G4VE51_SCHMA Loading...

Ribulose-phosphate 3-epimerase

Catalyzes the reversible epimerization of D-ribulose 5-phosphate to D-xylulose 5-phosphate.

AlphaFold DB , UniProt , Accession G4VE51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49Very low80.8Confident225 Ų22569.4 Ų69.4100%1.10838%0.382SS*.  0128.60-89170.8-173.700107.2H3M1-H3 PolarHBondContact O-N 2.91Å
2T56.6Low82.3Confident103 Ų10363.6 Ų63.663%0.63235%0.35SS*.  trans-63.5122.2176.846.60000108.8I4T2-I4 HydrophobicContact CG2-CD1 4.26Å; T2-I4 PolarHBondContact O-N 3.46Å; T2-I4 VanDerWaalsContact O-N 3.08Å
3H67.9Low83.5Confident58 Ų5858.7 Ų58.727%0.26932%0.324SS..  trans-75.815.5175.1-52.9-72.7000112.1M1 K165 R168 E169 G194M1-H3 PolarHBondContact O-N 2.91Å; H3-K165 WeakPolarHBondContact CE1-CE 3.32Å; H3-K165 VanDerWaalsContact NE2-CE 3.25Å; H3-K165 WeakPolarHBondContact NE2-CE 3.24Å; H3-K165 PolarHBondContact NE2-NZ 3.21Å; H3-R168 VanDerWaalsContact O-CG 3.24Å; H3-R168 WeakPolarHBondContact O-CG 3.47Å; H3-E169 IonicContact CE1-OE1 3.78Å; H3-E169 PolarHBondContact CE1-OE1 2.96Å; H3-E169 IonicContact ND1-OE1 3.88Å; H3-E169 PolarHBondContact ND1-OE1 3.27Å; H3-E169 IonicContact NE2-OE1 3.56Å; H3-G194 WeakPolarHBondContact O-CA 3.37Å
4I74.1Confident84.6Confident40 Ų4054.9 Ų54.921%0.20530%0.303CS..  trans-80.1135.3-175.2-56.7165.2000108.2T2 V191 L224T2-I4 HydrophobicContact CG2-CD1 4.26Å; T2-I4 PolarHBondContact O-N 3.46Å; T2-I4 VanDerWaalsContact O-N 3.08Å; I4-V191 HydrophobicContact CG2-CG1 4.48Å; I4-L224 HydrophobicContact CD1-CB 3.64Å; I4-L224 HydrophobicContact CD1-CD1 3.58Å; I4-L224 HydrophobicContact CD1-CD2 4.21Å; I4-L224 HydrophobicContact CD1-CG 3.99Å; I4-L224 HydrophobicContact CG1-CD1 3.98Å
5C83.4Confident85.4Confident2 Ų251.5 Ų51.51%0.01428%0.284CS..  trans-64.2140.6174.8-169.70000110.9K7 R168 N196C5-K7 VanDerWaalsContact C-N 3.29Å; C5-K7 VanDerWaalsContact SG-CB 3.6Å; C5-K7 PolarHBondContact SG-N 2.91Å; C5-K7 VanDerWaalsContact SG-N 3.38Å; C5-R168 PolarHBondContact SG-NH1 3.33Å; C5-R168 VanDerWaalsContact SG-NH1 3.41Å; C5-R168 PolarHBondContact SG-NH2 3.45Å; C5-R168 VanDerWaalsContact SG-NH2 3.42Å; C5-N196 HydrophobicContact CB-CB 3.76Å
6S84.9Confident86.1Confident93 Ų9349.8 Ų49.865%0.6528%0.275SS*.SBendtrans-76.5-16.4173.556.80000113.3
7K89.9Confident86.5Confident68 Ų6851.4 Ų51.430%0.29628%0.282SS..SBendtrans-76.3158.5176.1-70.6177.3153.7175.80111.6C5 N173 D175C5-K7 VanDerWaalsContact C-N 3.29Å; C5-K7 VanDerWaalsContact SG-CB 3.6Å; C5-K7 PolarHBondContact SG-N 2.91Å; C5-K7 VanDerWaalsContact SG-N 3.38Å; K7-N173 WeakPolarHBondContact CE-O 3.2Å; K7-N173 PolarHBondContact NZ-O 3.12Å; K7-D175 WeakPolarHBondContact CD-OD1 3.18Å; K7-D175 IonicContact NZ-OD1 2.76Å; K7-D175 PolarHBondContact NZ-OD1 3.25Å; K7-D175 IonicContact NZ-OD2 3.78Å; K7-D175 PolarHBondContact NZ-OD2 3.13Å
8P92.3Very high86.9Confident98 Ų9849.4 Ų49.464%0.63627%0.274SS*.PPolyproline II helixtrans-55.4146170.8-23.434.2000112.1L10P8-L10 HydrophobicContact CB-CD2 4.42Å
9I95Very high87.2Confident19 Ų1950.8 Ų50.810%0.09728%0.281CS..PPolyproline II helixtrans-81.2119.5169.5-53.2-57.7000108.5V191 N196 I198 R218 A221I9-V191 HydrophobicContact CD1-CG1 3.76Å; I9-V191 HydrophobicContact CD1-CG2 4.12Å; I9-V191 HydrophobicContact CG1-CG1 4.23Å; I9-V191 HydrophobicContact CG1-CG2 4.44Å; I9-V191 HydrophobicContact CG2-CG2 4.18Å; I9-N196 CarbonylContact C-O 3.59Å; I9-N196 WeakPolarHBondContact CA-O 3.42Å; I9-N196 HydrophobicContact CD1-CB 3.94Å; I9-I198 HydrophobicContact CG2-CG1 3.88Å; I9-R218 PolarHBondContact O-NH1 3.3Å; I9-A221 HydrophobicContact CG1-CB 4.48Å; I9-A221 HydrophobicContact CG2-CB 4.14Å
10L97.5Very high87.4Confident56 Ų5652.5 Ų52.529%0.29329%0.289SS..EExtended strand (participates in β ladder)trans-101140.4177.7-53.8-179.7000110.3P8 D36 Y37 N196 M197 I198P8-L10 HydrophobicContact CB-CD2 4.42Å; L10-D36 WeakPolarHBondContact CA-OD2 3.35Å; L10-D36 HydrophobicContact CB-CB 4.11Å; L10-D36 HydrophobicContact CD2-CB 4.06Å; L10-Y37 HydrophobicContact CB-CD1 4.23Å; L10-Y37 HydrophobicContact CB-CE1 3.85Å; L10-N196 PolarHBondContact N-O 3.49Å; L10-M197 HydrophobicContact CB-CG 4.28Å; L10-M197 HydrophobicContact CD1-CG 4.25Å; L10-I198 PolarHBondContact O-N 3.37Å
11I98.5Very high87.7Confident1 Ų154.8 Ų54.81%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-118.8120.2177.7-59.4-179.2000108.9D36 I198 I204 I214 M217 R218I11-D36 PolarHBondContact N-OD2 3.36Å; I11-D36 PolarHBondContact O-N 3.06Å; I11-I198 WeakPolarHBondContact CA-O 3.4Å; I11-I198 HydrophobicContact CG1-CB 4.47Å; I11-I204 HydrophobicContact CG2-CD1 3.79Å; I11-I214 HydrophobicContact CD1-CG2 4.2Å; I11-I214 HydrophobicContact CG2-CG1 4.47Å; I11-M217 HydrophobicContact CD1-CB 3.59Å; I11-R218 HydrophobicContact CD1-CB 4.47Å; I11-R218 HydrophobicContact CD1-CG 3.48Å; I11-R218 VanDerWaalsContact CD1-CG 3.48Å; I11-R218 HydrophobicContact CG1-CG 4.4Å
12G98.4Very high89.9Confident0 Ų049.3 Ų49.30%028%0.279CS..EExtended strand (participates in β ladder)trans-117.2104.3176.800000111.2S14 Y37 I198 V199 S200G12-S14 PolarHBondContact O-N 3.08Å; G12-Y37 VanDerWaalsContact CA-CE1 3.5Å; G12-Y37 VanDerWaalsContact CA-CZ 3.41Å; G12-Y37 WeakPolarHBondContact CA-O 3.33Å; G12-Y37 VanDerWaalsContact N-CE1 3.26Å; G12-I198 PolarHBondContact N-O 3.44Å; G12-V199 VanDerWaalsContact O-CA 3.29Å; G12-V199 WeakPolarHBondContact O-CA 3.44Å; G12-S200 PolarHBondContact O-N 3.1Å
13P98.4Very high91.8Very high0 Ų045.1 Ų45.10%025%0.253CS..EExtended strand (participates in β ladder)trans-64.2130.8176.1-18.731.3000110.6L30 A35 Y37 H39 S200 I204 I214P13-L30 HydrophobicContact CB-CD1 4.03Å; P13-L30 HydrophobicContact CB-CD2 3.96Å; P13-L30 HydrophobicContact CB-CG 4.48Å; P13-L30 HydrophobicContact CG-CB 4.46Å; P13-L30 HydrophobicContact CG-CD2 4.02Å; P13-A35 VanDerWaalsContact CD-CB 3.47Å; P13-A35 HydrophobicContact CG-CB 3.74Å; P13-Y37 VanDerWaalsContact CD-O 3.32Å; P13-Y37 WeakPolarHBondContact CD-O 3.48Å; P13-H39 PolarHBondContact O-N 3.38Å; P13-H39 VanDerWaalsContact O-N 3.12Å; P13-S200 VanDerWaalsContact CA-O 3.22Å; P13-S200 WeakPolarHBondContact CA-O 3.35Å; P13-I204 HydrophobicContact CB-CB 4.34Å; P13-I204 HydrophobicContact CB-CD1 4.03Å; P13-I204 HydrophobicContact CB-CG2 4.07Å; P13-I204 HydrophobicContact CG-CD1 3.85Å; P13-I204 HydrophobicContact CG-CG2 4.06Å; P13-I214 HydrophobicContact CG-CD1 4.31Å
14S98.6Very high93.1Very high6 Ų643.7 Ų43.74%0.04225%0.251CS..BIsolated β-bridgetrans-76.4129.8167.8161.10000109.2G12 L16 H39 D41 S200 G201 T205G12-S14 PolarHBondContact O-N 3.08Å; S14-L16 VanDerWaalsContact C-N 3.33Å; S14-L16 WeakPolarHBondContact OG-CB 2.89Å; S14-L16 PolarHBondContact OG-N 3.45Å; S14-H39 WeakPolarHBondContact CA-O 3.35Å; S14-D41 PolarHBondContact OG-OD2 3.23Å; S14-S200 PolarHBondContact N-O 3.01Å; S14-S200 VanDerWaalsContact N-O 3.11Å; S14-G201 WeakPolarHBondContact O-CA 3.41Å; S14-T205 WeakPolarHBondContact O-CG2 3.23Å
15I97.1Very high94.2Very high3 Ų347.3 Ų47.32%0.01527%0.271CS..  trans-88.70.2178.669.2174.5000113.1N17 A18 L23 L30 H39 L40 L61I15-N17 VanDerWaalsContact C-N 3.27Å; I15-N17 PolarHBondContact O-N 3.29Å; I15-N17 VanDerWaalsContact O-N 3.17Å; I15-A18 VanDerWaalsContact O-CB 3.32Å; I15-A18 WeakPolarHBondContact O-CB 3.32Å; I15-A18 PolarHBondContact O-N 3.28Å; I15-L23 HydrophobicContact CB-CD2 4.36Å; I15-L23 HydrophobicContact CD1-CD1 4.49Å; I15-L23 HydrophobicContact CD1-CD2 3.81Å; I15-L23 HydrophobicContact CG1-CD2 4.36Å; I15-L30 HydrophobicContact CG2-CD1 3.97Å; I15-H39 PolarHBondContact N-O 3.3Å; I15-L40 HydrophobicContact CD1-CD1 4.17Å; I15-L40 HydrophobicContact CD1-CD2 4.22Å; I15-L40 HydrophobicContact CD1-CG 3.64Å; I15-L40 HydrophobicContact CG1-CG 4.2Å; I15-L61 HydrophobicContact CD1-CD2 4.26Å
16L96.4Very high94.8Very high25 Ų2548.8 Ų48.813%0.13128%0.279CS..THydrogen-bonded Turntrans-50.3-44.7-173.6175.260.2000113.6S14 D41 M43 T52S14-L16 VanDerWaalsContact C-N 3.33Å; S14-L16 WeakPolarHBondContact OG-CB 2.89Å; S14-L16 PolarHBondContact OG-N 3.45Å; L16-D41 HydrophobicContact CB-CB 4.13Å; L16-D41 WeakPolarHBondContact CB-OD2 3.11Å; L16-D41 HydrophobicContact CD1-CB 4.08Å; L16-D41 HydrophobicContact CD2-CB 4.36Å; L16-D41 HydrophobicContact CG-CB 4.42Å; L16-M43 HydrophobicContact CD1-CE 4.01Å; L16-M43 HydrophobicContact CD2-CE 3.82Å; L16-T52 HydrophobicContact CD1-CG2 3.42Å; L16-T52 VanDerWaalsContact CD1-CG2 3.42Å
17N93.1Very high95.4Very high76 Ų7644.3 Ų44.341%0.40625%0.248SC..THydrogen-bonded Turntrans-98.69.2-176.9-74.1-20.4000113.3I15 G152 G153 T202I15-N17 VanDerWaalsContact C-N 3.27Å; I15-N17 PolarHBondContact O-N 3.29Å; I15-N17 VanDerWaalsContact O-N 3.17Å; N17-G152 WeakPolarHBondContact ND2-CA 3.07Å; N17-G153 PolarHBondContact ND2-N 3.43Å; N17-T202 PolarHBondContact ND2-OG1 2.7Å
18A93.4Very high95.7Very high16 Ų1644.3 Ų44.313%0.13225%0.251CS..SBendtrans-74.9169.4174.200000111.2I15 L20 V26I15-A18 VanDerWaalsContact O-CB 3.32Å; I15-A18 WeakPolarHBondContact O-CB 3.32Å; I15-A18 PolarHBondContact O-N 3.28Å; A18-L20 PolarHBondContact O-N 3Å; A18-V26 HydrophobicContact CB-CG1 3.69Å; A18-V26 HydrophobicContact CB-CG2 4.26Å
19D92.6Very high95.8Very high76 Ų7644.2 Ų44.241%0.40624%0.242SC..  trans-65.596.9168.9-177.1-6.7000109.3S21 K22D19-S21 PolarHBondContact O-N 3.35Å; D19-S21 VanDerWaalsContact O-N 3.09Å; D19-S21 WeakPolarHBondContact OD1-CB 3.48Å; D19-S21 PolarHBondContact OD1-N 3.02Å; D19-S21 PolarHBondContact OD1-OG 3.41Å; D19-S21 PolarHBondContact OD2-OG 3.14Å; D19-K22 PolarHBondContact O-N 3.06Å; D19-K22 WeakPolarHBondContact OD2-CD 3.45Å; D19-K22 WeakPolarHBondContact OD2-CE 3.26Å; D19-K22 IonicContact OD2-NZ 2.8Å
20L91.3Very high96Very high84 Ų8443.5 Ų43.544%0.4424%0.238SC..G310 helixtrans-64-15.3-176.5-57.8-175.9000112.9A18 K22 L23A18-L20 PolarHBondContact O-N 3Å; L20-K22 PolarHBondContact O-N 3.48Å; L20-L23 HydrophobicContact CB-CG 4.5Å; L20-L23 HydrophobicContact CD2-CD1 4.35Å; L20-L23 HydrophobicContact CD2-CD2 3.66Å; L20-L23 HydrophobicContact CD2-CG 4.29Å; L20-L23 WeakPolarHBondContact O-CG 3.48Å
21S94Very high96Very high101 Ų10142.4 Ų42.471%0.70623%0.233SC*.G310 helixtrans-74.8-14173.1760000113.1D19D19-S21 PolarHBondContact O-N 3.35Å; D19-S21 VanDerWaalsContact O-N 3.09Å; D19-S21 WeakPolarHBondContact OD1-CB 3.48Å; D19-S21 PolarHBondContact OD1-N 3.02Å; D19-S21 PolarHBondContact OD1-OG 3.41Å; D19-S21 PolarHBondContact OD2-OG 3.14Å
22K94.9Very high95.9Very high111 Ų11148.1 Ų48.148%0.48326%0.263SS..G310 helixtrans-12628.7-175.3-59.6-179.2-172.4163.40113D19 L20 A24 D25 V26D19-K22 PolarHBondContact O-N 3.06Å; D19-K22 WeakPolarHBondContact OD2-CD 3.45Å; D19-K22 WeakPolarHBondContact OD2-CE 3.26Å; D19-K22 IonicContact OD2-NZ 2.8Å; L20-K22 PolarHBondContact O-N 3.48Å; K22-A24 PolarHBondContact O-N 2.8Å; K22-A24 VanDerWaalsContact O-N 3.1Å; K22-D25 PolarHBondContact O-N 3.27Å; K22-D25 VanDerWaalsContact O-N 3.09Å; K22-V26 HydrophobicContact CB-CG2 4.42Å; K22-V26 WeakPolarHBondContact O-CG2 3.42Å; K22-V26 PolarHBondContact O-N 3.31Å
23L96.1Very high95.9Very high15 Ų1548.8 Ų48.88%0.07927%0.268CS..Hα-helixtrans-53.3-37.4-172.5-76.3-179.2000114.4I15 L20 C27 V57 L61I15-L23 HydrophobicContact CB-CD2 4.36Å; I15-L23 HydrophobicContact CD1-CD1 4.49Å; I15-L23 HydrophobicContact CD1-CD2 3.81Å; I15-L23 HydrophobicContact CG1-CD2 4.36Å; L20-L23 HydrophobicContact CB-CG 4.5Å; L20-L23 HydrophobicContact CD2-CD1 4.35Å; L20-L23 HydrophobicContact CD2-CD2 3.66Å; L20-L23 HydrophobicContact CD2-CG 4.29Å; L20-L23 WeakPolarHBondContact O-CG 3.48Å; L23-C27 VanDerWaalsContact O-CB 3.23Å; L23-C27 WeakPolarHBondContact O-CB 3.47Å; L23-C27 PolarHBondContact O-N 3.14Å; L23-C27 PolarHBondContact O-SG 3.25Å; L23-V57 HydrophobicContact CD1-CG1 3.88Å; L23-L61 HydrophobicContact CB-CD1 4.17Å
24A95.9Very high95.8Very high28 Ų2850.4 Ų50.423%0.23129%0.285CS..Hα-helixtrans-61.2-51.4178.200000111.5K22 V26 C27 D28 L61 H64K22-A24 PolarHBondContact O-N 2.8Å; K22-A24 VanDerWaalsContact O-N 3.1Å; A24-V26 PolarHBondContact O-N 3.01Å; A24-C27 PolarHBondContact O-N 3Å; A24-D28 WeakPolarHBondContact O-CB 3.25Å; A24-D28 PolarHBondContact O-N 2.75Å; A24-L61 HydrophobicContact CB-CD1 4.3Å; A24-H64 HydrophobicContact CB-CB 3.87Å
25D96Very high95.8Very high116 Ų11650.7 Ų50.762%0.6229%0.287SS*.Hα-helixtrans-64.5-41.6179.3-59.6-23000111.4K22 H29K22-D25 PolarHBondContact O-N 3.27Å; K22-D25 VanDerWaalsContact O-N 3.09Å; D25-H29 VanDerWaalsContact O-CB 3.23Å; D25-H29 WeakPolarHBondContact O-CB 3.48Å; D25-H29 PolarHBondContact O-N 2.63Å
26V96.1Very high95.9Very high32 Ų3253.5 Ų53.519%0.19430%0.303CS..Hα-helixtrans-58.6-51175.7168.60000110.3A18 K22 A24 H29 L30A18-V26 HydrophobicContact CB-CG1 3.69Å; A18-V26 HydrophobicContact CB-CG2 4.26Å; K22-V26 HydrophobicContact CB-CG2 4.42Å; K22-V26 WeakPolarHBondContact O-CG2 3.42Å; K22-V26 PolarHBondContact O-N 3.31Å; A24-V26 PolarHBondContact O-N 3.01Å; V26-H29 PolarHBondContact O-N 3.36Å; V26-L30 HydrophobicContact CG1-CD1 3.76Å; V26-L30 HydrophobicContact CG1-CG 4.39Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 2.85Å
27C97.7Very high96Very high0 Ų052.5 Ų52.50%030%0.297CS..Hα-helixtrans-67.1-41.9-176.5-70.90000112.1L23 A24 H29 L30 L31 L38 L61 L65L23-C27 VanDerWaalsContact O-CB 3.23Å; L23-C27 WeakPolarHBondContact O-CB 3.47Å; L23-C27 PolarHBondContact O-N 3.14Å; L23-C27 PolarHBondContact O-SG 3.25Å; A24-C27 PolarHBondContact O-N 3Å; C27-H29 VanDerWaalsContact C-N 3.34Å; C27-L30 PolarHBondContact O-N 3.2Å; C27-L31 WeakPolarHBondContact O-CG 3.45Å; C27-L31 PolarHBondContact O-N 3.27Å; C27-L38 HydrophobicContact CB-CD1 3.67Å; C27-L38 HydrophobicContact CB-CD2 4.29Å; C27-L61 HydrophobicContact CB-CD1 4.09Å; C27-L65 HydrophobicContact CB-CD1 4.37Å; C27-L65 HydrophobicContact CB-CD2 3.56Å
28D95.7Very high96.2Very high67 Ų6748.9 Ų48.936%0.35828%0.278SS..Hα-helixtrans-60.6-45.1174.2-177.270.7000111.1A24 L30 L31 N32A24-D28 WeakPolarHBondContact O-CB 3.25Å; A24-D28 PolarHBondContact O-N 2.75Å; D28-L30 PolarHBondContact O-N 3.35Å; D28-L31 PolarHBondContact O-N 3Å; D28-N32 VanDerWaalsContact CG-ND2 3.33Å; D28-N32 WeakPolarHBondContact O-CB 3.33Å; D28-N32 PolarHBondContact O-N 3.43Å; D28-N32 PolarHBondContact O-ND2 3.35Å; D28-N32 VanDerWaalsContact O-ND2 3.11Å; D28-N32 PolarHBondContact OD1-ND2 3.19Å; D28-N32 PolarHBondContact OD2-ND2 3.02Å
29H95.9Very high96.5Very high97 Ų9748.1 Ų48.145%0.44927%0.272SS..Hα-helixtrans-62-40.8177.1-174.860.8000112.8D25 V26 C27 N32 S33 P210D25-H29 VanDerWaalsContact O-CB 3.23Å; D25-H29 WeakPolarHBondContact O-CB 3.48Å; D25-H29 PolarHBondContact O-N 2.63Å; V26-H29 PolarHBondContact O-N 3.36Å; C27-H29 VanDerWaalsContact C-N 3.34Å; H29-N32 PolarHBondContact O-N 2.9Å; H29-S33 VanDerWaalsContact O-CB 3.22Å; H29-S33 WeakPolarHBondContact O-CB 3.36Å; H29-S33 PolarHBondContact O-N 3.3Å; H29-S33 PolarHBondContact O-OG 3.01Å; H29-P210 WeakPolarHBondContact NE2-CD 3.41Å
30L97.9Very high96.8Very high3 Ų344.5 Ų44.52%0.01625%0.252CS..Hα-helixtrans-65.9-43.6177.4-71.2168.4000112.1P13 I15 V26 C27 D28 S33 G34 A35 L38 I204 T205 P210P13-L30 HydrophobicContact CB-CD1 4.03Å; P13-L30 HydrophobicContact CB-CD2 3.96Å; P13-L30 HydrophobicContact CB-CG 4.48Å; P13-L30 HydrophobicContact CG-CB 4.46Å; P13-L30 HydrophobicContact CG-CD2 4.02Å; I15-L30 HydrophobicContact CG2-CD1 3.97Å; V26-L30 HydrophobicContact CG1-CD1 3.76Å; V26-L30 HydrophobicContact CG1-CG 4.39Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 2.85Å; C27-L30 PolarHBondContact O-N 3.2Å; D28-L30 PolarHBondContact O-N 3.35Å; L30-S33 CarbonylContact O-C 3.6Å; L30-S33 WeakPolarHBondContact O-CB 3.46Å; L30-S33 PolarHBondContact O-N 3.49Å; L30-S33 VanDerWaalsContact O-N 3.15Å; L30-G34 PolarHBondContact O-N 3.44Å; L30-A35 HydrophobicContact CB-CB 4.47Å; L30-A35 VanDerWaalsContact O-CB 3.23Å; L30-A35 WeakPolarHBondContact O-CB 3.37Å; L30-A35 PolarHBondContact O-N 3.37Å; L30-A35 VanDerWaalsContact O-N 3.15Å; L30-L38 HydrophobicContact CB-CD2 4.05Å; L30-L38 HydrophobicContact CD1-CD2 4.24Å; L30-I204 HydrophobicContact CD2-CG2 3.71Å; L30-T205 HydrophobicContact CD1-CG2 4.34Å; L30-T205 HydrophobicContact CD2-CG2 4.39Å; L30-P210 HydrophobicContact CD2-CB 4.15Å
31L98Very high97.1Very high33 Ų3340.9 Ų40.917%0.17323%0.233CC..Hα-helixtrans-62.4-46.4175.5-70.8172.8000111.1C27 D28 S33 G34 L38 L65 P66 A69C27-L31 WeakPolarHBondContact O-CG 3.45Å; C27-L31 PolarHBondContact O-N 3.27Å; D28-L31 PolarHBondContact O-N 3Å; L31-S33 PolarHBondContact O-N 3.06Å; L31-G34 PolarHBondContact O-N 2.89Å; L31-L38 HydrophobicContact CD1-CD1 3.98Å; L31-L38 HydrophobicContact CD2-CD1 4.3Å; L31-L38 HydrophobicContact CD2-CD2 4.38Å; L31-L38 HydrophobicContact CD2-CG 4.03Å; L31-L38 HydrophobicContact CG-CD1 4.08Å; L31-L38 HydrophobicContact CG-CD2 4.27Å; L31-L38 HydrophobicContact CG-CG 4.19Å; L31-L65 HydrophobicContact CD1-CD2 4.14Å; L31-P66 HydrophobicContact CD1-CG 4.35Å; L31-A69 HydrophobicContact CD1-CB 3.85Å
32N97.3Very high97.4Very high121 Ų12136.3 Ų36.365%0.64720%0.201SC*.Hα-helixtrans-66.3-20.7176-71.4-38000112.9D28 H29 G34D28-N32 VanDerWaalsContact CG-ND2 3.33Å; D28-N32 WeakPolarHBondContact O-CB 3.33Å; D28-N32 PolarHBondContact O-N 3.43Å; D28-N32 PolarHBondContact O-ND2 3.35Å; D28-N32 VanDerWaalsContact O-ND2 3.11Å; D28-N32 PolarHBondContact OD1-ND2 3.19Å; D28-N32 PolarHBondContact OD2-ND2 3.02Å; H29-N32 PolarHBondContact O-N 2.9Å; N32-G34 VanDerWaalsContact C-N 3.28Å
33S97.4Very high97.6Very high14 Ų1431.4 Ų31.410%0.09818%0.18CC..THydrogen-bonded Turntrans-82-1.6172.9-66.30000113.9H29 L30 L31 A211H29-S33 VanDerWaalsContact O-CB 3.22Å; H29-S33 WeakPolarHBondContact O-CB 3.36Å; H29-S33 PolarHBondContact O-N 3.3Å; H29-S33 PolarHBondContact O-OG 3.01Å; L30-S33 CarbonylContact O-C 3.6Å; L30-S33 WeakPolarHBondContact O-CB 3.46Å; L30-S33 PolarHBondContact O-N 3.49Å; L30-S33 VanDerWaalsContact O-N 3.15Å; L31-S33 PolarHBondContact O-N 3.06Å; S33-A211 WeakPolarHBondContact O-CA 3.49Å
34G96.9Very high97.7Very high34 Ų3431.8 Ų31.835%0.35118%0.182SC..THydrogen-bonded Turntrans95.221.6175.700000115L30 L31 N32 R218L30-G34 PolarHBondContact O-N 3.44Å; L31-G34 PolarHBondContact O-N 2.89Å; N32-G34 VanDerWaalsContact C-N 3.28Å; G34-R218 PolarHBondContact O-NH2 2.73Å
35A98.3Very high97.8Very high12 Ų1231.9 Ų31.910%0.09919%0.186CC..  trans-62.4136.516600000110.6P13 L30 I214P13-A35 VanDerWaalsContact CD-CB 3.47Å; P13-A35 HydrophobicContact CG-CB 3.74Å; L30-A35 HydrophobicContact CB-CB 4.47Å; L30-A35 VanDerWaalsContact O-CB 3.23Å; L30-A35 WeakPolarHBondContact O-CB 3.37Å; L30-A35 PolarHBondContact O-N 3.37Å; L30-A35 VanDerWaalsContact O-N 3.15Å; A35-I214 HydrophobicContact CB-CD1 4.22Å
36D98.3Very high97.9Very high63 Ų6333.8 Ų33.834%0.33719%0.19SC..SBendtrans-81.8-30.7178.6-62.2-57.1000111.9L10 I11 R218L10-D36 WeakPolarHBondContact CA-OD2 3.35Å; L10-D36 HydrophobicContact CB-CB 4.11Å; L10-D36 HydrophobicContact CD2-CB 4.06Å; I11-D36 PolarHBondContact N-OD2 3.36Å; I11-D36 PolarHBondContact O-N 3.06Å; D36-R218 IonicContact OD1-CZ 2.81Å; D36-R218 IonicContact OD1-NH1 3.56Å; D36-R218 IonicContact OD1-NH2 2.75Å; D36-R218 PolarHBondContact OD1-NH2 2.67Å; D36-R218 IonicContact OD2-CZ 2.96Å; D36-R218 IonicContact OD2-NH1 3.75Å; D36-R218 PolarHBondContact OD2-NH1 3.11Å; D36-R218 IonicContact OD2-NH2 2.77Å; D36-R218 PolarHBondContact OD2-NH2 3.48Å
37Y98.7Very high98Very high4 Ų433.3 Ų33.32%0.01619%0.186CC..SBendtrans-150.4167.417761.1-78.6000110.1L10 G12 P13 H39 F70 D72 E177 M197 I198 V199L10-Y37 HydrophobicContact CB-CD1 4.23Å; L10-Y37 HydrophobicContact CB-CE1 3.85Å; G12-Y37 VanDerWaalsContact CA-CE1 3.5Å; G12-Y37 VanDerWaalsContact CA-CZ 3.41Å; G12-Y37 WeakPolarHBondContact CA-O 3.33Å; G12-Y37 VanDerWaalsContact N-CE1 3.26Å; P13-Y37 VanDerWaalsContact CD-O 3.32Å; P13-Y37 WeakPolarHBondContact CD-O 3.48Å; Y37-H39 HydrophobicContact CE2-CB 4.27Å; Y37-F70 HydrophobicContact CG-CD1 4.47Å; Y37-D72 HydrophobicContact CD2-CB 3.76Å; Y37-D72 HydrophobicContact CE2-CB 4.1Å; Y37-E177 VanDerWaalsContact CE2-OE2 3.26Å; Y37-E177 WeakPolarHBondContact CE2-OE2 3.47Å; Y37-E177 VanDerWaalsContact CZ-OE2 3.26Å; Y37-E177 PolarHBondContact OH-OE2 3.22Å; Y37-M197 HydrophobicContact CD1-CE 4.34Å; Y37-M197 HydrophobicContact CE1-CE 3.83Å; Y37-M197 HydrophobicContact CE2-CE 3.97Å; Y37-I198 PolarHBondContact OH-N 3.04Å; Y37-V199 HydrophobicContact CE2-CG2 4.42Å
38L98.8Very high98Very high0 Ų033.5 Ų33.50%019%0.187CC..EExtended strand (participates in β ladder)trans-108128171.1-64.3167.7000108.4C27 L30 L31 L40 L65 F70 L71 D72C27-L38 HydrophobicContact CB-CD1 3.67Å; C27-L38 HydrophobicContact CB-CD2 4.29Å; L30-L38 HydrophobicContact CB-CD2 4.05Å; L30-L38 HydrophobicContact CD1-CD2 4.24Å; L31-L38 HydrophobicContact CD1-CD1 3.98Å; L31-L38 HydrophobicContact CD2-CD1 4.3Å; L31-L38 HydrophobicContact CD2-CD2 4.38Å; L31-L38 HydrophobicContact CD2-CG 4.03Å; L31-L38 HydrophobicContact CG-CD1 4.08Å; L31-L38 HydrophobicContact CG-CD2 4.27Å; L31-L38 HydrophobicContact CG-CG 4.19Å; L38-L40 HydrophobicContact CB-CD1 3.71Å; L38-L40 WeakPolarHBondContact O-CD1 3.43Å; L38-L65 HydrophobicContact CD1-CD1 3.63Å; L38-L65 HydrophobicContact CD1-CD2 4.36Å; L38-F70 PolarHBondContact N-O 2.7Å; L38-L71 HydrophobicContact CB-CD2 4.04Å; L38-L71 HydrophobicContact CD1-CD2 3.97Å; L38-D72 PolarHBondContact O-N 2.96Å
39H98.8Very high98.1Very high0 Ų035.1 Ų35.10%020%0.201CC..EExtended strand (participates in β ladder)trans-99.1122.1177.6-174.695.8000109.8P13 S14 I15 Y37 D41 D72 H74 E177 D179 V199P13-H39 PolarHBondContact O-N 3.38Å; P13-H39 VanDerWaalsContact O-N 3.12Å; S14-H39 WeakPolarHBondContact CA-O 3.35Å; I15-H39 PolarHBondContact N-O 3.3Å; Y37-H39 HydrophobicContact CE2-CB 4.27Å; H39-D41 IonicContact CD2-OD2 2.63Å; H39-D41 PolarHBondContact CD2-OD2 3.48Å; H39-D41 IonicContact NE2-OD2 2.89Å; H39-D72 IonicContact CE1-OD2 3.96Å; H39-D72 PolarHBondContact CE1-OD2 3.28Å; H39-D72 IonicContact CG-OD2 2.7Å; H39-D72 IonicContact ND1-OD2 2.87Å; H39-D72 PolarHBondContact ND1-OD2 2.71Å; H39-H74 VanDerWaalsContact CE1-CB 3.45Å; H39-H74 WeakPolarHBondContact CE1-CB 3.25Å; H39-H74 AromaticContact CE1-CG 3.94Å; H39-H74 VanDerWaalsContact NE2-CB 3.33Å; H39-H74 WeakPolarHBondContact NE2-CB 3.45Å; H39-H74 AromaticContact NE2-CG 3.75Å; H39-H74 AromaticContact NE2-ND1 3.51Å; H39-E177 IonicContact CE1-OE1 3.47Å; H39-E177 IonicContact ND1-OE1 3.67Å; H39-D179 IonicContact NE2-OD2 3.18Å; H39-V199 HydrophobicContact CB-CG1 4.03Å; H39-V199 HydrophobicContact CB-CG2 4.26Å; H39-V199 WeakPolarHBondContact ND1-CG2 3.49Å
40L98.7Very high98.2Very high0 Ų032.6 Ų32.60%019%0.191CC..EExtended strand (participates in β ladder)trans-119.9104.2-172.8-78.673.4000110.1I15 L38 V42 I53 V58 L61 L71 D72 L73 H74I15-L40 HydrophobicContact CD1-CD1 4.17Å; I15-L40 HydrophobicContact CD1-CD2 4.22Å; I15-L40 HydrophobicContact CD1-CG 3.64Å; I15-L40 HydrophobicContact CG1-CG 4.2Å; L38-L40 HydrophobicContact CB-CD1 3.71Å; L38-L40 WeakPolarHBondContact O-CD1 3.43Å; L40-V42 PolarHBondContact O-N 2.97Å; L40-I53 HydrophobicContact CD2-CD1 4.24Å; L40-V58 HydrophobicContact CD2-CG1 4.44Å; L40-V58 HydrophobicContact CD2-CG2 4.07Å; L40-L61 HydrophobicContact CD2-CD2 4.03Å; L40-L71 HydrophobicContact CD1-CD2 4.16Å; L40-D72 PolarHBondContact N-O 3.37Å; L40-L73 HydrophobicContact CB-CD2 3.61Å; L40-L73 HydrophobicContact CD2-CD2 3.82Å; L40-L73 HydrophobicContact CG-CD2 4.2Å; L40-H74 PolarHBondContact O-N 3.34Å
41D98.7Very high98.2Very high8 Ų838.4 Ų38.44%0.04322%0.221CC..EExtended strand (participates in β ladder)trans-71.3108.5174.5-61-110.4000111.8S14 L16 H39 M43 T52 H74 M76S14-D41 PolarHBondContact OG-OD2 3.23Å; L16-D41 HydrophobicContact CB-CB 4.13Å; L16-D41 WeakPolarHBondContact CB-OD2 3.11Å; L16-D41 HydrophobicContact CD1-CB 4.08Å; L16-D41 HydrophobicContact CD2-CB 4.36Å; L16-D41 HydrophobicContact CG-CB 4.42Å; H39-D41 IonicContact CD2-OD2 2.63Å; H39-D41 PolarHBondContact CD2-OD2 3.48Å; H39-D41 IonicContact NE2-OD2 2.89Å; D41-M43 HydrophobicContact CB-CE 4.11Å; D41-T52 WeakPolarHBondContact O-CB 3.36Å; D41-T52 PolarHBondContact O-OG1 3.42Å; D41-H74 IonicContact OD1-ND1 3.98Å; D41-M76 HydrophobicContact CB-CE 3.68Å; D41-M76 WeakPolarHBondContact OD1-CE 3.24Å
42V98.8Very high98.1Very high5 Ų538.4 Ų38.43%0.0322%0.222CC..EExtended strand (participates in β ladder)trans-105.1118.1176.4171.90000109.5L40 I53 H74 M75 M76 V77 M87L40-V42 PolarHBondContact O-N 2.97Å; V42-I53 WeakPolarHBondContact CG1-O 3.12Å; V42-I53 HydrophobicContact CG2-CG1 4.2Å; V42-H74 PolarHBondContact N-O 2.92Å; V42-M75 HydrophobicContact CB-CE 4.05Å; V42-M75 HydrophobicContact CB-SD 3.69Å; V42-M75 HydrophobicContact CG1-CE 3.55Å; V42-M75 HydrophobicContact CG1-SD 3.9Å; V42-M75 HydrophobicContact CG2-SD 3.93Å; V42-M76 CarbonylContact O-C 3.01Å; V42-M76 WeakPolarHBondContact O-CA 3.31Å; V42-M76 WeakPolarHBondContact O-CB 3.33Å; V42-M76 PolarHBondContact O-N 3.35Å; V42-V77 HydrophobicContact CG1-CG1 3.91Å; V42-M87 HydrophobicContact CB-CE 4.35Å; V42-M87 HydrophobicContact CG1-CE 3.73Å; V42-M87 HydrophobicContact CG2-CE 3.86Å
43M98.7Very high98.2Very high7 Ų733.8 Ų33.83%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-128.8142.3-175.5-54.1179.8-174.800111.4L16 D41 V48 N50 T52 M76 G150L16-M43 HydrophobicContact CD1-CE 4.01Å; L16-M43 HydrophobicContact CD2-CE 3.82Å; D41-M43 HydrophobicContact CB-CE 4.11Å; M43-V48 HydrophobicContact CB-CG2 3.63Å; M43-V48 HydrophobicContact CG-CG2 3.69Å; M43-V48 HydrophobicContact SD-CG2 3.89Å; M43-N50 WeakPolarHBondContact CB-O 3.36Å; M43-N50 HydrophobicContact SD-CB 3.69Å; M43-T52 HydrophobicContact CB-CG2 4.05Å; M43-T52 HydrophobicContact CE-CG2 4.16Å; M43-T52 HydrophobicContact CG-CG2 3.8Å; M43-T52 PolarHBondContact N-OG1 3.09Å; M43-T52 PolarHBondContact O-N 3.37Å; M43-T52 HydrophobicContact SD-CG2 3.53Å; M43-T52 VanDerWaalsContact SD-CG2 3.53Å; M43-M76 HydrophobicContact CE-CE 3.26Å; M43-M76 HydrophobicContact CE-SD 3.83Å; M43-M76 HydrophobicContact CG-CB 4.05Å; M43-M76 HydrophobicContact CG-CE 3.71Å; M43-M76 HydrophobicContact CG-SD 4.27Å; M43-M76 HydrophobicContact SD-CE 4.25Å; M43-G150 WeakPolarHBondContact CE-O 3.27Å
44D98.2Very high98.2Very high24 Ų2434.3 Ų34.313%0.12821%0.205CC..BIsolated β-bridgetrans-1154.1-172.871.9-8000115.7H46 F47 V77 S78D44-H46 PolarHBondContact O-N 2.95Å; D44-H46 PolarHBondContact O-ND1 2.59Å; D44-H46 WeakPolarHBondContact OD1-CA 3.16Å; D44-H46 PolarHBondContact OD1-N 2.93Å; D44-F47 PolarHBondContact OD1-N 3.08Å; D44-V77 HydrophobicContact CB-CB 4.09Å; D44-V77 HydrophobicContact CB-CG1 3.84Å; D44-V77 WeakPolarHBondContact OD2-CA 2.96Å; D44-S78 PolarHBondContact OD2-N 2.75Å
45G98.2Very high98.2Very high30 Ų3035.5 Ų35.531%0.30920%0.201SC..SBendtrans73.2-0.7-177.200000115.2V48 N50G45-V48 CarbonylContact C-O 3.58Å; G45-V48 WeakPolarHBondContact CA-O 3.31Å; G45-V48 PolarHBondContact N-O 3.03Å; G45-N50 WeakPolarHBondContact CA-O 3.28Å; G45-N50 PolarHBondContact N-O 3.31Å
46H98.2Very high98.2Very high155 Ų15538.5 Ų38.572%0.71822%0.22SC*.SBendtrans-109.1-55.6-179.9-62.587.1000111.4D44 V48 S78D44-H46 PolarHBondContact O-N 2.95Å; D44-H46 PolarHBondContact O-ND1 2.59Å; D44-H46 WeakPolarHBondContact OD1-CA 3.16Å; D44-H46 PolarHBondContact OD1-N 2.93Å; H46-V48 PolarHBondContact N-O 3.38Å; H46-S78 WeakPolarHBondContact CB-OG 3.02Å
47F98.7Very high98.2Very high23 Ų2338.2 Ų38.210%0.10122%0.22CC..SBendtrans-72.5-34.1179.2177-106.4000112.4D44 M76 V77 S78 H98 E100 S101 K124D44-F47 PolarHBondContact OD1-N 3.08Å; F47-M76 VanDerWaalsContact CD1-C 3.47Å; F47-M76 HydrophobicContact CD1-CB 3.98Å; F47-M76 HydrophobicContact CE1-CB 4.39Å; F47-M76 HydrophobicContact CE1-CG 4.49Å; F47-V77 VanDerWaalsContact CB-C 3.47Å; F47-S78 PolarHBondContact N-OG 2.9Å; F47-H98 HydrophobicContact CE1-CB 3.73Å; F47-H98 AromaticContact CE1-CD2 3.59Å; F47-H98 AromaticContact CE1-CG 3.52Å; F47-H98 HydrophobicContact CE2-CB 4.2Å; F47-H98 HydrophobicContact CZ-CB 3.3Å; F47-H98 AromaticContact CZ-CG 3.52Å; F47-H98 AromaticContact CZ-ND1 3.99Å; F47-E100 HydrophobicContact CE2-CB 4Å; F47-E100 HydrophobicContact CZ-CB 4.34Å; F47-S101 VanDerWaalsContact CD2-CB 3.49Å; F47-S101 VanDerWaalsContact CE2-CB 3.46Å; F47-K124 HydrophobicContact CZ-CD 4.35Å; F47-K124 PolarHBondContact O-NZ 2.61Å
48V98.6Very high98.2Very high4 Ų438 Ų382%0.02422%0.219CC..SBendtrans-128.6152.6168.1-65.50000108.2M43 G45 H46 N50 M76 P149M43-V48 HydrophobicContact CB-CG2 3.63Å; M43-V48 HydrophobicContact CG-CG2 3.69Å; M43-V48 HydrophobicContact SD-CG2 3.89Å; G45-V48 CarbonylContact C-O 3.58Å; G45-V48 WeakPolarHBondContact CA-O 3.31Å; G45-V48 PolarHBondContact N-O 3.03Å; H46-V48 PolarHBondContact N-O 3.38Å; V48-N50 PolarHBondContact O-N 2.74Å; V48-N50 VanDerWaalsContact O-N 3.12Å; V48-M76 HydrophobicContact CG1-CB 4.03Å; V48-M76 HydrophobicContact CG1-CG 4.34Å; V48-M76 HydrophobicContact CG1-SD 4.28Å; V48-M76 HydrophobicContact CG2-CB 3.84Å; V48-P149 HydrophobicContact CG1-CB 4.03Å; V48-P149 HydrophobicContact CG1-CG 4.26Å; V48-P149 WeakPolarHBondContact CG1-O 3.23Å
49P97.3Very high98.2Very high100 Ų10039.4 Ų39.465%0.64923%0.231SC*.SBendtrans-72.2-4.9-172.729.4-38.4000115F151P49-F151 HydrophobicContact CG-CE2 3.53Å; P49-F151 HydrophobicContact CG-CZ 3.93Å
50N97.3Very high98.1Very high45 Ų4542.3 Ų42.324%0.24125%0.251CS..  trans-104.3157.7-175.9-168.820.3000111.4M43 G45 V48 G150 F151M43-N50 WeakPolarHBondContact CB-O 3.36Å; M43-N50 HydrophobicContact SD-CB 3.69Å; G45-N50 WeakPolarHBondContact CA-O 3.28Å; G45-N50 PolarHBondContact N-O 3.31Å; V48-N50 PolarHBondContact O-N 2.74Å; V48-N50 VanDerWaalsContact O-N 3.12Å; N50-G150 WeakPolarHBondContact CB-O 3.2Å; N50-G150 PolarHBondContact ND2-O 3.42Å; N50-G150 VanDerWaalsContact ND2-O 3.11Å; N50-F151 HydrophobicContact CB-CD1 4.22Å; N50-F151 HydrophobicContact CB-CE1 3.75Å; N50-F151 HydrophobicContact CB-CZ 4.04Å
51I97.9Very high98Very high125 Ų12542.7 Ų42.764%0.64125%0.253SS*.BIsolated β-bridgetrans-125127.8175.2-59.2171.1000107.6
52T97.4Very high98Very high33 Ų3344.2 Ų44.220%0.20226%0.259CS..  trans-115.9-94.9-176.855.90000111.1L16 D41 M43L16-T52 HydrophobicContact CD1-CG2 3.42Å; L16-T52 VanDerWaalsContact CD1-CG2 3.42Å; D41-T52 WeakPolarHBondContact O-CB 3.36Å; D41-T52 PolarHBondContact O-OG1 3.42Å; M43-T52 HydrophobicContact CB-CG2 4.05Å; M43-T52 HydrophobicContact CE-CG2 4.16Å; M43-T52 HydrophobicContact CG-CG2 3.8Å; M43-T52 PolarHBondContact N-OG1 3.09Å; M43-T52 PolarHBondContact O-N 3.37Å; M43-T52 HydrophobicContact SD-CG2 3.53Å; M43-T52 VanDerWaalsContact SD-CG2 3.53Å
53I97.5Very high97.9Very high24 Ų2451.9 Ų51.912%0.12329%0.292CS..  trans-131.9157.6-174.661.3171.9000109.6L40 V42 V57 V58L40-I53 HydrophobicContact CD2-CD1 4.24Å; V42-I53 WeakPolarHBondContact CG1-O 3.12Å; V42-I53 HydrophobicContact CG2-CG1 4.2Å; I53-V57 HydrophobicContact CB-CB 4.04Å; I53-V57 HydrophobicContact CB-CG1 4.1Å; I53-V57 HydrophobicContact CB-CG2 4.31Å; I53-V57 HydrophobicContact CD1-CG1 4.44Å; I53-V57 HydrophobicContact CG2-CB 4.3Å; I53-V57 HydrophobicContact CG2-CG1 3.93Å; I53-V57 HydrophobicContact CG2-CG2 4.36Å; I53-V58 HydrophobicContact CD1-CG2 4.39Å
54G97.5Very high97.8Very high25 Ų2557.7 Ų57.726%0.25832%0.319SS..  trans-125-177.6172.300000111.8P56 V57 V58G54-P56 VanDerWaalsContact C-N 3.27Å; G54-P56 WeakPolarHBondContact O-CD 3.32Å; G54-P56 VanDerWaalsContact O-N 3.1Å; G54-V57 PolarHBondContact O-N 2.89Å; G54-V58 PolarHBondContact O-N 2.76Å
55H98.2Very high97.7Very high58 Ų5857.3 Ų57.327%0.26932%0.317SS..Hα-helixtrans-50.6-31.9179.562.6-87.9000115.3V57 V58 A59 N86 M87 A90H55-V57 VanDerWaalsContact C-N 3.33Å; H55-V57 PolarHBondContact O-N 3.41Å; H55-V58 PolarHBondContact O-N 2.94Å; H55-A59 VanDerWaalsContact O-CB 3.27Å; H55-A59 WeakPolarHBondContact O-CB 3.34Å; H55-A59 PolarHBondContact O-N 2.75Å; H55-N86 HydrophobicContact CB-CB 4.12Å; H55-M87 HydrophobicContact CB-CE 4.12Å; H55-M87 HydrophobicContact CB-SD 3.57Å; H55-M87 VanDerWaalsContact CB-SD 3.57Å; H55-A90 HydrophobicContact CB-CB 3.94Å; H55-A90 WeakPolarHBondContact O-CB 3.31Å
56P98.3Very high97.6Very high75 Ų7559 Ų5949%0.48732%0.322SS..Hα-helixtrans-65.6-35.5176.7-22.236.4000113.1G54 S60G54-P56 VanDerWaalsContact C-N 3.27Å; G54-P56 WeakPolarHBondContact O-CD 3.32Å; G54-P56 VanDerWaalsContact O-N 3.1Å; P56-S60 WeakPolarHBondContact O-CB 3.44Å; P56-S60 PolarHBondContact O-N 2.79Å; P56-S60 VanDerWaalsContact O-N 3.09Å; P56-S60 PolarHBondContact O-OG 2.79Å
57V98Very high97.4Very high58 Ų5856.8 Ų56.835%0.35232%0.324SS..Hα-helixtrans-71.5-45.1175.7176.70000109.7L23 I53 G54 H55 A59 S60 L61L23-V57 HydrophobicContact CD1-CG1 3.88Å; I53-V57 HydrophobicContact CB-CB 4.04Å; I53-V57 HydrophobicContact CB-CG1 4.1Å; I53-V57 HydrophobicContact CB-CG2 4.31Å; I53-V57 HydrophobicContact CD1-CG1 4.44Å; I53-V57 HydrophobicContact CG2-CB 4.3Å; I53-V57 HydrophobicContact CG2-CG1 3.93Å; I53-V57 HydrophobicContact CG2-CG2 4.36Å; G54-V57 PolarHBondContact O-N 2.89Å; H55-V57 VanDerWaalsContact C-N 3.33Å; H55-V57 PolarHBondContact O-N 3.41Å; V57-A59 VanDerWaalsContact C-N 3.34Å; V57-A59 PolarHBondContact O-N 2.92Å; V57-S60 PolarHBondContact O-N 3.48Å; V57-S60 VanDerWaalsContact O-N 3.15Å; V57-L61 WeakPolarHBondContact O-CB 3.43Å; V57-L61 PolarHBondContact O-N 2.9Å
58V98.4Very high97.3Very high0 Ų065 Ų650%036%0.36CS..Hα-helixtrans-57.9-46.8176.4-179.50000110.9L40 I53 G54 H55 S60 L61 K62 L71 L73 M87 A90L40-V58 HydrophobicContact CD2-CG1 4.44Å; L40-V58 HydrophobicContact CD2-CG2 4.07Å; I53-V58 HydrophobicContact CD1-CG2 4.39Å; G54-V58 PolarHBondContact O-N 2.76Å; H55-V58 PolarHBondContact O-N 2.94Å; V58-S60 VanDerWaalsContact C-N 3.29Å; V58-S60 PolarHBondContact O-N 2.94Å; V58-L61 PolarHBondContact O-N 2.95Å; V58-K62 WeakPolarHBondContact O-CB 3.47Å; V58-K62 PolarHBondContact O-N 3.45Å; V58-L71 HydrophobicContact CG1-CD1 4.09Å; V58-L73 HydrophobicContact CG1-CD1 4.37Å; V58-L73 HydrophobicContact CG1-CD2 4.23Å; V58-L73 HydrophobicContact CG2-CD1 4.49Å; V58-L73 HydrophobicContact CG2-CD2 4.34Å; V58-M87 HydrophobicContact CG2-SD 4.41Å; V58-A90 HydrophobicContact CB-CB 3.92Å; V58-A90 HydrophobicContact CG1-CB 3.9Å
59A98.4Very high97.2Very high28 Ų2865.1 Ų65.123%0.23136%0.361CS..Hα-helixtrans-63-36.2178.100000112.4H55 V57 K63 A90H55-A59 VanDerWaalsContact O-CB 3.27Å; H55-A59 WeakPolarHBondContact O-CB 3.34Å; H55-A59 PolarHBondContact O-N 2.75Å; V57-A59 VanDerWaalsContact C-N 3.34Å; V57-A59 PolarHBondContact O-N 2.92Å; A59-K63 WeakPolarHBondContact O-CG 3.33Å; A59-A90 WeakPolarHBondContact CA-O 3.38Å; A59-A90 HydrophobicContact CB-CB 3.86Å
60S97.8Very high97.3Very high61 Ų6163.4 Ų63.443%0.42734%0.344SS..Hα-helixtrans-71.3-42.5176.9-60.30000111.2P56 V57 V58 H64P56-S60 WeakPolarHBondContact O-CB 3.44Å; P56-S60 PolarHBondContact O-N 2.79Å; P56-S60 VanDerWaalsContact O-N 3.09Å; P56-S60 PolarHBondContact O-OG 2.79Å; V57-S60 PolarHBondContact O-N 3.48Å; V57-S60 VanDerWaalsContact O-N 3.15Å; V58-S60 VanDerWaalsContact C-N 3.29Å; V58-S60 PolarHBondContact O-N 2.94Å; S60-H64 PolarHBondContact O-CE1 3.28Å; S60-H64 PolarHBondContact O-ND1 3.5Å
61L97.1Very high97.4Very high8 Ų861.2 Ų61.24%0.04233%0.332CS..Hα-helixtrans-63-48.1176.3178.559.8000111.2I15 L23 A24 C27 L40 V57 V58 K63 H64 L65I15-L61 HydrophobicContact CD1-CD2 4.26Å; L23-L61 HydrophobicContact CB-CD1 4.17Å; A24-L61 HydrophobicContact CB-CD1 4.3Å; C27-L61 HydrophobicContact CB-CD1 4.09Å; L40-L61 HydrophobicContact CD2-CD2 4.03Å; V57-L61 WeakPolarHBondContact O-CB 3.43Å; V57-L61 PolarHBondContact O-N 2.9Å; V58-L61 PolarHBondContact O-N 2.95Å; L61-K63 PolarHBondContact O-N 3.28Å; L61-K63 VanDerWaalsContact O-N 3.09Å; L61-H64 PolarHBondContact O-N 2.97Å; L61-L65 HydrophobicContact CD1-CD1 4.23Å; L61-L65 HydrophobicContact CD1-CD2 4.39Å; L61-L65 HydrophobicContact CD1-CG 4.26Å; L61-L65 HydrophobicContact CD2-CD1 4.37Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 HydrophobicContact CG-CG 4.29Å; L61-L65 PolarHBondContact O-N 2.77Å
62K97.2Very high97.4Very high41 Ų4155.3 Ų55.318%0.17830%0.302CS..Hα-helixtrans-57.4-29.6-177-174.856.7170.9171.50113.4V58 H64 L65 P66 S67 A69 L71V58-K62 WeakPolarHBondContact O-CB 3.47Å; V58-K62 PolarHBondContact O-N 3.45Å; K62-H64 PolarHBondContact O-N 2.91Å; K62-L65 PolarHBondContact O-N 3.33Å; K62-P66 PolarHBondContact NZ-O 2.92Å; K62-S67 PolarHBondContact NZ-O 2.81Å; K62-A69 PolarHBondContact NZ-O 2.75Å; K62-L71 HydrophobicContact CB-CD1 4.25Å; K62-L71 HydrophobicContact CD-CD1 3.85Å; K62-L71 HydrophobicContact CD-CG 4.44Å; K62-L71 HydrophobicContact CG-CD1 4.41Å
63K96.8Very high97.5Very high166 Ų16653.7 Ų53.772%0.72229%0.292SS*.THydrogen-bonded Turntrans-64.3-24.4175.3-68.5167.7-172.5174.50113.9A59 L61A59-K63 WeakPolarHBondContact O-CG 3.33Å; L61-K63 PolarHBondContact O-N 3.28Å; L61-K63 VanDerWaalsContact O-N 3.09Å
64H96.8Very high97.5Very high129 Ų12952.6 Ų52.660%0.59729%0.286SS*.THydrogen-bonded Turntrans-99.4-5.7-178.2-59.688000112.5A24 S60 L61 K62A24-H64 HydrophobicContact CB-CB 3.87Å; S60-H64 PolarHBondContact O-CE1 3.28Å; S60-H64 PolarHBondContact O-ND1 3.5Å; L61-H64 PolarHBondContact O-N 2.97Å; K62-H64 PolarHBondContact O-N 2.91Å
65L97.2Very high97.6Very high15 Ų1551.4 Ų51.48%0.07927%0.274CS..SBendtrans-99.7155.3-177.7-63.7-179.4000111.7C27 L31 L38 L61 K62 S67 A69 L71C27-L65 HydrophobicContact CB-CD1 4.37Å; C27-L65 HydrophobicContact CB-CD2 3.56Å; L31-L65 HydrophobicContact CD1-CD2 4.14Å; L38-L65 HydrophobicContact CD1-CD1 3.63Å; L38-L65 HydrophobicContact CD1-CD2 4.36Å; L61-L65 HydrophobicContact CD1-CD1 4.23Å; L61-L65 HydrophobicContact CD1-CD2 4.39Å; L61-L65 HydrophobicContact CD1-CG 4.26Å; L61-L65 HydrophobicContact CD2-CD1 4.37Å; L61-L65 HydrophobicContact CG-CD1 3.85Å; L61-L65 HydrophobicContact CG-CG 4.29Å; L61-L65 PolarHBondContact O-N 2.77Å; K62-L65 PolarHBondContact O-N 3.33Å; L65-S67 PolarHBondContact O-N 2.93Å; L65-A69 HydrophobicContact CB-CB 4.03Å; L65-A69 HydrophobicContact CD1-CB 4.44Å; L65-L71 HydrophobicContact CD1-CD2 3.87Å
66P96.1Very high97.6Very high65 Ų6548.7 Ų48.742%0.42226%0.262SS..  trans-50.8141.8168.6-26.134.5000111.3L31 K62 K68 A69L31-P66 HydrophobicContact CD1-CG 4.35Å; K62-P66 PolarHBondContact NZ-O 2.92Å; P66-K68 PolarHBondContact O-N 2.95Å; P66-K68 VanDerWaalsContact O-N 3.1Å; P66-A69 WeakPolarHBondContact O-CB 3.36Å; P66-A69 PolarHBondContact O-N 2.94Å
67S93.9Very high97.7Very high110 Ų11045.2 Ų45.277%0.76924%0.239SC*.THydrogen-bonded Turntrans-54.9-36.4-178.657.50000112.4K62 L65 A69K62-S67 PolarHBondContact NZ-O 2.81Å; L65-S67 PolarHBondContact O-N 2.93Å; S67-A69 VanDerWaalsContact C-N 3.34Å; S67-A69 PolarHBondContact O-N 3.27Å
68K94.8Very high97.7Very high194 Ų19444 Ų4484%0.84323%0.233SC*.THydrogen-bonded Turntrans-79.6-5.2178.4-62.5-175.7179.4-179.40115.1P66 F70P66-K68 PolarHBondContact O-N 2.95Å; P66-K68 VanDerWaalsContact O-N 3.1Å; K68-F70 PolarHBondContact O-N 3.16Å; K68-F70 VanDerWaalsContact O-N 3.13Å
69A98Very high97.7Very high7 Ų748.4 Ų48.46%0.05826%0.257CS..  trans-58.8119.7177.700000109.7L31 K62 L65 P66 S67L31-A69 HydrophobicContact CD1-CB 3.85Å; K62-A69 PolarHBondContact NZ-O 2.75Å; L65-A69 HydrophobicContact CB-CB 4.03Å; L65-A69 HydrophobicContact CD1-CB 4.44Å; P66-A69 WeakPolarHBondContact O-CB 3.36Å; P66-A69 PolarHBondContact O-N 2.94Å; S67-A69 VanDerWaalsContact C-N 3.34Å; S67-A69 PolarHBondContact O-N 3.27Å
70F98.6Very high97.7Very high64 Ų6447.1 Ų47.128%0.28125%0.246SC..  trans-81.6120.6178.1-170-82.7000109.2Y37 L38 K68 D72 Q94 K118Y37-F70 HydrophobicContact CG-CD1 4.47Å; L38-F70 PolarHBondContact N-O 2.7Å; K68-F70 PolarHBondContact O-N 3.16Å; K68-F70 VanDerWaalsContact O-N 3.13Å; F70-D72 HydrophobicContact CD1-CB 4.43Å; F70-D72 HydrophobicContact CE1-CB 4.15Å; F70-Q94 HydrophobicContact CE1-CB 3.7Å; F70-Q94 HydrophobicContact CZ-CB 3.63Å; F70-K118 HydrophobicContact CE2-CG 4.48Å; F70-K118 HydrophobicContact CZ-CG 4.46Å
71L98.8Very high97.7Very high0 Ų045.5 Ų45.50%023%0.231CC..EExtended strand (participates in β ladder)trans-104.8108.3177.4-58.4-172.4000109L38 L40 V58 K62 L65 L73 S93 Q94L38-L71 HydrophobicContact CB-CD2 4.04Å; L38-L71 HydrophobicContact CD1-CD2 3.97Å; L40-L71 HydrophobicContact CD1-CD2 4.16Å; V58-L71 HydrophobicContact CG1-CD1 4.09Å; K62-L71 HydrophobicContact CB-CD1 4.25Å; K62-L71 HydrophobicContact CD-CD1 3.85Å; K62-L71 HydrophobicContact CD-CG 4.44Å; K62-L71 HydrophobicContact CG-CD1 4.41Å; L65-L71 HydrophobicContact CD1-CD2 3.87Å; L71-L73 HydrophobicContact CB-CD2 4.33Å; L71-S93 PolarHBondContact N-OG 3.08Å; L71-S93 WeakPolarHBondContact O-CB 3.34Å; L71-S93 PolarHBondContact O-N 2.99Å; L71-Q94 PolarHBondContact O-N 3.18Å
72D98.8Very high97.8Very high0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-88.2111.5168.7176.141.3000108.8Y37 L38 H39 L40 F70 Q94 T96Y37-D72 HydrophobicContact CD2-CB 3.76Å; Y37-D72 HydrophobicContact CE2-CB 4.1Å; L38-D72 PolarHBondContact O-N 2.96Å; H39-D72 IonicContact CE1-OD2 3.96Å; H39-D72 PolarHBondContact CE1-OD2 3.28Å; H39-D72 IonicContact CG-OD2 2.7Å; H39-D72 IonicContact ND1-OD2 2.87Å; H39-D72 PolarHBondContact ND1-OD2 2.71Å; L40-D72 PolarHBondContact N-O 3.37Å; F70-D72 HydrophobicContact CD1-CB 4.43Å; F70-D72 HydrophobicContact CE1-CB 4.15Å; D72-Q94 PolarHBondContact OD1-NE2 2.86Å; D72-T96 PolarHBondContact OD1-OG1 3.19Å
73L98.9Very high97.9Very high0 Ų051.5 Ų51.50%026%0.255CS..EExtended strand (participates in β ladder)trans-95.8112.4178-57.5-162.1000109.3L40 V58 L71 M75 M87 A92 Q94 T96L40-L73 HydrophobicContact CB-CD2 3.61Å; L40-L73 HydrophobicContact CD2-CD2 3.82Å; L40-L73 HydrophobicContact CG-CD2 4.2Å; V58-L73 HydrophobicContact CG1-CD1 4.37Å; V58-L73 HydrophobicContact CG1-CD2 4.23Å; V58-L73 HydrophobicContact CG2-CD1 4.49Å; V58-L73 HydrophobicContact CG2-CD2 4.34Å; L71-L73 HydrophobicContact CB-CD2 4.33Å; L73-M75 HydrophobicContact CB-CG 4.24Å; L73-M75 HydrophobicContact CB-SD 3.83Å; L73-M75 HydrophobicContact CD1-SD 4.33Å; L73-M75 PolarHBondContact O-N 3.41Å; L73-M87 HydrophobicContact CD1-CB 3.91Å; L73-M87 HydrophobicContact CD1-CE 4.36Å; L73-M87 HydrophobicContact CD1-CG 3.84Å; L73-M87 HydrophobicContact CD1-SD 3.41Å; L73-M87 WeakPolarHBondContact CD1-SD 3.38Å; L73-A92 HydrophobicContact CD1-CB 3.45Å; L73-A92 VanDerWaalsContact CD1-CB 3.45Å; L73-A92 HydrophobicContact CG-CB 3.76Å; L73-Q94 PolarHBondContact N-O 2.82Å; L73-T96 WeakPolarHBondContact O-CB 3.4Å; L73-T96 PolarHBondContact O-N 3.47Å
74H98.9Very high98Very high0 Ų043.7 Ų43.70%022%0.222CC..EExtended strand (participates in β ladder)trans-88.5103.2173.1179.3-154.6000110H39 L40 D41 V42 M76 H98 L143 M145 D179H39-H74 VanDerWaalsContact CE1-CB 3.45Å; H39-H74 WeakPolarHBondContact CE1-CB 3.25Å; H39-H74 AromaticContact CE1-CG 3.94Å; H39-H74 VanDerWaalsContact NE2-CB 3.33Å; H39-H74 WeakPolarHBondContact NE2-CB 3.45Å; H39-H74 AromaticContact NE2-CG 3.75Å; H39-H74 AromaticContact NE2-ND1 3.51Å; L40-H74 PolarHBondContact O-N 3.34Å; D41-H74 IonicContact OD1-ND1 3.98Å; V42-H74 PolarHBondContact N-O 2.92Å; H74-M76 VanDerWaalsContact ND1-CE 3.32Å; H74-M76 WeakPolarHBondContact ND1-CE 3.11Å; H74-M76 PolarHBondContact O-N 2.94Å; H74-H98 AromaticContact CD2-NE2 3.58Å; H74-H98 AromaticContact CE1-NE2 3.83Å; H74-H98 AromaticContact NE2-CD2 3.89Å; H74-H98 AromaticContact NE2-CE1 3.62Å; H74-H98 AromaticContact NE2-NE2 2.89Å; H74-H98 PolarHBondContact NE2-NE2 3.47Å; H74-L143 WeakPolarHBondContact CD2-CD2 3.49Å; H74-L143 WeakPolarHBondContact NE2-CD2 3.45Å; H74-M145 PolarHBondContact CE1-SD 3.41Å; H74-D179 IonicContact CE1-OD2 3.71Å; H74-D179 IonicContact ND1-OD2 3.65Å
75M98.9Very high98.1Very high0 Ų044.3 Ų44.30%023%0.225CC..EExtended strand (participates in β ladder)trans-93.984.3-167.4-59.9-63.4-49.300109.9V42 L73 V77 W83 M87 Y95 T96V42-M75 HydrophobicContact CB-CE 4.05Å; V42-M75 HydrophobicContact CB-SD 3.69Å; V42-M75 HydrophobicContact CG1-CE 3.55Å; V42-M75 HydrophobicContact CG1-SD 3.9Å; V42-M75 HydrophobicContact CG2-SD 3.93Å; L73-M75 HydrophobicContact CB-CG 4.24Å; L73-M75 HydrophobicContact CB-SD 3.83Å; L73-M75 HydrophobicContact CD1-SD 4.33Å; L73-M75 PolarHBondContact O-N 3.41Å; M75-V77 HydrophobicContact CB-CG2 4.17Å; M75-V77 HydrophobicContact CE-CG1 4.1Å; M75-V77 HydrophobicContact CE-CG2 3.89Å; M75-V77 PolarHBondContact O-N 2.97Å; M75-V77 VanDerWaalsContact O-N 3.12Å; M75-W83 HydrophobicContact CE-CB 4.15Å; M75-M87 HydrophobicContact CE-CE 3.66Å; M75-M87 HydrophobicContact CE-CG 4.12Å; M75-M87 HydrophobicContact SD-CE 3.89Å; M75-M87 HydrophobicContact SD-CG 4.15Å; M75-Y95 HydrophobicContact CB-CD1 4.47Å; M75-Y95 HydrophobicContact CB-CE1 3.88Å; M75-Y95 HydrophobicContact CE-CE2 3.87Å; M75-Y95 WeakPolarHBondContact CE-OH 3.45Å; M75-Y95 HydrophobicContact CG-CD1 3.9Å; M75-Y95 HydrophobicContact CG-CD2 3.93Å; M75-Y95 HydrophobicContact CG-CE1 3.6Å; M75-Y95 HydrophobicContact CG-CE2 3.63Å; M75-Y95 HydrophobicContact CG-CG 4.05Å; M75-Y95 VanDerWaalsContact CG-CZ 3.43Å; M75-Y95 HydrophobicContact SD-CD2 4.34Å; M75-Y95 HydrophobicContact SD-CE2 3.89Å; M75-T96 WeakPolarHBondContact CB-O 3.24Å; M75-T96 PolarHBondContact N-O 2.99Å
76M98.8Very high98.1Very high1 Ų147 Ų471%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-85.462.9172.5-71.1173.4-81.400110.4D41 V42 M43 F47 V48 H74 P149D41-M76 HydrophobicContact CB-CE 3.68Å; D41-M76 WeakPolarHBondContact OD1-CE 3.24Å; V42-M76 CarbonylContact O-C 3.01Å; V42-M76 WeakPolarHBondContact O-CA 3.31Å; V42-M76 WeakPolarHBondContact O-CB 3.33Å; V42-M76 PolarHBondContact O-N 3.35Å; M43-M76 HydrophobicContact CE-CE 3.26Å; M43-M76 HydrophobicContact CE-SD 3.83Å; M43-M76 HydrophobicContact CG-CB 4.05Å; M43-M76 HydrophobicContact CG-CE 3.71Å; M43-M76 HydrophobicContact CG-SD 4.27Å; M43-M76 HydrophobicContact SD-CE 4.25Å; F47-M76 VanDerWaalsContact CD1-C 3.47Å; F47-M76 HydrophobicContact CD1-CB 3.98Å; F47-M76 HydrophobicContact CE1-CB 4.39Å; F47-M76 HydrophobicContact CE1-CG 4.49Å; V48-M76 HydrophobicContact CG1-CB 4.03Å; V48-M76 HydrophobicContact CG1-CG 4.34Å; V48-M76 HydrophobicContact CG1-SD 4.28Å; V48-M76 HydrophobicContact CG2-CB 3.84Å; H74-M76 VanDerWaalsContact ND1-CE 3.32Å; H74-M76 WeakPolarHBondContact ND1-CE 3.11Å; H74-M76 PolarHBondContact O-N 2.94Å; M76-P149 HydrophobicContact CG-CB 4.19Å; M76-P149 HydrophobicContact SD-CB 3.49Å; M76-P149 WeakPolarHBondContact SD-CB 3.49Å
77V98.8Very high98.3Very high3 Ų344 Ų442%0.01822%0.22CC..  trans-133.7149.1-172.4-56.70000111.6V42 D44 F47 M75 P80 W83 S101V42-V77 HydrophobicContact CG1-CG1 3.91Å; D44-V77 HydrophobicContact CB-CB 4.09Å; D44-V77 HydrophobicContact CB-CG1 3.84Å; D44-V77 WeakPolarHBondContact OD2-CA 2.96Å; F47-V77 VanDerWaalsContact CB-C 3.47Å; M75-V77 HydrophobicContact CB-CG2 4.17Å; M75-V77 HydrophobicContact CE-CG1 4.1Å; M75-V77 HydrophobicContact CE-CG2 3.89Å; M75-V77 PolarHBondContact O-N 2.97Å; M75-V77 VanDerWaalsContact O-N 3.12Å; V77-P80 HydrophobicContact CG2-CB 4.42Å; V77-W83 HydrophobicContact CG2-CG 4.33Å; V77-S101 WeakPolarHBondContact O-CB 3.41Å; V77-S101 PolarHBondContact O-OG 2.96Å
78S98.5Very high98.5Very high32 Ų3242 Ų4222%0.22420%0.197CC..SBendtrans-75.3143.7170.3-66.40000110.7D44 H46 F47 K82 W83D44-S78 PolarHBondContact OD2-N 2.75Å; H46-S78 WeakPolarHBondContact CB-OG 3.02Å; F47-S78 PolarHBondContact N-OG 2.9Å; S78-K82 VanDerWaalsContact O-CE 3.24Å; S78-K82 WeakPolarHBondContact O-CE 3.22Å; S78-K82 PolarHBondContact O-NZ 3.18Å; S78-W83 PolarHBondContact O-NE1 3.06Å
79D98.3Very high98.7Very high93 Ų9336.9 Ų36.950%0.49719%0.191SC..SBendtrans51.760.7-177.2-38.7-59000112E81 K82 S101D79-E81 VanDerWaalsContact C-OE2 3.29Å; D79-E81 PolarHBondContact O-N 3.2Å; D79-K82 HydrophobicContact CB-CD 3.91Å; D79-K82 VanDerWaalsContact O-CG 3.29Å; D79-K82 WeakPolarHBondContact O-CG 3.5Å; D79-K82 PolarHBondContact O-N 2.92Å; D79-K82 VanDerWaalsContact O-N 3.09Å; D79-K82 IonicContact OD2-NZ 3.77Å; D79-K82 PolarHBondContact OD2-NZ 2.76Å; D79-S101 PolarHBondContact N-O 2.49Å
80P98.8Very high98.7Very high0 Ų036.8 Ų36.80%019%0.19CC..G310 helixtrans-49.6-33.4-174.120.6-33.4000113.6V77 K82 W83 Y95 F97 S101 T102V77-P80 HydrophobicContact CG2-CB 4.42Å; P80-K82 PolarHBondContact O-N 3.26Å; P80-W83 PolarHBondContact O-N 3.46Å; P80-Y95 HydrophobicContact CB-CE1 4.11Å; P80-Y95 PolarHBondContact O-OH 2.75Å; P80-F97 HydrophobicContact CB-CB 3.75Å; P80-F97 HydrophobicContact CB-CG 4.36Å; P80-F97 HydrophobicContact CG-CB 4.09Å; P80-F97 HydrophobicContact CG-CD2 3.97Å; P80-F97 HydrophobicContact CG-CG 4.31Å; P80-S101 WeakPolarHBondContact CD-O 3.46Å; P80-S101 WeakPolarHBondContact CD-OG 3.33Å; P80-S101 WeakPolarHBondContact CG-OG 3.47Å; P80-T102 HydrophobicContact CG-CG2 4.2Å
81E98.7Very high98.7Very high27 Ų2734.8 Ų34.813%0.12619%0.188CC..G310 helixtrans-54.4-27.9-179.7-60.595.9143.800114.7D79 W83 T102 C108 K111D79-E81 VanDerWaalsContact C-OE2 3.29Å; D79-E81 PolarHBondContact O-N 3.2Å; E81-W83 VanDerWaalsContact C-N 3.3Å; E81-T102 PolarHBondContact OE1-OG1 2.96Å; E81-C108 HydrophobicContact CG-CB 3.71Å; E81-K111 HydrophobicContact CB-CD 3.89Å; E81-K111 HydrophobicContact CG-CD 4.26Å; E81-K111 PolarHBondContact O-NZ 3.44Å
82K98.2Very high98.7Very high102 Ų10235.1 Ų35.144%0.44319%0.19SC..G310 helixtrans-78.9-15.2-179.279.4-163.6166-162.80113.2S78 D79 P80S78-K82 VanDerWaalsContact O-CE 3.24Å; S78-K82 WeakPolarHBondContact O-CE 3.22Å; S78-K82 PolarHBondContact O-NZ 3.18Å; D79-K82 HydrophobicContact CB-CD 3.91Å; D79-K82 VanDerWaalsContact O-CG 3.29Å; D79-K82 WeakPolarHBondContact O-CG 3.5Å; D79-K82 PolarHBondContact O-N 2.92Å; D79-K82 VanDerWaalsContact O-N 3.09Å; D79-K82 IonicContact OD2-NZ 3.77Å; D79-K82 PolarHBondContact OD2-NZ 2.76Å; P80-K82 PolarHBondContact O-N 3.26Å
83W98.7Very high98.7Very high74 Ų7436.6 Ų36.628%0.2820%0.201SC..THydrogen-bonded Turntrans-102.1-13.1-175.9-48.5108.7000113.6M75 V77 S78 P80 E81 E85 N86 M87 Y95M75-W83 HydrophobicContact CE-CB 4.15Å; V77-W83 HydrophobicContact CG2-CG 4.33Å; S78-W83 PolarHBondContact O-NE1 3.06Å; P80-W83 PolarHBondContact O-N 3.46Å; E81-W83 VanDerWaalsContact C-N 3.3Å; W83-E85 PolarHBondContact O-N 3.43Å; W83-N86 PolarHBondContact O-N 3.05Å; W83-M87 WeakPolarHBondContact O-CB 3.17Å; W83-M87 WeakPolarHBondContact O-CG 3.29Å; W83-M87 PolarHBondContact O-N 3.09Å; W83-Y95 HydrophobicContact CB-CE2 4.46Å
84V98.9Very high98.7Very high2 Ų237 Ų371%0.01220%0.202CC..Hα-helixtrans-54.4-53.8-172.5175.50000112.6N86 M87 K88 Y95 K111 I112 A115 M117V84-N86 PolarHBondContact O-N 3.23Å; V84-M87 PolarHBondContact O-N 3.04Å; V84-K88 PolarHBondContact O-N 3.17Å; V84-Y95 HydrophobicContact CG2-CE1 4.36Å; V84-Y95 HydrophobicContact CG2-CE2 4.25Å; V84-K111 HydrophobicContact CG1-CB 4.38Å; V84-K111 HydrophobicContact CG2-CB 4.46Å; V84-I112 HydrophobicContact CG1-CG1 4.13Å; V84-I112 HydrophobicContact CG2-CG1 3.8Å; V84-A115 HydrophobicContact CG1-CB 3.71Å; V84-M117 HydrophobicContact CG1-CE 3.61Å; V84-M117 WeakPolarHBondContact O-CE 3.39Å
85E98.8Very high98.7Very high141 Ų14137 Ų3766%0.65920%0.202SC*.Hα-helixtrans-63-44.7-177-68.5175.4-167.300112W83 M87 K88 A89W83-E85 PolarHBondContact O-N 3.43Å; E85-M87 VanDerWaalsContact C-N 3.31Å; E85-M87 PolarHBondContact O-N 3Å; E85-K88 PolarHBondContact O-N 3.48Å; E85-A89 WeakPolarHBondContact O-CB 3.43Å; E85-A89 PolarHBondContact O-N 2.95Å
86N98.7Very high98.7Very high71 Ų7137 Ų3738%0.3820%0.202SC..Hα-helixtrans-63.9-37.5178.4-72.9-41.6000111.8H55 W83 V84 A89 A90H55-N86 HydrophobicContact CB-CB 4.12Å; W83-N86 PolarHBondContact O-N 3.05Å; V84-N86 PolarHBondContact O-N 3.23Å; N86-A89 PolarHBondContact O-N 3.38Å; N86-A90 WeakPolarHBondContact O-CB 3.48Å; N86-A90 PolarHBondContact O-N 2.91Å
87M98.8Very high98.7Very high3 Ų336.9 Ų36.92%0.01520%0.202CC..Hα-helixtrans-71.7-39.6176.7-74.1-52.9-174.700112.8V42 H55 V58 L73 M75 W83 V84 E85 A89 A90 G91 A92 Y95V42-M87 HydrophobicContact CB-CE 4.35Å; V42-M87 HydrophobicContact CG1-CE 3.73Å; V42-M87 HydrophobicContact CG2-CE 3.86Å; H55-M87 HydrophobicContact CB-CE 4.12Å; H55-M87 HydrophobicContact CB-SD 3.57Å; H55-M87 VanDerWaalsContact CB-SD 3.57Å; V58-M87 HydrophobicContact CG2-SD 4.41Å; L73-M87 HydrophobicContact CD1-CB 3.91Å; L73-M87 HydrophobicContact CD1-CE 4.36Å; L73-M87 HydrophobicContact CD1-CG 3.84Å; L73-M87 HydrophobicContact CD1-SD 3.41Å; L73-M87 WeakPolarHBondContact CD1-SD 3.38Å; M75-M87 HydrophobicContact CE-CE 3.66Å; M75-M87 HydrophobicContact CE-CG 4.12Å; M75-M87 HydrophobicContact SD-CE 3.89Å; M75-M87 HydrophobicContact SD-CG 4.15Å; W83-M87 WeakPolarHBondContact O-CB 3.17Å; W83-M87 WeakPolarHBondContact O-CG 3.29Å; W83-M87 PolarHBondContact O-N 3.09Å; V84-M87 PolarHBondContact O-N 3.04Å; E85-M87 VanDerWaalsContact C-N 3.31Å; E85-M87 PolarHBondContact O-N 3Å; M87-A89 VanDerWaalsContact C-N 3.34Å; M87-A89 PolarHBondContact O-N 3.08Å; M87-A90 WeakPolarHBondContact O-CB 3.12Å; M87-A90 PolarHBondContact O-N 2.98Å; M87-G91 PolarHBondContact O-N 3.25Å; M87-A92 HydrophobicContact CB-CB 4.24Å; M87-A92 WeakPolarHBondContact O-CB 3.39Å; M87-A92 PolarHBondContact O-N 2.8Å; M87-A92 VanDerWaalsContact O-N 3.08Å; M87-Y95 HydrophobicContact CB-CD2 3.9Å; M87-Y95 HydrophobicContact CB-CE2 3.91Å; M87-Y95 HydrophobicContact CG-CD2 4.24Å; M87-Y95 HydrophobicContact CG-CE2 3.83Å
88K98.7Very high98.7Very high69 Ų6936.8 Ų36.830%0.320%0.201SC..Hα-helixtrans-59.3-47.4170.6175.659169.3-161.20111V84 E85 A90 G91 A115 D116 M117V84-K88 PolarHBondContact O-N 3.17Å; E85-K88 PolarHBondContact O-N 3.48Å; K88-A90 PolarHBondContact O-N 2.95Å; K88-G91 PolarHBondContact O-N 3.22Å; K88-A115 HydrophobicContact CB-CB 4.14Å; K88-A115 WeakPolarHBondContact CD-O 3.18Å; K88-A115 WeakPolarHBondContact CE-O 3.21Å; K88-A115 HydrophobicContact CG-CB 4.33Å; K88-A115 WeakPolarHBondContact CG-O 3.5Å; K88-A115 PolarHBondContact NZ-O 3.42Å; K88-D116 PolarHBondContact NZ-O 3.16Å; K88-D116 IonicContact NZ-OD2 3.39Å; K88-D116 PolarHBondContact NZ-OD2 3.32Å; K88-M117 HydrophobicContact CB-CE 3.99Å; K88-M117 HydrophobicContact CB-CG 4.34Å; K88-M117 HydrophobicContact CB-SD 3.89Å; K88-M117 HydrophobicContact CD-CG 3.79Å; K88-M117 HydrophobicContact CD-SD 4.32Å
89A98.6Very high98.7Very high86 Ų8636 Ų3671%0.71119%0.194SC*.Hα-helixtrans-61.2-31.6177.600000112.6E85 N86 M87 G91E85-A89 WeakPolarHBondContact O-CB 3.43Å; E85-A89 PolarHBondContact O-N 2.95Å; N86-A89 PolarHBondContact O-N 3.38Å; M87-A89 VanDerWaalsContact C-N 3.34Å; M87-A89 PolarHBondContact O-N 3.08Å; A89-G91 PolarHBondContact O-N 2.96Å
90A98.5Very high98.7Very high5 Ų534.5 Ų34.54%0.04118%0.184CC..Hα-helixtrans-74.1-10.4174.100000114.4H55 V58 A59 N86 M87 K88H55-A90 HydrophobicContact CB-CB 3.94Å; H55-A90 WeakPolarHBondContact O-CB 3.31Å; V58-A90 HydrophobicContact CB-CB 3.92Å; V58-A90 HydrophobicContact CG1-CB 3.9Å; A59-A90 WeakPolarHBondContact CA-O 3.38Å; A59-A90 HydrophobicContact CB-CB 3.86Å; N86-A90 WeakPolarHBondContact O-CB 3.48Å; N86-A90 PolarHBondContact O-N 2.91Å; M87-A90 WeakPolarHBondContact O-CB 3.12Å; M87-A90 PolarHBondContact O-N 2.98Å; K88-A90 PolarHBondContact O-N 2.95Å
91G98Very high98.7Very high22 Ų2235 Ų3523%0.22719%0.188CC..THydrogen-bonded Turntrans96.322.7176.100000114.9M87 K88 A89M87-G91 PolarHBondContact O-N 3.25Å; K88-G91 PolarHBondContact O-N 3.22Å; A89-G91 PolarHBondContact O-N 2.96Å
92A98.7Very high98.7Very high6 Ų634.6 Ų34.65%0.0519%0.187CC..  trans-54.2138.3168.700000111.4L73 M87 M117L73-A92 HydrophobicContact CD1-CB 3.45Å; L73-A92 VanDerWaalsContact CD1-CB 3.45Å; L73-A92 HydrophobicContact CG-CB 3.76Å; M87-A92 HydrophobicContact CB-CB 4.24Å; M87-A92 WeakPolarHBondContact O-CB 3.39Å; M87-A92 PolarHBondContact O-N 2.8Å; M87-A92 VanDerWaalsContact O-N 3.08Å; A92-M117 HydrophobicContact CB-SD 3.56Å; A92-M117 VanDerWaalsContact CB-SD 3.56Å
93S98.7Very high98.6Very high32 Ų3239.3 Ų39.322%0.22421%0.211CC..SBendtrans-98-41.4173.9-51.50000110.8L71 K118L71-S93 PolarHBondContact N-OG 3.08Å; L71-S93 WeakPolarHBondContact O-CB 3.34Å; L71-S93 PolarHBondContact O-N 2.99Å; S93-K118 PolarHBondContact O-N 2.79Å
94Q98.9Very high98.6Very high7 Ų740 Ų403%0.03322%0.22CC..EExtended strand (participates in β ladder)trans-127.5141.1174.5-178.8167.6-80.100110.1F70 L71 D72 L73 T96 K118F70-Q94 HydrophobicContact CE1-CB 3.7Å; F70-Q94 HydrophobicContact CZ-CB 3.63Å; L71-Q94 PolarHBondContact O-N 3.18Å; D72-Q94 PolarHBondContact OD1-NE2 2.86Å; L73-Q94 PolarHBondContact N-O 2.82Å; Q94-T96 PolarHBondContact NE2-OG1 3.04Å; Q94-K118 WeakPolarHBondContact CA-O 3.5Å; Q94-K118 HydrophobicContact CB-CB 3.79Å; Q94-K118 HydrophobicContact CG-CB 3.85Å
95Y98.9Very high98.6Very high0 Ų040.3 Ų40.30%022%0.222CC..EExtended strand (participates in β ladder)trans-118.3108.8175.5-169.7-73.4000108M75 P80 W83 V84 M87 F97 I112 M117 K118 G120M75-Y95 HydrophobicContact CB-CD1 4.47Å; M75-Y95 HydrophobicContact CB-CE1 3.88Å; M75-Y95 HydrophobicContact CE-CE2 3.87Å; M75-Y95 WeakPolarHBondContact CE-OH 3.45Å; M75-Y95 HydrophobicContact CG-CD1 3.9Å; M75-Y95 HydrophobicContact CG-CD2 3.93Å; M75-Y95 HydrophobicContact CG-CE1 3.6Å; M75-Y95 HydrophobicContact CG-CE2 3.63Å; M75-Y95 HydrophobicContact CG-CG 4.05Å; M75-Y95 VanDerWaalsContact CG-CZ 3.43Å; M75-Y95 HydrophobicContact SD-CD2 4.34Å; M75-Y95 HydrophobicContact SD-CE2 3.89Å; P80-Y95 HydrophobicContact CB-CE1 4.11Å; P80-Y95 PolarHBondContact O-OH 2.75Å; W83-Y95 HydrophobicContact CB-CE2 4.46Å; V84-Y95 HydrophobicContact CG2-CE1 4.36Å; V84-Y95 HydrophobicContact CG2-CE2 4.25Å; M87-Y95 HydrophobicContact CB-CD2 3.9Å; M87-Y95 HydrophobicContact CB-CE2 3.91Å; M87-Y95 HydrophobicContact CG-CD2 4.24Å; M87-Y95 HydrophobicContact CG-CE2 3.83Å; Y95-F97 HydrophobicContact CD1-CB 4.33Å; Y95-F97 HydrophobicContact CE1-CB 3.92Å; Y95-I112 HydrophobicContact CD1-CD1 3.45Å; Y95-I112 VanDerWaalsContact CD1-CD1 3.45Å; Y95-I112 HydrophobicContact CD1-CG1 3.85Å; Y95-I112 HydrophobicContact CE1-CD1 4.05Å; Y95-I112 HydrophobicContact CE1-CG1 4.43Å; Y95-I112 HydrophobicContact CG-CD1 4.17Å; Y95-I112 HydrophobicContact CG-CG1 4.15Å; Y95-M117 HydrophobicContact CD2-CE 3.93Å; Y95-M117 HydrophobicContact CG-CE 4.22Å; Y95-K118 PolarHBondContact N-O 2.84Å; Y95-G120 PolarHBondContact O-N 3.14Å
96T98.9Very high98.6Very high0 Ų036.2 Ų36.20%020%0.203CC..EExtended strand (participates in β ladder)trans-107.299.3-176-57.10000109.6D72 L73 M75 Q94 G120 M141 L143D72-T96 PolarHBondContact OD1-OG1 3.19Å; L73-T96 WeakPolarHBondContact O-CB 3.4Å; L73-T96 PolarHBondContact O-N 3.47Å; M75-T96 WeakPolarHBondContact CB-O 3.24Å; M75-T96 PolarHBondContact N-O 2.99Å; Q94-T96 PolarHBondContact NE2-OG1 3.04Å; T96-G120 WeakPolarHBondContact CA-O 3.47Å; T96-M141 HydrophobicContact CG2-CE 3.8Å; T96-M141 WeakPolarHBondContact OG1-CE 3.35Å; T96-L143 HydrophobicContact CG2-CB 3.88Å; T96-L143 HydrophobicContact CG2-CD2 3.83Å
97F98.9Very high98.6Very high0 Ų036.9 Ų36.90%020%0.204CC..EExtended strand (participates in β ladder)trans-97.3165.2177.673.7-77.1000111.6P80 Y95 T102 V105 C108 I109 I112 V119 G120 L121 G122P80-F97 HydrophobicContact CB-CB 3.75Å; P80-F97 HydrophobicContact CB-CG 4.36Å; P80-F97 HydrophobicContact CG-CB 4.09Å; P80-F97 HydrophobicContact CG-CD2 3.97Å; P80-F97 HydrophobicContact CG-CG 4.31Å; Y95-F97 HydrophobicContact CD1-CB 4.33Å; Y95-F97 HydrophobicContact CE1-CB 3.92Å; F97-T102 HydrophobicContact CD2-CG2 3.95Å; F97-T102 HydrophobicContact CE2-CG2 3.62Å; F97-V105 HydrophobicContact CE2-CG1 4.08Å; F97-V105 HydrophobicContact CZ-CG1 3.89Å; F97-C108 HydrophobicContact CD2-CB 4.48Å; F97-C108 HydrophobicContact CE1-CB 4.4Å; F97-C108 HydrophobicContact CE2-CB 4.03Å; F97-C108 HydrophobicContact CZ-CB 3.97Å; F97-I109 HydrophobicContact CE1-CG1 3.91Å; F97-I109 HydrophobicContact CZ-CD1 4.48Å; F97-I109 HydrophobicContact CZ-CG1 3.82Å; F97-I112 HydrophobicContact CD1-CD1 3.62Å; F97-I112 HydrophobicContact CE1-CD1 3.87Å; F97-V119 HydrophobicContact CE1-CG1 4.31Å; F97-G120 WeakPolarHBondContact CD1-O 3.43Å; F97-G120 PolarHBondContact N-O 3.28Å; F97-L121 HydrophobicContact CD2-CD1 4.13Å; F97-L121 HydrophobicContact CE1-CD1 4.1Å; F97-L121 HydrophobicContact CE2-CD1 3.65Å; F97-L121 HydrophobicContact CZ-CD1 3.64Å; F97-L121 CarbonylContact O-C 3.57Å; F97-L121 WeakPolarHBondContact O-CA 3.4Å; F97-G122 PolarHBondContact O-N 3.18Å
98H98.9Very high98.6Very high0 Ų036.8 Ų36.80%020%0.203CC..EExtended strand (participates in β ladder)trans-94.5140.2177-78.9-100.7000111.4F47 H74 E100 S101 G122F47-H98 HydrophobicContact CE1-CB 3.73Å; F47-H98 AromaticContact CE1-CD2 3.59Å; F47-H98 AromaticContact CE1-CG 3.52Å; F47-H98 HydrophobicContact CE2-CB 4.2Å; F47-H98 HydrophobicContact CZ-CB 3.3Å; F47-H98 AromaticContact CZ-CG 3.52Å; F47-H98 AromaticContact CZ-ND1 3.99Å; H74-H98 AromaticContact CD2-NE2 3.58Å; H74-H98 AromaticContact CE1-NE2 3.83Å; H74-H98 AromaticContact NE2-CD2 3.89Å; H74-H98 AromaticContact NE2-CE1 3.62Å; H74-H98 AromaticContact NE2-NE2 2.89Å; H74-H98 PolarHBondContact NE2-NE2 3.47Å; H98-E100 WeakPolarHBondContact CB-OE2 3.35Å; H98-E100 IonicContact ND1-OE2 2.7Å; H98-E100 PolarHBondContact O-N 3.36Å; H98-S101 PolarHBondContact O-N 3.02Å; H98-S101 PolarHBondContact O-OG 3.02Å; H98-S101 VanDerWaalsContact O-OG 3.06Å; H98-G122 WeakPolarHBondContact CA-O 3.24Å
99L98.9Very high98.6Very high15 Ų1533.6 Ų33.68%0.07919%0.19CC..G310 helixtrans-53.2-37.8174.6-175.472.6000111.4S101 V105 L121 G122 I123 T127 E131 Y135L99-S101 VanDerWaalsContact C-N 3.26Å; L99-S101 PolarHBondContact O-N 3.28Å; L99-V105 HydrophobicContact CD1-CB 4.45Å; L99-V105 HydrophobicContact CD1-CG1 4.05Å; L99-V105 HydrophobicContact CD1-CG2 3.57Å; L99-L121 HydrophobicContact CB-CD1 4.06Å; L99-L121 HydrophobicContact CD1-CD1 4.35Å; L99-L121 HydrophobicContact CD1-CD2 4.39Å; L99-G122 PolarHBondContact N-O 3.19Å; L99-I123 HydrophobicContact CB-CG2 3.86Å; L99-I123 HydrophobicContact CD2-CG2 4.02Å; L99-T127 HydrophobicContact CD2-CG2 3.99Å; L99-E131 HydrophobicContact CD2-CB 3.65Å; L99-Y135 HydrophobicContact CD1-CD2 3.91Å; L99-Y135 HydrophobicContact CD1-CE2 3.54Å
100E98.7Very high98.6Very high63 Ų6334.1 Ų34.129%0.29418%0.177SC..G310 helixtrans-79.5-3.2-176-51.288.1157.200113.6F47 H98 K124 T127F47-E100 HydrophobicContact CE2-CB 4Å; F47-E100 HydrophobicContact CZ-CB 4.34Å; H98-E100 WeakPolarHBondContact CB-OE2 3.35Å; H98-E100 IonicContact ND1-OE2 2.7Å; H98-E100 PolarHBondContact O-N 3.36Å; E100-K124 VanDerWaalsContact OE1-CB 3.31Å; E100-K124 WeakPolarHBondContact OE1-CB 3.39Å; E100-K124 PolarHBondContact OE1-N 3.34Å; E100-T127 WeakPolarHBondContact OE1-CB 3.47Å; E100-T127 PolarHBondContact OE1-OG1 2.98Å
101S98.6Very high98.6Very high11 Ų1136.5 Ų36.58%0.07719%0.187CC..G310 helixtrans-101.7-1.8-174.380.90000114.9F47 V77 D79 P80 H98 L99F47-S101 VanDerWaalsContact CD2-CB 3.49Å; F47-S101 VanDerWaalsContact CE2-CB 3.46Å; V77-S101 WeakPolarHBondContact O-CB 3.41Å; V77-S101 PolarHBondContact O-OG 2.96Å; D79-S101 PolarHBondContact N-O 2.49Å; P80-S101 WeakPolarHBondContact CD-O 3.46Å; P80-S101 WeakPolarHBondContact CD-OG 3.33Å; P80-S101 WeakPolarHBondContact CG-OG 3.47Å; H98-S101 PolarHBondContact O-N 3.02Å; H98-S101 PolarHBondContact O-OG 3.02Å; H98-S101 VanDerWaalsContact O-OG 3.06Å; L99-S101 VanDerWaalsContact C-N 3.26Å; L99-S101 PolarHBondContact O-N 3.28Å
102T98.4Very high98.7Very high17 Ų1735.4 Ų35.410%0.10418%0.176CC..  trans-138.5146.1177.9173.30000111.9P80 E81 F97 N104 V105 C108P80-T102 HydrophobicContact CG-CG2 4.2Å; E81-T102 PolarHBondContact OE1-OG1 2.96Å; F97-T102 HydrophobicContact CD2-CG2 3.95Å; F97-T102 HydrophobicContact CE2-CG2 3.62Å; T102-N104 VanDerWaalsContact C-N 3.34Å; T102-N104 PolarHBondContact OG1-N 2.83Å; T102-V105 HydrophobicContact CG2-CB 4.49Å; T102-V105 HydrophobicContact CG2-CG2 4.02Å; T102-C108 HydrophobicContact CG2-CB 4.4Å
103E96.8Very high98.7Very high202 Ų20239.5 Ų39.594%0.94419%0.19SC*.SBendtrans-80.7-14.9170.6-61.4-64154.800112.6
104N98Very high98.7Very high87 Ų8745.6 Ų45.647%0.46522%0.215SC..  trans-137.176.6-176.9-166.4-19.3000112T102 M106 H107 C108T102-N104 VanDerWaalsContact C-N 3.34Å; T102-N104 PolarHBondContact OG1-N 2.83Å; N104-M106 VanDerWaalsContact C-N 3.34Å; N104-M106 PolarHBondContact O-N 3.42Å; N104-H107 HydrophobicContact CB-CB 3.96Å; N104-H107 WeakPolarHBondContact O-CB 3.11Å; N104-H107 PolarHBondContact O-N 3.19Å; N104-H107 VanDerWaalsContact O-N 3.08Å; N104-H107 WeakPolarHBondContact OD1-CB 3.37Å; N104-H107 PolarHBondContact OD1-N 3.49Å; N104-H107 VanDerWaalsContact OD1-N 3.1Å; N104-C108 PolarHBondContact O-N 3.5Å; N104-C108 VanDerWaalsContact O-N 3.09Å
105V98.8Very high98.6Very high9 Ų946.1 Ų46.16%0.05522%0.221CC..Hα-helixtrans-51.8-47.4-178.4-177.60000112.5F97 L99 T102 H107 C108 I109 L121 Y135F97-V105 HydrophobicContact CE2-CG1 4.08Å; F97-V105 HydrophobicContact CZ-CG1 3.89Å; L99-V105 HydrophobicContact CD1-CB 4.45Å; L99-V105 HydrophobicContact CD1-CG1 4.05Å; L99-V105 HydrophobicContact CD1-CG2 3.57Å; T102-V105 HydrophobicContact CG2-CB 4.49Å; T102-V105 HydrophobicContact CG2-CG2 4.02Å; V105-H107 VanDerWaalsContact C-N 3.35Å; V105-H107 PolarHBondContact O-N 2.92Å; V105-C108 WeakPolarHBondContact O-CB 3.49Å; V105-C108 PolarHBondContact O-N 2.95Å; V105-I109 HydrophobicContact CG1-CD1 3.96Å; V105-I109 WeakPolarHBondContact O-CG1 3.39Å; V105-I109 PolarHBondContact O-N 3.29Å; V105-L121 HydrophobicContact CG1-CD1 4.48Å; V105-L121 HydrophobicContact CG1-CD2 4.27Å; V105-Y135 HydrophobicContact CB-CD1 4.22Å; V105-Y135 HydrophobicContact CB-CE1 3.72Å; V105-Y135 HydrophobicContact CB-CE2 4.26Å; V105-Y135 HydrophobicContact CG1-CD1 3.7Å; V105-Y135 HydrophobicContact CG1-CD2 3.94Å; V105-Y135 HydrophobicContact CG1-CE1 3.71Å; V105-Y135 HydrophobicContact CG1-CE2 3.96Å; V105-Y135 HydrophobicContact CG1-CG 3.8Å; V105-Y135 HydrophobicContact CG2-CE1 4.47Å; V105-Y135 HydrophobicContact CG2-CE2 4.28Å
106M98.7Very high98.6Very high56 Ų5652.1 Ų52.128%0.27625%0.253SS..Hα-helixtrans-66.4-35.6-179.3-76.7-57.2-58.300112.8N104 I109 H110 Y135N104-M106 VanDerWaalsContact C-N 3.34Å; N104-M106 PolarHBondContact O-N 3.42Å; M106-I109 PolarHBondContact O-N 2.76Å; M106-I109 HydrophobicContact SD-CD1 3.98Å; M106-H110 VanDerWaalsContact O-CG 3.3Å; M106-H110 PolarHBondContact O-N 2.89Å; M106-H110 PolarHBondContact O-ND1 3.27Å; M106-Y135 HydrophobicContact CG-CD1 4.02Å; M106-Y135 HydrophobicContact CG-CE1 3.95Å; M106-Y135 HydrophobicContact SD-CD1 3.72Å; M106-Y135 HydrophobicContact SD-CE1 4.28Å
107H98.8Very high98.6Very high85 Ų8552.5 Ų52.539%0.39425%0.254SS..Hα-helixtrans-63.1-44.6173.4177.856.4000111.3N104 V105 I109 H110 K111N104-H107 HydrophobicContact CB-CB 3.96Å; N104-H107 WeakPolarHBondContact O-CB 3.11Å; N104-H107 PolarHBondContact O-N 3.19Å; N104-H107 VanDerWaalsContact O-N 3.08Å; N104-H107 WeakPolarHBondContact OD1-CB 3.37Å; N104-H107 PolarHBondContact OD1-N 3.49Å; N104-H107 VanDerWaalsContact OD1-N 3.1Å; V105-H107 VanDerWaalsContact C-N 3.35Å; V105-H107 PolarHBondContact O-N 2.92Å; H107-I109 PolarHBondContact O-N 3.35Å; H107-H110 PolarHBondContact O-N 3.19Å; H107-K111 WeakPolarHBondContact O-CG 3.33Å; H107-K111 PolarHBondContact O-N 2.83Å
108C98.9Very high98.6Very high0 Ų057.1 Ų57.10%027%0.274CS..Hα-helixtrans-58.9-47.5175.7-1670000112E81 F97 T102 N104 V105 H110 K111 I112E81-C108 HydrophobicContact CG-CB 3.71Å; F97-C108 HydrophobicContact CD2-CB 4.48Å; F97-C108 HydrophobicContact CE1-CB 4.4Å; F97-C108 HydrophobicContact CE2-CB 4.03Å; F97-C108 HydrophobicContact CZ-CB 3.97Å; T102-C108 HydrophobicContact CG2-CB 4.4Å; N104-C108 PolarHBondContact O-N 3.5Å; N104-C108 VanDerWaalsContact O-N 3.09Å; V105-C108 WeakPolarHBondContact O-CB 3.49Å; V105-C108 PolarHBondContact O-N 2.95Å; C108-H110 VanDerWaalsContact C-N 3.34Å; C108-H110 PolarHBondContact O-N 2.82Å; C108-K111 PolarHBondContact O-N 3.12Å; C108-I112 WeakPolarHBondContact O-CG1 3.23Å; C108-I112 PolarHBondContact O-N 3.42Å
109I98.9Very high98.6Very high2 Ų257.1 Ų57.11%0.0127%0.274CS..Hα-helixtrans-55.5-47.9176.4-68.5168.9000111.2F97 V105 M106 H107 K111 I112 R113 V119 Y135 S138 V139F97-I109 HydrophobicContact CE1-CG1 3.91Å; F97-I109 HydrophobicContact CZ-CD1 4.48Å; F97-I109 HydrophobicContact CZ-CG1 3.82Å; V105-I109 HydrophobicContact CG1-CD1 3.96Å; V105-I109 WeakPolarHBondContact O-CG1 3.39Å; V105-I109 PolarHBondContact O-N 3.29Å; M106-I109 PolarHBondContact O-N 2.76Å; M106-I109 HydrophobicContact SD-CD1 3.98Å; H107-I109 PolarHBondContact O-N 3.35Å; I109-K111 PolarHBondContact O-N 3.08Å; I109-I112 PolarHBondContact O-N 3.23Å; I109-R113 HydrophobicContact CG2-CG 4.48Å; I109-R113 WeakPolarHBondContact O-CG 3.48Å; I109-R113 PolarHBondContact O-N 3.24Å; I109-V119 HydrophobicContact CB-CG1 4.42Å; I109-V119 HydrophobicContact CG1-CG1 4Å; I109-V119 HydrophobicContact CG2-CG1 4.18Å; I109-V119 HydrophobicContact CG2-CG2 4.4Å; I109-Y135 HydrophobicContact CD1-CD1 4.38Å; I109-S138 WeakPolarHBondContact CG2-O 3.26Å; I109-V139 HydrophobicContact CD1-CG1 3.81Å; I109-V139 HydrophobicContact CG1-CG1 4.25Å
110H98.8Very high98.6Very high98 Ų9856.4 Ų56.445%0.45427%0.271SS..Hα-helixtrans-61.7-44.1179.2-69.2155.9000112.3M106 H107 C108 I112 R113 E114M106-H110 VanDerWaalsContact O-CG 3.3Å; M106-H110 PolarHBondContact O-N 2.89Å; M106-H110 PolarHBondContact O-ND1 3.27Å; H107-H110 PolarHBondContact O-N 3.19Å; C108-H110 VanDerWaalsContact C-N 3.34Å; C108-H110 PolarHBondContact O-N 2.82Å; H110-I112 VanDerWaalsContact C-N 3.32Å; H110-I112 PolarHBondContact O-N 2.94Å; H110-R113 WeakPolarHBondContact O-CB 3.34Å; H110-R113 PolarHBondContact O-N 3.23Å; H110-E114 WeakPolarHBondContact O-CG 3.38Å; H110-E114 PolarHBondContact O-N 3.44Å
111K98.8Very high98.6Very high54 Ų5453.4 Ų53.424%0.23526%0.257CS..Hα-helixtrans-60.5-41.4177.2-68.3-169.693.9-1750112.3E81 V84 H107 C108 I109 R113 E114 A115E81-K111 HydrophobicContact CB-CD 3.89Å; E81-K111 HydrophobicContact CG-CD 4.26Å; E81-K111 PolarHBondContact O-NZ 3.44Å; V84-K111 HydrophobicContact CG1-CB 4.38Å; V84-K111 HydrophobicContact CG2-CB 4.46Å; H107-K111 WeakPolarHBondContact O-CG 3.33Å; H107-K111 PolarHBondContact O-N 2.83Å; C108-K111 PolarHBondContact O-N 3.12Å; I109-K111 PolarHBondContact O-N 3.08Å; K111-R113 VanDerWaalsContact C-N 3.33Å; K111-E114 PolarHBondContact O-N 2.82Å; K111-A115 WeakPolarHBondContact O-CB 3.43Å; K111-A115 PolarHBondContact O-N 3.12Å
112I98.9Very high98.6Very high0 Ų052.9 Ų52.90%025%0.253CS..Hα-helixtrans-64.2-40.9178.3-64.3161.7000110.6V84 Y95 F97 C108 I109 H110 A115 D116 M117 V119V84-I112 HydrophobicContact CG1-CG1 4.13Å; V84-I112 HydrophobicContact CG2-CG1 3.8Å; Y95-I112 HydrophobicContact CD1-CD1 3.45Å; Y95-I112 VanDerWaalsContact CD1-CD1 3.45Å; Y95-I112 HydrophobicContact CD1-CG1 3.85Å; Y95-I112 HydrophobicContact CE1-CD1 4.05Å; Y95-I112 HydrophobicContact CE1-CG1 4.43Å; Y95-I112 HydrophobicContact CG-CD1 4.17Å; Y95-I112 HydrophobicContact CG-CG1 4.15Å; F97-I112 HydrophobicContact CD1-CD1 3.62Å; F97-I112 HydrophobicContact CE1-CD1 3.87Å; C108-I112 WeakPolarHBondContact O-CG1 3.23Å; C108-I112 PolarHBondContact O-N 3.42Å; I109-I112 PolarHBondContact O-N 3.23Å; H110-I112 VanDerWaalsContact C-N 3.32Å; H110-I112 PolarHBondContact O-N 2.94Å; I112-A115 CarbonylContact O-C 3.58Å; I112-A115 PolarHBondContact O-N 3.36Å; I112-D116 PolarHBondContact O-N 2.76Å; I112-M117 HydrophobicContact CG2-CB 3.84Å; I112-M117 HydrophobicContact CG2-CE 4.31Å; I112-M117 PolarHBondContact O-N 3.1Å; I112-V119 HydrophobicContact CB-CG2 3.96Å; I112-V119 HydrophobicContact CD1-CG1 4.41Å; I112-V119 HydrophobicContact CG2-CB 4.3Å; I112-V119 HydrophobicContact CG2-CG2 3.56Å
113R98.6Very high98.7Very high91 Ų9152 Ų5234%0.34325%0.248SC..Hα-helixtrans-63.6-46.7175.7-73.7-75.4178.1-128.3-0.7112.5I109 H110 K111 A115 D116 M117 V119 S138 D140I109-R113 HydrophobicContact CG2-CG 4.48Å; I109-R113 WeakPolarHBondContact O-CG 3.48Å; I109-R113 PolarHBondContact O-N 3.24Å; H110-R113 WeakPolarHBondContact O-CB 3.34Å; H110-R113 PolarHBondContact O-N 3.23Å; K111-R113 VanDerWaalsContact C-N 3.33Å; R113-A115 PolarHBondContact O-N 2.77Å; R113-D116 WeakPolarHBondContact O-CA 3.44Å; R113-D116 PolarHBondContact O-N 3.41Å; R113-M117 PolarHBondContact NH1-O 2.98Å; R113-V119 HydrophobicContact CG-CG2 3.8Å; R113-S138 PolarHBondContact NH2-O 2.96Å; R113-D140 IonicContact CZ-OD2 3.02Å; R113-D140 IonicContact NH1-OD1 3.4Å; R113-D140 IonicContact NH1-OD2 3.92Å; R113-D140 PolarHBondContact NH1-OD2 3.43Å; R113-D140 IonicContact NH2-OD1 3.12Å; R113-D140 IonicContact NH2-OD2 3.41Å; R113-D140 PolarHBondContact NH2-OD2 3.42Å
114E98.7Very high98.8Very high160 Ų16044.2 Ų44.275%0.74821%0.211SC*.Hα-helixtrans-62-32.9177.3-73.1174.2171.600111.7H110 K111 D116H110-E114 WeakPolarHBondContact O-CG 3.38Å; H110-E114 PolarHBondContact O-N 3.44Å; K111-E114 PolarHBondContact O-N 2.82Å; E114-D116 PolarHBondContact O-N 2.84Å
115A98.6Very high98.8Very high19 Ų1940.5 Ų40.516%0.15719%0.192CC..THydrogen-bonded Turntrans-76.36171.800000113.7V84 K88 K111 I112 R113 M117V84-A115 HydrophobicContact CG1-CB 3.71Å; K88-A115 HydrophobicContact CB-CB 4.14Å; K88-A115 WeakPolarHBondContact CD-O 3.18Å; K88-A115 WeakPolarHBondContact CE-O 3.21Å; K88-A115 HydrophobicContact CG-CB 4.33Å; K88-A115 WeakPolarHBondContact CG-O 3.5Å; K88-A115 PolarHBondContact NZ-O 3.42Å; K111-A115 WeakPolarHBondContact O-CB 3.43Å; K111-A115 PolarHBondContact O-N 3.12Å; I112-A115 CarbonylContact O-C 3.58Å; I112-A115 PolarHBondContact O-N 3.36Å; R113-A115 PolarHBondContact O-N 2.77Å; A115-M117 VanDerWaalsContact C-N 3.33Å; A115-M117 HydrophobicContact CB-CE 3.95Å; A115-M117 PolarHBondContact O-N 2.8Å
116D98.4Very high98.8Very high126 Ų12649.1 Ų49.167%0.67423%0.228SC*.THydrogen-bonded Turntrans56.944.2177.3179.357.5000112.4K88 I112 R113 E114K88-D116 PolarHBondContact NZ-O 3.16Å; K88-D116 IonicContact NZ-OD2 3.39Å; K88-D116 PolarHBondContact NZ-OD2 3.32Å; I112-D116 PolarHBondContact O-N 2.76Å; R113-D116 WeakPolarHBondContact O-CA 3.44Å; R113-D116 PolarHBondContact O-N 3.41Å; E114-D116 PolarHBondContact O-N 2.84Å
117M98.8Very high98.8Very high7 Ų747.2 Ų47.23%0.03422%0.22CC..  trans-113.6157.3171.7-65.4-173.8-71.100110.8V84 K88 A92 Y95 I112 R113 A115V84-M117 HydrophobicContact CG1-CE 3.61Å; V84-M117 WeakPolarHBondContact O-CE 3.39Å; K88-M117 HydrophobicContact CB-CE 3.99Å; K88-M117 HydrophobicContact CB-CG 4.34Å; K88-M117 HydrophobicContact CB-SD 3.89Å; K88-M117 HydrophobicContact CD-CG 3.79Å; K88-M117 HydrophobicContact CD-SD 4.32Å; A92-M117 HydrophobicContact CB-SD 3.56Å; A92-M117 VanDerWaalsContact CB-SD 3.56Å; Y95-M117 HydrophobicContact CD2-CE 3.93Å; Y95-M117 HydrophobicContact CG-CE 4.22Å; I112-M117 HydrophobicContact CG2-CB 3.84Å; I112-M117 HydrophobicContact CG2-CE 4.31Å; I112-M117 PolarHBondContact O-N 3.1Å; R113-M117 PolarHBondContact NH1-O 2.98Å; A115-M117 VanDerWaalsContact C-N 3.33Å; A115-M117 HydrophobicContact CB-CE 3.95Å; A115-M117 PolarHBondContact O-N 2.8Å
118K98.9Very high98.8Very high97 Ų9746.1 Ų46.142%0.42222%0.221SC..EExtended strand (participates in β ladder)trans-67.3141.1163.2-69.9-68.6-172.1-176.80109.8F70 S93 Q94 Y95 D140F70-K118 HydrophobicContact CE2-CG 4.48Å; F70-K118 HydrophobicContact CZ-CG 4.46Å; S93-K118 PolarHBondContact O-N 2.79Å; Q94-K118 WeakPolarHBondContact CA-O 3.5Å; Q94-K118 HydrophobicContact CB-CB 3.79Å; Q94-K118 HydrophobicContact CG-CB 3.85Å; Y95-K118 PolarHBondContact N-O 2.84Å; K118-D140 WeakPolarHBondContact CA-OD2 3.37Å; K118-D140 HydrophobicContact CD-CB 4Å; K118-D140 VanDerWaalsContact CD-OD1 3.25Å; K118-D140 WeakPolarHBondContact CD-OD1 3.2Å; K118-D140 VanDerWaalsContact CD-OD2 3.28Å; K118-D140 WeakPolarHBondContact CD-OD2 3.45Å; K118-D140 IonicContact NZ-OD1 3.11Å; K118-D140 PolarHBondContact NZ-OD1 3.06Å
119V98.9Very high98.8Very high0 Ų046.9 Ų46.90%023%0.225CC..EExtended strand (participates in β ladder)trans-102.7110.8-177.4-177.10000108.6F97 I109 I112 R113 V139 D140 M141F97-V119 HydrophobicContact CE1-CG1 4.31Å; I109-V119 HydrophobicContact CB-CG1 4.42Å; I109-V119 HydrophobicContact CG1-CG1 4Å; I109-V119 HydrophobicContact CG2-CG1 4.18Å; I109-V119 HydrophobicContact CG2-CG2 4.4Å; I112-V119 HydrophobicContact CB-CG2 3.96Å; I112-V119 HydrophobicContact CD1-CG1 4.41Å; I112-V119 HydrophobicContact CG2-CB 4.3Å; I112-V119 HydrophobicContact CG2-CG2 3.56Å; R113-V119 HydrophobicContact CG-CG2 3.8Å; V119-V139 HydrophobicContact CG1-CB 4.18Å; V119-V139 HydrophobicContact CG1-CG1 3.81Å; V119-D140 PolarHBondContact N-OD2 2.7Å; V119-D140 PolarHBondContact O-N 3.39Å; V119-M141 PolarHBondContact O-N 3.47Å
120G98.9Very high98.8Very high0 Ų050.1 Ų50.10%025%0.245CC..EExtended strand (participates in β ladder)trans-96.8142.8165.400000110.6Y95 T96 F97 M141Y95-G120 PolarHBondContact O-N 3.14Å; T96-G120 WeakPolarHBondContact CA-O 3.47Å; F97-G120 WeakPolarHBondContact CD1-O 3.43Å; F97-G120 PolarHBondContact N-O 3.28Å; G120-M141 CarbonylContact C-O 3.6Å; G120-M141 WeakPolarHBondContact CA-O 3.46Å
121L98.9Very high98.8Very high0 Ų050.2 Ų50.20%025%0.245CC..EExtended strand (participates in β ladder)trans-129.1115171.817661.1000110F97 L99 V105 L132 Y135 V139 M141 I142 L143F97-L121 HydrophobicContact CD2-CD1 4.13Å; F97-L121 HydrophobicContact CE1-CD1 4.1Å; F97-L121 HydrophobicContact CE2-CD1 3.65Å; F97-L121 HydrophobicContact CZ-CD1 3.64Å; F97-L121 CarbonylContact O-C 3.57Å; F97-L121 WeakPolarHBondContact O-CA 3.4Å; L99-L121 HydrophobicContact CB-CD1 4.06Å; L99-L121 HydrophobicContact CD1-CD1 4.35Å; L99-L121 HydrophobicContact CD1-CD2 4.39Å; V105-L121 HydrophobicContact CG1-CD1 4.48Å; V105-L121 HydrophobicContact CG1-CD2 4.27Å; L121-L132 HydrophobicContact CD2-CD2 3.51Å; L121-L132 HydrophobicContact CG-CD2 3.61Å; L121-Y135 HydrophobicContact CD2-CD2 4.08Å; L121-Y135 HydrophobicContact CD2-CG 4.2Å; L121-V139 HydrophobicContact CB-CG1 3.88Å; L121-V139 HydrophobicContact CD2-CG1 4.24Å; L121-M141 PolarHBondContact N-O 2.79Å; L121-I142 HydrophobicContact CB-CD1 3.91Å; L121-I142 HydrophobicContact CD2-CD1 4.4Å; L121-I142 HydrophobicContact CG-CD1 4.31Å; L121-I142 VanDerWaalsContact O-CA 3.32Å; L121-I142 WeakPolarHBondContact O-CA 3.22Å; L121-I142 WeakPolarHBondContact O-CD1 3.32Å; L121-L143 PolarHBondContact O-N 3.33Å
122G98.9Very high98.8Very high0 Ų047.6 Ų47.60%023%0.234CC..EExtended strand (participates in β ladder)trans-98.4155.5-179.600000113.5F97 H98 L99 L143F97-G122 PolarHBondContact O-N 3.18Å; H98-G122 WeakPolarHBondContact CA-O 3.24Å; L99-G122 PolarHBondContact N-O 3.19Å; G122-L143 CarbonylContact C-O 3.58Å; G122-L143 VanDerWaalsContact CA-O 3.23Å; G122-L143 WeakPolarHBondContact CA-O 3.33Å
123I98.9Very high98.7Very high0 Ų050.4 Ų50.40%025%0.249CC..EExtended strand (participates in β ladder)trans-131.4146.3167.354.2169.1000111.8L99 T127 V129 L132 L143 I144 M145 K163L99-I123 HydrophobicContact CB-CG2 3.86Å; L99-I123 HydrophobicContact CD2-CG2 4.02Å; I123-T127 HydrophobicContact CB-CG2 4.21Å; I123-T127 HydrophobicContact CG2-CG2 3.93Å; I123-V129 HydrophobicContact CD1-CB 4.31Å; I123-V129 HydrophobicContact CD1-CG2 4.44Å; I123-L132 HydrophobicContact CD1-CD1 3.79Å; I123-L132 HydrophobicContact CD1-CG 4.39Å; I123-L132 HydrophobicContact CG1-CD1 4.09Å; I123-L132 HydrophobicContact CG2-CD1 4.08Å; I123-L132 HydrophobicContact CG2-CD2 3.65Å; I123-L132 HydrophobicContact CG2-CG 3.81Å; I123-L143 PolarHBondContact N-O 2.85Å; I123-I144 HydrophobicContact CD1-CD1 3.76Å; I123-I144 HydrophobicContact CG1-CD1 3.75Å; I123-M145 WeakPolarHBondContact O-CB 3.33Å; I123-M145 WeakPolarHBondContact O-CG 3.37Å; I123-M145 PolarHBondContact O-N 2.73Å; I123-K163 HydrophobicContact CD1-CD 4.04Å
124K98.8Very high98.7Very high37 Ų3750.4 Ų50.416%0.16126%0.261CS..  trans-70163.7171.2-65.2-170.5177.8-167.40112.1F47 E100 K126 T127 E148 P149 K163F47-K124 HydrophobicContact CZ-CD 4.35Å; F47-K124 PolarHBondContact O-NZ 2.61Å; E100-K124 VanDerWaalsContact OE1-CB 3.31Å; E100-K124 WeakPolarHBondContact OE1-CB 3.39Å; E100-K124 PolarHBondContact OE1-N 3.34Å; K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 3.14Å; K124-T127 PolarHBondContact O-N 3.45Å; K124-E148 IonicContact NZ-OE1 2.75Å; K124-P149 HydrophobicContact CD-CG 4.12Å; K124-P149 HydrophobicContact CG-CG 3.85Å; K124-K163 PolarHBondContact O-NZ 3.46Å; K124-K163 VanDerWaalsContact O-NZ 3.16Å
125P98.8Very high98.7Very high10 Ų1045.4 Ų45.47%0.06524%0.235CC..THydrogen-bonded Turntrans-57.3-33.2178.1-29.537.3000115.1M145 V147 M157 M160 K163P125-M145 HydrophobicContact CG-CB 4.44Å; P125-V147 WeakPolarHBondContact CD-O 3.41Å; P125-V147 WeakPolarHBondContact CG-O 3.49Å; P125-M157 HydrophobicContact CB-CE 3.74Å; P125-M157 HydrophobicContact CB-SD 4.04Å; P125-M157 HydrophobicContact CG-CE 4.3Å; P125-M157 HydrophobicContact CG-SD 3.92Å; P125-M160 WeakPolarHBondContact CA-SD 3.39Å; P125-M160 HydrophobicContact CB-CE 4.32Å; P125-M160 HydrophobicContact CB-CG 4.41Å; P125-M160 HydrophobicContact CB-SD 3.59Å; P125-M160 VanDerWaalsContact CB-SD 3.59Å; P125-M160 HydrophobicContact CG-SD 4.44Å; P125-K163 VanDerWaalsContact C-NZ 3.31Å; P125-K163 PolarHBondContact O-NZ 3.45Å
126K98.5Very high98.7Very high189 Ų18944.8 Ų44.882%0.82223%0.23SC*.THydrogen-bonded Turntrans-81.6-16.4-177.8-68.4-177.3-178.9173.80114.4K124 P128K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 3.14Å; K126-P128 WeakPolarHBondContact O-CD 3.46Å
127T98.8Very high98.7Very high17 Ų1746.2 Ų46.210%0.10424%0.237CC..SBendtrans-81.4124.8-175-57.20000110.3L99 E100 I123 K124 V129 E131 K163L99-T127 HydrophobicContact CD2-CG2 3.99Å; E100-T127 WeakPolarHBondContact OE1-CB 3.47Å; E100-T127 PolarHBondContact OE1-OG1 2.98Å; I123-T127 HydrophobicContact CB-CG2 4.21Å; I123-T127 HydrophobicContact CG2-CG2 3.93Å; K124-T127 PolarHBondContact O-N 3.45Å; T127-V129 PolarHBondContact O-N 3.1Å; T127-E131 HydrophobicContact CG2-CB 4.47Å; T127-K163 PolarHBondContact O-NZ 2.87Å
128P98.7Very high98.7Very high62 Ų6247.7 Ų47.740%0.40325%0.248SC..  trans-59.6132.4176.6-22.732.8000111.8K126 T130 E131K126-P128 WeakPolarHBondContact O-CD 3.46Å; P128-T130 PolarHBondContact O-N 2.67Å; P128-E131 HydrophobicContact CB-CG 4.35Å; P128-E131 WeakPolarHBondContact CD-OE1 3.34Å; P128-E131 WeakPolarHBondContact O-CB 3.42Å; P128-E131 PolarHBondContact O-N 3.19Å
129V98.8Very high98.7Very high15 Ų1543.7 Ų43.79%0.09123%0.232CC..G310 helixtrans-59.4-23.7178.568.80000113.1I123 T127 E131 L132 K163 Y166 L167I123-V129 HydrophobicContact CD1-CB 4.31Å; I123-V129 HydrophobicContact CD1-CG2 4.44Å; T127-V129 PolarHBondContact O-N 3.1Å; V129-E131 PolarHBondContact O-N 2.81Å; V129-L132 HydrophobicContact CG2-CD1 4.26Å; V129-L132 WeakPolarHBondContact O-CB 3.48Å; V129-L132 PolarHBondContact O-N 3.1Å; V129-K163 HydrophobicContact CB-CB 3.88Å; V129-K163 HydrophobicContact CB-CD 4.26Å; V129-K163 HydrophobicContact CB-CG 3.98Å; V129-K163 HydrophobicContact CG1-CB 4.4Å; V129-K163 HydrophobicContact CG1-CG 4.4Å; V129-K163 HydrophobicContact CG2-CB 3.96Å; V129-Y166 HydrophobicContact CB-CD1 4.46Å; V129-Y166 HydrophobicContact CG1-CD1 3.52Å; V129-Y166 HydrophobicContact CG1-CD2 4.44Å; V129-Y166 HydrophobicContact CG1-CE1 4.03Å; V129-Y166 HydrophobicContact CG1-CG 3.77Å; V129-Y166 HydrophobicContact CG2-CD1 4.11Å; V129-L167 HydrophobicContact CG2-CD1 3.77Å; V129-L167 HydrophobicContact CG2-CD2 3.86Å; V129-L167 HydrophobicContact CG2-CG 3.58Å
130T98.7Very high98.6Very high70 Ų7045.2 Ų45.243%0.42924%0.24SC..G310 helixtrans-64.7-21.3176.447.80000113.3P128 L132 L133 Y166P128-T130 PolarHBondContact O-N 2.67Å; T130-L132 PolarHBondContact O-N 3.07Å; T130-L133 HydrophobicContact CG2-CD1 4.35Å; T130-L133 WeakPolarHBondContact O-CB 3.19Å; T130-L133 VanDerWaalsContact O-CG 3.24Å; T130-L133 WeakPolarHBondContact O-CG 3.43Å; T130-L133 PolarHBondContact O-N 2.97Å; T130-Y166 HydrophobicContact CG2-CE1 4.37Å; T130-Y166 HydrophobicContact CG2-CE2 4.49Å
131E98.8Very high98.6Very high100 Ų10045.3 Ų45.347%0.46724%0.24SC..G310 helixtrans-71.7-16.2176.9-62.7-170.3-161.600112.9L99 T127 P128 V129 P134 Y135L99-E131 HydrophobicContact CD2-CB 3.65Å; T127-E131 HydrophobicContact CG2-CB 4.47Å; P128-E131 HydrophobicContact CB-CG 4.35Å; P128-E131 WeakPolarHBondContact CD-OE1 3.34Å; P128-E131 WeakPolarHBondContact O-CB 3.42Å; P128-E131 PolarHBondContact O-N 3.19Å; V129-E131 PolarHBondContact O-N 2.81Å; E131-P134 WeakPolarHBondContact O-CD 3.47Å; E131-Y135 WeakPolarHBondContact O-CE2 3.48Å
132L98.7Very high98.6Very high0 Ų045.3 Ų45.30%024%0.24CC..G310 helixtrans-76.8-22.4173.9-69.6171.9000113.4L121 I123 V129 T130 P134 Y135 I136 I142 I144 L167L121-L132 HydrophobicContact CD2-CD2 3.51Å; L121-L132 HydrophobicContact CG-CD2 3.61Å; I123-L132 HydrophobicContact CD1-CD1 3.79Å; I123-L132 HydrophobicContact CD1-CG 4.39Å; I123-L132 HydrophobicContact CG1-CD1 4.09Å; I123-L132 HydrophobicContact CG2-CD1 4.08Å; I123-L132 HydrophobicContact CG2-CD2 3.65Å; I123-L132 HydrophobicContact CG2-CG 3.81Å; V129-L132 HydrophobicContact CG2-CD1 4.26Å; V129-L132 WeakPolarHBondContact O-CB 3.48Å; V129-L132 PolarHBondContact O-N 3.1Å; T130-L132 PolarHBondContact O-N 3.07Å; L132-P134 VanDerWaalsContact C-N 3.33Å; L132-Y135 PolarHBondContact O-N 3.49Å; L132-I136 HydrophobicContact CB-CD1 3.96Å; L132-I136 WeakPolarHBondContact O-CG1 3.39Å; L132-I136 PolarHBondContact O-N 2.83Å; L132-I142 HydrophobicContact CD1-CD1 4.09Å; L132-I142 HydrophobicContact CD1-CG1 4.45Å; L132-I142 HydrophobicContact CD1-CG2 3.55Å; L132-I142 HydrophobicContact CD2-CD1 3.94Å; L132-I142 HydrophobicContact CG-CD1 4.47Å; L132-I144 HydrophobicContact CD1-CD1 4.48Å; L132-L167 HydrophobicContact CD1-CD1 4.32Å
133L98.3Very high98.6Very high58 Ų5845.3 Ų45.330%0.30424%0.24SC..G310 helixtrans-52.6-39.9-170.5-64.3179000114.7T130 Y135 Y166 Y171T130-L133 HydrophobicContact CG2-CD1 4.35Å; T130-L133 WeakPolarHBondContact O-CB 3.19Å; T130-L133 VanDerWaalsContact O-CG 3.24Å; T130-L133 WeakPolarHBondContact O-CG 3.43Å; T130-L133 PolarHBondContact O-N 2.97Å; L133-Y135 PolarHBondContact O-N 3.07Å; L133-Y135 VanDerWaalsContact O-N 3.13Å; L133-Y166 HydrophobicContact CD2-CE1 4.14Å; L133-Y171 HydrophobicContact CD2-CE2 3.88Å; L133-Y171 WeakPolarHBondContact CD2-OH 3.39Å
134P98.4Very high98.6Very high92 Ų9245.3 Ų45.360%0.59724%0.241SC*.G310 helixtrans-63.2-17.5178-22.735.6000114.4E131 L132E131-P134 WeakPolarHBondContact O-CD 3.47Å; L132-P134 VanDerWaalsContact C-N 3.33Å
135Y98.7Very high98.6Very high54 Ų5443.7 Ų43.721%0.21223%0.234CC..G310 helixtrans-115-8-168.7-45.9-65.1000113.8L99 V105 M106 I109 L121 E131 L132 L133 D137 S138 V139L99-Y135 HydrophobicContact CD1-CD2 3.91Å; L99-Y135 HydrophobicContact CD1-CE2 3.54Å; V105-Y135 HydrophobicContact CB-CD1 4.22Å; V105-Y135 HydrophobicContact CB-CE1 3.72Å; V105-Y135 HydrophobicContact CB-CE2 4.26Å; V105-Y135 HydrophobicContact CG1-CD1 3.7Å; V105-Y135 HydrophobicContact CG1-CD2 3.94Å; V105-Y135 HydrophobicContact CG1-CE1 3.71Å; V105-Y135 HydrophobicContact CG1-CE2 3.96Å; V105-Y135 HydrophobicContact CG1-CG 3.8Å; V105-Y135 HydrophobicContact CG2-CE1 4.47Å; V105-Y135 HydrophobicContact CG2-CE2 4.28Å; M106-Y135 HydrophobicContact CG-CD1 4.02Å; M106-Y135 HydrophobicContact CG-CE1 3.95Å; M106-Y135 HydrophobicContact SD-CD1 3.72Å; M106-Y135 HydrophobicContact SD-CE1 4.28Å; I109-Y135 HydrophobicContact CD1-CD1 4.38Å; L121-Y135 HydrophobicContact CD2-CD2 4.08Å; L121-Y135 HydrophobicContact CD2-CG 4.2Å; E131-Y135 WeakPolarHBondContact O-CE2 3.48Å; L132-Y135 PolarHBondContact O-N 3.49Å; L133-Y135 PolarHBondContact O-N 3.07Å; L133-Y135 VanDerWaalsContact O-N 3.13Å; Y135-D137 VanDerWaalsContact C-N 3.29Å; Y135-D137 PolarHBondContact O-N 2.95Å; Y135-S138 WeakPolarHBondContact O-CB 3.42Å; Y135-S138 PolarHBondContact O-N 3Å; Y135-V139 PolarHBondContact O-N 3.13Å
136I98.2Very high98.6Very high7 Ų743.2 Ų43.24%0.03623%0.23CC..G310 helixtrans-55.1-42.6-171.5-64.8-64000112.5L132 S138 I142 L167 Y171 L174L132-I136 HydrophobicContact CB-CD1 3.96Å; L132-I136 WeakPolarHBondContact O-CG1 3.39Å; L132-I136 PolarHBondContact O-N 2.83Å; I136-S138 PolarHBondContact O-N 2.9Å; I136-I142 HydrophobicContact CD1-CD1 4.04Å; I136-I142 HydrophobicContact CD1-CG1 3.88Å; I136-L167 HydrophobicContact CD1-CD2 3.87Å; I136-Y171 HydrophobicContact CB-CE1 4.11Å; I136-Y171 HydrophobicContact CB-CE2 4.42Å; I136-Y171 HydrophobicContact CD1-CE2 4.47Å; I136-Y171 HydrophobicContact CG1-CD2 4.45Å; I136-Y171 HydrophobicContact CG1-CE1 4.47Å; I136-Y171 HydrophobicContact CG1-CE2 3.91Å; I136-Y171 HydrophobicContact CG2-CD1 3.49Å; I136-Y171 VanDerWaalsContact CG2-CD1 3.49Å; I136-Y171 HydrophobicContact CG2-CD2 4.02Å; I136-Y171 HydrophobicContact CG2-CE1 3.51Å; I136-Y171 HydrophobicContact CG2-CE2 4.06Å; I136-Y171 HydrophobicContact CG2-CG 3.74Å; I136-L174 HydrophobicContact CD1-CD2 4.2Å; I136-L174 HydrophobicContact CG2-CD2 4.16Å
137D97.7Very high98.6Very high155 Ų15534.6 Ų34.683%0.82919%0.193SC*.G310 helixtrans-75.3-7.5-178.3-63.4-34.3000113.4Y135Y135-D137 VanDerWaalsContact C-N 3.29Å; Y135-D137 PolarHBondContact O-N 2.95Å
138S98.5Very high98.6Very high38 Ų3837.3 Ų37.327%0.26621%0.205SC..G310 helixtrans-102.1-10.3-177-57.60000113.4I109 R113 Y135 I136I109-S138 WeakPolarHBondContact CG2-O 3.26Å; R113-S138 PolarHBondContact NH2-O 2.96Å; Y135-S138 WeakPolarHBondContact O-CB 3.42Å; Y135-S138 PolarHBondContact O-N 3Å; I136-S138 PolarHBondContact O-N 2.9Å
139V98.8Very high98.6Very high13 Ų1334.8 Ų34.88%0.07919%0.189CC..  trans-113.8157.5-175.7-56.50000111.5I109 V119 L121 Y135 I142I109-V139 HydrophobicContact CD1-CG1 3.81Å; I109-V139 HydrophobicContact CG1-CG1 4.25Å; V119-V139 HydrophobicContact CG1-CB 4.18Å; V119-V139 HydrophobicContact CG1-CG1 3.81Å; L121-V139 HydrophobicContact CB-CG1 3.88Å; L121-V139 HydrophobicContact CD2-CG1 4.24Å; Y135-V139 PolarHBondContact O-N 3.13Å; V139-I142 HydrophobicContact CG2-CD1 3.73Å; V139-I142 HydrophobicContact CG2-CG1 4.27Å
140D98.8Very high98.5Very high33 Ų3334.2 Ų34.218%0.17619%0.185CC..SBendtrans-88.3-34173.5-60.9-86.5000112.2R113 K118 V119R113-D140 IonicContact CZ-OD2 3.02Å; R113-D140 IonicContact NH1-OD1 3.4Å; R113-D140 IonicContact NH1-OD2 3.92Å; R113-D140 PolarHBondContact NH1-OD2 3.43Å; R113-D140 IonicContact NH2-OD1 3.12Å; R113-D140 IonicContact NH2-OD2 3.41Å; R113-D140 PolarHBondContact NH2-OD2 3.42Å; K118-D140 WeakPolarHBondContact CA-OD2 3.37Å; K118-D140 HydrophobicContact CD-CB 4Å; K118-D140 VanDerWaalsContact CD-OD1 3.25Å; K118-D140 WeakPolarHBondContact CD-OD1 3.2Å; K118-D140 VanDerWaalsContact CD-OD2 3.28Å; K118-D140 WeakPolarHBondContact CD-OD2 3.45Å; K118-D140 IonicContact NZ-OD1 3.11Å; K118-D140 PolarHBondContact NZ-OD1 3.06Å; V119-D140 PolarHBondContact N-OD2 2.7Å; V119-D140 PolarHBondContact O-N 3.39Å
141M98.8Very high98.3Very high1 Ų136.1 Ų36.11%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-143.3139.4-168.6-175-79.3-81.200110.5T96 V119 G120 L121 L143 D175 E177 M197T96-M141 HydrophobicContact CG2-CE 3.8Å; T96-M141 WeakPolarHBondContact OG1-CE 3.35Å; V119-M141 PolarHBondContact O-N 3.47Å; G120-M141 CarbonylContact C-O 3.6Å; G120-M141 WeakPolarHBondContact CA-O 3.46Å; L121-M141 PolarHBondContact N-O 2.79Å; M141-L143 HydrophobicContact CE-CB 4.22Å; M141-L143 HydrophobicContact SD-CB 4.05Å; M141-L143 PolarHBondContact SD-N 2.94Å; M141-D175 CarbonylContact C-O 3.59Å; M141-D175 VanDerWaalsContact CA-O 3.31Å; M141-D175 WeakPolarHBondContact CA-O 3.43Å; M141-D175 HydrophobicContact CB-CB 4.13Å; M141-D175 HydrophobicContact CG-CB 4.01Å; M141-E177 HydrophobicContact CE-CB 4.01Å; M141-E177 WeakPolarHBondContact CE-OE1 3.36Å; M141-E177 HydrophobicContact CG-CB 4.27Å; M141-E177 HydrophobicContact SD-CB 3.45Å; M141-E177 WeakPolarHBondContact SD-CB 3.48Å; M141-M197 HydrophobicContact CG-SD 3.78Å
142I98.9Very high98Very high0 Ų032.9 Ų32.90%018%0.181CC..EExtended strand (participates in β ladder)trans-108.2127.9169.4-67.8-60.1000110.6L121 L132 I136 V139 I144 L167 L174 D175 I176 E177L121-I142 HydrophobicContact CB-CD1 3.91Å; L121-I142 HydrophobicContact CD2-CD1 4.4Å; L121-I142 HydrophobicContact CG-CD1 4.31Å; L121-I142 VanDerWaalsContact O-CA 3.32Å; L121-I142 WeakPolarHBondContact O-CA 3.22Å; L121-I142 WeakPolarHBondContact O-CD1 3.32Å; L132-I142 HydrophobicContact CD1-CD1 4.09Å; L132-I142 HydrophobicContact CD1-CG1 4.45Å; L132-I142 HydrophobicContact CD1-CG2 3.55Å; L132-I142 HydrophobicContact CD2-CD1 3.94Å; L132-I142 HydrophobicContact CG-CD1 4.47Å; I136-I142 HydrophobicContact CD1-CD1 4.04Å; I136-I142 HydrophobicContact CD1-CG1 3.88Å; V139-I142 HydrophobicContact CG2-CD1 3.73Å; V139-I142 HydrophobicContact CG2-CG1 4.27Å; I142-I144 HydrophobicContact CG2-CD1 3.81Å; I142-I144 HydrophobicContact CG2-CG1 4.32Å; I142-L167 HydrophobicContact CB-CD1 4.24Å; I142-L167 HydrophobicContact CG2-CD1 3.59Å; I142-L174 HydrophobicContact CB-CD2 4.39Å; I142-L174 HydrophobicContact CG1-CD1 4.4Å; I142-L174 HydrophobicContact CG1-CD2 3.83Å; I142-L174 HydrophobicContact CG1-CG 4.47Å; I142-D175 PolarHBondContact N-O 2.61Å; I142-I176 CarbonylContact O-C 3.58Å; I142-I176 WeakPolarHBondContact O-CA 3.45Å; I142-E177 PolarHBondContact O-N 2.84Å
143L98.9Very high97.6Very high0 Ų036.2 Ų36.20%022%0.216CC..EExtended strand (participates in β ladder)trans-98.1122.1174169.661.2000111H74 T96 L121 G122 I123 M141 M145 E177 D179H74-L143 WeakPolarHBondContact CD2-CD2 3.49Å; H74-L143 WeakPolarHBondContact NE2-CD2 3.45Å; T96-L143 HydrophobicContact CG2-CB 3.88Å; T96-L143 HydrophobicContact CG2-CD2 3.83Å; L121-L143 PolarHBondContact O-N 3.33Å; G122-L143 CarbonylContact C-O 3.58Å; G122-L143 VanDerWaalsContact CA-O 3.23Å; G122-L143 WeakPolarHBondContact CA-O 3.33Å; I123-L143 PolarHBondContact N-O 2.85Å; M141-L143 HydrophobicContact CE-CB 4.22Å; M141-L143 HydrophobicContact SD-CB 4.05Å; M141-L143 PolarHBondContact SD-N 2.94Å; L143-M145 HydrophobicContact CD1-SD 4.34Å; L143-M145 HydrophobicContact CD2-SD 3.88Å; L143-M145 HydrophobicContact CG-SD 4.11Å; L143-E177 HydrophobicContact CB-CB 4.45Å; L143-E177 HydrophobicContact CD1-CB 3.97Å; L143-E177 HydrophobicContact CD1-CG 3.84Å; L143-D179 HydrophobicContact CD1-CB 3.7Å
144I98.9Very high97.5Very high1 Ų136.6 Ų36.61%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-102.1109.6170.1-55.8-58000108.7I123 L132 I142 T146 M160 K163 V164 L167 I176 E177 V178 D179I123-I144 HydrophobicContact CD1-CD1 3.76Å; I123-I144 HydrophobicContact CG1-CD1 3.75Å; L132-I144 HydrophobicContact CD1-CD1 4.48Å; I142-I144 HydrophobicContact CG2-CD1 3.81Å; I142-I144 HydrophobicContact CG2-CG1 4.32Å; I144-T146 PolarHBondContact O-N 3.28Å; I144-M160 HydrophobicContact CG2-CB 4.23Å; I144-K163 HydrophobicContact CD1-CB 4.22Å; I144-K163 HydrophobicContact CG2-CB 4.26Å; I144-K163 HydrophobicContact CG2-CD 4.38Å; I144-V164 HydrophobicContact CB-CG2 4.03Å; I144-V164 HydrophobicContact CG1-CG2 3.93Å; I144-V164 HydrophobicContact CG2-CG2 4.12Å; I144-L167 HydrophobicContact CD1-CD1 3.95Å; I144-L167 HydrophobicContact CG1-CD1 4.41Å; I144-I176 HydrophobicContact CG1-CG2 4.24Å; I144-E177 PolarHBondContact N-O 3.26Å; I144-V178 HydrophobicContact CB-CG1 4.44Å; I144-V178 WeakPolarHBondContact O-CA 3.34Å; I144-D179 PolarHBondContact O-N 3.38Å
145M98.8Very high97.3Very high3 Ų341.2 Ų41.22%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-67.5124.9171.5-65-55.4-54.800110.4H74 I123 P125 L143 V147 P149 D179H74-M145 PolarHBondContact CE1-SD 3.41Å; I123-M145 WeakPolarHBondContact O-CB 3.33Å; I123-M145 WeakPolarHBondContact O-CG 3.37Å; I123-M145 PolarHBondContact O-N 2.73Å; P125-M145 HydrophobicContact CG-CB 4.44Å; L143-M145 HydrophobicContact CD1-SD 4.34Å; L143-M145 HydrophobicContact CD2-SD 3.88Å; L143-M145 HydrophobicContact CG-SD 4.11Å; M145-V147 WeakPolarHBondContact CB-O 3.41Å; M145-V147 HydrophobicContact CE-CG2 4.21Å; M145-P149 HydrophobicContact CE-CB 4.03Å; M145-D179 WeakPolarHBondContact CA-O 3.36Å; M145-D179 HydrophobicContact CE-CB 4.33Å; M145-D179 WeakPolarHBondContact CE-OD2 3.41Å; M145-D179 HydrophobicContact SD-CB 4.24Å
146T98.7Very high97.3Very high0 Ų040 Ų400%022%0.223CC..SBendtrans-102.314.3175.454.20000112.5I144 F156 M157 M160 V178 D179 G180I144-T146 PolarHBondContact O-N 3.28Å; T146-F156 HydrophobicContact CG2-CD2 4.38Å; T146-F156 HydrophobicContact CG2-CE2 3.71Å; T146-F156 HydrophobicContact CG2-CZ 4.35Å; T146-M157 WeakPolarHBondContact O-CB 3.34Å; T146-M157 WeakPolarHBondContact O-CG 3.48Å; T146-M157 PolarHBondContact O-N 3.32Å; T146-M160 HydrophobicContact CG2-CB 4.04Å; T146-V178 HydrophobicContact CG2-CB 4.22Å; T146-V178 HydrophobicContact CG2-CG1 4.25Å; T146-D179 PolarHBondContact N-O 2.83Å; T146-D179 PolarHBondContact OG1-O 2.96Å; T146-D179 VanDerWaalsContact OG1-O 3.07Å; T146-G180 PolarHBondContact OG1-O 2.85Å
147V98.4Very high97.3Very high7 Ų742.4 Ų42.44%0.04223%0.234CC..SBendtrans-147.9168.9166-59.80000108.7P125 M145 Q154P125-V147 WeakPolarHBondContact CD-O 3.41Å; P125-V147 WeakPolarHBondContact CG-O 3.49Å; M145-V147 WeakPolarHBondContact CB-O 3.41Å; M145-V147 HydrophobicContact CE-CG2 4.21Å; V147-Q154 HydrophobicContact CB-CB 3.85Å; V147-Q154 HydrophobicContact CG1-CB 3.64Å; V147-Q154 HydrophobicContact CG2-CB 4.27Å
148E98.1Very high97.4Very high75 Ų7537.8 Ų37.835%0.3522%0.218SC..  trans-71.3123.4169-173.263.2-149.600109.2K124 Q154K124-E148 IonicContact NZ-OE1 2.75Å; E148-Q154 PolarHBondContact O-NE2 2.95Å
149P98.2Very high97.4Very high9 Ų941 Ų416%0.05823%0.233CC..THydrogen-bonded Turntrans-62.9151.8-176.523.9-33.8000112.8V48 M76 K124 M145V48-P149 HydrophobicContact CG1-CB 4.03Å; V48-P149 HydrophobicContact CG1-CG 4.26Å; V48-P149 WeakPolarHBondContact CG1-O 3.23Å; M76-P149 HydrophobicContact CG-CB 4.19Å; M76-P149 HydrophobicContact SD-CB 3.49Å; M76-P149 WeakPolarHBondContact SD-CB 3.49Å; K124-P149 HydrophobicContact CD-CG 4.12Å; K124-P149 HydrophobicContact CG-CG 3.85Å; M145-P149 HydrophobicContact CE-CB 4.03Å
150G96.6Very high97.4Very high2 Ų241 Ų412%0.02123%0.232CC..THydrogen-bonded Turntrans128-23.1173.300000115M43 N50M43-G150 WeakPolarHBondContact CE-O 3.27Å; N50-G150 WeakPolarHBondContact CB-O 3.2Å; N50-G150 PolarHBondContact ND2-O 3.42Å; N50-G150 VanDerWaalsContact ND2-O 3.11Å
151F95.9Very high97.4Very high110 Ų11040.4 Ų40.448%0.48223%0.228SC..  trans-141.5145.3177.2-62.7-76.9000112.3P49 N50 Q154P49-F151 HydrophobicContact CG-CE2 3.53Å; P49-F151 HydrophobicContact CG-CZ 3.93Å; N50-F151 HydrophobicContact CB-CD1 4.22Å; N50-F151 HydrophobicContact CB-CE1 3.75Å; N50-F151 HydrophobicContact CB-CZ 4.04Å; F151-Q154 PolarHBondContact O-NE2 3.12Å
152G92Very high97.3Very high32 Ų3244.4 Ų44.433%0.3325%0.254SS..SBendtrans-80.5170.7173.400000113N17 Q154N17-G152 WeakPolarHBondContact ND2-CA 3.07Å; G152-Q154 VanDerWaalsContact C-N 3.3Å; G152-Q154 PolarHBondContact O-N 3.42Å
153G90.3Very high97.3Very high71 Ų7145.5 Ų45.573%0.73226%0.259SS*.SBendtrans7513.2173.200000115.5N17N17-G153 PolarHBondContact ND2-N 3.43Å
154Q95.1Very high97.3Very high66 Ų6645.5 Ų45.531%0.30826%0.259SS..PPolyproline II helixtrans-79.1157.7-179.8-67.3-175.679.900112.7V147 E148 F151 G152 G181V147-Q154 HydrophobicContact CB-CB 3.85Å; V147-Q154 HydrophobicContact CG1-CB 3.64Å; V147-Q154 HydrophobicContact CG2-CB 4.27Å; E148-Q154 PolarHBondContact O-NE2 2.95Å; F151-Q154 PolarHBondContact O-NE2 3.12Å; G152-Q154 VanDerWaalsContact C-N 3.3Å; G152-Q154 PolarHBondContact O-N 3.42Å; Q154-G181 WeakPolarHBondContact O-CA 3.38Å
155K95.9Very high97.3Very high189 Ų18949.4 Ų49.482%0.82228%0.276SS*.PPolyproline II helixtrans-77.2127.4179.8-176-176.8176.7-174.50110.8
156F98.4Very high97.3Very high29 Ų2951.9 Ų51.913%0.12729%0.286CS..PPolyproline II helixtrans-51.2133174.8-176.8-102.7000113.9T146 A158 L161 G180 V182 N186T146-F156 HydrophobicContact CG2-CD2 4.38Å; T146-F156 HydrophobicContact CG2-CE2 3.71Å; T146-F156 HydrophobicContact CG2-CZ 4.35Å; F156-A158 HydrophobicContact CD1-CB 4.11Å; F156-A158 VanDerWaalsContact CE1-CA 3.46Å; F156-A158 HydrophobicContact CE1-CB 3.78Å; F156-L161 HydrophobicContact CE1-CD1 4.25Å; F156-L161 HydrophobicContact CE1-CG 4.47Å; F156-L161 HydrophobicContact CZ-CD1 4.03Å; F156-L161 HydrophobicContact CZ-CD2 3.96Å; F156-L161 HydrophobicContact CZ-CG 3.98Å; F156-G180 WeakPolarHBondContact CD2-O 3.5Å; F156-V182 HydrophobicContact CD2-CG2 4.31Å; F156-V182 HydrophobicContact CE2-CG2 4.2Å; F156-N186 WeakPolarHBondContact CB-ND2 3.08Å; F156-N186 HydrophobicContact CD1-CB 4.22Å; F156-N186 HydrophobicContact CE1-CB 4.21Å; F156-N186 VanDerWaalsContact CG-ND2 3.28Å; F156-N186 WeakPolarHBondContact CG-ND2 3.39Å
157M98.6Very high97.2Very high56 Ų5651.9 Ų51.928%0.27629%0.286SS..  trans-100.190.4177-63178.363.300110.3P125 T146 D159 M160P125-M157 HydrophobicContact CB-CE 3.74Å; P125-M157 HydrophobicContact CB-SD 4.04Å; P125-M157 HydrophobicContact CG-CE 4.3Å; P125-M157 HydrophobicContact CG-SD 3.92Å; T146-M157 WeakPolarHBondContact O-CB 3.34Å; T146-M157 WeakPolarHBondContact O-CG 3.48Å; T146-M157 PolarHBondContact O-N 3.32Å; M157-D159 WeakPolarHBondContact CB-OD1 3.31Å; M157-D159 PolarHBondContact O-N 2.95Å; M157-M160 HydrophobicContact CB-CG 3.81Å; M157-M160 HydrophobicContact CE-CE 4.06Å; M157-M160 HydrophobicContact CE-CG 4.48Å; M157-M160 WeakPolarHBondContact O-CB 3.47Å; M157-M160 PolarHBondContact O-N 3.23Å
158A98.4Very high97.1Very high59 Ų5952.2 Ų52.249%0.48829%0.286SS..G310 helixtrans-62.3-24.1-178.300000113.6F156 M160 L161F156-A158 HydrophobicContact CD1-CB 4.11Å; F156-A158 VanDerWaalsContact CE1-CA 3.46Å; F156-A158 HydrophobicContact CE1-CB 3.78Å; A158-M160 PolarHBondContact O-N 2.92Å; A158-L161 WeakPolarHBondContact O-CB 3.39Å; A158-L161 PolarHBondContact O-N 2.86Å; A158-L161 VanDerWaalsContact O-N 3.14Å
159D98.3Very high97.1Very high106 Ų10653.5 Ų53.557%0.56729%0.292SS*.G310 helixtrans-68.9-4.3174.361.3-39.7000113.8M157 P162M157-D159 WeakPolarHBondContact CB-OD1 3.31Å; M157-D159 PolarHBondContact O-N 2.95Å; D159-P162 WeakPolarHBondContact O-CD 3.25Å
160M98.7Very high97Very high13 Ų1359.1 Ų59.16%0.06431%0.312CS..G310 helixtrans-84.9-22.2169.3-62.1-57.8102.900113.5P125 I144 T146 M157 A158 P162 K163P125-M160 WeakPolarHBondContact CA-SD 3.39Å; P125-M160 HydrophobicContact CB-CE 4.32Å; P125-M160 HydrophobicContact CB-CG 4.41Å; P125-M160 HydrophobicContact CB-SD 3.59Å; P125-M160 VanDerWaalsContact CB-SD 3.59Å; P125-M160 HydrophobicContact CG-SD 4.44Å; I144-M160 HydrophobicContact CG2-CB 4.23Å; T146-M160 HydrophobicContact CG2-CB 4.04Å; M157-M160 HydrophobicContact CB-CG 3.81Å; M157-M160 HydrophobicContact CE-CE 4.06Å; M157-M160 HydrophobicContact CE-CG 4.48Å; M157-M160 WeakPolarHBondContact O-CB 3.47Å; M157-M160 PolarHBondContact O-N 3.23Å; A158-M160 PolarHBondContact O-N 2.92Å; M160-P162 VanDerWaalsContact C-CD 3.41Å; M160-P162 VanDerWaalsContact C-N 3.34Å; M160-K163 VanDerWaalsContact O-CB 3.23Å; M160-K163 WeakPolarHBondContact O-CB 3.46Å; M160-K163 PolarHBondContact O-N 2.75Å; M160-K163 HydrophobicContact SD-CD 4.29Å
161L98.7Very high96.9Very high20 Ų2062 Ų6211%0.10532%0.323CS..Hα-helixtrans-60-31179.5-65.2-175.9000115F156 A158 K163 V164 K165 D189 C190 A193F156-L161 HydrophobicContact CE1-CD1 4.25Å; F156-L161 HydrophobicContact CE1-CG 4.47Å; F156-L161 HydrophobicContact CZ-CD1 4.03Å; F156-L161 HydrophobicContact CZ-CD2 3.96Å; F156-L161 HydrophobicContact CZ-CG 3.98Å; A158-L161 WeakPolarHBondContact O-CB 3.39Å; A158-L161 PolarHBondContact O-N 2.86Å; A158-L161 VanDerWaalsContact O-N 3.14Å; L161-K163 PolarHBondContact O-N 2.94Å; L161-V164 HydrophobicContact CD2-CG2 4.27Å; L161-V164 WeakPolarHBondContact O-CB 3.4Å; L161-V164 PolarHBondContact O-N 3.32Å; L161-V164 VanDerWaalsContact O-N 3.08Å; L161-K165 PolarHBondContact O-N 2.84Å; L161-D189 HydrophobicContact CD1-CB 3.69Å; L161-C190 HydrophobicContact CD2-CB 4.41Å; L161-A193 HydrophobicContact CB-CB 3.92Å; L161-A193 HydrophobicContact CD1-CB 4.47Å; L161-A193 HydrophobicContact CD2-CB 4.07Å; L161-A193 HydrophobicContact CG-CB 4.38Å
162P98.4Very high96.7Very high84 Ų8458.7 Ų58.755%0.54532%0.32SS..Hα-helixtrans-53.8-30.5168.2-29.636.9000114.1D159 M160 Y166D159-P162 WeakPolarHBondContact O-CD 3.25Å; M160-P162 VanDerWaalsContact C-CD 3.41Å; M160-P162 VanDerWaalsContact C-N 3.34Å; P162-Y166 VanDerWaalsContact O-CB 3.26Å; P162-Y166 WeakPolarHBondContact O-CB 3.38Å; P162-Y166 PolarHBondContact O-N 2.92Å
163K98.8Very high96.7Very high24 Ų2462.8 Ų62.810%0.10433%0.334CS..Hα-helixtrans-68.5-43.8174.7-57.2-174.6-175.7-175.40111.6I123 K124 P125 T127 V129 I144 M160 L161 K165 Y166 L167I123-K163 HydrophobicContact CD1-CD 4.04Å; K124-K163 PolarHBondContact O-NZ 3.46Å; K124-K163 VanDerWaalsContact O-NZ 3.16Å; P125-K163 VanDerWaalsContact C-NZ 3.31Å; P125-K163 PolarHBondContact O-NZ 3.45Å; T127-K163 PolarHBondContact O-NZ 2.87Å; V129-K163 HydrophobicContact CB-CB 3.88Å; V129-K163 HydrophobicContact CB-CD 4.26Å; V129-K163 HydrophobicContact CB-CG 3.98Å; V129-K163 HydrophobicContact CG1-CB 4.4Å; V129-K163 HydrophobicContact CG1-CG 4.4Å; V129-K163 HydrophobicContact CG2-CB 3.96Å; I144-K163 HydrophobicContact CD1-CB 4.22Å; I144-K163 HydrophobicContact CG2-CB 4.26Å; I144-K163 HydrophobicContact CG2-CD 4.38Å; M160-K163 VanDerWaalsContact O-CB 3.23Å; M160-K163 WeakPolarHBondContact O-CB 3.46Å; M160-K163 PolarHBondContact O-N 2.75Å; M160-K163 HydrophobicContact SD-CD 4.29Å; L161-K163 PolarHBondContact O-N 2.94Å; K163-K165 VanDerWaalsContact C-N 3.34Å; K163-K165 PolarHBondContact O-N 3.42Å; K163-Y166 WeakPolarHBondContact O-CB 3.23Å; K163-Y166 PolarHBondContact O-N 3.48Å; K163-L167 PolarHBondContact O-N 3.44Å; K163-L167 VanDerWaalsContact O-N 3.14Å
164V98.7Very high97Very high0 Ų060.3 Ų60.30%030%0.304CS..Hα-helixtrans-58.1-49.8175179.10000109.9I144 L161 Y166 L167 R168 I176 V178 A193 A195I144-V164 HydrophobicContact CB-CG2 4.03Å; I144-V164 HydrophobicContact CG1-CG2 3.93Å; I144-V164 HydrophobicContact CG2-CG2 4.12Å; L161-V164 HydrophobicContact CD2-CG2 4.27Å; L161-V164 WeakPolarHBondContact O-CB 3.4Å; L161-V164 PolarHBondContact O-N 3.32Å; L161-V164 VanDerWaalsContact O-N 3.08Å; V164-Y166 PolarHBondContact O-N 3.32Å; V164-L167 PolarHBondContact O-N 2.93Å; V164-R168 PolarHBondContact O-N 2.87Å; V164-I176 HydrophobicContact CG1-CG2 3.98Å; V164-I176 HydrophobicContact CG2-CG2 4.41Å; V164-V178 HydrophobicContact CG2-CG1 3.68Å; V164-A193 HydrophobicContact CB-CB 4.09Å; V164-A193 HydrophobicContact CG1-CB 3.99Å; V164-A195 HydrophobicContact CG1-CB 3.95Å; V164-A195 VanDerWaalsContact CG1-N 3.27Å
165K98.1Very high97.2Very high82 Ų8258.8 Ų58.836%0.35730%0.298SS..Hα-helixtrans-60.1-45.7178-179.9172.8172.8163.50112.3H3 L161 K163 L167 R168 E169 A193H3-K165 WeakPolarHBondContact CE1-CE 3.32Å; H3-K165 VanDerWaalsContact NE2-CE 3.25Å; H3-K165 WeakPolarHBondContact NE2-CE 3.24Å; H3-K165 PolarHBondContact NE2-NZ 3.21Å; L161-K165 PolarHBondContact O-N 2.84Å; K163-K165 VanDerWaalsContact C-N 3.34Å; K163-K165 PolarHBondContact O-N 3.42Å; K165-L167 VanDerWaalsContact C-N 3.27Å; K165-L167 PolarHBondContact O-N 3.23Å; K165-R168 PolarHBondContact O-N 2.85Å; K165-E169 WeakPolarHBondContact CE-OE1 3.36Å; K165-E169 HydrophobicContact CG-CG 4.31Å; K165-E169 IonicContact NZ-OE1 3.89Å; K165-E169 WeakPolarHBondContact O-CB 3.43Å; K165-E169 VanDerWaalsContact O-CG 3.32Å; K165-E169 WeakPolarHBondContact O-CG 3.28Å; K165-E169 PolarHBondContact O-N 3.15Å; K165-A193 WeakPolarHBondContact CA-O 3.32Å; K165-A193 PolarHBondContact N-O 3.16Å
166Y98.2Very high97.3Very high56 Ų5649.8 Ų49.822%0.2226%0.259CS..Hα-helixtrans-55.1-43.5178.4177.7-84.6000112.3V129 T130 L133 P162 K163 V164 R170V129-Y166 HydrophobicContact CB-CD1 4.46Å; V129-Y166 HydrophobicContact CG1-CD1 3.52Å; V129-Y166 HydrophobicContact CG1-CD2 4.44Å; V129-Y166 HydrophobicContact CG1-CE1 4.03Å; V129-Y166 HydrophobicContact CG1-CG 3.77Å; V129-Y166 HydrophobicContact CG2-CD1 4.11Å; T130-Y166 HydrophobicContact CG2-CE1 4.37Å; T130-Y166 HydrophobicContact CG2-CE2 4.49Å; L133-Y166 HydrophobicContact CD2-CE1 4.14Å; P162-Y166 VanDerWaalsContact O-CB 3.26Å; P162-Y166 WeakPolarHBondContact O-CB 3.38Å; P162-Y166 PolarHBondContact O-N 2.92Å; K163-Y166 WeakPolarHBondContact O-CB 3.23Å; K163-Y166 PolarHBondContact O-N 3.48Å; V164-Y166 PolarHBondContact O-N 3.32Å; Y166-R170 PolarHBondContact O-NH1 2.92Å; Y166-R170 PolarHBondContact OH-NE 3.37Å
167L98.1Very high97.3Very high0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-70.3-49.3177.4-69.8170.3000111.6V129 L132 I136 I142 I144 K163 V164 K165 E169 R170 Y171 I176V129-L167 HydrophobicContact CG2-CD1 3.77Å; V129-L167 HydrophobicContact CG2-CD2 3.86Å; V129-L167 HydrophobicContact CG2-CG 3.58Å; L132-L167 HydrophobicContact CD1-CD1 4.32Å; I136-L167 HydrophobicContact CD1-CD2 3.87Å; I142-L167 HydrophobicContact CB-CD1 4.24Å; I142-L167 HydrophobicContact CG2-CD1 3.59Å; I144-L167 HydrophobicContact CD1-CD1 3.95Å; I144-L167 HydrophobicContact CG1-CD1 4.41Å; K163-L167 PolarHBondContact O-N 3.44Å; K163-L167 VanDerWaalsContact O-N 3.14Å; V164-L167 PolarHBondContact O-N 2.93Å; K165-L167 VanDerWaalsContact C-N 3.27Å; K165-L167 PolarHBondContact O-N 3.23Å; L167-E169 VanDerWaalsContact C-N 3.27Å; L167-E169 PolarHBondContact O-N 2.76Å; L167-R170 PolarHBondContact O-N 3.33Å; L167-Y171 HydrophobicContact CD2-CD2 4.2Å; L167-Y171 HydrophobicContact CD2-CE2 4.34Å; L167-Y171 WeakPolarHBondContact O-CD2 3.29Å; L167-Y171 PolarHBondContact O-N 3.26Å; L167-I176 HydrophobicContact CB-CD1 3.7Å
168R96.7Very high97.3Very high14 Ų1445.7 Ų45.75%0.05324%0.24CC..Hα-helixtrans-60.1-37.1-177.4179.358.565.2-150.4-8.7112.9H3 C5 V164 K165 R170 Y171 G172 L174 I176 G194 N196H3-R168 VanDerWaalsContact O-CG 3.24Å; H3-R168 WeakPolarHBondContact O-CG 3.47Å; C5-R168 PolarHBondContact SG-NH1 3.33Å; C5-R168 VanDerWaalsContact SG-NH1 3.41Å; C5-R168 PolarHBondContact SG-NH2 3.45Å; C5-R168 VanDerWaalsContact SG-NH2 3.42Å; V164-R168 PolarHBondContact O-N 2.87Å; K165-R168 PolarHBondContact O-N 2.85Å; R168-R170 PolarHBondContact O-N 2.7Å; R168-Y171 PolarHBondContact NH1-O 3.01Å; R168-G172 VanDerWaalsContact NH1-C 3.33Å; R168-G172 PolarHBondContact NH1-O 3.46Å; R168-L174 VanDerWaalsContact CZ-O 3.28Å; R168-L174 PolarHBondContact NH1-O 3.31Å; R168-L174 PolarHBondContact NH2-O 3.32Å; R168-I176 HydrophobicContact CB-CD1 4.03Å; R168-G194 VanDerWaalsContact CZ-O 3.27Å; R168-G194 PolarHBondContact NE-O 2.81Å; R168-G194 PolarHBondContact NH2-O 3.01Å; R168-N196 PolarHBondContact NH2-OD1 3.46Å
169E96.1Very high97.3Very high102 Ų10243.6 Ų43.648%0.47722%0.22SC..Hα-helixtrans-64-27.7176.5-75.1177.1168.400113.4H3 K165 L167H3-E169 IonicContact CE1-OE1 3.78Å; H3-E169 PolarHBondContact CE1-OE1 2.96Å; H3-E169 IonicContact ND1-OE1 3.88Å; H3-E169 PolarHBondContact ND1-OE1 3.27Å; H3-E169 IonicContact NE2-OE1 3.56Å; K165-E169 WeakPolarHBondContact CE-OE1 3.36Å; K165-E169 HydrophobicContact CG-CG 4.31Å; K165-E169 IonicContact NZ-OE1 3.89Å; K165-E169 WeakPolarHBondContact O-CB 3.43Å; K165-E169 VanDerWaalsContact O-CG 3.32Å; K165-E169 WeakPolarHBondContact O-CG 3.28Å; K165-E169 PolarHBondContact O-N 3.15Å; L167-E169 VanDerWaalsContact C-N 3.27Å; L167-E169 PolarHBondContact O-N 2.76Å
170R96.1Very high97.3Very high127 Ų12738.8 Ų38.848%0.47920%0.196SC..Hα-helixtrans-100.1-29.8-177.2-71.9165.4179.866.77.6112.8Y166 L167 R168Y166-R170 PolarHBondContact O-NH1 2.92Å; Y166-R170 PolarHBondContact OH-NE 3.37Å; L167-R170 PolarHBondContact O-N 3.33Å; R168-R170 PolarHBondContact O-N 2.7Å
171Y95.8Very high97.3Very high61 Ų6139.6 Ų39.624%0.23921%0.207CC..  trans-131.473-170.4-53.8-74.4000109.9L133 I136 L167 R168 N173 L174L133-Y171 HydrophobicContact CD2-CE2 3.88Å; L133-Y171 WeakPolarHBondContact CD2-OH 3.39Å; I136-Y171 HydrophobicContact CB-CE1 4.11Å; I136-Y171 HydrophobicContact CB-CE2 4.42Å; I136-Y171 HydrophobicContact CD1-CE2 4.47Å; I136-Y171 HydrophobicContact CG1-CD2 4.45Å; I136-Y171 HydrophobicContact CG1-CE1 4.47Å; I136-Y171 HydrophobicContact CG1-CE2 3.91Å; I136-Y171 HydrophobicContact CG2-CD1 3.49Å; I136-Y171 VanDerWaalsContact CG2-CD1 3.49Å; I136-Y171 HydrophobicContact CG2-CD2 4.02Å; I136-Y171 HydrophobicContact CG2-CE1 3.51Å; I136-Y171 HydrophobicContact CG2-CE2 4.06Å; I136-Y171 HydrophobicContact CG2-CG 3.74Å; L167-Y171 HydrophobicContact CD2-CD2 4.2Å; L167-Y171 HydrophobicContact CD2-CE2 4.34Å; L167-Y171 WeakPolarHBondContact O-CD2 3.29Å; L167-Y171 PolarHBondContact O-N 3.26Å; R168-Y171 PolarHBondContact NH1-O 3.01Å; Y171-N173 PolarHBondContact O-N 3.46Å; Y171-L174 HydrophobicContact CG-CD2 4.47Å; Y171-L174 WeakPolarHBondContact O-CB 3.22Å; Y171-L174 PolarHBondContact O-N 3.11Å; Y171-L174 VanDerWaalsContact O-N 3.14Å
172G91.6Very high97.2Very high41 Ų4138.8 Ų38.842%0.42320%0.203SC..THydrogen-bonded Turntrans-57.3-26.7-169.100000115.9R168R168-G172 VanDerWaalsContact NH1-C 3.33Å; R168-G172 PolarHBondContact NH1-O 3.46Å
173N91.5Very high97.2Very high118 Ų11836.3 Ų36.363%0.63119%0.186SC*.THydrogen-bonded Turntrans-105.8-2.7-178-66.7-30.8000114.6K7 Y171K7-N173 WeakPolarHBondContact CE-O 3.2Å; K7-N173 PolarHBondContact NZ-O 3.12Å; Y171-N173 PolarHBondContact O-N 3.46Å
174L96.7Very high97Very high19 Ų1936.9 Ų36.910%0.09919%0.191CC..  trans-63.6136.4179.6178.963.4000110I136 I142 R168 Y171 I176I136-L174 HydrophobicContact CD1-CD2 4.2Å; I136-L174 HydrophobicContact CG2-CD2 4.16Å; I142-L174 HydrophobicContact CB-CD2 4.39Å; I142-L174 HydrophobicContact CG1-CD1 4.4Å; I142-L174 HydrophobicContact CG1-CD2 3.83Å; I142-L174 HydrophobicContact CG1-CG 4.47Å; R168-L174 VanDerWaalsContact CZ-O 3.28Å; R168-L174 PolarHBondContact NH1-O 3.31Å; R168-L174 PolarHBondContact NH2-O 3.32Å; Y171-L174 HydrophobicContact CG-CD2 4.47Å; Y171-L174 WeakPolarHBondContact O-CB 3.22Å; Y171-L174 PolarHBondContact O-N 3.11Å; Y171-L174 VanDerWaalsContact O-N 3.14Å; L174-I176 HydrophobicContact CD2-CG1 4.24Å; L174-I176 HydrophobicContact CG-CG1 4.16Å; L174-I176 PolarHBondContact O-N 3.18Å
175D98.4Very high96.9Very high34 Ų3446 Ų4618%0.18223%0.23CC..EExtended strand (participates in β ladder)trans-75123.6168.9-69.6-42.9000108.7K7 M141 I142 N196 M197K7-D175 WeakPolarHBondContact CD-OD1 3.18Å; K7-D175 IonicContact NZ-OD1 2.76Å; K7-D175 PolarHBondContact NZ-OD1 3.25Å; K7-D175 IonicContact NZ-OD2 3.78Å; K7-D175 PolarHBondContact NZ-OD2 3.13Å; M141-D175 CarbonylContact C-O 3.59Å; M141-D175 VanDerWaalsContact CA-O 3.31Å; M141-D175 WeakPolarHBondContact CA-O 3.43Å; M141-D175 HydrophobicContact CB-CB 4.13Å; M141-D175 HydrophobicContact CG-CB 4.01Å; I142-D175 PolarHBondContact N-O 2.61Å; D175-N196 WeakPolarHBondContact CA-OD1 3.38Å; D175-N196 PolarHBondContact OD1-ND2 2.75Å; D175-M197 HydrophobicContact CB-SD 3.99Å
176I98.8Very high96.9Very high0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-120.4115.6179.4-55.2169.1000107.6I142 I144 V164 L167 R168 L174 A195 N196 M197I142-I176 CarbonylContact O-C 3.58Å; I142-I176 WeakPolarHBondContact O-CA 3.45Å; I144-I176 HydrophobicContact CG1-CG2 4.24Å; V164-I176 HydrophobicContact CG1-CG2 3.98Å; V164-I176 HydrophobicContact CG2-CG2 4.41Å; L167-I176 HydrophobicContact CB-CD1 3.7Å; R168-I176 HydrophobicContact CB-CD1 4.03Å; L174-I176 HydrophobicContact CD2-CG1 4.24Å; L174-I176 HydrophobicContact CG-CG1 4.16Å; L174-I176 PolarHBondContact O-N 3.18Å; I176-A195 WeakPolarHBondContact O-CA 3.28Å; I176-N196 PolarHBondContact N-OD1 3.25Å; I176-N196 PolarHBondContact O-N 2.92Å; I176-M197 PolarHBondContact O-N 3.15Å; I176-M197 VanDerWaalsContact O-N 3.08Å
177E98.9Very high96.8Very high0 Ų040.2 Ų40.20%021%0.207CC..EExtended strand (participates in β ladder)trans-94.1143.3175-169.5169.768.400111.1Y37 H39 M141 I142 L143 I144 M197 V199Y37-E177 VanDerWaalsContact CE2-OE2 3.26Å; Y37-E177 WeakPolarHBondContact CE2-OE2 3.47Å; Y37-E177 VanDerWaalsContact CZ-OE2 3.26Å; Y37-E177 PolarHBondContact OH-OE2 3.22Å; H39-E177 IonicContact CE1-OE1 3.47Å; H39-E177 IonicContact ND1-OE1 3.67Å; M141-E177 HydrophobicContact CE-CB 4.01Å; M141-E177 WeakPolarHBondContact CE-OE1 3.36Å; M141-E177 HydrophobicContact CG-CB 4.27Å; M141-E177 HydrophobicContact SD-CB 3.45Å; M141-E177 WeakPolarHBondContact SD-CB 3.48Å; I142-E177 PolarHBondContact O-N 2.84Å; L143-E177 HydrophobicContact CB-CB 4.45Å; L143-E177 HydrophobicContact CD1-CB 3.97Å; L143-E177 HydrophobicContact CD1-CG 3.84Å; I144-E177 PolarHBondContact N-O 3.26Å; E177-M197 VanDerWaalsContact CA-O 3.24Å; E177-M197 WeakPolarHBondContact CA-O 3.45Å; E177-M197 HydrophobicContact CB-CB 3.76Å; E177-M197 HydrophobicContact CG-CB 3.87Å; E177-V199 HydrophobicContact CG-CG2 3.63Å; E177-V199 WeakPolarHBondContact OE2-CG2 3.5Å
178V98.9Very high96.7Very high0 Ų045 Ų450%023%0.225CC..EExtended strand (participates in β ladder)trans-119.4134165.2-69.80000109.5I144 T146 V164 V182 C190 A195 M197 I198 V199I144-V178 HydrophobicContact CB-CG1 4.44Å; I144-V178 WeakPolarHBondContact O-CA 3.34Å; T146-V178 HydrophobicContact CG2-CB 4.22Å; T146-V178 HydrophobicContact CG2-CG1 4.25Å; V164-V178 HydrophobicContact CG2-CG1 3.68Å; V178-V182 HydrophobicContact CG2-CG2 4.16Å; V178-C190 HydrophobicContact CG2-CB 3.85Å; V178-A195 HydrophobicContact CG1-CB 3.82Å; V178-A195 HydrophobicContact CG2-CB 3.96Å; V178-M197 PolarHBondContact N-O 3.15Å; V178-M197 VanDerWaalsContact N-O 3.1Å; V178-I198 HydrophobicContact CG2-CD1 3.78Å; V178-V199 WeakPolarHBondContact O-CB 3.39Å; V178-V199 PolarHBondContact O-N 2.9Å
179D98.7Very high96.7Very high14 Ų1447.8 Ų47.88%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-135.2134.5175.3177.633.6000111.3H39 H74 L143 I144 M145 T146 V199H39-D179 IonicContact NE2-OD2 3.18Å; H74-D179 IonicContact CE1-OD2 3.71Å; H74-D179 IonicContact ND1-OD2 3.65Å; L143-D179 HydrophobicContact CD1-CB 3.7Å; I144-D179 PolarHBondContact O-N 3.38Å; M145-D179 WeakPolarHBondContact CA-O 3.36Å; M145-D179 HydrophobicContact CE-CB 4.33Å; M145-D179 WeakPolarHBondContact CE-OD2 3.41Å; M145-D179 HydrophobicContact SD-CB 4.24Å; T146-D179 PolarHBondContact N-O 2.83Å; T146-D179 PolarHBondContact OG1-O 2.96Å; T146-D179 VanDerWaalsContact OG1-O 3.07Å; D179-V199 HydrophobicContact CB-CB 3.76Å; D179-V199 HydrophobicContact CB-CG1 4.09Å; D179-V199 HydrophobicContact CB-CG2 4.15Å; D179-V199 WeakPolarHBondContact OD1-CG1 3.33Å
180G98.2Very high96.8Very high6 Ų643 Ų436%0.06222%0.219CC..SBendtrans122103.8176.300000113.9T146 F156 V182T146-G180 PolarHBondContact OG1-O 2.85Å; F156-G180 WeakPolarHBondContact CD2-O 3.5Å; G180-V182 PolarHBondContact O-N 3.37Å
181G96.9Very high96.8Very high29 Ų2937 Ų3730%0.29920%0.196SC..SBendtrans69.116.4172.200000114.8Q154 N186Q154-G181 WeakPolarHBondContact O-CA 3.38Å; G181-N186 PolarHBondContact O-ND2 3.22Å
182V98.2Very high96.7Very high3 Ų337.5 Ų37.52%0.01820%0.201CC..  trans-73.5129.3176-171.30000109.8F156 V178 G180 N186 V187 I198 V199 S200 M217F156-V182 HydrophobicContact CD2-CG2 4.31Å; F156-V182 HydrophobicContact CE2-CG2 4.2Å; V178-V182 HydrophobicContact CG2-CG2 4.16Å; G180-V182 PolarHBondContact O-N 3.37Å; V182-N186 WeakPolarHBondContact CA-OD1 3.45Å; V182-V187 HydrophobicContact CG1-CB 4.1Å; V182-V187 HydrophobicContact CG1-CG2 4.47Å; V182-I198 HydrophobicContact CG1-CG2 3.75Å; V182-V199 WeakPolarHBondContact CB-O 3.34Å; V182-S200 PolarHBondContact O-OG 3Å; V182-M217 HydrophobicContact CG1-CE 4.18Å
183T97.3Very high96.9Very high32 Ų3236 Ų3620%0.19619%0.185CC..  trans-139.5177.1-173.963.20000110.2K185 N186 V187 E203T183-K185 PolarHBondContact O-N 3.15Å; T183-K185 PolarHBondContact OG1-N 2.84Å; T183-N186 PolarHBondContact N-OD1 3.35Å; T183-N186 PolarHBondContact O-N 3.42Å; T183-N186 PolarHBondContact O-OD1 2.67Å; T183-N186 PolarHBondContact OG1-OD1 3.11Å; T183-V187 WeakPolarHBondContact O-CB 3.35Å; T183-V187 PolarHBondContact O-N 2.76Å; T183-E203 HydrophobicContact CG2-CB 4.28Å; T183-E203 HydrophobicContact CG2-CG 4.41Å
184L96.1Very high97.2Very high37 Ų3730.4 Ų30.419%0.19416%0.155CC..THydrogen-bonded Turntrans-56.6-24172.1-69.9174.3000113.7E203 I213 L216 M217 N220L184-E203 WeakPolarHBondContact CB-OE1 3.45Å; L184-E203 HydrophobicContact CG-CG 4.46Å; L184-E203 VanDerWaalsContact CG-OE1 3.28Å; L184-E203 WeakPolarHBondContact CG-OE1 3.48Å; L184-E203 PolarHBondContact N-OE1 3.09Å; L184-I213 HydrophobicContact CD1-CD1 4.21Å; L184-L216 HydrophobicContact CD1-CB 4.35Å; L184-L216 HydrophobicContact CD1-CD1 4.17Å; L184-L216 HydrophobicContact CD2-CB 3.49Å; L184-L216 VanDerWaalsContact CD2-CB 3.49Å; L184-M217 HydrophobicContact CD2-CB 4.28Å; L184-M217 HydrophobicContact CD2-CG 3.52Å; L184-M217 HydrophobicContact CG-CG 4.38Å; L184-N220 PolarHBondContact O-ND2 3.49Å
185K96.1Very high97.2Very high190 Ų19029.5 Ų29.583%0.82615%0.15SC*.THydrogen-bonded Turntrans-79.4-26.7-176.4-62.9177.9-178.1172.80114T183T183-K185 PolarHBondContact O-N 3.15Å; T183-K185 PolarHBondContact OG1-N 2.84Å
186N96.9Very high97.2Very high17 Ų1728 Ų289%0.09114%0.142CC..THydrogen-bonded Turntrans-129.5-4.3-17160.719.6000113.9F156 G181 V182 T183 R188 D189 C190F156-N186 WeakPolarHBondContact CB-ND2 3.08Å; F156-N186 HydrophobicContact CD1-CB 4.22Å; F156-N186 HydrophobicContact CE1-CB 4.21Å; F156-N186 VanDerWaalsContact CG-ND2 3.28Å; F156-N186 WeakPolarHBondContact CG-ND2 3.39Å; G181-N186 PolarHBondContact O-ND2 3.22Å; V182-N186 WeakPolarHBondContact CA-OD1 3.45Å; T183-N186 PolarHBondContact N-OD1 3.35Å; T183-N186 PolarHBondContact O-N 3.42Å; T183-N186 PolarHBondContact O-OD1 2.67Å; T183-N186 PolarHBondContact OG1-OD1 3.11Å; N186-R188 PolarHBondContact O-N 3Å; N186-D189 WeakPolarHBondContact O-CB 3.46Å; N186-D189 PolarHBondContact O-N 3.02Å; N186-D189 VanDerWaalsContact O-N 3.1Å; N186-C190 PolarHBondContact O-N 3.38Å; N186-C190 PolarHBondContact O-SG 3.33Å
187V97.1Very high97.1Very high1 Ų128.4 Ų28.41%0.00614%0.144CC..Hα-helixtrans-56.8-34.9175.362.30000112.3V182 T183 C190 V191 I198 M217 N220 A221V182-V187 HydrophobicContact CG1-CB 4.1Å; V182-V187 HydrophobicContact CG1-CG2 4.47Å; T183-V187 WeakPolarHBondContact O-CB 3.35Å; T183-V187 PolarHBondContact O-N 2.76Å; V187-C190 WeakPolarHBondContact O-CB 3.43Å; V187-C190 PolarHBondContact O-N 2.81Å; V187-V191 WeakPolarHBondContact O-CG2 3.35Å; V187-V191 PolarHBondContact O-N 3.36Å; V187-V191 VanDerWaalsContact O-N 3.14Å; V187-I198 HydrophobicContact CG2-CG1 4.38Å; V187-I198 HydrophobicContact CG2-CG2 3.98Å; V187-M217 HydrophobicContact CB-CE 4.09Å; V187-M217 HydrophobicContact CG2-CE 3.87Å; V187-N220 HydrophobicContact CG1-CB 3.72Å; V187-A221 HydrophobicContact CG2-CB 4.48Å
188R95.9Very high97.1Very high99 Ų9928.4 Ų28.437%0.37414%0.144SC..Hα-helixtrans-62.4-46.6176.1-177.8172.4173.3162.90.2111.4N186 C190 V191 E192N186-R188 PolarHBondContact O-N 3Å; R188-C190 PolarHBondContact O-N 2.8Å; R188-V191 PolarHBondContact O-N 3.39Å; R188-V191 VanDerWaalsContact O-N 3.16Å; R188-E192 HydrophobicContact CG-CG 4.22Å; R188-E192 IonicContact CZ-OE1 3.95Å; R188-E192 IonicContact NE-OE1 3.75Å; R188-E192 PolarHBondContact NE-OE1 3.46Å; R188-E192 IonicContact NH2-OE1 3.79Å; R188-E192 PolarHBondContact NH2-OE1 2.94Å; R188-E192 VanDerWaalsContact NH2-OE1 3.12Å; R188-E192 WeakPolarHBondContact O-CB 3.5Å; R188-E192 WeakPolarHBondContact O-CG 3.39Å; R188-E192 PolarHBondContact O-N 2.91Å
189D96.4Very high97.1Very high74 Ų7428.4 Ų28.440%0.39614%0.144SC..Hα-helixtrans-60.2-38178.9-54-29.5000111.2L161 N186 A193L161-D189 HydrophobicContact CD1-CB 3.69Å; N186-D189 WeakPolarHBondContact O-CB 3.46Å; N186-D189 PolarHBondContact O-N 3.02Å; N186-D189 VanDerWaalsContact O-N 3.1Å; D189-A193 WeakPolarHBondContact O-CB 3.33Å; D189-A193 PolarHBondContact O-N 3.37Å
190C97.6Very high97.1Very high0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-62-46.3176.4-59.90000112L161 V178 N186 V187 R188 A193 G194 A195 I198L161-C190 HydrophobicContact CD2-CB 4.41Å; V178-C190 HydrophobicContact CG2-CB 3.85Å; N186-C190 PolarHBondContact O-N 3.38Å; N186-C190 PolarHBondContact O-SG 3.33Å; V187-C190 WeakPolarHBondContact O-CB 3.43Å; V187-C190 PolarHBondContact O-N 2.81Å; R188-C190 PolarHBondContact O-N 2.8Å; C190-A193 PolarHBondContact O-N 3.01Å; C190-G194 PolarHBondContact O-N 2.87Å; C190-A195 HydrophobicContact CB-CB 4.38Å; C190-A195 VanDerWaalsContact O-CB 3.31Å; C190-A195 WeakPolarHBondContact O-CB 3.38Å; C190-A195 PolarHBondContact O-N 2.96Å; C190-I198 HydrophobicContact CB-CD1 4.17Å
191V95.9Very high96.9Very high1 Ų128.2 Ų28.21%0.00615%0.145CC..Hα-helixtrans-71.6-38.7-179.9174.30000111.6I4 I9 V187 R188 A193 G194 I198 A221 L224I4-V191 HydrophobicContact CG2-CG1 4.48Å; I9-V191 HydrophobicContact CD1-CG1 3.76Å; I9-V191 HydrophobicContact CD1-CG2 4.12Å; I9-V191 HydrophobicContact CG1-CG1 4.23Å; I9-V191 HydrophobicContact CG1-CG2 4.44Å; I9-V191 HydrophobicContact CG2-CG2 4.18Å; V187-V191 WeakPolarHBondContact O-CG2 3.35Å; V187-V191 PolarHBondContact O-N 3.36Å; V187-V191 VanDerWaalsContact O-N 3.14Å; R188-V191 PolarHBondContact O-N 3.39Å; R188-V191 VanDerWaalsContact O-N 3.16Å; V191-A193 VanDerWaalsContact C-N 3.27Å; V191-A193 PolarHBondContact O-N 3.17Å; V191-G194 WeakPolarHBondContact O-CA 3.4Å; V191-G194 PolarHBondContact O-N 3.07Å; V191-I198 HydrophobicContact CG2-CD1 3.98Å; V191-I198 HydrophobicContact CG2-CG1 4.45Å; V191-A221 HydrophobicContact CB-CB 4.48Å; V191-A221 HydrophobicContact CG2-CB 3.78Å; V191-L224 HydrophobicContact CG1-CD1 4.07Å
192E94.7Very high96.7Very high72 Ų7229.6 Ų29.634%0.33615%0.148SC..Hα-helixtrans-64.2-32.4173.9-74.3-175178.700112.2R188 G194 L224R188-E192 HydrophobicContact CG-CG 4.22Å; R188-E192 IonicContact CZ-OE1 3.95Å; R188-E192 IonicContact NE-OE1 3.75Å; R188-E192 PolarHBondContact NE-OE1 3.46Å; R188-E192 IonicContact NH2-OE1 3.79Å; R188-E192 PolarHBondContact NH2-OE1 2.94Å; R188-E192 VanDerWaalsContact NH2-OE1 3.12Å; R188-E192 WeakPolarHBondContact O-CB 3.5Å; R188-E192 WeakPolarHBondContact O-CG 3.39Å; R188-E192 PolarHBondContact O-N 2.91Å; E192-G194 PolarHBondContact O-N 3.29Å; E192-L224 HydrophobicContact CG-CD1 3.74Å; E192-L224 HydrophobicContact CG-CD2 4.14Å
193A96.3Very high96.6Very high11 Ų1131.4 Ų31.49%0.09116%0.156CC..Hα-helixtrans-71.1-20.4170.800000112.9L161 V164 K165 D189 C190 V191L161-A193 HydrophobicContact CB-CB 3.92Å; L161-A193 HydrophobicContact CD1-CB 4.47Å; L161-A193 HydrophobicContact CD2-CB 4.07Å; L161-A193 HydrophobicContact CG-CB 4.38Å; V164-A193 HydrophobicContact CB-CB 4.09Å; V164-A193 HydrophobicContact CG1-CB 3.99Å; K165-A193 WeakPolarHBondContact CA-O 3.32Å; K165-A193 PolarHBondContact N-O 3.16Å; D189-A193 WeakPolarHBondContact O-CB 3.33Å; D189-A193 PolarHBondContact O-N 3.37Å; C190-A193 PolarHBondContact O-N 3.01Å; V191-A193 VanDerWaalsContact C-N 3.27Å; V191-A193 PolarHBondContact O-N 3.17Å
194G96.7Very high96.6Very high0 Ų029.9 Ų29.90%015%0.147CC..THydrogen-bonded Turntrans115.58.2174.200000115.7H3 R168 C190 V191 E192H3-G194 WeakPolarHBondContact O-CA 3.37Å; R168-G194 VanDerWaalsContact CZ-O 3.27Å; R168-G194 PolarHBondContact NE-O 2.81Å; R168-G194 PolarHBondContact NH2-O 3.01Å; C190-G194 PolarHBondContact O-N 2.87Å; V191-G194 WeakPolarHBondContact O-CA 3.4Å; V191-G194 PolarHBondContact O-N 3.07Å; E192-G194 PolarHBondContact O-N 3.29Å
195A97.8Very high96.5Very high0 Ų029.8 Ų29.80%015%0.148CC..  trans-67.9142.917200000110.3V164 I176 V178 C190 I198V164-A195 HydrophobicContact CG1-CB 3.95Å; V164-A195 VanDerWaalsContact CG1-N 3.27Å; I176-A195 WeakPolarHBondContact O-CA 3.28Å; V178-A195 HydrophobicContact CG1-CB 3.82Å; V178-A195 HydrophobicContact CG2-CB 3.96Å; C190-A195 HydrophobicContact CB-CB 4.38Å; C190-A195 VanDerWaalsContact O-CB 3.31Å; C190-A195 WeakPolarHBondContact O-CB 3.38Å; C190-A195 PolarHBondContact O-N 2.96Å; A195-I198 HydrophobicContact CB-CD1 4.05Å
196N97.1Very high96.2Very high1 Ų124.5 Ų24.51%0.00513%0.134CC..  trans-130.5-6.1177.570.2-71.4000113.5C5 I9 L10 R168 D175 I176C5-N196 HydrophobicContact CB-CB 3.76Å; I9-N196 CarbonylContact C-O 3.59Å; I9-N196 WeakPolarHBondContact CA-O 3.42Å; I9-N196 HydrophobicContact CD1-CB 3.94Å; L10-N196 PolarHBondContact N-O 3.49Å; R168-N196 PolarHBondContact NH2-OD1 3.46Å; D175-N196 WeakPolarHBondContact CA-OD1 3.38Å; D175-N196 PolarHBondContact OD1-ND2 2.75Å; I176-N196 PolarHBondContact N-OD1 3.25Å; I176-N196 PolarHBondContact O-N 2.92Å
197M98.4Very high95.9Very high9 Ų927.5 Ų27.54%0.04415%0.148CC..EExtended strand (participates in β ladder)trans-114.9125165.7-69.4-175.766.100107.8L10 Y37 M141 D175 I176 E177 V178L10-M197 HydrophobicContact CB-CG 4.28Å; L10-M197 HydrophobicContact CD1-CG 4.25Å; Y37-M197 HydrophobicContact CD1-CE 4.34Å; Y37-M197 HydrophobicContact CE1-CE 3.83Å; Y37-M197 HydrophobicContact CE2-CE 3.97Å; M141-M197 HydrophobicContact CG-SD 3.78Å; D175-M197 HydrophobicContact CB-SD 3.99Å; I176-M197 PolarHBondContact O-N 3.15Å; I176-M197 VanDerWaalsContact O-N 3.08Å; E177-M197 VanDerWaalsContact CA-O 3.24Å; E177-M197 WeakPolarHBondContact CA-O 3.45Å; E177-M197 HydrophobicContact CB-CB 3.76Å; E177-M197 HydrophobicContact CG-CB 3.87Å; V178-M197 PolarHBondContact N-O 3.15Å; V178-M197 VanDerWaalsContact N-O 3.1Å
198I98.5Very high95.5Very high0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-120.7111.3-171.4-53.3-61.1000108.8I9 L10 I11 G12 Y37 V178 V182 V187 C190 V191 A195 M217I9-I198 HydrophobicContact CG2-CG1 3.88Å; L10-I198 PolarHBondContact O-N 3.37Å; I11-I198 WeakPolarHBondContact CA-O 3.4Å; I11-I198 HydrophobicContact CG1-CB 4.47Å; G12-I198 PolarHBondContact N-O 3.44Å; Y37-I198 PolarHBondContact OH-N 3.04Å; V178-I198 HydrophobicContact CG2-CD1 3.78Å; V182-I198 HydrophobicContact CG1-CG2 3.75Å; V187-I198 HydrophobicContact CG2-CG1 4.38Å; V187-I198 HydrophobicContact CG2-CG2 3.98Å; C190-I198 HydrophobicContact CB-CD1 4.17Å; V191-I198 HydrophobicContact CG2-CD1 3.98Å; V191-I198 HydrophobicContact CG2-CG1 4.45Å; A195-I198 HydrophobicContact CB-CD1 4.05Å; I198-M217 HydrophobicContact CG2-CE 3.65Å
199V98.8Very high95.5Very high0 Ų036.8 Ų36.80%020%0.199CC..EExtended strand (participates in β ladder)trans-91130.4172.3-178.20000109.8G12 Y37 H39 E177 V178 D179 V182G12-V199 VanDerWaalsContact O-CA 3.29Å; G12-V199 WeakPolarHBondContact O-CA 3.44Å; Y37-V199 HydrophobicContact CE2-CG2 4.42Å; H39-V199 HydrophobicContact CB-CG1 4.03Å; H39-V199 HydrophobicContact CB-CG2 4.26Å; H39-V199 WeakPolarHBondContact ND1-CG2 3.49Å; E177-V199 HydrophobicContact CG-CG2 3.63Å; E177-V199 WeakPolarHBondContact OE2-CG2 3.5Å; V178-V199 WeakPolarHBondContact O-CB 3.39Å; V178-V199 PolarHBondContact O-N 2.9Å; D179-V199 HydrophobicContact CB-CB 3.76Å; D179-V199 HydrophobicContact CB-CG1 4.09Å; D179-V199 HydrophobicContact CB-CG2 4.15Å; D179-V199 WeakPolarHBondContact OD1-CG1 3.33Å; V182-V199 WeakPolarHBondContact CB-O 3.34Å
200S98Very high95.5Very high2 Ų233.6 Ų33.61%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-144.9118.5173.4-173.90000111G12 P13 S14 V182 E203G12-S200 PolarHBondContact O-N 3.1Å; P13-S200 VanDerWaalsContact CA-O 3.22Å; P13-S200 WeakPolarHBondContact CA-O 3.35Å; S14-S200 PolarHBondContact N-O 3.01Å; S14-S200 VanDerWaalsContact N-O 3.11Å; V182-S200 PolarHBondContact O-OG 3Å; S200-E203 WeakPolarHBondContact OG-CB 3.22Å
201G95Very high95.5Very high15 Ų1535.4 Ų35.416%0.15520%0.197CC..SBendtrans-84.7-96.7178.400000111.9S14 E203 I204 T205S14-G201 WeakPolarHBondContact O-CA 3.41Å; G201-E203 VanDerWaalsContact C-N 3.27Å; G201-E203 PolarHBondContact O-N 3.14Å; G201-E203 VanDerWaalsContact O-N 3.14Å; G201-I204 PolarHBondContact O-N 2.93Å; G201-T205 PolarHBondContact O-N 3.35Å; G201-T205 PolarHBondContact O-OG1 3.26Å; G201-T205 VanDerWaalsContact O-OG1 3.11Å
202T93Very high95.6Very high57 Ų5738.9 Ų38.935%0.3522%0.215SC..Hα-helixtrans-55.1-35.1-170.8-550000114.2N17 I204 S206N17-T202 PolarHBondContact ND2-OG1 2.7Å; T202-I204 PolarHBondContact O-N 3.35Å; T202-S206 WeakPolarHBondContact O-CB 3.32Å; T202-S206 PolarHBondContact O-N 3.33Å; T202-S206 PolarHBondContact O-OG 2.97Å
203E95.5Very high95.7Very high42 Ų4235.9 Ų35.920%0.19620%0.201CC..Hα-helixtrans-57.6-38.6177.6-173.179.5163.400111.1T183 L184 S200 G201 H207 I213T183-E203 HydrophobicContact CG2-CB 4.28Å; T183-E203 HydrophobicContact CG2-CG 4.41Å; L184-E203 WeakPolarHBondContact CB-OE1 3.45Å; L184-E203 HydrophobicContact CG-CG 4.46Å; L184-E203 VanDerWaalsContact CG-OE1 3.28Å; L184-E203 WeakPolarHBondContact CG-OE1 3.48Å; L184-E203 PolarHBondContact N-OE1 3.09Å; S200-E203 WeakPolarHBondContact OG-CB 3.22Å; G201-E203 VanDerWaalsContact C-N 3.27Å; G201-E203 PolarHBondContact O-N 3.14Å; G201-E203 VanDerWaalsContact O-N 3.14Å; E203-H207 PolarHBondContact O-CE1 3.42Å; E203-H207 PolarHBondContact O-ND1 3.11Å; E203-I213 HydrophobicContact CG-CG2 4.01Å
204I96.6Very high95.8Very high0 Ų035.5 Ų35.50%020%0.198CC..Hα-helixtrans-86.3-50.2179.6-60.7177.5000110.2I11 P13 L30 G201 T202 S206 H207 P210 I213 I214 M217I11-I204 HydrophobicContact CG2-CD1 3.79Å; P13-I204 HydrophobicContact CB-CB 4.34Å; P13-I204 HydrophobicContact CB-CD1 4.03Å; P13-I204 HydrophobicContact CB-CG2 4.07Å; P13-I204 HydrophobicContact CG-CD1 3.85Å; P13-I204 HydrophobicContact CG-CG2 4.06Å; L30-I204 HydrophobicContact CD2-CG2 3.71Å; G201-I204 PolarHBondContact O-N 2.93Å; T202-I204 PolarHBondContact O-N 3.35Å; I204-S206 PolarHBondContact O-N 2.92Å; I204-H207 PolarHBondContact O-N 2.88Å; I204-P210 HydrophobicContact CG2-CB 3.87Å; I204-I213 HydrophobicContact CG1-CG2 3.97Å; I204-I214 HydrophobicContact CD1-CG1 4.03Å; I204-I214 HydrophobicContact CG1-CG1 4.49Å; I204-I214 HydrophobicContact CG2-CD1 4.24Å; I204-I214 HydrophobicContact CG2-CG1 4.13Å; I204-M217 HydrophobicContact CD1-SD 3.85Å; I204-M217 HydrophobicContact CG1-SD 3.95Å
205T93.5Very high95.8Very high35 Ų3542.2 Ų42.222%0.21523%0.227CC..Hα-helixtrans-76.2-18.2-167.858.60000114.6S14 L30 G201S14-T205 WeakPolarHBondContact O-CG2 3.23Å; L30-T205 HydrophobicContact CD1-CG2 4.34Å; L30-T205 HydrophobicContact CD2-CG2 4.39Å; G201-T205 PolarHBondContact O-N 3.35Å; G201-T205 PolarHBondContact O-OG1 3.26Å; G201-T205 VanDerWaalsContact O-OG1 3.11Å
206S91.2Very high95.7Very high78 Ų7845.3 Ų45.355%0.54524%0.243SC..THydrogen-bonded Turntrans-90.6-8.2178.769.50000114.7T202 I204T202-S206 WeakPolarHBondContact O-CB 3.32Å; T202-S206 PolarHBondContact O-N 3.33Å; T202-S206 PolarHBondContact O-OG 2.97Å; I204-S206 PolarHBondContact O-N 2.92Å
207H91Very high95.7Very high81 Ų8145.2 Ų45.238%0.37524%0.243SC..SBendtrans-91.9141.8178.9-74.182.5000111.4E203 I204 N209 P210 I213E203-H207 PolarHBondContact O-CE1 3.42Å; E203-H207 PolarHBondContact O-ND1 3.11Å; I204-H207 PolarHBondContact O-N 2.88Å; H207-N209 PolarHBondContact O-N 2.97Å; H207-N209 VanDerWaalsContact O-N 3.16Å; H207-P210 WeakPolarHBondContact O-CD 3.47Å; H207-I213 HydrophobicContact CB-CD1 4.23Å; H207-I213 HydrophobicContact CB-CG1 3.72Å
208E88.7Confident95.4Very high202 Ų20248.6 Ų48.694%0.94426%0.255SS*.SBendtrans-62.7-21.3177-64.1-175.4167.900113.5
209N94.8Very high95.2Very high93 Ų9351 Ų5150%0.49727%0.271SS..  trans-128.179.2178.3-171.5-17.6000111.1H207 A211 N212 I213H207-N209 PolarHBondContact O-N 2.97Å; H207-N209 VanDerWaalsContact O-N 3.16Å; N209-A211 PolarHBondContact O-N 2.96Å; N209-A211 WeakPolarHBondContact OD1-CB 3.45Å; N209-A211 PolarHBondContact OD1-N 3.38Å; N209-N212 HydrophobicContact CB-CB 4.28Å; N209-N212 PolarHBondContact O-N 3.46Å; N209-N212 VanDerWaalsContact O-N 3.16Å; N209-N212 PolarHBondContact OD1-N 2.9Å; N209-I213 PolarHBondContact O-N 3.1Å
210P96.6Very high94.8Very high6 Ų653.1 Ų53.14%0.03928%0.283CS..Hα-helixtrans-56.7-32.7176.8-2737.3000113H29 L30 I204 H207 N212 I213 I214H29-P210 WeakPolarHBondContact NE2-CD 3.41Å; L30-P210 HydrophobicContact CD2-CB 4.15Å; I204-P210 HydrophobicContact CG2-CB 3.87Å; H207-P210 WeakPolarHBondContact O-CD 3.47Å; P210-N212 VanDerWaalsContact C-N 3.31Å; P210-N212 PolarHBondContact O-N 3.09Å; P210-I213 PolarHBondContact O-N 2.99Å; P210-I213 VanDerWaalsContact O-N 3.11Å; P210-I214 WeakPolarHBondContact O-CG1 3.47Å; P210-I214 PolarHBondContact O-N 3.17Å
211A97.4Very high94.2Very high38 Ų3853.1 Ų53.131%0.31428%0.283SS..Hα-helixtrans-60.9-40.3178.700000112.3S33 N209 K215S33-A211 WeakPolarHBondContact O-CA 3.49Å; N209-A211 PolarHBondContact O-N 2.96Å; N209-A211 WeakPolarHBondContact OD1-CB 3.45Å; N209-A211 PolarHBondContact OD1-N 3.38Å; A211-K215 WeakPolarHBondContact O-CB 3.36Å; A211-K215 PolarHBondContact O-N 3.49Å
212N97.8Very high93.1Very high75 Ų7553.6 Ų53.640%0.40129%0.288SS..Hα-helixtrans-65.4-41.5174.5-175.458.5000111.7N209 P210 K215 L216N209-N212 HydrophobicContact CB-CB 4.28Å; N209-N212 PolarHBondContact O-N 3.46Å; N209-N212 VanDerWaalsContact O-N 3.16Å; N209-N212 PolarHBondContact OD1-N 2.9Å; P210-N212 VanDerWaalsContact C-N 3.31Å; P210-N212 PolarHBondContact O-N 3.09Å; N212-K215 PolarHBondContact O-N 3.45Å; N212-L216 WeakPolarHBondContact O-CB 3.22Å; N212-L216 VanDerWaalsContact O-CG 3.3Å; N212-L216 WeakPolarHBondContact O-CG 3.3Å; N212-L216 PolarHBondContact O-N 3.11Å
213I97.8Very high91.3Very high8 Ų856.2 Ų56.24%0.04130%0.296CS..Hα-helixtrans-64.8-47.2178.6-56.5-54.9000111.1L184 E203 I204 H207 N209 P210 K215 L216 M217L184-I213 HydrophobicContact CD1-CD1 4.21Å; E203-I213 HydrophobicContact CG-CG2 4.01Å; I204-I213 HydrophobicContact CG1-CG2 3.97Å; H207-I213 HydrophobicContact CB-CD1 4.23Å; H207-I213 HydrophobicContact CB-CG1 3.72Å; N209-I213 PolarHBondContact O-N 3.1Å; P210-I213 PolarHBondContact O-N 2.99Å; P210-I213 VanDerWaalsContact O-N 3.11Å; I213-K215 VanDerWaalsContact C-N 3.31Å; I213-K215 PolarHBondContact O-N 2.83Å; I213-L216 PolarHBondContact O-N 3.41Å; I213-M217 HydrophobicContact CG2-CG 4.38Å; I213-M217 HydrophobicContact CG2-SD 4.38Å; I213-M217 WeakPolarHBondContact O-CG 3.37Å; I213-M217 PolarHBondContact O-N 3.04Å
214I97.6Very high89.1Confident3 Ų355 Ų552%0.01529%0.291CS..Hα-helixtrans-58.8-44.8176.9-68.5170.8000110.2I11 P13 A35 I204 P210 L216 M217 R218I11-I214 HydrophobicContact CD1-CG2 4.2Å; I11-I214 HydrophobicContact CG2-CG1 4.47Å; P13-I214 HydrophobicContact CG-CD1 4.31Å; A35-I214 HydrophobicContact CB-CD1 4.22Å; I204-I214 HydrophobicContact CD1-CG1 4.03Å; I204-I214 HydrophobicContact CG1-CG1 4.49Å; I204-I214 HydrophobicContact CG2-CD1 4.24Å; I204-I214 HydrophobicContact CG2-CG1 4.13Å; P210-I214 WeakPolarHBondContact O-CG1 3.47Å; P210-I214 PolarHBondContact O-N 3.17Å; I214-L216 PolarHBondContact O-N 3.37Å; I214-M217 PolarHBondContact O-N 3.24Å; I214-R218 WeakPolarHBondContact O-CG 3.39Å; I214-R218 PolarHBondContact O-N 3.37Å
215K96.6Very high86.8Confident142 Ų14260.6 Ų60.662%0.61732%0.316SS*.Hα-helixtrans-61.7-42.4176.6-176.3-179.2178.2-1780112.5A211 N212 I213 R218 S219A211-K215 WeakPolarHBondContact O-CB 3.36Å; A211-K215 PolarHBondContact O-N 3.49Å; N212-K215 PolarHBondContact O-N 3.45Å; I213-K215 VanDerWaalsContact C-N 3.31Å; I213-K215 PolarHBondContact O-N 2.83Å; K215-R218 PolarHBondContact O-N 2.93Å; K215-S219 WeakPolarHBondContact O-CB 3.45Å; K215-S219 PolarHBondContact O-N 3.39Å; K215-S219 PolarHBondContact O-OG 3.03Å
216L96.6Very high84.4Confident64 Ų6465.5 Ų65.534%0.33534%0.341SS..Hα-helixtrans-67.2-40.8177.1-74.2172000111.5L184 N212 I213 I214 R218 S219 N220L184-L216 HydrophobicContact CD1-CB 4.35Å; L184-L216 HydrophobicContact CD1-CD1 4.17Å; L184-L216 HydrophobicContact CD2-CB 3.49Å; L184-L216 VanDerWaalsContact CD2-CB 3.49Å; N212-L216 WeakPolarHBondContact O-CB 3.22Å; N212-L216 VanDerWaalsContact O-CG 3.3Å; N212-L216 WeakPolarHBondContact O-CG 3.3Å; N212-L216 PolarHBondContact O-N 3.11Å; I213-L216 PolarHBondContact O-N 3.41Å; I214-L216 PolarHBondContact O-N 3.37Å; L216-R218 PolarHBondContact O-N 3.33Å; L216-S219 WeakPolarHBondContact O-CB 3.23Å; L216-S219 PolarHBondContact O-N 3.32Å; L216-S219 VanDerWaalsContact O-N 3.16Å; L216-N220 WeakPolarHBondContact O-CB 3.22Å; L216-N220 VanDerWaalsContact O-CG 3.32Å; L216-N220 PolarHBondContact O-N 2.59Å; L216-N220 PolarHBondContact O-OD1 3.16Å
217M95.8Very high81.9Confident0 Ų065.3 Ų65.30%034%0.34CS..Hα-helixtrans-59.5-46173.4-74.6-173.377.800111.2I11 V182 L184 V187 I198 I204 I213 I214 S219 N220 A221I11-M217 HydrophobicContact CD1-CB 3.59Å; V182-M217 HydrophobicContact CG1-CE 4.18Å; L184-M217 HydrophobicContact CD2-CB 4.28Å; L184-M217 HydrophobicContact CD2-CG 3.52Å; L184-M217 HydrophobicContact CG-CG 4.38Å; V187-M217 HydrophobicContact CB-CE 4.09Å; V187-M217 HydrophobicContact CG2-CE 3.87Å; I198-M217 HydrophobicContact CG2-CE 3.65Å; I204-M217 HydrophobicContact CD1-SD 3.85Å; I204-M217 HydrophobicContact CG1-SD 3.95Å; I213-M217 HydrophobicContact CG2-CG 4.38Å; I213-M217 HydrophobicContact CG2-SD 4.38Å; I213-M217 WeakPolarHBondContact O-CG 3.37Å; I213-M217 PolarHBondContact O-N 3.04Å; I214-M217 PolarHBondContact O-N 3.24Å; M217-S219 VanDerWaalsContact C-N 3.31Å; M217-S219 PolarHBondContact O-N 3.33Å; M217-N220 PolarHBondContact O-N 3.09Å; M217-A221 VanDerWaalsContact O-CB 3.25Å; M217-A221 WeakPolarHBondContact O-CB 3.4Å; M217-A221 PolarHBondContact O-N 2.96Å
218R93.8Very high79.3Confident80 Ų8066.4 Ų66.430%0.30235%0.352SS..Hα-helixtrans-61.4-39174.2-68.4-172.2-165.7-83.87.9112.4I9 I11 G34 D36 I214 K215 L216 A221 G222I9-R218 PolarHBondContact O-NH1 3.3Å; I11-R218 HydrophobicContact CD1-CB 4.47Å; I11-R218 HydrophobicContact CD1-CG 3.48Å; I11-R218 VanDerWaalsContact CD1-CG 3.48Å; I11-R218 HydrophobicContact CG1-CG 4.4Å; G34-R218 PolarHBondContact O-NH2 2.73Å; D36-R218 IonicContact OD1-CZ 2.81Å; D36-R218 IonicContact OD1-NH1 3.56Å; D36-R218 IonicContact OD1-NH2 2.75Å; D36-R218 PolarHBondContact OD1-NH2 2.67Å; D36-R218 IonicContact OD2-CZ 2.96Å; D36-R218 IonicContact OD2-NH1 3.75Å; D36-R218 PolarHBondContact OD2-NH1 3.11Å; D36-R218 IonicContact OD2-NH2 2.77Å; D36-R218 PolarHBondContact OD2-NH2 3.48Å; I214-R218 WeakPolarHBondContact O-CG 3.39Å; I214-R218 PolarHBondContact O-N 3.37Å; K215-R218 PolarHBondContact O-N 2.93Å; L216-R218 PolarHBondContact O-N 3.33Å; R218-A221 PolarHBondContact O-N 3.1Å; R218-G222 WeakPolarHBondContact O-CA 3.4Å; R218-G222 PolarHBondContact O-N 2.88Å
219S93.4Very high76.7Confident49 Ų4964.1 Ų64.134%0.34335%0.345SS..Hα-helixtrans-66.1-44.5178-57.70000111.1K215 L216 M217 A221 G222 Q223K215-S219 WeakPolarHBondContact O-CB 3.45Å; K215-S219 PolarHBondContact O-N 3.39Å; K215-S219 PolarHBondContact O-OG 3.03Å; L216-S219 WeakPolarHBondContact O-CB 3.23Å; L216-S219 PolarHBondContact O-N 3.32Å; L216-S219 VanDerWaalsContact O-N 3.16Å; M217-S219 VanDerWaalsContact C-N 3.31Å; M217-S219 PolarHBondContact O-N 3.33Å; S219-A221 VanDerWaalsContact C-N 3.31Å; S219-A221 PolarHBondContact O-N 2.92Å; S219-G222 PolarHBondContact O-N 3.44Å; S219-Q223 WeakPolarHBondContact O-CB 3.38Å; S219-Q223 VanDerWaalsContact O-CG 3.31Å; S219-Q223 WeakPolarHBondContact O-CG 3.36Å; S219-Q223 PolarHBondContact O-N 2.93Å
220N91.2Very high73.7Confident45 Ų4565.8 Ų65.824%0.24135%0.353CS..Hα-helixtrans-67.8-32.5177.9-69.45.7000112.1L184 V187 L216 M217L184-N220 PolarHBondContact O-ND2 3.49Å; V187-N220 HydrophobicContact CG1-CB 3.72Å; L216-N220 WeakPolarHBondContact O-CB 3.22Å; L216-N220 VanDerWaalsContact O-CG 3.32Å; L216-N220 PolarHBondContact O-N 2.59Å; L216-N220 PolarHBondContact O-OD1 3.16Å; M217-N220 PolarHBondContact O-N 3.09Å
221A84.8Confident70.7Confident2 Ų276.6 Ų76.62%0.01741%0.411CS..Hα-helixtrans-72.2-42.7171.800000112.8I9 V187 V191 M217 R218 S219I9-A221 HydrophobicContact CG1-CB 4.48Å; I9-A221 HydrophobicContact CG2-CB 4.14Å; V187-A221 HydrophobicContact CG2-CB 4.48Å; V191-A221 HydrophobicContact CB-CB 4.48Å; V191-A221 HydrophobicContact CG2-CB 3.78Å; M217-A221 VanDerWaalsContact O-CB 3.25Å; M217-A221 WeakPolarHBondContact O-CB 3.4Å; M217-A221 PolarHBondContact O-N 2.96Å; R218-A221 PolarHBondContact O-N 3.1Å; S219-A221 VanDerWaalsContact C-N 3.31Å; S219-A221 PolarHBondContact O-N 2.92Å
222G70.8Confident69.3Low26 Ų2678.6 Ų78.627%0.26842%0.415SS..Hα-helixtrans-93.8-11.1-16700000115.6R218 S219 L224 F225R218-G222 WeakPolarHBondContact O-CA 3.4Å; R218-G222 PolarHBondContact O-N 2.88Å; S219-G222 PolarHBondContact O-N 3.44Å; G222-L224 PolarHBondContact O-N 3.09Å; G222-F225 PolarHBondContact O-N 3.16Å
223Q55.9Low67.8Low111 Ų11178.7 Ų78.752%0.51942%0.416SS..THydrogen-bonded Turntrans-54.4-8.2172.9-91.1179.55.700113.9S219 S227S219-Q223 WeakPolarHBondContact O-CB 3.38Å; S219-Q223 VanDerWaalsContact O-CG 3.31Å; S219-Q223 WeakPolarHBondContact O-CG 3.36Å; S219-Q223 PolarHBondContact O-N 2.93Å; Q223-S227 PolarHBondContact O-OG 2.6Å
224L49.7Very low66.2Low17 Ų1782.7 Ų82.79%0.08944%0.437CS..THydrogen-bonded Turntrans-78.7-27.9174.1-59166.4000114.3I4 V191 E192 G222 N226 S227I4-L224 HydrophobicContact CD1-CB 3.64Å; I4-L224 HydrophobicContact CD1-CD1 3.58Å; I4-L224 HydrophobicContact CD1-CD2 4.21Å; I4-L224 HydrophobicContact CD1-CG 3.99Å; I4-L224 HydrophobicContact CG1-CD1 3.98Å; V191-L224 HydrophobicContact CG1-CD1 4.07Å; E192-L224 HydrophobicContact CG-CD1 3.74Å; E192-L224 HydrophobicContact CG-CD2 4.14Å; G222-L224 PolarHBondContact O-N 3.09Å; L224-N226 VanDerWaalsContact C-N 3.27Å; L224-N226 PolarHBondContact O-N 3.45Å; L224-S227 PolarHBondContact O-OG 3.06Å
225F47.5Very low64.3Low118 Ų11887.4 Ų87.452%0.51846%0.462SS..THydrogen-bonded Turntrans-72.7-22178.1-70.1-72.3000112.6G222G222-F225 PolarHBondContact O-N 3.16Å
226N43.4Very low62.3Low137 Ų13783.9 Ų83.973%0.73345%0.452SS*.SBendtrans-96.1-13.6179.6-81.12.2000114.3L224L224-N226 VanDerWaalsContact C-N 3.27Å; L224-N226 PolarHBondContact O-N 3.45Å
227S38.1Very low60Low75 Ų7585.3 Ų85.352%0.52446%0.46SS..THydrogen-bonded Turntrans-92.5-0.2-174.658.60000114.9Q223 L224Q223-S227 PolarHBondContact O-OG 2.6Å; L224-S227 PolarHBondContact O-OG 3.06Å
228T37.9Very low57.5Low103 Ų10391.4 Ų91.463%0.63249%0.493SS*.THydrogen-bonded Turntrans-109.312.4-179.638.40000114.6
229L32.9Very low54.7Low154 Ų15492.2 Ų92.281%0.80651%0.507SS*.SBendtrans-111.716175.2-72.1175.6000114.2
230I31.6Very low51.4Low129 Ų12995.8 Ų95.866%0.66252%0.521SS*.  trans-129.3113.4176.4-52.1177.6000108
231D33.4Very low47.8Very low233 Ų233100.5 Ų100.5100%1.24655%0.547SS*.  trans85.80171.6-50.8-22.4000119.1

Retrieved 231 of 231 residues in 868.5 ms (Link to these results)

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