContact O-N 2.95Å
118L92.7Very high91Very high14 Ų1450 Ų507%0.07327%0.274CS..Hα-helixtrans-61.7-49-175.1-81.8163.5000114F110 P114 E120 M121 V122 L141 G145 A148 L149F110-L118 HydrophobicContact CD1-CD2 3.97Å; F110-L118 HydrophobicContact CD1-CG 4.16Å; F110-L118 HydrophobicContact CE1-CD2 3.5Å; F110-L118 VanDerWaalsContact CE1-CD2 3.5Å; F110-L118 HydrophobicContact CE1-CG 4.11Å; F110-L118 HydrophobicContact CZ-CD2 4.23Å; P114-L118 HydrophobicContact CB-CD1 4.19Å; P114-L118 VanDerWaalsContact O-CB 3.25Å; P114-L118 WeakPolarHBondContact O-CB 3.37Å; P114-L118 WeakPolarHBondContact O-CD1 3.42Å; P114-L118 WeakPolarHBondContact O-CG 3.37Å; P114-L118 PolarHBondContact O-N 2.88Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 3.28Å; L118-M121 PolarHBondContact O-N 3Å; L118-V122 VanDerWaalsContact O-CG2 3.3Å; L118-V122 WeakPolarHBondContact O-CG2 3.48Å; L118-V122 PolarHBondContact O-N 2.97Å; L118-L141 HydrophobicContact CD1-CD1 4.29Å; L118-L141 HydrophobicContact CD2-CD1 3.5Å; L118-L141 HydrophobicContact CG-CD1 4.43Å; L118-G145 VanDerWaalsContact CD1-CA 3.47Å; L118-A148 HydrophobicContact CB-CB 4.46Å; L118-L149 HydrophobicContact CD2-CD2 4.12Å; L118-L149 HydrophobicContact CD2-CG 4.19Å
119P92.9Very high90.8Very high80 Ų8047.9 Ų47.952%0.51928%0.277SS..Hα-helixtrans-56.8-43.1175.7-26.634.5000113.2A115 Q116 V122 A123A115-P119 WeakPolarHBondContact O-CD 3.31Å; Q116-P119 WeakPolarHBondContact O-CD 3.34Å; P119-V122 PolarHBondContact O-N 3.45Å; P119-A123 WeakPolarHBondContact O-CB 3.33Å; P119-A123 PolarHBondContact O-N 2.8Å
120E94.9Very high90.7Very high109 Ų10949.6 Ų49.651%0.50929%0.287SS..Hα-helixtrans-65.3-41.2178.8-66.5179.4-149.300111.6L91 F117 L118 A123 A124L91-E120 HydrophobicContact CD1-CB 3.81Å; L91-E120 WeakPolarHBondContact CD1-OE2 3.44Å; L91-E120 HydrophobicContact CD2-CB 4Å; F117-E120 PolarHBondContact O-N 2.83Å; L118-E120 VanDerWaalsContact C-N 3.31Å; L118-E120 PolarHBondContact O-N 3.28Å; E120-A123 PolarHBondContact O-N 3.18Å; E120-A124 WeakPolarHBondContact O-CB 3.25Å; E120-A124 PolarHBondContact O-N 2.78Å
121M94.1Very high90.6Very high0 Ų049.4 Ų49.40%029%0.286CS..Hα-helixtrans-63.2-43.8176.7-165.5-175.4169.700111.7L91 L94 L109 F110 F117 L118 A124 M125 L134 L136 L149L91-M121 HydrophobicContact CD2-CB 4.05Å; L94-M121 HydrophobicContact CD1-CE 3.86Å; L94-M121 HydrophobicContact CD1-CG 3.45Å; L94-M121 VanDerWaalsContact CD1-CG 3.45Å; L94-M121 HydrophobicContact CD1-SD 4.35Å; L109-M121 HydrophobicContact CD2-CE 4.29Å; L109-M121 HydrophobicContact CD2-SD 4.42Å; F110-M121 HydrophobicContact CE1-SD 3.78Å; F110-M121 HydrophobicContact CZ-CE 4.31Å; F110-M121 HydrophobicContact CZ-SD 3.71Å; F117-M121 HydrophobicContact CE1-CB 4.41Å; F117-M121 HydrophobicContact CE1-CG 4.39Å; F117-M121 HydrophobicContact CE1-SD 3.63Å; F117-M121 HydrophobicContact CE2-CB 4.47Å; F117-M121 HydrophobicContact CZ-CB 4.26Å; F117-M121 HydrophobicContact CZ-CG 4.14Å; F117-M121 HydrophobicContact CZ-SD 3.82Å; F117-M121 WeakPolarHBondContact O-CB 3.28Å; F117-M121 PolarHBondContact O-N 2.95Å; L118-M121 PolarHBondContact O-N 3Å; M121-A124 PolarHBondContact O-N 3.18Å; M121-M125 HydrophobicContact CE-CE 4.27Å; M121-M125 HydrophobicContact CE-SD 4.5Å; M121-M125 HydrophobicContact CG-CE 3.95Å; M121-M125 WeakPolarHBondContact O-CE 3.41Å; M121-M125 WeakPolarHBondContact O-CG 3.34Å; M121-M125 PolarHBondContact O-N 2.92Å; M121-L134 HydrophobicContact CE-CD2 3.8Å; M121-L136 HydrophobicContact CE-CD1 3.52Å; M121-L136 HydrophobicContact CE-CD2 4.26Å; M121-L136 HydrophobicContact CE-CG 4.49Å; M121-L149 HydrophobicContact SD-CD2 4.21Å
122V91.5Very high90.5Very high14 Ų1449.5 Ų49.59%0.08529%0.286CS..Hα-helixtrans-61.9-46.6175.3172.10000110.9L118 P119 A124 M125 K126 A148 L149 D151 V152L118-V122 VanDerWaalsContact O-CG2 3.3Å; L118-V122 WeakPolarHBondContact O-CG2 3.48Å; L118-V122 PolarHBondContact O-N 2.97Å; P119-V122 PolarHBondContact O-N 3.45Å; V122-A124 PolarHBondContact O-N 3.14Å; V122-M125 HydrophobicContact CG2-CE 4.37Å; V122-M125 PolarHBondContact O-N 3.26Å; V122-K126 HydrophobicContact CG1-CD 4.42Å; V122-K126 HydrophobicContact CG1-CG 4.46Å; V122-K126 WeakPolarHBondContact O-CG 3.35Å; V122-K126 PolarHBondContact O-N 3.45Å; V122-A148 VanDerWaalsContact CG2-O 3.22Å; V122-A148 WeakPolarHBondContact CG2-O 3.42Å; V122-L149 HydrophobicContact CG2-CD2 4.16Å; V122-D151 HydrophobicContact CG1-CB 4.19Å; V122-V152 HydrophobicContact CB-CG2 4.39Å; V122-V152 HydrophobicContact CG1-CG2 4Å; V122-V152 HydrophobicContact CG2-CG2 4.32Å
123A92.7Very high90.3Very high63 Ų6345.6 Ų45.652%0.52127%0.27SS..Hα-helixtrans-60.8-44.8177.400000112P119 E120 M125 K126 G127P119-A123 WeakPolarHBondContact O-CB 3.33Å; P119-A123 PolarHBondContact O-N 2.8Å; E120-A123 PolarHBondContact O-N 3.18Å; A123-M125 PolarHBondContact O-N 3.33Å; A123-K126 PolarHBondContact O-N 3.05Å; A123-G127 PolarHBondContact O-N 3.39Å; A123-G127 VanDerWaalsContact O-N 3.07Å
124A93.1Very high90.4Very high7 Ų739.1 Ų39.16%0.05825%0.246CC..Hα-helixtrans-58.5-45.4175.600000111.9L94 Q95 E120 M121 V122 G127 N128L94-A124 HydrophobicContact CB-CB 4.12Å; Q95-A124 HydrophobicContact CG-CB 3.87Å; E120-A124 WeakPolarHBondContact O-CB 3.25Å; E120-A124 PolarHBondContact O-N 2.78Å; M121-A124 PolarHBondContact O-N 3.18Å; V122-A124 PolarHBondContact O-N 3.14Å; A124-G127 PolarHBondContact O-N 3.38Å; A124-N128 WeakPolarHBondContact O-CB 3.39Å; A124-N128 PolarHBondContact O-N 2.72Å; A124-N128 VanDerWaalsContact O-N 3.13Å
125M90.4Very high90.5Very high0 Ų038.8 Ų38.80%024%0.238CC..Hα-helixtrans-67.8-37.5177.9-71.6-175.4-76.600113.4L94 M121 V122 A123 G127 N128 L134 L149 V152 S159 L161L94-M125 HydrophobicContact CD2-CG 4.24Å; M121-M125 HydrophobicContact CE-CE 4.27Å; M121-M125 HydrophobicContact CE-SD 4.5Å; M121-M125 HydrophobicContact CG-CE 3.95Å; M121-M125 WeakPolarHBondContact O-CE 3.41Å; M121-M125 WeakPolarHBondContact O-CG 3.34Å; M121-M125 PolarHBondContact O-N 2.92Å; V122-M125 HydrophobicContact CG2-CE 4.37Å; V122-M125 PolarHBondContact O-N 3.26Å; A123-M125 PolarHBondContact O-N 3.33Å; M125-G127 VanDerWaalsContact C-N 3.3Å; M125-G127 PolarHBondContact O-N 3.01Å; M125-N128 PolarHBondContact O-N 3.28Å; M125-L134 HydrophobicContact CE-CD2 4.43Å; M125-L134 HydrophobicContact CG-CD2 4.43Å; M125-L134 HydrophobicContact SD-CD2 3.25Å; M125-L134 WeakPolarHBondContact SD-CD2 3.44Å; M125-L149 HydrophobicContact CE-CD2 3.42Å; M125-L149 VanDerWaalsContact CE-CD2 3.42Å; M125-V152 HydrophobicContact CB-CG1 3.96Å; M125-V152 HydrophobicContact CB-CG2 3.87Å; M125-V152 HydrophobicContact CE-CG2 3.48Å; M125-V152 VanDerWaalsContact CE-CG2 3.48Å; M125-V152 HydrophobicContact SD-CG2 4.03Å; M125-S159 VanDerWaalsContact O-CB 3.27Å; M125-S159 WeakPolarHBondContact O-CB 3.4Å; M125-S159 PolarHBondContact O-OG 3.32Å; M125-L161 HydrophobicContact SD-CD2 4.28Å
126K88.9Confident90.6Very high41 Ų4134.9 Ų34.918%0.17821%0.206CC..Hα-helixtrans-62.1-39.1175.6-79.3-169.3168.5-166.70111.7V122 A123 N128 D151 S154 D156 S158 S159V122-K126 HydrophobicContact CG1-CD 4.42Å; V122-K126 HydrophobicContact CG1-CG 4.46Å; V122-K126 WeakPolarHBondContact O-CG 3.35Å; V122-K126 PolarHBondContact O-N 3.45Å; A123-K126 PolarHBondContact O-N 3.05Å; K126-N128 VanDerWaalsContact C-N 3.34Å; K126-D151 WeakPolarHBondContact CE-O 3.3Å; K126-D151 PolarHBondContact NZ-O 3.46Å; K126-S154 PolarHBondContact NZ-OG 3.29Å; K126-D156 IonicContact NZ-OD1 3.4Å; K126-D156 IonicContact NZ-OD2 3.89Å; K126-D156 PolarHBondContact NZ-OD2 2.85Å; K126-S158 CarbonylContact O-C 3.37Å; K126-S158 PolarHBondContact O-OG 2.92Å; K126-S159 PolarHBondContact O-N 3.43Å
127G87.1Confident90.3Very high54 Ų5430 Ų3056%0.55718%0.184SC*.Hα-helixtrans-79.7-10177.100000114.9A123 A124 M125A123-G127 PolarHBondContact O-N 3.39Å; A123-G127 VanDerWaalsContact O-N 3.07Å; A124-G127 PolarHBondContact O-N 3.38Å; M125-G127 VanDerWaalsContact C-N 3.3Å; M125-G127 PolarHBondContact O-N 3.01Å
128N90Very high89.9Confident2 Ų230.4 Ų30.41%0.01119%0.189CC..  trans-87.3123-178.4-169.2-56.4000111.8L94 N96 A124 M125 K126 T130 L131 S160L94-N128 PolarHBondContact O-ND2 2.88Å; N96-N128 PolarHBondContact O-ND2 2.87Å; A124-N128 WeakPolarHBondContact O-CB 3.39Å; A124-N128 PolarHBondContact O-N 2.72Å; A124-N128 VanDerWaalsContact O-N 3.13Å; M125-N128 PolarHBondContact O-N 3.28Å; K126-N128 VanDerWaalsContact C-N 3.34Å; N128-T130 PolarHBondContact OD1-N 3.49Å; N128-T130 PolarHBondContact OD1-OG1 3.31Å; N128-L131 HydrophobicContact CB-CB 4.48Å; N128-L131 WeakPolarHBondContact OD1-CB 3.37Å; N128-L131 PolarHBondContact OD1-N 3.4Å; N128-S160 PolarHBondContact O-N 3.35Å
129S88.7Confident89.7Confident69 Ų6929.7 Ų29.748%0.48319%0.185SC..SBendtrans-101.2-0-177.760.80000114.8S160S129-S160 VanDerWaalsContact C-CB 3.49Å; S129-S160 WeakPolarHBondContact O-CB 3.34Å; S129-S160 PolarHBondContact O-OG 3.5Å
130T90.9Very high89.2Confident35 Ų3534.2 Ų34.222%0.21519%0.192CC..SBendtrans-117.5-27.3-177.261.60000114.4L97 L99 N128 K132L97-T130 WeakPolarHBondContact CA-OG1 3.39Å; L97-T130 HydrophobicContact CB-CG2 4.41Å; L97-T130 WeakPolarHBondContact O-CG2 3.37Å; L97-T130 PolarHBondContact O-OG1 3.35Å; L99-T130 CarbonylContact O-C 3.57Å; L99-T130 VanDerWaalsContact O-C 3.32Å; L99-T130 PolarHBondContact O-OG1 3.25Å; N128-T130 PolarHBondContact OD1-N 3.49Å; N128-T130 PolarHBondContact OD1-OG1 3.31Å; T130-K132 PolarHBondContact O-N 3.07Å
131L90.9Very high88.7Confident2 Ų229.5 Ų29.51%0.0117%0.17CC..  trans-68.7112.4-179.4-173.369.2000109.6L94 L99 I102 N128 L134 S160 L161L94-L131 HydrophobicContact CD2-CD2 3.91Å; L99-L131 WeakPolarHBondContact O-CA 3.37Å; L99-L131 PolarHBondContact O-N 3.13Å; I102-L131 HydrophobicContact CB-CD1 4.29Å; I102-L131 HydrophobicContact CD1-CD1 3.86Å; I102-L131 HydrophobicContact CD1-CD2 4.46Å; I102-L131 HydrophobicContact CG1-CD1 3.84Å; N128-L131 HydrophobicContact CB-CB 4.48Å; N128-L131 WeakPolarHBondContact OD1-CB 3.37Å; N128-L131 PolarHBondContact OD1-N 3.4Å; L131-L134 HydrophobicContact CD2-CB 4.47Å; L131-S160 CarbonylContact O-C 3.32Å; L131-L161 HydrophobicContact CD2-CD1 4.22Å; L131-L161 HydrophobicContact CG-CD1 4.07Å; L131-L161 WeakPolarHBondContact O-CA 3.33Å; L131-L161 PolarHBondContact O-N 3.06Å; L131-L161 VanDerWaalsContact O-N 3.11Å
132K87.3Confident87.9Confident78 Ų7830.6 Ų30.634%0.33918%0.182SC..  trans-98.5-30.4-180-66.8174.7-177.3173.50112.2Q100 T130 C162 Q163 M215Q100-K132 WeakPolarHBondContact O-CA 3.45Å; Q100-K132 PolarHBondContact O-N 3.44Å; T130-K132 PolarHBondContact O-N 3.07Å; K132-C162 CarbonylContact O-C 3.56Å; K132-C162 WeakPolarHBondContact O-CA 3.46Å; K132-C162 PolarHBondContact O-N 2.92Å; K132-Q163 PolarHBondContact O-N 2.88Å; K132-M215 HydrophobicContact CD-SD 4.09Å
133G84.3Confident87.1Confident6 Ų631 Ų316%0.06218%0.183CC..EExtended strand (participates in β ladder)trans-134.6130-177.300000113.3Q100 E101 I102 Q163Q100-G133 PolarHBondContact O-N 2.94Å; E101-G133 CarbonylContact C-O 3.26Å; E101-G133 VanDerWaalsContact CA-O 3.28Å; E101-G133 WeakPolarHBondContact CA-O 3.43Å; I102-G133 PolarHBondContact N-O 3.38Å; G133-Q163 CarbonylContact C-O 3.55Å; G133-Q163 WeakPolarHBondContact CA-O 3.45Å
134L89.3Confident86.4Confident0 Ų031.7 Ų31.70%019%0.189CC..EExtended strand (participates in β ladder)trans-129.5122.3172.9-178.361.5000109.6L94 I102 M121 M125 L131 L136 L161 Q163 L164 D165L94-L134 HydrophobicContact CD2-CD1 4.2Å; L94-L134 HydrophobicContact CD2-CD2 4.3Å; I102-L134 HydrophobicContact CB-CD1 3.77Å; I102-L134 HydrophobicContact CG2-CD1 3.72Å; I102-L134 CarbonylContact O-C 3.59Å; I102-L134 WeakPolarHBondContact O-CA 3.48Å; M121-L134 HydrophobicContact CE-CD2 3.8Å; M125-L134 HydrophobicContact CE-CD2 4.43Å; M125-L134 HydrophobicContact CG-CD2 4.43Å; M125-L134 HydrophobicContact SD-CD2 3.25Å; M125-L134 WeakPolarHBondContact SD-CD2 3.44Å; L131-L134 HydrophobicContact CD2-CB 4.47Å; L134-L136 HydrophobicContact CD1-CD2 3.9Å; L134-L136 HydrophobicContact CD1-CG 4.21Å; L134-L136 HydrophobicContact CD2-CD1 4.03Å; L134-L136 HydrophobicContact CD2-CG 4.35Å; L134-L136 HydrophobicContact CG-CD1 4.21Å; L134-L136 HydrophobicContact CG-CD2 4.24Å; L134-L136 HydrophobicContact CG-CG 3.99Å; L134-L161 HydrophobicContact CB-CD1 3.81Å; L134-L161 HydrophobicContact CB-CD2 4.44Å; L134-Q163 PolarHBondContact N-O 2.91Å; L134-L164 HydrophobicContact CB-CD1 4.09Å; L134-L164 HydrophobicContact CD2-CD1 4.02Å; L134-L164 HydrophobicContact CG-CD1 4.05Å; L134-L164 CarbonylContact O-C 3.49Å; L134-L164 VanDerWaalsContact O-CA 3.25Å; L134-L164 WeakPolarHBondContact O-CA 3.34Å; L134-D165 PolarHBondContact O-N 3.09Å
135R89.2Confident85.8Confident43 Ų4331.5 Ų31.516%0.16219%0.188CC..EExtended strand (participates in β ladder)trans-121.5120177.9-59.8-173.7-84.6-154.1-15.1109.1E101 I102 T103 F104 D165E101-R135 IonicContact OE2-NH2 2.65Å; I102-R135 PolarHBondContact O-N 3.49Å; T103-R135 CarbonylContact C-O 3.5Å; T103-R135 WeakPolarHBondContact CA-O 3.49Å; T103-R135 HydrophobicContact CG2-CB 3.96Å; T103-R135 PolarHBondContact OG1-NE 3.27Å; T103-R135 PolarHBondContact OG1-NH2 3.18Å; F104-R135 PolarHBondContact N-O 3.44Å; R135-D165 CarbonylContact C-O 3.48Å; R135-D165 WeakPolarHBondContact CA-O 3.29Å; R135-D165 HydrophobicContact CB-CB 4.04Å; R135-D165 HydrophobicContact CG-CB 3.78Å
136L89.6Confident85.1Confident0 Ų031.5 Ų31.50%019%0.188CC..  trans-123.644.3-178.3-54.6171.2000112.4F104 L109 F110 M121 L134 G138 N139 L149 D165 I166 S169F104-L136 HydrophobicContact CB-CD2 4.03Å; F104-L136 HydrophobicContact CD2-CD2 3.82Å; F104-L136 HydrophobicContact CG-CD2 4.35Å; F104-L136 CarbonylContact O-C 3.6Å; F104-L136 VanDerWaalsContact O-CA 3.31Å; F104-L136 WeakPolarHBondContact O-CA 3.06Å; L109-L136 HydrophobicContact CD2-CD2 3.91Å; F110-L136 HydrophobicContact CE2-CD1 4.11Å; F110-L136 HydrophobicContact CZ-CD1 4.01Å; M121-L136 HydrophobicContact CE-CD1 3.52Å; M121-L136 HydrophobicContact CE-CD2 4.26Å; M121-L136 HydrophobicContact CE-CG 4.49Å; L134-L136 HydrophobicContact CD1-CD2 3.9Å; L134-L136 HydrophobicContact CD1-CG 4.21Å; L134-L136 HydrophobicContact CD2-CD1 4.03Å; L134-L136 HydrophobicContact CD2-CG 4.35Å; L134-L136 HydrophobicContact CG-CD1 4.21Å; L134-L136 HydrophobicContact CG-CD2 4.24Å; L134-L136 HydrophobicContact CG-CG 3.99Å; L136-G138 PolarHBondContact O-N 2.95Å; L136-N139 WeakPolarHBondContact CA-ND2 3.43Å; L136-N139 PolarHBondContact O-ND2 2.84Å; L136-L149 HydrophobicContact CD1-CD1 3.98Å; L136-D165 PolarHBondContact N-O 2.87Å; L136-I166 HydrophobicContact CB-CG2 4.27Å; L136-I166 HydrophobicContact CD1-CG2 4.37Å; L136-S169 PolarHBondContact O-OG 3.06Å
137P84.2Confident84.5Confident8 Ų831.7 Ų31.75%0.05219%0.191CC..THydrogen-bonded Turntrans-64.6137.6-176.625.2-31.6000112.3F104 S105 F106 N139 S167 W168F104-P137 WeakPolarHBondContact O-CD 3.03Å; S105-P137 CarbonylContact C-O 3.23Å; S105-P137 WeakPolarHBondContact CA-O 3.5Å; S105-P137 VanDerWaalsContact OG-CG 3.28Å; S105-P137 WeakPolarHBondContact OG-CG 3.33Å; F106-P137 PolarHBondContact N-O 3.09Å; P137-N139 PolarHBondContact O-N 3.46Å; P137-N139 PolarHBondContact O-ND2 2.93Å; P137-S167 CarbonylContact C-O 3.36Å; P137-S167 WeakPolarHBondContact CA-O 3.22Å; P137-W168 HydrophobicContact CB-CE3 3.48Å; P137-W168 VanDerWaalsContact CB-CE3 3.48Å; P137-W168 HydrophobicContact CB-CZ3 3.7Å
138G84.1Confident84.4Confident13 Ų1330.3 Ų30.313%0.13417%0.174CC..THydrogen-bonded Turntrans70.627.6172.100000115.9L136 S167 W168 S169L136-G138 PolarHBondContact O-N 2.95Å; G138-S167 PolarHBondContact N-O 2.84Å; G138-W168 WeakPolarHBondContact CA-O 3.4Å; G138-S169 PolarHBondContact N-OG 3.2Å; G138-S169 VanDerWaalsContact N-OG 3.09Å
139N89.1Confident84.1Confident0 Ų030.2 Ų30.20%017%0.173CC..SBendtrans-98.811.6-177-75-75.4000115.2F104 C107 R108 L109 F110 L136 P137 L141 S169F104-N139 PolarHBondContact O-ND2 3.35Å; C107-N139 VanDerWaalsContact C-OD1 3.29Å; C107-N139 VanDerWaalsContact CA-OD1 3.32Å; C107-N139 WeakPolarHBondContact CA-OD1 3.26Å; C107-N139 WeakPolarHBondContact CB-OD1 2.99Å; C107-N139 PolarHBondContact N-OD1 3.38Å; R108-N139 PolarHBondContact N-OD1 2.8Å; L109-N139 HydrophobicContact CB-CB 4Å; L109-N139 WeakPolarHBondContact CB-OD1 3.25Å; L109-N139 PolarHBondContact N-OD1 2.9Å; L109-N139 VanDerWaalsContact N-OD1 3.15Å; F110-N139 WeakPolarHBondContact CB-O 3.45Å; F110-N139 HydrophobicContact CD2-CB 3.66Å; F110-N139 WeakPolarHBondContact CD2-O 3.24Å; F110-N139 HydrophobicContact CE2-CB 3.94Å; F110-N139 PolarHBondContact N-O 2.87Å; L136-N139 WeakPolarHBondContact CA-ND2 3.43Å; L136-N139 PolarHBondContact O-ND2 2.84Å; P137-N139 PolarHBondContact O-N 3.46Å; P137-N139 PolarHBondContact O-ND2 2.93Å; N139-L141 VanDerWaalsContact C-N 3.35Å; N139-L141 PolarHBondContact O-N 2.79Å; N139-S169 PolarHBondContact N-OG 2.7Å
140R83.6Confident83.5Confident174 Ų17427 Ų2766%0.65715%0.15SC*.  trans56.737.5178.6-47.2-159.4-160.2-154.110.5115.7E111 G142 S169E111-R140 HydrophobicContact CG-CB 4.47Å; E111-R140 HydrophobicContact CG-CG 4.26Å; E111-R140 IonicContact OE1-CZ 3.19Å; E111-R140 IonicContact OE1-NE 3.64Å; E111-R140 PolarHBondContact OE1-NE 3.35Å; E111-R140 IonicContact OE1-NH2 3.06Å; E111-R140 PolarHBondContact OE1-NH2 3.11Å; R140-G142 VanDerWaalsContact C-N 3.34Å; R140-G142 PolarHBondContact O-N 2.82Å; R140-S169 CarbonylContact C-O 3.57Å
141L82.8Confident83.1Confident10 Ų1027.5 Ų27.55%0.05215%0.152CC..  trans-56.9-38.2179.7-177.669.7000114.9F110 L118 N139 G145 L146 L149 I166 S169F110-L141 HydrophobicContact CD1-CD1 3.85Å; F110-L141 HydrophobicContact CD2-CB 3.77Å; F110-L141 HydrophobicContact CD2-CD1 3.65Å; F110-L141 HydrophobicContact CD2-CG 4.32Å; F110-L141 HydrophobicContact CE1-CD1 3.74Å; F110-L141 HydrophobicContact CE2-CB 4.12Å; F110-L141 HydrophobicContact CE2-CD1 3.54Å; F110-L141 HydrophobicContact CE2-CG 4.36Å; F110-L141 HydrophobicContact CG-CB 4.37Å; F110-L141 HydrophobicContact CG-CD1 3.82Å; F110-L141 HydrophobicContact CZ-CD1 3.59Å; L118-L141 HydrophobicContact CD1-CD1 4.29Å; L118-L141 HydrophobicContact CD2-CD1 3.5Å; L118-L141 HydrophobicContact CG-CD1 4.43Å; N139-L141 VanDerWaalsContact C-N 3.35Å; N139-L141 PolarHBondContact O-N 2.79Å; L141-G145 VanDerWaalsContact CG-C 3.49Å; L141-L146 HydrophobicContact CD2-CB 4.12Å; L141-L149 HydrophobicContact CD1-CD1 3.89Å; L141-L149 HydrophobicContact CD1-CG 4.31Å; L141-L149 HydrophobicContact CD2-CD1 3.56Å; L141-L149 HydrophobicContact CD2-CG 4.33Å; L141-L149 HydrophobicContact CG-CD1 4.4Å; L141-I166 HydrophobicContact CD2-CB 4.38Å; L141-I166 HydrophobicContact CD2-CD1 3.57Å; L141-I166 HydrophobicContact CD2-CG2 4.38Å; L141-S169 PolarHBondContact N-O 3.34Å
142G77.8Confident82.7Confident23 Ų2327.4 Ų27.424%0.23715%0.151CC..Hα-helixtrans70.9177.6-171.700000114.3R140 L146 S169R140-G142 VanDerWaalsContact C-N 3.34Å; R140-G142 PolarHBondContact O-N 2.82Å; G142-L146 PolarHBondContact O-N 3.39Å; G142-S169 PolarHBondContact N-O 3.35Å
143N74.9Confident82.1Confident22 Ų2223.8 Ų23.812%0.11814%0.136CC..Hα-helixtrans-71.3-41.1-173-65-5.8000112.5G145 L146 L147 Y170 T171 D174 L178N143-G145 VanDerWaalsContact C-N 3.35Å; N143-G145 PolarHBondContact O-N 3.17Å; N143-L146 WeakPolarHBondContact O-CB 3.25Å; N143-L146 PolarHBondContact O-N 3.19Å; N143-L147 PolarHBondContact O-N 2.63Å; N143-Y170 WeakPolarHBondContact OD1-CB 3.4Å; N143-Y170 WeakPolarHBondContact OD1-CD2 3.48Å; N143-T171 PolarHBondContact ND2-O 3.19Å; N143-T171 PolarHBondContact OD1-N 2.61Å; N143-T171 PolarHBondContact OD1-O 3.42Å; N143-D174 PolarHBondContact ND2-OD2 3.35Å; N143-L178 HydrophobicContact CB-CD1 4.1Å; N143-L178 HydrophobicContact CB-CD2 3.71Å; N143-L178 VanDerWaalsContact CG-CD2 3.43Å; N143-L178 WeakPolarHBondContact OD1-CD2 3.42Å
144A78.4Confident81.7Confident79 Ų7924.3 Ų24.365%0.65314%0.139SC*.Hα-helixtrans-64.2-39.317700000112.2L146 L147 A148A144-L146 VanDerWaalsContact C-N 3.33Å; A144-L146 PolarHBondContact O-N 2.82Å; A144-L147 PolarHBondContact O-N 2.94Å; A144-A148 PolarHBondContact O-N 2.9Å
145G80.6Confident80.7Confident2 Ų231.4 Ų31.42%0.02117%0.172CC..Hα-helixtrans-68.6-32.9176.800000113L118 L141 N143 A148 L149L118-G145 VanDerWaalsContact CD1-CA 3.47Å; L141-G145 VanDerWaalsContact CG-C 3.49Å; N143-G145 VanDerWaalsContact C-N 3.35Å; N143-G145 PolarHBondContact O-N 3.17Å; G145-A148 PolarHBondContact O-N 2.94Å; G145-L149 WeakPolarHBondContact O-CG 3.44Å; G145-L149 PolarHBondContact O-N 3.39Å
146L76.1Confident79.9Confident1 Ų135 Ų351%0.00519%0.194CC..Hα-helixtrans-60.9-45.9172.3160.856.5000111.5L141 G142 N143 A144 A148 L149 A150 I166 Y170 L178 V182 F222L141-L146 HydrophobicContact CD2-CB 4.12Å; G142-L146 PolarHBondContact O-N 3.39Å; N143-L146 WeakPolarHBondContact O-CB 3.25Å; N143-L146 PolarHBondContact O-N 3.19Å; A144-L146 VanDerWaalsContact C-N 3.33Å; A144-L146 PolarHBondContact O-N 2.82Å; L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 3.21Å; L146-L149 PolarHBondContact O-N 3.49Å; L146-A150 PolarHBondContact O-N 3.25Å; L146-I166 HydrophobicContact CB-CD1 3.87Å; L146-I166 HydrophobicContact CD1-CD1 3.31Å; L146-I166 HydrophobicContact CD1-CG1 4.48Å; L146-I166 HydrophobicContact CD2-CD1 4.4Å; L146-I166 HydrophobicContact CG-CD1 4.02Å; L146-Y170 HydrophobicContact CD2-CD1 3.92Å; L146-Y170 HydrophobicContact CD2-CE1 3.99Å; L146-Y170 HydrophobicContact CD2-CG 4.27Å; L146-L178 HydrophobicContact CD2-CD1 4.12Å; L146-L178 HydrophobicContact CD2-CD2 3.73Å; L146-L178 HydrophobicContact CD2-CG 3.79Å; L146-L178 HydrophobicContact CG-CD1 4.42Å; L146-V182 HydrophobicContact CD1-CG1 4.33Å; L146-V182 HydrophobicContact CD1-CG2 3.72Å; L146-V182 HydrophobicContact CD2-CG2 3.99Å; L146-V182 HydrophobicContact CG-CG2 3.62Å; L146-F222 HydrophobicContact CD1-CD1 4.32Å; L146-F222 HydrophobicContact CD1-CE1 3.34Å; L146-F222 HydrophobicContact CD1-CZ 3.48Å; L146-F222 VanDerWaalsContact CD1-CZ 3.48Å
147L76.6Confident78.9Confident45 Ų4535.9 Ų35.924%0.23620%0.2CC..Hα-helixtrans-62-40.4176.4-71.1169.7000112N143 A144 A150 L178 D181 V182N143-L147 PolarHBondContact O-N 2.63Å; A144-L147 PolarHBondContact O-N 2.94Å; L147-A150 WeakPolarHBondContact O-CB 3.29Å; L147-A150 PolarHBondContact O-N 2.73Å; L147-L178 HydrophobicContact CD1-CD1 3.94Å; L147-L178 HydrophobicContact CD2-CD1 3.99Å; L147-L178 HydrophobicContact CG-CD1 3.65Å; L147-D181 HydrophobicContact CD2-CB 3.5Å; L147-V182 HydrophobicContact CD2-CG2 3.83Å
148A84.2Confident78.6Confident24 Ų2439.8 Ų39.820%0.19823%0.228CC..Hα-helixtrans-63.7-45.6176.400000111.9L118 V122 A144 G145 L146 A150 D151L118-A148 HydrophobicContact CB-CB 4.46Å; V122-A148 VanDerWaalsContact CG2-O 3.22Å; V122-A148 WeakPolarHBondContact CG2-O 3.42Å; A144-A148 PolarHBondContact O-N 2.9Å; G145-A148 PolarHBondContact O-N 2.94Å; L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 3.21Å; A148-A150 VanDerWaalsContact C-N 3.26Å; A148-A150 PolarHBondContact O-N 3.26Å; A148-D151 VanDerWaalsContact O-CB 3.29Å; A148-D151 WeakPolarHBondContact O-CB 3.2Å; A148-D151 PolarHBondContact O-N 2.7Å; A148-D151 VanDerWaalsContact O-N 3.08Å
149L82.9Confident78.4Confident0 Ų039.3 Ų39.30%022%0.222CC..Hα-helixtrans-66.9-27.7178-67.1-177.6000112.7F110 L118 M121 V122 M125 L136 L141 G145 L146 D151 V152 L164 I166F110-L149 HydrophobicContact CZ-CD1 4.43Å; L118-L149 HydrophobicContact CD2-CD2 4.12Å; L118-L149 HydrophobicContact CD2-CG 4.19Å; M121-L149 HydrophobicContact SD-CD2 4.21Å; V122-L149 HydrophobicContact CG2-CD2 4.16Å; M125-L149 HydrophobicContact CE-CD2 3.42Å; M125-L149 VanDerWaalsContact CE-CD2 3.42Å; L136-L149 HydrophobicContact CD1-CD1 3.98Å; L141-L149 HydrophobicContact CD1-CD1 3.89Å; L141-L149 HydrophobicContact CD1-CG 4.31Å; L141-L149 HydrophobicContact CD2-CD1 3.56Å; L141-L149 HydrophobicContact CD2-CG 4.33Å; L141-L149 HydrophobicContact CG-CD1 4.4Å; G145-L149 WeakPolarHBondContact O-CG 3.44Å; G145-L149 PolarHBondContact O-N 3.39Å; L146-L149 PolarHBondContact O-N 3.49Å; L149-D151 PolarHBondContact O-N 3.49Å; L149-V152 WeakPolarHBondContact O-CB 3.45Å; L149-V152 WeakPolarHBondContact O-CG2 3.29Å; L149-V152 PolarHBondContact O-N 2.55Å; L149-L164 HydrophobicContact CB-CD2 3.98Å; L149-I166 HydrophobicContact CD1-CG2 3.88Å
150A76.2Confident78Confident1 Ų141.3 Ų41.31%0.00824%0.236CC..Hα-helixtrans-63.2-24.2173.400000112.6L146 L147 A148 V152 F153 V182 K185L146-A150 PolarHBondContact O-N 3.25Å; L147-A150 WeakPolarHBondContact O-CB 3.29Å; L147-A150 PolarHBondContact O-N 2.73Å; A148-A150 VanDerWaalsContact C-N 3.26Å; A148-A150 PolarHBondContact O-N 3.26Å; A150-V152 PolarHBondContact O-N 2.88Å; A150-F153 PolarHBondContact O-N 2.79Å; A150-V182 HydrophobicContact CB-CG1 4.12Å; A150-V182 HydrophobicContact CB-CG2 4.41Å; A150-K185 HydrophobicContact CB-CB 4.18Å; A150-K185 HydrophobicContact CB-CD 4.3Å
151D82.9Confident77.8Confident46 Ų4633 Ų3325%0.24621%0.205CC..G310 helixtrans-64.9-16.9175.7-74.7-37000113.4V122 K126 A148 L149 F153 S154 K185V122-D151 HydrophobicContact CG1-CB 4.19Å; K126-D151 WeakPolarHBondContact CE-O 3.3Å; K126-D151 PolarHBondContact NZ-O 3.46Å; A148-D151 VanDerWaalsContact O-CB 3.29Å; A148-D151 WeakPolarHBondContact O-CB 3.2Å; A148-D151 PolarHBondContact O-N 2.7Å; A148-D151 VanDerWaalsContact O-N 3.08Å; L149-D151 PolarHBondContact O-N 3.49Å; D151-F153 PolarHBondContact O-N 2.91Å; D151-F153 VanDerWaalsContact O-N 3.17Å; D151-S154 WeakPolarHBondContact O-CB 3.22Å; D151-S154 PolarHBondContact O-N 3.34Å; D151-S154 PolarHBondContact O-OG 2.85Å; D151-K185 VanDerWaalsContact CG-NZ 3.27Å; D151-K185 VanDerWaalsContact OD1-CD 3.31Å; D151-K185 WeakPolarHBondContact OD1-CD 3.23Å; D151-K185 WeakPolarHBondContact OD1-CE 3.3Å; D151-K185 IonicContact OD1-NZ 3.86Å; D151-K185 PolarHBondContact OD1-NZ 3.4Å; D151-K185 IonicContact OD2-NZ 3.03Å; D151-K185 PolarHBondContact OD2-NZ 2.83Å
152V82.4Confident77.4Confident0 Ų033.7 Ų33.70%021%0.211CC..G310 helixtrans-62.4-21.3171.8178.80000112V122 M125 L149 A150 S157 L161V122-V152 HydrophobicContact CB-CG2 4.39Å; V122-V152 HydrophobicContact CG1-CG2 4Å; V122-V152 HydrophobicContact CG2-CG2 4.32Å; M125-V152 HydrophobicContact CB-CG1 3.96Å; M125-V152 HydrophobicContact CB-CG2 3.87Å; M125-V152 HydrophobicContact CE-CG2 3.48Å; M125-V152 VanDerWaalsContact CE-CG2 3.48Å; M125-V152 HydrophobicContact SD-CG2 4.03Å; L149-V152 WeakPolarHBondContact O-CB 3.45Å; L149-V152 WeakPolarHBondContact O-CG2 3.29Å; L149-V152 PolarHBondContact O-N 2.55Å; A150-V152 PolarHBondContact O-N 2.88Å; V152-S157 WeakPolarHBondContact O-CB 3.27Å; V152-S157 PolarHBondContact O-OG 3.1Å; V152-L161 HydrophobicContact CG1-CB 4.35Å; V152-L161 HydrophobicContact CG1-CD2 3.91Å
153F74.6Confident77.2Confident2 Ų234.2 Ų34.21%0.00921%0.207CC..G310 helixtrans-103.913.6-179.1-56.9-71.2000113.8A150 D151 L161 L164 L189 L220A150-F153 PolarHBondContact O-N 2.79Å; D151-F153 PolarHBondContact O-N 2.91Å; D151-F153 VanDerWaalsContact O-N 3.17Å; F153-L161 HydrophobicContact CE1-CB 4.3Å; F153-L161 HydrophobicContact CE1-CD2 4.26Å; F153-L161 HydrophobicContact CE1-CG 4.27Å; F153-L161 WeakPolarHBondContact CE1-O 3.36Å; F153-L161 HydrophobicContact CZ-CD2 3.79Å; F153-L161 HydrophobicContact CZ-CG 4.14Å; F153-L164 HydrophobicContact CE2-CB 3.86Å; F153-L164 HydrophobicContact CE2-CD2 3.83Å; F153-L164 HydrophobicContact CE2-CG 4.49Å; F153-L164 HydrophobicContact CZ-CB 3.73Å; F153-L164 HydrophobicContact CZ-CD2 4.48Å; F153-L189 HydrophobicContact CB-CD1 3.98Å; F153-L189 HydrophobicContact CB-CD2 3.97Å; F153-L189 HydrophobicContact CB-CG 4.06Å; F153-L189 HydrophobicContact CD1-CD1 4.01Å; F153-L189 HydrophobicContact CD1-CD2 3.72Å; F153-L189 HydrophobicContact CD1-CG 4.4Å; F153-L189 HydrophobicContact CD2-CD1 4.46Å; F153-L189 HydrophobicContact CG-CD1 3.9Å; F153-L189 HydrophobicContact CG-CD2 4.14Å; F153-L189 HydrophobicContact CG-CG 4.39Å; F153-L220 HydrophobicContact CE2-CD1 4.01Å
154S75.5Confident77.4Confident18 Ų1833.2 Ų33.213%0.12620%0.201CC..SBendtrans-68.1162.9174.565.40000111.9K126 D151 D156 S157K126-S154 PolarHBondContact NZ-OG 3.29Å; D151-S154 WeakPolarHBondContact O-CB 3.22Å; D151-S154 PolarHBondContact O-N 3.34Å; D151-S154 PolarHBondContact O-OG 2.85Å; S154-D156 VanDerWaalsContact C-N 3.26Å; S154-D156 WeakPolarHBondContact CB-OD1 3.16Å; S154-D156 PolarHBondContact O-N 3.28Å; S154-D156 PolarHBondContact OG-OD1 3.22Å; S154-S157 WeakPolarHBondContact O-CB 3.45Å; S154-S157 PolarHBondContact O-N 2.77Å
155E68.9Low77.4Confident149 Ų14929.6 Ų29.670%0.69617%0.171SC*.THydrogen-bonded Turntrans-60-32.7-175.7-173.7171.1-156.300113.8S157 F188E155-S157 PolarHBondContact O-N 3.19Å; E155-F188 HydrophobicContact CB-CD1 4.06Å; E155-F188 HydrophobicContact CB-CD2 3.97Å; E155-F188 HydrophobicContact CB-CE1 3.96Å; E155-F188 HydrophobicContact CB-CE2 3.88Å; E155-F188 HydrophobicContact CB-CG 4.03Å; E155-F188 HydrophobicContact CB-CZ 3.85Å; E155-F188 VanDerWaalsContact CD-CE1 3.5Å; E155-F188 HydrophobicContact CG-CD1 4.2Å; E155-F188 HydrophobicContact CG-CE1 4.06Å; E155-F188 HydrophobicContact CG-CZ 4.36Å; E155-F188 WeakPolarHBondContact OE2-CE1 3.35Å; E155-F188 VanDerWaalsContact OE2-CZ 3.27Å; E155-F188 WeakPolarHBondContact OE2-CZ 3.5Å
156D71.5Confident77Confident118 Ų11829.6 Ų29.663%0.63117%0.17SC*.THydrogen-bonded Turntrans-77.9-1.3177.460.9-59.8000113.9K126 S154K126-D156 IonicContact NZ-OD1 3.4Å; K126-D156 IonicContact NZ-OD2 3.89Å; K126-D156 PolarHBondContact NZ-OD2 2.85Å; S154-D156 VanDerWaalsContact C-N 3.26Å; S154-D156 WeakPolarHBondContact CB-OD1 3.16Å; S154-D156 PolarHBondContact O-N 3.28Å; S154-D156 PolarHBondContact OG-OD1 3.22Å
157S70.6Confident76.7Confident18 Ų1829.5 Ų29.513%0.12617%0.17CC..  trans-82.3123.6-174.8-175.10000113V152 S154 E155 S159V152-S157 WeakPolarHBondContact O-CB 3.27Å; V152-S157 PolarHBondContact O-OG 3.1Å; S154-S157 WeakPolarHBondContact O-CB 3.45Å; S154-S157 PolarHBondContact O-N 2.77Å; E155-S157 PolarHBondContact O-N 3.19Å; S157-S159 VanDerWaalsContact C-N 3.25Å; S157-S159 PolarHBondContact O-N 3.45Å; S157-S159 VanDerWaalsContact OG-CB 3.29Å; S157-S159 WeakPolarHBondContact OG-CB 3.48Å; S157-S159 PolarHBondContact OG-N 2.79Å
158S77.9Confident76.2Confident91 Ų9132.8 Ų32.864%0.63618%0.18SC*.  trans-83.25.8168.250.50000114K126K126-S158 CarbonylContact O-C 3.37Å; K126-S158 PolarHBondContact O-OG 2.92Å
159S78.6Confident75.3Confident2 Ų231.9 Ų31.91%0.01417%0.172CC..  trans-63.5139.1-174.8-166.60000112M125 K126 S157 L161 R218M125-S159 VanDerWaalsContact O-CB 3.27Å; M125-S159 WeakPolarHBondContact O-CB 3.4Å; M125-S159 PolarHBondContact O-OG 3.32Å; K126-S159 PolarHBondContact O-N 3.43Å; S157-S159 VanDerWaalsContact C-N 3.25Å; S157-S159 PolarHBondContact O-N 3.45Å; S157-S159 VanDerWaalsContact OG-CB 3.29Å; S157-S159 WeakPolarHBondContact OG-CB 3.48Å; S157-S159 PolarHBondContact OG-N 2.79Å; S159-L161 VanDerWaalsContact OG-CB 3.29Å; S159-L161 WeakPolarHBondContact OG-CB 3.15Å; S159-L161 PolarHBondContact OG-N 3.31Å; S159-R218 PolarHBondContact O-NH2 3.23Å
160S81.2Confident74.4Confident42 Ų4232.7 Ų32.729%0.29418%0.175SC..  trans-84.44.3167.9-71.80000113.4N128 S129 L131 C162N128-S160 PolarHBondContact O-N 3.35Å; S129-S160 VanDerWaalsContact C-CB 3.49Å; S129-S160 WeakPolarHBondContact O-CB 3.34Å; S129-S160 PolarHBondContact O-OG 3.5Å; L131-S160 CarbonylContact O-C 3.32Å; S160-C162 PolarHBondContact O-N 3.29Å; S160-C162 VanDerWaalsContact O-N 3.17Å; S160-C162 PolarHBondContact O-SG 3.19Å; S160-C162 VanDerWaalsContact O-SG 3.42Å
161L78.9Confident73.5Confident0 Ų037 Ų370%020%0.201CC..  trans-62.7120.3-177.5-166.869000110.2M125 L131 L134 V152 F153 S159 Q163 L164M125-L161 HydrophobicContact SD-CD2 4.28Å; L131-L161 HydrophobicContact CD2-CD1 4.22Å; L131-L161 HydrophobicContact CG-CD1 4.07Å; L131-L161 WeakPolarHBondContact O-CA 3.33Å; L131-L161 PolarHBondContact O-N 3.06Å; L131-L161 VanDerWaalsContact O-N 3.11Å; L134-L161 HydrophobicContact CB-CD1 3.81Å; L134-L161 HydrophobicContact CB-CD2 4.44Å; V152-L161 HydrophobicContact CG1-CB 4.35Å; V152-L161 HydrophobicContact CG1-CD2 3.91Å; F153-L161 HydrophobicContact CE1-CB 4.3Å; F153-L161 HydrophobicContact CE1-CD2 4.26Å; F153-L161 HydrophobicContact CE1-CG 4.27Å; F153-L161 WeakPolarHBondContact CE1-O 3.36Å; F153-L161 HydrophobicContact CZ-CD2 3.79Å; F153-L161 HydrophobicContact CZ-CG 4.14Å; S159-L161 VanDerWaalsContact OG-CB 3.29Å; S159-L161 WeakPolarHBondContact OG-CB 3.15Å; S159-L161 PolarHBondContact OG-N 3.31Å; L161-Q163 WeakPolarHBondContact CD1-O 3.41Å; L161-L164 HydrophobicContact CD2-CB 4.21Å
162C73.8Confident72Confident25 Ų2537.8 Ų37.817%0.16921%0.209CC..  trans-111.2-16.6177.1-67.50000112.2K132 S160 R218 R219K132-C162 CarbonylContact O-C 3.56Å; K132-C162 WeakPolarHBondContact O-CA 3.46Å; K132-C162 PolarHBondContact O-N 2.92Å; S160-C162 PolarHBondContact O-N 3.29Å; S160-C162 VanDerWaalsContact O-N 3.17Å; S160-C162 PolarHBondContact O-SG 3.19Å; S160-C162 VanDerWaalsContact O-SG 3.42Å; C162-R218 HydrophobicContact CB-CG 4.27Å; C162-R218 CarbonylContact O-C 3.49Å; C162-R218 WeakPolarHBondContact O-CA 3.46Å; C162-R219 PolarHBondContact O-N 3.35Å
163Q73.6Confident70.8Confident33 Ų3346.9 Ų46.915%0.15425%0.248CC..EExtended strand (participates in β ladder)trans-136.8120.6179.6-173.1175.7-2.500109.7K132 G133 L134 L161 R219K132-Q163 PolarHBondContact O-N 2.88Å; G133-Q163 CarbonylContact C-O 3.55Å; G133-Q163 WeakPolarHBondContact CA-O 3.45Å; L134-Q163 PolarHBondContact N-O 2.91Å; L161-Q163 WeakPolarHBondContact CD1-O 3.41Å; Q163-R219 VanDerWaalsContact CA-O 3.29Å; Q163-R219 WeakPolarHBondContact CA-O 3.1Å
164L80.1Confident70Confident1 Ų151 Ų511%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-120.9121.7167.617664.3000109.1L134 L149 F153 L161 I166 R219 L220 V221L134-L164 HydrophobicContact CB-CD1 4.09Å; L134-L164 HydrophobicContact CD2-CD1 4.02Å; L134-L164 HydrophobicContact CG-CD1 4.05Å; L134-L164 CarbonylContact O-C 3.49Å; L134-L164 VanDerWaalsContact O-CA 3.25Å; L134-L164 WeakPolarHBondContact O-CA 3.34Å; L149-L164 HydrophobicContact CB-CD2 3.98Å; F153-L164 HydrophobicContact CE2-CB 3.86Å; F153-L164 HydrophobicContact CE2-CD2 3.83Å; F153-L164 HydrophobicContact CE2-CG 4.49Å; F153-L164 HydrophobicContact CZ-CB 3.73Å; F153-L164 HydrophobicContact CZ-CD2 4.48Å; L161-L164 HydrophobicContact CD2-CB 4.21Å; L164-I166 HydrophobicContact CD1-CG2 3.83Å; L164-I166 HydrophobicContact CD2-CG2 4.35Å; L164-I166 HydrophobicContact CG-CG2 3.99Å; L164-R219 PolarHBondContact N-O 3.48Å; L164-L220 HydrophobicContact CB-CD1 3.56Å; L164-L220 HydrophobicContact CD2-CD1 3.63Å; L164-L220 HydrophobicContact CG-CD1 3.69Å; L164-L220 CarbonylContact O-C 3.4Å; L164-L220 WeakPolarHBondContact O-CA 3.47Å; L164-V221 PolarHBondContact O-N 3.02Å
165D78.3Confident69.2Low4 Ų454.1 Ų54.12%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-114.1123.2171.5-174.9-8.6000108.8L134 R135 L136 S167 V221L134-D165 PolarHBondContact O-N 3.09Å; R135-D165 CarbonylContact C-O 3.48Å; R135-D165 WeakPolarHBondContact CA-O 3.29Å; R135-D165 HydrophobicContact CB-CB 4.04Å; R135-D165 HydrophobicContact CG-CB 3.78Å; L136-D165 PolarHBondContact N-O 2.87Å; D165-S167 WeakPolarHBondContact OD1-CB 3.47Å; D165-S167 PolarHBondContact OD1-N 3.03Å; D165-S167 PolarHBondContact OD1-OG 3.06Å; D165-V221 WeakPolarHBondContact CA-O 3.45Å; D165-V221 HydrophobicContact CB-CB 4.18Å
166I72.1Confident68.7Low1 Ų151.1 Ų51.11%0.00528%0.282CS..  trans-127.529.1173.964.6162.8000111.7L136 L141 L146 L149 L164 S169 V221 F222L136-I166 HydrophobicContact CB-CG2 4.27Å; L136-I166 HydrophobicContact CD1-CG2 4.37Å; L141-I166 HydrophobicContact CD2-CB 4.38Å; L141-I166 HydrophobicContact CD2-CD1 3.57Å; L141-I166 HydrophobicContact CD2-CG2 4.38Å; L146-I166 HydrophobicContact CB-CD1 3.87Å; L146-I166 HydrophobicContact CD1-CD1 3.31Å; L146-I166 HydrophobicContact CD1-CG1 4.48Å; L146-I166 HydrophobicContact CD2-CD1 4.4Å; L146-I166 HydrophobicContact CG-CD1 4.02Å; L149-I166 HydrophobicContact CD1-CG2 3.88Å; L164-I166 HydrophobicContact CD1-CG2 3.83Å; L164-I166 HydrophobicContact CD2-CG2 4.35Å; L164-I166 HydrophobicContact CG-CG2 3.99Å; I166-S169 VanDerWaalsContact O-CB 3.24Å; I166-S169 WeakPolarHBondContact O-CB 3.29Å; I166-S169 PolarHBondContact O-N 3.29Å; I166-S169 PolarHBondContact O-OG 3.17Å; I166-V221 PolarHBondContact N-O 3.35Å; I166-F222 HydrophobicContact CD1-CD1 3.73Å; I166-F222 HydrophobicContact CD1-CE1 3.37Å; I166-F222 HydrophobicContact CG1-CD1 3.28Å; I166-F222 HydrophobicContact CG1-CE1 3.28Å
167S70.3Confident68.4Low0 Ų047.2 Ų47.20%027%0.27CS..THydrogen-bonded Turntrans-46.2143.6178.9-65.60000112.6P137 G138 D165 S169 K223P137-S167 CarbonylContact C-O 3.36Å; P137-S167 WeakPolarHBondContact CA-O 3.22Å; G138-S167 PolarHBondContact N-O 2.84Å; D165-S167 WeakPolarHBondContact OD1-CB 3.47Å; D165-S167 PolarHBondContact OD1-N 3.03Å; D165-S167 PolarHBondContact OD1-OG 3.06Å; S167-S169 PolarHBondContact O-N 3.45Å; S167-S169 VanDerWaalsContact O-N 3.09Å; S167-K223 CarbonylContact C-O 3.52Å; S167-K223 WeakPolarHBondContact CA-O 3.27Å; S167-K223 WeakPolarHBondContact OG-CB 3.2Å; S167-K223 WeakPolarHBondContact OG-CG 3.35Å; S167-K223 PolarHBondContact OG-N 3.11Å
168W65.7Low68.1Low114 Ų11446.8 Ų46.843%0.43227%0.267SS..THydrogen-bonded Turntrans59.118.4179.3-45.9-76.4000115.7P137 G138 K223P137-W168 HydrophobicContact CB-CE3 3.48Å; P137-W168 VanDerWaalsContact CB-CE3 3.48Å; P137-W168 HydrophobicContact CB-CZ3 3.7Å; G138-W168 WeakPolarHBondContact CA-O 3.4Å; W168-K223 HydrophobicContact CH2-CD 3.93Å; W168-K223 HydrophobicContact CZ2-CB 4.22Å; W168-K223 HydrophobicContact CZ2-CD 3.96Å; W168-K223 PolarHBondContact N-O 3.08Å
169S65.1Low67.5Low5 Ų545.5 Ų45.54%0.03525%0.252CS..  trans-106.3-3.8179.8-63.60000115.6L136 G138 N139 R140 L141 G142 I166 S167L136-S169 PolarHBondContact O-OG 3.06Å; G138-S169 PolarHBondContact N-OG 3.2Å; G138-S169 VanDerWaalsContact N-OG 3.09Å; N139-S169 PolarHBondContact N-OG 2.7Å; R140-S169 CarbonylContact C-O 3.57Å; L141-S169 PolarHBondContact N-O 3.34Å; G142-S169 PolarHBondContact N-O 3.35Å; I166-S169 VanDerWaalsContact O-CB 3.24Å; I166-S169 WeakPolarHBondContact O-CB 3.29Å; I166-S169 PolarHBondContact O-N 3.29Å; I166-S169 PolarHBondContact O-OG 3.17Å; S167-S169 PolarHBondContact O-N 3.45Å; S167-S169 VanDerWaalsContact O-N 3.09Å
170Y64.9Low66.9Low17 Ų1748 Ų487%0.06727%0.27CS..SBendtrans-131.7159.7-177.382.1-103000114N143 L146 L178 F222 L224N143-Y170 WeakPolarHBondContact OD1-CB 3.4Å; N143-Y170 WeakPolarHBondContact OD1-CD2 3.48Å; L146-Y170 HydrophobicContact CD2-CD1 3.92Å; L146-Y170 HydrophobicContact CD2-CE1 3.99Å; L146-Y170 HydrophobicContact CD2-CG 4.27Å; Y170-L178 HydrophobicContact CD2-CD2 3.91Å; Y170-L178 HydrophobicContact CE2-CD2 3.97Å; Y170-F222 HydrophobicContact CE1-CB 4.36Å; Y170-F222 HydrophobicContact CE1-CD1 4.44Å; Y170-L224 HydrophobicContact CD2-CD2 4.48Å; Y170-L224 HydrophobicContact CE1-CD2 4.32Å; Y170-L224 HydrophobicContact CE2-CD2 3.76Å
171T55.7Low66.3Low90 Ų9049.8 Ų49.855%0.55228%0.276SS*.  trans-107.6150.2-168.749.50000114.5N143 K173N143-T171 PolarHBondContact ND2-O 3.19Å; N143-T171 PolarHBondContact OD1-N 2.61Å; N143-T171 PolarHBondContact OD1-O 3.42Å; T171-K173 PolarHBondContact O-N 3.2Å
172P52.8Low65.8Low63 Ų6349.8 Ų49.841%0.40928%0.276SS..G310 helixtrans-81.52-153.4-18.634.8000119.1
173K56.7Low65.4Low191 Ų19150 Ų5083%0.8328%0.28SS*.G310 helixtrans-61.9-51.1-173-69.6-171.3-179.1-177.40112.7T171 K175T171-K173 PolarHBondContact O-N 3.2Å; K173-K175 PolarHBondContact O-N 2.9Å
174D57Low65.2Low89 Ų8953.1 Ų53.148%0.47630%0.298SS..G310 helixtrans-101.420.5-155.7-41.1-51.3000113.3N143 A176 G177 L178N143-D174 PolarHBondContact ND2-OD2 3.35Å; D174-A176 VanDerWaalsContact C-N 3.31Å; D174-A176 PolarHBondContact O-N 2.78Å; D174-G177 PolarHBondContact O-N 2.73Å; D174-L178 WeakPolarHBondContact O-CB 3.08Å; D174-L178 PolarHBondContact O-N 3.19Å
175K59Low64.6Low83 Ų8356.8 Ų56.836%0.36131%0.314SS..Hα-helixtrans-47.8-44.4-159.9-80-177.9-179172.90114.7K173 L179 L224K173-K175 PolarHBondContact O-N 2.9Å; K175-L179 WeakPolarHBondContact O-CB 3.45Å; K175-L179 WeakPolarHBondContact O-CD1 3.45Å; K175-L179 WeakPolarHBondContact O-CG 2.85Å; K175-L179 PolarHBondContact O-N 2.97Å; K175-L224 HydrophobicContact CD-CD1 4.1Å
176A59.8Low63.8Low86 Ų8656.9 Ų56.971%0.71132%0.315SS*.Hα-helixtrans-70.8-48.2-174.700000113D174 S180D174-A176 VanDerWaalsContact C-N 3.31Å; D174-A176 PolarHBondContact O-N 2.78Å; A176-S180 PolarHBondContact O-N 2.91Å; A176-S180 PolarHBondContact O-OG 3.22Å
177G64.4Low63.3Low37 Ų3765 Ų6538%0.38135%0.345SS..Hα-helixtrans-70.1-39.4-179.900000112.6D174 L179 S180 D181D174-G177 PolarHBondContact O-N 2.73Å; G177-L179 PolarHBondContact O-N 3.06Å; G177-S180 WeakPolarHBondContact CA-OG 3.45Å; G177-S180 PolarHBondContact O-N 3.27Å; G177-S180 PolarHBondContact O-OG 3.49Å; G177-D181 VanDerWaalsContact O-CG 3.24Å; G177-D181 PolarHBondContact O-N 2.66Å
178L65.1Low62.6Low9 Ų969.2 Ų69.25%0.04736%0.364CS..Hα-helixtrans-62.3-42.2178-176.861.1000112.2N143 L146 L147 Y170 D174 D181 V182N143-L178 HydrophobicContact CB-CD1 4.1Å; N143-L178 HydrophobicContact CB-CD2 3.71Å; N143-L178 VanDerWaalsContact CG-CD2 3.43Å; N143-L178 WeakPolarHBondContact OD1-CD2 3.42Å; L146-L178 HydrophobicContact CD2-CD1 4.12Å; L146-L178 HydrophobicContact CD2-CD2 3.73Å; L146-L178 HydrophobicContact CD2-CG 3.79Å; L146-L178 HydrophobicContact CG-CD1 4.42Å; L147-L178 HydrophobicContact CD1-CD1 3.94Å; L147-L178 HydrophobicContact CD2-CD1 3.99Å; L147-L178 HydrophobicContact CG-CD1 3.65Å; Y170-L178 HydrophobicContact CD2-CD2 3.91Å; Y170-L178 HydrophobicContact CE2-CD2 3.97Å; D174-L178 WeakPolarHBondContact O-CB 3.08Å; D174-L178 PolarHBondContact O-N 3.19Å; L178-D181 PolarHBondContact O-N 3.02Å; L178-V182 WeakPolarHBondContact O-CB 3.42Å; L178-V182 VanDerWaalsContact O-CG2 3.23Å; L178-V182 WeakPolarHBondContact O-CG2 3.43Å; L178-V182 PolarHBondContact O-N 3.37Å
179L64.8Low62Low63 Ų6364 Ų6433%0.3335%0.345SS..Hα-helixtrans-68.8-37.1178.2-71.6173.2000112.1K175 G177 D181 A183K175-L179 WeakPolarHBondContact O-CB 3.45Å; K175-L179 WeakPolarHBondContact O-CD1 3.45Å; K175-L179 WeakPolarHBondContact O-CG 2.85Å; K175-L179 PolarHBondContact O-N 2.97Å; G177-L179 PolarHBondContact O-N 3.06Å; L179-D181 VanDerWaalsContact C-N 3.35Å; L179-A183 WeakPolarHBondContact O-CB 3.23Å; L179-A183 PolarHBondContact O-N 3.38Å
180S65.8Low60.8Low56 Ų5667.9 Ų67.939%0.39237%0.369SS..Hα-helixtrans-65-40.2174.852.90000111.9A176 G177 A183 N184A176-S180 PolarHBondContact O-N 2.91Å; A176-S180 PolarHBondContact O-OG 3.22Å; G177-S180 WeakPolarHBondContact CA-OG 3.45Å; G177-S180 PolarHBondContact O-N 3.27Å; G177-S180 PolarHBondContact O-OG 3.49Å; S180-A183 PolarHBondContact O-N 3.22Å; S180-N184 WeakPolarHBondContact O-CB 3.18Å; S180-N184 PolarHBondContact O-N 3.23Å; S180-N184 PolarHBondContact O-ND2 3.27Å
181D68.1Low59.5Low78 Ų7878.6 Ų78.642%0.41741%0.409SS..Hα-helixtrans-69.1-42.2-180-68.7-16.7000111.9L147 G177 L178 L179 N184 K185L147-D181 HydrophobicContact CD2-CB 3.5Å; G177-D181 VanDerWaalsContact O-CG 3.24Å; G177-D181 PolarHBondContact O-N 2.66Å; L178-D181 PolarHBondContact O-N 3.02Å; L179-D181 VanDerWaalsContact C-N 3.35Å; D181-N184 PolarHBondContact O-N 2.58Å; D181-K185 PolarHBondContact O-N 2.5Å
182V68.2Low58.8Low0 Ų076.1 Ų76.10%039%0.392CS..Hα-helixtrans-62-45.3172.5171.10000110.8L146 L147 A150 L178 N184 K185 A186 L220 F222L146-V182 HydrophobicContact CD1-CG1 4.33Å; L146-V182 HydrophobicContact CD1-CG2 3.72Å; L146-V182 HydrophobicContact CD2-CG2 3.99Å; L146-V182 HydrophobicContact CG-CG2 3.62Å; L147-V182 HydrophobicContact CD2-CG2 3.83Å; A150-V182 HydrophobicContact CB-CG1 4.12Å; A150-V182 HydrophobicContact CB-CG2 4.41Å; L178-V182 WeakPolarHBondContact O-CB 3.42Å; L178-V182 VanDerWaalsContact O-CG2 3.23Å; L178-V182 WeakPolarHBondContact O-CG2 3.43Å; L178-V182 PolarHBondContact O-N 3.37Å; V182-N184 VanDerWaalsContact C-N 3.31Å; V182-N184 PolarHBondContact O-N 3.42Å; V182-K185 PolarHBondContact O-N 2.71Å; V182-A186 VanDerWaalsContact O-CB 3.23Å; V182-A186 WeakPolarHBondContact O-CB 3.26Å; V182-A186 PolarHBondContact O-N 3.41Å; V182-L220 HydrophobicContact CG1-CD2 3.79Å; V182-F222 HydrophobicContact CG1-CE2 4.13Å; V182-F222 HydrophobicContact CG1-CZ 3.94Å
183A66.1Low58.1Low31 Ų3177.8 Ų77.826%0.25640%0.403SS..Hα-helixtrans-63.5-37.5178.300000111.9L179 S180 A186 R187 L195L179-A183 WeakPolarHBondContact O-CB 3.23Å; L179-A183 PolarHBondContact O-N 3.38Å; S180-A183 PolarHBondContact O-N 3.22Å; A183-A186 CarbonylContact O-C 3.44Å; A183-A186 PolarHBondContact O-N 3Å; A183-R187 WeakPolarHBondContact O-CA 3.43Å; A183-R187 PolarHBondContact O-N 3.03Å; A183-L195 HydrophobicContact CB-CD1 4Å
184N69.2Low57.2Low98 Ų9873.3 Ų73.352%0.52439%0.385SS..Hα-helixtrans-65.5-42.3175.4-77.5-30000112.1S180 D181 V182 R187S180-N184 WeakPolarHBondContact O-CB 3.18Å; S180-N184 PolarHBondContact O-N 3.23Å; S180-N184 PolarHBondContact O-ND2 3.27Å; D181-N184 PolarHBondContact O-N 2.58Å; V182-N184 VanDerWaalsContact C-N 3.31Å; V182-N184 PolarHBondContact O-N 3.42Å; N184-R187 WeakPolarHBondContact O-CB 3.31Å; N184-R187 WeakPolarHBondContact O-CD 3.48Å; N184-R187 WeakPolarHBondContact O-CG 3.17Å; N184-R187 PolarHBondContact O-N 3.39Å
185K67.3Low56.4Low78 Ų7872.7 Ų72.734%0.33938%0.382SS..Hα-helixtrans-66.7-39.6174.5-77.9176.5176-79.20111.9A150 D151 D181 V182 R187A150-K185 HydrophobicContact CB-CB 4.18Å; A150-K185 HydrophobicContact CB-CD 4.3Å; D151-K185 VanDerWaalsContact CG-NZ 3.27Å; D151-K185 VanDerWaalsContact OD1-CD 3.31Å; D151-K185 WeakPolarHBondContact OD1-CD 3.23Å; D151-K185 WeakPolarHBondContact OD1-CE 3.3Å; D151-K185 IonicContact OD1-NZ 3.86Å; D151-K185 PolarHBondContact OD1-NZ 3.4Å; D151-K185 IonicContact OD2-NZ 3.03Å; D151-K185 PolarHBondContact OD2-NZ 2.83Å; D181-K185 PolarHBondContact O-N 2.5Å; V182-K185 PolarHBondContact O-N 2.71Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 3.29Å
186A61.9Low55Low5 Ų574.4 Ų74.44%0.04140%0.399CS..G310 helixtrans-84.89.1179.700000114V182 A183 F188 L189V182-A186 VanDerWaalsContact O-CB 3.23Å; V182-A186 WeakPolarHBondContact O-CB 3.26Å; V182-A186 PolarHBondContact O-N 3.41Å; A183-A186 CarbonylContact O-C 3.44Å; A183-A186 PolarHBondContact O-N 3Å; A186-F188 PolarHBondContact O-N 3.15Å; A186-F188 VanDerWaalsContact O-N 3.11Å; A186-L189 HydrophobicContact CB-CD1 3.91Å; A186-L189 HydrophobicContact CB-CG 4.4Å; A186-L189 VanDerWaalsContact O-CB 3.26Å; A186-L189 WeakPolarHBondContact O-CB 3.1Å; A186-L189 VanDerWaalsContact O-CG 3.3Å; A186-L189 WeakPolarHBondContact O-CG 3.4Å; A186-L189 PolarHBondContact O-N 3.14Å
187R61.5Low53.7Low173 Ų17376.7 Ų76.765%0.65339%0.393SS*.G310 helixtrans-63.6-19.4-173.972.9-174.8178.5-178.9-1114.6A183 N184 K185 L189A183-R187 WeakPolarHBondContact O-CA 3.43Å; A183-R187 PolarHBondContact O-N 3.03Å; N184-R187 WeakPolarHBondContact O-CB 3.31Å; N184-R187 WeakPolarHBondContact O-CD 3.48Å; N184-R187 WeakPolarHBondContact O-CG 3.17Å; N184-R187 PolarHBondContact O-N 3.39Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 3.29Å; R187-L189 VanDerWaalsContact C-N 3.29Å
188F56.1Low52.1Low87 Ų8778.4 Ų78.438%0.38240%0.398SS..G310 helixtrans-84.4-6.2178.7-58.5-79.5000112.8E155 A186E155-F188 HydrophobicContact CB-CD1 4.06Å; E155-F188 HydrophobicContact CB-CD2 3.97Å; E155-F188 HydrophobicContact CB-CE1 3.96Å; E155-F188 HydrophobicContact CB-CE2 3.88Å; E155-F188 HydrophobicContact CB-CG 4.03Å; E155-F188 HydrophobicContact CB-CZ 3.85Å; E155-F188 VanDerWaalsContact CD-CE1 3.5Å; E155-F188 HydrophobicContact CG-CD1 4.2Å; E155-F188 HydrophobicContact CG-CE1 4.06Å; E155-F188 HydrophobicContact CG-CZ 4.36Å; E155-F188 WeakPolarHBondContact OE2-CE1 3.35Å; E155-F188 VanDerWaalsContact OE2-CZ 3.27Å; E155-F188 WeakPolarHBondContact OE2-CZ 3.5Å; A186-F188 PolarHBondContact O-N 3.15Å; A186-F188 VanDerWaalsContact O-N 3.11Å
189L51.7Low50.3Low6 Ų683.8 Ų83.83%0.03143%0.432CS..SBendtrans-68.6138.7165.3-59.5-178.3000108.5F153 A186 R187 R191 M192 R218F153-L189 HydrophobicContact CB-CD1 3.98Å; F153-L189 HydrophobicContact CB-CD2 3.97Å; F153-L189 HydrophobicContact CB-CG 4.06Å; F153-L189 HydrophobicContact CD1-CD1 4.01Å; F153-L189 HydrophobicContact CD1-CD2 3.72Å; F153-L189 HydrophobicContact CD1-CG 4.4Å; F153-L189 HydrophobicContact CD2-CD1 4.46Å; F153-L189 HydrophobicContact CG-CD1 3.9Å; F153-L189 HydrophobicContact CG-CD2 4.14Å; F153-L189 HydrophobicContact CG-CG 4.39Å; A186-L189 HydrophobicContact CB-CD1 3.91Å; A186-L189 HydrophobicContact CB-CG 4.4Å; A186-L189 VanDerWaalsContact O-CB 3.26Å; A186-L189 WeakPolarHBondContact O-CB 3.1Å; A186-L189 VanDerWaalsContact O-CG 3.3Å; A186-L189 WeakPolarHBondContact O-CG 3.4Å; A186-L189 PolarHBondContact O-N 3.14Å; R187-L189 VanDerWaalsContact C-N 3.29Å; L189-R191 PolarHBondContact O-N 3.02Å; L189-M192 HydrophobicContact CB-CE 4.28Å; L189-M192 HydrophobicContact CD1-CE 3.25Å; L189-M192 HydrophobicContact CD1-SD 4.48Å; L189-M192 HydrophobicContact CG-CE 4.38Å; L189-R218 HydrophobicContact CD2-CB 3.66Å; L189-R218 HydrophobicContact CD2-CG 4.09Å
190P41.8Very low48.4Very low85 Ų8589.9 Ų89.955%0.55246%0.456SS*.SBendtrans-50.8123.8175.219-29.4000108.6M192P190-M192 PolarHBondContact O-N 3.25Å
191R37.3Very low46.6Very low242 Ų24292 Ų9291%0.91346%0.462SS*.  trans-24.4109.1-170.9-87.7-178161.5173.3-4111.4L189 P193L189-R191 PolarHBondContact O-N 3.02Å; R191-P193 WeakPolarHBondContact O-CD 3.16Å
192M40.5Very low44.5Very low38 Ų3897.6 Ų97.619%0.18748%0.483CS..  trans-72108.8178.1-71.3-174.815800110.8L189 P190 E194 L195 L220L189-M192 HydrophobicContact CB-CE 4.28Å; L189-M192 HydrophobicContact CD1-CE 3.25Å; L189-M192 HydrophobicContact CD1-SD 4.48Å; L189-M192 HydrophobicContact CG-CE 4.38Å; P190-M192 PolarHBondContact O-N 3.25Å; M192-E194 PolarHBondContact O-N 3.32Å; M192-L195 HydrophobicContact CB-CD1 4.19Å; M192-L195 HydrophobicContact CB-CG 4.39Å; M192-L195 HydrophobicContact SD-CD1 3.79Å; M192-L195 HydrophobicContact SD-CG 3.92Å; M192-L220 HydrophobicContact CE-CB 3.57Å
193P37.1Very low42.4Very low99 Ų99105.2 Ų105.264%0.64351%0.512SS*.THydrogen-bonded Turntrans-72.9-5.6166.729.8-34.2000113.1R191R191-P193 WeakPolarHBondContact O-CD 3.16Å
194E39.3Very low40.5Very low96 Ų96107 Ų10745%0.44952%0.523SS..THydrogen-bonded Turntrans-105.7-6.1-168.7-69.2-70.7141.500115.2M192 T196 K197M192-E194 PolarHBondContact O-N 3.32Å; E194-T196 PolarHBondContact O-N 3.06Å; E194-T196 VanDerWaalsContact O-N 3.14Å; E194-K197 PolarHBondContact O-N 3.2Å; E194-K197 VanDerWaalsContact O-N 3.15Å; E194-K197 WeakPolarHBondContact OE1-CD 2.97Å; E194-K197 IonicContact OE1-NZ 2.82Å; E194-K197 PolarHBondContact OE1-NZ 3.01Å; E194-K197 WeakPolarHBondContact OE2-CB 3.41Å; E194-K197 WeakPolarHBondContact OE2-CD 3.42Å
195L38.4Very low38.5Very low77 Ų77108.5 Ų108.540%0.40354%0.541SS..THydrogen-bonded Turntrans-57.4-26.9168-92.6161.9000111.1A183 M192A183-L195 HydrophobicContact CB-CD1 4Å; M192-L195 HydrophobicContact CB-CD1 4.19Å; M192-L195 HydrophobicContact CB-CG 4.39Å; M192-L195 HydrophobicContact SD-CD1 3.79Å; M192-L195 HydrophobicContact SD-CG 3.92Å
196T31.1Very low36.7Very low118 Ų118115.5 Ų115.572%0.72457%0.566SS**THydrogen-bonded Turntrans-91.1-7.5-178.3-17.10000114.4E194E194-T196 PolarHBondContact O-N 3.06Å; E194-T196 VanDerWaalsContact O-N 3.14Å
197K31.3Very low35.1Very low134 Ų134119.1 Ų119.158%0.58359%0.59SS**THydrogen-bonded Turntrans-108.2-6.6-174.8-89.6173.7-178.5175.60115.6E194 T199 K200E194-K197 PolarHBondContact O-N 3.2Å; E194-K197 VanDerWaalsContact O-N 3.15Å; E194-K197 WeakPolarHBondContact OE1-CD 2.97Å; E194-K197 IonicContact OE1-NZ 2.82Å; E194-K197 PolarHBondContact OE1-NZ 3.01Å; E194-K197 WeakPolarHBondContact OE2-CB 3.41Å; E194-K197 WeakPolarHBondContact OE2-CD 3.42Å; K197-T199 PolarHBondContact O-N 3.43Å; K197-K200 PolarHBondContact O-N 3.29Å
198C31.9Very low33.3Very low73 Ų73120 Ų12049%0.49360%0.599SS.*THydrogen-bonded Turntrans-75.322.6172.5-730000114.2
199T26.7Very low32.2Very low123 Ų123122.7 Ų122.776%0.75561%0.607SS**THydrogen-bonded Turntrans-96.5-3.8166.639.70000113.8K197 L201K197-T199 PolarHBondContact O-N 3.43Å; T199-L201 PolarHBondContact O-N 3.25Å
200K25.7Very low30.9Very low191 Ų191130.7 Ų130.783%0.8365%0.646SS**  trans-89.490167.8-83.8-174.7178.1178.30111.1K197 K202K197-K200 PolarHBondContact O-N 3.29Å; K200-K202 PolarHBondContact O-N 3.42Å
201L26.5Very low30Very low101 Ų101129.2 Ų129.253%0.52965%0.647SS.*  trans-44.898.9158.3-76.4156.3000110.1T199 Y203T199-L201 PolarHBondContact O-N 3.25Å; L201-Y203 HydrophobicContact CD2-CD2 4.33Å; L201-Y203 HydrophobicContact CD2-CE2 4.07Å
202K24Very low29.6Very low195 Ų195123.3 Ų123.385%0.84864%0.637SS**  trans-92.694.7156.1-89.6-171.7175.9-178.60107.7K200 S204K200-K202 PolarHBondContact O-N 3.42Å; K202-S204 PolarHBondContact O-N 3.01Å
203Y25.3Very low29.2Very low159 Ų159124.1 Ų124.162%0.62465%0.646SS**  trans-68.6116.4155.5-94.7-97.5000107.2L201L201-Y203 HydrophobicContact CD2-CD2 4.33Å; L201-Y203 HydrophobicContact CD2-CE2 4.07Å
204S25.5Very low29.1Very low69 Ų69126.5 Ų126.548%0.48365%0.648SS.*  trans-141.6115.6157.2179.30000107.9K202 R206 S207K202-S204 PolarHBondContact O-N 3.01Å; S204-R206 WeakPolarHBondContact CB-O 3.18Å; S204-R206 CarbonylContact O-C 3.53Å; S204-R206 PolarHBondContact O-N 2.76Å; S204-R206 PolarHBondContact OG-N 3.38Å; S204-R206 PolarHBondContact OG-O 2.89Å; S204-S207 PolarHBondContact O-OG 3.38Å; S204-S207 VanDerWaalsContact O-OG 3.06Å
205S26.6Very low29Very low130 Ų130126.5 Ų126.591%0.90965%0.649SS**SBendtrans-63.25176.2-420000113.5
206R29.7Very low29.1Very low225 Ų225128 Ų12885%0.84967%0.666SS**  trans-140.8112.1160.8-68.1-177.7-173.3-173.80.7107.1S204S204-R206 WeakPolarHBondContact CB-O 3.18Å; S204-R206 CarbonylContact O-C 3.53Å; S204-R206 PolarHBondContact O-N 2.76Å; S204-R206 PolarHBondContact OG-N 3.38Å; S204-R206 PolarHBondContact OG-O 2.89Å
207S28.3Very low30Very low80 Ų80124.7 Ų124.756%0.55965%0.646SS**  trans-12578.1173-60.30000108.7S204 W209S204-S207 PolarHBondContact O-OG 3.38Å; S204-S207 VanDerWaalsContact O-OG 3.06Å; S207-W209 PolarHBondContact O-N 3.3Å
208F24.8Very low30.9Very low191 Ų191121.7 Ų121.784%0.83863%0.631SS**  trans-55.5123154.9-136.2-102.3000106.8M210F208-M210 HydrophobicContact CD1-CG 4.23Å; F208-M210 PolarHBondContact O-N 3.44Å
209W31.9Very low32.2Very low144 Ų144121.7 Ų121.755%0.54562%0.621SS.*  trans-70.284.5171.3-76.889000108.5S207S207-W209 PolarHBondContact O-N 3.3Å
210M24.5Very low33.6Very low174 Ų174116.8 Ų116.886%0.85759%0.589SS**  trans-92.4106.1161.3-81.1-156.9-60.900108.7F208F208-M210 HydrophobicContact CD1-CG 4.23Å; F208-M210 PolarHBondContact O-N 3.44Å
211G24.3Very low35.2Very low55 Ų55109.1 Ų109.157%0.56756%0.558SS**  trans143.691.9172.400000111.4P213G211-P213 WeakPolarHBondContact O-CD 3.35Å
212V27.6Very low36.7Very low117 Ų117105 Ų10571%0.70954%0.537SS*.  trans-70.3116.7169.5-179.20000107.7E214V212-E214 PolarHBondContact O-N 2.86Å; V212-E214 VanDerWaalsContact O-N 3.1Å
213P33.5Very low38Very low56 Ų5699.9 Ų99.936%0.36451%0.514SS..  trans-93.866.6-162.437.2-36.4000112.2G211 R219G211-P213 WeakPolarHBondContact O-CD 3.35Å; P213-R219 PolarHBondContact O-NE 2.88Å; P213-R219 PolarHBondContact O-NH2 3.18Å
214E33.4Very low38.9Very low148 Ų14894.9 Ų94.969%0.69250%0.498SS*.  trans30.1101.9178.2-157.4177.8-158.100114.3V212 S216 T217 R219V212-E214 PolarHBondContact O-N 2.86Å; V212-E214 VanDerWaalsContact O-N 3.1Å; E214-S216 PolarHBondContact O-N 3.06Å; E214-T217 PolarHBondContact O-N 3.06Å; E214-R219 PolarHBondContact O-NH2 3.02Å
215M38.8Very low39.5Very low97 Ų9794.4 Ų94.448%0.47850%0.495SS..THydrogen-bonded Turntrans-58.3-1.3-168.6-74.9-173.7174.900116.8K132K132-M215 HydrophobicContact CD-SD 4.09Å
216S39.9Very low40Very low107 Ų10795.9 Ų95.975%0.74848%0.48SS*.THydrogen-bonded Turntrans-81.7-24.8-177.5163.90000113.9E214E214-S216 PolarHBondContact O-N 3.06Å
217T49.3Very low40.2Very low49 Ų4992.9 Ų92.930%0.30150%0.504SS..SBendtrans-102.2133.3-174.9-34.10000111.8E214 R219E214-T217 PolarHBondContact O-N 3.06Å; T217-R219 VanDerWaalsContact CB-NH1 3.33Å; T217-R219 VanDerWaalsContact CB-NH2 3.35Å; T217-R219 WeakPolarHBondContact O-CG 3.34Å; T217-R219 PolarHBondContact OG1-NH1 3.44Å; T217-R219 PolarHBondContact OG1-NH2 2.96Å
218R51.3Low40.8Very low72 Ų7293.5 Ų93.527%0.27250%0.501SS..  trans-75.1130166.2-60.1-167.8174.4-167.6-3.6110.2S159 C162 L189S159-R218 PolarHBondContact O-NH2 3.23Å; C162-R218 HydrophobicContact CB-CG 4.27Å; C162-R218 CarbonylContact O-C 3.49Å; C162-R218 WeakPolarHBondContact O-CA 3.46Å; L189-R218 HydrophobicContact CD2-CB 3.66Å; L189-R218 HydrophobicContact CD2-CG 4.09Å
219R59Low41.7Very low73 Ų7388.4 Ų88.428%0.27548%0.483SS..EExtended strand (participates in β ladder)trans-137.9138.5-170.5-44.2-177.9-167.2-72.2-2.9108.1C162 Q163 L164 P213 E214 T217C162-R219 PolarHBondContact O-N 3.35Å; Q163-R219 VanDerWaalsContact CA-O 3.29Å; Q163-R219 WeakPolarHBondContact CA-O 3.1Å; L164-R219 PolarHBondContact N-O 3.48Å; P213-R219 PolarHBondContact O-NE 2.88Å; P213-R219 PolarHBondContact O-NH2 3.18Å; E214-R219 PolarHBondContact O-NH2 3.02Å; T217-R219 VanDerWaalsContact CB-NH1 3.33Å; T217-R219 VanDerWaalsContact CB-NH2 3.35Å; T217-R219 WeakPolarHBondContact O-CG 3.34Å; T217-R219 PolarHBondContact OG1-NH1 3.44Å; T217-R219 PolarHBondContact OG1-NH2 2.96Å
220L55.1Low42.2Very low19 Ų1985.3 Ų85.310%0.09948%0.479CS..EExtended strand (participates in β ladder)trans-126.1122.6175.8179.762.8000106.9F153 L164 V182 M192 F222F153-L220 HydrophobicContact CE2-CD1 4.01Å; L164-L220 HydrophobicContact CB-CD1 3.56Å; L164-L220 HydrophobicContact CD2-CD1 3.63Å; L164-L220 HydrophobicContact CG-CD1 3.69Å; L164-L220 CarbonylContact O-C 3.4Å; L164-L220 WeakPolarHBondContact O-CA 3.47Å; V182-L220 HydrophobicContact CG1-CD2 3.79Å; M192-L220 HydrophobicContact CE-CB 3.57Å; L220-F222 HydrophobicContact CD1-CE1 3.95Å; L220-F222 HydrophobicContact CD1-CE2 4.31Å; L220-F222 HydrophobicContact CD1-CZ 3.61Å; L220-F222 HydrophobicContact CD2-CE1 4.46Å; L220-F222 HydrophobicContact CD2-CE2 3.64Å; L220-F222 HydrophobicContact CD2-CZ 3.38Å; L220-F222 HydrophobicContact CG-CD2 4.44Å; L220-F222 HydrophobicContact CG-CE1 4.02Å; L220-F222 HydrophobicContact CG-CE2 3.49Å; L220-F222 VanDerWaalsContact CG-CE2 3.49Å; L220-F222 HydrophobicContact CG-CZ 3.26Å
221V59.1Low43.3Very low30 Ų3080.1 Ų80.118%0.18246%0.457CS..EExtended strand (participates in β ladder)trans-116.3129.6-168.9-177.80000110.1L164 D165 I166L164-V221 PolarHBondContact O-N 3.02Å; D165-V221 WeakPolarHBondContact CA-O 3.45Å; D165-V221 HydrophobicContact CB-CB 4.18Å; I166-V221 PolarHBondContact N-O 3.35Å
222F58.3Low44.4Very low16 Ų1681.6 Ų81.67%0.0745%0.45CS..  trans-133.7118.8173.8-49.8-69000109.9L146 I166 Y170 V182 L220L146-F222 HydrophobicContact CD1-CD1 4.32Å; L146-F222 HydrophobicContact CD1-CE1 3.34Å; L146-F222 HydrophobicContact CD1-CZ 3.48Å; L146-F222 VanDerWaalsContact CD1-CZ 3.48Å; I166-F222 HydrophobicContact CD1-CD1 3.73Å; I166-F222 HydrophobicContact CD1-CE1 3.37Å; I166-F222 HydrophobicContact CG1-CD1 3.28Å; I166-F222 HydrophobicContact CG1-CE1 3.28Å; Y170-F222 HydrophobicContact CE1-CB 4.36Å; Y170-F222 HydrophobicContact CE1-CD1 4.44Å; V182-F222 HydrophobicContact CG1-CE2 4.13Å; V182-F222 HydrophobicContact CG1-CZ 3.94Å; L220-F222 HydrophobicContact CD1-CE1 3.95Å; L220-F222 HydrophobicContact CD1-CE2 4.31Å; L220-F222 HydrophobicContact CD1-CZ 3.61Å; L220-F222 HydrophobicContact CD2-CE1 4.46Å; L220-F222 HydrophobicContact CD2-CE2 3.64Å; L220-F222 HydrophobicContact CD2-CZ 3.38Å; L220-F222 HydrophobicContact CG-CD2 4.44Å; L220-F222 HydrophobicContact CG-CE1 4.02Å; L220-F222 HydrophobicContact CG-CE2 3.49Å; L220-F222 VanDerWaalsContact CG-CE2 3.49Å; L220-F222 HydrophobicContact CG-CZ 3.26Å
223K52.9Low45.6Very low86 Ų8679.3 Ų79.337%0.37443%0.433SS..  trans-106.5130.5163-59.2174.1179.31710109.1S167 W168S167-K223 CarbonylContact C-O 3.52Å; S167-K223 WeakPolarHBondContact CA-O 3.27Å; S167-K223 WeakPolarHBondContact OG-CB 3.2Å; S167-K223 WeakPolarHBondContact OG-CG 3.35Å; S167-K223 PolarHBondContact OG-N 3.11Å; W168-K223 HydrophobicContact CH2-CD 3.93Å; W168-K223 HydrophobicContact CZ2-CB 4.22Å; W168-K223 HydrophobicContact CZ2-CD 3.96Å; W168-K223 PolarHBondContact N-O 3.08Å
224L43.5Very low46.4Very low55 Ų5580.9 Ų80.929%0.28844%0.438SS..PPolyproline II helixtrans-85.5151.8174.3-78.7157.9000110.4Y170 K175Y170-L224 HydrophobicContact CD2-CD2 4.48Å; Y170-L224 HydrophobicContact CE1-CD2 4.32Å; Y170-L224 HydrophobicContact CE2-CD2 3.76Å; K175-L224 HydrophobicContact CD-CD1 4.1Å
225S37.9Very low47.4Very low59 Ų5975.8 Ų75.841%0.41342%0.419SS..PPolyproline II helixtrans-65.8161.4153.754.10000110.2
226R36.6Very low48.2Very low160 Ų16074 Ų7460%0.60441%0.414SS*.PPolyproline II helixtrans-77.1145.4153.9-77-178.7174.9174.6-2.9108.5
227A35Very low48.9Very low162 Ų16271 Ų71100%1.33938%0.383SS*.  trans-66.30164.500000109.7

Retrieved 227 of 227 residues in 256.5 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).