A0A077ZEX0_TRITR Loading...

Phosphotransferase

AlphaFold DB , UniProt , Accession A0A077ZEX0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 452 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
1M35.7Very low61.4Low235 Ų235125 Ų125100%1.15865%0.649SS**  085.90-77.5171.978.200105.9N3M1-N3 PolarHBondContact O-N 3.35Å
2E37.9Very low64Low190 Ų190119.4 Ų119.489%0.88863%0.629SS**  trans-63.4117.2159.2-77.1174.9161.100104.6V4E2-V4 VanDerWaalsContact C-N 3.26Å; E2-V4 PolarHBondContact O-N 3.29Å
3N42.2Very low66.4Low133 Ų133110.4 Ų110.471%0.71158%0.581SS**  trans-51.9108.1159.6-97-11000104.2M1 D5M1-N3 PolarHBondContact O-N 3.35Å; N3-D5 PolarHBondContact O-N 2.88Å
4V42.2Very low68.6Low138 Ų138103.2 Ų103.284%0.83654%0.544SS*.  trans-65.576152.2-175.80000103.1E2 S6E2-V4 VanDerWaalsContact C-N 3.26Å; E2-V4 PolarHBondContact O-N 3.29Å; V4-S6 VanDerWaalsContact C-N 3.33Å; V4-S6 PolarHBondContact O-N 3.05Å
5D49.1Very low70.5Confident128 Ų128100.7 Ų100.768%0.68454%0.538SS*.  trans-47113.6157.9-91.2-22.3000102.6N3 M7N3-D5 PolarHBondContact O-N 2.88Å; D5-M7 WeakPolarHBondContact O-CA 3.47Å; D5-M7 PolarHBondContact O-N 2.91Å
6S53.2Low72.1Confident111 Ų11198.6 Ų98.678%0.77652%0.524SS*.  trans-51.999.5176.155.20000105.7V4 F8V4-S6 VanDerWaalsContact C-N 3.33Å; V4-S6 PolarHBondContact O-N 3.05Å; S6-F8 PolarHBondContact O-N 2.53Å
7M59.3Low73.7Confident134 Ų13492.9 Ų92.966%0.6649%0.494SS*.  trans-58.4118.5-169.4-162.6174.989.900105D5 Q9D5-M7 WeakPolarHBondContact O-CA 3.47Å; D5-M7 PolarHBondContact O-N 2.91Å; M7-Q9 HydrophobicContact CB-CG 4.33Å; M7-Q9 HydrophobicContact CE-CG 3.94Å; M7-Q9 WeakPolarHBondContact O-CB 3.42Å; M7-Q9 VanDerWaalsContact O-CG 3.24Å; M7-Q9 WeakPolarHBondContact O-CG 3.29Å; M7-Q9 PolarHBondContact O-N 2.94Å
8F82.2Confident75Confident69 Ų6994.5 Ų94.530%0.30350%0.501SS..  trans-58.9110.6-179.5179.1-102000106.8S6 V13 K299 L300 I305S6-F8 PolarHBondContact O-N 2.53Å; F8-V13 HydrophobicContact CD2-CG2 4.46Å; F8-V13 HydrophobicContact CE2-CG2 3.56Å; F8-V13 HydrophobicContact CZ-CG2 3.62Å; F8-K299 HydrophobicContact CE2-CD 4.13Å; F8-K299 HydrophobicContact CE2-CG 4.15Å; F8-K299 HydrophobicContact CZ-CD 4.24Å; F8-K299 HydrophobicContact CZ-CG 3.87Å; F8-K299 WeakPolarHBondContact CZ-O 3.47Å; F8-L300 HydrophobicContact CE1-CD2 4.31Å; F8-L300 HydrophobicContact CZ-CD2 4.35Å; F8-I305 HydrophobicContact CD1-CD1 3.35Å; F8-I305 HydrophobicContact CD1-CG1 3.77Å; F8-I305 HydrophobicContact CE1-CD1 3.36Å; F8-I305 HydrophobicContact CE1-CG1 3.87Å; F8-I305 HydrophobicContact CG-CD1 4.32Å; F8-I305 HydrophobicContact CZ-CD1 4.34Å; F8-I305 WeakPolarHBondContact O-CD1 3.49Å
9Q88.4Confident76.2Confident84 Ų8490.7 Ų90.739%0.39348%0.48SS..  trans-124.9148.1-168.4-84.3173.75.100109.8M7 E11 S12 V13M7-Q9 HydrophobicContact CB-CG 4.33Å; M7-Q9 HydrophobicContact CE-CG 3.94Å; M7-Q9 WeakPolarHBondContact O-CB 3.42Å; M7-Q9 VanDerWaalsContact O-CG 3.24Å; M7-Q9 WeakPolarHBondContact O-CG 3.29Å; M7-Q9 PolarHBondContact O-N 2.94Å; Q9-E11 PolarHBondContact O-N 3.35Å; Q9-S12 PolarHBondContact N-OG 2.98Å; Q9-S12 PolarHBondContact O-N 2.71Å; Q9-S12 PolarHBondContact O-OG 2.67Å; Q9-V13 PolarHBondContact O-N 3.24Å
10L91.6Very high77.3Confident27 Ų2790.5 Ų90.514%0.14148%0.479CS..Hα-helixtrans-55.9-44.1178.4175.962.6000110.9S12 V13 L14 L300 V359 V363L10-S12 VanDerWaalsContact C-N 3.32Å; L10-S12 PolarHBondContact O-N 3.08Å; L10-V13 WeakPolarHBondContact O-CB 3.19Å; L10-V13 PolarHBondContact O-N 3.31Å; L10-V13 VanDerWaalsContact O-N 3.15Å; L10-L14 HydrophobicContact CD1-CD1 3.73Å; L10-L14 HydrophobicContact CD1-CG 3.89Å; L10-L14 HydrophobicContact CD2-CD1 4.41Å; L10-L14 HydrophobicContact CG-CD1 3.84Å; L10-L14 HydrophobicContact CG-CG 4.26Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 3.36Å; L10-L300 HydrophobicContact CD1-CD1 3.62Å; L10-L300 HydrophobicContact CD1-CD2 3.89Å; L10-L300 HydrophobicContact CD1-CG 4.44Å; L10-V359 HydrophobicContact CD1-CG1 3.78Å; L10-V359 HydrophobicContact CD2-CB 4.44Å; L10-V359 HydrophobicContact CD2-CG1 3.9Å; L10-V359 HydrophobicContact CD2-CG2 3.98Å; L10-V359 HydrophobicContact CG-CG1 4.47Å; L10-V363 HydrophobicContact CD1-CG2 4.41Å
11E93.9Very high78.3Confident126 Ų12688.5 Ų88.559%0.58947%0.469SS*.Hα-helixtrans-61.5-41-178.7-62.977.9-173.700111.3Q9 V13 L14 S15Q9-E11 PolarHBondContact O-N 3.35Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 2.86Å; E11-L14 PolarHBondContact O-N 2.89Å; E11-S15 VanDerWaalsContact O-CB 3.23Å; E11-S15 WeakPolarHBondContact O-CB 3.31Å; E11-S15 PolarHBondContact O-N 2.84Å
12S92.2Very high81.3Confident58 Ų5884.7 Ų84.741%0.40645%0.449SS..Hα-helixtrans-62.1-39.1177.573.40000111.7Q9 L10 S15Q9-S12 PolarHBondContact N-OG 2.98Å; Q9-S12 PolarHBondContact O-N 2.71Å; Q9-S12 PolarHBondContact O-OG 2.67Å; L10-S12 VanDerWaalsContact C-N 3.32Å; L10-S12 PolarHBondContact O-N 3.08Å; S12-S15 PolarHBondContact O-OG 2.97Å
13V95.1Very high84.2Confident2 Ų277.2 Ų77.21%0.01242%0.417CS..Hα-helixtrans-71.4-45.5178.4165.70000111.6F8 Q9 L10 E11 Y264 V296 K299 L300F8-V13 HydrophobicContact CD2-CG2 4.46Å; F8-V13 HydrophobicContact CE2-CG2 3.56Å; F8-V13 HydrophobicContact CZ-CG2 3.62Å; Q9-V13 PolarHBondContact O-N 3.24Å; L10-V13 WeakPolarHBondContact O-CB 3.19Å; L10-V13 PolarHBondContact O-N 3.31Å; L10-V13 VanDerWaalsContact O-N 3.15Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 2.86Å; V13-Y264 WeakPolarHBondContact CG1-OH 3.2Å; V13-V296 HydrophobicContact CG1-CG1 3.75Å; V13-K299 HydrophobicContact CG2-CD 4.35Å; V13-L300 HydrophobicContact CB-CD2 4.12Å; V13-L300 HydrophobicContact CG1-CD2 4.09Å; V13-L300 HydrophobicContact CG1-CG 4.46Å; V13-L300 HydrophobicContact CG2-CD2 4.03Å
14L97.5Very high86.9Confident10 Ų1070.9 Ų70.95%0.05238%0.383CS..Hα-helixtrans-74.6-26.4-177.3-69-173.1000113.1L10 E11 E16 F17 V296 E362 V363 T366L10-L14 HydrophobicContact CD1-CD1 3.73Å; L10-L14 HydrophobicContact CD1-CG 3.89Å; L10-L14 HydrophobicContact CD2-CD1 4.41Å; L10-L14 HydrophobicContact CG-CD1 3.84Å; L10-L14 HydrophobicContact CG-CG 4.26Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 3.36Å; E11-L14 PolarHBondContact O-N 2.89Å; L14-E16 PolarHBondContact O-N 3.2Å; L14-E16 VanDerWaalsContact O-N 3.14Å; L14-F17 PolarHBondContact O-N 3.16Å; L14-V296 HydrophobicContact CD2-CG1 4.17Å; L14-E362 HydrophobicContact CD1-CG 3.87Å; L14-V363 HydrophobicContact CD2-CG2 4.1Å; L14-T366 HydrophobicContact CB-CG2 4.19Å; L14-T366 HydrophobicContact CD2-CG2 4.15Å
15S97Very high89.6Confident65 Ų6569.4 Ų69.446%0.45536%0.363SS..G310 helixtrans-56.2-30.3-179.169.50000113.9E11 S12 F17 I18E11-S15 VanDerWaalsContact O-CB 3.23Å; E11-S15 WeakPolarHBondContact O-CB 3.31Å; E11-S15 PolarHBondContact O-N 2.84Å; S12-S15 PolarHBondContact O-OG 2.97Å; S15-F17 PolarHBondContact O-N 3.47Å; S15-I18 PolarHBondContact O-N 3.26Å; S15-I18 VanDerWaalsContact O-N 3.1Å
16E96.5Very high91.9Very high67 Ų6770.2 Ų70.231%0.31336%0.356SS..G310 helixtrans-60-29176.8-69.8-175.2-123.200112.8L14 T262 Q263L14-E16 PolarHBondContact O-N 3.2Å; L14-E16 VanDerWaalsContact O-N 3.14Å; E16-T262 HydrophobicContact CB-CG2 3.74Å; E16-T262 VanDerWaalsContact O-CG2 3.23Å; E16-T262 WeakPolarHBondContact O-CG2 3.21Å; E16-Q263 VanDerWaalsContact OE1-CD 3.25Å; E16-Q263 PolarHBondContact OE1-NE2 2.96Å; E16-Q263 WeakPolarHBondContact OE2-CG 3.39Å; E16-Q263 PolarHBondContact OE2-N 2.83Å
17F98.6Very high94.1Very high3 Ų365 Ų651%0.01332%0.319CS..G310 helixtrans-88.1-10.5-179.4-65.5-85.6000113.2L14 S15 L19 T262 Y264 V296 T366 V367 R370L14-F17 PolarHBondContact O-N 3.16Å; S15-F17 PolarHBondContact O-N 3.47Å; F17-L19 PolarHBondContact O-N 3.32Å; F17-T262 HydrophobicContact CD1-CG2 3.94Å; F17-T262 HydrophobicContact CE1-CG2 4.01Å; F17-T262 HydrophobicContact CG-CG2 4.21Å; F17-T262 HydrophobicContact CZ-CG2 4.36Å; F17-Y264 HydrophobicContact CE1-CD2 4.49Å; F17-Y264 AromaticContact CE2-CD2 3.48Å; F17-Y264 HydrophobicContact CE2-CD2 3.48Å; F17-Y264 VanDerWaalsContact CE2-CD2 3.48Å; F17-Y264 AromaticContact CE2-CE2 3.67Å; F17-Y264 HydrophobicContact CE2-CE2 3.67Å; F17-Y264 HydrophobicContact CE2-CG 4.38Å; F17-Y264 AromaticContact CZ-CD2 3.37Å; F17-Y264 HydrophobicContact CZ-CD2 3.37Å; F17-Y264 HydrophobicContact CZ-CE2 4.04Å; F17-Y264 AromaticContact CZ-CG 3.9Å; F17-Y264 HydrophobicContact CZ-CG 3.9Å; F17-V296 HydrophobicContact CE2-CG2 3.51Å; F17-V296 HydrophobicContact CZ-CG2 3.62Å; F17-T366 HydrophobicContact CB-CG2 3.71Å; F17-T366 HydrophobicContact CG-CG2 4.44Å; F17-V367 HydrophobicContact CD1-CG2 4.12Å; F17-V367 HydrophobicContact CD2-CG2 4.47Å; F17-V367 HydrophobicContact CE1-CG1 4.43Å; F17-V367 HydrophobicContact CE1-CG2 3.94Å; F17-V367 HydrophobicContact CE2-CG2 4.31Å; F17-V367 HydrophobicContact CG-CG2 4.38Å; F17-V367 HydrophobicContact CZ-CG2 4.03Å; F17-R370 HydrophobicContact CB-CB 4.08Å; F17-R370 HydrophobicContact CB-CG 4.15Å; F17-R370 HydrophobicContact CD1-CB 4.43Å; F17-R370 HydrophobicContact CD1-CG 4.25Å; F17-R370 VanDerWaalsContact O-CB 3.26Å; F17-R370 WeakPolarHBondContact O-CB 3.25Å; F17-R370 WeakPolarHBondContact O-CG 3.38Å
18I98.2Very high96Very high121 Ų12159.3 Ų59.362%0.62129%0.291SS*.  trans-87.1109.8-176.3-57.8178.1000108.8S15S15-I18 PolarHBondContact O-N 3.26Å; S15-I18 VanDerWaalsContact O-N 3.1Å
19L98Very high96.7Very high22 Ų2263 Ų6312%0.11530%0.304CS..  trans-106.5126.4177.6-61174.2000110.3F17 L24 I260 R370 L374F17-L19 PolarHBondContact O-N 3.32Å; L19-L24 HydrophobicContact CB-CD2 4.12Å; L19-L24 HydrophobicContact CB-CG 4.29Å; L19-L24 HydrophobicContact CD1-CD2 4.03Å; L19-I260 HydrophobicContact CD1-CB 4.21Å; L19-I260 HydrophobicContact CD1-CG2 4.09Å; L19-I260 HydrophobicContact CD2-CB 4.34Å; L19-I260 HydrophobicContact CD2-CG2 4.06Å; L19-R370 HydrophobicContact CD1-CG 4.37Å; L19-L374 HydrophobicContact CD1-CD2 3.46Å; L19-L374 VanDerWaalsContact CD1-CD2 3.46Å; L19-L374 HydrophobicContact CD1-CG 4Å
20D97.8Very high97.2Very high86 Ų8660.3 Ų60.346%0.4629%0.294SS..  trans-78.3168.317265.210.8000112.1E22 S23 L24D20-E22 PolarHBondContact O-N 3.03Å; D20-E22 PolarHBondContact OD1-N 3.49Å; D20-S23 PolarHBondContact O-N 3.21Å; D20-S23 WeakPolarHBondContact OD1-CB 3.38Å; D20-S23 PolarHBondContact OD1-N 3.29Å; D20-S23 PolarHBondContact OD1-OG 2.89Å; D20-L24 WeakPolarHBondContact O-CG 3.13Å; D20-L24 PolarHBondContact O-N 3Å; D20-L24 VanDerWaalsContact O-N 3.09Å
21N98.4Very high97.6Very high50 Ų5059 Ų5927%0.26729%0.287SS..Hα-helixtrans-67.2-24.2-179.1-74-3.7000112.3R25 K413 E416 L417N21-R25 WeakPolarHBondContact O-CB 3.04Å; N21-R25 VanDerWaalsContact O-CG 3.22Å; N21-R25 WeakPolarHBondContact O-CG 3.36Å; N21-R25 PolarHBondContact O-N 2.93Å; N21-K413 PolarHBondContact OD1-NZ 3.15Å; N21-E416 PolarHBondContact ND2-OE2 3.37Å; N21-E416 PolarHBondContact OD1-OE2 3.41Å; N21-L417 HydrophobicContact CB-CD2 4.32Å
22E98.3Very high97.8Very high155 Ų15555.5 Ų55.572%0.72427%0.272SS*.Hα-helixtrans-66-46.5174.5-173.2177.7164.600110.9D20 L24 R25 R26D20-E22 PolarHBondContact O-N 3.03Å; D20-E22 PolarHBondContact OD1-N 3.49Å; E22-L24 VanDerWaalsContact C-N 3.35Å; E22-L24 PolarHBondContact O-N 3.27Å; E22-R25 PolarHBondContact O-N 3.37Å; E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 PolarHBondContact O-N 2.96Å
23S98.5Very high98.1Very high33 Ų3357.5 Ų57.523%0.23127%0.273CS..Hα-helixtrans-61.4-42.7175.5-59.20000111.6D20 R26 M27D20-S23 PolarHBondContact O-N 3.21Å; D20-S23 WeakPolarHBondContact OD1-CB 3.38Å; D20-S23 PolarHBondContact OD1-N 3.29Å; D20-S23 PolarHBondContact OD1-OG 2.89Å; S23-R26 WeakPolarHBondContact O-CB 3.39Å; S23-R26 PolarHBondContact O-N 3.28Å; S23-M27 PolarHBondContact O-N 3.34Å
24L98.8Very high98.2Very high0 Ų059 Ų590%028%0.281CS..Hα-helixtrans-66.9-38.2176.9-63.3174.5000112.1L19 D20 E22 M27 M28 N373 L374 A377 K413 L417L19-L24 HydrophobicContact CB-CD2 4.12Å; L19-L24 HydrophobicContact CB-CG 4.29Å; L19-L24 HydrophobicContact CD1-CD2 4.03Å; D20-L24 WeakPolarHBondContact O-CG 3.13Å; D20-L24 PolarHBondContact O-N 3Å; D20-L24 VanDerWaalsContact O-N 3.09Å; E22-L24 VanDerWaalsContact C-N 3.35Å; E22-L24 PolarHBondContact O-N 3.27Å; L24-M27 WeakPolarHBondContact O-CB 3.31Å; L24-M27 PolarHBondContact O-N 2.88Å; L24-M28 WeakPolarHBondContact O-CG 3.35Å; L24-M28 PolarHBondContact O-N 3.48Å; L24-N373 HydrophobicContact CD1-CB 4.1Å; L24-N373 HydrophobicContact CD2-CB 4.49Å; L24-L374 HydrophobicContact CD2-CD2 4.08Å; L24-A377 HydrophobicContact CB-CB 4.15Å; L24-A377 HydrophobicContact CD2-CB 4.08Å; L24-K413 HydrophobicContact CD1-CD 3.83Å; L24-K413 HydrophobicContact CD1-CG 4.27Å; L24-L417 HydrophobicContact CB-CD1 4.02Å; L24-L417 HydrophobicContact CB-CD2 4.03Å; L24-L417 HydrophobicContact CD1-CD1 4.12Å
25R98.6Very high98.3Very high107 Ų10758.6 Ų58.640%0.40428%0.278SS..Hα-helixtrans-67-37.7173.4-76.4-175-167.4-49.4-1.7112.6N21 E22 M27 M28 Y29 E416 L417N21-R25 WeakPolarHBondContact O-CB 3.04Å; N21-R25 VanDerWaalsContact O-CG 3.22Å; N21-R25 WeakPolarHBondContact O-CG 3.36Å; N21-R25 PolarHBondContact O-N 2.93Å; E22-R25 PolarHBondContact O-N 3.37Å; R25-M27 VanDerWaalsContact C-N 3.32Å; R25-M28 HydrophobicContact CG-SD 4.45Å; R25-M28 PolarHBondContact O-N 3.01Å; R25-Y29 PolarHBondContact O-N 2.86Å; R25-E416 PolarHBondContact NH2-O 3.1Å; R25-L417 HydrophobicContact CG-CD2 4.22Å; R25-L417 PolarHBondContact NH1-O 3.27Å
26R98.5Very high98.4Very high145 Ų14559 Ų5955%0.54728%0.275SS..Hα-helixtrans-60.9-43.8171.6-177.4-177.4171.7-176.2-1.6110.6E22 S23 Y29 V30 F259E22-R26 WeakPolarHBondContact O-CB 3.46Å; E22-R26 PolarHBondContact O-N 2.96Å; S23-R26 WeakPolarHBondContact O-CB 3.39Å; S23-R26 PolarHBondContact O-N 3.28Å; R26-Y29 PolarHBondContact O-N 2.89Å; R26-V30 WeakPolarHBondContact O-CG2 3.41Å; R26-V30 PolarHBondContact O-N 3.04Å; R26-F259 HydrophobicContact CB-CE2 3.93Å; R26-F259 HydrophobicContact CB-CZ 4.15Å; R26-F259 HydrophobicContact CG-CD2 4.41Å; R26-F259 HydrophobicContact CG-CE1 4.17Å; R26-F259 HydrophobicContact CG-CE2 3.76Å; R26-F259 HydrophobicContact CG-CZ 3.64Å
27M98.7Very high98.5Very high0 Ų058 Ų580%028%0.275CS..Hα-helixtrans-57.5-49.9173.3175.8-168.3158.100111.5S23 L24 R25 Y29 V30 L31 F251 F259 I260 F280 L374 A377 A378S23-M27 PolarHBondContact O-N 3.34Å; L24-M27 WeakPolarHBondContact O-CB 3.31Å; L24-M27 PolarHBondContact O-N 2.88Å; R25-M27 VanDerWaalsContact C-N 3.32Å; M27-Y29 VanDerWaalsContact C-N 3.32Å; M27-Y29 PolarHBondContact O-N 2.91Å; M27-V30 PolarHBondContact O-N 2.95Å; M27-L31 HydrophobicContact CE-CD2 4.42Å; M27-L31 VanDerWaalsContact O-CB 3.27Å; M27-L31 WeakPolarHBondContact O-CB 3.36Å; M27-L31 PolarHBondContact O-N 3.36Å; M27-F251 HydrophobicContact CE-CD1 4.46Å; M27-F251 HydrophobicContact CE-CE1 4.36Å; M27-F251 HydrophobicContact CG-CE1 3.68Å; M27-F251 HydrophobicContact CG-CZ 3.97Å; M27-F251 HydrophobicContact SD-CE1 4.5Å; M27-F259 HydrophobicContact CB-CE2 4.34Å; M27-F259 HydrophobicContact CB-CZ 4.21Å; M27-I260 HydrophobicContact CG-CD1 4.33Å; M27-I260 HydrophobicContact SD-CD1 3.97Å; M27-F280 HydrophobicContact CE-CD2 4.13Å; M27-F280 HydrophobicContact CE-CE1 4.49Å; M27-F280 HydrophobicContact CE-CE2 3.18Å; M27-F280 HydrophobicContact CE-CZ 3.41Å; M27-F280 VanDerWaalsContact CE-CZ 3.41Å; M27-F280 HydrophobicContact SD-CE2 4.15Å; M27-L374 HydrophobicContact SD-CD2 3.59Å; M27-L374 VanDerWaalsContact SD-CD2 3.59Å; M27-A377 HydrophobicContact CE-CB 4.35Å; M27-A377 HydrophobicContact SD-CB 4Å; M27-A378 HydrophobicContact CE-CB 4.12Å
28M98.7Very high98.5Very high15 Ų1557.8 Ų57.87%0.07428%0.275CS..Hα-helixtrans-55.8-45.7177.8-67.5165.665.100111.9L24 R25 V30 L31 D32 A377 A380 C381 L417L24-M28 WeakPolarHBondContact O-CG 3.35Å; L24-M28 PolarHBondContact O-N 3.48Å; R25-M28 HydrophobicContact CG-SD 4.45Å; R25-M28 PolarHBondContact O-N 3.01Å; M28-V30 PolarHBondContact O-N 2.79Å; M28-L31 PolarHBondContact O-N 2.91Å; M28-D32 PolarHBondContact O-N 2.95Å; M28-A377 HydrophobicContact CG-CB 4.17Å; M28-A377 VanDerWaalsContact CG-O 3.32Å; M28-A377 WeakPolarHBondContact CG-O 3.48Å; M28-A380 HydrophobicContact CE-CB 3.82Å; M28-A380 HydrophobicContact SD-CB 4.25Å; M28-C381 HydrophobicContact CB-CB 4.13Å; M28-C381 HydrophobicContact CG-CB 4.09Å; M28-C381 PolarHBondContact O-SG 2.94Å; M28-L417 HydrophobicContact CE-CB 4.46Å; M28-L417 HydrophobicContact SD-CB 3.92Å; M28-L417 HydrophobicContact SD-CD1 4.27Å; M28-L417 HydrophobicContact SD-CD2 4.32Å; M28-L417 HydrophobicContact SD-CG 4.4Å
29Y98.5Very high98.5Very high147 Ų14752.2 Ų52.258%0.57625%0.246SC*.Hα-helixtrans-61.5-43.1178.6176.7-102.3000113R25 R26 M27 K33R25-Y29 PolarHBondContact O-N 2.86Å; R26-Y29 PolarHBondContact O-N 2.89Å; M27-Y29 VanDerWaalsContact C-N 3.32Å; M27-Y29 PolarHBondContact O-N 2.91Å; Y29-K33 HydrophobicContact CE1-CD 4.08Å; Y29-K33 VanDerWaalsContact CE1-CE 3.48Å; Y29-K33 VanDerWaalsContact CE1-NZ 3.34Å; Y29-K33 VanDerWaalsContact CZ-NZ 3.29Å; Y29-K33 PolarHBondContact O-N 3.07Å; Y29-K33 WeakPolarHBondContact OH-CE 3.47Å; Y29-K33 PolarHBondContact OH-NZ 3.23Å
30V98.5Very high98.5Very high27 Ų2753.4 Ų53.416%0.16426%0.259CS..Hα-helixtrans-71-39.8178.2-1780000110.5R26 M27 M28 K33 Q34 F251 E256 F259R26-V30 WeakPolarHBondContact O-CG2 3.41Å; R26-V30 PolarHBondContact O-N 3.04Å; M27-V30 PolarHBondContact O-N 2.95Å; M28-V30 PolarHBondContact O-N 2.79Å; V30-K33 WeakPolarHBondContact O-CB 3.38Å; V30-K33 PolarHBondContact O-N 3.39Å; V30-Q34 WeakPolarHBondContact O-CG 3.33Å; V30-Q34 PolarHBondContact O-N 2.97Å; V30-F251 HydrophobicContact CB-CE2 4.17Å; V30-F251 HydrophobicContact CB-CZ 4.26Å; V30-F251 HydrophobicContact CG1-CE2 3.82Å; V30-F251 HydrophobicContact CG1-CZ 4.19Å; V30-E256 HydrophobicContact CG1-CB 3.81Å; V30-E256 HydrophobicContact CG1-CG 4.04Å; V30-F259 HydrophobicContact CG2-CE1 4.49Å
31L98.8Very high98.4Very high1 Ų150.4 Ų50.41%0.00525%0.249CC..Hα-helixtrans-61.4-48177.3178.859.2000111.6M27 M28 K33 Q34 M35 V48 W248 F251 A378 C381M27-L31 HydrophobicContact CE-CD2 4.42Å; M27-L31 VanDerWaalsContact O-CB 3.27Å; M27-L31 WeakPolarHBondContact O-CB 3.36Å; M27-L31 PolarHBondContact O-N 3.36Å; M28-L31 PolarHBondContact O-N 2.91Å; L31-K33 VanDerWaalsContact C-N 3.28Å; L31-K33 PolarHBondContact O-N 2.84Å; L31-Q34 CarbonylContact O-C 3.08Å; L31-Q34 WeakPolarHBondContact O-CA 3.37Å; L31-Q34 WeakPolarHBondContact O-CB 3.44Å; L31-Q34 PolarHBondContact O-N 2.68Å; L31-M35 HydrophobicContact CD1-CG 4.46Å; L31-M35 HydrophobicContact CG-SD 4.37Å; L31-M35 WeakPolarHBondContact O-CG 3.25Å; L31-M35 PolarHBondContact O-N 2.92Å; L31-V48 HydrophobicContact CD1-CG2 3.8Å; L31-W248 HydrophobicContact CD1-CB 4.47Å; L31-F251 HydrophobicContact CB-CD2 4.31Å; L31-F251 HydrophobicContact CB-CE2 4.07Å; L31-F251 HydrophobicContact CD1-CB 4.29Å; L31-F251 HydrophobicContact CD1-CD2 3.86Å; L31-F251 HydrophobicContact CD1-CE2 4.46Å; L31-F251 HydrophobicContact CD1-CG 4.16Å; L31-A378 HydrophobicContact CD2-CB 3.91Å; L31-C381 HydrophobicContact CD2-CB 3.97Å
32D98.6Very high98.3Very high51 Ų5148.4 Ų48.427%0.27324%0.239SC..Hα-helixtrans-60.2-38.4177.2-179.766.4000111.9M28 M35 N36 R385M28-D32 PolarHBondContact O-N 2.95Å; D32-M35 WeakPolarHBondContact O-CB 3.34Å; D32-M35 PolarHBondContact O-N 2.9Å; D32-N36 PolarHBondContact O-N 3.29Å; D32-N36 PolarHBondContact O-ND2 3.04Å; D32-N36 VanDerWaalsContact O-ND2 3.08Å; D32-N36 PolarHBondContact OD2-ND2 2.8Å; D32-R385 IonicContact OD1-NH1 3.29Å; D32-R385 PolarHBondContact OD1-NH1 3.12Å
33K98.4Very high98.1Very high100 Ų10043.8 Ų43.844%0.43522%0.22SC..Hα-helixtrans-61-44.5171.8-76.8-173.6174.9-179.10112.5Y29 V30 L31 M35 N36 S37Y29-K33 HydrophobicContact CE1-CD 4.08Å; Y29-K33 VanDerWaalsContact CE1-CE 3.48Å; Y29-K33 VanDerWaalsContact CE1-NZ 3.34Å; Y29-K33 VanDerWaalsContact CZ-NZ 3.29Å; Y29-K33 PolarHBondContact O-N 3.07Å; Y29-K33 WeakPolarHBondContact OH-CE 3.47Å; Y29-K33 PolarHBondContact OH-NZ 3.23Å; V30-K33 WeakPolarHBondContact O-CB 3.38Å; V30-K33 PolarHBondContact O-N 3.39Å; L31-K33 VanDerWaalsContact C-N 3.28Å; L31-K33 PolarHBondContact O-N 2.84Å; K33-M35 VanDerWaalsContact C-N 3.31Å; K33-M35 PolarHBondContact O-N 3.46Å; K33-N36 PolarHBondContact O-N 3.42Å; K33-S37 PolarHBondContact O-N 3.41Å; K33-S37 PolarHBondContact O-OG 3Å
34Q98.4Very high97.9Very high35 Ų3550.4 Ų50.416%0.16424%0.244CC..Hα-helixtrans-62.9-38.3175.6-67.1-55.8-44.800111.3V30 L31 S37 G38 S46 V48 F251 E256V30-Q34 WeakPolarHBondContact O-CG 3.33Å; V30-Q34 PolarHBondContact O-N 2.97Å; L31-Q34 CarbonylContact O-C 3.08Å; L31-Q34 WeakPolarHBondContact O-CA 3.37Å; L31-Q34 WeakPolarHBondContact O-CB 3.44Å; L31-Q34 PolarHBondContact O-N 2.68Å; Q34-S37 PolarHBondContact O-N 2.83Å; Q34-G38 PolarHBondContact O-N 3.47Å; Q34-S46 WeakPolarHBondContact CB-OG 3.27Å; Q34-S46 WeakPolarHBondContact O-CB 3.4Å; Q34-S46 PolarHBondContact O-OG 2.91Å; Q34-S46 PolarHBondContact OE1-OG 3.04Å; Q34-S46 VanDerWaalsContact OE1-OG 3.13Å; Q34-V48 HydrophobicContact CB-CB 3.95Å; Q34-V48 HydrophobicContact CB-CG2 3.69Å; Q34-V48 HydrophobicContact CG-CG2 4.49Å; Q34-F251 HydrophobicContact CG-CD2 4.3Å; Q34-F251 HydrophobicContact CG-CE2 4.45Å; Q34-E256 HydrophobicContact CG-CG 4.22Å
35M98.7Very high97.8Very high1 Ų154.1 Ų54.11%0.00526%0.264CS..Hα-helixtrans-62.9-44.6174.6-66.3175.87100111.7L31 D32 K33 S37 G38 L39 V48 M50 Y222 T246 V382L31-M35 HydrophobicContact CD1-CG 4.46Å; L31-M35 HydrophobicContact CG-SD 4.37Å; L31-M35 WeakPolarHBondContact O-CG 3.25Å; L31-M35 PolarHBondContact O-N 2.92Å; D32-M35 WeakPolarHBondContact O-CB 3.34Å; D32-M35 PolarHBondContact O-N 2.9Å; K33-M35 VanDerWaalsContact C-N 3.31Å; K33-M35 PolarHBondContact O-N 3.46Å; M35-S37 PolarHBondContact O-N 3.46Å; M35-G38 PolarHBondContact O-N 3.44Å; M35-L39 WeakPolarHBondContact O-CG 3.14Å; M35-L39 PolarHBondContact O-N 3.4Å; M35-V48 HydrophobicContact CG-CG1 3.89Å; M35-M50 HydrophobicContact CB-CE 4.02Å; M35-M50 HydrophobicContact CB-CG 4.44Å; M35-M50 HydrophobicContact CB-SD 3.77Å; M35-M50 HydrophobicContact CE-CE 3.65Å; M35-M50 HydrophobicContact CE-SD 3.95Å; M35-M50 HydrophobicContact CG-CE 4.34Å; M35-M50 HydrophobicContact CG-SD 3.72Å; M35-M50 WeakPolarHBondContact O-CG 3.36Å; M35-Y222 HydrophobicContact CE-CE1 3.83Å; M35-T246 HydrophobicContact CE-CG2 4.1Å; M35-V382 HydrophobicContact CE-CG1 4.47Å; M35-V382 HydrophobicContact CE-CG2 3.88Å; M35-V382 HydrophobicContact SD-CG2 4.09Å
36N98.5Very high97.7Very high73 Ų7349 Ų4939%0.3925%0.245SC..Hα-helixtrans-60.4-44.7175.2-71.7-43.9000111.9D32 K33 G38 L39 A40 R385D32-N36 PolarHBondContact O-N 3.29Å; D32-N36 PolarHBondContact O-ND2 3.04Å; D32-N36 VanDerWaalsContact O-ND2 3.08Å; D32-N36 PolarHBondContact OD2-ND2 2.8Å; K33-N36 PolarHBondContact O-N 3.42Å; N36-G38 VanDerWaalsContact C-N 3.33Å; N36-G38 PolarHBondContact O-N 2.93Å; N36-L39 PolarHBondContact O-N 2.93Å; N36-A40 WeakPolarHBondContact O-CB 2.93Å; N36-A40 PolarHBondContact O-N 2.83Å; N36-A40 VanDerWaalsContact O-N 3.07Å; N36-R385 PolarHBondContact OD1-NH1 3.5Å; N36-R385 PolarHBondContact OD1-NH2 2.87Å
37S98.5Very high97.6Very high45 Ų4542.5 Ų42.532%0.31522%0.221SC..Hα-helixtrans-63.2-37.3174.1-64.60000112.5K33 Q34 M35 A40 G41K33-S37 PolarHBondContact O-N 3.41Å; K33-S37 PolarHBondContact O-OG 3Å; Q34-S37 PolarHBondContact O-N 2.83Å; M35-S37 PolarHBondContact O-N 3.46Å; S37-A40 WeakPolarHBondContact O-CB 3.21Å; S37-A40 PolarHBondContact O-N 3.12Å; S37-G41 PolarHBondContact O-N 2.85Å
38G98.4Very high97.6Very high0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-67.2-37.9178.100000113.3Q34 M35 N36 A40 G42 V48 K231Q34-G38 PolarHBondContact O-N 3.47Å; M35-G38 PolarHBondContact O-N 3.44Å; N36-G38 VanDerWaalsContact C-N 3.33Å; N36-G38 PolarHBondContact O-N 2.93Å; G38-A40 VanDerWaalsContact C-N 3.31Å; G38-G42 WeakPolarHBondContact O-CA 3.35Å; G38-G42 PolarHBondContact O-N 2.69Å; G38-V48 VanDerWaalsContact CA-O 3.31Å; G38-V48 WeakPolarHBondContact CA-O 3.34Å; G38-K231 WeakPolarHBondContact O-CD 3.43Å; G38-K231 PolarHBondContact O-NZ 3.32Å
39L98.5Very high97.5Very high4 Ų441.9 Ų41.92%0.02122%0.218CC..Hα-helixtrans-68.7-31.7171.4-69.9170.2000112.1M35 N36 M50 E224 I229 V230 K231 V244M35-L39 WeakPolarHBondContact O-CG 3.14Å; M35-L39 PolarHBondContact O-N 3.4Å; N36-L39 PolarHBondContact O-N 2.93Å; L39-M50 HydrophobicContact CD1-CE 4Å; L39-M50 HydrophobicContact CD2-CB 3.89Å; L39-M50 HydrophobicContact CD2-CE 3.91Å; L39-M50 HydrophobicContact CD2-CG 4.42Å; L39-M50 HydrophobicContact CG-CB 4.04Å; L39-M50 HydrophobicContact CG-CE 3.8Å; L39-M50 HydrophobicContact CG-CG 4.08Å; L39-E224 HydrophobicContact CD1-CG 4.39Å; L39-E224 HydrophobicContact CD2-CG 4.32Å; L39-I229 HydrophobicContact CD2-CB 4.41Å; L39-I229 HydrophobicContact CD2-CG1 4.04Å; L39-I229 HydrophobicContact CD2-CG2 4.28Å; L39-V230 PolarHBondContact O-N 3.33Å; L39-V230 VanDerWaalsContact O-N 3.14Å; L39-K231 WeakPolarHBondContact O-CG 3.29Å; L39-K231 PolarHBondContact O-N 2.82Å; L39-V244 HydrophobicContact CD2-CG1 4.43Å
40A98.3Very high97.5Very high46 Ų4634.9 Ų34.938%0.3819%0.191SC..Hα-helixtrans-72.5-48.4178.700000113.4N36 S37 G38 K231N36-A40 WeakPolarHBondContact O-CB 2.93Å; N36-A40 PolarHBondContact O-N 2.83Å; N36-A40 VanDerWaalsContact O-N 3.07Å; S37-A40 WeakPolarHBondContact O-CB 3.21Å; S37-A40 PolarHBondContact O-N 3.12Å; G38-A40 VanDerWaalsContact C-N 3.31Å; A40-K231 WeakPolarHBondContact O-CB 3.22Å; A40-K231 PolarHBondContact O-N 3.3Å
41G97Very high97.4Very high24 Ų2434.1 Ų34.125%0.24719%0.186CC..Hα-helixtrans-144.99.9-172.100000116.2S37 D45S37-G41 PolarHBondContact O-N 2.85Å; G41-D45 WeakPolarHBondContact CA-OD2 3.31Å
42G95.8Very high97.4Very high7 Ų734.3 Ų34.37%0.07219%0.187CC..G310 helixtrans62.5-146.9178.300000113.4G38 K44 D45 S46G38-G42 WeakPolarHBondContact O-CA 3.35Å; G38-G42 PolarHBondContact O-N 2.69Å; G42-K44 PolarHBondContact O-N 3.04Å; G42-K44 VanDerWaalsContact O-N 3.08Å; G42-D45 PolarHBondContact O-N 2.89Å; G42-S46 PolarHBondContact O-N 3.48Å
43L93.4Very high97.4Very high59 Ų5931.9 Ų31.931%0.30917%0.174SC..G310 helixtrans-60.4-19.2-176.6-79177.1000114.9S46 A49 L154 R254L43-S46 CarbonylContact C-O 3.59Å; L43-S46 VanDerWaalsContact CA-O 3.27Å; L43-S46 WeakPolarHBondContact CA-O 3.37Å; L43-A49 HydrophobicContact CD2-CB 3.67Å; L43-A49 HydrophobicContact CG-CB 3.72Å; L43-L154 HydrophobicContact CD1-CD1 3.87Å; L43-R254 PolarHBondContact O-NH2 3.16Å
44K94.4Very high97.3Very high171 Ų17128.1 Ų28.174%0.74316%0.158SC*.G310 helixtrans-65-46.7174.5-173.7-173173.4-1720110G42 R254G42-K44 PolarHBondContact O-N 3.04Å; G42-K44 VanDerWaalsContact O-N 3.08Å; K44-R254 PolarHBondContact O-NH1 2.92Å; K44-R254 PolarHBondContact O-NH2 3.34Å
45D96.2Very high97.3Very high78 Ų7826.4 Ų26.442%0.41715%0.15SC..THydrogen-bonded Turntrans-100.3-13.8-169.1-63.3-9.2000112.8G41 G42G41-D45 WeakPolarHBondContact CA-OD2 3.31Å; G42-D45 PolarHBondContact O-N 2.89Å
46S97.7Very high97.2Very high0 Ų026.7 Ų26.70%015%0.151CC..  trans-144.6155.1-177.1-172.90000112.8Q34 G42 L43 V48Q34-S46 WeakPolarHBondContact CB-OG 3.27Å; Q34-S46 WeakPolarHBondContact O-CB 3.4Å; Q34-S46 PolarHBondContact O-OG 2.91Å; Q34-S46 PolarHBondContact OE1-OG 3.04Å; Q34-S46 VanDerWaalsContact OE1-OG 3.13Å; G42-S46 PolarHBondContact O-N 3.48Å; L43-S46 CarbonylContact C-O 3.59Å; L43-S46 VanDerWaalsContact CA-O 3.27Å; L43-S46 WeakPolarHBondContact CA-O 3.37Å; S46-V48 WeakPolarHBondContact CB-O 3.47Å; S46-V48 PolarHBondContact OG-N 3.02Å; S46-V48 PolarHBondContact OG-O 3.22Å
47T96.1Very high97.1Very high9 Ų926.1 Ų26.16%0.05514%0.144CC..SBendtrans-81.8-22165.2540000112.5G250 D253 R254 E256T47-G250 VanDerWaalsContact CB-O 3.29Å; T47-G250 WeakPolarHBondContact CB-O 3.22Å; T47-D253 HydrophobicContact CG2-CB 3.78Å; T47-R254 HydrophobicContact CG2-CB 3.91Å; T47-R254 HydrophobicContact CG2-CG 3.51Å; T47-E256 WeakPolarHBondContact CB-OE1 3.49Å; T47-E256 WeakPolarHBondContact CG2-OE1 3.48Å; T47-E256 PolarHBondContact OG1-OE1 3.41Å
48V97.9Very high97Very high0 Ų025.7 Ų25.70%014%0.138CC..SBendtrans-95.699.7174.5-178.60000107.2L31 Q34 M35 G38 S46 M50 T246 W248 F251L31-V48 HydrophobicContact CD1-CG2 3.8Å; Q34-V48 HydrophobicContact CB-CB 3.95Å; Q34-V48 HydrophobicContact CB-CG2 3.69Å; Q34-V48 HydrophobicContact CG-CG2 4.49Å; M35-V48 HydrophobicContact CG-CG1 3.89Å; G38-V48 VanDerWaalsContact CA-O 3.31Å; G38-V48 WeakPolarHBondContact CA-O 3.34Å; S46-V48 WeakPolarHBondContact CB-O 3.47Å; S46-V48 PolarHBondContact OG-N 3.02Å; S46-V48 PolarHBondContact OG-O 3.22Å; V48-M50 HydrophobicContact CG1-CG 4.34Å; V48-M50 HydrophobicContact CG1-SD 3.88Å; V48-M50 PolarHBondContact O-N 3.25Å; V48-T246 WeakPolarHBondContact CG1-O 3.33Å; V48-W248 HydrophobicContact CG1-CB 4.49Å; V48-F251 HydrophobicContact CG2-CB 4.07Å; V48-F251 HydrophobicContact CG2-CD2 4.41Å
49A96.1Very high96.8Very high1 Ų126.3 Ų26.31%0.00814%0.142CC..  trans-72.4-25.2-161.400000114.4L43 L51 K231 T246 E247L43-A49 HydrophobicContact CD2-CB 3.67Å; L43-A49 HydrophobicContact CG-CB 3.72Å; A49-L51 HydrophobicContact CB-CD1 4.48Å; A49-L51 HydrophobicContact CB-CD2 3.7Å; A49-L51 HydrophobicContact CB-CG 3.79Å; A49-L51 PolarHBondContact O-N 3.5Å; A49-K231 PolarHBondContact O-NZ 2.68Å; A49-T246 PolarHBondContact N-O 3.16Å; A49-E247 HydrophobicContact CB-CB 4.08Å
50M98.4Very high96.6Very high0 Ų030.7 Ų30.70%017%0.165CC..  trans52.950.2-177.6-54.8-64.7-70.100112.3M35 L39 V48 Y222 K231 V244 D245 T246M35-M50 HydrophobicContact CB-CE 4.02Å; M35-M50 HydrophobicContact CB-CG 4.44Å; M35-M50 HydrophobicContact CB-SD 3.77Å; M35-M50 HydrophobicContact CE-CE 3.65Å; M35-M50 HydrophobicContact CE-SD 3.95Å; M35-M50 HydrophobicContact CG-CE 4.34Å; M35-M50 HydrophobicContact CG-SD 3.72Å; M35-M50 WeakPolarHBondContact O-CG 3.36Å; L39-M50 HydrophobicContact CD1-CE 4Å; L39-M50 HydrophobicContact CD2-CB 3.89Å; L39-M50 HydrophobicContact CD2-CE 3.91Å; L39-M50 HydrophobicContact CD2-CG 4.42Å; L39-M50 HydrophobicContact CG-CB 4.04Å; L39-M50 HydrophobicContact CG-CE 3.8Å; L39-M50 HydrophobicContact CG-CG 4.08Å; V48-M50 HydrophobicContact CG1-CG 4.34Å; V48-M50 HydrophobicContact CG1-SD 3.88Å; V48-M50 PolarHBondContact O-N 3.25Å; M50-Y222 HydrophobicContact CE-CE1 3.62Å; M50-Y222 WeakPolarHBondContact CE-OH 3.46Å; M50-K231 VanDerWaalsContact C-NZ 3.35Å; M50-K231 VanDerWaalsContact O-CE 3.26Å; M50-K231 WeakPolarHBondContact O-CE 3.47Å; M50-K231 PolarHBondContact O-NZ 3.47Å; M50-V244 VanDerWaalsContact C-CG1 3.44Å; M50-V244 HydrophobicContact CB-CG1 3.86Å; M50-V244 HydrophobicContact CE-CG1 3.96Å; M50-V244 WeakPolarHBondContact O-CG1 3.2Å; M50-D245 CarbonylContact C-O 3.54Å; M50-D245 VanDerWaalsContact CA-O 3.23Å; M50-D245 WeakPolarHBondContact CA-O 3.34Å; M50-T246 PolarHBondContact N-O 3.34Å; M50-T246 HydrophobicContact SD-CG2 4.15Å
51L98.2Very high96.4Very high12 Ų1230.3 Ų30.36%0.06317%0.166CC..EExtended strand (participates in β ladder)trans-62.1123.6-173.9-60.2175.8000111.7A49 S53 P142 L154 D245 E247A49-L51 HydrophobicContact CB-CD1 4.48Å; A49-L51 HydrophobicContact CB-CD2 3.7Å; A49-L51 HydrophobicContact CB-CG 3.79Å; A49-L51 PolarHBondContact O-N 3.5Å; L51-S53 PolarHBondContact O-N 3.45Å; L51-P142 HydrophobicContact CD1-CB 3.84Å; L51-L154 HydrophobicContact CD1-CD1 4.4Å; L51-L154 HydrophobicContact CD2-CD1 3.88Å; L51-D245 HydrophobicContact CB-CB 4.23Å; L51-D245 PolarHBondContact N-O 3.3Å; L51-D245 PolarHBondContact O-N 3Å; L51-E247 HydrophobicContact CD1-CB 4.27Å; L51-E247 HydrophobicContact CD1-CG 4.44Å
52P98.2Very high96.3Very high5 Ų531.4 Ų31.43%0.03217%0.17CC..EExtended strand (participates in β ladder)trans-74.2124.2178.9-7.423.6000110.7F54 Q145 I229 L232 M242P52-F54 HydrophobicContact CB-CD2 4.41Å; P52-F54 HydrophobicContact CB-CE2 4.09Å; P52-Q145 WeakPolarHBondContact O-CB 3.31Å; P52-I229 HydrophobicContact CG-CG2 4.42Å; P52-L232 HydrophobicContact CB-CD1 3.67Å; P52-L232 HydrophobicContact CG-CD1 3.68Å; P52-L232 HydrophobicContact CG-CD2 4.17Å; P52-L232 HydrophobicContact CG-CG 4.04Å; P52-M242 HydrophobicContact CB-SD 3.4Å; P52-M242 WeakPolarHBondContact CB-SD 3.31Å
53S97.9Very high96.2Very high0 Ų031.2 Ų31.20%017%0.167CC..  trans-83.9-15.4-178.9720000114.3L51 V55 Q145 L148 I243L51-S53 PolarHBondContact O-N 3.45Å; S53-V55 PolarHBondContact O-N 3.34Å; S53-V55 PolarHBondContact OG-N 2.84Å; S53-V55 VanDerWaalsContact OG-N 3.14Å; S53-Q145 PolarHBondContact O-NE2 3.02Å; S53-L148 WeakPolarHBondContact O-CD2 2.82Å; S53-I243 VanDerWaalsContact CB-O 3.29Å; S53-I243 WeakPolarHBondContact CB-O 3.45Å; S53-I243 PolarHBondContact N-O 2.82Å; S53-I243 VanDerWaalsContact N-O 3.1Å; S53-I243 PolarHBondContact OG-O 3.21Å
54F97.5Very high96.4Very high20 Ų2031.4 Ų31.49%0.08817%0.173CC..  trans61.99.3-169.2-67.9-100000115.5P52 P56 Q145 K146 L148 L232 Y237 M242P52-F54 HydrophobicContact CB-CD2 4.41Å; P52-F54 HydrophobicContact CB-CE2 4.09Å; F54-P56 WeakPolarHBondContact O-CD 3.5Å; F54-Q145 HydrophobicContact CD2-CB 4.04Å; F54-Q145 HydrophobicContact CE2-CB 4.31Å; F54-Q145 WeakPolarHBondContact CE2-O 3.2Å; F54-K146 WeakPolarHBondContact CE1-O 3.4Å; F54-K146 WeakPolarHBondContact CZ-O 3.49Å; F54-L148 HydrophobicContact CB-CD2 4.34Å; F54-L148 HydrophobicContact CB-CG 4.28Å; F54-L232 HydrophobicContact CZ-CD1 4.3Å; F54-Y237 HydrophobicContact CD1-CE2 4.45Å; F54-M242 HydrophobicContact CD1-CE 3.96Å; F54-M242 HydrophobicContact CE1-CE 4.21Å; F54-M242 HydrophobicContact CG-CE 4.2Å
55V97.9Very high96.5Very high0 Ų024.8 Ų24.80%015%0.153CC..  trans-78.6114.6167.9-176.20000108.7S53 L148 V195 M242 I243 V442S53-V55 PolarHBondContact O-N 3.34Å; S53-V55 PolarHBondContact OG-N 2.84Å; S53-V55 VanDerWaalsContact OG-N 3.14Å; V55-L148 HydrophobicContact CG2-CD2 3.68Å; V55-V195 HydrophobicContact CB-CG1 4.45Å; V55-V195 HydrophobicContact CG2-CG1 3.9Å; V55-M242 WeakPolarHBondContact O-CA 3.37Å; V55-I243 HydrophobicContact CB-CB 4.29Å; V55-I243 HydrophobicContact CB-CD1 4.02Å; V55-I243 HydrophobicContact CB-CG1 4.27Å; V55-I243 HydrophobicContact CG1-CD1 3.69Å; V55-I243 HydrophobicContact CG1-CG1 4.31Å; V55-I243 PolarHBondContact O-N 3.07Å; V55-V442 HydrophobicContact CG1-CG2 4.38Å; V55-V442 HydrophobicContact CG2-CG1 3.74Å; V55-V442 HydrophobicContact CG2-CG2 4.14Å
56P96.8Very high96.5Very high6 Ų625 Ų254%0.03915%0.15CC..  trans-84.8-22.1-168.131.9-35.2000114.9F54 Y237 Y239 K241 L449 L451F54-P56 WeakPolarHBondContact O-CD 3.5Å; P56-Y237 WeakPolarHBondContact CA-OH 3.41Å; P56-Y237 VanDerWaalsContact CB-OH 3.29Å; P56-Y237 WeakPolarHBondContact CB-OH 3.46Å; P56-Y239 HydrophobicContact CB-CD1 3.68Å; P56-Y239 HydrophobicContact CB-CD2 3.54Å; P56-Y239 HydrophobicContact CB-CE1 4.16Å; P56-Y239 HydrophobicContact CB-CE2 4.06Å; P56-Y239 HydrophobicContact CB-CG 3.34Å; P56-Y239 HydrophobicContact CG-CD1 4.25Å; P56-Y239 HydrophobicContact CG-CD2 4.22Å; P56-Y239 HydrophobicContact CG-CE1 4.25Å; P56-Y239 HydrophobicContact CG-CE2 4.24Å; P56-Y239 HydrophobicContact CG-CG 4.24Å; P56-K241 VanDerWaalsContact O-O 3.07Å; P56-L449 HydrophobicContact CG-CD1 3.43Å; P56-L449 VanDerWaalsContact CG-CD1 3.43Å; P56-L451 HydrophobicContact CG-CD1 3.91Å
57R96.2Very high96.5Very high62 Ų6225.3 Ų25.323%0.23415%0.152CC..  trans-153.5156.7-174.168.2-170.8-163.2124.75.6110.6D60 I445 Q448 L449R57-D60 IonicContact CZ-OD2 3.9Å; R57-D60 IonicContact NH1-OD2 3.36Å; R57-D60 PolarHBondContact NH1-OD2 3.01Å; R57-D60 IonicContact NH2-OD1 3.52Å; R57-D60 IonicContact NH2-OD2 3.58Å; R57-D60 PolarHBondContact NH2-OD2 2.75Å; R57-I445 HydrophobicContact CG-CG2 4.29Å; R57-Q448 VanDerWaalsContact NH2-CD 3.31Å; R57-L449 HydrophobicContact CG-CD1 4.45Å
58L96.4Very high96.6Very high36 Ų3624.9 Ų24.919%0.18815%0.149CC..  trans-76.2158.1165.2-65173.6000109.7Q198 V199 A202 C208 I243L58-Q198 HydrophobicContact CD2-CG 3.96Å; L58-V199 HydrophobicContact CD2-CG2 4.24Å; L58-A202 HydrophobicContact CB-CB 3.98Å; L58-A202 HydrophobicContact CD1-CB 4.03Å; L58-A202 HydrophobicContact CD2-CB 3.92Å; L58-A202 HydrophobicContact CG-CB 4.19Å; L58-C208 WeakPolarHBondContact CD1-O 3.46Å; L58-I243 HydrophobicContact CD2-CD1 3.81Å
59P95Very high96.6Very high13 Ų1324.9 Ų24.98%0.08415%0.149CC..  trans-62.9145.8178.622.9-31.8000111.6E63 V199 A202 H203 I445P59-E63 WeakPolarHBondContact CA-OE1 3.18Å; P59-E63 VanDerWaalsContact CB-CD 3.41Å; P59-E63 HydrophobicContact CB-CG 4.25Å; P59-E63 VanDerWaalsContact CB-OE1 3.31Å; P59-E63 WeakPolarHBondContact CB-OE1 3.23Å; P59-E63 WeakPolarHBondContact CB-OE2 3.5Å; P59-V199 HydrophobicContact CG-CG1 4.15Å; P59-V199 WeakPolarHBondContact CG-O 3.32Å; P59-A202 HydrophobicContact CG-CB 4.17Å; P59-H203 HydrophobicContact CB-CB 4.26Å; P59-H203 HydrophobicContact CG-CB 3.66Å; P59-I445 HydrophobicContact CB-CD1 4.3Å
60D93.7Very high96.6Very high96 Ų9624.9 Ų24.951%0.51315%0.149SC..  trans-113.44.4-179.467.19.2000113.5R57 S62 E63R57-D60 IonicContact CZ-OD2 3.9Å; R57-D60 IonicContact NH1-OD2 3.36Å; R57-D60 PolarHBondContact NH1-OD2 3.01Å; R57-D60 IonicContact NH2-OD1 3.52Å; R57-D60 IonicContact NH2-OD2 3.58Å; R57-D60 PolarHBondContact NH2-OD2 2.75Å; D60-S62 VanDerWaalsContact C-N 3.33Å; D60-S62 WeakPolarHBondContact OD1-CB 3.24Å; D60-S62 PolarHBondContact OD1-N 2.83Å; D60-S62 PolarHBondContact OD1-OG 2.99Å; D60-E63 PolarHBondContact N-OE1 3.41Å; D60-E63 PolarHBondContact N-OE2 3.01Å
61G93.2Very high96.5Very high37 Ų3725.7 Ų25.738%0.38115%0.153SC..SBendtrans86.9-1-179.400000113.9E63 P86G61-E63 VanDerWaalsContact C-N 3.34Å; G61-E63 VanDerWaalsContact CA-OE2 3.29Å; G61-E63 WeakPolarHBondContact CA-OE2 3.38Å; G61-E63 PolarHBondContact N-OE2 2.9Å; G61-P86 WeakPolarHBondContact O-CB 3.37Å
62S95.1Very high96.2Very high48 Ų4825.1 Ų25.134%0.33615%0.15SC..  trans-86.3-6.5172.971.70000113.5D60 Q448D60-S62 VanDerWaalsContact C-N 3.33Å; D60-S62 WeakPolarHBondContact OD1-CB 3.24Å; D60-S62 PolarHBondContact OD1-N 2.83Å; D60-S62 PolarHBondContact OD1-OG 2.99Å; S62-Q448 PolarHBondContact OG-NE2 2.95Å
63E95Very high95.4Very high2 Ų225.7 Ų25.71%0.00916%0.157CC..  trans-59.5139.4178-62.272.8-156.800110.5P59 D60 G61 I84 P86 L441 A444 I445P59-E63 WeakPolarHBondContact CA-OE1 3.18Å; P59-E63 VanDerWaalsContact CB-CD 3.41Å; P59-E63 HydrophobicContact CB-CG 4.25Å; P59-E63 VanDerWaalsContact CB-OE1 3.31Å; P59-E63 WeakPolarHBondContact CB-OE1 3.23Å; P59-E63 WeakPolarHBondContact CB-OE2 3.5Å; D60-E63 PolarHBondContact N-OE1 3.41Å; D60-E63 PolarHBondContact N-OE2 3.01Å; G61-E63 VanDerWaalsContact C-N 3.34Å; G61-E63 VanDerWaalsContact CA-OE2 3.29Å; G61-E63 WeakPolarHBondContact CA-OE2 3.38Å; G61-E63 PolarHBondContact N-OE2 2.9Å; E63-I84 HydrophobicContact CB-CG2 4.09Å; E63-I84 WeakPolarHBondContact O-CG2 3.33Å; E63-P86 WeakPolarHBondContact O-CD 3.23Å; E63-P86 WeakPolarHBondContact O-CG 3.46Å; E63-L441 HydrophobicContact CB-CD2 4.41Å; E63-L441 HydrophobicContact CG-CD2 4.44Å; E63-A444 HydrophobicContact CB-CB 4.12Å; E63-A444 HydrophobicContact CG-CB 4.32Å; E63-I445 HydrophobicContact CG-CG1 4.05Å
64S96Very high94.4Very high63 Ų6326.2 Ų26.244%0.44116%0.163SC..  trans-152.6155.7-178.562.30000112.1Y67 I84S64-Y67 WeakPolarHBondContact O-CE2 3.47Å; S64-Y67 PolarHBondContact O-OH 2.84Å; S64-I84 CarbonylContact C-O 3.55Å; S64-I84 VanDerWaalsContact CA-O 3.31Å; S64-I84 WeakPolarHBondContact CA-O 3.35Å
65G96.3Very high93.4Very high32 Ų3229 Ų2933%0.3318%0.181SC..EExtended strand (participates in β ladder)trans114.8-173.8173.400000113.6Y67 I84G65-Y67 VanDerWaalsContact C-CE2 3.49Å; G65-I84 PolarHBondContact N-O 2.76Å; G65-I84 PolarHBondContact O-N 3.07Å
66K96.7Very high92.9Very high82 Ų8232.9 Ų32.936%0.35720%0.202SC..EExtended strand (participates in β ladder)trans-113.4121-176.2-165.1-180-171.6171.70109.7M81 M82 M133K66-M81 HydrophobicContact CD-SD 4.28Å; K66-M81 WeakPolarHBondContact CE-SD 3.42Å; K66-M81 HydrophobicContact CG-CG 4.22Å; K66-M81 HydrophobicContact CG-SD 4.05Å; K66-M82 WeakPolarHBondContact CA-O 3.4Å; K66-M133 HydrophobicContact CD-CE 4.34Å; K66-M133 HydrophobicContact CG-CE 3.91Å
67Y97.7Very high92.7Very high8 Ų832.6 Ų32.63%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-127.3148.2-173.6-59.4-87.7000110.6S64 G65 M81 M82 I84 D134 A443 A444 K447S64-Y67 WeakPolarHBondContact O-CE2 3.47Å; S64-Y67 PolarHBondContact O-OH 2.84Å; G65-Y67 VanDerWaalsContact C-CE2 3.49Å; Y67-M81 WeakPolarHBondContact O-CA 3.41Å; Y67-M82 PolarHBondContact N-O 2.74Å; Y67-M82 PolarHBondContact O-N 2.88Å; Y67-I84 HydrophobicContact CD2-CD1 3.82Å; Y67-I84 HydrophobicContact CD2-CG1 4.42Å; Y67-I84 HydrophobicContact CE2-CD1 4.11Å; Y67-D134 HydrophobicContact CD1-CB 4.07Å; Y67-D134 HydrophobicContact CE1-CB 4.35Å; Y67-A443 HydrophobicContact CD1-CB 3.82Å; Y67-A443 HydrophobicContact CE1-CB 4.45Å; Y67-A443 HydrophobicContact CG-CB 4.47Å; Y67-A444 HydrophobicContact CD2-CB 4.06Å; Y67-A444 HydrophobicContact CE1-CB 4.06Å; Y67-A444 HydrophobicContact CE2-CB 3.45Å; Y67-A444 VanDerWaalsContact CE2-CB 3.45Å; Y67-A444 VanDerWaalsContact CZ-CA 3.41Å; Y67-A444 VanDerWaalsContact CZ-CB 3.46Å; Y67-K447 HydrophobicContact CE1-CD 4.11Å
68L98Very high92.7Very high0 Ų031.3 Ų31.30%020%0.195CC..EExtended strand (participates in β ladder)trans-94147.4167.5-163.670.9000108.2V79 L80 M81 M119 F122 L123 M133 D134 L135 G136 V185L68-V79 HydrophobicContact CD1-CG1 4.04Å; L68-L80 CarbonylContact C-O 3.52Å; L68-L80 WeakPolarHBondContact CA-O 3.34Å; L68-L80 WeakPolarHBondContact CD1-O 3.28Å; L68-M81 HydrophobicContact CD1-CB 4.34Å; L68-M119 HydrophobicContact CD2-CG 3.76Å; L68-M119 HydrophobicContact CD2-SD 3.42Å; L68-M119 WeakPolarHBondContact CD2-SD 3.49Å; L68-F122 HydrophobicContact CD1-CD1 4.21Å; L68-F122 HydrophobicContact CD1-CE1 4.13Å; L68-L123 HydrophobicContact CD1-CD2 4.16Å; L68-L123 HydrophobicContact CD2-CD1 4.49Å; L68-L123 HydrophobicContact CD2-CD2 4.49Å; L68-M133 HydrophobicContact CB-CE 4.22Å; L68-D134 PolarHBondContact N-O 3.28Å; L68-L135 HydrophobicContact CB-CB 4.42Å; L68-L135 HydrophobicContact CB-CD1 4.04Å; L68-L135 HydrophobicContact CD2-CD1 4.09Å; L68-L135 HydrophobicContact CG-CD1 3.98Å; L68-L135 CarbonylContact O-C 3.56Å; L68-L135 VanDerWaalsContact O-CA 3.32Å; L68-L135 WeakPolarHBondContact O-CA 3.49Å; L68-G136 PolarHBondContact O-N 3.47Å; L68-V185 HydrophobicContact CD2-CG1 4.1Å; L68-V185 HydrophobicContact CD2-CG2 4.2Å
69A97.9Very high92.7Very high0 Ų029.6 Ų29.60%019%0.187CC..EExtended strand (participates in β ladder)trans-133.4142.517100000110L80 G136 G436 A439 A440A69-L80 HydrophobicContact CB-CB 4.27Å; A69-L80 HydrophobicContact CB-CD2 3.93Å; A69-L80 PolarHBondContact N-O 2.9Å; A69-L80 PolarHBondContact O-N 3.4Å; A69-G136 CarbonylContact C-O 3.56Å; A69-G136 VanDerWaalsContact CA-O 3.23Å; A69-G136 WeakPolarHBondContact CA-O 3.44Å; A69-G436 WeakPolarHBondContact CB-O 3.44Å; A69-A439 HydrophobicContact CB-CB 3.81Å; A69-A440 HydrophobicContact CB-CB 4.14Å
70I97Very high92.8Very high0 Ų029 Ų290%018%0.183CC..EExtended strand (participates in β ladder)trans-121.7135.6169-70.9176000107.7L77 R78 V79 I115 M119 L135 G136 F137 T138I70-L77 HydrophobicContact CG2-CD1 3.5Å; I70-L77 VanDerWaalsContact CG2-CD1 3.5Å; I70-R78 WeakPolarHBondContact CA-O 3.47Å; I70-V79 HydrophobicContact CG1-CG1 4.47Å; I70-V79 HydrophobicContact CG1-CG2 4.41Å; I70-I115 HydrophobicContact CD1-CG2 3.8Å; I70-I115 HydrophobicContact CG2-CG2 4.17Å; I70-M119 HydrophobicContact CD1-CB 4.29Å; I70-M119 HydrophobicContact CD1-CE 3.58Å; I70-M119 HydrophobicContact CD1-SD 3.87Å; I70-L135 HydrophobicContact CB-CD1 4.12Å; I70-L135 HydrophobicContact CD1-CD1 4.07Å; I70-L135 HydrophobicContact CD1-CD2 3.93Å; I70-L135 HydrophobicContact CG1-CD1 3.75Å; I70-L135 HydrophobicContact CG1-CD2 4.5Å; I70-G136 PolarHBondContact N-O 3.01Å; I70-F137 HydrophobicContact CB-CD2 4.05Å; I70-F137 HydrophobicContact CG2-CD2 3.86Å; I70-F137 HydrophobicContact CG2-CE2 3.91Å; I70-T138 PolarHBondContact O-N 3.44Å
71D95.4Very high92.9Very high18 Ų1825 Ų2510%0.09616%0.161CC..EExtended strand (participates in β ladder)trans-123108.5173.5178.911.3000109.6R78 T138 S435D71-R78 HydrophobicContact CB-CB 4.35Å; D71-R78 PolarHBondContact N-O 3.11Å; D71-R78 PolarHBondContact O-N 3.05Å; D71-R78 IonicContact OD2-CZ 2.67Å; D71-R78 IonicContact OD2-NE 2.79Å; D71-R78 IonicContact OD2-NH2 3.63Å; D71-R78 PolarHBondContact OD2-NH2 3.26Å; D71-T138 WeakPolarHBondContact OD1-CG2 3.47Å; D71-S435 WeakPolarHBondContact OD2-CB 3.35Å; D71-S435 PolarHBondContact OD2-OG 3.27Å
72L92.6Very high93Very high0 Ų023.5 Ų23.50%014%0.144CC..EExtended strand (participates in β ladder)trans-94.796.1172.7-176.867.4000109.2L77 M99 I115 F137 T138 F139 S140 Y141 F160L72-L77 HydrophobicContact CB-CD1 4.47Å; L72-L77 HydrophobicContact CD1-CD1 4.23Å; L72-M99 HydrophobicContact CD1-CE 4.3Å; L72-M99 HydrophobicContact CD1-CG 4.43Å; L72-M99 HydrophobicContact CD1-SD 4.07Å; L72-I115 HydrophobicContact CD1-CD1 4.4Å; L72-I115 HydrophobicContact CD2-CD1 4.13Å; L72-F137 HydrophobicContact CB-CE2 4.06Å; L72-T138 PolarHBondContact N-O 2.83Å; L72-F139 HydrophobicContact CD2-CD2 3.86Å; L72-F139 HydrophobicContact CD2-CE2 3.75Å; L72-S140 PolarHBondContact O-OG 3.16Å; L72-S140 VanDerWaalsContact O-OG 3.08Å; L72-Y141 HydrophobicContact CD2-CE2 4.17Å; L72-Y141 HydrophobicContact CG-CE2 4.35Å; L72-F160 HydrophobicContact CD1-CZ 4.39Å
73G81.6Confident93.1Very high17 Ų1725.4 Ų25.418%0.17515%0.147CC..  trans-86.2-173.9171.600000112.8T75 N76 Y141G73-T75 VanDerWaalsContact C-N 3.26Å; G73-T75 PolarHBondContact O-N 3.27Å; G73-N76 PolarHBondContact N-O 3.4Å; G73-N76 VanDerWaalsContact N-O 3.16Å; G73-Y141 PolarHBondContact O-OH 2.91Å
74G76Confident93.1Very high11 Ų1125.4 Ų25.411%0.11315%0.148CC..SBendtrans-73.1-9.2179.500000115.5
75T77.7Confident93.1Very high78 Ų7824.9 Ų24.948%0.47914%0.142SC..SBendtrans-145.2-31.6-174.6-50.90000113.5G73 M99G73-T75 VanDerWaalsContact C-N 3.26Å; G73-T75 PolarHBondContact O-N 3.27Å; T75-M99 PolarHBondContact O-N 3.27Å
76N86.4Confident92.9Very high82 Ų8226.4 Ų26.444%0.43915%0.146SC..EExtended strand (participates in β ladder)trans-122.1144.4-178.2-62.5-49.8000109.8G73G73-N76 PolarHBondContact N-O 3.4Å; G73-N76 VanDerWaalsContact N-O 3.16Å
77L93.4Very high92.5Very high0 Ų026.7 Ų26.70%017%0.172CC..EExtended strand (participates in β ladder)trans-99.4133162.6171.771.5000107.8I70 L72 F97 M99 F114 I115 C118I70-L77 HydrophobicContact CG2-CD1 3.5Å; I70-L77 VanDerWaalsContact CG2-CD1 3.5Å; L72-L77 HydrophobicContact CB-CD1 4.47Å; L72-L77 HydrophobicContact CD1-CD1 4.23Å; L77-F97 HydrophobicContact CB-CB 4.34Å; L77-F97 PolarHBondContact N-O 3.46Å; L77-F97 PolarHBondContact O-N 3.38Å; L77-M99 HydrophobicContact CB-CG 4.23Å; L77-M99 HydrophobicContact CB-SD 3.5Å; L77-M99 VanDerWaalsContact CB-SD 3.5Å; L77-M99 HydrophobicContact CD2-SD 4.41Å; L77-F114 HydrophobicContact CD2-CD1 4.24Å; L77-F114 HydrophobicContact CD2-CE1 4.06Å; L77-I115 HydrophobicContact CD1-CG1 4.03Å; L77-I115 HydrophobicContact CD1-CG2 4.27Å; L77-I115 HydrophobicContact CD2-CB 4.27Å; L77-I115 HydrophobicContact CD2-CG1 3.95Å; L77-I115 HydrophobicContact CD2-CG2 4.42Å; L77-C118 HydrophobicContact CD2-CB 3.65Å
78R94.8Very high92.1Very high35 Ų3532.1 Ų32.113%0.13220%0.198CC..EExtended strand (participates in β ladder)trans-121.1136.1173.3-17917451.4-174.1-1.9110.5I70 D71 R95 N96 D433 S435I70-R78 WeakPolarHBondContact CA-O 3.47Å; D71-R78 HydrophobicContact CB-CB 4.35Å; D71-R78 PolarHBondContact N-O 3.11Å; D71-R78 PolarHBondContact O-N 3.05Å; D71-R78 IonicContact OD2-CZ 2.67Å; D71-R78 IonicContact OD2-NE 2.79Å; D71-R78 IonicContact OD2-NH2 3.63Å; D71-R78 PolarHBondContact OD2-NH2 3.26Å; R78-R95 WeakPolarHBondContact CA-O 3.42Å; R78-N96 WeakPolarHBondContact CB-OD1 3.36Å; R78-N96 WeakPolarHBondContact CD-OD1 3.47Å; R78-N96 WeakPolarHBondContact CG-OD1 3.49Å; R78-D433 IonicContact CZ-OD1 2.88Å; R78-D433 IonicContact CZ-OD2 2.69Å; R78-D433 IonicContact NE-OD1 3.08Å; R78-D433 IonicContact NH1-OD1 3.63Å; R78-D433 PolarHBondContact NH1-OD1 3.06Å; R78-D433 IonicContact NH1-OD2 3.01Å; R78-D433 PolarHBondContact NH1-OD2 2.7Å; R78-D433 IonicContact NH2-OD1 2.68Å; R78-D433 PolarHBondContact NH2-OD1 2.75Å; R78-S435 PolarHBondContact NH2-OG 3.33Å
79V97.2Very high91.6Very high0 Ų041 Ų410%024%0.239CC..EExtended strand (participates in β ladder)trans-111130.2169.3-171.40000107.3L68 I70 S94 R95 F97 C118 F122L68-V79 HydrophobicContact CD1-CG1 4.04Å; I70-V79 HydrophobicContact CG1-CG1 4.47Å; I70-V79 HydrophobicContact CG1-CG2 4.41Å; V79-S94 CarbonylContact O-C 3.54Å; V79-S94 VanDerWaalsContact O-CA 3.24Å; V79-S94 WeakPolarHBondContact O-CA 3.31Å; V79-R95 PolarHBondContact N-O 2.71Å; V79-R95 PolarHBondContact O-N 3.1Å; V79-F97 HydrophobicContact CB-CE2 4.2Å; V79-F97 HydrophobicContact CG2-CD2 4.15Å; V79-F97 HydrophobicContact CG2-CE2 3.75Å; V79-C118 HydrophobicContact CG2-CB 4.33Å; V79-F122 HydrophobicContact CB-CB 4.24Å; V79-F122 HydrophobicContact CB-CD1 4.28Å; V79-F122 HydrophobicContact CB-CG 4.14Å; V79-F122 HydrophobicContact CG1-CB 3.98Å; V79-F122 HydrophobicContact CG1-CD1 3.49Å; V79-F122 VanDerWaalsContact CG1-CD1 3.49Å; V79-F122 HydrophobicContact CG1-CE1 4.12Å; V79-F122 HydrophobicContact CG1-CG 3.79Å
80L96.3Very high91.1Very high1 Ų142.2 Ų42.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-132.7139.7-176.3175.1149.7000109.5L68 A69 M82 A92 E93 K437 A440L68-L80 CarbonylContact C-O 3.52Å; L68-L80 WeakPolarHBondContact CA-O 3.34Å; L68-L80 WeakPolarHBondContact CD1-O 3.28Å; A69-L80 HydrophobicContact CB-CB 4.27Å; A69-L80 HydrophobicContact CB-CD2 3.93Å; A69-L80 PolarHBondContact N-O 2.9Å; A69-L80 PolarHBondContact O-N 3.4Å; L80-M82 HydrophobicContact CD2-CB 3.79Å; L80-A92 HydrophobicContact CD1-CB 4.15Å; L80-A92 HydrophobicContact CG-CB 4.39Å; L80-E93 CarbonylContact C-O 3.6Å; L80-E93 WeakPolarHBondContact CA-O 3.29Å; L80-K437 HydrophobicContact CD1-CG 4.45Å; L80-A440 HydrophobicContact CD2-CB 4.48Å
81M96.7Very high90.8Very high12 Ų1250.7 Ų50.76%0.05928%0.28CS..EExtended strand (participates in β ladder)trans-114.7129.1166.4174-85.5-64.700108.3K66 Y67 L68 A92 E93 F122 L128 M133K66-M81 HydrophobicContact CD-SD 4.28Å; K66-M81 WeakPolarHBondContact CE-SD 3.42Å; K66-M81 HydrophobicContact CG-CG 4.22Å; K66-M81 HydrophobicContact CG-SD 4.05Å; Y67-M81 WeakPolarHBondContact O-CA 3.41Å; L68-M81 HydrophobicContact CD1-CB 4.34Å; M81-A92 WeakPolarHBondContact O-CA 3.22Å; M81-E93 HydrophobicContact CE-CB 4.36Å; M81-E93 HydrophobicContact CE-CG 4.43Å; M81-E93 VanDerWaalsContact CE-OE1 3.25Å; M81-E93 WeakPolarHBondContact CE-OE1 3.34Å; M81-E93 PolarHBondContact N-O 2.82Å; M81-E93 PolarHBondContact O-N 3.33Å; M81-F122 HydrophobicContact CB-CE1 3.77Å; M81-F122 HydrophobicContact CB-CZ 4.09Å; M81-L128 HydrophobicContact CG-CD1 4.39Å; M81-M133 HydrophobicContact CG-CE 4.07Å
82M96.2Very high90.7Very high4 Ų452 Ų522%0.0229%0.293CS..EExtended strand (participates in β ladder)trans-120.9129.6-178.9-161.5169.7173.900109.9K66 Y67 L80 I84 S90 R91 A92 K437 A440 L441K66-M82 WeakPolarHBondContact CA-O 3.4Å; Y67-M82 PolarHBondContact N-O 2.74Å; Y67-M82 PolarHBondContact O-N 2.88Å; L80-M82 HydrophobicContact CD2-CB 3.79Å; M82-I84 HydrophobicContact CE-CG1 4.18Å; M82-I84 HydrophobicContact CG-CG1 3.93Å; M82-I84 HydrophobicContact SD-CD1 4.35Å; M82-I84 HydrophobicContact SD-CG1 4.22Å; M82-S90 WeakPolarHBondContact CE-OG 3.31Å; M82-R91 CarbonylContact C-O 3.31Å; M82-R91 WeakPolarHBondContact CA-O 3.35Å; M82-A92 HydrophobicContact CG-CB 4.43Å; M82-K437 HydrophobicContact CE-CB 4.21Å; M82-K437 HydrophobicContact CE-CG 4.37Å; M82-K437 HydrophobicContact SD-CB 4Å; M82-K437 HydrophobicContact SD-CG 4.21Å; M82-A440 HydrophobicContact CB-CB 3.64Å; M82-A440 HydrophobicContact CG-CB 4.29Å; M82-A440 HydrophobicContact SD-CB 3.71Å; M82-L441 HydrophobicContact CE-CD1 4.34Å; M82-L441 HydrophobicContact CE-CG 4.3Å
83E96.5Very high90.8Very high88 Ų8856.3 Ų56.341%0.41131%0.313SS..EExtended strand (participates in β ladder)trans-105.2118.8167.2-172.1169.1-160.400108.9R91E83-R91 PolarHBondContact N-O 2.92Å; E83-R91 PolarHBondContact O-N 3.38Å; E83-R91 VanDerWaalsContact O-N 3.08Å
84I95.7Very high91.5Very high3 Ų358.4 Ų58.42%0.01533%0.325CS..EExtended strand (participates in β ladder)trans-109.4121.4-175.7-49.3172.5000107.1E63 S64 G65 Y67 M82 L441 A444E63-I84 HydrophobicContact CB-CG2 4.09Å; E63-I84 WeakPolarHBondContact O-CG2 3.33Å; S64-I84 CarbonylContact C-O 3.55Å; S64-I84 VanDerWaalsContact CA-O 3.31Å; S64-I84 WeakPolarHBondContact CA-O 3.35Å; G65-I84 PolarHBondContact N-O 2.76Å; G65-I84 PolarHBondContact O-N 3.07Å; Y67-I84 HydrophobicContact CD2-CD1 3.82Å; Y67-I84 HydrophobicContact CD2-CG1 4.42Å; Y67-I84 HydrophobicContact CE2-CD1 4.11Å; M82-I84 HydrophobicContact CE-CG1 4.18Å; M82-I84 HydrophobicContact CG-CG1 3.93Å; M82-I84 HydrophobicContact SD-CD1 4.35Å; M82-I84 HydrophobicContact SD-CG1 4.22Å; I84-L441 HydrophobicContact CD1-CD2 3.82Å; I84-L441 HydrophobicContact CD1-CG 4.21Å; I84-A444 HydrophobicContact CD1-CB 4.06Å
85T94.9Very high92.4Very high51 Ų5162.8 Ų62.831%0.31334%0.338SS..  trans-125.7123.8175-62.10000108.3G87 Q88T85-G87 PolarHBondContact O-N 2.85Å; T85-Q88 HydrophobicContact CG2-CB 4.3Å; T85-Q88 HydrophobicContact CG2-CG 4.01Å; T85-Q88 PolarHBondContact O-N 3.18Å
86P93Very high93.1Very high65 Ų6564.1 Ų64.142%0.42234%0.342SS..THydrogen-bonded Turntrans-52.4132.1179.8-29.635.5000112.1G61 E63 Q88G61-P86 WeakPolarHBondContact O-CB 3.37Å; E63-P86 WeakPolarHBondContact O-CD 3.23Å; E63-P86 WeakPolarHBondContact O-CG 3.46Å; P86-Q88 PolarHBondContact O-N 2.77Å
87G88Confident93.5Very high88 Ų8861.3 Ų61.391%0.90733%0.326SS*.THydrogen-bonded Turntrans71.27.7179.500000115.6T85T85-G87 PolarHBondContact O-N 2.85Å
88Q89Confident93.2Very high121 Ų12171.3 Ų71.357%0.56536%0.364SS*.SBendtrans-120.9153.5173.8-59.4-173.513.600110.9T85 P86 S90T85-Q88 HydrophobicContact CG2-CB 4.3Å; T85-Q88 HydrophobicContact CG2-CG 4.01Å; T85-Q88 PolarHBondContact O-N 3.18Å; P86-Q88 PolarHBondContact O-N 2.77Å; Q88-S90 PolarHBondContact O-N 3.15Å
89E87Confident92.8Very high186 Ų18670 Ų7087%0.86936%0.36SS*.PPolyproline II helixtrans-61.4129.8171-168.4-178.517900109.7
90S87.4Confident92.3Very high26 Ų2672.1 Ų72.118%0.18237%0.374CS..PPolyproline II helixtrans-69.2138.9-179.5-49.30000111.1M82 Q88 H203M82-S90 WeakPolarHBondContact CE-OG 3.31Å; Q88-S90 PolarHBondContact O-N 3.15Å; S90-H203 PolarHBondContact OG-CE1 2.96Å
91R91.5Very high91.6Very high179 Ų17978.4 Ų78.468%0.67540%0.403SS*.EExtended strand (participates in β ladder)trans-96.3126.5175.5-64.7178.6-178.4171.80.7109.1M82 E83M82-R91 CarbonylContact C-O 3.31Å; M82-R91 WeakPolarHBondContact CA-O 3.35Å; E83-R91 PolarHBondContact N-O 2.92Å; E83-R91 PolarHBondContact O-N 3.38Å; E83-R91 VanDerWaalsContact O-N 3.08Å
92A93.4Very high91.1Very high45 Ų4581.7 Ų81.737%0.37243%0.427SS..EExtended strand (participates in β ladder)trans-128.5131.6177.900000110.9L80 M81 M82L80-A92 HydrophobicContact CD1-CB 4.15Å; L80-A92 HydrophobicContact CG-CB 4.39Å; M81-A92 WeakPolarHBondContact O-CA 3.22Å; M82-A92 HydrophobicContact CG-CB 4.43Å
93E94.9Very high90.7Very high91 Ų9181.7 Ų81.743%0.42543%0.427SS..EExtended strand (participates in β ladder)trans-116133.5169.2-66-178.1-99.900108.2L80 M81 F122 K126L80-E93 CarbonylContact C-O 3.6Å; L80-E93 WeakPolarHBondContact CA-O 3.29Å; M81-E93 HydrophobicContact CE-CB 4.36Å; M81-E93 HydrophobicContact CE-CG 4.43Å; M81-E93 VanDerWaalsContact CE-OE1 3.25Å; M81-E93 WeakPolarHBondContact CE-OE1 3.34Å; M81-E93 PolarHBondContact N-O 2.82Å; M81-E93 PolarHBondContact O-N 3.33Å; E93-F122 WeakPolarHBondContact O-CZ 3.44Å; E93-K126 WeakPolarHBondContact OE2-CE 3.41Å; E93-K126 IonicContact OE2-NZ 3.89Å; E93-K126 PolarHBondContact OE2-NZ 3.48Å
94S94.8Very high90.2Very high61 Ų6178.2 Ų78.243%0.42741%0.411SS..EExtended strand (participates in β ladder)trans-138.3159.1-178.669.30000112.8V79V79-S94 CarbonylContact O-C 3.54Å; V79-S94 VanDerWaalsContact O-CA 3.24Å; V79-S94 WeakPolarHBondContact O-CA 3.31Å
95R95.2Very high89.8Confident102 Ų10282 Ų8239%0.38544%0.435SS..EExtended strand (participates in β ladder)trans-137.3129174.1-173.3169.2173.4175.8-2.9109.7R78 V79 F97 F122 E125R78-R95 WeakPolarHBondContact CA-O 3.42Å; V79-R95 PolarHBondContact N-O 2.71Å; V79-R95 PolarHBondContact O-N 3.1Å; R95-F97 HydrophobicContact CB-CE2 3.9Å; R95-F97 HydrophobicContact CB-CZ 4.26Å; R95-F97 HydrophobicContact CG-CD2 4.39Å; R95-F97 HydrophobicContact CG-CE1 4.38Å; R95-F97 HydrophobicContact CG-CE2 3.73Å; R95-F97 HydrophobicContact CG-CZ 3.74Å; R95-F122 HydrophobicContact CB-CD2 3.7Å; R95-F122 HydrophobicContact CB-CE2 4.05Å; R95-E125 IonicContact CZ-OE2 2.69Å; R95-E125 IonicContact NH1-OE2 3.84Å; R95-E125 PolarHBondContact NH1-OE2 3.43Å
96N93.4Very high89.6Confident106 Ų10680.5 Ų80.557%0.56743%0.429SS*.EExtended strand (participates in β ladder)trans-91.9136.5174.6-68.7-45.8000110.2R78R78-N96 WeakPolarHBondContact CB-OD1 3.36Å; R78-N96 WeakPolarHBondContact CD-OD1 3.47Å; R78-N96 WeakPolarHBondContact CG-OD1 3.49Å
97F93.5Very high89.7Confident23 Ų2380 Ų8010%0.10143%0.425CS..EExtended strand (participates in β ladder)trans-121.7130.5175-60.2-94.1000107.9L77 V79 R95 M99 C118L77-F97 HydrophobicContact CB-CB 4.34Å; L77-F97 PolarHBondContact N-O 3.46Å; L77-F97 PolarHBondContact O-N 3.38Å; V79-F97 HydrophobicContact CB-CE2 4.2Å; V79-F97 HydrophobicContact CG2-CD2 4.15Å; V79-F97 HydrophobicContact CG2-CE2 3.75Å; R95-F97 HydrophobicContact CB-CE2 3.9Å; R95-F97 HydrophobicContact CB-CZ 4.26Å; R95-F97 HydrophobicContact CG-CD2 4.39Å; R95-F97 HydrophobicContact CG-CE1 4.38Å; R95-F97 HydrophobicContact CG-CE2 3.73Å; R95-F97 HydrophobicContact CG-CZ 3.74Å; F97-M99 PolarHBondContact O-N 3.31Å; F97-C118 HydrophobicContact CD1-CB 3.93Å; F97-C118 VanDerWaalsContact CD1-SG 3.57Å; F97-C118 HydrophobicContact CD2-CB 3.84Å; F97-C118 HydrophobicContact CE1-CB 3.97Å; F97-C118 HydrophobicContact CE2-CB 3.88Å; F97-C118 HydrophobicContact CG-CB 3.86Å; F97-C118 HydrophobicContact CZ-CB 3.93Å; F97-C118 WeakPolarHBondContact CZ-O 3.34Å
98R88.9Confident90.1Very high210 Ų21076.1 Ų76.179%0.79239%0.385SS*.EExtended strand (participates in β ladder)trans-73.7127.1173.6-174.4174.4-178.2171.11.2108.7P100R98-P100 WeakPolarHBondContact O-CD 3.47Å
99M85.3Confident90.3Very high8 Ų875.8 Ų75.84%0.03938%0.383CS..PPolyproline II helixtrans-69.2126.1174.6-71-57.2-60.200110L72 T75 L77 F97 A103 M104 L111 F114L72-M99 HydrophobicContact CD1-CE 4.3Å; L72-M99 HydrophobicContact CD1-CG 4.43Å; L72-M99 HydrophobicContact CD1-SD 4.07Å; T75-M99 PolarHBondContact O-N 3.27Å; L77-M99 HydrophobicContact CB-CG 4.23Å; L77-M99 HydrophobicContact CB-SD 3.5Å; L77-M99 VanDerWaalsContact CB-SD 3.5Å; L77-M99 HydrophobicContact CD2-SD 4.41Å; F97-M99 PolarHBondContact O-N 3.31Å; M99-A103 HydrophobicContact CE-CB 3.99Å; M99-M104 HydrophobicContact CB-CG 4.09Å; M99-M104 HydrophobicContact CB-SD 3.95Å; M99-L111 HydrophobicContact CE-CD1 3.3Å; M99-F114 HydrophobicContact CE-CD1 3.87Å; M99-F114 HydrophobicContact CE-CE1 4.13Å; M99-F114 HydrophobicContact SD-CD1 3.79Å; M99-F114 HydrophobicContact SD-CE1 3.52Å; M99-F114 VanDerWaalsContact SD-CE1 3.52Å
100P86.6Confident90.7Very high45 Ų4571.8 Ų71.829%0.29237%0.365SS..PPolyproline II helixtrans-72.3141.1171.128.3-30000109.6R98 S102 A103 M104 F114R98-P100 WeakPolarHBondContact O-CD 3.47Å; P100-S102 PolarHBondContact O-N 2.93Å; P100-A103 HydrophobicContact CG-CB 3.72Å; P100-A103 WeakPolarHBondContact O-CB 3.35Å; P100-A103 PolarHBondContact O-N 2.82Å; P100-M104 PolarHBondContact O-N 2.89Å; P100-F114 HydrophobicContact CG-CD2 4.15Å; P100-F114 HydrophobicContact CG-CE2 4.01Å; P100-F114 HydrophobicContact CG-CZ 4.28Å
101Q82.8Confident91.1Very high132 Ų13270.6 Ų70.662%0.61736%0.356SS*.Hα-helixtrans-56.9-36.7179.4-76.5-67.71.300112.3A103 M104 T105Q101-A103 PolarHBondContact O-N 3Å; Q101-M104 PolarHBondContact O-N 3.37Å; Q101-T105 PolarHBondContact O-N 3.11Å; Q101-T105 VanDerWaalsContact O-N 3.1Å; Q101-T105 PolarHBondContact O-OG1 2.9Å
102S85.8Confident91.4Very high81 Ų8162.1 Ų62.157%0.56632%0.324SS*.Hα-helixtrans-59.3-32.6175.554.20000113.4P100 G106P100-S102 PolarHBondContact O-N 2.93Å; S102-G106 WeakPolarHBondContact O-CA 3.47Å; S102-G106 PolarHBondContact O-N 3.25Å
103A86.8Confident91.5Very high4 Ų461.8 Ų61.83%0.03332%0.316CS..Hα-helixtrans-77.4-29.1174.800000112.5M99 P100 Q101 L111M99-A103 HydrophobicContact CE-CB 3.99Å; P100-A103 HydrophobicContact CG-CB 3.72Å; P100-A103 WeakPolarHBondContact O-CB 3.35Å; P100-A103 PolarHBondContact O-N 2.82Å; Q101-A103 PolarHBondContact O-N 3Å; A103-L111 HydrophobicContact CB-CD1 4.4Å
104M86.4Confident91.5Very high15 Ų1560 Ų607%0.07431%0.307CS..Hα-helixtrans-74.5-32.9-179.9-64.717555.600112.6M99 P100 Q101 F160 N161 A162M99-M104 HydrophobicContact CB-CG 4.09Å; M99-M104 HydrophobicContact CB-SD 3.95Å; P100-M104 PolarHBondContact O-N 2.89Å; Q101-M104 PolarHBondContact O-N 3.37Å; M104-F160 HydrophobicContact CB-CD1 4.39Å; M104-F160 HydrophobicContact CB-CE1 4.28Å; M104-F160 HydrophobicContact CB-CZ 4.43Å; M104-F160 HydrophobicContact CE-CD2 3.92Å; M104-F160 HydrophobicContact CE-CE2 3.54Å; M104-F160 HydrophobicContact CE-CZ 4.12Å; M104-F160 HydrophobicContact CG-CE1 3.93Å; M104-F160 HydrophobicContact CG-CE2 4.13Å; M104-F160 HydrophobicContact CG-CZ 3.73Å; M104-F160 HydrophobicContact SD-CE2 4.36Å; M104-F160 HydrophobicContact SD-CZ 4.37Å; M104-N161 PolarHBondContact O-N 2.84Å; M104-A162 PolarHBondContact O-N 2.91Å
105T87.2Confident91.6Very high84 Ų8457.1 Ų57.152%0.51529%0.287SS..Hα-helixtrans-116.21.2-176660000114.1Q101Q101-T105 PolarHBondContact O-N 3.11Å; Q101-T105 VanDerWaalsContact O-N 3.1Å; Q101-T105 PolarHBondContact O-OG1 2.9Å
106G91.2Very high91.8Very high18 Ų1852.2 Ų52.219%0.18627%0.268CS..SBendtrans-85-135.7-178.800000113S102 A162 S163S102-G106 WeakPolarHBondContact O-CA 3.47Å; S102-G106 PolarHBondContact O-N 3.25Å; G106-A162 CarbonylContact O-C 3.24Å; G106-A162 WeakPolarHBondContact O-CA 3.4Å; G106-S163 PolarHBondContact O-N 2.89Å; G106-S163 PolarHBondContact O-OG 2.92Å
107T95.2Very high91.9Very high56 Ų5649.2 Ų49.234%0.34425%0.254SS..BIsolated β-bridgetrans-93.8155.1174.264.50000111.5E109 E110 L111 S163T107-E109 PolarHBondContact O-N 3.4Å; T107-E110 PolarHBondContact N-OE2 2.87Å; T107-E110 PolarHBondContact O-N 3.3Å; T107-E110 VanDerWaalsContact OG1-CG 3.24Å; T107-E110 WeakPolarHBondContact OG1-CG 3.31Å; T107-E110 PolarHBondContact OG1-N 2.88Å; T107-E110 PolarHBondContact OG1-OE2 2.72Å; T107-L111 PolarHBondContact O-N 3.45Å; T107-L111 VanDerWaalsContact O-N 3.11Å; T107-S163 WeakPolarHBondContact CA-OG 3.45Å
108G95.1Very high92.1Very high5 Ų548.3 Ų48.35%0.05225%0.25CS..Hα-helixtrans-57-38.4170.300000111.9E110 L111 F112 S163G108-E110 PolarHBondContact O-N 3.19Å; G108-L111 PolarHBondContact O-N 3.14Å; G108-F112 WeakPolarHBondContact O-CD2 3.23Å; G108-F112 PolarHBondContact O-N 3.29Å; G108-S163 WeakPolarHBondContact CA-O 3.25Å; G108-S163 PolarHBondContact N-O 3.1Å
109E94.9Very high92.5Very high114 Ų11438.3 Ų38.353%0.53321%0.212SC..Hα-helixtrans-59.7-47.2176.3-175.1167.6-172.100111.6T107 L111 F112 D113 K180T107-E109 PolarHBondContact O-N 3.4Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 3.25Å; E109-F112 PolarHBondContact O-N 2.86Å; E109-D113 WeakPolarHBondContact O-CB 3.41Å; E109-D113 PolarHBondContact O-N 2.92Å; E109-K180 IonicContact OE1-NZ 3.69Å; E109-K180 PolarHBondContact OE1-NZ 2.93Å
110E94.6Very high93.1Very high103 Ų10338.7 Ų38.748%0.48122%0.217SC..Hα-helixtrans-60.2-42.2177-72.1163.2140.500112.4T107 G108 F114T107-E110 PolarHBondContact N-OE2 2.87Å; T107-E110 PolarHBondContact O-N 3.3Å; T107-E110 VanDerWaalsContact OG1-CG 3.24Å; T107-E110 WeakPolarHBondContact OG1-CG 3.31Å; T107-E110 PolarHBondContact OG1-N 2.88Å; T107-E110 PolarHBondContact OG1-OE2 2.72Å; G108-E110 PolarHBondContact O-N 3.19Å; E110-F114 VanDerWaalsContact O-CB 3.32Å; E110-F114 WeakPolarHBondContact O-CB 3.27Å; E110-F114 PolarHBondContact O-N 3.11Å
111L95.6Very high93.7Very high0 Ų039.9 Ų39.90%022%0.221CC..Hα-helixtrans-61.8-53.4177.417656.5000112M99 A103 T107 G108 E109 F114 I115 W156 F160 A162M99-L111 HydrophobicContact CE-CD1 3.3Å; A103-L111 HydrophobicContact CB-CD1 4.4Å; T107-L111 PolarHBondContact O-N 3.45Å; T107-L111 VanDerWaalsContact O-N 3.11Å; G108-L111 PolarHBondContact O-N 3.14Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 3.25Å; L111-F114 WeakPolarHBondContact O-CB 3.47Å; L111-F114 PolarHBondContact O-N 2.97Å; L111-I115 HydrophobicContact CD1-CD1 4.18Å; L111-I115 HydrophobicContact CG-CD1 4.25Å; L111-I115 WeakPolarHBondContact O-CG1 3.31Å; L111-I115 PolarHBondContact O-N 3.41Å; L111-I115 VanDerWaalsContact O-N 3.07Å; L111-W156 HydrophobicContact CD2-CH2 3.86Å; L111-W156 HydrophobicContact CD2-CZ2 4.19Å; L111-F160 HydrophobicContact CD1-CE1 4.27Å; L111-F160 HydrophobicContact CD2-CD1 4.37Å; L111-F160 HydrophobicContact CD2-CE1 4.31Å; L111-A162 HydrophobicContact CB-CB 4.46Å; L111-A162 HydrophobicContact CD2-CB 3.97Å
112F97.2Very high94.4Very high2 Ų233.7 Ų33.71%0.00919%0.192CC..Hα-helixtrans-76-29.6-174.5-73.8-82000112.6G108 E109 F114 I115 A116 F137 F139 V165 V170 I173 L174 A177G108-F112 WeakPolarHBondContact O-CD2 3.23Å; G108-F112 PolarHBondContact O-N 3.29Å; E109-F112 PolarHBondContact O-N 2.86Å; F112-F114 VanDerWaalsContact C-N 3.35Å; F112-I115 HydrophobicContact CD1-CD1 4Å; F112-I115 HydrophobicContact CE1-CD1 4.26Å; F112-I115 PolarHBondContact O-N 3.45Å; F112-A116 WeakPolarHBondContact O-CB 3.4Å; F112-A116 PolarHBondContact O-N 3.25Å; F112-F137 AromaticContact CE1-CE1 3.99Å; F112-F137 HydrophobicContact CE1-CE1 3.99Å; F112-F137 HydrophobicContact CE1-CZ 4.03Å; F112-F139 HydrophobicContact CZ-CE2 4.33Å; F112-V165 HydrophobicContact CD2-CG2 4.47Å; F112-V165 HydrophobicContact CE2-CG1 3.84Å; F112-V165 HydrophobicContact CE2-CG2 3.87Å; F112-V165 HydrophobicContact CZ-CG1 4.26Å; F112-V170 HydrophobicContact CE1-CG1 4.05Å; F112-V170 HydrophobicContact CZ-CG1 3.83Å; F112-I173 HydrophobicContact CB-CG2 4Å; F112-I173 HydrophobicContact CD1-CG2 4.23Å; F112-I173 HydrophobicContact CD2-CB 4.34Å; F112-I173 HydrophobicContact CD2-CG2 3.28Å; F112-I173 HydrophobicContact CE2-CB 4.43Å; F112-I173 HydrophobicContact CE2-CG2 3.76Å; F112-I173 HydrophobicContact CG-CG2 3.57Å; F112-I173 HydrophobicContact CZ-CG2 4.41Å; F112-L174 HydrophobicContact CD1-CB 3.78Å; F112-L174 HydrophobicContact CD1-CD1 3.98Å; F112-L174 HydrophobicContact CD1-CG 4.44Å; F112-L174 HydrophobicContact CE1-CB 3.99Å; F112-A177 HydrophobicContact CB-CB 4Å; F112-A177 WeakPolarHBondContact O-CB 3.48Å
113D96.2Very high94.9Very high37 Ų3729.9 Ų29.920%0.19817%0.165CC..Hα-helixtrans-66.1-37.2169.8-82.8-4.9000111.7E109 A116 T117 K180E109-D113 WeakPolarHBondContact O-CB 3.41Å; E109-D113 PolarHBondContact O-N 2.92Å; D113-A116 PolarHBondContact O-N 3.15Å; D113-T117 WeakPolarHBondContact O-CB 3.33Å; D113-T117 PolarHBondContact O-N 2.79Å; D113-T117 PolarHBondContact O-OG1 3.47Å; D113-K180 IonicContact OD1-NZ 3.65Å; D113-K180 IonicContact OD2-NZ 3.68Å; D113-K180 PolarHBondContact OD2-NZ 3.13Å
114F95.6Very high95.4Very high54 Ų5435.8 Ų35.824%0.23719%0.192CC..Hα-helixtrans-63.2-45.1172.8178.3-96.5000111.2L77 M99 P100 E110 L111 F112 T117 C118L77-F114 HydrophobicContact CD2-CD1 4.24Å; L77-F114 HydrophobicContact CD2-CE1 4.06Å; M99-F114 HydrophobicContact CE-CD1 3.87Å; M99-F114 HydrophobicContact CE-CE1 4.13Å; M99-F114 HydrophobicContact SD-CD1 3.79Å; M99-F114 HydrophobicContact SD-CE1 3.52Å; M99-F114 VanDerWaalsContact SD-CE1 3.52Å; P100-F114 HydrophobicContact CG-CD2 4.15Å; P100-F114 HydrophobicContact CG-CE2 4.01Å; P100-F114 HydrophobicContact CG-CZ 4.28Å; E110-F114 VanDerWaalsContact O-CB 3.32Å; E110-F114 WeakPolarHBondContact O-CB 3.27Å; E110-F114 PolarHBondContact O-N 3.11Å; L111-F114 WeakPolarHBondContact O-CB 3.47Å; L111-F114 PolarHBondContact O-N 2.97Å; F112-F114 VanDerWaalsContact C-N 3.35Å; F114-T117 WeakPolarHBondContact O-CB 3.25Å; F114-T117 PolarHBondContact O-N 3.21Å; F114-C118 VanDerWaalsContact CE1-SG 3.51Å; F114-C118 VanDerWaalsContact CZ-SG 3.51Å; F114-C118 PolarHBondContact O-N 2.89Å; F114-C118 PolarHBondContact O-SG 3.02Å
115I97.1Very high95.9Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-59.1-49.2176.1-66.5167000110.8I70 L72 L77 L111 F112 T117 C118 M119 L174I70-I115 HydrophobicContact CD1-CG2 3.8Å; I70-I115 HydrophobicContact CG2-CG2 4.17Å; L72-I115 HydrophobicContact CD1-CD1 4.4Å; L72-I115 HydrophobicContact CD2-CD1 4.13Å; L77-I115 HydrophobicContact CD1-CG1 4.03Å; L77-I115 HydrophobicContact CD1-CG2 4.27Å; L77-I115 HydrophobicContact CD2-CB 4.27Å; L77-I115 HydrophobicContact CD2-CG1 3.95Å; L77-I115 HydrophobicContact CD2-CG2 4.42Å; L111-I115 HydrophobicContact CD1-CD1 4.18Å; L111-I115 HydrophobicContact CG-CD1 4.25Å; L111-I115 WeakPolarHBondContact O-CG1 3.31Å; L111-I115 PolarHBondContact O-N 3.41Å; L111-I115 VanDerWaalsContact O-N 3.07Å; F112-I115 HydrophobicContact CD1-CD1 4Å; F112-I115 HydrophobicContact CE1-CD1 4.26Å; F112-I115 PolarHBondContact O-N 3.45Å; I115-T117 VanDerWaalsContact C-N 3.27Å; I115-T117 PolarHBondContact O-N 3.31Å; I115-C118 PolarHBondContact O-N 3.48Å; I115-M119 PolarHBondContact O-N 3.18Å; I115-L174 HydrophobicContact CB-CD1 4.43Å; I115-L174 HydrophobicContact CG2-CD1 3.77Å
116A97.7Very high96.3Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-62.9-34.3178.500000112.4F112 D113 A120 A177 K181F112-A116 WeakPolarHBondContact O-CB 3.4Å; F112-A116 PolarHBondContact O-N 3.25Å; D113-A116 PolarHBondContact O-N 3.15Å; A116-A120 WeakPolarHBondContact O-CB 3.3Å; A116-A120 PolarHBondContact O-N 2.79Å; A116-A177 HydrophobicContact CB-CB 3.88Å; A116-A177 WeakPolarHBondContact CB-O 3.3Å; A116-K181 HydrophobicContact CB-CG 3.82Å
117T97.2Very high96.5Very high43 Ų4341.3 Ų41.326%0.26422%0.224SC..Hα-helixtrans-66.9-45.2174.2-580000111.9D113 F114 I115 M119 A120 N121 K181D113-T117 WeakPolarHBondContact O-CB 3.33Å; D113-T117 PolarHBondContact O-N 2.79Å; D113-T117 PolarHBondContact O-OG1 3.47Å; F114-T117 WeakPolarHBondContact O-CB 3.25Å; F114-T117 PolarHBondContact O-N 3.21Å; I115-T117 VanDerWaalsContact C-N 3.27Å; I115-T117 PolarHBondContact O-N 3.31Å; T117-M119 VanDerWaalsContact C-N 3.29Å; T117-M119 PolarHBondContact O-N 2.95Å; T117-A120 PolarHBondContact O-N 3.15Å; T117-N121 VanDerWaalsContact O-CG 3.24Å; T117-N121 PolarHBondContact O-N 3.37Å; T117-N121 PolarHBondContact O-ND2 2.61Å; T117-N121 PolarHBondContact O-OD1 2.74Å; T117-K181 WeakPolarHBondContact OG1-CE 3.04Å; T117-K181 PolarHBondContact OG1-NZ 3.24Å
118C97.3Very high96.5Very high3 Ų339.4 Ų39.42%0.0221%0.211CC..Hα-helixtrans-61.3-40.8176.9-66.30000111.6L77 V79 F97 F114 I115 N121 F122L77-C118 HydrophobicContact CD2-CB 3.65Å; V79-C118 HydrophobicContact CG2-CB 4.33Å; F97-C118 HydrophobicContact CD1-CB 3.93Å; F97-C118 VanDerWaalsContact CD1-SG 3.57Å; F97-C118 HydrophobicContact CD2-CB 3.84Å; F97-C118 HydrophobicContact CE1-CB 3.97Å; F97-C118 HydrophobicContact CE2-CB 3.88Å; F97-C118 HydrophobicContact CG-CB 3.86Å; F97-C118 HydrophobicContact CZ-CB 3.93Å; F97-C118 WeakPolarHBondContact CZ-O 3.34Å; F114-C118 VanDerWaalsContact CE1-SG 3.51Å; F114-C118 VanDerWaalsContact CZ-SG 3.51Å; F114-C118 PolarHBondContact O-N 2.89Å; F114-C118 PolarHBondContact O-SG 3.02Å; I115-C118 PolarHBondContact O-N 3.48Å; C118-N121 PolarHBondContact O-N 2.58Å; C118-F122 PolarHBondContact O-N 2.74Å
119M97.6Very high96.5Very high0 Ų042.3 Ų42.30%023%0.225CC..Hα-helixtrans-64.5-44.4174.7174.2171.724.500112.6L68 I70 I115 T117 N121 F122 L123 L135 I178 L183 V185L68-M119 HydrophobicContact CD2-CG 3.76Å; L68-M119 HydrophobicContact CD2-SD 3.42Å; L68-M119 WeakPolarHBondContact CD2-SD 3.49Å; I70-M119 HydrophobicContact CD1-CB 4.29Å; I70-M119 HydrophobicContact CD1-CE 3.58Å; I70-M119 HydrophobicContact CD1-SD 3.87Å; I115-M119 PolarHBondContact O-N 3.18Å; T117-M119 VanDerWaalsContact C-N 3.29Å; T117-M119 PolarHBondContact O-N 2.95Å; M119-N121 VanDerWaalsContact C-N 3.35Å; M119-N121 PolarHBondContact O-N 3.37Å; M119-F122 PolarHBondContact O-N 2.92Å; M119-L123 HydrophobicContact CG-CD1 3.89Å; M119-L123 HydrophobicContact CG-CG 4.4Å; M119-L123 WeakPolarHBondContact O-CB 3.36Å; M119-L123 WeakPolarHBondContact O-CG 3.37Å; M119-L123 PolarHBondContact O-N 3.07Å; M119-L135 HydrophobicContact CE-CD2 4.45Å; M119-L135 HydrophobicContact SD-CD2 4.22Å; M119-I178 HydrophobicContact CE-CD1 3.7Å; M119-I178 HydrophobicContact CE-CG1 3.41Å; M119-I178 VanDerWaalsContact CE-CG1 3.41Å; M119-I178 HydrophobicContact SD-CD1 4.38Å; M119-I178 HydrophobicContact SD-CG1 4.44Å; M119-L183 HydrophobicContact CB-CD1 4.42Å; M119-L183 HydrophobicContact CE-CD1 4.32Å; M119-L183 HydrophobicContact CG-CD1 3.89Å; M119-L183 HydrophobicContact SD-CD1 4.21Å; M119-V185 HydrophobicContact SD-CB 4.39Å; M119-V185 HydrophobicContact SD-CG1 4.04Å; M119-V185 HydrophobicContact SD-CG2 4.27Å
120A97.9Very high96.4Very high17 Ų1742.8 Ų42.814%0.1423%0.232CC..Hα-helixtrans-57.6-47.5175.600000111.5A116 T117 F122 L123 E124 L183A116-A120 WeakPolarHBondContact O-CB 3.3Å; A116-A120 PolarHBondContact O-N 2.79Å; T117-A120 PolarHBondContact O-N 3.15Å; A120-F122 VanDerWaalsContact C-N 3.32Å; A120-F122 PolarHBondContact O-N 2.9Å; A120-L123 PolarHBondContact O-N 2.85Å; A120-E124 WeakPolarHBondContact O-CB 3.41Å; A120-E124 PolarHBondContact O-N 3.23Å; A120-L183 HydrophobicContact CB-CD1 4.14Å; A120-L183 HydrophobicContact CB-CD2 3.91Å
121N97.5Very high96.5Very high70 Ų7040.6 Ų40.637%0.37423%0.225SC..Hα-helixtrans-60.7-41.1178.4-66.4-12.7000112.1T117 C118 M119 E125T117-N121 VanDerWaalsContact O-CG 3.24Å; T117-N121 PolarHBondContact O-N 3.37Å; T117-N121 PolarHBondContact O-ND2 2.61Å; T117-N121 PolarHBondContact O-OD1 2.74Å; C118-N121 PolarHBondContact O-N 2.58Å; M119-N121 VanDerWaalsContact C-N 3.35Å; M119-N121 PolarHBondContact O-N 3.37Å; N121-E125 WeakPolarHBondContact O-CB 3.44Å; N121-E125 PolarHBondContact O-N 2.88Å; N121-E125 VanDerWaalsContact O-N 3.1Å
122F97.6Very high96.5Very high1 Ų148.1 Ų48.10%0.00426%0.26CS..Hα-helixtrans-67.6-43.2177.4179.8-100.2000111.9L68 V79 M81 E93 R95 C118 M119 A120 E125 K126L68-F122 HydrophobicContact CD1-CD1 4.21Å; L68-F122 HydrophobicContact CD1-CE1 4.13Å; V79-F122 HydrophobicContact CB-CB 4.24Å; V79-F122 HydrophobicContact CB-CD1 4.28Å; V79-F122 HydrophobicContact CB-CG 4.14Å; V79-F122 HydrophobicContact CG1-CB 3.98Å; V79-F122 HydrophobicContact CG1-CD1 3.49Å; V79-F122 VanDerWaalsContact CG1-CD1 3.49Å; V79-F122 HydrophobicContact CG1-CE1 4.12Å; V79-F122 HydrophobicContact CG1-CG 3.79Å; M81-F122 HydrophobicContact CB-CE1 3.77Å; M81-F122 HydrophobicContact CB-CZ 4.09Å; E93-F122 WeakPolarHBondContact O-CZ 3.44Å; R95-F122 HydrophobicContact CB-CD2 3.7Å; R95-F122 HydrophobicContact CB-CE2 4.05Å; C118-F122 PolarHBondContact O-N 2.74Å; M119-F122 PolarHBondContact O-N 2.92Å; A120-F122 VanDerWaalsContact C-N 3.32Å; A120-F122 PolarHBondContact O-N 2.9Å; F122-E125 PolarHBondContact O-N 2.85Å; F122-K126 HydrophobicContact CE1-CG 4.22Å; F122-K126 HydrophobicContact CE2-CG 4.31Å; F122-K126 HydrophobicContact CZ-CG 4.08Å; F122-K126 WeakPolarHBondContact O-CG 3.3Å; F122-K126 PolarHBondContact O-N 2.82Å; F122-K126 VanDerWaalsContact O-N 3.11Å
123L97.6Very high96.5Very high2 Ų248.2 Ų48.21%0.0126%0.261CS..Hα-helixtrans-66.2-36.5177.3-70.5171.2000112.3L68 M119 A120 K126 G127 L128 L129 M133 L183 V185L68-L123 HydrophobicContact CD1-CD2 4.16Å; L68-L123 HydrophobicContact CD2-CD1 4.49Å; L68-L123 HydrophobicContact CD2-CD2 4.49Å; M119-L123 HydrophobicContact CG-CD1 3.89Å; M119-L123 HydrophobicContact CG-CG 4.4Å; M119-L123 WeakPolarHBondContact O-CB 3.36Å; M119-L123 WeakPolarHBondContact O-CG 3.37Å; M119-L123 PolarHBondContact O-N 3.07Å; A120-L123 PolarHBondContact O-N 2.85Å; L123-K126 PolarHBondContact O-N 3.01Å; L123-G127 PolarHBondContact O-N 2.94Å; L123-L128 HydrophobicContact CD2-CB 3.81Å; L123-L128 PolarHBondContact O-N 3.26Å; L123-L129 HydrophobicContact CB-CD2 3.99Å; L123-L129 HydrophobicContact CB-CG 4.47Å; L123-M133 HydrophobicContact CD2-SD 4.03Å; L123-L183 HydrophobicContact CD1-CD1 4.28Å; L123-L183 HydrophobicContact CD1-CD2 4.26Å; L123-V185 HydrophobicContact CD1-CG2 3.79Å
124E97.1Very high96.6Very high127 Ų12747.2 Ų47.259%0.59326%0.255SS*.Hα-helixtrans-61.8-49.4173.5-173.7172.1-135.900111.4A120 K126 G127 L129A120-E124 WeakPolarHBondContact O-CB 3.41Å; A120-E124 PolarHBondContact O-N 3.23Å; E124-K126 PolarHBondContact O-N 3.41Å; E124-G127 PolarHBondContact O-N 2.93Å; E124-L129 HydrophobicContact CB-CD1 3.81Å; E124-L129 HydrophobicContact CB-CD2 4.29Å; E124-L129 HydrophobicContact CB-CG 4.06Å; E124-L129 HydrophobicContact CG-CD1 3.92Å
125E96.4Very high96.7Very high106 Ų10644.6 Ų44.650%0.49524%0.244SC..Hα-helixtrans-56.5-36.6177-172-167.1136.300112.3R95 N121 F122R95-E125 IonicContact CZ-OE2 2.69Å; R95-E125 IonicContact NH1-OE2 3.84Å; R95-E125 PolarHBondContact NH1-OE2 3.43Å; N121-E125 WeakPolarHBondContact O-CB 3.44Å; N121-E125 PolarHBondContact O-N 2.88Å; N121-E125 VanDerWaalsContact O-N 3.1Å; F122-E125 PolarHBondContact O-N 2.85Å
126K95.4Very high96.8Very high63 Ų6344.6 Ų44.627%0.27424%0.244SC..THydrogen-bonded Turntrans-88.2-1.4179-58.1-56.5172.3-171.20114.2E93 F122 L123 E124 L128E93-K126 WeakPolarHBondContact OE2-CE 3.41Å; E93-K126 IonicContact OE2-NZ 3.89Å; E93-K126 PolarHBondContact OE2-NZ 3.48Å; F122-K126 HydrophobicContact CE1-CG 4.22Å; F122-K126 HydrophobicContact CE2-CG 4.31Å; F122-K126 HydrophobicContact CZ-CG 4.08Å; F122-K126 WeakPolarHBondContact O-CG 3.3Å; F122-K126 PolarHBondContact O-N 2.82Å; F122-K126 VanDerWaalsContact O-N 3.11Å; L123-K126 PolarHBondContact O-N 3.01Å; E124-K126 PolarHBondContact O-N 3.41Å; K126-L128 VanDerWaalsContact C-N 3.34Å; K126-L128 HydrophobicContact CB-CD1 3.88Å; K126-L128 HydrophobicContact CB-CG 4.02Å
127G95.6Very high96.8Very high65 Ų6544.6 Ų44.667%0.6724%0.244SC*.THydrogen-bonded Turntrans66.831.9-177.300000113.9L123 E124L123-G127 PolarHBondContact O-N 2.94Å; E124-G127 PolarHBondContact O-N 2.93Å
128L95.5Very high96.8Very high16 Ų1642.6 Ų42.68%0.08423%0.232CC..  trans-115.67.9-172.5-62.9176.3000114.4M81 L123 K126 D130 T131 M133M81-L128 HydrophobicContact CG-CD1 4.39Å; L123-L128 HydrophobicContact CD2-CB 3.81Å; L123-L128 PolarHBondContact O-N 3.26Å; K126-L128 VanDerWaalsContact C-N 3.34Å; K126-L128 HydrophobicContact CB-CD1 3.88Å; K126-L128 HydrophobicContact CB-CG 4.02Å; L128-D130 PolarHBondContact O-N 3.01Å; L128-D130 VanDerWaalsContact O-N 3.12Å; L128-T131 HydrophobicContact CD2-CG2 4.45Å; L128-T131 WeakPolarHBondContact O-CB 3.44Å; L128-T131 PolarHBondContact O-N 3.41Å; L128-M133 HydrophobicContact CD1-SD 4.18Å
129L94.5Very high96.8Very high65 Ų6542.5 Ų42.534%0.3423%0.231SC..THydrogen-bonded Turntrans-52.1-37.2-179.4-75173.2000113.6L123 E124 L183L123-L129 HydrophobicContact CB-CD2 3.99Å; L123-L129 HydrophobicContact CB-CG 4.47Å; E124-L129 HydrophobicContact CB-CD1 3.81Å; E124-L129 HydrophobicContact CB-CD2 4.29Å; E124-L129 HydrophobicContact CB-CG 4.06Å; E124-L129 HydrophobicContact CG-CD1 3.92Å; L129-L183 HydrophobicContact CD2-CD2 3.75Å
130D93.5Very high96.6Very high125 Ų12542.5 Ų42.567%0.66823%0.231SC*.THydrogen-bonded Turntrans-92.11.2-179.5-85.1-58.2000114.8L128 K184L128-D130 PolarHBondContact O-N 3.01Å; L128-D130 VanDerWaalsContact O-N 3.12Å; D130-K184 WeakPolarHBondContact O-CD 3.49Å; D130-K184 PolarHBondContact O-NZ 2.89Å; D130-K184 IonicContact OD1-NZ 3.76Å; D130-K184 PolarHBondContact OD1-NZ 2.75Å
131T95.9Very high96.4Very high56 Ų5641.9 Ų41.934%0.34423%0.225SC..SBendtrans-88.1128.7-178.1-58.20000110.2L128 M133L128-T131 HydrophobicContact CD2-CG2 4.45Å; L128-T131 WeakPolarHBondContact O-CB 3.44Å; L128-T131 PolarHBondContact O-N 3.41Å; T131-M133 HydrophobicContact CG2-CG 3.94Å; T131-M133 PolarHBondContact O-N 3.2Å
132Q96.7Very high96.3Very high159 Ų15938.8 Ų38.874%0.74321%0.209SC*.  trans-70.7122172.4-173.9174.8-10.200110K184Q132-K184 CarbonylContact C-O 3.6Å; Q132-K184 VanDerWaalsContact CA-O 3.27Å; Q132-K184 WeakPolarHBondContact CA-O 3.41Å
133M97.1Very high96.3Very high4 Ų439 Ų392%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-133142.4-178.6-61.2-167.571.900112K66 L68 M81 L123 L128 T131 K184 V185 R186K66-M133 HydrophobicContact CD-CE 4.34Å; K66-M133 HydrophobicContact CG-CE 3.91Å; L68-M133 HydrophobicContact CB-CE 4.22Å; M81-M133 HydrophobicContact CG-CE 4.07Å; L123-M133 HydrophobicContact CD2-SD 4.03Å; L128-M133 HydrophobicContact CD1-SD 4.18Å; T131-M133 HydrophobicContact CG2-CG 3.94Å; T131-M133 PolarHBondContact O-N 3.2Å; M133-K184 PolarHBondContact N-O 2.93Å; M133-V185 WeakPolarHBondContact O-CA 3.43Å; M133-R186 PolarHBondContact O-N 3.08Å
134D97.9Very high96.2Very high15 Ų1541.1 Ų41.18%0.0822%0.222CC..EExtended strand (participates in β ladder)trans-88.3135.5167.2-72.9-46.5000109.2Y67 L68 R186 A188 K447Y67-D134 HydrophobicContact CD1-CB 4.07Å; Y67-D134 HydrophobicContact CE1-CB 4.35Å; L68-D134 PolarHBondContact N-O 3.28Å; D134-R186 IonicContact OD1-CZ 2.95Å; D134-R186 VanDerWaalsContact OD1-CZ 3.3Å; D134-R186 IonicContact OD1-NE 2.87Å; D134-R186 PolarHBondContact OD1-NE 3.06Å; D134-R186 IonicContact OD1-NH2 3.18Å; D134-R186 PolarHBondContact OD1-NH2 3.29Å; D134-R186 IonicContact OD2-NH2 2.93Å; D134-A188 HydrophobicContact CB-CB 3.78Å; D134-K447 IonicContact OD2-NZ 3.46Å
135L98.4Very high96.2Very high0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-111.3125.2-176.4168.465.4000111L68 I70 M119 L174 I178 V185 R186 V187 A188 A189L68-L135 HydrophobicContact CB-CB 4.42Å; L68-L135 HydrophobicContact CB-CD1 4.04Å; L68-L135 HydrophobicContact CD2-CD1 4.09Å; L68-L135 HydrophobicContact CG-CD1 3.98Å; L68-L135 CarbonylContact O-C 3.56Å; L68-L135 VanDerWaalsContact O-CA 3.32Å; L68-L135 WeakPolarHBondContact O-CA 3.49Å; I70-L135 HydrophobicContact CB-CD1 4.12Å; I70-L135 HydrophobicContact CD1-CD1 4.07Å; I70-L135 HydrophobicContact CD1-CD2 3.93Å; I70-L135 HydrophobicContact CG1-CD1 3.75Å; I70-L135 HydrophobicContact CG1-CD2 4.5Å; M119-L135 HydrophobicContact CE-CD2 4.45Å; M119-L135 HydrophobicContact SD-CD2 4.22Å; L135-L174 HydrophobicContact CD2-CD2 4.08Å; L135-I178 HydrophobicContact CD2-CD1 3.82Å; L135-V185 HydrophobicContact CB-CG1 3.54Å; L135-V185 HydrophobicContact CD2-CG1 4Å; L135-V185 HydrophobicContact CG-CG1 4.36Å; L135-R186 PolarHBondContact N-O 3.43Å; L135-V187 HydrophobicContact CD2-CG2 4.15Å; L135-A188 PolarHBondContact O-N 3.48Å; L135-A189 PolarHBondContact O-N 3.49Å
136G98.3Very high96Very high0 Ų036.4 Ų36.40%020%0.198CC..EExtended strand (participates in β ladder)trans-87.3126.8159.800000110.7L68 A69 I70 A189 A439L68-G136 PolarHBondContact O-N 3.47Å; A69-G136 CarbonylContact C-O 3.56Å; A69-G136 VanDerWaalsContact CA-O 3.23Å; A69-G136 WeakPolarHBondContact CA-O 3.44Å; I70-G136 PolarHBondContact N-O 3.01Å; G136-A189 CarbonylContact C-O 3.19Å; G136-A439 WeakPolarHBondContact CA-O 3.42Å
137F97.9Very high96.1Very high0 Ų035.6 Ų35.60%020%0.2CC..EExtended strand (participates in β ladder)trans-112.9100.9-179.6-179.1-154.7000111.9I70 L72 F112 F139 V170 L174 V187 A189 L190 M191I70-F137 HydrophobicContact CB-CD2 4.05Å; I70-F137 HydrophobicContact CG2-CD2 3.86Å; I70-F137 HydrophobicContact CG2-CE2 3.91Å; L72-F137 HydrophobicContact CB-CE2 4.06Å; F112-F137 AromaticContact CE1-CE1 3.99Å; F112-F137 HydrophobicContact CE1-CE1 3.99Å; F112-F137 HydrophobicContact CE1-CZ 4.03Å; F137-F139 HydrophobicContact CD1-CB 4.44Å; F137-F139 HydrophobicContact CE1-CB 4.18Å; F137-F139 AromaticContact CE1-CD2 3.94Å; F137-F139 HydrophobicContact CE1-CD2 3.94Å; F137-F139 HydrophobicContact CE1-CG 4.29Å; F137-F139 HydrophobicContact CE2-CB 4.26Å; F137-F139 HydrophobicContact CE2-CD2 4.14Å; F137-F139 HydrophobicContact CZ-CB 4.09Å; F137-F139 AromaticContact CZ-CD2 3.46Å; F137-F139 HydrophobicContact CZ-CD2 3.46Å; F137-F139 VanDerWaalsContact CZ-CD2 3.46Å; F137-F139 HydrophobicContact CZ-CE2 4.28Å; F137-F139 HydrophobicContact CZ-CG 4.14Å; F137-F139 PolarHBondContact O-N 3Å; F137-V170 HydrophobicContact CD1-CG1 4.35Å; F137-V170 HydrophobicContact CE1-CG1 3.57Å; F137-V170 HydrophobicContact CZ-CG1 4.42Å; F137-L174 HydrophobicContact CB-CD2 4.15Å; F137-L174 HydrophobicContact CD1-CD2 3.31Å; F137-L174 HydrophobicContact CD2-CD2 4.13Å; F137-L174 HydrophobicContact CE1-CB 4.27Å; F137-L174 HydrophobicContact CE1-CD2 3.56Å; F137-L174 HydrophobicContact CE1-CG 4.48Å; F137-L174 HydrophobicContact CE2-CD2 4.36Å; F137-L174 HydrophobicContact CG-CD2 3.61Å; F137-L174 HydrophobicContact CZ-CD2 4.09Å; F137-V187 HydrophobicContact CB-CG1 4.28Å; F137-A189 PolarHBondContact N-O 2.92Å; F137-L190 HydrophobicContact CD1-CD1 3.86Å; F137-L190 HydrophobicContact CD1-CG 4.49Å; F137-L190 HydrophobicContact CE1-CD1 4.26Å; F137-L190 WeakPolarHBondContact O-CA 3.36Å; F137-M191 WeakPolarHBondContact O-CE 3.35Å; F137-M191 PolarHBondContact O-N 2.99Å; F137-M191 VanDerWaalsContact O-N 3.15Å
138T97.6Very high96.1Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-74.2114.6170.2-65.90000109.3I70 D71 L72 M191 D193 S435 A439I70-T138 PolarHBondContact O-N 3.44Å; D71-T138 WeakPolarHBondContact OD1-CG2 3.47Å; L72-T138 PolarHBondContact N-O 2.83Å; T138-M191 WeakPolarHBondContact CA-O 3.44Å; T138-D193 VanDerWaalsContact CG2-CA 3.5Å; T138-D193 HydrophobicContact CG2-CB 3.7Å; T138-S435 PolarHBondContact OG1-O 2.75Å; T138-A439 VanDerWaalsContact OG1-CB 3.31Å; T138-A439 WeakPolarHBondContact OG1-CB 3.17Å
139F96.2Very high96.1Very high1 Ų135.2 Ų35.20%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-127.899.2-178.6-172-105.4000108.7L72 F112 F137 Y141 L153 W156 V170 L190 M191L72-F139 HydrophobicContact CD2-CD2 3.86Å; L72-F139 HydrophobicContact CD2-CE2 3.75Å; F112-F139 HydrophobicContact CZ-CE2 4.33Å; F137-F139 HydrophobicContact CD1-CB 4.44Å; F137-F139 HydrophobicContact CE1-CB 4.18Å; F137-F139 AromaticContact CE1-CD2 3.94Å; F137-F139 HydrophobicContact CE1-CD2 3.94Å; F137-F139 HydrophobicContact CE1-CG 4.29Å; F137-F139 HydrophobicContact CE2-CB 4.26Å; F137-F139 HydrophobicContact CE2-CD2 4.14Å; F137-F139 HydrophobicContact CZ-CB 4.09Å; F137-F139 AromaticContact CZ-CD2 3.46Å; F137-F139 HydrophobicContact CZ-CD2 3.46Å; F137-F139 VanDerWaalsContact CZ-CD2 3.46Å; F137-F139 HydrophobicContact CZ-CE2 4.28Å; F137-F139 HydrophobicContact CZ-CG 4.14Å; F137-F139 PolarHBondContact O-N 3Å; F139-Y141 HydrophobicContact CD1-CD2 4.17Å; F139-Y141 AromaticContact CD2-CD2 4Å; F139-Y141 HydrophobicContact CD2-CD2 4Å; F139-Y141 AromaticContact CE1-CD2 3.93Å; F139-Y141 HydrophobicContact CE1-CD2 3.93Å; F139-Y141 HydrophobicContact CE1-CG 4.26Å; F139-Y141 AromaticContact CE2-CD2 3.72Å; F139-Y141 HydrophobicContact CE2-CD2 3.72Å; F139-Y141 HydrophobicContact CE2-CE2 4.26Å; F139-Y141 HydrophobicContact CG-CD2 4.23Å; F139-Y141 AromaticContact CZ-CD2 3.69Å; F139-Y141 HydrophobicContact CZ-CD2 3.69Å; F139-Y141 HydrophobicContact CZ-CG 4.25Å; F139-Y141 PolarHBondContact O-N 3.21Å; F139-L153 HydrophobicContact CE1-CD1 3.84Å; F139-L153 HydrophobicContact CZ-CD1 4.24Å; F139-W156 HydrophobicContact CE2-CH2 4.02Å; F139-W156 HydrophobicContact CE2-CZ3 4.02Å; F139-W156 AromaticContact CZ-CH2 3.7Å; F139-W156 HydrophobicContact CZ-CH2 3.7Å; F139-W156 AromaticContact CZ-CZ3 3.61Å; F139-W156 HydrophobicContact CZ-CZ3 3.61Å; F139-V170 HydrophobicContact CD1-CG1 4.16Å; F139-V170 HydrophobicContact CD1-CG2 4.49Å; F139-V170 HydrophobicContact CD2-CG1 4.09Å; F139-V170 HydrophobicContact CE1-CB 4.48Å; F139-V170 HydrophobicContact CE1-CG1 4.09Å; F139-V170 HydrophobicContact CE1-CG2 3.82Å; F139-V170 HydrophobicContact CE2-CG1 4.05Å; F139-V170 HydrophobicContact CG-CG1 4.13Å; F139-V170 HydrophobicContact CZ-CG1 4.05Å; F139-V170 HydrophobicContact CZ-CG2 3.99Å; F139-L190 HydrophobicContact CB-CD1 3.92Å; F139-L190 HydrophobicContact CB-CD2 4.44Å; F139-L190 HydrophobicContact CB-CG 4.09Å; F139-L190 HydrophobicContact CD1-CD1 4.45Å; F139-L190 HydrophobicContact CG-CD1 4.36Å; F139-M191 PolarHBondContact N-O 3.46Å
140S93.8Very high96.2Very high1 Ų132.7 Ų32.71%0.00717%0.167CC..  trans-76.822.1-164.8-44.20000114.8L72 K158 D193L72-S140 PolarHBondContact O-OG 3.16Å; L72-S140 VanDerWaalsContact O-OG 3.08Å; S140-K158 PolarHBondContact O-NZ 2.95Å; S140-D193 VanDerWaalsContact CB-CG 3.46Å; S140-D193 WeakPolarHBondContact CB-OD2 3.1Å; S140-D193 WeakPolarHBondContact OG-CB 3.47Å; S140-D193 PolarHBondContact OG-OD2 3.24Å
141Y94Very high96.4Very high3 Ų326.8 Ų26.81%0.01214%0.136CC..SBendtrans-119.1149.4-173.7-56-84.7000109.6L72 G73 F139 C143 W156 T157 K158 F160L72-Y141 HydrophobicContact CD2-CE2 4.17Å; L72-Y141 HydrophobicContact CG-CE2 4.35Å; G73-Y141 PolarHBondContact O-OH 2.91Å; F139-Y141 HydrophobicContact CD1-CD2 4.17Å; F139-Y141 AromaticContact CD2-CD2 4Å; F139-Y141 HydrophobicContact CD2-CD2 4Å; F139-Y141 AromaticContact CE1-CD2 3.93Å; F139-Y141 HydrophobicContact CE1-CD2 3.93Å; F139-Y141 HydrophobicContact CE1-CG 4.26Å; F139-Y141 AromaticContact CE2-CD2 3.72Å; F139-Y141 HydrophobicContact CE2-CD2 3.72Å; F139-Y141 HydrophobicContact CE2-CE2 4.26Å; F139-Y141 HydrophobicContact CG-CD2 4.23Å; F139-Y141 AromaticContact CZ-CD2 3.69Å; F139-Y141 HydrophobicContact CZ-CD2 3.69Å; F139-Y141 HydrophobicContact CZ-CG 4.25Å; F139-Y141 PolarHBondContact O-N 3.21Å; Y141-C143 PolarHBondContact O-N 2.85Å; Y141-C143 VanDerWaalsContact O-N 3.14Å; Y141-W156 AromaticContact CD1-CE3 3.75Å; Y141-W156 HydrophobicContact CD1-CE3 3.75Å; Y141-W156 HydrophobicContact CD1-CZ3 4.1Å; Y141-W156 HydrophobicContact CD2-CE3 4.21Å; Y141-W156 AromaticContact CD2-CZ3 3.7Å; Y141-W156 HydrophobicContact CD2-CZ3 3.7Å; Y141-W156 AromaticContact CE1-CE3 4Å; Y141-W156 HydrophobicContact CE1-CE3 4Å; Y141-W156 HydrophobicContact CE1-CZ3 4.25Å; Y141-W156 HydrophobicContact CE2-CE3 4.45Å; Y141-W156 AromaticContact CE2-CZ3 3.88Å; Y141-W156 HydrophobicContact CE2-CZ3 3.88Å; Y141-W156 AromaticContact CG-CE3 3.88Å; Y141-W156 HydrophobicContact CG-CE3 3.88Å; Y141-W156 AromaticContact CG-CZ3 3.83Å; Y141-W156 HydrophobicContact CG-CZ3 3.83Å; Y141-T157 WeakPolarHBondContact CD1-OG1 3.08Å; Y141-T157 WeakPolarHBondContact CE1-O 3.26Å; Y141-K158 HydrophobicContact CE1-CB 4.24Å; Y141-K158 HydrophobicContact CE1-CD 4.18Å; Y141-F160 HydrophobicContact CE1-CB 4.18Å; Y141-F160 HydrophobicContact CE1-CD2 4.08Å; Y141-F160 HydrophobicContact CE1-CG 4.14Å; Y141-F160 AromaticContact CZ-CD2 3.77Å; Y141-F160 AromaticContact CZ-CG 3.91Å; Y141-F160 WeakPolarHBondContact OH-CD2 3.38Å; Y141-F160 WeakPolarHBondContact OH-CE2 3.14Å; Y141-F160 WeakPolarHBondContact OH-CZ 3.39Å
142P94.9Very high96.5Very high5 Ų527.1 Ų27.13%0.03214%0.135CC..  trans-64118.6-173.224.3-34.2000111.2L51 L154 R155 T157 E247L51-P142 HydrophobicContact CD1-CB 3.84Å; P142-L154 HydrophobicContact CB-CB 4.47Å; P142-L154 HydrophobicContact CB-CD1 4.36Å; P142-L154 WeakPolarHBondContact O-CB 3.4Å; P142-L154 PolarHBondContact O-N 2.95Å; P142-R155 HydrophobicContact CG-CG 3.93Å; P142-R155 WeakPolarHBondContact CG-O 3.38Å; P142-T157 HydrophobicContact CG-CG2 4.08Å; P142-E247 HydrophobicContact CB-CG 4.2Å
143C97.1Very high96.5Very high5 Ų519.6 Ų19.63%0.03410%0.099CC..EExtended strand (participates in β ladder)trans-119.3139.1177.9-77.30000111.8Y141 Q145 A151 I152Y141-C143 PolarHBondContact O-N 2.85Å; Y141-C143 VanDerWaalsContact O-N 3.14Å; C143-Q145 HydrophobicContact CB-CG 4.2Å; C143-Q145 PolarHBondContact O-N 3.06Å; C143-A151 HydrophobicContact CB-CB 4.06Å; C143-I152 CarbonylContact C-O 3.58Å; C143-I152 VanDerWaalsContact CA-O 3.24Å; C143-I152 WeakPolarHBondContact CA-O 3.42Å
144D96.7Very high96.4Very high48 Ų4822.3 Ų22.326%0.25711%0.114SC..EExtended strand (participates in β ladder)trans-81.491.9161.8-176.618.7000108.5K146 I152 L154D144-K146 WeakPolarHBondContact OD1-CE 3.29Å; D144-K146 IonicContact OD1-NZ 2.84Å; D144-K146 PolarHBondContact OD1-NZ 2.96Å; D144-K146 WeakPolarHBondContact OD2-CE 3.3Å; D144-K146 IonicContact OD2-NZ 3.01Å; D144-K146 PolarHBondContact OD2-NZ 3.29Å; D144-I152 HydrophobicContact CB-CB 4.48Å; D144-I152 PolarHBondContact N-O 2.94Å; D144-I152 PolarHBondContact O-N 3.15Å; D144-L154 HydrophobicContact CB-CD1 4.41Å; D144-L154 HydrophobicContact CB-CD2 3.87Å; D144-L154 HydrophobicContact CB-CG 4.17Å
145Q96.8Very high96.2Very high10 Ų1026.1 Ų26.15%0.04713%0.127CC..EExtended strand (participates in β ladder)trans-78139.3175.1-65.1-171-119.500110.6P52 S53 F54 C143 S147 G150 A151 L190P52-Q145 WeakPolarHBondContact O-CB 3.31Å; S53-Q145 PolarHBondContact O-NE2 3.02Å; F54-Q145 HydrophobicContact CD2-CB 4.04Å; F54-Q145 HydrophobicContact CE2-CB 4.31Å; F54-Q145 WeakPolarHBondContact CE2-O 3.2Å; C143-Q145 HydrophobicContact CB-CG 4.2Å; C143-Q145 PolarHBondContact O-N 3.06Å; Q145-S147 PolarHBondContact NE2-O 3.47Å; Q145-G150 WeakPolarHBondContact CA-O 3.41Å; Q145-A151 HydrophobicContact CG-CB 3.82Å; Q145-L190 HydrophobicContact CG-CD2 4.35Å; Q145-L190 PolarHBondContact NE2-O 3.35Å
146K93.1Very high96Very high124 Ų12426.2 Ų26.254%0.53913%0.127SC..EExtended strand (participates in β ladder)trans-113-13.4169.5-56.7-56.9179-154.40112.6F54 D144 G150F54-K146 WeakPolarHBondContact CE1-O 3.4Å; F54-K146 WeakPolarHBondContact CZ-O 3.49Å; D144-K146 WeakPolarHBondContact OD1-CE 3.29Å; D144-K146 IonicContact OD1-NZ 2.84Å; D144-K146 PolarHBondContact OD1-NZ 2.96Å; D144-K146 WeakPolarHBondContact OD2-CE 3.3Å; D144-K146 IonicContact OD2-NZ 3.01Å; D144-K146 PolarHBondContact OD2-NZ 3.29Å; K146-G150 PolarHBondContact N-O 3.41Å
147S95.8Very high95.5Very high46 Ų4626.3 Ų26.332%0.32213%0.128SC..EExtended strand (participates in β ladder)trans-164.7179.3173.268.10000108.4Q145 R149 G150Q145-S147 PolarHBondContact NE2-O 3.47Å; S147-R149 PolarHBondContact O-N 2.93Å; S147-R149 VanDerWaalsContact O-N 3.15Å; S147-R149 PolarHBondContact OG-N 3.18Å; S147-R149 VanDerWaalsContact OG-N 3.11Å; S147-G150 PolarHBondContact O-N 3.01Å; S147-G150 PolarHBondContact OG-N 2.91Å
148L95.9Very high94.8Very high5 Ų527.3 Ų27.33%0.02613%0.132CC..THydrogen-bonded Turntrans-61.4-17.6169.7-67.2173.7000112.7S53 F54 V55 A189 L190 V442 A446 L451S53-L148 WeakPolarHBondContact O-CD2 2.82Å; F54-L148 HydrophobicContact CB-CD2 4.34Å; F54-L148 HydrophobicContact CB-CG 4.28Å; V55-L148 HydrophobicContact CG2-CD2 3.68Å; L148-A189 HydrophobicContact CB-CB 4.16Å; L148-A189 HydrophobicContact CD2-CB 4.41Å; L148-A189 CarbonylContact O-C 3.55Å; L148-A189 VanDerWaalsContact O-CA 3.25Å; L148-A189 WeakPolarHBondContact O-CA 3.44Å; L148-L190 PolarHBondContact O-N 3.22Å; L148-V442 HydrophobicContact CD2-CG1 4.21Å; L148-A446 HydrophobicContact CD1-CB 3.67Å; L148-L451 HydrophobicContact CD1-CB 3.97Å; L148-L451 HydrophobicContact CD1-CD1 4.18Å
149R95.8Very high94Very high68 Ų6828.2 Ų28.226%0.25714%0.142SC..THydrogen-bonded Turntrans-118.110.3-174.4-68.1-172.261.4129.815.1115S147 V171 R186 V187 A188 S452S147-R149 PolarHBondContact O-N 2.93Å; S147-R149 VanDerWaalsContact O-N 3.15Å; S147-R149 PolarHBondContact OG-N 3.18Å; S147-R149 VanDerWaalsContact OG-N 3.11Å; R149-V171 WeakPolarHBondContact O-CB 3.29Å; R149-V171 WeakPolarHBondContact O-CG1 3.46Å; R149-R186 VanDerWaalsContact NH1-CD 3.27Å; R149-R186 VanDerWaalsContact NH1-CZ 3.33Å; R149-V187 PolarHBondContact NE-O 3.32Å; R149-V187 PolarHBondContact NH1-O 2.58Å; R149-V187 PolarHBondContact NH2-O 3.17Å; R149-V187 VanDerWaalsContact NH2-O 3.15Å; R149-A188 VanDerWaalsContact CG-O 3.27Å; R149-A188 WeakPolarHBondContact CG-O 3.39Å; R149-S452 WeakPolarHBondContact CD-OXT 3.49Å; R149-S452 PolarHBondContact NE-OXT 2.87Å; R149-S452 PolarHBondContact NH1-OXT 2.74Å
150G96Very high93.6Very high12 Ų1228.2 Ų28.212%0.12414%0.142CC..EExtended strand (participates in β ladder)trans-142.8113.4178.900000109.6Q145 K146 S147Q145-G150 WeakPolarHBondContact CA-O 3.41Å; K146-G150 PolarHBondContact N-O 3.41Å; S147-G150 PolarHBondContact O-N 3.01Å; S147-G150 PolarHBondContact OG-N 2.91Å
151A97.5Very high93.4Very high0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-144.8111.2-172.700000110.5C143 Q145 D169 V170 V171 L190C143-A151 HydrophobicContact CB-CB 4.06Å; Q145-A151 HydrophobicContact CG-CB 3.82Å; A151-D169 PolarHBondContact N-OD1 2.95Å; A151-D169 CarbonylContact O-C 3.45Å; A151-D169 VanDerWaalsContact O-CA 3.31Å; A151-D169 WeakPolarHBondContact O-CA 3.38Å; A151-V170 PolarHBondContact O-N 2.75Å; A151-V171 HydrophobicContact CB-CG2 4.34Å; A151-L190 HydrophobicContact CB-CD1 3.92Å; A151-L190 HydrophobicContact CB-CD2 3.66Å; A151-L190 HydrophobicContact CB-CG 4.27Å
152I98.2Very high93.3Very high64 Ų6432.2 Ų32.233%0.32816%0.164SC..EExtended strand (participates in β ladder)trans-89120.7178.1-61.8174.8000108.5C143 D144 L154 G167 N168C143-I152 CarbonylContact C-O 3.58Å; C143-I152 VanDerWaalsContact CA-O 3.24Å; C143-I152 WeakPolarHBondContact CA-O 3.42Å; D144-I152 HydrophobicContact CB-CB 4.48Å; D144-I152 PolarHBondContact N-O 2.94Å; D144-I152 PolarHBondContact O-N 3.15Å; I152-L154 PolarHBondContact O-N 3.25Å; I152-G167 VanDerWaalsContact CG2-C 3.48Å; I152-N168 WeakPolarHBondContact CA-O 3.48Å
153L97.6Very high93.3Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-62.1121.4173.3174.765.5000109.5F139 R155 W156 V165 E166 G167 N168 V170F139-L153 HydrophobicContact CE1-CD1 3.84Å; F139-L153 HydrophobicContact CZ-CD1 4.24Å; L153-R155 VanDerWaalsContact CD1-O 3.31Å; L153-R155 WeakPolarHBondContact CD1-O 3.2Å; L153-W156 HydrophobicContact CD1-CE3 4.5Å; L153-W156 HydrophobicContact CD2-CD2 3.61Å; L153-W156 VanDerWaalsContact CD2-CE2 3.44Å; L153-W156 HydrophobicContact CD2-CE3 3.92Å; L153-W156 HydrophobicContact CD2-CG 4.19Å; L153-W156 HydrophobicContact CD2-CH2 3.97Å; L153-W156 HydrophobicContact CD2-CZ2 3.66Å; L153-W156 HydrophobicContact CD2-CZ3 4.08Å; L153-V165 HydrophobicContact CB-CG1 4.39Å; L153-V165 HydrophobicContact CD2-CB 3.98Å; L153-V165 HydrophobicContact CD2-CG1 3.6Å; L153-E166 HydrophobicContact CD2-CB 4.46Å; L153-E166 HydrophobicContact CD2-CG 3.83Å; L153-E166 HydrophobicContact CG-CG 4.27Å; L153-G167 PolarHBondContact O-N 2.61Å; L153-N168 PolarHBondContact N-O 2.91Å; L153-N168 VanDerWaalsContact N-O 3.14Å; L153-V170 HydrophobicContact CB-CG2 3.78Å
154L95.4Very high93.3Very high61 Ų6137.8 Ų37.832%0.31921%0.212SC..  trans-77.4-43.4179.7-70.2169.6000111.6L43 L51 P142 D144 I152L43-L154 HydrophobicContact CD1-CD1 3.87Å; L51-L154 HydrophobicContact CD1-CD1 4.4Å; L51-L154 HydrophobicContact CD2-CD1 3.88Å; P142-L154 HydrophobicContact CB-CB 4.47Å; P142-L154 HydrophobicContact CB-CD1 4.36Å; P142-L154 WeakPolarHBondContact O-CB 3.4Å; P142-L154 PolarHBondContact O-N 2.95Å; D144-L154 HydrophobicContact CB-CD1 4.41Å; D144-L154 HydrophobicContact CB-CD2 3.87Å; D144-L154 HydrophobicContact CB-CG 4.17Å; I152-L154 PolarHBondContact O-N 3.25Å
155R93.8Very high93.3Very high95 Ų9535.5 Ų35.536%0.35820%0.2SC..  trans-169.315317761.2-174.665.1178.8-0.8110.6P142 L153 T157 E166P142-R155 HydrophobicContact CG-CG 3.93Å; P142-R155 WeakPolarHBondContact CG-O 3.38Å; L153-R155 VanDerWaalsContact CD1-O 3.31Å; L153-R155 WeakPolarHBondContact CD1-O 3.2Å; R155-T157 HydrophobicContact CG-CG2 4.4Å; R155-E166 VanDerWaalsContact CA-OE1 3.27Å; R155-E166 WeakPolarHBondContact CA-OE1 3.33Å
156W92.9Very high93.3Very high2 Ų239 Ų391%0.00822%0.216CC..  trans-69.9152.2165.9-68.9118.2000112.1L111 F139 Y141 L153 F160 A162 V165 E166L111-W156 HydrophobicContact CD2-CH2 3.86Å; L111-W156 HydrophobicContact CD2-CZ2 4.19Å; F139-W156 HydrophobicContact CE2-CH2 4.02Å; F139-W156 HydrophobicContact CE2-CZ3 4.02Å; F139-W156 AromaticContact CZ-CH2 3.7Å; F139-W156 HydrophobicContact CZ-CH2 3.7Å; F139-W156 AromaticContact CZ-CZ3 3.61Å; F139-W156 HydrophobicContact CZ-CZ3 3.61Å; Y141-W156 AromaticContact CD1-CE3 3.75Å; Y141-W156 HydrophobicContact CD1-CE3 3.75Å; Y141-W156 HydrophobicContact CD1-CZ3 4.1Å; Y141-W156 HydrophobicContact CD2-CE3 4.21Å; Y141-W156 AromaticContact CD2-CZ3 3.7Å; Y141-W156 HydrophobicContact CD2-CZ3 3.7Å; Y141-W156 AromaticContact CE1-CE3 4Å; Y141-W156 HydrophobicContact CE1-CE3 4Å; Y141-W156 HydrophobicContact CE1-CZ3 4.25Å; Y141-W156 HydrophobicContact CE2-CE3 4.45Å; Y141-W156 AromaticContact CE2-CZ3 3.88Å; Y141-W156 HydrophobicContact CE2-CZ3 3.88Å; Y141-W156 AromaticContact CG-CE3 3.88Å; Y141-W156 HydrophobicContact CG-CE3 3.88Å; Y141-W156 AromaticContact CG-CZ3 3.83Å; Y141-W156 HydrophobicContact CG-CZ3 3.83Å; L153-W156 HydrophobicContact CD1-CE3 4.5Å; L153-W156 HydrophobicContact CD2-CD2 3.61Å; L153-W156 VanDerWaalsContact CD2-CE2 3.44Å; L153-W156 HydrophobicContact CD2-CE3 3.92Å; L153-W156 HydrophobicContact CD2-CG 4.19Å; L153-W156 HydrophobicContact CD2-CH2 3.97Å; L153-W156 HydrophobicContact CD2-CZ2 3.66Å; L153-W156 HydrophobicContact CD2-CZ3 4.08Å; W156-F160 HydrophobicContact CB-CB 4.29Å; W156-F160 WeakPolarHBondContact CB-O 3.43Å; W156-F160 HydrophobicContact CD2-CB 3.85Å; W156-F160 HydrophobicContact CE3-CB 3.58Å; W156-F160 HydrophobicContact CE3-CD1 4.35Å; W156-F160 HydrophobicContact CE3-CG 4.26Å; W156-F160 HydrophobicContact CG-CB 4.19Å; W156-F160 HydrophobicContact CH2-CD1 4.39Å; W156-F160 HydrophobicContact CZ3-CB 4.17Å; W156-F160 HydrophobicContact CZ3-CD1 4.08Å; W156-F160 HydrophobicContact CZ3-CG 4.38Å; W156-A162 HydrophobicContact CZ2-CB 3.89Å; W156-A162 PolarHBondContact NE1-O 2.88Å; W156-V165 HydrophobicContact CH2-CB 4.39Å; W156-V165 HydrophobicContact CH2-CG1 4.02Å; W156-V165 HydrophobicContact CZ2-CB 3.49Å; W156-V165 VanDerWaalsContact CZ2-CB 3.49Å; W156-V165 HydrophobicContact CZ2-CG1 3.6Å; W156-V165 HydrophobicContact CZ2-CG2 3.75Å; W156-E166 HydrophobicContact CG-CG 4.3Å; W156-E166 PolarHBondContact N-OE1 2.89Å
157T88.3Confident93.5Very high2 Ų235.8 Ų35.81%0.01222%0.218CC..  trans-141.3-177173.5660000108.2Y141 P142 R155 G159 F160 Q278Y141-T157 WeakPolarHBondContact CD1-OG1 3.08Å; Y141-T157 WeakPolarHBondContact CE1-O 3.26Å; P142-T157 HydrophobicContact CG-CG2 4.08Å; R155-T157 HydrophobicContact CG-CG2 4.4Å; T157-G159 PolarHBondContact O-N 2.81Å; T157-F160 PolarHBondContact O-N 3.35Å; T157-F160 VanDerWaalsContact O-N 3.14Å; T157-Q278 HydrophobicContact CG2-CG 3.84Å
158K83Confident93.6Very high21 Ų2137.3 Ų37.39%0.09122%0.223CC..THydrogen-bonded Turntrans56.622.3172.3-56.5163.6-178.5173.40114.4S140 Y141 D193 T216S140-K158 PolarHBondContact O-NZ 2.95Å; Y141-K158 HydrophobicContact CE1-CB 4.24Å; Y141-K158 HydrophobicContact CE1-CD 4.18Å; K158-D193 IonicContact NZ-OD2 2.84Å; K158-T216 HydrophobicContact CB-CG2 4.03Å; K158-T216 HydrophobicContact CG-CG2 4.33Å
159G80.2Confident93.7Very high20 Ų2038.3 Ų38.321%0.20623%0.228CC..THydrogen-bonded Turntrans85.40.8177.900000116.2T157T157-G159 PolarHBondContact O-N 2.81Å
160F87.9Confident93.8Very high0 Ų035.1 Ų35.10%022%0.216CC..  trans-70.8149.2169.9-86.2-114.5000110.5L72 M104 L111 Y141 W156 T157L72-F160 HydrophobicContact CD1-CZ 4.39Å; M104-F160 HydrophobicContact CB-CD1 4.39Å; M104-F160 HydrophobicContact CB-CE1 4.28Å; M104-F160 HydrophobicContact CB-CZ 4.43Å; M104-F160 HydrophobicContact CE-CD2 3.92Å; M104-F160 HydrophobicContact CE-CE2 3.54Å; M104-F160 HydrophobicContact CE-CZ 4.12Å; M104-F160 HydrophobicContact CG-CE1 3.93Å; M104-F160 HydrophobicContact CG-CE2 4.13Å; M104-F160 HydrophobicContact CG-CZ 3.73Å; M104-F160 HydrophobicContact SD-CE2 4.36Å; M104-F160 HydrophobicContact SD-CZ 4.37Å; L111-F160 HydrophobicContact CD1-CE1 4.27Å; L111-F160 HydrophobicContact CD2-CD1 4.37Å; L111-F160 HydrophobicContact CD2-CE1 4.31Å; Y141-F160 HydrophobicContact CE1-CB 4.18Å; Y141-F160 HydrophobicContact CE1-CD2 4.08Å; Y141-F160 HydrophobicContact CE1-CG 4.14Å; Y141-F160 AromaticContact CZ-CD2 3.77Å; Y141-F160 AromaticContact CZ-CG 3.91Å; Y141-F160 WeakPolarHBondContact OH-CD2 3.38Å; Y141-F160 WeakPolarHBondContact OH-CE2 3.14Å; Y141-F160 WeakPolarHBondContact OH-CZ 3.39Å; W156-F160 HydrophobicContact CB-CB 4.29Å; W156-F160 WeakPolarHBondContact CB-O 3.43Å; W156-F160 HydrophobicContact CD2-CB 3.85Å; W156-F160 HydrophobicContact CE3-CB 3.58Å; W156-F160 HydrophobicContact CE3-CD1 4.35Å; W156-F160 HydrophobicContact CE3-CG 4.26Å; W156-F160 HydrophobicContact CG-CB 4.19Å; W156-F160 HydrophobicContact CH2-CD1 4.39Å; W156-F160 HydrophobicContact CZ3-CB 4.17Å; W156-F160 HydrophobicContact CZ3-CD1 4.08Å; W156-F160 HydrophobicContact CZ3-CG 4.38Å; T157-F160 PolarHBondContact O-N 3.35Å; T157-F160 VanDerWaalsContact O-N 3.14Å
161N89.6Confident93.9Very high87 Ų8734.8 Ų34.847%0.46521%0.211SC..  trans-154.536.5174.3-163.122.7000112.1M104 S163M104-N161 PolarHBondContact O-N 2.84Å; N161-S163 PolarHBondContact O-N 2.87Å
162A92.5Very high93.9Very high1 Ų141.5 Ų41.51%0.00824%0.24CC..  trans-67.6120.4-177.600000111M104 G106 L111 W156 V165M104-A162 PolarHBondContact O-N 2.91Å; G106-A162 CarbonylContact O-C 3.24Å; G106-A162 WeakPolarHBondContact O-CA 3.4Å; L111-A162 HydrophobicContact CB-CB 4.46Å; L111-A162 HydrophobicContact CD2-CB 3.97Å; W156-A162 HydrophobicContact CZ2-CB 3.89Å; W156-A162 PolarHBondContact NE1-O 2.88Å; A162-V165 HydrophobicContact CB-CG2 4.38Å
163S95.4Very high93.9Very high68 Ų6840.2 Ų40.248%0.47623%0.234SC..BIsolated β-bridgetrans-68.7148.6-17457.20000113G106 T107 G108 N161 V165G106-S163 PolarHBondContact O-N 2.89Å; G106-S163 PolarHBondContact O-OG 2.92Å; T107-S163 WeakPolarHBondContact CA-OG 3.45Å; G108-S163 WeakPolarHBondContact CA-O 3.25Å; G108-S163 PolarHBondContact N-O 3.1Å; N161-S163 PolarHBondContact O-N 2.87Å; S163-V165 VanDerWaalsContact C-N 3.31Å; S163-V165 PolarHBondContact O-N 3.35Å
164G96.2Very high93.9Very high59 Ų5940.2 Ų40.261%0.60823%0.234SC*.THydrogen-bonded Turntrans77.39.1176.600000115.7N168G164-N168 PolarHBondContact O-ND2 3.15Å
165V97.6Very high94.1Very high0 Ų038.7 Ų38.70%023%0.225CC..  trans-102.1-41.1175.4-169.90000111.6F112 L153 W156 A162 S163 G167 N168 V170 I173F112-V165 HydrophobicContact CD2-CG2 4.47Å; F112-V165 HydrophobicContact CE2-CG1 3.84Å; F112-V165 HydrophobicContact CE2-CG2 3.87Å; F112-V165 HydrophobicContact CZ-CG1 4.26Å; L153-V165 HydrophobicContact CB-CG1 4.39Å; L153-V165 HydrophobicContact CD2-CB 3.98Å; L153-V165 HydrophobicContact CD2-CG1 3.6Å; W156-V165 HydrophobicContact CH2-CB 4.39Å; W156-V165 HydrophobicContact CH2-CG1 4.02Å; W156-V165 HydrophobicContact CZ2-CB 3.49Å; W156-V165 VanDerWaalsContact CZ2-CB 3.49Å; W156-V165 HydrophobicContact CZ2-CG1 3.6Å; W156-V165 HydrophobicContact CZ2-CG2 3.75Å; A162-V165 HydrophobicContact CB-CG2 4.38Å; S163-V165 VanDerWaalsContact C-N 3.31Å; S163-V165 PolarHBondContact O-N 3.35Å; V165-G167 PolarHBondContact O-N 3.1Å; V165-N168 WeakPolarHBondContact O-CB 3.11Å; V165-N168 PolarHBondContact O-N 3.23Å; V165-V170 HydrophobicContact CG1-CG2 4.05Å; V165-I173 HydrophobicContact CG1-CD1 4.22Å
166E96.7Very high94.3Very high85 Ų8541.4 Ų41.440%0.39724%0.24SC..THydrogen-bonded Turntrans-57.7138.7175.4-65.1-173.7152.900110.7L153 R155 W156 N168L153-E166 HydrophobicContact CD2-CB 4.46Å; L153-E166 HydrophobicContact CD2-CG 3.83Å; L153-E166 HydrophobicContact CG-CG 4.27Å; R155-E166 VanDerWaalsContact CA-OE1 3.27Å; R155-E166 WeakPolarHBondContact CA-OE1 3.33Å; W156-E166 HydrophobicContact CG-CG 4.3Å; W156-E166 PolarHBondContact N-OE1 2.89Å; E166-N168 PolarHBondContact O-N 3.44Å; E166-N168 PolarHBondContact O-ND2 3.07Å
167G97.3Very high94.6Very high55 Ų5541.5 Ų41.557%0.56724%0.241SC*.THydrogen-bonded Turntrans72.12-175.900000115I152 L153 V165I152-G167 VanDerWaalsContact CG2-C 3.48Å; L153-G167 PolarHBondContact O-N 2.61Å; V165-G167 PolarHBondContact O-N 3.1Å
168N98.1Very high95Very high79 Ų7941.4 Ų41.442%0.42224%0.24SC..SBendtrans-116157.7-179.1-66.3-88.2000112.5I152 L153 G164 V165 E166 V170 I173I152-N168 WeakPolarHBondContact CA-O 3.48Å; L153-N168 PolarHBondContact N-O 2.91Å; L153-N168 VanDerWaalsContact N-O 3.14Å; G164-N168 PolarHBondContact O-ND2 3.15Å; V165-N168 WeakPolarHBondContact O-CB 3.11Å; V165-N168 PolarHBondContact O-N 3.23Å; E166-N168 PolarHBondContact O-N 3.44Å; E166-N168 PolarHBondContact O-ND2 3.07Å; N168-V170 PolarHBondContact O-N 2.92Å; N168-I173 HydrophobicContact CB-CD1 3.76Å
169D98Very high95.8Very high26 Ų2644.8 Ų44.814%0.13926%0.259CS..BIsolated β-bridgetrans-77.4103.2-178.3-171.4-15.5000111.2A151 V171 K172 I173A151-D169 PolarHBondContact N-OD1 2.95Å; A151-D169 CarbonylContact O-C 3.45Å; A151-D169 VanDerWaalsContact O-CA 3.31Å; A151-D169 WeakPolarHBondContact O-CA 3.38Å; D169-V171 VanDerWaalsContact C-N 3.26Å; D169-V171 PolarHBondContact O-N 3.16Å; D169-V171 PolarHBondContact OD1-N 2.63Å; D169-K172 HydrophobicContact CB-CB 4.23Å; D169-K172 HydrophobicContact CB-CD 3.99Å; D169-K172 HydrophobicContact CB-CG 4.2Å; D169-K172 PolarHBondContact O-N 3.42Å; D169-K172 VanDerWaalsContact O-N 3.13Å; D169-K172 WeakPolarHBondContact OD2-CD 3.34Å; D169-K172 WeakPolarHBondContact OD2-CE 3.32Å; D169-K172 IonicContact OD2-NZ 2.68Å; D169-K172 PolarHBondContact OD2-NZ 3.36Å; D169-I173 WeakPolarHBondContact O-CG1 3.33Å; D169-I173 PolarHBondContact O-N 3.46Å
170V97.7Very high96.6Very high0 Ų049.4 Ų49.40%027%0.274CS..Hα-helixtrans-61.3-34.2-174.2171.80000112F112 F137 F139 A151 L153 V165 N168 K172 I173 L174 L190F112-V170 HydrophobicContact CE1-CG1 4.05Å; F112-V170 HydrophobicContact CZ-CG1 3.83Å; F137-V170 HydrophobicContact CD1-CG1 4.35Å; F137-V170 HydrophobicContact CE1-CG1 3.57Å; F137-V170 HydrophobicContact CZ-CG1 4.42Å; F139-V170 HydrophobicContact CD1-CG1 4.16Å; F139-V170 HydrophobicContact CD1-CG2 4.49Å; F139-V170 HydrophobicContact CD2-CG1 4.09Å; F139-V170 HydrophobicContact CE1-CB 4.48Å; F139-V170 HydrophobicContact CE1-CG1 4.09Å; F139-V170 HydrophobicContact CE1-CG2 3.82Å; F139-V170 HydrophobicContact CE2-CG1 4.05Å; F139-V170 HydrophobicContact CG-CG1 4.13Å; F139-V170 HydrophobicContact CZ-CG1 4.05Å; F139-V170 HydrophobicContact CZ-CG2 3.99Å; A151-V170 PolarHBondContact O-N 2.75Å; L153-V170 HydrophobicContact CB-CG2 3.78Å; V165-V170 HydrophobicContact CG1-CG2 4.05Å; N168-V170 PolarHBondContact O-N 2.92Å; V170-K172 PolarHBondContact O-N 2.79Å; V170-I173 PolarHBondContact O-N 2.88Å; V170-L174 PolarHBondContact O-N 3.45Å; V170-L190 HydrophobicContact CB-CD1 4.08Å; V170-L190 HydrophobicContact CG1-CD1 3.74Å
171V97.9Very high97Very high5 Ų553.6 Ų53.63%0.0329%0.292CS..Hα-helixtrans-64.3-43.1177.8175.70000110.5R149 A151 D169 Q175 V187 L190R149-V171 WeakPolarHBondContact O-CB 3.29Å; R149-V171 WeakPolarHBondContact O-CG1 3.46Å; A151-V171 HydrophobicContact CB-CG2 4.34Å; D169-V171 VanDerWaalsContact C-N 3.26Å; D169-V171 PolarHBondContact O-N 3.16Å; D169-V171 PolarHBondContact OD1-N 2.63Å; V171-Q175 VanDerWaalsContact O-CB 3.3Å; V171-Q175 WeakPolarHBondContact O-CB 3.18Å; V171-Q175 PolarHBondContact O-N 3.41Å; V171-V187 HydrophobicContact CG1-CB 3.92Å; V171-V187 HydrophobicContact CG1-CG1 3.76Å; V171-V187 HydrophobicContact CG2-CG1 4.48Å; V171-L190 HydrophobicContact CG2-CB 3.71Å; V171-L190 HydrophobicContact CG2-CD1 3.86Å; V171-L190 HydrophobicContact CG2-CG 4.43Å
172K98.1Very high97.4Very high141 Ų14158.3 Ų58.361%0.61331%0.308SS*.Hα-helixtrans-69.2-39.2178.1-69.1178.3-173.9139.30112.2D169 V170 Q175 K176D169-K172 HydrophobicContact CB-CB 4.23Å; D169-K172 HydrophobicContact CB-CD 3.99Å; D169-K172 HydrophobicContact CB-CG 4.2Å; D169-K172 PolarHBondContact O-N 3.42Å; D169-K172 VanDerWaalsContact O-N 3.13Å; D169-K172 WeakPolarHBondContact OD2-CD 3.34Å; D169-K172 WeakPolarHBondContact OD2-CE 3.32Å; D169-K172 IonicContact OD2-NZ 2.68Å; D169-K172 PolarHBondContact OD2-NZ 3.36Å; V170-K172 PolarHBondContact O-N 2.79Å; K172-Q175 PolarHBondContact O-N 2.92Å; K172-K176 WeakPolarHBondContact O-CB 3.47Å; K172-K176 PolarHBondContact O-N 2.89Å
173I98.1Very high97.6Very high37 Ų3758.9 Ų58.919%0.1931%0.311CS..Hα-helixtrans-61.9-49177.2-63166.8000109.8F112 V165 N168 D169 V170 K176 A177F112-I173 HydrophobicContact CB-CG2 4Å; F112-I173 HydrophobicContact CD1-CG2 4.23Å; F112-I173 HydrophobicContact CD2-CB 4.34Å; F112-I173 HydrophobicContact CD2-CG2 3.28Å; F112-I173 HydrophobicContact CE2-CB 4.43Å; F112-I173 HydrophobicContact CE2-CG2 3.76Å; F112-I173 HydrophobicContact CG-CG2 3.57Å; F112-I173 HydrophobicContact CZ-CG2 4.41Å; V165-I173 HydrophobicContact CG1-CD1 4.22Å; N168-I173 HydrophobicContact CB-CD1 3.76Å; D169-I173 WeakPolarHBondContact O-CG1 3.33Å; D169-I173 PolarHBondContact O-N 3.46Å; V170-I173 PolarHBondContact O-N 2.88Å; I173-K176 PolarHBondContact O-N 2.83Å; I173-A177 PolarHBondContact O-N 3.01Å
174L98.3Very high97.7Very high0 Ų060.5 Ų60.50%031%0.309CS..Hα-helixtrans-63.3-45.8177.1178.460.1000111.5F112 I115 L135 F137 V170 K176 A177 I178 V187F112-L174 HydrophobicContact CD1-CB 3.78Å; F112-L174 HydrophobicContact CD1-CD1 3.98Å; F112-L174 HydrophobicContact CD1-CG 4.44Å; F112-L174 HydrophobicContact CE1-CB 3.99Å; I115-L174 HydrophobicContact CB-CD1 4.43Å; I115-L174 HydrophobicContact CG2-CD1 3.77Å; L135-L174 HydrophobicContact CD2-CD2 4.08Å; F137-L174 HydrophobicContact CB-CD2 4.15Å; F137-L174 HydrophobicContact CD1-CD2 3.31Å; F137-L174 HydrophobicContact CD2-CD2 4.13Å; F137-L174 HydrophobicContact CE1-CB 4.27Å; F137-L174 HydrophobicContact CE1-CD2 3.56Å; F137-L174 HydrophobicContact CE1-CG 4.48Å; F137-L174 HydrophobicContact CE2-CD2 4.36Å; F137-L174 HydrophobicContact CG-CD2 3.61Å; F137-L174 HydrophobicContact CZ-CD2 4.09Å; V170-L174 PolarHBondContact O-N 3.45Å; L174-K176 VanDerWaalsContact C-N 3.27Å; L174-K176 PolarHBondContact O-N 3.23Å; L174-A177 PolarHBondContact O-N 3.49Å; L174-A177 VanDerWaalsContact O-N 3.08Å; L174-I178 HydrophobicContact CD1-CD1 4.2Å; L174-I178 HydrophobicContact CD1-CG1 4.21Å; L174-I178 HydrophobicContact CD2-CD1 4.45Å; L174-I178 HydrophobicContact CG-CD1 3.87Å; L174-I178 HydrophobicContact CG-CG1 4.33Å; L174-I178 VanDerWaalsContact O-CG1 3.3Å; L174-I178 WeakPolarHBondContact O-CG1 3.3Å; L174-I178 PolarHBondContact O-N 3.34Å; L174-V187 HydrophobicContact CB-CG2 4.46Å; L174-V187 HydrophobicContact CD2-CG2 3.98Å; L174-V187 HydrophobicContact CG-CG2 4.08Å
175Q98.4Very high97.8Very high30 Ų3058 Ų5814%0.1428%0.283CS..Hα-helixtrans-57.8-41.5178.3-172.565.165.100111.4V171 K172 A177 I178 D179 V185 V187V171-Q175 VanDerWaalsContact O-CB 3.3Å; V171-Q175 WeakPolarHBondContact O-CB 3.18Å; V171-Q175 PolarHBondContact O-N 3.41Å; K172-Q175 PolarHBondContact O-N 2.92Å; Q175-A177 VanDerWaalsContact C-N 3.34Å; Q175-A177 PolarHBondContact O-N 3.32Å; Q175-I178 WeakPolarHBondContact O-CB 3.44Å; Q175-I178 PolarHBondContact O-N 2.75Å; Q175-D179 PolarHBondContact NE2-OD1 3.42Å; Q175-D179 WeakPolarHBondContact O-CB 3.33Å; Q175-D179 PolarHBondContact O-N 3.15Å; Q175-V185 PolarHBondContact NE2-O 2.88Å; Q175-V187 HydrophobicContact CB-CG2 4.31Å
176K98.4Very high97.8Very high152 Ų15261.4 Ų61.466%0.66130%0.295SS*.Hα-helixtrans-60.3-42.1175.6-175.9-175.2176.2-169.50112.3K172 I173 L174 D179 K180K172-K176 WeakPolarHBondContact O-CB 3.47Å; K172-K176 PolarHBondContact O-N 2.89Å; I173-K176 PolarHBondContact O-N 2.83Å; L174-K176 VanDerWaalsContact C-N 3.27Å; L174-K176 PolarHBondContact O-N 3.23Å; K176-D179 PolarHBondContact O-N 3.29Å; K176-K180 WeakPolarHBondContact O-CB 3.36Å; K176-K180 PolarHBondContact O-N 2.85Å
177A98.3Very high97.9Very high4 Ų457.3 Ų57.33%0.03328%0.276CS..Hα-helixtrans-67.2-37.8177.400000112F112 A116 I173 L174 Q175 K180 K181F112-A177 HydrophobicContact CB-CB 4Å; F112-A177 WeakPolarHBondContact O-CB 3.48Å; A116-A177 HydrophobicContact CB-CB 3.88Å; A116-A177 WeakPolarHBondContact CB-O 3.3Å; I173-A177 PolarHBondContact O-N 3.01Å; L174-A177 PolarHBondContact O-N 3.49Å; L174-A177 VanDerWaalsContact O-N 3.08Å; Q175-A177 VanDerWaalsContact C-N 3.34Å; Q175-A177 PolarHBondContact O-N 3.32Å; A177-K180 PolarHBondContact O-N 3.3Å; A177-K181 PolarHBondContact O-N 2.92Å
178I98.3Very high97.9Very high0 Ų054.7 Ų54.70%025%0.249CC..Hα-helixtrans-61-48.8172.8-68173.3000110.8M119 L135 L174 Q175 K180 K181 K182 L183 V185 V187M119-I178 HydrophobicContact CE-CD1 3.7Å; M119-I178 HydrophobicContact CE-CG1 3.41Å; M119-I178 VanDerWaalsContact CE-CG1 3.41Å; M119-I178 HydrophobicContact SD-CD1 4.38Å; M119-I178 HydrophobicContact SD-CG1 4.44Å; L135-I178 HydrophobicContact CD2-CD1 3.82Å; L174-I178 HydrophobicContact CD1-CD1 4.2Å; L174-I178 HydrophobicContact CD1-CG1 4.21Å; L174-I178 HydrophobicContact CD2-CD1 4.45Å; L174-I178 HydrophobicContact CG-CD1 3.87Å; L174-I178 HydrophobicContact CG-CG1 4.33Å; L174-I178 VanDerWaalsContact O-CG1 3.3Å; L174-I178 WeakPolarHBondContact O-CG1 3.3Å; L174-I178 PolarHBondContact O-N 3.34Å; Q175-I178 WeakPolarHBondContact O-CB 3.44Å; Q175-I178 PolarHBondContact O-N 2.75Å; I178-K180 VanDerWaalsContact C-N 3.33Å; I178-K180 PolarHBondContact O-N 2.87Å; I178-K181 CarbonylContact O-C 3.23Å; I178-K181 WeakPolarHBondContact O-CA 3.24Å; I178-K181 WeakPolarHBondContact O-CB 3.3Å; I178-K181 PolarHBondContact O-N 3.04Å; I178-K182 PolarHBondContact O-N 3.44Å; I178-L183 HydrophobicContact CG2-CB 3.93Å; I178-L183 PolarHBondContact O-N 3.4Å; I178-V185 HydrophobicContact CD1-CG1 4.27Å; I178-V185 HydrophobicContact CG2-CB 3.89Å; I178-V185 WeakPolarHBondContact CG2-O 3.48Å; I178-V187 HydrophobicContact CD1-CG2 3.78Å
179D98.2Very high97.9Very high92 Ų9251 Ų5149%0.49223%0.229SC..Hα-helixtrans-64.2-38.2-178.8-63.3-14.7000111.3Q175 K176 K181 K182Q175-D179 PolarHBondContact NE2-OD1 3.42Å; Q175-D179 WeakPolarHBondContact O-CB 3.33Å; Q175-D179 PolarHBondContact O-N 3.15Å; K176-D179 PolarHBondContact O-N 3.29Å; D179-K181 PolarHBondContact O-N 2.9Å; D179-K182 WeakPolarHBondContact O-CA 3.25Å; D179-K182 PolarHBondContact O-N 2.98Å
180K97.9Very high97.9Very high116 Ų11649.8 Ų49.850%0.50422%0.223SC..Hα-helixtrans-58.5-33.2173.4-173-179.8-178.9-177.50112E109 D113 K176 A177 I178 K182E109-K180 IonicContact OE1-NZ 3.69Å; E109-K180 PolarHBondContact OE1-NZ 2.93Å; D113-K180 IonicContact OD1-NZ 3.65Å; D113-K180 IonicContact OD2-NZ 3.68Å; D113-K180 PolarHBondContact OD2-NZ 3.13Å; K176-K180 WeakPolarHBondContact O-CB 3.36Å; K176-K180 PolarHBondContact O-N 2.85Å; A177-K180 PolarHBondContact O-N 3.3Å; I178-K180 VanDerWaalsContact C-N 3.33Å; I178-K180 PolarHBondContact O-N 2.87Å; K180-K182 VanDerWaalsContact C-N 3.33Å
181K96.7Very high97.9Very high88 Ų8849.8 Ų49.838%0.38322%0.223SC..THydrogen-bonded Turntrans-85.1-1.3173.9-65.6-65.3-173170.90113.9A116 T117 A177 I178 D179 L183A116-K181 HydrophobicContact CB-CG 3.82Å; T117-K181 WeakPolarHBondContact OG1-CE 3.04Å; T117-K181 PolarHBondContact OG1-NZ 3.24Å; A177-K181 PolarHBondContact O-N 2.92Å; I178-K181 CarbonylContact O-C 3.23Å; I178-K181 WeakPolarHBondContact O-CA 3.24Å; I178-K181 WeakPolarHBondContact O-CB 3.3Å; I178-K181 PolarHBondContact O-N 3.04Å; D179-K181 PolarHBondContact O-N 2.9Å; K181-L183 HydrophobicContact CB-CD1 4.14Å; K181-L183 HydrophobicContact CB-CG 3.84Å; K181-L183 PolarHBondContact O-N 3.5Å
182K96.8Very high97.9Very high187 Ų18749.7 Ų49.781%0.81322%0.222SC*.THydrogen-bonded Turntrans57.727.7-179.1-53.6179.6-179.5178.20113.9I178 D179 K180I178-K182 PolarHBondContact O-N 3.44Å; D179-K182 WeakPolarHBondContact O-CA 3.25Å; D179-K182 PolarHBondContact O-N 2.98Å; K180-K182 VanDerWaalsContact C-N 3.33Å
183L97.6Very high97.8Very high12 Ų1243.6 Ų43.66%0.06320%0.197CC..  trans-77138.6177.1-55.7176000109.4M119 A120 L123 L129 I178 K181 V185M119-L183 HydrophobicContact CB-CD1 4.42Å; M119-L183 HydrophobicContact CE-CD1 4.32Å; M119-L183 HydrophobicContact CG-CD1 3.89Å; M119-L183 HydrophobicContact SD-CD1 4.21Å; A120-L183 HydrophobicContact CB-CD1 4.14Å; A120-L183 HydrophobicContact CB-CD2 3.91Å; L123-L183 HydrophobicContact CD1-CD1 4.28Å; L123-L183 HydrophobicContact CD1-CD2 4.26Å; L129-L183 HydrophobicContact CD2-CD2 3.75Å; I178-L183 HydrophobicContact CG2-CB 3.93Å; I178-L183 PolarHBondContact O-N 3.4Å; K181-L183 HydrophobicContact CB-CD1 4.14Å; K181-L183 HydrophobicContact CB-CG 3.84Å; K181-L183 PolarHBondContact O-N 3.5Å; L183-V185 HydrophobicContact CB-CB 4.44Å; L183-V185 HydrophobicContact CB-CG2 4.13Å; L183-V185 PolarHBondContact O-N 2.9Å
184K97.5Very high97.7Very high102 Ų10241.9 Ų41.944%0.44319%0.188SC..  trans-80.349.4175-60.5-175.4-161.7150.70111.6D130 Q132 M133D130-K184 WeakPolarHBondContact O-CD 3.49Å; D130-K184 PolarHBondContact O-NZ 2.89Å; D130-K184 IonicContact OD1-NZ 3.76Å; D130-K184 PolarHBondContact OD1-NZ 2.75Å; Q132-K184 CarbonylContact C-O 3.6Å; Q132-K184 VanDerWaalsContact CA-O 3.27Å; Q132-K184 WeakPolarHBondContact CA-O 3.41Å; M133-K184 PolarHBondContact N-O 2.93Å
185V98.3Very high97.7Very high7 Ų741.9 Ų41.94%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-114132.7-177.2179.30000109.7L68 M119 L123 M133 L135 Q175 I178 L183L68-V185 HydrophobicContact CD2-CG1 4.1Å; L68-V185 HydrophobicContact CD2-CG2 4.2Å; M119-V185 HydrophobicContact SD-CB 4.39Å; M119-V185 HydrophobicContact SD-CG1 4.04Å; M119-V185 HydrophobicContact SD-CG2 4.27Å; L123-V185 HydrophobicContact CD1-CG2 3.79Å; M133-V185 WeakPolarHBondContact O-CA 3.43Å; L135-V185 HydrophobicContact CB-CG1 3.54Å; L135-V185 HydrophobicContact CD2-CG1 4Å; L135-V185 HydrophobicContact CG-CG1 4.36Å; Q175-V185 PolarHBondContact NE2-O 2.88Å; I178-V185 HydrophobicContact CD1-CG1 4.27Å; I178-V185 HydrophobicContact CG2-CB 3.89Å; I178-V185 WeakPolarHBondContact CG2-O 3.48Å; L183-V185 HydrophobicContact CB-CB 4.44Å; L183-V185 HydrophobicContact CB-CG2 4.13Å; L183-V185 PolarHBondContact O-N 2.9Å
186R97.8Very high97.7Very high71 Ų7140.4 Ų40.427%0.26818%0.181SC..EExtended strand (participates in β ladder)trans-114.4124.4176.9-174-178.771.1131.7-0.5109.1M133 D134 L135 R149 A188 S452M133-R186 PolarHBondContact O-N 3.08Å; D134-R186 IonicContact OD1-CZ 2.95Å; D134-R186 VanDerWaalsContact OD1-CZ 3.3Å; D134-R186 IonicContact OD1-NE 2.87Å; D134-R186 PolarHBondContact OD1-NE 3.06Å; D134-R186 IonicContact OD1-NH2 3.18Å; D134-R186 PolarHBondContact OD1-NH2 3.29Å; D134-R186 IonicContact OD2-NH2 2.93Å; L135-R186 PolarHBondContact N-O 3.43Å; R149-R186 VanDerWaalsContact NH1-CD 3.27Å; R149-R186 VanDerWaalsContact NH1-CZ 3.33Å; R186-A188 PolarHBondContact O-N 3.35Å; R186-S452 VanDerWaalsContact NH1-C 3.28Å; R186-S452 PolarHBondContact NH1-O 3.16Å; R186-S452 VanDerWaalsContact NH1-O 3.16Å; R186-S452 PolarHBondContact NH1-OXT 3.2Å; R186-S452 PolarHBondContact NH2-OG 2.95Å
187V98.1Very high97.6Very high0 Ų033.2 Ų33.20%015%0.149CC..EExtended strand (participates in β ladder)trans-67.1105.3171.1-171.20000108.1L135 F137 R149 V171 L174 Q175 I178L135-V187 HydrophobicContact CD2-CG2 4.15Å; F137-V187 HydrophobicContact CB-CG1 4.28Å; R149-V187 PolarHBondContact NE-O 3.32Å; R149-V187 PolarHBondContact NH1-O 2.58Å; R149-V187 PolarHBondContact NH2-O 3.17Å; R149-V187 VanDerWaalsContact NH2-O 3.15Å; V171-V187 HydrophobicContact CG1-CB 3.92Å; V171-V187 HydrophobicContact CG1-CG1 3.76Å; V171-V187 HydrophobicContact CG2-CG1 4.48Å; L174-V187 HydrophobicContact CB-CG2 4.46Å; L174-V187 HydrophobicContact CD2-CG2 3.98Å; L174-V187 HydrophobicContact CG-CG2 4.08Å; Q175-V187 HydrophobicContact CB-CG2 4.31Å; I178-V187 HydrophobicContact CD1-CG2 3.78Å
188A97.9Very high97.6Very high0 Ų033 Ų330%015%0.148CC..EExtended strand (participates in β ladder)trans-91.8-31.7-17500000112.1D134 L135 R149 R186 A443D134-A188 HydrophobicContact CB-CB 3.78Å; L135-A188 PolarHBondContact O-N 3.48Å; R149-A188 VanDerWaalsContact CG-O 3.27Å; R149-A188 WeakPolarHBondContact CG-O 3.39Å; R186-A188 PolarHBondContact O-N 3.35Å; A188-A443 HydrophobicContact CB-CB 4.33Å
189A98.1Very high97.6Very high0 Ų033 Ų330%015%0.148CC..EExtended strand (participates in β ladder)trans-150.9144.3176.900000111.9L135 G136 F137 L148 V442L135-A189 PolarHBondContact O-N 3.49Å; G136-A189 CarbonylContact C-O 3.19Å; F137-A189 PolarHBondContact N-O 2.92Å; L148-A189 HydrophobicContact CB-CB 4.16Å; L148-A189 HydrophobicContact CD2-CB 4.41Å; L148-A189 CarbonylContact O-C 3.55Å; L148-A189 VanDerWaalsContact O-CA 3.25Å; L148-A189 WeakPolarHBondContact O-CA 3.44Å; A189-V442 HydrophobicContact CB-CG1 3.67Å
190L97.9Very high97.5Very high1 Ų129 Ų291%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-114.1140.4163.7179.9150.5000109.4F137 F139 Q145 L148 A151 V170 V171F137-L190 HydrophobicContact CD1-CD1 3.86Å; F137-L190 HydrophobicContact CD1-CG 4.49Å; F137-L190 HydrophobicContact CE1-CD1 4.26Å; F137-L190 WeakPolarHBondContact O-CA 3.36Å; F139-L190 HydrophobicContact CB-CD1 3.92Å; F139-L190 HydrophobicContact CB-CD2 4.44Å; F139-L190 HydrophobicContact CB-CG 4.09Å; F139-L190 HydrophobicContact CD1-CD1 4.45Å; F139-L190 HydrophobicContact CG-CD1 4.36Å; Q145-L190 HydrophobicContact CG-CD2 4.35Å; Q145-L190 PolarHBondContact NE2-O 3.35Å; L148-L190 PolarHBondContact O-N 3.22Å; A151-L190 HydrophobicContact CB-CD1 3.92Å; A151-L190 HydrophobicContact CB-CD2 3.66Å; A151-L190 HydrophobicContact CB-CG 4.27Å; V170-L190 HydrophobicContact CB-CD1 4.08Å; V170-L190 HydrophobicContact CG1-CD1 3.74Å; V171-L190 HydrophobicContact CG2-CB 3.71Å; V171-L190 HydrophobicContact CG2-CD1 3.86Å; V171-L190 HydrophobicContact CG2-CG 4.43Å
191M97.6Very high97.4Very high0 Ų023.5 Ų23.50%010%0.104CC..EExtended strand (participates in β ladder)trans-151.2163.6174.267.1-104.492.200111.8F137 T138 F139 V195 A439 V442F137-M191 WeakPolarHBondContact O-CE 3.35Å; F137-M191 PolarHBondContact O-N 2.99Å; F137-M191 VanDerWaalsContact O-N 3.15Å; T138-M191 WeakPolarHBondContact CA-O 3.44Å; F139-M191 PolarHBondContact N-O 3.46Å; M191-V195 HydrophobicContact CB-CB 4.05Å; M191-V195 HydrophobicContact CB-CG1 4Å; M191-V195 HydrophobicContact CG-CB 4.35Å; M191-V195 HydrophobicContact CG-CG1 4.36Å; M191-A439 HydrophobicContact CE-CB 3.66Å; M191-A439 HydrophobicContact SD-CB 4.04Å; M191-V442 HydrophobicContact SD-CB 3.56Å; M191-V442 VanDerWaalsContact SD-CB 3.56Å; M191-V442 HydrophobicContact SD-CG1 3.75Å; M191-V442 HydrophobicContact SD-CG2 3.73Å
192N97Very high97.3Very high3 Ų319.4 Ų19.42%0.0169%0.086CC..  trans-73156.2168.7-177.9-83.2000111.3T194 V195 G196 D245N192-T194 VanDerWaalsContact C-N 3.28Å; N192-T194 PolarHBondContact O-N 2.93Å; N192-T194 VanDerWaalsContact OD1-CB 3.3Å; N192-T194 WeakPolarHBondContact OD1-CB 3.33Å; N192-T194 VanDerWaalsContact OD1-CG2 3.29Å; N192-T194 WeakPolarHBondContact OD1-CG2 3.15Å; N192-T194 PolarHBondContact OD1-N 3.36Å; N192-T194 PolarHBondContact OD1-OG1 3.22Å; N192-V195 HydrophobicContact CB-CG2 4.23Å; N192-V195 WeakPolarHBondContact O-CB 3.38Å; N192-V195 PolarHBondContact O-N 2.92Å; N192-V195 VanDerWaalsContact O-N 3.16Å; N192-G196 PolarHBondContact O-N 3.5Å; N192-G196 VanDerWaalsContact O-N 3.13Å; N192-D245 HydrophobicContact CB-CB 4.33Å; N192-D245 VanDerWaalsContact CB-OD2 3.3Å; N192-D245 WeakPolarHBondContact CB-OD2 3.33Å; N192-D245 PolarHBondContact ND2-OD2 3.1Å
193D96.2Very high97.2Very high14 Ų1413.1 Ų13.18%0.0756%0.059CC..Hα-helixtrans-62.4-32179.550.7-10.5000113.2T138 S140 K158 G196 T197 I213T138-D193 VanDerWaalsContact CG2-CA 3.5Å; T138-D193 HydrophobicContact CG2-CB 3.7Å; S140-D193 VanDerWaalsContact CB-CG 3.46Å; S140-D193 WeakPolarHBondContact CB-OD2 3.1Å; S140-D193 WeakPolarHBondContact OG-CB 3.47Å; S140-D193 PolarHBondContact OG-OD2 3.24Å; K158-D193 IonicContact NZ-OD2 2.84Å; D193-G196 PolarHBondContact O-N 2.71Å; D193-T197 WeakPolarHBondContact O-CB 3.45Å; D193-T197 PolarHBondContact O-N 2.89Å; D193-T197 PolarHBondContact O-OG1 3.25Å; D193-I213 HydrophobicContact CB-CD1 4.29Å; D193-I213 HydrophobicContact CB-CG1 4.12Å
194T97.6Very high97Very high0 Ų018.5 Ų18.50%09%0.085CC..Hα-helixtrans-63.6-43172.962.50000111.9N192 T197 Q198 I213 N219 S221N192-T194 VanDerWaalsContact C-N 3.28Å; N192-T194 PolarHBondContact O-N 2.93Å; N192-T194 VanDerWaalsContact OD1-CB 3.3Å; N192-T194 WeakPolarHBondContact OD1-CB 3.33Å; N192-T194 VanDerWaalsContact OD1-CG2 3.29Å; N192-T194 WeakPolarHBondContact OD1-CG2 3.15Å; N192-T194 PolarHBondContact OD1-N 3.36Å; N192-T194 PolarHBondContact OD1-OG1 3.22Å; T194-T197 WeakPolarHBondContact O-CB 3.43Å; T194-T197 PolarHBondContact O-N 3.29Å; T194-Q198 PolarHBondContact O-N 3.39Å; T194-I213 HydrophobicContact CG2-CB 4.03Å; T194-I213 HydrophobicContact CG2-CG1 3.64Å; T194-N219 HydrophobicContact CG2-CB 3.59Å; T194-N219 WeakPolarHBondContact CG2-O 3.23Å; T194-S221 PolarHBondContact O-OG 2.67Å; T194-S221 VanDerWaalsContact O-OG 3.07Å; T194-S221 WeakPolarHBondContact OG1-CB 3.27Å; T194-S221 PolarHBondContact OG1-OG 3.37Å
195V98Very high96.7Very high0 Ų018 Ų180%09%0.085CC..Hα-helixtrans-63.7-45.4177.9178.10000110.1V55 M191 N192 T197 Q198 V199 S221 I243 D245V55-V195 HydrophobicContact CB-CG1 4.45Å; V55-V195 HydrophobicContact CG2-CG1 3.9Å; M191-V195 HydrophobicContact CB-CB 4.05Å; M191-V195 HydrophobicContact CB-CG1 4Å; M191-V195 HydrophobicContact CG-CB 4.35Å; M191-V195 HydrophobicContact CG-CG1 4.36Å; N192-V195 HydrophobicContact CB-CG2 4.23Å; N192-V195 WeakPolarHBondContact O-CB 3.38Å; N192-V195 PolarHBondContact O-N 2.92Å; N192-V195 VanDerWaalsContact O-N 3.16Å; V195-T197 VanDerWaalsContact C-N 3.32Å; V195-T197 PolarHBondContact O-N 3.03Å; V195-Q198 PolarHBondContact O-N 2.79Å; V195-V199 WeakPolarHBondContact O-CB 3.35Å; V195-V199 WeakPolarHBondContact O-CG2 3.43Å; V195-V199 PolarHBondContact O-N 3.46Å; V195-S221 WeakPolarHBondContact CA-OG 3.44Å; V195-S221 PolarHBondContact N-OG 2.74Å; V195-S221 VanDerWaalsContact N-OG 3.15Å; V195-I243 HydrophobicContact CB-CG2 4.37Å; V195-I243 HydrophobicContact CG1-CB 4.45Å; V195-I243 HydrophobicContact CG1-CD1 4.16Å; V195-I243 HydrophobicContact CG1-CG2 4.03Å; V195-I243 HydrophobicContact CG2-CG2 3.86Å; V195-D245 HydrophobicContact CG2-CB 4.47Å
196G97.5Very high96.4Very high0 Ų020.8 Ų20.80%012%0.115CC..Hα-helixtrans-57.1-47.4173.300000111.5N192 D193 Q198 V199 A200 G434 G438N192-G196 PolarHBondContact O-N 3.5Å; N192-G196 VanDerWaalsContact O-N 3.13Å; D193-G196 PolarHBondContact O-N 2.71Å; G196-Q198 PolarHBondContact O-N 2.71Å; G196-V199 PolarHBondContact O-N 2.91Å; G196-A200 WeakPolarHBondContact O-CB 3.35Å; G196-A200 PolarHBondContact O-N 2.75Å; G196-G434 CarbonylContact C-O 3.53Å; G196-G434 VanDerWaalsContact C-O 3.26Å; G196-G434 VanDerWaalsContact O-O 3.06Å; G196-G438 VanDerWaalsContact O-CA 3.23Å; G196-G438 WeakPolarHBondContact O-CA 3.4Å
197T97.6Very high96.2Very high0 Ų021.4 Ų21.40%012%0.121CC..Hα-helixtrans-60.1-42.7177.9-60.10000112.7D193 T194 V195 T201 I213 D396 A431D193-T197 WeakPolarHBondContact O-CB 3.45Å; D193-T197 PolarHBondContact O-N 2.89Å; D193-T197 PolarHBondContact O-OG1 3.25Å; T194-T197 WeakPolarHBondContact O-CB 3.43Å; T194-T197 PolarHBondContact O-N 3.29Å; V195-T197 VanDerWaalsContact C-N 3.32Å; V195-T197 PolarHBondContact O-N 3.03Å; T197-T201 WeakPolarHBondContact O-CB 3.13Å; T197-T201 PolarHBondContact O-N 3.03Å; T197-T201 PolarHBondContact O-OG1 3.36Å; T197-I213 VanDerWaalsContact OG1-CD1 3.25Å; T197-I213 WeakPolarHBondContact OG1-CD1 3.49Å; T197-D396 HydrophobicContact CG2-CB 3.92Å; T197-A431 HydrophobicContact CG2-CB 3.8Å
198Q97.9Very high96Very high0 Ų021.6 Ų21.60%012%0.122CC..Hα-helixtrans-61.4-49.1176.1-165.6-176.93.700111.2L58 T194 V195 G196 T201 A202 C208 A209 S221 I243L58-Q198 HydrophobicContact CD2-CG 3.96Å; T194-Q198 PolarHBondContact O-N 3.39Å; V195-Q198 PolarHBondContact O-N 2.79Å; G196-Q198 PolarHBondContact O-N 2.71Å; Q198-T201 PolarHBondContact O-N 3.4Å; Q198-A202 WeakPolarHBondContact O-CB 3.48Å; Q198-A202 PolarHBondContact O-N 3.4Å; Q198-C208 HydrophobicContact CG-CB 4.13Å; Q198-C208 PolarHBondContact NE2-O 3.35Å; Q198-C208 WeakPolarHBondContact O-CB 3.17Å; Q198-A209 PolarHBondContact NE2-O 3.22Å; Q198-S221 PolarHBondContact OE1-O 2.89Å; Q198-I243 VanDerWaalsContact OE1-CG2 3.22Å
199V97.5Very high95.9Very high0 Ų022.2 Ų22.20%013%0.127CC..Hα-helixtrans-64-46.1-178.11660000111.7L58 P59 V195 G196 T201 A202 H203 I243 L441 V442 I445L58-V199 HydrophobicContact CD2-CG2 4.24Å; P59-V199 HydrophobicContact CG-CG1 4.15Å; P59-V199 WeakPolarHBondContact CG-O 3.32Å; V195-V199 WeakPolarHBondContact O-CB 3.35Å; V195-V199 WeakPolarHBondContact O-CG2 3.43Å; V195-V199 PolarHBondContact O-N 3.46Å; G196-V199 PolarHBondContact O-N 2.91Å; V199-T201 PolarHBondContact O-N 3.18Å; V199-A202 PolarHBondContact O-N 3.1Å; V199-H203 PolarHBondContact O-N 3.06Å; V199-I243 HydrophobicContact CG2-CD1 3.82Å; V199-L441 HydrophobicContact CG1-CB 3.47Å; V199-L441 VanDerWaalsContact CG1-CB 3.47Å; V199-L441 HydrophobicContact CG1-CD1 4.1Å; V199-L441 HydrophobicContact CG1-CG 4.41Å; V199-V442 HydrophobicContact CB-CG2 4.28Å; V199-V442 HydrophobicContact CG1-CG2 4.09Å; V199-V442 HydrophobicContact CG2-CG2 3.86Å; V199-I445 HydrophobicContact CG1-CD1 4.47Å
200A96Very high95.9Very high7 Ų722.2 Ų22.26%0.05813%0.127CC..Hα-helixtrans-62.9-43.7177.900000112G196 A202 H203 E204 G434 K437G196-A200 WeakPolarHBondContact O-CB 3.35Å; G196-A200 PolarHBondContact O-N 2.75Å; A200-A202 VanDerWaalsContact C-N 3.32Å; A200-A202 PolarHBondContact O-N 3.01Å; A200-H203 PolarHBondContact O-N 2.96Å; A200-E204 PolarHBondContact O-N 3.44Å; A200-G434 WeakPolarHBondContact CB-O 3.08Å; A200-K437 HydrophobicContact CB-CB 4.08Å
201T96.1Very high95.9Very high2 Ų222.1 Ų22.11%0.01213%0.127CC..Hα-helixtrans-63.7-40.5176.8-540000111T197 Q198 V199 H203 E204 M205 C208 I392 V429 A431T197-T201 WeakPolarHBondContact O-CB 3.13Å; T197-T201 PolarHBondContact O-N 3.03Å; T197-T201 PolarHBondContact O-OG1 3.36Å; Q198-T201 PolarHBondContact O-N 3.4Å; V199-T201 PolarHBondContact O-N 3.18Å; T201-H203 VanDerWaalsContact C-N 3.34Å; T201-H203 PolarHBondContact O-N 3.12Å; T201-E204 PolarHBondContact O-N 3.14Å; T201-M205 HydrophobicContact CG2-CG 4.17Å; T201-M205 VanDerWaalsContact O-CB 3.31Å; T201-M205 WeakPolarHBondContact O-CB 3.37Å; T201-M205 WeakPolarHBondContact O-CG 3.5Å; T201-M205 PolarHBondContact O-N 2.93Å; T201-C208 HydrophobicContact CG2-CB 3.97Å; T201-I392 HydrophobicContact CG2-CG2 3.78Å; T201-V429 HydrophobicContact CG2-CG2 3.65Å; T201-A431 WeakPolarHBondContact OG1-CB 3.32Å
202A95.4Very high95.9Very high2 Ų222.1 Ų22.12%0.01713%0.127CC..Hα-helixtrans-64-38.7176.800000112.4L58 P59 Q198 V199 A200 G206 Q207 C208L58-A202 HydrophobicContact CB-CB 3.98Å; L58-A202 HydrophobicContact CD1-CB 4.03Å; L58-A202 HydrophobicContact CD2-CB 3.92Å; L58-A202 HydrophobicContact CG-CB 4.19Å; P59-A202 HydrophobicContact CG-CB 4.17Å; Q198-A202 WeakPolarHBondContact O-CB 3.48Å; Q198-A202 PolarHBondContact O-N 3.4Å; V199-A202 PolarHBondContact O-N 3.1Å; A200-A202 VanDerWaalsContact C-N 3.32Å; A200-A202 PolarHBondContact O-N 3.01Å; A202-G206 CarbonylContact O-C 3.53Å; A202-G206 VanDerWaalsContact O-C 3.31Å; A202-G206 WeakPolarHBondContact O-CA 3.44Å; A202-G206 PolarHBondContact O-N 3.14Å; A202-Q207 PolarHBondContact O-N 3.19Å; A202-C208 HydrophobicContact CB-CB 3.76Å
203H94.5Very high96Very high54 Ų5422.3 Ų22.325%0.2513%0.128CC..Hα-helixtrans-65.3-42.9175.8-179.7-90.4000112P59 S90 V199 A200 T201 L441P59-H203 HydrophobicContact CB-CB 4.26Å; P59-H203 HydrophobicContact CG-CB 3.66Å; S90-H203 PolarHBondContact OG-CE1 2.96Å; V199-H203 PolarHBondContact O-N 3.06Å; A200-H203 PolarHBondContact O-N 2.96Å; T201-H203 VanDerWaalsContact C-N 3.34Å; T201-H203 PolarHBondContact O-N 3.12Å; H203-L441 HydrophobicContact CB-CD1 3.6Å; H203-L441 HydrophobicContact CB-CD2 4.22Å; H203-L441 VanDerWaalsContact CD2-CD2 3.41Å; H203-L441 WeakPolarHBondContact CD2-CD2 3.24Å
204E92.6Very high96Very high126 Ų12621.6 Ų21.659%0.58912%0.124SC*.Hα-helixtrans-73.2-38.7-178.4-172.8173.8173.600112.7A200 T201A200-E204 PolarHBondContact O-N 3.44Å; T201-E204 PolarHBondContact O-N 3.14Å
205M92.1Very high95.8Very high91 Ų9122.4 Ų22.445%0.44813%0.131SC..Hα-helixtrans-105.8-1.2-171.7-56.7-63-66.400114T201 Q207 I392 V429T201-M205 HydrophobicContact CG2-CG 4.17Å; T201-M205 VanDerWaalsContact O-CB 3.31Å; T201-M205 WeakPolarHBondContact O-CB 3.37Å; T201-M205 WeakPolarHBondContact O-CG 3.5Å; T201-M205 PolarHBondContact O-N 2.93Å; M205-Q207 PolarHBondContact O-N 2.94Å; M205-I392 HydrophobicContact CB-CD1 3.51Å; M205-I392 HydrophobicContact CE-CD1 4.01Å; M205-I392 HydrophobicContact CG-CD1 4.16Å; M205-V429 HydrophobicContact CE-CG1 4.46Å
206G91.5Very high95.6Very high66 Ų6623.8 Ų23.868%0.6814%0.139SC*.SBendtrans74.1-5-174.600000115.2A202A202-G206 CarbonylContact O-C 3.53Å; A202-G206 VanDerWaalsContact O-C 3.31Å; A202-G206 WeakPolarHBondContact O-CA 3.44Å; A202-G206 PolarHBondContact O-N 3.14Å
207Q92.4Very high95.5Very high84 Ų8423.9 Ų23.939%0.39314%0.14SC..  trans-163.6150.517653.4169.2-2000111.2A202 M205 K390 I392A202-Q207 PolarHBondContact O-N 3.19Å; M205-Q207 PolarHBondContact O-N 2.94Å; Q207-K390 VanDerWaalsContact CD-O 3.31Å; Q207-K390 PolarHBondContact NE2-O 2.9Å; Q207-K390 PolarHBondContact OE1-O 3.18Å; Q207-I392 HydrophobicContact CG-CD1 3.82Å; Q207-I392 HydrophobicContact CG-CG1 4.12Å
208C95.7Very high95.5Very high3 Ų324 Ų242%0.0214%0.14CC..  trans-157.5114.3168.8-173.10000110.1L58 Q198 T201 A202 L210 I392L58-C208 WeakPolarHBondContact CD1-O 3.46Å; Q198-C208 HydrophobicContact CG-CB 4.13Å; Q198-C208 PolarHBondContact NE2-O 3.35Å; Q198-C208 WeakPolarHBondContact O-CB 3.17Å; T201-C208 HydrophobicContact CG2-CB 3.97Å; A202-C208 HydrophobicContact CB-CB 3.76Å; C208-L210 PolarHBondContact SG-O 3.46Å; C208-I392 CarbonylContact C-O 3.54Å
209A94.9Very high95.5Very high13 Ų1324.2 Ų24.211%0.10714%0.142CC..SBendtrans-79.3-29.6-177.900000112.4Q198 Y222 I386 V391 I392Q198-A209 PolarHBondContact NE2-O 3.22Å; A209-Y222 VanDerWaalsContact O-CB 3.31Å; A209-Y222 WeakPolarHBondContact O-CB 3.46Å; A209-I386 HydrophobicContact CB-CD1 4.15Å; A209-I386 WeakPolarHBondContact O-CD1 3.48Å; A209-V391 HydrophobicContact CB-CB 3.61Å; A209-V391 HydrophobicContact CB-CG1 3.7Å; A209-I392 PolarHBondContact N-O 3.27Å
210L97.5Very high95.5Very high0 Ų024.2 Ų24.20%014%0.142CC..EExtended strand (participates in β ladder)trans-146.6121.9-172.6-177.269000110.1C208 V212 A220 S221 I379 V382 V393 G394C208-L210 PolarHBondContact SG-O 3.46Å; L210-V212 HydrophobicContact CD2-CG2 3.77Å; L210-V212 HydrophobicContact CG-CG2 3.7Å; L210-A220 HydrophobicContact CD1-CB 3.82Å; L210-A220 HydrophobicContact CG-CB 4.48Å; L210-S221 CarbonylContact C-O 3.58Å; L210-S221 WeakPolarHBondContact CA-O 3.47Å; L210-S221 WeakPolarHBondContact CD1-O 3.2Å; L210-I379 HydrophobicContact CD2-CB 4.41Å; L210-I379 HydrophobicContact CD2-CG1 4.36Å; L210-I379 HydrophobicContact CD2-CG2 3.95Å; L210-V382 HydrophobicContact CD1-CB 4.05Å; L210-V382 HydrophobicContact CD1-CG1 3.54Å; L210-V382 HydrophobicContact CD2-CB 4.3Å; L210-V393 HydrophobicContact CB-CB 4.48Å; L210-V393 HydrophobicContact CB-CG1 4.05Å; L210-V393 HydrophobicContact CB-CG2 4.18Å; L210-V393 HydrophobicContact CD2-CG1 3.86Å; L210-V393 HydrophobicContact CD2-CG2 4.33Å; L210-V393 HydrophobicContact CG-CG1 4.1Å; L210-V393 CarbonylContact O-C 3.6Å; L210-V393 WeakPolarHBondContact O-CA 3.42Å; L210-G394 PolarHBondContact O-N 3.38Å
211G98.1Very high95.6Very high0 Ų023.9 Ų23.90%014%0.139CC..EExtended strand (participates in β ladder)trans-95128.8166.600000109.9A220 S221 G394G211-A220 CarbonylContact O-C 3.56Å; G211-A220 WeakPolarHBondContact O-CA 3.29Å; G211-A220 VanDerWaalsContact O-CB 3.26Å; G211-A220 WeakPolarHBondContact O-CB 3.29Å; G211-S221 PolarHBondContact N-O 3.48Å; G211-S221 PolarHBondContact O-N 2.83Å; G211-G394 CarbonylContact C-O 3.18Å; G211-G394 WeakPolarHBondContact CA-O 3.42Å
212V98.5Very high95.7Very high0 Ų023.9 Ų23.90%014%0.139CC..EExtended strand (participates in β ladder)trans-126.7137.5-177.1-174.80000109.6L210 V214 N219 A220 W248 I379 V393 G394 I395 D396L210-V212 HydrophobicContact CD2-CG2 3.77Å; L210-V212 HydrophobicContact CG-CG2 3.7Å; V212-V214 HydrophobicContact CG1-CG2 4Å; V212-N219 WeakPolarHBondContact CA-O 3.49Å; V212-A220 HydrophobicContact CG2-CB 4.1Å; V212-W248 HydrophobicContact CG1-CH2 4.16Å; V212-W248 HydrophobicContact CG1-CZ2 3.85Å; V212-W248 HydrophobicContact CG2-CH2 4.28Å; V212-I379 HydrophobicContact CG1-CD1 4.32Å; V212-I379 HydrophobicContact CG1-CG1 4.48Å; V212-I379 HydrophobicContact CG2-CD1 4.3Å; V212-I379 HydrophobicContact CG2-CG1 4.08Å; V212-V393 HydrophobicContact CG2-CG1 3.71Å; V212-G394 PolarHBondContact N-O 3.3Å; V212-I395 HydrophobicContact CB-CB 4.36Å; V212-I395 HydrophobicContact CB-CG1 4.02Å; V212-I395 HydrophobicContact CB-CG2 4.11Å; V212-I395 HydrophobicContact CG1-CG2 4.2Å; V212-I395 HydrophobicContact CG2-CG1 4.3Å; V212-I395 WeakPolarHBondContact O-CA 3.18Å; V212-D396 PolarHBondContact O-N 2.91Å
213I97.4Very high95.8Very high6 Ų625.7 Ų25.73%0.03115%0.148CC..EExtended strand (participates in β ladder)trans-112.6129.3169.4-64.7-62.7000108.6D193 T194 T197 A215 T218 N219 D396D193-I213 HydrophobicContact CB-CD1 4.29Å; D193-I213 HydrophobicContact CB-CG1 4.12Å; T194-I213 HydrophobicContact CG2-CB 4.03Å; T194-I213 HydrophobicContact CG2-CG1 3.64Å; T197-I213 VanDerWaalsContact OG1-CD1 3.25Å; T197-I213 WeakPolarHBondContact OG1-CD1 3.49Å; I213-A215 HydrophobicContact CG2-CB 3.98Å; I213-T218 WeakPolarHBondContact O-CA 3.38Å; I213-T218 PolarHBondContact O-OG1 2.93Å; I213-N219 PolarHBondContact N-O 3.37Å; I213-N219 PolarHBondContact O-N 3.38Å; I213-D396 CarbonylContact C-O 3.54Å; I213-D396 WeakPolarHBondContact CA-O 3.35Å; I213-D396 HydrophobicContact CD1-CB 3.89Å
214V97.1Very high96Very high0 Ų023.5 Ų23.50%014%0.138CC..EExtended strand (participates in β ladder)trans-131.392.7165.7-1660000108.7V212 V284 I395 D396 G397 T399 Y400 F406V212-V214 HydrophobicContact CG1-CG2 4Å; V214-V284 HydrophobicContact CG1-CG1 4.34Å; V214-I395 HydrophobicContact CG2-CG2 4.31Å; V214-D396 PolarHBondContact N-O 3.31Å; V214-G397 CarbonylContact O-C 3.5Å; V214-G397 VanDerWaalsContact O-C 3.23Å; V214-G397 VanDerWaalsContact O-CA 3.3Å; V214-G397 WeakPolarHBondContact O-CA 3.44Å; V214-T399 HydrophobicContact CG1-CG2 4.17Å; V214-T399 WeakPolarHBondContact O-CB 3.35Å; V214-T399 PolarHBondContact O-N 3.33Å; V214-Y400 PolarHBondContact O-N 3.35Å; V214-Y400 VanDerWaalsContact O-N 3.16Å; V214-F406 HydrophobicContact CG1-CE1 4.08Å; V214-F406 HydrophobicContact CG1-CZ 3.96Å
215A94.2Very high96.2Very high17 Ų1719.7 Ų19.714%0.1412%0.122CC..SBendtrans-138.6-131-174.600000109.7I213 G217 G286 T399I213-A215 HydrophobicContact CG2-CB 3.98Å; A215-G217 CarbonylContact C-O 3.4Å; A215-G217 PolarHBondContact N-O 2.83Å; A215-G217 PolarHBondContact O-N 3.18Å; A215-G286 PolarHBondContact O-N 2.98Å; A215-T399 PolarHBondContact O-OG1 2.77Å
216T92.7Very high96.5Very high28 Ų2817.1 Ų17.117%0.17211%0.108CC..SBendtrans-54.8-38170.2-50.40000111.9K158 A285 M287K158-T216 HydrophobicContact CB-CG2 4.03Å; K158-T216 HydrophobicContact CG-CG2 4.33Å; T216-A285 VanDerWaalsContact O-CB 3.24Å; T216-A285 WeakPolarHBondContact O-CB 3.31Å; T216-M287 HydrophobicContact CG2-CB 3.84Å; T216-M287 HydrophobicContact CG2-CG 4.29Å; T216-M287 HydrophobicContact CG2-SD 3.99Å; T216-M287 WeakPolarHBondContact O-CB 3.26Å; T216-M287 PolarHBondContact O-N 3.41Å
217G94.8Very high96.7Very high2 Ų222.9 Ų22.92%0.02111%0.114CC..SBendtrans-121.8179.1168.300000111.2A215 A285A215-G217 CarbonylContact C-O 3.4Å; A215-G217 PolarHBondContact N-O 2.83Å; A215-G217 PolarHBondContact O-N 3.18Å; G217-A285 VanDerWaalsContact C-CB 3.42Å
218T97.7Very high97Very high2 Ų223.7 Ų23.71%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-125133.4169.4-178.50000111.2I213 W248 F280 D281 V284I213-T218 WeakPolarHBondContact O-CA 3.38Å; I213-T218 PolarHBondContact O-OG1 2.93Å; T218-W248 VanDerWaalsContact C-NE1 3.33Å; T218-W248 PolarHBondContact O-NE1 3.14Å; T218-W248 PolarHBondContact OG1-NE1 3.19Å; T218-F280 HydrophobicContact CG2-CD1 3.74Å; T218-F280 HydrophobicContact CG2-CE1 3.93Å; T218-D281 WeakPolarHBondContact CG2-OD1 3.23Å; T218-D281 PolarHBondContact N-OD1 3.37Å; T218-V284 HydrophobicContact CG2-CB 3.8Å; T218-V284 HydrophobicContact CG2-CG1 3.9Å; T218-V284 HydrophobicContact CG2-CG2 4.45Å
219N98Very high97.1Very high5 Ų523.7 Ų23.73%0.02712%0.116CC..EExtended strand (participates in β ladder)trans-154.6168.2178.1-163.89.9000110.4T194 V212 I213 D245 T246 E247 W248T194-N219 HydrophobicContact CG2-CB 3.59Å; T194-N219 WeakPolarHBondContact CG2-O 3.23Å; V212-N219 WeakPolarHBondContact CA-O 3.49Å; I213-N219 PolarHBondContact N-O 3.37Å; I213-N219 PolarHBondContact O-N 3.38Å; N219-D245 PolarHBondContact ND2-OD1 3.35Å; N219-D245 PolarHBondContact OD1-OD1 3.29Å; N219-T246 PolarHBondContact OD1-OG1 3.23Å; N219-E247 PolarHBondContact ND2-OE2 2.95Å; N219-E247 WeakPolarHBondContact OD1-CA 3.48Å; N219-E247 PolarHBondContact OD1-N 2.75Å; N219-W248 VanDerWaalsContact C-CE2 3.44Å; N219-W248 PolarHBondContact OD1-N 3.19Å
220A98.6Very high97.2Very high0 Ų027 Ų270%014%0.135CC..EExtended strand (participates in β ladder)trans-147.7162.5168.300000113.9L210 G211 V212 T246 W248L210-A220 HydrophobicContact CD1-CB 3.82Å; L210-A220 HydrophobicContact CG-CB 4.48Å; G211-A220 CarbonylContact O-C 3.56Å; G211-A220 WeakPolarHBondContact O-CA 3.29Å; G211-A220 VanDerWaalsContact O-CB 3.26Å; G211-A220 WeakPolarHBondContact O-CB 3.29Å; V212-A220 HydrophobicContact CG2-CB 4.1Å; A220-T246 WeakPolarHBondContact O-CB 2.97Å; A220-T246 WeakPolarHBondContact O-CG2 3.49Å; A220-T246 PolarHBondContact O-N 3.29Å; A220-T246 PolarHBondContact O-OG1 2.87Å; A220-W248 HydrophobicContact CB-CD2 4.05Å; A220-W248 HydrophobicContact CB-CE3 3.76Å; A220-W248 HydrophobicContact CB-CH2 3.17Å; A220-W248 HydrophobicContact CB-CZ2 3.46Å; A220-W248 VanDerWaalsContact CB-CZ2 3.46Å; A220-W248 HydrophobicContact CB-CZ3 3.33Å
221S98.6Very high97.2Very high0 Ų029.8 Ų29.80%015%0.147CC..EExtended strand (participates in β ladder)trans-136.1150170.662.60000112.2T194 V195 Q198 L210 G211 V244T194-S221 PolarHBondContact O-OG 2.67Å; T194-S221 VanDerWaalsContact O-OG 3.07Å; T194-S221 WeakPolarHBondContact OG1-CB 3.27Å; T194-S221 PolarHBondContact OG1-OG 3.37Å; V195-S221 WeakPolarHBondContact CA-OG 3.44Å; V195-S221 PolarHBondContact N-OG 2.74Å; V195-S221 VanDerWaalsContact N-OG 3.15Å; Q198-S221 PolarHBondContact OE1-O 2.89Å; L210-S221 CarbonylContact C-O 3.58Å; L210-S221 WeakPolarHBondContact CA-O 3.47Å; L210-S221 WeakPolarHBondContact CD1-O 3.2Å; G211-S221 PolarHBondContact N-O 3.48Å; G211-S221 PolarHBondContact O-N 2.83Å; S221-V244 WeakPolarHBondContact CA-O 3.39Å; S221-V244 VanDerWaalsContact CB-O 3.25Å; S221-V244 WeakPolarHBondContact CB-O 3.46Å
222Y98.3Very high97.1Very high2 Ų230.6 Ų30.61%0.00815%0.151CC..EExtended strand (participates in β ladder)trans-146.1166.5177.173.3-73000110.6M35 M50 A209 E224 I243 V244 T246 V382 R385 I386M35-Y222 HydrophobicContact CE-CE1 3.83Å; M50-Y222 HydrophobicContact CE-CE1 3.62Å; M50-Y222 WeakPolarHBondContact CE-OH 3.46Å; A209-Y222 VanDerWaalsContact O-CB 3.31Å; A209-Y222 WeakPolarHBondContact O-CB 3.46Å; Y222-E224 HydrophobicContact CD2-CB 4.4Å; Y222-E224 HydrophobicContact CE2-CB 3.66Å; Y222-E224 HydrophobicContact CE2-CG 4.14Å; Y222-E224 PolarHBondContact OH-OE2 3.41Å; Y222-I243 CarbonylContact O-C 3.58Å; Y222-I243 WeakPolarHBondContact O-CA 3.28Å; Y222-V244 HydrophobicContact CE1-CB 4.43Å; Y222-V244 PolarHBondContact N-O 3.14Å; Y222-V244 VanDerWaalsContact N-O 3.1Å; Y222-V244 PolarHBondContact O-N 2.94Å; Y222-T246 HydrophobicContact CD1-CG2 3.98Å; Y222-T246 HydrophobicContact CE1-CG2 4.01Å; Y222-V382 HydrophobicContact CD1-CG1 3.89Å; Y222-V382 HydrophobicContact CE1-CG1 4.46Å; Y222-V382 HydrophobicContact CG-CG1 3.94Å; Y222-R385 PolarHBondContact OH-NE 2.98Å; Y222-I386 HydrophobicContact CD2-CD1 4.22Å; Y222-I386 HydrophobicContact CD2-CG1 3.86Å; Y222-I386 HydrophobicContact CG-CD1 4.31Å; Y222-I386 HydrophobicContact CG-CG1 4.41Å
223L97.1Very high97Very high41 Ų4139.7 Ų39.722%0.21519%0.191CC..EExtended strand (participates in β ladder)trans-86.5114178.3-167.570.3000110K241 I243L223-K241 HydrophobicContact CD1-CB 3.84Å; L223-K241 HydrophobicContact CD2-CB 4.07Å; L223-K241 HydrophobicContact CD2-CD 3.5Å; L223-K241 HydrophobicContact CD2-CG 4.41Å; L223-K241 HydrophobicContact CG-CB 3.73Å; L223-K241 HydrophobicContact CG-CD 3.71Å; L223-K241 HydrophobicContact CG-CG 4.35Å; L223-I243 HydrophobicContact CD1-CG1 3.67Å
224E97.6Very high96.8Very high8 Ų843.4 Ų43.44%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-109150.1-178.5-175.859.5-77.100111.3L39 Y222 F226 K228 I229 K241 M242 V244 R385L39-E224 HydrophobicContact CD1-CG 4.39Å; L39-E224 HydrophobicContact CD2-CG 4.32Å; Y222-E224 HydrophobicContact CD2-CB 4.4Å; Y222-E224 HydrophobicContact CE2-CB 3.66Å; Y222-E224 HydrophobicContact CE2-CG 4.14Å; Y222-E224 PolarHBondContact OH-OE2 3.41Å; E224-F226 PolarHBondContact O-N 3.35Å; E224-K228 HydrophobicContact CG-CB 4.27Å; E224-K228 WeakPolarHBondContact OE1-CD 3.2Å; E224-K228 IonicContact OE1-NZ 3.3Å; E224-I229 HydrophobicContact CG-CG1 4.21Å; E224-K241 CarbonylContact O-C 3.59Å; E224-K241 VanDerWaalsContact O-CA 3.23Å; E224-K241 WeakPolarHBondContact O-CA 3.38Å; E224-K241 WeakPolarHBondContact O-CB 3.05Å; E224-M242 PolarHBondContact N-O 3.31Å; E224-M242 PolarHBondContact O-N 2.89Å; E224-V244 HydrophobicContact CB-CB 4.43Å; E224-V244 HydrophobicContact CB-CG2 3.78Å; E224-V244 HydrophobicContact CG-CG2 4.5Å; E224-R385 IonicContact OE2-CZ 3.39Å; E224-R385 IonicContact OE2-NE 2.92Å; E224-R385 PolarHBondContact OE2-NE 2.93Å; E224-R385 IonicContact OE2-NH2 3.37Å; E224-R385 PolarHBondContact OE2-NH2 3.41Å
225D97.2Very high96.6Very high46 Ų4646.4 Ų46.425%0.24625%0.249CC..EExtended strand (participates in β ladder)trans-66.2125.3172.8-55.9-41.4000109.4K227 K228 K241D225-K227 PolarHBondContact O-N 3.47Å; D225-K228 HydrophobicContact CB-CD 4.02Å; D225-K228 HydrophobicContact CB-CG 4.24Å; D225-K228 WeakPolarHBondContact O-CB 3.38Å; D225-K228 PolarHBondContact O-N 3.08Å; D225-K228 VanDerWaalsContact OD2-CE 3.28Å; D225-K228 WeakPolarHBondContact OD2-CE 3.38Å; D225-K228 IonicContact OD2-NZ 2.62Å; D225-K228 PolarHBondContact OD2-NZ 2.87Å; D225-K241 WeakPolarHBondContact OD1-CE 3.29Å
226F97.7Very high96.5Very high36 Ų3653.5 Ų53.516%0.15828%0.279CS..G310 helixtrans-55.8-34.3-177.4178-108.3000112.2E224 K228 I229 L232 Y237 E240 M242E224-F226 PolarHBondContact O-N 3.35Å; F226-K228 PolarHBondContact O-N 3.03Å; F226-I229 HydrophobicContact CD2-CD1 4.34Å; F226-I229 WeakPolarHBondContact O-CB 3.48Å; F226-I229 PolarHBondContact O-N 2.77Å; F226-L232 HydrophobicContact CE2-CB 3.97Å; F226-L232 HydrophobicContact CE2-CD1 3.87Å; F226-L232 HydrophobicContact CZ-CB 4.21Å; F226-Y237 HydrophobicContact CB-CD1 4.01Å; F226-Y237 HydrophobicContact CB-CE1 4.14Å; F226-Y237 AromaticContact CD1-CD1 3.84Å; F226-Y237 HydrophobicContact CD1-CD1 3.84Å; F226-Y237 HydrophobicContact CD1-CG 4.49Å; F226-Y237 AromaticContact CD2-CD1 3.34Å; F226-Y237 HydrophobicContact CD2-CD1 3.34Å; F226-Y237 AromaticContact CD2-CE1 3.79Å; F226-Y237 HydrophobicContact CD2-CE1 3.79Å; F226-Y237 AromaticContact CD2-CG 3.94Å; F226-Y237 HydrophobicContact CD2-CG 3.94Å; F226-Y237 HydrophobicContact CE1-CD1 4.14Å; F226-Y237 HydrophobicContact CE1-CG 4.34Å; F226-Y237 AromaticContact CE2-CD1 3.67Å; F226-Y237 HydrophobicContact CE2-CD1 3.67Å; F226-Y237 HydrophobicContact CE2-CE1 4.41Å; F226-Y237 AromaticContact CE2-CG 3.76Å; F226-Y237 HydrophobicContact CE2-CG 3.76Å; F226-Y237 AromaticContact CG-CD1 3.44Å; F226-Y237 HydrophobicContact CG-CD1 3.44Å; F226-Y237 VanDerWaalsContact CG-CD1 3.44Å; F226-Y237 AromaticContact CG-CE1 3.99Å; F226-Y237 HydrophobicContact CG-CE1 3.99Å; F226-Y237 HydrophobicContact CG-CG 4.31Å; F226-Y237 HydrophobicContact CZ-CD1 4.07Å; F226-Y237 AromaticContact CZ-CG 3.99Å; F226-Y237 HydrophobicContact CZ-CG 3.99Å; F226-E240 VanDerWaalsContact CB-O 3.31Å; F226-E240 WeakPolarHBondContact CB-O 3.24Å; F226-E240 PolarHBondContact N-O 3.47Å; F226-M242 HydrophobicContact CD2-CE 3.95Å; F226-M242 HydrophobicContact CE2-CE 4Å
227K97Very high96.7Very high187 Ų18753.8 Ų53.881%0.81328%0.277SS*.G310 helixtrans-61.7-24176.4-65.9176.5-177.3167.30113.8D225D225-K227 PolarHBondContact O-N 3.47Å
228K97.4Very high96.6Very high101 Ų10160 Ų6044%0.43931%0.31SS..G310 helixtrans-84.9-15176-69.1170176.8157.60112.5E224 D225 F226 V230E224-K228 HydrophobicContact CG-CB 4.27Å; E224-K228 WeakPolarHBondContact OE1-CD 3.2Å; E224-K228 IonicContact OE1-NZ 3.3Å; D225-K228 HydrophobicContact CB-CD 4.02Å; D225-K228 HydrophobicContact CB-CG 4.24Å; D225-K228 WeakPolarHBondContact O-CB 3.38Å; D225-K228 PolarHBondContact O-N 3.08Å; D225-K228 VanDerWaalsContact OD2-CE 3.28Å; D225-K228 WeakPolarHBondContact OD2-CE 3.38Å; D225-K228 IonicContact OD2-NZ 2.62Å; D225-K228 PolarHBondContact OD2-NZ 2.87Å; F226-K228 PolarHBondContact O-N 3.03Å; K228-V230 PolarHBondContact O-N 3.38Å
229I98Very high96.6Very high3 Ų362.9 Ų62.92%0.01532%0.321CS..  trans-82.467.9176.6-43.7178.2000109.3L39 P52 E224 F226 K231 L232 M242 V244L39-I229 HydrophobicContact CD2-CB 4.41Å; L39-I229 HydrophobicContact CD2-CG1 4.04Å; L39-I229 HydrophobicContact CD2-CG2 4.28Å; P52-I229 HydrophobicContact CG-CG2 4.42Å; E224-I229 HydrophobicContact CG-CG1 4.21Å; F226-I229 HydrophobicContact CD2-CD1 4.34Å; F226-I229 WeakPolarHBondContact O-CB 3.48Å; F226-I229 PolarHBondContact O-N 2.77Å; I229-K231 HydrophobicContact CG2-CG 4.01Å; I229-K231 PolarHBondContact O-N 2.69Å; I229-K231 VanDerWaalsContact O-N 3.12Å; I229-L232 HydrophobicContact CG2-CB 4.29Å; I229-L232 HydrophobicContact CG2-CD1 3.99Å; I229-L232 HydrophobicContact CG2-CG 3.86Å; I229-L232 PolarHBondContact O-N 3.18Å; I229-M242 HydrophobicContact CD1-CB 3.97Å; I229-M242 HydrophobicContact CD1-SD 4.17Å; I229-V244 HydrophobicContact CD1-CG2 3.62Å; I229-V244 HydrophobicContact CG1-CG2 4.29Å
230V97.8Very high96.5Very high82 Ų8269.7 Ų69.750%0.49735%0.353SS..G310 helixtrans-58-31.1-171177.90000112.9L39 K228 L232 K233L39-V230 PolarHBondContact O-N 3.33Å; L39-V230 VanDerWaalsContact O-N 3.14Å; K228-V230 PolarHBondContact O-N 3.38Å; V230-L232 PolarHBondContact O-N 2.69Å; V230-L232 VanDerWaalsContact O-N 3.14Å; V230-K233 WeakPolarHBondContact O-CB 3.21Å; V230-K233 PolarHBondContact O-N 3.42Å
231K97Very high96.5Very high60 Ų6072.2 Ų72.226%0.26136%0.364SS..G310 helixtrans-62.3-17.5175.268.2-178.1175.3-176.30114.6G38 L39 A40 A49 M50 I229G38-K231 WeakPolarHBondContact O-CD 3.43Å; G38-K231 PolarHBondContact O-NZ 3.32Å; L39-K231 WeakPolarHBondContact O-CG 3.29Å; L39-K231 PolarHBondContact O-N 2.82Å; A40-K231 WeakPolarHBondContact O-CB 3.22Å; A40-K231 PolarHBondContact O-N 3.3Å; A49-K231 PolarHBondContact O-NZ 2.68Å; M50-K231 VanDerWaalsContact C-NZ 3.35Å; M50-K231 VanDerWaalsContact O-CE 3.26Å; M50-K231 WeakPolarHBondContact O-CE 3.47Å; M50-K231 PolarHBondContact O-NZ 3.47Å; I229-K231 HydrophobicContact CG2-CG 4.01Å; I229-K231 PolarHBondContact O-N 2.69Å; I229-K231 VanDerWaalsContact O-N 3.12Å
232L96.9Very high96.4Very high17 Ų1772.2 Ų72.29%0.08936%0.364CS..G310 helixtrans-98.812.5173.6-62.9-172000112.8P52 F54 F226 I229 V230 G234 V235 M242P52-L232 HydrophobicContact CB-CD1 3.67Å; P52-L232 HydrophobicContact CG-CD1 3.68Å; P52-L232 HydrophobicContact CG-CD2 4.17Å; P52-L232 HydrophobicContact CG-CG 4.04Å; F54-L232 HydrophobicContact CZ-CD1 4.3Å; F226-L232 HydrophobicContact CE2-CB 3.97Å; F226-L232 HydrophobicContact CE2-CD1 3.87Å; F226-L232 HydrophobicContact CZ-CB 4.21Å; I229-L232 HydrophobicContact CG2-CB 4.29Å; I229-L232 HydrophobicContact CG2-CD1 3.99Å; I229-L232 HydrophobicContact CG2-CG 3.86Å; I229-L232 PolarHBondContact O-N 3.18Å; V230-L232 PolarHBondContact O-N 2.69Å; V230-L232 VanDerWaalsContact O-N 3.14Å; L232-G234 PolarHBondContact O-N 2.69Å; L232-G234 VanDerWaalsContact O-N 3.15Å; L232-V235 HydrophobicContact CB-CB 4.34Å; L232-V235 HydrophobicContact CB-CG2 4.2Å; L232-V235 HydrophobicContact CD2-CG2 4.17Å; L232-V235 VanDerWaalsContact O-CB 3.3Å; L232-V235 WeakPolarHBondContact O-CB 3.29Å; L232-V235 WeakPolarHBondContact O-CG2 3.44Å; L232-V235 PolarHBondContact O-N 3.05Å; L232-M242 HydrophobicContact CD1-CE 4.03Å; L232-M242 HydrophobicContact CD1-SD 4.28Å
233K95Very high96.4Very high190 Ų19072.1 Ų72.183%0.82636%0.363SS*.THydrogen-bonded Turntrans-55.1122.7175.9-177.2178.6-179.1-179.50110.5V230V230-K233 WeakPolarHBondContact O-CB 3.21Å; V230-K233 PolarHBondContact O-N 3.42Å
234G93.7Very high96.5Very high84 Ų8470.2 Ų70.287%0.86635%0.353SS*.THydrogen-bonded Turntrans91.7-6-178.700000114.8L232L232-G234 PolarHBondContact O-N 2.69Å; L232-G234 VanDerWaalsContact O-N 3.15Å
235V94.3Very high96.6Very high64 Ų6470.1 Ų70.139%0.38835%0.353SS..  trans-73.9131.3168.4178.20000108.8L232 Y237L232-V235 HydrophobicContact CB-CB 4.34Å; L232-V235 HydrophobicContact CB-CG2 4.2Å; L232-V235 HydrophobicContact CD2-CG2 4.17Å; L232-V235 VanDerWaalsContact O-CB 3.3Å; L232-V235 WeakPolarHBondContact O-CB 3.29Å; L232-V235 WeakPolarHBondContact O-CG2 3.44Å; L232-V235 PolarHBondContact O-N 3.05Å; V235-Y237 PolarHBondContact O-N 3Å
236Q92.4Very high96.6Very high166 Ų16668 Ų6878%0.77634%0.342SS*.  trans-68120.4173.7-177.2178.5-9.600109.6
237Y94.9Very high96.6Very high34 Ų3466.7 Ų66.713%0.13334%0.336CS..  trans-152.8120.5179.5-169.7-110.5000109.6F54 P56 F226 V235 Y239 K241 M242F54-Y237 HydrophobicContact CD1-CE2 4.45Å; P56-Y237 WeakPolarHBondContact CA-OH 3.41Å; P56-Y237 VanDerWaalsContact CB-OH 3.29Å; P56-Y237 WeakPolarHBondContact CB-OH 3.46Å; F226-Y237 HydrophobicContact CB-CD1 4.01Å; F226-Y237 HydrophobicContact CB-CE1 4.14Å; F226-Y237 AromaticContact CD1-CD1 3.84Å; F226-Y237 HydrophobicContact CD1-CD1 3.84Å; F226-Y237 HydrophobicContact CD1-CG 4.49Å; F226-Y237 AromaticContact CD2-CD1 3.34Å; F226-Y237 HydrophobicContact CD2-CD1 3.34Å; F226-Y237 AromaticContact CD2-CE1 3.79Å; F226-Y237 HydrophobicContact CD2-CE1 3.79Å; F226-Y237 AromaticContact CD2-CG 3.94Å; F226-Y237 HydrophobicContact CD2-CG 3.94Å; F226-Y237 HydrophobicContact CE1-CD1 4.14Å; F226-Y237 HydrophobicContact CE1-CG 4.34Å; F226-Y237 AromaticContact CE2-CD1 3.67Å; F226-Y237 HydrophobicContact CE2-CD1 3.67Å; F226-Y237 HydrophobicContact CE2-CE1 4.41Å; F226-Y237 AromaticContact CE2-CG 3.76Å; F226-Y237 HydrophobicContact CE2-CG 3.76Å; F226-Y237 AromaticContact CG-CD1 3.44Å; F226-Y237 HydrophobicContact CG-CD1 3.44Å; F226-Y237 VanDerWaalsContact CG-CD1 3.44Å; F226-Y237 AromaticContact CG-CE1 3.99Å; F226-Y237 HydrophobicContact CG-CE1 3.99Å; F226-Y237 HydrophobicContact CG-CG 4.31Å; F226-Y237 HydrophobicContact CZ-CD1 4.07Å; F226-Y237 AromaticContact CZ-CG 3.99Å; F226-Y237 HydrophobicContact CZ-CG 3.99Å; V235-Y237 PolarHBondContact O-N 3Å; Y237-Y239 VanDerWaalsContact CD1-O 3.22Å; Y237-Y239 WeakPolarHBondContact CD1-O 3.37Å; Y237-Y239 HydrophobicContact CD2-CD2 4.39Å; Y237-Y239 HydrophobicContact CE1-CD2 4.33Å; Y237-Y239 HydrophobicContact CE1-CG 4.49Å; Y237-Y239 WeakPolarHBondContact CE1-O 3.29Å; Y237-Y239 AromaticContact CE2-CD2 3.95Å; Y237-Y239 HydrophobicContact CE2-CD2 3.95Å; Y237-Y239 AromaticContact CZ-CD2 3.94Å; Y237-K241 WeakPolarHBondContact CE1-O 3.39Å; Y237-K241 PolarHBondContact OH-O 3.06Å; Y237-K241 VanDerWaalsContact OH-O 3.11Å; Y237-M242 HydrophobicContact CD1-CE 4.2Å; Y237-M242 HydrophobicContact CD2-CE 3.8Å; Y237-M242 HydrophobicContact CE1-CB 4.15Å; Y237-M242 HydrophobicContact CE1-CE 3.8Å; Y237-M242 HydrophobicContact CE2-CE 3.4Å; Y237-M242 HydrophobicContact CG-CE 4.17Å; Y237-M242 WeakPolarHBondContact OH-CB 3.41Å
238D94.5Very high96.7Very high131 Ų13157.8 Ų57.870%0.70130%0.297SS*.  trans-92.66.7-167.8-57.9-42.3000113.6
239Y96.3Very high96.7Very high64 Ų6453 Ų5325%0.25128%0.277SS..  trans-116.2149.7-175.8-52.4-88.6000111.7P56 Y237 L449 L451P56-Y239 HydrophobicContact CB-CD1 3.68Å; P56-Y239 HydrophobicContact CB-CD2 3.54Å; P56-Y239 HydrophobicContact CB-CE1 4.16Å; P56-Y239 HydrophobicContact CB-CE2 4.06Å; P56-Y239 HydrophobicContact CB-CG 3.34Å; P56-Y239 HydrophobicContact CG-CD1 4.25Å; P56-Y239 HydrophobicContact CG-CD2 4.22Å; P56-Y239 HydrophobicContact CG-CE1 4.25Å; P56-Y239 HydrophobicContact CG-CE2 4.24Å; P56-Y239 HydrophobicContact CG-CG 4.24Å; Y237-Y239 VanDerWaalsContact CD1-O 3.22Å; Y237-Y239 WeakPolarHBondContact CD1-O 3.37Å; Y237-Y239 HydrophobicContact CD2-CD2 4.39Å; Y237-Y239 HydrophobicContact CE1-CD2 4.33Å; Y237-Y239 HydrophobicContact CE1-CG 4.49Å; Y237-Y239 WeakPolarHBondContact CE1-O 3.29Å; Y237-Y239 AromaticContact CE2-CD2 3.95Å; Y237-Y239 HydrophobicContact CE2-CD2 3.95Å; Y237-Y239 AromaticContact CZ-CD2 3.94Å; Y239-L449 HydrophobicContact CE1-CD1 4Å; Y239-L449 HydrophobicContact CE1-CD2 4.31Å; Y239-L451 HydrophobicContact CE2-CD1 4.21Å; Y239-L451 HydrophobicContact CE2-CD2 4.11Å
240E96.9Very high96.6Very high147 Ų14752.9 Ų52.969%0.68728%0.276SS*.SBendtrans-72.3-36.7-177.7-178.8174.7-166.700113F226F226-E240 VanDerWaalsContact CB-O 3.31Å; F226-E240 WeakPolarHBondContact CB-O 3.24Å; F226-E240 PolarHBondContact N-O 3.47Å
241K97.4Very high96.7Very high54 Ų5449 Ų4924%0.23525%0.252CS..EExtended strand (participates in β ladder)trans-123.2160.4-175.8-62.3-165.6174.9-170.70111.1P56 L223 E224 D225 Y237 E388P56-K241 VanDerWaalsContact O-O 3.07Å; L223-K241 HydrophobicContact CD1-CB 3.84Å; L223-K241 HydrophobicContact CD2-CB 4.07Å; L223-K241 HydrophobicContact CD2-CD 3.5Å; L223-K241 HydrophobicContact CD2-CG 4.41Å; L223-K241 HydrophobicContact CG-CB 3.73Å; L223-K241 HydrophobicContact CG-CD 3.71Å; L223-K241 HydrophobicContact CG-CG 4.35Å; E224-K241 CarbonylContact O-C 3.59Å; E224-K241 VanDerWaalsContact O-CA 3.23Å; E224-K241 WeakPolarHBondContact O-CA 3.38Å; E224-K241 WeakPolarHBondContact O-CB 3.05Å; D225-K241 WeakPolarHBondContact OD1-CE 3.29Å; Y237-K241 WeakPolarHBondContact CE1-O 3.39Å; Y237-K241 PolarHBondContact OH-O 3.06Å; Y237-K241 VanDerWaalsContact OH-O 3.11Å; K241-E388 IonicContact NZ-OE1 2.69Å; K241-E388 PolarHBondContact NZ-OE1 2.88Å
242M98.1Very high96.7Very high0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-144.4139.3174.4-174.8-173.6-69.600109.1P52 F54 V55 E224 F226 I229 L232 Y237 V244P52-M242 HydrophobicContact CB-SD 3.4Å; P52-M242 WeakPolarHBondContact CB-SD 3.31Å; F54-M242 HydrophobicContact CD1-CE 3.96Å; F54-M242 HydrophobicContact CE1-CE 4.21Å; F54-M242 HydrophobicContact CG-CE 4.2Å; V55-M242 WeakPolarHBondContact O-CA 3.37Å; E224-M242 PolarHBondContact N-O 3.31Å; E224-M242 PolarHBondContact O-N 2.89Å; F226-M242 HydrophobicContact CD2-CE 3.95Å; F226-M242 HydrophobicContact CE2-CE 4Å; I229-M242 HydrophobicContact CD1-CB 3.97Å; I229-M242 HydrophobicContact CD1-SD 4.17Å; L232-M242 HydrophobicContact CD1-CE 4.03Å; L232-M242 HydrophobicContact CD1-SD 4.28Å; Y237-M242 HydrophobicContact CD1-CE 4.2Å; Y237-M242 HydrophobicContact CD2-CE 3.8Å; Y237-M242 HydrophobicContact CE1-CB 4.15Å; Y237-M242 HydrophobicContact CE1-CE 3.8Å; Y237-M242 HydrophobicContact CE2-CE 3.4Å; Y237-M242 HydrophobicContact CG-CE 4.17Å; Y237-M242 WeakPolarHBondContact OH-CB 3.41Å; M242-V244 PolarHBondContact O-N 2.75Å
243I98.4Very high96.7Very high0 Ų047.2 Ų47.20%025%0.246CC..EExtended strand (participates in β ladder)trans-69127.5170.3-57.2178.2000108.5S53 V55 L58 V195 Q198 V199 Y222 L223S53-I243 VanDerWaalsContact CB-O 3.29Å; S53-I243 WeakPolarHBondContact CB-O 3.45Å; S53-I243 PolarHBondContact N-O 2.82Å; S53-I243 VanDerWaalsContact N-O 3.1Å; S53-I243 PolarHBondContact OG-O 3.21Å; V55-I243 HydrophobicContact CB-CB 4.29Å; V55-I243 HydrophobicContact CB-CD1 4.02Å; V55-I243 HydrophobicContact CB-CG1 4.27Å; V55-I243 HydrophobicContact CG1-CD1 3.69Å; V55-I243 HydrophobicContact CG1-CG1 4.31Å; V55-I243 PolarHBondContact O-N 3.07Å; L58-I243 HydrophobicContact CD2-CD1 3.81Å; V195-I243 HydrophobicContact CB-CG2 4.37Å; V195-I243 HydrophobicContact CG1-CB 4.45Å; V195-I243 HydrophobicContact CG1-CD1 4.16Å; V195-I243 HydrophobicContact CG1-CG2 4.03Å; V195-I243 HydrophobicContact CG2-CG2 3.86Å; Q198-I243 VanDerWaalsContact OE1-CG2 3.22Å; V199-I243 HydrophobicContact CG2-CD1 3.82Å; Y222-I243 CarbonylContact O-C 3.58Å; Y222-I243 WeakPolarHBondContact O-CA 3.28Å; L223-I243 HydrophobicContact CD1-CG1 3.67Å
244V98.7Very high96.8Very high0 Ų045.3 Ų45.30%023%0.233CC..EExtended strand (participates in β ladder)trans-111.3124.9177.5175.90000108.6L39 M50 S221 Y222 E224 I229 M242L39-V244 HydrophobicContact CD2-CG1 4.43Å; M50-V244 VanDerWaalsContact C-CG1 3.44Å; M50-V244 HydrophobicContact CB-CG1 3.86Å; M50-V244 HydrophobicContact CE-CG1 3.96Å; M50-V244 WeakPolarHBondContact O-CG1 3.2Å; S221-V244 WeakPolarHBondContact CA-O 3.39Å; S221-V244 VanDerWaalsContact CB-O 3.25Å; S221-V244 WeakPolarHBondContact CB-O 3.46Å; Y222-V244 HydrophobicContact CE1-CB 4.43Å; Y222-V244 PolarHBondContact N-O 3.14Å; Y222-V244 VanDerWaalsContact N-O 3.1Å; Y222-V244 PolarHBondContact O-N 2.94Å; E224-V244 HydrophobicContact CB-CB 4.43Å; E224-V244 HydrophobicContact CB-CG2 3.78Å; E224-V244 HydrophobicContact CG-CG2 4.5Å; I229-V244 HydrophobicContact CD1-CG2 3.62Å; I229-V244 HydrophobicContact CG1-CG2 4.29Å; M242-V244 PolarHBondContact O-N 2.75Å
245D98.5Very high96.9Very high7 Ų742.9 Ų42.94%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-77.9116.8166.1172.49.3000108.4M50 L51 N192 V195 N219 E247M50-D245 CarbonylContact C-O 3.54Å; M50-D245 VanDerWaalsContact CA-O 3.23Å; M50-D245 WeakPolarHBondContact CA-O 3.34Å; L51-D245 HydrophobicContact CB-CB 4.23Å; L51-D245 PolarHBondContact N-O 3.3Å; L51-D245 PolarHBondContact O-N 3Å; N192-D245 HydrophobicContact CB-CB 4.33Å; N192-D245 VanDerWaalsContact CB-OD2 3.3Å; N192-D245 WeakPolarHBondContact CB-OD2 3.33Å; N192-D245 PolarHBondContact ND2-OD2 3.1Å; V195-D245 HydrophobicContact CG2-CB 4.47Å; N219-D245 PolarHBondContact ND2-OD1 3.35Å; N219-D245 PolarHBondContact OD1-OD1 3.29Å; D245-E247 VanDerWaalsContact C-N 3.27Å; D245-E247 PolarHBondContact O-N 3.08Å; D245-E247 PolarHBondContact OD1-N 2.93Å; D245-E247 VanDerWaalsContact OD1-N 3.08Å
246T98.6Very high97Very high0 Ų041.3 Ų41.30%020%0.197CC..  trans-65.6-33.8-175.161.60000112.2M35 V48 A49 M50 N219 A220 Y222 W248M35-T246 HydrophobicContact CE-CG2 4.1Å; V48-T246 WeakPolarHBondContact CG1-O 3.33Å; A49-T246 PolarHBondContact N-O 3.16Å; M50-T246 PolarHBondContact N-O 3.34Å; M50-T246 HydrophobicContact SD-CG2 4.15Å; N219-T246 PolarHBondContact OD1-OG1 3.23Å; A220-T246 WeakPolarHBondContact O-CB 2.97Å; A220-T246 WeakPolarHBondContact O-CG2 3.49Å; A220-T246 PolarHBondContact O-N 3.29Å; A220-T246 PolarHBondContact O-OG1 2.87Å; Y222-T246 HydrophobicContact CD1-CG2 3.98Å; Y222-T246 HydrophobicContact CE1-CG2 4.01Å; T246-W248 PolarHBondContact O-N 2.87Å; T246-W248 PolarHBondContact OG1-N 3.29Å
247E97.3Very high97.2Very high9 Ų933.4 Ų33.44%0.04216%0.16CC..  trans47.146.4-164.4-158.162.1-172.400111.6A49 L51 P142 N219 D245 G249 G250A49-E247 HydrophobicContact CB-CB 4.08Å; L51-E247 HydrophobicContact CD1-CB 4.27Å; L51-E247 HydrophobicContact CD1-CG 4.44Å; P142-E247 HydrophobicContact CB-CG 4.2Å; N219-E247 PolarHBondContact ND2-OE2 2.95Å; N219-E247 WeakPolarHBondContact OD1-CA 3.48Å; N219-E247 PolarHBondContact OD1-N 2.75Å; D245-E247 VanDerWaalsContact C-N 3.27Å; D245-E247 PolarHBondContact O-N 3.08Å; D245-E247 PolarHBondContact OD1-N 2.93Å; D245-E247 VanDerWaalsContact OD1-N 3.08Å; E247-G249 PolarHBondContact O-N 2.92Å; E247-G249 VanDerWaalsContact O-N 3.09Å; E247-G250 PolarHBondContact O-N 3.25Å
248W98.3Very high97.3Very high1 Ų135.1 Ų35.10%0.00417%0.169CC..G310 helixtrans-66.9-9.9-177.667.228.5000113.8L31 V48 V212 T218 N219 A220 T246 G250 F251 F280 A378 I379 V382L31-W248 HydrophobicContact CD1-CB 4.47Å; V48-W248 HydrophobicContact CG1-CB 4.49Å; V212-W248 HydrophobicContact CG1-CH2 4.16Å; V212-W248 HydrophobicContact CG1-CZ2 3.85Å; V212-W248 HydrophobicContact CG2-CH2 4.28Å; T218-W248 VanDerWaalsContact C-NE1 3.33Å; T218-W248 PolarHBondContact O-NE1 3.14Å; T218-W248 PolarHBondContact OG1-NE1 3.19Å; N219-W248 VanDerWaalsContact C-CE2 3.44Å; N219-W248 PolarHBondContact OD1-N 3.19Å; A220-W248 HydrophobicContact CB-CD2 4.05Å; A220-W248 HydrophobicContact CB-CE3 3.76Å; A220-W248 HydrophobicContact CB-CH2 3.17Å; A220-W248 HydrophobicContact CB-CZ2 3.46Å; A220-W248 VanDerWaalsContact CB-CZ2 3.46Å; A220-W248 HydrophobicContact CB-CZ3 3.33Å; T246-W248 PolarHBondContact O-N 2.87Å; T246-W248 PolarHBondContact OG1-N 3.29Å; W248-G250 PolarHBondContact O-N 3.07Å; W248-F251 VanDerWaalsContact O-CB 3.25Å; W248-F251 WeakPolarHBondContact O-CB 3.32Å; W248-F251 PolarHBondContact O-N 3.13Å; W248-F280 AromaticContact CD1-CD1 3.87Å; W248-F280 HydrophobicContact CG-CD1 4.46Å; W248-F280 WeakPolarHBondContact O-CB 3.17Å; W248-A378 HydrophobicContact CD2-CB 4.19Å; W248-A378 HydrophobicContact CE3-CB 3.95Å; W248-A378 HydrophobicContact CH2-CB 4.08Å; W248-A378 HydrophobicContact CZ2-CB 4.32Å; W248-A378 HydrophobicContact CZ3-CB 3.88Å; W248-I379 HydrophobicContact CH2-CG1 3.92Å; W248-V382 HydrophobicContact CE3-CG2 4.07Å; W248-V382 HydrophobicContact CZ3-CG2 3.72Å
249G97.4Very high97.5Very high0 Ų031.3 Ų31.30%015%0.146CC..G310 helixtrans-59.2-26.9178.300000112.3E247 F251 Q278 C279 F280 D281E247-G249 PolarHBondContact O-N 2.92Å; E247-G249 VanDerWaalsContact O-N 3.09Å; G249-F251 VanDerWaalsContact C-N 3.3Å; G249-F251 PolarHBondContact O-N 3.44Å; G249-Q278 CarbonylContact O-C 3.58Å; G249-Q278 WeakPolarHBondContact O-CA 3.2Å; G249-C279 PolarHBondContact O-N 3.23Å; G249-F280 WeakPolarHBondContact O-CA 3.19Å; G249-F280 VanDerWaalsContact O-CB 3.26Å; G249-F280 WeakPolarHBondContact O-CB 3.27Å; G249-F280 PolarHBondContact O-N 3.26Å; G249-D281 PolarHBondContact O-N 3.05Å
250G96.9Very high97.6Very high0 Ų028.5 Ų28.50%014%0.136CC..G310 helixtrans-74.7-8.7174.700000115.3T47 E247 W248 G252 D253T47-G250 VanDerWaalsContact CB-O 3.29Å; T47-G250 WeakPolarHBondContact CB-O 3.22Å; E247-G250 PolarHBondContact O-N 3.25Å; W248-G250 PolarHBondContact O-N 3.07Å; G250-G252 PolarHBondContact O-N 3.4Å; G250-G252 VanDerWaalsContact O-N 3.13Å; G250-D253 VanDerWaalsContact O-CB 3.31Å; G250-D253 WeakPolarHBondContact O-CB 3.32Å; G250-D253 PolarHBondContact O-N 3.31Å
251F98.5Very high97.6Very high1 Ų123.2 Ų23.20%0.00411%0.11CC..THydrogen-bonded Turntrans-58121.4-178.2176.6-101.7000111.5M27 V30 L31 Q34 V48 W248 G249 E256 A257 I260 F280M27-F251 HydrophobicContact CE-CD1 4.46Å; M27-F251 HydrophobicContact CE-CE1 4.36Å; M27-F251 HydrophobicContact CG-CE1 3.68Å; M27-F251 HydrophobicContact CG-CZ 3.97Å; M27-F251 HydrophobicContact SD-CE1 4.5Å; V30-F251 HydrophobicContact CB-CE2 4.17Å; V30-F251 HydrophobicContact CB-CZ 4.26Å; V30-F251 HydrophobicContact CG1-CE2 3.82Å; V30-F251 HydrophobicContact CG1-CZ 4.19Å; L31-F251 HydrophobicContact CB-CD2 4.31Å; L31-F251 HydrophobicContact CB-CE2 4.07Å; L31-F251 HydrophobicContact CD1-CB 4.29Å; L31-F251 HydrophobicContact CD1-CD2 3.86Å; L31-F251 HydrophobicContact CD1-CE2 4.46Å; L31-F251 HydrophobicContact CD1-CG 4.16Å; Q34-F251 HydrophobicContact CG-CD2 4.3Å; Q34-F251 HydrophobicContact CG-CE2 4.45Å; V48-F251 HydrophobicContact CG2-CB 4.07Å; V48-F251 HydrophobicContact CG2-CD2 4.41Å; W248-F251 VanDerWaalsContact O-CB 3.25Å; W248-F251 WeakPolarHBondContact O-CB 3.32Å; W248-F251 PolarHBondContact O-N 3.13Å; G249-F251 VanDerWaalsContact C-N 3.3Å; G249-F251 PolarHBondContact O-N 3.44Å; F251-E256 HydrophobicContact CD2-CG 4.06Å; F251-E256 HydrophobicContact CE2-CG 3.83Å; F251-E256 HydrophobicContact CZ-CG 4.46Å; F251-A257 HydrophobicContact CD1-CB 3.88Å; F251-A257 HydrophobicContact CE1-CB 3.45Å; F251-A257 VanDerWaalsContact CE1-CB 3.45Å; F251-A257 HydrophobicContact CZ-CB 3.98Å; F251-I260 HydrophobicContact CE1-CD1 4.18Å; F251-F280 HydrophobicContact CB-CB 3.99Å; F251-F280 HydrophobicContact CB-CG 4.31Å; F251-F280 AromaticContact CD1-CD2 3.96Å; F251-F280 HydrophobicContact CD1-CD2 3.96Å; F251-F280 HydrophobicContact CD1-CG 4.47Å; F251-F280 WeakPolarHBondContact O-CB 3.22Å; F251-F280 PolarHBondContact O-N 3.16Å
252G97.6Very high97.7Very high0 Ų020.9 Ų20.90%010%0.1CC..THydrogen-bonded Turntrans101.6-2.8-17700000115.6G250 R254 G255 E256 A257 K261G250-G252 PolarHBondContact O-N 3.4Å; G250-G252 VanDerWaalsContact O-N 3.13Å; G252-R254 PolarHBondContact O-N 3.03Å; G252-G255 PolarHBondContact O-N 3.43Å; G252-E256 VanDerWaalsContact CA-CD 3.46Å; G252-E256 WeakPolarHBondContact CA-OE1 3.46Å; G252-E256 PolarHBondContact N-OE1 2.94Å; G252-A257 VanDerWaalsContact CA-CB 3.43Å; G252-K261 PolarHBondContact O-NZ 2.83Å
253D97.4Very high97.6Very high39 Ų3923.9 Ų23.921%0.20912%0.115CC..THydrogen-bonded Turntrans-63.9-23179.4-73.71.2000112.9T47 G250 G276 V277 Q278 C279T47-D253 HydrophobicContact CG2-CB 3.78Å; G250-D253 VanDerWaalsContact O-CB 3.31Å; G250-D253 WeakPolarHBondContact O-CB 3.32Å; G250-D253 PolarHBondContact O-N 3.31Å; D253-G276 WeakPolarHBondContact CB-O 3.32Å; D253-V277 WeakPolarHBondContact OD2-CA 3.5Å; D253-Q278 PolarHBondContact OD1-N 3.43Å; D253-Q278 PolarHBondContact OD2-N 3.08Å; D253-C279 WeakPolarHBondContact OD1-CB 3.26Å; D253-C279 PolarHBondContact OD1-N 2.87Å; D253-C279 PolarHBondContact OD1-SG 2.95Å
254R96.8Very high97.6Very high151 Ų15124.1 Ų24.157%0.5712%0.115SC*.THydrogen-bonded Turntrans-109.518.7177.2-67.5178.4-171.5-177.32.9113L43 K44 T47 G252 E256L43-R254 PolarHBondContact O-NH2 3.16Å; K44-R254 PolarHBondContact O-NH1 2.92Å; K44-R254 PolarHBondContact O-NH2 3.34Å; T47-R254 HydrophobicContact CG2-CB 3.91Å; T47-R254 HydrophobicContact CG2-CG 3.51Å; G252-R254 PolarHBondContact O-N 3.03Å; R254-E256 VanDerWaalsContact C-N 3.33Å; R254-E256 VanDerWaalsContact CA-OE2 3.26Å; R254-E256 WeakPolarHBondContact CA-OE2 3.37Å; R254-E256 WeakPolarHBondContact CB-OE2 3.48Å; R254-E256 PolarHBondContact N-OE2 3.33Å
255G96.4Very high97.6Very high33 Ų3324.3 Ų24.334%0.3412%0.117SC..SBendtrans80.98.4177.400000114.9G252 A257 E258G252-G255 PolarHBondContact O-N 3.43Å; G255-A257 PolarHBondContact O-N 3.07Å; G255-E258 VanDerWaalsContact O-CG 3.23Å; G255-E258 WeakPolarHBondContact O-CG 3.38Å; G255-E258 PolarHBondContact O-N 3.28Å
256E95.7Very high97.6Very high30 Ų3029.4 Ų29.414%0.1414%0.135CC..THydrogen-bonded Turntrans-70-15.917771.6-84.2-161.300113.1V30 Q34 T47 F251 G252 R254 F259V30-E256 HydrophobicContact CG1-CB 3.81Å; V30-E256 HydrophobicContact CG1-CG 4.04Å; Q34-E256 HydrophobicContact CG-CG 4.22Å; T47-E256 WeakPolarHBondContact CB-OE1 3.49Å; T47-E256 WeakPolarHBondContact CG2-OE1 3.48Å; T47-E256 PolarHBondContact OG1-OE1 3.41Å; F251-E256 HydrophobicContact CD2-CG 4.06Å; F251-E256 HydrophobicContact CE2-CG 3.83Å; F251-E256 HydrophobicContact CZ-CG 4.46Å; G252-E256 VanDerWaalsContact CA-CD 3.46Å; G252-E256 WeakPolarHBondContact CA-OE1 3.46Å; G252-E256 PolarHBondContact N-OE1 2.94Å; R254-E256 VanDerWaalsContact C-N 3.33Å; R254-E256 VanDerWaalsContact CA-OE2 3.26Å; R254-E256 WeakPolarHBondContact CA-OE2 3.37Å; R254-E256 WeakPolarHBondContact CB-OE2 3.48Å; R254-E256 PolarHBondContact N-OE2 3.33Å; E256-F259 VanDerWaalsContact O-CE1 3.26Å; E256-F259 WeakPolarHBondContact O-CE1 3.33Å
257A96.7Very high97.6Very high0 Ų032 Ų320%015%0.149CC..THydrogen-bonded Turntrans-109.115.2178.700000113.7F251 G252 G255 F259 I260 M283F251-A257 HydrophobicContact CD1-CB 3.88Å; F251-A257 HydrophobicContact CE1-CB 3.45Å; F251-A257 VanDerWaalsContact CE1-CB 3.45Å; F251-A257 HydrophobicContact CZ-CB 3.98Å; G252-A257 VanDerWaalsContact CA-CB 3.43Å; G255-A257 PolarHBondContact O-N 3.07Å; A257-F259 PolarHBondContact O-N 3.46Å; A257-F259 VanDerWaalsContact O-N 3.08Å; A257-I260 HydrophobicContact CB-CD1 4.13Å; A257-I260 HydrophobicContact CB-CG1 3.99Å; A257-I260 WeakPolarHBondContact O-CG1 3.46Å; A257-I260 PolarHBondContact O-N 3.41Å; A257-I260 VanDerWaalsContact O-N 3.08Å; A257-M283 HydrophobicContact CB-CE 4.46Å
258E97.4Very high97.7Very high70 Ų7032 Ų3233%0.32715%0.149SC..G310 helixtrans-58.2-28.5-174.2-73.6-57.6118.500114G255 I260 K261 R266G255-E258 VanDerWaalsContact O-CG 3.23Å; G255-E258 WeakPolarHBondContact O-CG 3.38Å; G255-E258 PolarHBondContact O-N 3.28Å; E258-I260 PolarHBondContact O-N 2.69Å; E258-K261 PolarHBondContact O-N 2.62Å; E258-K261 WeakPolarHBondContact OE1-CD 3.39Å; E258-K261 WeakPolarHBondContact OE1-CE 3.44Å; E258-K261 IonicContact OE1-NZ 2.74Å; E258-K261 PolarHBondContact OE1-NZ 2.85Å; E258-R266 IonicContact OE2-CZ 2.61Å; E258-R266 IonicContact OE2-NH1 3.49Å; E258-R266 PolarHBondContact OE2-NH1 3.06Å; E258-R266 IonicContact OE2-NH2 2.87Å; E258-R266 PolarHBondContact OE2-NH2 2.85Å
259F97.4Very high97.6Very high52 Ų5233.3 Ų33.323%0.22816%0.156CC..G310 helixtrans-74.4-8.9-178.964.8-87.7000114.4R26 M27 V30 E256 A257R26-F259 HydrophobicContact CB-CE2 3.93Å; R26-F259 HydrophobicContact CB-CZ 4.15Å; R26-F259 HydrophobicContact CG-CD2 4.41Å; R26-F259 HydrophobicContact CG-CE1 4.17Å; R26-F259 HydrophobicContact CG-CE2 3.76Å; R26-F259 HydrophobicContact CG-CZ 3.64Å; M27-F259 HydrophobicContact CB-CE2 4.34Å; M27-F259 HydrophobicContact CB-CZ 4.21Å; V30-F259 HydrophobicContact CG2-CE1 4.49Å; E256-F259 VanDerWaalsContact O-CE1 3.26Å; E256-F259 WeakPolarHBondContact O-CE1 3.33Å; A257-F259 PolarHBondContact O-N 3.46Å; A257-F259 VanDerWaalsContact O-N 3.08Å
260I98.1Very high97.6Very high5 Ų536.6 Ų36.63%0.02618%0.183CC..G310 helixtrans-113.2-0.8174.259166000113.4L19 M27 F251 A257 E258 M283 L374L19-I260 HydrophobicContact CD1-CB 4.21Å; L19-I260 HydrophobicContact CD1-CG2 4.09Å; L19-I260 HydrophobicContact CD2-CB 4.34Å; L19-I260 HydrophobicContact CD2-CG2 4.06Å; M27-I260 HydrophobicContact CG-CD1 4.33Å; M27-I260 HydrophobicContact SD-CD1 3.97Å; F251-I260 HydrophobicContact CE1-CD1 4.18Å; A257-I260 HydrophobicContact CB-CD1 4.13Å; A257-I260 HydrophobicContact CB-CG1 3.99Å; A257-I260 WeakPolarHBondContact O-CG1 3.46Å; A257-I260 PolarHBondContact O-N 3.41Å; A257-I260 VanDerWaalsContact O-N 3.08Å; E258-I260 PolarHBondContact O-N 2.69Å; I260-M283 HydrophobicContact CD1-CE 3.78Å; I260-M283 HydrophobicContact CD1-SD 4.14Å; I260-M283 HydrophobicContact CG1-CE 4.24Å; I260-M283 HydrophobicContact CG1-SD 4.14Å; I260-L374 HydrophobicContact CB-CD2 4.47Å; I260-L374 HydrophobicContact CD1-CD2 3.66Å
261K98Very high97.6Very high36 Ų3644 Ų4416%0.15721%0.211CC..  trans-87.4125.6179.9-71.4-177.5-172.3170.90110.8G252 E258 M283G252-K261 PolarHBondContact O-NZ 2.83Å; E258-K261 PolarHBondContact O-N 2.62Å; E258-K261 WeakPolarHBondContact OE1-CD 3.39Å; E258-K261 WeakPolarHBondContact OE1-CE 3.44Å; E258-K261 IonicContact OE1-NZ 2.74Å; E258-K261 PolarHBondContact OE1-NZ 2.85Å; K261-M283 HydrophobicContact CG-SD 3.78Å
262T98.4Very high97.3Very high4 Ų444.8 Ų44.83%0.02522%0.217CC..  trans-79.5168.9170.169.70000111.4E16 F17 Y264 D265 R266E16-T262 HydrophobicContact CB-CG2 3.74Å; E16-T262 VanDerWaalsContact O-CG2 3.23Å; E16-T262 WeakPolarHBondContact O-CG2 3.21Å; F17-T262 HydrophobicContact CD1-CG2 3.94Å; F17-T262 HydrophobicContact CE1-CG2 4.01Å; F17-T262 HydrophobicContact CG-CG2 4.21Å; F17-T262 HydrophobicContact CZ-CG2 4.36Å; T262-Y264 PolarHBondContact O-N 3.36Å; T262-Y264 PolarHBondContact OG1-N 3.06Å; T262-D265 WeakPolarHBondContact CB-OD2 3.2Å; T262-D265 WeakPolarHBondContact CG2-OD2 3.5Å; T262-D265 PolarHBondContact N-OD2 2.88Å; T262-D265 PolarHBondContact O-N 3.3Å; T262-D265 VanDerWaalsContact OG1-CG 3.23Å; T262-D265 PolarHBondContact OG1-N 3.08Å; T262-D265 VanDerWaalsContact OG1-N 3.1Å; T262-D265 PolarHBondContact OG1-OD2 3.46Å; T262-R266 WeakPolarHBondContact O-CG 3.46Å; T262-R266 PolarHBondContact O-N 2.92Å
263Q97.8Very high96.9Very high64 Ų6449.1 Ų49.130%0.29924%0.244SC..Hα-helixtrans-59.6-29.7169.372.8-168.6-35.900112.3E16 R266 I267 K299E16-Q263 VanDerWaalsContact OE1-CD 3.25Å; E16-Q263 PolarHBondContact OE1-NE2 2.96Å; E16-Q263 WeakPolarHBondContact OE2-CG 3.39Å; E16-Q263 PolarHBondContact OE2-N 2.83Å; Q263-R266 WeakPolarHBondContact O-CB 3.4Å; Q263-R266 PolarHBondContact O-N 3.31Å; Q263-I267 WeakPolarHBondContact O-CG1 3.39Å; Q263-I267 PolarHBondContact O-N 3.35Å; Q263-K299 VanDerWaalsContact OE1-NZ 3.11Å
264Y98.5Very high96.6Very high4 Ų449.3 Ų49.32%0.01624%0.243CC..Hα-helixtrans-73.1-41.1-178.1-55.7-78.3000111.3V13 F17 T262 R266 I267 V268 L295 V296 K299V13-Y264 WeakPolarHBondContact CG1-OH 3.2Å; F17-Y264 HydrophobicContact CE1-CD2 4.49Å; F17-Y264 AromaticContact CE2-CD2 3.48Å; F17-Y264 HydrophobicContact CE2-CD2 3.48Å; F17-Y264 VanDerWaalsContact CE2-CD2 3.48Å; F17-Y264 AromaticContact CE2-CE2 3.67Å; F17-Y264 HydrophobicContact CE2-CE2 3.67Å; F17-Y264 HydrophobicContact CE2-CG 4.38Å; F17-Y264 AromaticContact CZ-CD2 3.37Å; F17-Y264 HydrophobicContact CZ-CD2 3.37Å; F17-Y264 HydrophobicContact CZ-CE2 4.04Å; F17-Y264 AromaticContact CZ-CG 3.9Å; F17-Y264 HydrophobicContact CZ-CG 3.9Å; T262-Y264 PolarHBondContact O-N 3.36Å; T262-Y264 PolarHBondContact OG1-N 3.06Å; Y264-R266 PolarHBondContact O-N 3.24Å; Y264-I267 PolarHBondContact O-N 3.48Å; Y264-I267 VanDerWaalsContact O-N 3.11Å; Y264-V268 WeakPolarHBondContact O-CG2 3.37Å; Y264-V268 PolarHBondContact O-N 3.32Å; Y264-L295 HydrophobicContact CD1-CB 3.73Å; Y264-L295 HydrophobicContact CE1-CB 4.33Å; Y264-V296 HydrophobicContact CD1-CG2 4.03Å; Y264-V296 HydrophobicContact CD2-CG2 4.05Å; Y264-V296 HydrophobicContact CE1-CB 4.43Å; Y264-V296 HydrophobicContact CE1-CG2 3.83Å; Y264-V296 HydrophobicContact CE2-CG2 3.87Å; Y264-V296 HydrophobicContact CG-CG2 4.1Å; Y264-K299 HydrophobicContact CE1-CB 4.4Å; Y264-K299 HydrophobicContact CE1-CD 4.26Å; Y264-K299 WeakPolarHBondContact OH-CD 3.31Å
265D98.6Very high96.5Very high5 Ų545.8 Ų45.83%0.02724%0.239CC..Hα-helixtrans-59-37.3174.6-57.4-60.1000110.6T262 V268 D269 M283 L292 R370T262-D265 WeakPolarHBondContact CB-OD2 3.2Å; T262-D265 WeakPolarHBondContact CG2-OD2 3.5Å; T262-D265 PolarHBondContact N-OD2 2.88Å; T262-D265 PolarHBondContact O-N 3.3Å; T262-D265 VanDerWaalsContact OG1-CG 3.23Å; T262-D265 PolarHBondContact OG1-N 3.08Å; T262-D265 VanDerWaalsContact OG1-N 3.1Å; T262-D265 PolarHBondContact OG1-OD2 3.46Å; D265-V268 PolarHBondContact O-N 2.91Å; D265-D269 VanDerWaalsContact O-CB 3.27Å; D265-D269 WeakPolarHBondContact O-CB 3.26Å; D265-D269 PolarHBondContact O-N 3.33Å; D265-M283 HydrophobicContact CB-CG 4.23Å; D265-L292 WeakPolarHBondContact OD1-CD2 3.4Å; D265-R370 IonicContact OD1-CZ 3.73Å; D265-R370 IonicContact OD1-NH1 3.38Å; D265-R370 PolarHBondContact OD1-NH1 2.94Å; D265-R370 IonicContact OD1-NH2 2.71Å; D265-R370 PolarHBondContact OD1-NH2 3.21Å; D265-R370 IonicContact OD2-NH1 2.74Å; D265-R370 PolarHBondContact OD2-NH1 3.4Å
266R98.3Very high96.5Very high113 Ų11345.7 Ų45.743%0.42624%0.239SC..Hα-helixtrans-65.5-40.5175.6-61.5173-169.1-73.5-6.5112.6E258 T262 Q263 Y264 A270E258-R266 IonicContact OE2-CZ 2.61Å; E258-R266 IonicContact OE2-NH1 3.49Å; E258-R266 PolarHBondContact OE2-NH1 3.06Å; E258-R266 IonicContact OE2-NH2 2.87Å; E258-R266 PolarHBondContact OE2-NH2 2.85Å; T262-R266 WeakPolarHBondContact O-CG 3.46Å; T262-R266 PolarHBondContact O-N 2.92Å; Q263-R266 WeakPolarHBondContact O-CB 3.4Å; Q263-R266 PolarHBondContact O-N 3.31Å; Y264-R266 PolarHBondContact O-N 3.24Å; R266-A270 VanDerWaalsContact O-CB 3.28Å; R266-A270 WeakPolarHBondContact O-CB 3.46Å; R266-A270 PolarHBondContact O-N 2.95Å
267I98.3Very high96.4Very high56 Ų5645.8 Ų45.829%0.28724%0.241SC..Hα-helixtrans-66.3-46.3177-66.5166.1000110.2Q263 Y264 D269 A270 R271 L295Q263-I267 WeakPolarHBondContact O-CG1 3.39Å; Q263-I267 PolarHBondContact O-N 3.35Å; Y264-I267 PolarHBondContact O-N 3.48Å; Y264-I267 VanDerWaalsContact O-N 3.11Å; I267-D269 VanDerWaalsContact C-N 3.35Å; I267-A270 PolarHBondContact O-N 3.47Å; I267-R271 WeakPolarHBondContact O-CB 3.25Å; I267-R271 WeakPolarHBondContact O-CG 3.32Å; I267-R271 PolarHBondContact O-N 3.18Å; I267-R271 VanDerWaalsContact O-N 3.12Å; I267-L295 HydrophobicContact CB-CD1 4.05Å; I267-L295 HydrophobicContact CG2-CD1 3.73Å; I267-L295 HydrophobicContact CG2-CD2 3.92Å
268V98.3Very high96.4Very high7 Ų746.5 Ų46.54%0.04225%0.245CC..Hα-helixtrans-60.5-45.8177.8170.40000110.8Y264 D265 R271 S272 K282 Y288 E291 L292 L295Y264-V268 WeakPolarHBondContact O-CG2 3.37Å; Y264-V268 PolarHBondContact O-N 3.32Å; D265-V268 PolarHBondContact O-N 2.91Å; V268-R271 PolarHBondContact O-N 2.82Å; V268-S272 WeakPolarHBondContact O-CB 3.38Å; V268-S272 PolarHBondContact O-N 3.31Å; V268-S272 VanDerWaalsContact O-N 3.09Å; V268-K282 HydrophobicContact CG1-CB 4.44Å; V268-K282 HydrophobicContact CG1-CG 4.44Å; V268-Y288 HydrophobicContact CG1-CD1 3.56Å; V268-Y288 HydrophobicContact CG1-CE1 4.39Å; V268-Y288 HydrophobicContact CG1-CG 4.16Å; V268-E291 HydrophobicContact CG2-CB 4.35Å; V268-E291 HydrophobicContact CG2-CG 3.82Å; V268-L292 HydrophobicContact CG2-CD2 3.78Å; V268-L292 HydrophobicContact CG2-CG 4.07Å; V268-L295 HydrophobicContact CG2-CD1 3.6Å
269D97.5Very high96.4Very high30 Ų3043.4 Ų43.416%0.1623%0.231CC..Hα-helixtrans-60.5-52.3178.2-179.648.9000112D265 I267 R271 S272 P275 G276 K282D265-D269 VanDerWaalsContact O-CB 3.27Å; D265-D269 WeakPolarHBondContact O-CB 3.26Å; D265-D269 PolarHBondContact O-N 3.33Å; I267-D269 VanDerWaalsContact C-N 3.35Å; D269-R271 PolarHBondContact O-N 2.91Å; D269-S272 WeakPolarHBondContact O-CB 3.35Å; D269-S272 PolarHBondContact O-N 3.32Å; D269-S272 VanDerWaalsContact O-N 3.1Å; D269-S272 PolarHBondContact O-OG 3.2Å; D269-P275 WeakPolarHBondContact O-CA 3.43Å; D269-G276 PolarHBondContact OD1-N 3.03Å; D269-G276 PolarHBondContact OD2-N 2.98Å; D269-G276 VanDerWaalsContact OD2-N 3.16Å; D269-K282 HydrophobicContact CB-CD 4.11Å; D269-K282 WeakPolarHBondContact OD1-CD 3.45Å; D269-K282 IonicContact OD1-NZ 2.81Å; D269-K282 PolarHBondContact OD1-NZ 3.42Å
270A97.7Very high96.4Very high69 Ų6941 Ų4157%0.5722%0.22SC*.Hα-helixtrans-61.5-27.7-178.600000113.8R266 I267R266-A270 VanDerWaalsContact O-CB 3.28Å; R266-A270 WeakPolarHBondContact O-CB 3.46Å; R266-A270 PolarHBondContact O-N 2.95Å; I267-A270 PolarHBondContact O-N 3.47Å
271R95.6Very high96.4Very high154 Ų15440.9 Ų40.958%0.58122%0.22SC*.Hα-helixtrans-95.1-5.3179.2-66.2177.8-178.6179.41.4113.9I267 V268 D269I267-R271 WeakPolarHBondContact O-CB 3.25Å; I267-R271 WeakPolarHBondContact O-CG 3.32Å; I267-R271 PolarHBondContact O-N 3.18Å; I267-R271 VanDerWaalsContact O-N 3.12Å; V268-R271 PolarHBondContact O-N 2.82Å; D269-R271 PolarHBondContact O-N 2.91Å
272S92.9Very high96.3Very high19 Ų1939.3 Ų39.313%0.13321%0.213CC..SBendtrans-74.4164.9-178.472.90000112.4V268 D269 H274 P275 K282V268-S272 WeakPolarHBondContact O-CB 3.38Å; V268-S272 PolarHBondContact O-N 3.31Å; V268-S272 VanDerWaalsContact O-N 3.09Å; D269-S272 WeakPolarHBondContact O-CB 3.35Å; D269-S272 PolarHBondContact O-N 3.32Å; D269-S272 VanDerWaalsContact O-N 3.1Å; D269-S272 PolarHBondContact O-OG 3.2Å; S272-H274 PolarHBondContact O-N 3.47Å; S272-H274 PolarHBondContact OG-O 3.36Å; S272-P275 WeakPolarHBondContact O-CD 3.41Å; S272-K282 WeakPolarHBondContact OG-CE 3.47Å; S272-K282 PolarHBondContact OG-NZ 3.47Å
273V88.8Confident96.3Very high91 Ų9139.3 Ų39.355%0.55221%0.212SC*.SBendtrans-58.6-30.8175.1-1780000112
274H90.5Very high96.4Very high43 Ų4336.3 Ų36.320%0.19920%0.199CC..SBendtrans-129.880.8-179.1-50.3-68.3000110.6S272 V277 K282S272-H274 PolarHBondContact O-N 3.47Å; S272-H274 PolarHBondContact OG-O 3.36Å; H274-V277 HydrophobicContact CB-CB 3.98Å; H274-V277 HydrophobicContact CB-CG1 4.4Å; H274-V277 PolarHBondContact O-N 3.07Å; H274-K282 PolarHBondContact O-NZ 3Å
275P95.3Very high96.3Very high76 Ų7636.1 Ų36.149%0.49420%0.198SC..THydrogen-bonded Turntrans-60.7139.9177.7-23.935.7000112.5D269 S272 V277D269-P275 WeakPolarHBondContact O-CA 3.43Å; S272-P275 WeakPolarHBondContact O-CD 3.41Å; P275-V277 PolarHBondContact O-N 2.66Å
276G95.7Very high96.2Very high32 Ų3236.5 Ų36.533%0.3320%0.203SC..THydrogen-bonded Turntrans71.710.8-179.200000115.1D253 D269D253-G276 WeakPolarHBondContact CB-O 3.32Å; D269-G276 PolarHBondContact OD1-N 3.03Å; D269-G276 PolarHBondContact OD2-N 2.98Å; D269-G276 VanDerWaalsContact OD2-N 3.16Å
277V95Very high96Very high31 Ų3134.7 Ų34.719%0.18820%0.2CC..SBendtrans-125.3137.1-177.4177.50000110.2D253 H274 P275 K282D253-V277 WeakPolarHBondContact OD2-CA 3.5Å; H274-V277 HydrophobicContact CB-CB 3.98Å; H274-V277 HydrophobicContact CB-CG1 4.4Å; H274-V277 PolarHBondContact O-N 3.07Å; P275-V277 PolarHBondContact O-N 2.66Å; V277-K282 WeakPolarHBondContact O-CE 3.35Å; V277-K282 PolarHBondContact O-NZ 2.68Å
278Q95.4Very high95.9Very high15 Ų1533.2 Ų33.27%0.0719%0.191CC..SBendtrans56.546.3-176.1-58.7-67.1107.200113.2T157 G249 D253 F280 D281 K282T157-Q278 HydrophobicContact CG2-CG 3.84Å; G249-Q278 CarbonylContact O-C 3.58Å; G249-Q278 WeakPolarHBondContact O-CA 3.2Å; D253-Q278 PolarHBondContact OD1-N 3.43Å; D253-Q278 PolarHBondContact OD2-N 3.08Å; Q278-F280 PolarHBondContact O-N 3.43Å; Q278-D281 HydrophobicContact CB-CB 4.01Å; Q278-D281 PolarHBondContact NE2-OD2 3.04Å; Q278-D281 WeakPolarHBondContact O-CB 3.24Å; Q278-D281 PolarHBondContact O-N 3.24Å; Q278-K282 PolarHBondContact O-N 3.45Å
279C97.5Very high95.9Very high5 Ų533 Ų333%0.03419%0.19CC..Hα-helixtrans-58.2-34.9-179.2-71.20000113.1G249 D253 K282 M283G249-C279 PolarHBondContact O-N 3.23Å; D253-C279 WeakPolarHBondContact OD1-CB 3.26Å; D253-C279 PolarHBondContact OD1-N 2.87Å; D253-C279 PolarHBondContact OD1-SG 2.95Å; C279-K282 PolarHBondContact O-N 3.03Å; C279-M283 WeakPolarHBondContact O-CG 3.24Å; C279-M283 PolarHBondContact O-N 3.31Å
280F98.5Very high96Very high1 Ų131.7 Ų31.70%0.00418%0.183CC..Hα-helixtrans-71.3-37.1179.1-167.2-114.8000111.9M27 T218 W248 G249 F251 Q278 K282 M283 V284 L374 A378M27-F280 HydrophobicContact CE-CD2 4.13Å; M27-F280 HydrophobicContact CE-CE1 4.49Å; M27-F280 HydrophobicContact CE-CE2 3.18Å; M27-F280 HydrophobicContact CE-CZ 3.41Å; M27-F280 VanDerWaalsContact CE-CZ 3.41Å; M27-F280 HydrophobicContact SD-CE2 4.15Å; T218-F280 HydrophobicContact CG2-CD1 3.74Å; T218-F280 HydrophobicContact CG2-CE1 3.93Å; W248-F280 AromaticContact CD1-CD1 3.87Å; W248-F280 HydrophobicContact CG-CD1 4.46Å; W248-F280 WeakPolarHBondContact O-CB 3.17Å; G249-F280 WeakPolarHBondContact O-CA 3.19Å; G249-F280 VanDerWaalsContact O-CB 3.26Å; G249-F280 WeakPolarHBondContact O-CB 3.27Å; G249-F280 PolarHBondContact O-N 3.26Å; F251-F280 HydrophobicContact CB-CB 3.99Å; F251-F280 HydrophobicContact CB-CG 4.31Å; F251-F280 AromaticContact CD1-CD2 3.96Å; F251-F280 HydrophobicContact CD1-CD2 3.96Å; F251-F280 HydrophobicContact CD1-CG 4.47Å; F251-F280 WeakPolarHBondContact O-CB 3.22Å; F251-F280 PolarHBondContact O-N 3.16Å; Q278-F280 PolarHBondContact O-N 3.43Å; F280-K282 PolarHBondContact O-N 2.87Å; F280-M283 HydrophobicContact CD2-CE 3.89Å; F280-M283 PolarHBondContact O-N 3.3Å; F280-M283 VanDerWaalsContact O-N 3.13Å; F280-V284 HydrophobicContact CD1-CG2 4.42Å; F280-V284 HydrophobicContact CD2-CG2 4.25Å; F280-V284 HydrophobicContact CE1-CG2 4.03Å; F280-V284 HydrophobicContact CE2-CG2 3.81Å; F280-V284 HydrophobicContact CZ-CG2 3.69Å; F280-V284 PolarHBondContact O-N 3.44Å; F280-V284 VanDerWaalsContact O-N 3.15Å; F280-L374 HydrophobicContact CE2-CB 3.99Å; F280-L374 HydrophobicContact CZ-CB 4.2Å; F280-A378 HydrophobicContact CE1-CB 4.02Å; F280-A378 HydrophobicContact CZ-CB 3.93Å
281D96.8Very high96Very high4 Ų429.3 Ų29.32%0.02116%0.16CC..Hα-helixtrans-55.3-44.3170.7-77.3-17.4000111T218 G249 Q278 M283 V284 A285 Y288T218-D281 WeakPolarHBondContact CG2-OD1 3.23Å; T218-D281 PolarHBondContact N-OD1 3.37Å; G249-D281 PolarHBondContact O-N 3.05Å; Q278-D281 HydrophobicContact CB-CB 4.01Å; Q278-D281 PolarHBondContact NE2-OD2 3.04Å; Q278-D281 WeakPolarHBondContact O-CB 3.24Å; Q278-D281 PolarHBondContact O-N 3.24Å; D281-M283 PolarHBondContact O-N 3.4Å; D281-V284 PolarHBondContact O-N 2.96Å; D281-A285 HydrophobicContact CB-CB 4.48Å; D281-A285 VanDerWaalsContact O-CB 3.23Å; D281-A285 WeakPolarHBondContact O-CB 3.41Å; D281-A285 PolarHBondContact O-N 3.23Å; D281-Y288 HydrophobicContact CB-CE2 4.18Å; D281-Y288 WeakPolarHBondContact O-CD2 3.25Å
282K97.8Very high96.1Very high3 Ų322 Ų221%0.01313%0.133CC..Hα-helixtrans-64.1-27.6-179.3-71.1157.7175.6166.40114V268 D269 S272 H274 V277 Q278 C279 F280 Y288 L292V268-K282 HydrophobicContact CG1-CB 4.44Å; V268-K282 HydrophobicContact CG1-CG 4.44Å; D269-K282 HydrophobicContact CB-CD 4.11Å; D269-K282 WeakPolarHBondContact OD1-CD 3.45Å; D269-K282 IonicContact OD1-NZ 2.81Å; D269-K282 PolarHBondContact OD1-NZ 3.42Å; S272-K282 WeakPolarHBondContact OG-CE 3.47Å; S272-K282 PolarHBondContact OG-NZ 3.47Å; H274-K282 PolarHBondContact O-NZ 3Å; V277-K282 WeakPolarHBondContact O-CE 3.35Å; V277-K282 PolarHBondContact O-NZ 2.68Å; Q278-K282 PolarHBondContact O-N 3.45Å; C279-K282 PolarHBondContact O-N 3.03Å; F280-K282 PolarHBondContact O-N 2.87Å; K282-Y288 VanDerWaalsContact CA-CD2 3.41Å; K282-Y288 HydrophobicContact CB-CD1 4.49Å; K282-Y288 HydrophobicContact CB-CD2 4.2Å; K282-Y288 HydrophobicContact CB-CE2 4.47Å; K282-Y288 HydrophobicContact CB-CG 4.18Å; K282-Y288 HydrophobicContact CG-CD1 3.85Å; K282-Y288 HydrophobicContact CG-CD2 3.84Å; K282-Y288 HydrophobicContact CG-CE1 3.71Å; K282-Y288 HydrophobicContact CG-CE2 3.67Å; K282-Y288 HydrophobicContact CG-CG 3.9Å; K282-Y288 WeakPolarHBondContact O-CB 3.35Å; K282-L292 WeakPolarHBondContact O-CD1 3.13Å
283M98.5Very high96.4Very high3 Ų321.1 Ų21.12%0.01513%0.126CC..Hα-helixtrans-85.7-22.7178.4-70.3-170.2-6900113.7A257 I260 K261 D265 C279 F280 D281 R370 L374A257-M283 HydrophobicContact CB-CE 4.46Å; I260-M283 HydrophobicContact CD1-CE 3.78Å; I260-M283 HydrophobicContact CD1-SD 4.14Å; I260-M283 HydrophobicContact CG1-CE 4.24Å; I260-M283 HydrophobicContact CG1-SD 4.14Å; K261-M283 HydrophobicContact CG-SD 3.78Å; D265-M283 HydrophobicContact CB-CG 4.23Å; C279-M283 WeakPolarHBondContact O-CG 3.24Å; C279-M283 PolarHBondContact O-N 3.31Å; F280-M283 HydrophobicContact CD2-CE 3.89Å; F280-M283 PolarHBondContact O-N 3.3Å; F280-M283 VanDerWaalsContact O-N 3.13Å; D281-M283 PolarHBondContact O-N 3.4Å; M283-R370 VanDerWaalsContact CB-NH1 3.26Å; M283-R370 PolarHBondContact O-NE 3.14Å; M283-R370 PolarHBondContact O-NH1 2.92Å; M283-L374 HydrophobicContact CB-CD1 3.79Å; M283-L374 HydrophobicContact SD-CD1 4.44Å
284V98.5Very high96.9Very high1 Ų116.8 Ų16.81%0.00610%0.1CC..Hα-helixtrans-119-45.5-168.7178.40000112.7V214 T218 F280 D281 M289 S371 L374 C375V214-V284 HydrophobicContact CG1-CG1 4.34Å; T218-V284 HydrophobicContact CG2-CB 3.8Å; T218-V284 HydrophobicContact CG2-CG1 3.9Å; T218-V284 HydrophobicContact CG2-CG2 4.45Å; F280-V284 HydrophobicContact CD1-CG2 4.42Å; F280-V284 HydrophobicContact CD2-CG2 4.25Å; F280-V284 HydrophobicContact CE1-CG2 4.03Å; F280-V284 HydrophobicContact CE2-CG2 3.81Å; F280-V284 HydrophobicContact CZ-CG2 3.69Å; F280-V284 PolarHBondContact O-N 3.44Å; F280-V284 VanDerWaalsContact O-N 3.15Å; D281-V284 PolarHBondContact O-N 2.96Å; V284-M289 VanDerWaalsContact O-CE 3.27Å; V284-M289 WeakPolarHBondContact O-CE 3.4Å; V284-S371 WeakPolarHBondContact CA-OG 3.23Å; V284-S371 PolarHBondContact O-OG 3.28Å; V284-L374 HydrophobicContact CG2-CB 3.69Å; V284-L374 HydrophobicContact CG2-CD1 4.08Å; V284-C375 HydrophobicContact CG1-CB 3.95Å
285A97Very high97.3Very high0 Ų015.2 Ų15.20%09%0.093CC..SBendtrans-80.2158.4-161.700000114.2T216 G217 D281 M287 Y288 M289T216-A285 VanDerWaalsContact O-CB 3.24Å; T216-A285 WeakPolarHBondContact O-CB 3.31Å; G217-A285 VanDerWaalsContact C-CB 3.42Å; D281-A285 HydrophobicContact CB-CB 4.48Å; D281-A285 VanDerWaalsContact O-CB 3.23Å; D281-A285 WeakPolarHBondContact O-CB 3.41Å; D281-A285 PolarHBondContact O-N 3.23Å; A285-M287 PolarHBondContact O-N 3.33Å; A285-Y288 PolarHBondContact O-N 3.09Å; A285-Y288 VanDerWaalsContact O-N 3.16Å; A285-M289 PolarHBondContact O-N 3.35Å; A285-M289 VanDerWaalsContact O-N 3.16Å
286G95.9Very high97.4Very high13 Ų1311.6 Ų11.613%0.1347%0.07CC..Hα-helixtrans-67.6-14.5-176.100000115.4A215 Y288 T323 T399A215-G286 PolarHBondContact O-N 2.98Å; G286-Y288 PolarHBondContact O-N 3.18Å; G286-T323 WeakPolarHBondContact O-CB 3.27Å; G286-T323 PolarHBondContact O-OG1 3.41Å; G286-T399 WeakPolarHBondContact CA-OG1 3.4Å; G286-T399 PolarHBondContact N-OG1 2.91Å
287M94Very high97.6Very high75 Ų7510.1 Ų10.137%0.3696%0.055SC..Hα-helixtrans-66.1-29.3172.5-177.3171.8-179.600112.2T216 A285T216-M287 HydrophobicContact CG2-CB 3.84Å; T216-M287 HydrophobicContact CG2-CG 4.29Å; T216-M287 HydrophobicContact CG2-SD 3.99Å; T216-M287 WeakPolarHBondContact O-CB 3.26Å; T216-M287 PolarHBondContact O-N 3.41Å; A285-M287 PolarHBondContact O-N 3.33Å
288Y97.2Very high97.7Very high25 Ų2510 Ų1010%0.0985%0.052CC..Hα-helixtrans-115.8-24.1-167.6-56.8-74.1000113.3V268 D281 K282 A285 G286 G290 E291 L292V268-Y288 HydrophobicContact CG1-CD1 3.56Å; V268-Y288 HydrophobicContact CG1-CE1 4.39Å; V268-Y288 HydrophobicContact CG1-CG 4.16Å; D281-Y288 HydrophobicContact CB-CE2 4.18Å; D281-Y288 WeakPolarHBondContact O-CD2 3.25Å; K282-Y288 VanDerWaalsContact CA-CD2 3.41Å; K282-Y288 HydrophobicContact CB-CD1 4.49Å; K282-Y288 HydrophobicContact CB-CD2 4.2Å; K282-Y288 HydrophobicContact CB-CE2 4.47Å; K282-Y288 HydrophobicContact CB-CG 4.18Å; K282-Y288 HydrophobicContact CG-CD1 3.85Å; K282-Y288 HydrophobicContact CG-CD2 3.84Å; K282-Y288 HydrophobicContact CG-CE1 3.71Å; K282-Y288 HydrophobicContact CG-CE2 3.67Å; K282-Y288 HydrophobicContact CG-CG 3.9Å; K282-Y288 WeakPolarHBondContact O-CB 3.35Å; A285-Y288 PolarHBondContact O-N 3.09Å; A285-Y288 VanDerWaalsContact O-N 3.16Å; G286-Y288 PolarHBondContact O-N 3.18Å; Y288-G290 VanDerWaalsContact C-N 3.31Å; Y288-G290 PolarHBondContact O-N 3.44Å; Y288-E291 PolarHBondContact O-N 3.31Å; Y288-E291 VanDerWaalsContact O-N 3.07Å; Y288-L292 WeakPolarHBondContact O-CG 3.39Å; Y288-L292 PolarHBondContact O-N 3.4Å
289M98.2Very high97.8Very high3 Ų312.5 Ų12.52%0.0156%0.062CC..Hα-helixtrans-55.3-42.7-178-165.3-173.9-61.400113.3V284 A285 L292 V293 T323 I326 V367 S371 T399 F406V284-M289 VanDerWaalsContact O-CE 3.27Å; V284-M289 WeakPolarHBondContact O-CE 3.4Å; A285-M289 PolarHBondContact O-N 3.35Å; A285-M289 VanDerWaalsContact O-N 3.16Å; M289-L292 WeakPolarHBondContact O-CB 3.42Å; M289-L292 PolarHBondContact O-N 2.86Å; M289-V293 PolarHBondContact O-N 2.93Å; M289-V293 VanDerWaalsContact O-N 3.11Å; M289-T323 HydrophobicContact CB-CG2 4.37Å; M289-T323 HydrophobicContact SD-CG2 4.24Å; M289-I326 HydrophobicContact CB-CD1 4.2Å; M289-I326 HydrophobicContact CG-CD1 3.63Å; M289-I326 HydrophobicContact SD-CD1 3.98Å; M289-V367 HydrophobicContact CG-CG1 4.13Å; M289-S371 WeakPolarHBondContact CE-OG 3.45Å; M289-T399 HydrophobicContact CE-CG2 3.71Å; M289-F406 HydrophobicContact CE-CE2 4.05Å
290G98.3Very high97.8Very high2 Ų212.2 Ų12.22%0.0216%0.061CC..Hα-helixtrans-60.2-43.9174.600000113.8Y288 L292 V293 R294 F321 T323Y288-G290 VanDerWaalsContact C-N 3.31Å; Y288-G290 PolarHBondContact O-N 3.44Å; G290-L292 VanDerWaalsContact C-N 3.35Å; G290-L292 PolarHBondContact O-N 3.27Å; G290-V293 PolarHBondContact O-N 2.81Å; G290-R294 PolarHBondContact O-N 3.04Å; G290-F321 CarbonylContact C-O 3.44Å; G290-F321 VanDerWaalsContact C-O 3.24Å; G290-F321 WeakPolarHBondContact CA-O 3.38Å; G290-T323 PolarHBondContact N-OG1 2.63Å; G290-T323 VanDerWaalsContact N-OG1 3.17Å
291E98.4Very high97.8Very high19 Ų1912.2 Ų12.29%0.0896%0.061CC..Hα-helixtrans-67.8-35.2177.8-178.666.3-179.800111.9V268 Y288 R294 L295 S318 G319V268-E291 HydrophobicContact CG2-CB 4.35Å; V268-E291 HydrophobicContact CG2-CG 3.82Å; Y288-E291 PolarHBondContact O-N 3.31Å; Y288-E291 VanDerWaalsContact O-N 3.07Å; E291-R294 WeakPolarHBondContact O-CB 2.91Å; E291-R294 PolarHBondContact O-N 3.23Å; E291-R294 IonicContact OE1-CZ 3.38Å; E291-R294 IonicContact OE1-NE 2.79Å; E291-R294 PolarHBondContact OE1-NE 3.48Å; E291-R294 IonicContact OE1-NH2 3.91Å; E291-R294 PolarHBondContact OE1-NH2 2.84Å; E291-R294 IonicContact OE2-CZ 2.75Å; E291-R294 IonicContact OE2-NE 3.5Å; E291-R294 PolarHBondContact OE2-NE 2.91Å; E291-R294 IonicContact OE2-NH2 2.68Å; E291-L295 HydrophobicContact CG-CD1 4.16Å; E291-L295 HydrophobicContact CG-CG 4.43Å; E291-L295 VanDerWaalsContact O-CG 3.29Å; E291-L295 WeakPolarHBondContact O-CG 2.96Å; E291-L295 PolarHBondContact O-N 3.25Å; E291-S318 VanDerWaalsContact CD-OG 3.24Å; E291-S318 PolarHBondContact OE1-OG 2.78Å; E291-S318 PolarHBondContact OE2-OG 2.9Å; E291-G319 PolarHBondContact OE2-N 3.21Å
292L98.8Very high97.8Very high1 Ų118.7 Ų18.71%0.0059%0.089CC..Hα-helixtrans-60.6-47.6173.3-70.6160.5000111.2D265 V268 K282 Y288 M289 G290 R294 L295 V296 V367D265-L292 WeakPolarHBondContact OD1-CD2 3.4Å; V268-L292 HydrophobicContact CG2-CD2 3.78Å; V268-L292 HydrophobicContact CG2-CG 4.07Å; K282-L292 WeakPolarHBondContact O-CD1 3.13Å; Y288-L292 WeakPolarHBondContact O-CG 3.39Å; Y288-L292 PolarHBondContact O-N 3.4Å; M289-L292 WeakPolarHBondContact O-CB 3.42Å; M289-L292 PolarHBondContact O-N 2.86Å; G290-L292 VanDerWaalsContact C-N 3.35Å; G290-L292 PolarHBondContact O-N 3.27Å; L292-R294 VanDerWaalsContact C-N 3.35Å; L292-R294 PolarHBondContact O-N 2.66Å; L292-L295 PolarHBondContact O-N 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.42Å; L292-V296 PolarHBondContact O-N 3.22Å; L292-V296 VanDerWaalsContact O-N 3.1Å; L292-V367 HydrophobicContact CB-CG1 3.96Å; L292-V367 HydrophobicContact CD1-CG1 4.48Å
293V98.8Very high97.6Very high0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-59.7-46.6174.4168.40000110.7M289 G290 L295 V296 V297 F321 I326 V363 V367M289-V293 PolarHBondContact O-N 2.93Å; M289-V293 VanDerWaalsContact O-N 3.11Å; G290-V293 PolarHBondContact O-N 2.81Å; V293-L295 VanDerWaalsContact C-N 3.35Å; V293-L295 PolarHBondContact O-N 2.79Å; V293-V296 PolarHBondContact O-N 3.33Å; V293-V297 HydrophobicContact CG1-CG2 4.24Å; V293-V297 WeakPolarHBondContact O-CG2 3.5Å; V293-V297 PolarHBondContact O-N 3.44Å; V293-F321 HydrophobicContact CB-CD1 4.3Å; V293-F321 HydrophobicContact CB-CE1 4.17Å; V293-F321 HydrophobicContact CG1-CD1 4.03Å; V293-F321 HydrophobicContact CG1-CE1 3.54Å; V293-F321 HydrophobicContact CG1-CE2 4.42Å; V293-F321 HydrophobicContact CG1-CZ 3.76Å; V293-I326 HydrophobicContact CB-CD1 4.27Å; V293-I326 HydrophobicContact CG2-CD1 3.58Å; V293-I326 HydrophobicContact CG2-CG1 4.07Å; V293-V363 HydrophobicContact CG1-CG1 4.04Å; V293-V363 HydrophobicContact CG2-CG1 4.44Å; V293-V367 HydrophobicContact CG2-CB 3.87Å; V293-V367 HydrophobicContact CG2-CG1 4Å; V293-V367 HydrophobicContact CG2-CG2 4.01Å
294R98.6Very high97.5Very high1 Ų125.1 Ų25.10%0.00413%0.13CC..Hα-helixtrans-57-46.3179.2-161.8-164.962.6694.6112.3G290 E291 L292 V296 V297 E298 L315 F316 T317 F321G290-R294 PolarHBondContact O-N 3.04Å; E291-R294 WeakPolarHBondContact O-CB 2.91Å; E291-R294 PolarHBondContact O-N 3.23Å; E291-R294 IonicContact OE1-CZ 3.38Å; E291-R294 IonicContact OE1-NE 2.79Å; E291-R294 PolarHBondContact OE1-NE 3.48Å; E291-R294 IonicContact OE1-NH2 3.91Å; E291-R294 PolarHBondContact OE1-NH2 2.84Å; E291-R294 IonicContact OE2-CZ 2.75Å; E291-R294 IonicContact OE2-NE 3.5Å; E291-R294 PolarHBondContact OE2-NE 2.91Å; E291-R294 IonicContact OE2-NH2 2.68Å; L292-R294 VanDerWaalsContact C-N 3.35Å; L292-R294 PolarHBondContact O-N 2.66Å; R294-V296 VanDerWaalsContact C-N 3.34Å; R294-V296 PolarHBondContact O-N 2.99Å; R294-V297 PolarHBondContact O-N 3.26Å; R294-E298 IonicContact CZ-OE2 2.65Å; R294-E298 IonicContact NH1-OE2 3.59Å; R294-E298 PolarHBondContact NH1-OE2 3.34Å; R294-E298 IonicContact NH2-OE2 3.66Å; R294-E298 WeakPolarHBondContact O-CB 3.37Å; R294-E298 PolarHBondContact O-N 3.04Å; R294-L315 WeakPolarHBondContact CD-O 3.49Å; R294-L315 VanDerWaalsContact CG-O 3.28Å; R294-L315 WeakPolarHBondContact CG-O 3.15Å; R294-L315 PolarHBondContact NH1-O 3.32Å; R294-L315 VanDerWaalsContact NH1-O 3.15Å; R294-F316 PolarHBondContact NH1-O 3.47Å; R294-T317 WeakPolarHBondContact CD-O 3.06Å; R294-T317 PolarHBondContact NE-O 3.27Å; R294-F321 HydrophobicContact CB-CB 3.74Å; R294-F321 HydrophobicContact CB-CG 4.41Å; R294-F321 HydrophobicContact CG-CB 3.91Å
295L98.7Very high97.3Very high10 Ų1027.3 Ų27.35%0.05214%0.142CC..Hα-helixtrans-66-36179.6-70.6167.2000112.3Y264 I267 V268 E291 L292 V293 K299Y264-L295 HydrophobicContact CD1-CB 3.73Å; Y264-L295 HydrophobicContact CE1-CB 4.33Å; I267-L295 HydrophobicContact CB-CD1 4.05Å; I267-L295 HydrophobicContact CG2-CD1 3.73Å; I267-L295 HydrophobicContact CG2-CD2 3.92Å; V268-L295 HydrophobicContact CG2-CD1 3.6Å; E291-L295 HydrophobicContact CG-CD1 4.16Å; E291-L295 HydrophobicContact CG-CG 4.43Å; E291-L295 VanDerWaalsContact O-CG 3.29Å; E291-L295 WeakPolarHBondContact O-CG 2.96Å; E291-L295 PolarHBondContact O-N 3.25Å; L292-L295 PolarHBondContact O-N 3.31Å; V293-L295 VanDerWaalsContact C-N 3.35Å; V293-L295 PolarHBondContact O-N 2.79Å; L295-K299 PolarHBondContact O-N 2.94Å
296V98.6Very high97.3Very high0 Ų027.3 Ų27.30%014%0.142CC..Hα-helixtrans-64.2-49.9173173.80000110.1V13 L14 F17 Y264 L292 V293 R294 E298 K299 L300 V363V13-V296 HydrophobicContact CG1-CG1 3.75Å; L14-V296 HydrophobicContact CD2-CG1 4.17Å; F17-V296 HydrophobicContact CE2-CG2 3.51Å; F17-V296 HydrophobicContact CZ-CG2 3.62Å; Y264-V296 HydrophobicContact CD1-CG2 4.03Å; Y264-V296 HydrophobicContact CD2-CG2 4.05Å; Y264-V296 HydrophobicContact CE1-CB 4.43Å; Y264-V296 HydrophobicContact CE1-CG2 3.83Å; Y264-V296 HydrophobicContact CE2-CG2 3.87Å; Y264-V296 HydrophobicContact CG-CG2 4.1Å; L292-V296 WeakPolarHBondContact O-CG2 3.42Å; L292-V296 PolarHBondContact O-N 3.22Å; L292-V296 VanDerWaalsContact O-N 3.1Å; V293-V296 PolarHBondContact O-N 3.33Å; R294-V296 VanDerWaalsContact C-N 3.34Å; R294-V296 PolarHBondContact O-N 2.99Å; V296-E298 VanDerWaalsContact C-N 3.34Å; V296-E298 PolarHBondContact O-N 3.31Å; V296-K299 PolarHBondContact O-N 2.69Å; V296-K299 VanDerWaalsContact O-N 3.13Å; V296-L300 HydrophobicContact CG1-CD1 4Å; V296-L300 HydrophobicContact CG1-CG 4.35Å; V296-L300 WeakPolarHBondContact O-CG 3.47Å; V296-L300 PolarHBondContact O-N 3.43Å; V296-V363 HydrophobicContact CB-CG1 3.84Å; V296-V363 HydrophobicContact CG1-CB 4.4Å; V296-V363 HydrophobicContact CG1-CG1 3.54Å; V296-V363 HydrophobicContact CG1-CG2 3.9Å
297V98.4Very high97.4Very high1 Ų126.8 Ų26.81%0.00614%0.136CC..Hα-helixtrans-59.2-45.1177.8174.20000111V293 R294 K299 L300 V301 L306 F307 L315 L360 V363V293-V297 HydrophobicContact CG1-CG2 4.24Å; V293-V297 WeakPolarHBondContact O-CG2 3.5Å; V293-V297 PolarHBondContact O-N 3.44Å; R294-V297 PolarHBondContact O-N 3.26Å; V297-K299 VanDerWaalsContact C-N 3.31Å; V297-K299 PolarHBondContact O-N 3.02Å; V297-L300 PolarHBondContact O-N 3.49Å; V297-L300 VanDerWaalsContact O-N 3.16Å; V297-V301 HydrophobicContact CG1-CG2 4.27Å; V297-V301 WeakPolarHBondContact O-CG2 3.37Å; V297-V301 PolarHBondContact O-N 3.41Å; V297-L306 HydrophobicContact CB-CD1 4.45Å; V297-L306 HydrophobicContact CG1-CD1 3.93Å; V297-L306 HydrophobicContact CG2-CD1 4.39Å; V297-F307 HydrophobicContact CG1-CE2 4.11Å; V297-L315 HydrophobicContact CG1-CD1 3.83Å; V297-L315 HydrophobicContact CG1-CD2 4.04Å; V297-L315 HydrophobicContact CG1-CG 4.34Å; V297-L360 HydrophobicContact CG2-CD1 3.64Å; V297-V363 HydrophobicContact CG2-CG1 4.34Å
298E98.1Very high97.4Very high27 Ų2730.4 Ų30.413%0.12615%0.149CC..Hα-helixtrans-55.9-44.3175.2179.7-177.5161.600111.7R294 V296 V301 K302 F316R294-E298 IonicContact CZ-OE2 2.65Å; R294-E298 IonicContact NH1-OE2 3.59Å; R294-E298 PolarHBondContact NH1-OE2 3.34Å; R294-E298 IonicContact NH2-OE2 3.66Å; R294-E298 WeakPolarHBondContact O-CB 3.37Å; R294-E298 PolarHBondContact O-N 3.04Å; V296-E298 VanDerWaalsContact C-N 3.34Å; V296-E298 PolarHBondContact O-N 3.31Å; E298-V301 PolarHBondContact O-N 3.45Å; E298-K302 HydrophobicContact CG-CD 4.15Å; E298-K302 WeakPolarHBondContact O-CB 3.15Å; E298-K302 WeakPolarHBondContact O-CG 3.3Å; E298-K302 PolarHBondContact O-N 2.57Å; E298-K302 IonicContact OE1-NZ 2.74Å; E298-K302 PolarHBondContact OE1-NZ 3.14Å; E298-F316 HydrophobicContact CB-CD1 4.12Å; E298-F316 HydrophobicContact CB-CE1 4.34Å; E298-F316 HydrophobicContact CG-CD1 3.7Å; E298-F316 HydrophobicContact CG-CE1 4Å; E298-F316 HydrophobicContact CG-CG 4.49Å
299K97.6Very high97.3Very high68 Ų6830.8 Ų30.830%0.29616%0.161SC..Hα-helixtrans-65-42.7177.3-159.9-174.1-172.8178.80111.6F8 V13 Q263 Y264 L295 V296 V297 K302 G303F8-K299 HydrophobicContact CE2-CD 4.13Å; F8-K299 HydrophobicContact CE2-CG 4.15Å; F8-K299 HydrophobicContact CZ-CD 4.24Å; F8-K299 HydrophobicContact CZ-CG 3.87Å; F8-K299 WeakPolarHBondContact CZ-O 3.47Å; V13-K299 HydrophobicContact CG2-CD 4.35Å; Q263-K299 VanDerWaalsContact OE1-NZ 3.11Å; Y264-K299 HydrophobicContact CE1-CB 4.4Å; Y264-K299 HydrophobicContact CE1-CD 4.26Å; Y264-K299 WeakPolarHBondContact OH-CD 3.31Å; L295-K299 PolarHBondContact O-N 2.94Å; V296-K299 PolarHBondContact O-N 2.69Å; V296-K299 VanDerWaalsContact O-N 3.13Å; V297-K299 VanDerWaalsContact C-N 3.31Å; V297-K299 PolarHBondContact O-N 3.02Å; K299-K302 PolarHBondContact O-N 3.43Å; K299-G303 PolarHBondContact O-N 3.28Å
300L98Very high97.2Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-65.5-38.8179.1-67.4175.6000112.3F8 L10 V13 V296 V297 G303 N304 I305 L306 V359 V363F8-L300 HydrophobicContact CE1-CD2 4.31Å; F8-L300 HydrophobicContact CZ-CD2 4.35Å; L10-L300 HydrophobicContact CD1-CD1 3.62Å; L10-L300 HydrophobicContact CD1-CD2 3.89Å; L10-L300 HydrophobicContact CD1-CG 4.44Å; V13-L300 HydrophobicContact CB-CD2 4.12Å; V13-L300 HydrophobicContact CG1-CD2 4.09Å; V13-L300 HydrophobicContact CG1-CG 4.46Å; V13-L300 HydrophobicContact CG2-CD2 4.03Å; V296-L300 HydrophobicContact CG1-CD1 4Å; V296-L300 HydrophobicContact CG1-CG 4.35Å; V296-L300 WeakPolarHBondContact O-CG 3.47Å; V296-L300 PolarHBondContact O-N 3.43Å; V297-L300 PolarHBondContact O-N 3.49Å; V297-L300 VanDerWaalsContact O-N 3.16Å; L300-G303 CarbonylContact O-C 3.56Å; L300-G303 PolarHBondContact O-N 3.43Å; L300-N304 PolarHBondContact O-N 2.8Å; L300-I305 HydrophobicContact CB-CB 4.32Å; L300-I305 HydrophobicContact CD2-CB 4.27Å; L300-I305 HydrophobicContact CD2-CD1 3.71Å; L300-I305 HydrophobicContact CD2-CG2 4.24Å; L300-I305 PolarHBondContact O-N 3.32Å; L300-L306 HydrophobicContact CB-CB 4.27Å; L300-L306 HydrophobicContact CB-CD1 3.8Å; L300-L306 HydrophobicContact CB-CG 4.01Å; L300-L306 HydrophobicContact CD1-CD1 3.84Å; L300-L306 HydrophobicContact CD1-CG 4.39Å; L300-L306 PolarHBondContact O-N 3.46Å; L300-V359 HydrophobicContact CD1-CG1 4.17Å; L300-V363 HydrophobicContact CD1-CG2 3.63Å
301V97.5Very high97.1Very high1 Ų136.1 Ų36.11%0.00620%0.197CC..Hα-helixtrans-66-49.7173.4176.90000110V297 E298 G303 N304 L306 F307 G309 L315 F316V297-V301 HydrophobicContact CG1-CG2 4.27Å; V297-V301 WeakPolarHBondContact O-CG2 3.37Å; V297-V301 PolarHBondContact O-N 3.41Å; E298-V301 PolarHBondContact O-N 3.45Å; V301-G303 PolarHBondContact O-N 2.95Å; V301-G303 VanDerWaalsContact O-N 3.16Å; V301-N304 PolarHBondContact O-N 3.4Å; V301-L306 HydrophobicContact CG2-CB 3.72Å; V301-F307 HydrophobicContact CG2-CD2 3.48Å; V301-F307 VanDerWaalsContact CG2-CD2 3.48Å; V301-F307 HydrophobicContact CG2-CE2 4.02Å; V301-F307 HydrophobicContact CG2-CG 4.4Å; V301-G309 VanDerWaalsContact O-CA 3.29Å; V301-G309 WeakPolarHBondContact O-CA 3.19Å; V301-L315 HydrophobicContact CG2-CD2 4.2Å; V301-F316 HydrophobicContact CB-CE1 4.19Å; V301-F316 HydrophobicContact CB-CZ 4.26Å; V301-F316 HydrophobicContact CG1-CE1 4.13Å; V301-F316 HydrophobicContact CG1-CZ 3.72Å
302K96.1Very high97Very high140 Ų14036 Ų3661%0.60920%0.198SC*.Hα-helixtrans-60.8-27.6178.7-74.3176175.1174.60113.5E298 K299E298-K302 HydrophobicContact CG-CD 4.15Å; E298-K302 WeakPolarHBondContact O-CB 3.15Å; E298-K302 WeakPolarHBondContact O-CG 3.3Å; E298-K302 PolarHBondContact O-N 2.57Å; E298-K302 IonicContact OE1-NZ 2.74Å; E298-K302 PolarHBondContact OE1-NZ 3.14Å; K299-K302 PolarHBondContact O-N 3.43Å
303G95.6Very high97Very high31 Ų3143.9 Ų43.932%0.3224%0.235SC..THydrogen-bonded Turntrans-91.414.7172.600000115.2K299 L300 V301 I305K299-G303 PolarHBondContact O-N 3.28Å; L300-G303 CarbonylContact O-C 3.56Å; L300-G303 PolarHBondContact O-N 3.43Å; V301-G303 PolarHBondContact O-N 2.95Å; V301-G303 VanDerWaalsContact O-N 3.16Å; G303-I305 PolarHBondContact O-N 3.08Å
304N95Very high96.9Very high109 Ų10948 Ų4858%0.58326%0.257SS*.THydrogen-bonded Turntrans59.526.9175.7-162.242.1000115.2L300 V301 K308 G309L300-N304 PolarHBondContact O-N 2.8Å; V301-N304 PolarHBondContact O-N 3.4Å; N304-K308 PolarHBondContact OD1-O 3.34Å; N304-G309 WeakPolarHBondContact OD1-CA 3.24Å; N304-G309 PolarHBondContact OD1-N 2.78Å; N304-G309 VanDerWaalsContact OD1-N 3.1Å
305I95.4Very high96.9Very high48 Ų4848 Ų4825%0.24626%0.257CS..SBendtrans-88.6-41.2174.3-62.9-179.3000110.9F8 L300 G303F8-I305 HydrophobicContact CD1-CD1 3.35Å; F8-I305 HydrophobicContact CD1-CG1 3.77Å; F8-I305 HydrophobicContact CE1-CD1 3.36Å; F8-I305 HydrophobicContact CE1-CG1 3.87Å; F8-I305 HydrophobicContact CG-CD1 4.32Å; F8-I305 HydrophobicContact CZ-CD1 4.34Å; F8-I305 WeakPolarHBondContact O-CD1 3.49Å; L300-I305 HydrophobicContact CB-CB 4.32Å; L300-I305 HydrophobicContact CD2-CB 4.27Å; L300-I305 HydrophobicContact CD2-CD1 3.71Å; L300-I305 HydrophobicContact CD2-CG2 4.24Å; L300-I305 PolarHBondContact O-N 3.32Å; G303-I305 PolarHBondContact O-N 3.08Å
306L96.6Very high96.8Very high0 Ų050.8 Ų50.80%027%0.269CS..SBendtrans-106144.9178.7-82.6177.6000111.5V297 L300 V301 K308 G309 D356 V359V297-L306 HydrophobicContact CB-CD1 4.45Å; V297-L306 HydrophobicContact CG1-CD1 3.93Å; V297-L306 HydrophobicContact CG2-CD1 4.39Å; L300-L306 HydrophobicContact CB-CB 4.27Å; L300-L306 HydrophobicContact CB-CD1 3.8Å; L300-L306 HydrophobicContact CB-CG 4.01Å; L300-L306 HydrophobicContact CD1-CD1 3.84Å; L300-L306 HydrophobicContact CD1-CG 4.39Å; L300-L306 PolarHBondContact O-N 3.46Å; V301-L306 HydrophobicContact CG2-CB 3.72Å; L306-K308 PolarHBondContact O-N 3.14Å; L306-G309 PolarHBondContact O-N 3.03Å; L306-D356 WeakPolarHBondContact CA-OD1 3.36Å; L306-D356 HydrophobicContact CD2-CB 3.88Å; L306-V359 HydrophobicContact CD1-CG1 4.16Å; L306-V359 HydrophobicContact CD2-CB 3.71Å; L306-V359 HydrophobicContact CD2-CG1 3.58Å; L306-V359 HydrophobicContact CG-CG1 3.88Å
307F97.1Very high96.8Very high1 Ų153.7 Ų53.70%0.00429%0.286CS..G310 helixtrans54.630.3168.1-45.8-43000113.7V297 V301 G309 V310 L315 L344 V349 D356V297-F307 HydrophobicContact CG1-CE2 4.11Å; V301-F307 HydrophobicContact CG2-CD2 3.48Å; V301-F307 VanDerWaalsContact CG2-CD2 3.48Å; V301-F307 HydrophobicContact CG2-CE2 4.02Å; V301-F307 HydrophobicContact CG2-CG 4.4Å; F307-G309 PolarHBondContact O-N 3.24Å; F307-G309 VanDerWaalsContact O-N 3.09Å; F307-V310 VanDerWaalsContact CB-O 3.29Å; F307-V310 WeakPolarHBondContact CB-O 3.5Å; F307-V310 PolarHBondContact O-N 2.83Å; F307-L315 HydrophobicContact CD2-CD2 4.17Å; F307-L315 HydrophobicContact CE2-CD2 3.95Å; F307-L344 HydrophobicContact CE1-CD1 4.08Å; F307-L344 HydrophobicContact CE1-CD2 4.09Å; F307-L344 HydrophobicContact CE2-CD2 4.28Å; F307-L344 HydrophobicContact CZ-CD1 4.34Å; F307-L344 HydrophobicContact CZ-CD2 3.55Å; F307-V349 HydrophobicContact CB-CG1 4.3Å; F307-V349 HydrophobicContact CD1-CG1 3.97Å; F307-V349 HydrophobicContact CD2-CG1 3.84Å; F307-V349 HydrophobicContact CE1-CG1 4.24Å; F307-V349 HydrophobicContact CE2-CG1 4.16Å; F307-V349 HydrophobicContact CE2-CG2 4.44Å; F307-V349 HydrophobicContact CG-CG1 3.78Å; F307-V349 HydrophobicContact CZ-CG1 4.36Å; F307-D356 HydrophobicContact CD1-CB 3.68Å; F307-D356 HydrophobicContact CE1-CB 3.59Å; F307-D356 PolarHBondContact N-OD1 2.99Å
308K94.6Very high96.7Very high151 Ų15157 Ų5766%0.65731%0.309SS*.G310 helixtrans52.232.5-176.4-54.2170.1-176.8165.60113N304 L306 V310N304-K308 PolarHBondContact OD1-O 3.34Å; L306-K308 PolarHBondContact O-N 3.14Å; K308-V310 VanDerWaalsContact C-N 3.29Å; K308-V310 PolarHBondContact O-N 2.72Å
309G95.6Very high96.5Very high33 Ų3358.5 Ų58.534%0.3433%0.332SS..G310 helixtrans79.94.2179.500000115.5V301 N304 L306 F307V301-G309 VanDerWaalsContact O-CA 3.29Å; V301-G309 WeakPolarHBondContact O-CA 3.19Å; N304-G309 WeakPolarHBondContact OD1-CA 3.24Å; N304-G309 PolarHBondContact OD1-N 2.78Å; N304-G309 VanDerWaalsContact OD1-N 3.1Å; L306-G309 PolarHBondContact O-N 3.03Å; F307-G309 PolarHBondContact O-N 3.24Å; F307-G309 VanDerWaalsContact O-N 3.09Å
310V96.4Very high96.5Very high99 Ų9956.8 Ų56.860%0.633%0.327SS*.  trans-112.8103.8-177.3-174.50000109.9F307 K308F307-V310 VanDerWaalsContact CB-O 3.29Å; F307-V310 WeakPolarHBondContact CB-O 3.5Å; F307-V310 PolarHBondContact O-N 2.83Å; K308-V310 VanDerWaalsContact C-N 3.29Å; K308-V310 PolarHBondContact O-N 2.72Å
311G94.9Very high96.5Very high19 Ų1957 Ų5720%0.19633%0.328CS..  trans-93-156.9171.100000111.9
312S97.5Very high96.5Very high16 Ų1659.5 Ų59.511%0.11235%0.345CS..  trans-132.5163.9176.871.80000111.2L314 L315 F316 L347 G348S312-L314 VanDerWaalsContact C-N 3.29Å; S312-L314 PolarHBondContact O-N 2.87Å; S312-L315 PolarHBondContact O-N 2.97Å; S312-L315 WeakPolarHBondContact OG-CB 3.32Å; S312-L315 PolarHBondContact OG-N 3.36Å; S312-F316 WeakPolarHBondContact O-CD2 3.35Å; S312-F316 WeakPolarHBondContact O-CG 3.48Å; S312-F316 PolarHBondContact O-N 2.74Å; S312-F316 VanDerWaalsContact O-N 3.13Å; S312-L347 VanDerWaalsContact CB-O 3.25Å; S312-L347 WeakPolarHBondContact CB-O 3.17Å; S312-L347 PolarHBondContact OG-O 3.3Å; S312-G348 WeakPolarHBondContact CB-O 3.1Å
313E97.3Very high96.5Very high167 Ų16753.9 Ų53.978%0.7832%0.322SS*.Hα-helixtrans-59.2-42.5173.9-174.4178.1178.100111.3F316 T317E313-F316 PolarHBondContact O-N 3.35Å; E313-T317 WeakPolarHBondContact O-CB 3.47Å; E313-T317 PolarHBondContact O-N 3.11Å; E313-T317 PolarHBondContact O-OG1 2.96Å
314L97.5Very high96.6Very high86 Ų8658.5 Ų58.545%0.4533%0.333SS..Hα-helixtrans-63.2-46.1177.4-71.8173.5000111.7S312 F316 T317 T320 E346S312-L314 VanDerWaalsContact C-N 3.29Å; S312-L314 PolarHBondContact O-N 2.87Å; L314-F316 PolarHBondContact O-N 3.23Å; L314-T317 PolarHBondContact O-N 3.5Å; L314-T317 VanDerWaalsContact O-N 3.11Å; L314-T320 HydrophobicContact CD2-CG2 4.48Å; L314-T320 VanDerWaalsContact O-CB 3.32Å; L314-T320 WeakPolarHBondContact O-CB 3.37Å; L314-T320 WeakPolarHBondContact O-CG2 3.44Å; L314-T320 PolarHBondContact O-OG1 3.05Å; L314-E346 WeakPolarHBondContact CD1-O 3.41Å
315L97.6Very high96.8Very high1 Ų154.7 Ų54.71%0.00531%0.311CS..Hα-helixtrans-60.3-34.5178.7-179.165.1000112.4R294 V297 V301 F307 S312 L347 V349R294-L315 WeakPolarHBondContact CD-O 3.49Å; R294-L315 VanDerWaalsContact CG-O 3.28Å; R294-L315 WeakPolarHBondContact CG-O 3.15Å; R294-L315 PolarHBondContact NH1-O 3.32Å; R294-L315 VanDerWaalsContact NH1-O 3.15Å; V297-L315 HydrophobicContact CG1-CD1 3.83Å; V297-L315 HydrophobicContact CG1-CD2 4.04Å; V297-L315 HydrophobicContact CG1-CG 4.34Å; V301-L315 HydrophobicContact CG2-CD2 4.2Å; F307-L315 HydrophobicContact CD2-CD2 4.17Å; F307-L315 HydrophobicContact CE2-CD2 3.95Å; S312-L315 PolarHBondContact O-N 2.97Å; S312-L315 WeakPolarHBondContact OG-CB 3.32Å; S312-L315 PolarHBondContact OG-N 3.36Å; L315-L347 HydrophobicContact CD1-CD1 4.26Å; L315-V349 HydrophobicContact CD2-CG2 4.13Å
316F97.7Very high96.9Very high69 Ų6952.4 Ų52.430%0.30330%0.299SS..Hα-helixtrans-88.6-6.1179.5-60.9-21.7000114R294 E298 V301 S312 E313 L314R294-F316 PolarHBondContact NH1-O 3.47Å; E298-F316 HydrophobicContact CB-CD1 4.12Å; E298-F316 HydrophobicContact CB-CE1 4.34Å; E298-F316 HydrophobicContact CG-CD1 3.7Å; E298-F316 HydrophobicContact CG-CE1 4Å; E298-F316 HydrophobicContact CG-CG 4.49Å; V301-F316 HydrophobicContact CB-CE1 4.19Å; V301-F316 HydrophobicContact CB-CZ 4.26Å; V301-F316 HydrophobicContact CG1-CE1 4.13Å; V301-F316 HydrophobicContact CG1-CZ 3.72Å; S312-F316 WeakPolarHBondContact O-CD2 3.35Å; S312-F316 WeakPolarHBondContact O-CG 3.48Å; S312-F316 PolarHBondContact O-N 2.74Å; S312-F316 VanDerWaalsContact O-N 3.13Å; E313-F316 PolarHBondContact O-N 3.35Å; L314-F316 PolarHBondContact O-N 3.23Å
317T98.1Very high97Very high61 Ų6153.2 Ų53.237%0.37431%0.305SS..SBendtrans-84.5131.9176.4-63.80000110.3R294 E313 L314 T320R294-T317 WeakPolarHBondContact CD-O 3.06Å; R294-T317 PolarHBondContact NE-O 3.27Å; E313-T317 WeakPolarHBondContact O-CB 3.47Å; E313-T317 PolarHBondContact O-N 3.11Å; E313-T317 PolarHBondContact O-OG1 2.96Å; L314-T317 PolarHBondContact O-N 3.5Å; L314-T317 VanDerWaalsContact O-N 3.11Å; T317-T320 HydrophobicContact CG2-CG2 3.77Å; T317-T320 PolarHBondContact O-OG1 3.41Å
318S96.2Very high97Very high70 Ų7055.7 Ų55.749%0.4932%0.316SS..THydrogen-bonded Turntrans-61.5141.2-179.4-167.20000112E291 T320E291-S318 VanDerWaalsContact CD-OG 3.24Å; E291-S318 PolarHBondContact OE1-OG 2.78Å; E291-S318 PolarHBondContact OE2-OG 2.9Å; S318-T320 VanDerWaalsContact C-N 3.3Å; S318-T320 PolarHBondContact O-N 2.96Å
319G94.4Very high97.2Very high58 Ų5848.5 Ų48.560%0.59829%0.285SS*.THydrogen-bonded Turntrans76.52.9175.900000116.4E291 F321E291-G319 PolarHBondContact OE2-N 3.21Å; G319-F321 VanDerWaalsContact C-N 3.31Å
320T97.6Very high97.2Very high32 Ų3247 Ų4720%0.19627%0.269CS..  trans-82.5-6.2178.657.80000114.3L314 T317 S318 P322L314-T320 HydrophobicContact CD2-CG2 4.48Å; L314-T320 VanDerWaalsContact O-CB 3.32Å; L314-T320 WeakPolarHBondContact O-CB 3.37Å; L314-T320 WeakPolarHBondContact O-CG2 3.44Å; L314-T320 PolarHBondContact O-OG1 3.05Å; T317-T320 HydrophobicContact CG2-CG2 3.77Å; T317-T320 PolarHBondContact O-OG1 3.41Å; S318-T320 VanDerWaalsContact C-N 3.3Å; S318-T320 PolarHBondContact O-N 2.96Å; T320-P322 VanDerWaalsContact C-CD 3.5Å; T320-P322 WeakPolarHBondContact O-CD 3.45Å
321F98.1Very high97.2Very high4 Ų445 Ų452%0.01826%0.259CS..SBendtrans-109.483.5175.5-157.5-77.1000109.4G290 V293 R294 G319 Y325 I326 I329 L347 L360G290-F321 CarbonylContact C-O 3.44Å; G290-F321 VanDerWaalsContact C-O 3.24Å; G290-F321 WeakPolarHBondContact CA-O 3.38Å; V293-F321 HydrophobicContact CB-CD1 4.3Å; V293-F321 HydrophobicContact CB-CE1 4.17Å; V293-F321 HydrophobicContact CG1-CD1 4.03Å; V293-F321 HydrophobicContact CG1-CE1 3.54Å; V293-F321 HydrophobicContact CG1-CE2 4.42Å; V293-F321 HydrophobicContact CG1-CZ 3.76Å; R294-F321 HydrophobicContact CB-CB 3.74Å; R294-F321 HydrophobicContact CB-CG 4.41Å; R294-F321 HydrophobicContact CG-CB 3.91Å; G319-F321 VanDerWaalsContact C-N 3.31Å; F321-Y325 HydrophobicContact CD1-CD2 4.39Å; F321-Y325 HydrophobicContact CD2-CD2 4.08Å; F321-Y325 HydrophobicContact CE2-CD2 4.23Å; F321-Y325 HydrophobicContact CG-CD2 4.16Å; F321-Y325 HydrophobicContact CZ-CD2 4.46Å; F321-I326 HydrophobicContact CD1-CG1 4.42Å; F321-I326 HydrophobicContact CE1-CG1 3.8Å; F321-I329 HydrophobicContact CE2-CD1 4.48Å; F321-I329 HydrophobicContact CZ-CD1 3.67Å; F321-L347 HydrophobicContact CD2-CD1 3.79Å; F321-L347 HydrophobicContact CE2-CD1 3.94Å; F321-L360 HydrophobicContact CE2-CD1 4.36Å; F321-L360 HydrophobicContact CZ-CD1 4.28Å
322P96.8Very high97.1Very high55 Ų5544.5 Ų44.536%0.35725%0.252SS..  trans-65.7150.5178.627.6-36.2000111.4T320 K324 Y325T320-P322 VanDerWaalsContact C-CD 3.5Å; T320-P322 WeakPolarHBondContact O-CD 3.45Å; P322-K324 HydrophobicContact CB-CB 4.44Å; P322-K324 PolarHBondContact O-N 3.39Å; P322-Y325 HydrophobicContact CG-CD1 3.77Å; P322-Y325 HydrophobicContact CG-CD2 4.07Å; P322-Y325 HydrophobicContact CG-CE1 3.76Å; P322-Y325 HydrophobicContact CG-CE2 4.09Å; P322-Y325 HydrophobicContact CG-CG 3.91Å; P322-Y325 WeakPolarHBondContact O-CB 3.38Å; P322-Y325 PolarHBondContact O-N 3.31Å
323T97.2Very high96.4Very high21 Ų2152.2 Ų52.213%0.12929%0.286CS..Hα-helixtrans-56.5-20174.5-61.90000113.5G286 M289 G290 Y325 I326 S327G286-T323 WeakPolarHBondContact O-CB 3.27Å; G286-T323 PolarHBondContact O-OG1 3.41Å; M289-T323 HydrophobicContact CB-CG2 4.37Å; M289-T323 HydrophobicContact SD-CG2 4.24Å; G290-T323 PolarHBondContact N-OG1 2.63Å; G290-T323 VanDerWaalsContact N-OG1 3.17Å; T323-Y325 VanDerWaalsContact C-N 3.31Å; T323-Y325 PolarHBondContact O-N 3.35Å; T323-I326 WeakPolarHBondContact O-CB 3.41Å; T323-I326 PolarHBondContact O-N 3.04Å; T323-S327 PolarHBondContact O-N 3.27Å; T323-S327 PolarHBondContact O-OG 2.76Å
324K97.2Very high95.4Very high128 Ų12846.8 Ų46.856%0.55728%0.275SS*.Hα-helixtrans-57.1-43169.6-173-172.5176.1-117.70112.1P322 I326 S327 E328P322-K324 HydrophobicContact CB-CB 4.44Å; P322-K324 PolarHBondContact O-N 3.39Å; K324-I326 VanDerWaalsContact C-N 3.27Å; K324-I326 PolarHBondContact O-N 2.96Å; K324-S327 WeakPolarHBondContact O-CB 3.26Å; K324-S327 PolarHBondContact O-N 3.22Å; K324-E328 WeakPolarHBondContact CE-OE1 3.29Å; K324-E328 HydrophobicContact CG-CG 4.47Å; K324-E328 IonicContact NZ-OE1 2.65Å; K324-E328 PolarHBondContact NZ-OE1 2.79Å; K324-E328 IonicContact NZ-OE2 2.74Å; K324-E328 PolarHBondContact NZ-OE2 3.42Å; K324-E328 PolarHBondContact O-N 3.18Å
325Y98.3Very high94.7Very high30 Ų3045.2 Ų45.212%0.11828%0.28CS..Hα-helixtrans-60.9-38.3179.2-70-3.3000111.5F321 P322 T323 S327 E328 I329 I343 E346 L347F321-Y325 HydrophobicContact CD1-CD2 4.39Å; F321-Y325 HydrophobicContact CD2-CD2 4.08Å; F321-Y325 HydrophobicContact CE2-CD2 4.23Å; F321-Y325 HydrophobicContact CG-CD2 4.16Å; F321-Y325 HydrophobicContact CZ-CD2 4.46Å; P322-Y325 HydrophobicContact CG-CD1 3.77Å; P322-Y325 HydrophobicContact CG-CD2 4.07Å; P322-Y325 HydrophobicContact CG-CE1 3.76Å; P322-Y325 HydrophobicContact CG-CE2 4.09Å; P322-Y325 HydrophobicContact CG-CG 3.91Å; P322-Y325 WeakPolarHBondContact O-CB 3.38Å; P322-Y325 PolarHBondContact O-N 3.31Å; T323-Y325 VanDerWaalsContact C-N 3.31Å; T323-Y325 PolarHBondContact O-N 3.35Å; Y325-S327 VanDerWaalsContact C-N 3.3Å; Y325-S327 PolarHBondContact O-N 2.94Å; Y325-E328 PolarHBondContact O-N 2.88Å; Y325-I329 VanDerWaalsContact O-CB 3.3Å; Y325-I329 WeakPolarHBondContact O-CB 3.5Å; Y325-I329 WeakPolarHBondContact O-CD1 3.43Å; Y325-I329 WeakPolarHBondContact O-CG1 3.27Å; Y325-I329 PolarHBondContact O-N 3.3Å; Y325-I343 HydrophobicContact CD1-CD1 4.09Å; Y325-I343 HydrophobicContact CD1-CG1 3.95Å; Y325-I343 HydrophobicContact CD1-CG2 4.37Å; Y325-I343 HydrophobicContact CD2-CG2 3.49Å; Y325-I343 VanDerWaalsContact CD2-CG2 3.49Å; Y325-I343 HydrophobicContact CE1-CG1 4.3Å; Y325-I343 HydrophobicContact CE2-CG2 3.87Å; Y325-I343 HydrophobicContact CG-CD1 4.11Å; Y325-I343 HydrophobicContact CG-CG1 4.13Å; Y325-I343 HydrophobicContact CG-CG2 3.79Å; Y325-E346 PolarHBondContact OH-OE2 3.24Å; Y325-L347 HydrophobicContact CD2-CD1 4.44Å; Y325-L347 HydrophobicContact CE2-CD1 4.3Å; Y325-L347 HydrophobicContact CE2-CD2 4.17Å; Y325-L347 HydrophobicContact CE2-CG 4.16Å
326I98.5Very high94.3Very high0 Ų050.7 Ų50.70%031%0.305CS..Hα-helixtrans-58.2-46.5174.3-58.6178.2000110.4M289 V293 F321 T323 K324 L330 C364 S368M289-I326 HydrophobicContact CB-CD1 4.2Å; M289-I326 HydrophobicContact CG-CD1 3.63Å; M289-I326 HydrophobicContact SD-CD1 3.98Å; V293-I326 HydrophobicContact CB-CD1 4.27Å; V293-I326 HydrophobicContact CG2-CD1 3.58Å; V293-I326 HydrophobicContact CG2-CG1 4.07Å; F321-I326 HydrophobicContact CD1-CG1 4.42Å; F321-I326 HydrophobicContact CE1-CG1 3.8Å; T323-I326 WeakPolarHBondContact O-CB 3.41Å; T323-I326 PolarHBondContact O-N 3.04Å; K324-I326 VanDerWaalsContact C-N 3.27Å; K324-I326 PolarHBondContact O-N 2.96Å; I326-L330 HydrophobicContact CG2-CD1 3.94Å; I326-L330 WeakPolarHBondContact O-CB 3.47Å; I326-L330 VanDerWaalsContact O-CG 3.25Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 2.89Å; I326-C364 HydrophobicContact CG2-CB 4.06Å; I326-S368 VanDerWaalsContact CG2-OG 3.24Å; I326-S368 WeakPolarHBondContact CG2-OG 3.47Å
327S97.9Very high94.1Very high17 Ų1747.8 Ų47.812%0.11929%0.293CS..Hα-helixtrans-65.2-44-178.7-54.70000111.2T323 K324 Y325 L330 C331T323-S327 PolarHBondContact O-N 3.27Å; T323-S327 PolarHBondContact O-OG 2.76Å; K324-S327 WeakPolarHBondContact O-CB 3.26Å; K324-S327 PolarHBondContact O-N 3.22Å; Y325-S327 VanDerWaalsContact C-N 3.3Å; Y325-S327 PolarHBondContact O-N 2.94Å; S327-L330 PolarHBondContact O-N 2.88Å; S327-C331 VanDerWaalsContact O-CB 3.28Å; S327-C331 WeakPolarHBondContact O-CB 3.47Å; S327-C331 PolarHBondContact O-N 3.29Å; S327-C331 PolarHBondContact O-SG 2.87Å
328E97.6Very high94Very high52 Ų5252.3 Ų52.324%0.24330%0.304CS..Hα-helixtrans-63.8-48.6177.1-72.5173.7153.600111.7K324 Y325 L330 C331 D332 Q339 I343K324-E328 WeakPolarHBondContact CE-OE1 3.29Å; K324-E328 HydrophobicContact CG-CG 4.47Å; K324-E328 IonicContact NZ-OE1 2.65Å; K324-E328 PolarHBondContact NZ-OE1 2.79Å; K324-E328 IonicContact NZ-OE2 2.74Å; K324-E328 PolarHBondContact NZ-OE2 3.42Å; K324-E328 PolarHBondContact O-N 3.18Å; Y325-E328 PolarHBondContact O-N 2.88Å; E328-L330 VanDerWaalsContact C-N 3.27Å; E328-L330 PolarHBondContact O-N 2.79Å; E328-C331 CarbonylContact O-C 3.45Å; E328-C331 PolarHBondContact O-N 3.47Å; E328-D332 WeakPolarHBondContact O-CB 3.48Å; E328-D332 PolarHBondContact O-N 3.29Å; E328-Q339 PolarHBondContact O-OE1 2.76Å; E328-I343 HydrophobicContact CB-CD1 3.85Å
329I98.1Very high94Very high0 Ų052.9 Ų52.90%030%0.299CS..Hα-helixtrans-57.6-40.4176.8-70.5163.8000111.4F321 Y325 D332 T340 I343 L360 R361 C364F321-I329 HydrophobicContact CE2-CD1 4.48Å; F321-I329 HydrophobicContact CZ-CD1 3.67Å; Y325-I329 VanDerWaalsContact O-CB 3.3Å; Y325-I329 WeakPolarHBondContact O-CB 3.5Å; Y325-I329 WeakPolarHBondContact O-CD1 3.43Å; Y325-I329 WeakPolarHBondContact O-CG1 3.27Å; Y325-I329 PolarHBondContact O-N 3.3Å; I329-D332 WeakPolarHBondContact O-CB 3.31Å; I329-D332 PolarHBondContact O-N 3.27Å; I329-T340 HydrophobicContact CG1-CG2 4.26Å; I329-T340 HydrophobicContact CG2-CG2 4.5Å; I329-I343 HydrophobicContact CD1-CD1 4.22Å; I329-I343 HydrophobicContact CD1-CG2 4.44Å; I329-I343 HydrophobicContact CG1-CD1 3.73Å; I329-L360 HydrophobicContact CD1-CD1 4.49Å; I329-L360 HydrophobicContact CD1-CD2 3.96Å; I329-L360 HydrophobicContact CD1-CG 4.1Å; I329-R361 HydrophobicContact CG2-CB 4.11Å; I329-R361 HydrophobicContact CG2-CG 4.28Å; I329-R361 PolarHBondContact O-NH1 3.07Å; I329-C364 HydrophobicContact CG2-CB 4.35Å
330L97.3Very high94.1Very high1 Ų150.1 Ų50.11%0.00527%0.27CS..Hα-helixtrans-77.3-30.7-179.3-69.8-179.8000113.2I326 S327 E328 D332 R361 C364 M365 H403 P404 F405I326-L330 HydrophobicContact CG2-CD1 3.94Å; I326-L330 WeakPolarHBondContact O-CB 3.47Å; I326-L330 VanDerWaalsContact O-CG 3.25Å; I326-L330 WeakPolarHBondContact O-CG 3.43Å; I326-L330 PolarHBondContact O-N 2.89Å; S327-L330 PolarHBondContact O-N 2.88Å; E328-L330 VanDerWaalsContact C-N 3.27Å; E328-L330 PolarHBondContact O-N 2.79Å; L330-D332 VanDerWaalsContact C-N 3.31Å; L330-R361 HydrophobicContact CD2-CG 4.12Å; L330-R361 PolarHBondContact O-NH1 2.99Å; L330-R361 PolarHBondContact O-NH2 3.16Å; L330-C364 HydrophobicContact CD1-CB 4.48Å; L330-C364 HydrophobicContact CD2-CB 4.12Å; L330-C364 HydrophobicContact CG-CB 4.16Å; L330-M365 HydrophobicContact CD2-CB 4.22Å; L330-M365 HydrophobicContact CD2-CE 3.74Å; L330-M365 HydrophobicContact CD2-SD 4.15Å; L330-H403 VanDerWaalsContact CD1-NE2 3.26Å; L330-H403 WeakPolarHBondContact CD1-NE2 3.48Å; L330-P404 HydrophobicContact CB-CG 3.72Å; L330-F405 HydrophobicContact CB-CD2 4.42Å; L330-F405 HydrophobicContact CB-CE2 3.95Å; L330-F405 HydrophobicContact CD1-CD2 4.37Å; L330-F405 HydrophobicContact CD2-CE2 4.45Å
331C95.3Very high94.1Very high58 Ų5852.2 Ų52.239%0.39228%0.275SS..Hα-helixtrans-77.8-11.1171.6-73.60000113.9S327 E328 E333S327-C331 VanDerWaalsContact O-CB 3.28Å; S327-C331 WeakPolarHBondContact O-CB 3.47Å; S327-C331 PolarHBondContact O-N 3.29Å; S327-C331 PolarHBondContact O-SG 2.87Å; E328-C331 CarbonylContact O-C 3.45Å; E328-C331 PolarHBondContact O-N 3.47Å; C331-E333 VanDerWaalsContact C-N 3.31Å; C331-E333 PolarHBondContact O-N 2.99Å
332D93.2Very high94Very high8 Ų857.5 Ų57.54%0.04330%0.299CS..  trans-68.588.4-179.2-159.33.7000110.4E328 I329 L330 L337 Y338 Q339 T340 R361E328-D332 WeakPolarHBondContact O-CB 3.48Å; E328-D332 PolarHBondContact O-N 3.29Å; I329-D332 WeakPolarHBondContact O-CB 3.31Å; I329-D332 PolarHBondContact O-N 3.27Å; L330-D332 VanDerWaalsContact C-N 3.31Å; D332-L337 HydrophobicContact CB-CD2 4.24Å; D332-L337 VanDerWaalsContact CG-CA 3.48Å; D332-L337 WeakPolarHBondContact O-CD2 3.46Å; D332-L337 WeakPolarHBondContact OD2-CA 3.39Å; D332-Y338 PolarHBondContact OD1-N 2.94Å; D332-Y338 VanDerWaalsContact OD1-N 3.14Å; D332-Y338 PolarHBondContact OD2-N 2.93Å; D332-Q339 HydrophobicContact CB-CB 4.14Å; D332-Q339 PolarHBondContact OD1-N 3.26Å; D332-Q339 PolarHBondContact OD2-N 3.06Å; D332-T340 WeakPolarHBondContact OD2-CB 3.12Å; D332-T340 PolarHBondContact OD2-N 3.33Å; D332-T340 PolarHBondContact OD2-OG1 2.82Å; D332-R361 PolarHBondContact O-NH1 3.29Å
333E83.1Confident94Very high178 Ų17855 Ų5583%0.83228%0.283SS*.  trans-84.7142.8177.9-69-178.7179.100110.7C331C331-E333 VanDerWaalsContact C-N 3.31Å; C331-E333 PolarHBondContact O-N 2.99Å
334G76.7Confident94.1Very high54 Ų5454.1 Ų54.156%0.55728%0.278SS*.SBendtrans105.4155.6176.700000114H336 L337G334-H336 PolarHBondContact O-N 3.28Å; G334-H336 VanDerWaalsContact O-N 3.08Å; G334-L337 PolarHBondContact O-N 3.21Å
335G82.6Confident94.1Very high53 Ų5352.8 Ų52.855%0.54628%0.277SS..THydrogen-bonded Turntrans-65.9-12.7-172.200000115.3Y354G335-Y354 WeakPolarHBondContact O-CE2 3.46Å; G335-Y354 PolarHBondContact O-OH 3.26Å
336H89Confident94.1Very high116 Ų11655.7 Ų55.754%0.53729%0.291SS..THydrogen-bonded Turntrans-93.9-20.5-175.9-69-57.2000114.9G334 Y338 R341G334-H336 PolarHBondContact O-N 3.28Å; G334-H336 VanDerWaalsContact O-N 3.08Å; H336-Y338 HydrophobicContact CB-CD2 3.95Å; H336-Y338 HydrophobicContact CB-CE1 4.11Å; H336-Y338 HydrophobicContact CB-CE2 3.51Å; H336-Y338 HydrophobicContact CB-CG 4.43Å; H336-Y338 PolarHBondContact CD2-OH 2.99Å; H336-Y338 AromaticContact CG-CZ 3.93Å; H336-R341 PolarHBondContact O-NE 3.05Å
337L93.9Very high94Very high8 Ų855.9 Ų55.94%0.04229%0.292CS..  trans50.359.4179.9-59.4173.6000113D332 G334 R341 Y354 L357 L358D332-L337 HydrophobicContact CB-CD2 4.24Å; D332-L337 VanDerWaalsContact CG-CA 3.48Å; D332-L337 WeakPolarHBondContact O-CD2 3.46Å; D332-L337 WeakPolarHBondContact OD2-CA 3.39Å; G334-L337 PolarHBondContact O-N 3.21Å; L337-R341 VanDerWaalsContact O-CG 3.27Å; L337-R341 WeakPolarHBondContact O-CG 3.35Å; L337-R341 PolarHBondContact O-N 3.09Å; L337-Y354 HydrophobicContact CD1-CE2 4.07Å; L337-L357 HydrophobicContact CB-CD1 4.16Å; L337-L357 HydrophobicContact CD1-CB 3.57Å; L337-L357 HydrophobicContact CD1-CD1 4.18Å; L337-L358 HydrophobicContact CD1-CD2 4.29Å
338Y94.8Very high94Very high156 Ų15656.5 Ų56.561%0.61230%0.301SS*.Hα-helixtrans-68.5-40.5-172.5-72.1-70.3000113.1D332 H336 T340 R341 Q342D332-Y338 PolarHBondContact OD1-N 2.94Å; D332-Y338 VanDerWaalsContact OD1-N 3.14Å; D332-Y338 PolarHBondContact OD2-N 2.93Å; H336-Y338 HydrophobicContact CB-CD2 3.95Å; H336-Y338 HydrophobicContact CB-CE1 4.11Å; H336-Y338 HydrophobicContact CB-CE2 3.51Å; H336-Y338 HydrophobicContact CB-CG 4.43Å; H336-Y338 PolarHBondContact CD2-OH 2.99Å; H336-Y338 AromaticContact CG-CZ 3.93Å; Y338-T340 VanDerWaalsContact C-N 3.34Å; Y338-R341 PolarHBondContact O-N 2.53Å; Y338-Q342 PolarHBondContact O-N 3.13Å
339Q95.4Very high94Very high81 Ų8154.1 Ų54.138%0.37929%0.29SS..Hα-helixtrans-68.1-39.8-179.4-60.5-176.4400110.6E328 D332 R341 Q342 I343E328-Q339 PolarHBondContact O-OE1 2.76Å; D332-Q339 HydrophobicContact CB-CB 4.14Å; D332-Q339 PolarHBondContact OD1-N 3.26Å; D332-Q339 PolarHBondContact OD2-N 3.06Å; Q339-R341 VanDerWaalsContact C-N 3.3Å; Q339-R341 PolarHBondContact O-N 2.98Å; Q339-Q342 PolarHBondContact O-N 3.05Å; Q339-I343 WeakPolarHBondContact O-CG1 3.4Å; Q339-I343 PolarHBondContact O-N 3.08Å
340T97.4Very high93.7Very high0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-60.4-41.4176.4-50.40000110.9I329 D332 Y338 I343 L344 L357 L360I329-T340 HydrophobicContact CG1-CG2 4.26Å; I329-T340 HydrophobicContact CG2-CG2 4.5Å; D332-T340 WeakPolarHBondContact OD2-CB 3.12Å; D332-T340 PolarHBondContact OD2-N 3.33Å; D332-T340 PolarHBondContact OD2-OG1 2.82Å; Y338-T340 VanDerWaalsContact C-N 3.34Å; T340-I343 PolarHBondContact O-N 3.5Å; T340-L344 WeakPolarHBondContact O-CG 3.47Å; T340-L344 PolarHBondContact O-N 3.44Å; T340-L344 VanDerWaalsContact O-N 3.08Å; T340-L357 HydrophobicContact CG2-CB 4.38Å; T340-L357 HydrophobicContact CG2-CD2 3.85Å; T340-L360 HydrophobicContact CG2-CD2 3.92Å
341R96.9Very high93.5Very high77 Ų7764.6 Ų64.629%0.29135%0.351SS..Hα-helixtrans-63.9-48175.3-70.2172.6-173.4-78.1-3.8112.1H336 L337 Y338 Q339 I343 L344 D345 Y352 L357H336-R341 PolarHBondContact O-NE 3.05Å; L337-R341 VanDerWaalsContact O-CG 3.27Å; L337-R341 WeakPolarHBondContact O-CG 3.35Å; L337-R341 PolarHBondContact O-N 3.09Å; Y338-R341 PolarHBondContact O-N 2.53Å; Q339-R341 VanDerWaalsContact C-N 3.3Å; Q339-R341 PolarHBondContact O-N 2.98Å; R341-I343 VanDerWaalsContact C-N 3.26Å; R341-I343 PolarHBondContact O-N 3.24Å; R341-L344 PolarHBondContact O-N 3.41Å; R341-L344 VanDerWaalsContact O-N 3.08Å; R341-D345 VanDerWaalsContact O-CG 3.23Å; R341-D345 PolarHBondContact O-N 3.44Å; R341-Y352 HydrophobicContact CG-CE2 3.97Å; R341-L357 HydrophobicContact CG-CD1 4.19Å; R341-L357 HydrophobicContact CG-CD2 4.48Å
342Q96.7Very high93.5Very high114 Ų11464.2 Ų64.253%0.53334%0.341SS..Hα-helixtrans-57.5-41.8177.4-174-173.7-27.400111.5Y338 Q339 L344 D345 E346Y338-Q342 PolarHBondContact O-N 3.13Å; Q339-Q342 PolarHBondContact O-N 3.05Å; Q342-L344 PolarHBondContact O-N 3.45Å; Q342-D345 PolarHBondContact O-N 3.13Å; Q342-E346 PolarHBondContact NE2-OE1 3.15Å; Q342-E346 WeakPolarHBondContact O-CB 3.27Å; Q342-E346 WeakPolarHBondContact O-CG 3.09Å; Q342-E346 PolarHBondContact O-N 3.22Å
343I97.9Very high93.6Very high4 Ų465.2 Ų65.22%0.02135%0.354CS..Hα-helixtrans-63.3-40.7176.6-72.3163.4000111.6Y325 E328 I329 Q339 T340 R341 D345 E346 L347Y325-I343 HydrophobicContact CD1-CD1 4.09Å; Y325-I343 HydrophobicContact CD1-CG1 3.95Å; Y325-I343 HydrophobicContact CD1-CG2 4.37Å; Y325-I343 HydrophobicContact CD2-CG2 3.49Å; Y325-I343 VanDerWaalsContact CD2-CG2 3.49Å; Y325-I343 HydrophobicContact CE1-CG1 4.3Å; Y325-I343 HydrophobicContact CE2-CG2 3.87Å; Y325-I343 HydrophobicContact CG-CD1 4.11Å; Y325-I343 HydrophobicContact CG-CG1 4.13Å; Y325-I343 HydrophobicContact CG-CG2 3.79Å; E328-I343 HydrophobicContact CB-CD1 3.85Å; I329-I343 HydrophobicContact CD1-CD1 4.22Å; I329-I343 HydrophobicContact CD1-CG2 4.44Å; I329-I343 HydrophobicContact CG1-CD1 3.73Å; Q339-I343 WeakPolarHBondContact O-CG1 3.4Å; Q339-I343 PolarHBondContact O-N 3.08Å; T340-I343 PolarHBondContact O-N 3.5Å; R341-I343 VanDerWaalsContact C-N 3.26Å; R341-I343 PolarHBondContact O-N 3.24Å; I343-D345 VanDerWaalsContact C-N 3.35Å; I343-E346 PolarHBondContact O-N 3.47Å; I343-L347 HydrophobicContact CG2-CD1 3.9Å; I343-L347 WeakPolarHBondContact O-CB 3.47Å; I343-L347 VanDerWaalsContact O-CG 3.26Å; I343-L347 WeakPolarHBondContact O-CG 3.48Å; I343-L347 PolarHBondContact O-N 2.98Å
344L98.2Very high94.2Very high1 Ų162.2 Ų62.21%0.00534%0.336CS..Hα-helixtrans-65.8-38.6175.9-71.8177.7000112.3F307 T340 R341 Q342 L347 G348 V349 Y352 L357 L360F307-L344 HydrophobicContact CE1-CD1 4.08Å; F307-L344 HydrophobicContact CE1-CD2 4.09Å; F307-L344 HydrophobicContact CE2-CD2 4.28Å; F307-L344 HydrophobicContact CZ-CD1 4.34Å; F307-L344 HydrophobicContact CZ-CD2 3.55Å; T340-L344 WeakPolarHBondContact O-CG 3.47Å; T340-L344 PolarHBondContact O-N 3.44Å; T340-L344 VanDerWaalsContact O-N 3.08Å; R341-L344 PolarHBondContact O-N 3.41Å; R341-L344 VanDerWaalsContact O-N 3.08Å; Q342-L344 PolarHBondContact O-N 3.45Å; L344-L347 CarbonylContact O-C 3.57Å; L344-L347 PolarHBondContact O-N 3.28Å; L344-G348 PolarHBondContact O-N 3.09Å; L344-V349 HydrophobicContact CB-CB 4.31Å; L344-V349 HydrophobicContact CD2-CB 4.25Å; L344-V349 HydrophobicContact CD2-CG2 4.14Å; L344-V349 PolarHBondContact O-N 3.49Å; L344-Y352 HydrophobicContact CB-CD1 4.17Å; L344-Y352 HydrophobicContact CB-CE1 3.75Å; L344-Y352 HydrophobicContact CD1-CD1 3.76Å; L344-Y352 HydrophobicContact CD1-CD2 3.89Å; L344-Y352 HydrophobicContact CD1-CE1 3.93Å; L344-Y352 HydrophobicContact CD1-CE2 4.07Å; L344-Y352 HydrophobicContact CD1-CG 3.74Å; L344-L357 HydrophobicContact CD1-CD2 3.41Å; L344-L357 VanDerWaalsContact CD1-CD2 3.41Å; L344-L360 HydrophobicContact CD2-CD2 3.96Å; L344-L360 HydrophobicContact CG-CD2 4.33Å
345D96.9Very high95.1Very high101 Ų10163.3 Ų63.354%0.5434%0.335SS..Hα-helixtrans-65.3-43175.1-59.9-12.2000110.6R341 Q342 I343 L347 G348 Y352R341-D345 VanDerWaalsContact O-CG 3.23Å; R341-D345 PolarHBondContact O-N 3.44Å; Q342-D345 PolarHBondContact O-N 3.13Å; I343-D345 VanDerWaalsContact C-N 3.35Å; D345-L347 VanDerWaalsContact C-N 3.25Å; D345-L347 PolarHBondContact O-N 3.13Å; D345-G348 PolarHBondContact O-N 3.33Å; D345-Y352 PolarHBondContact OD1-OH 3.33Å; D345-Y352 VanDerWaalsContact OD1-OH 3.06Å
346E97.7Very high95.8Very high91 Ų9161.4 Ų61.443%0.42531%0.312SS..Hα-helixtrans-62.2-32.2173.6-74.7177.7-153.900112.6L314 Y325 Q342 I343 G348L314-E346 WeakPolarHBondContact CD1-O 3.41Å; Y325-E346 PolarHBondContact OH-OE2 3.24Å; Q342-E346 PolarHBondContact NE2-OE1 3.15Å; Q342-E346 WeakPolarHBondContact O-CB 3.27Å; Q342-E346 WeakPolarHBondContact O-CG 3.09Å; Q342-E346 PolarHBondContact O-N 3.22Å; I343-E346 PolarHBondContact O-N 3.47Å; E346-G348 VanDerWaalsContact C-N 3.28Å
347L98Very high96.2Very high4 Ų455.9 Ų55.92%0.02129%0.286CS..THydrogen-bonded Turntrans-82.4-1.5173.1-70168.7000112.6S312 L315 F321 Y325 I343 L344 D345 V349S312-L347 VanDerWaalsContact CB-O 3.25Å; S312-L347 WeakPolarHBondContact CB-O 3.17Å; S312-L347 PolarHBondContact OG-O 3.3Å; L315-L347 HydrophobicContact CD1-CD1 4.26Å; F321-L347 HydrophobicContact CD2-CD1 3.79Å; F321-L347 HydrophobicContact CE2-CD1 3.94Å; Y325-L347 HydrophobicContact CD2-CD1 4.44Å; Y325-L347 HydrophobicContact CE2-CD1 4.3Å; Y325-L347 HydrophobicContact CE2-CD2 4.17Å; Y325-L347 HydrophobicContact CE2-CG 4.16Å; I343-L347 HydrophobicContact CG2-CD1 3.9Å; I343-L347 WeakPolarHBondContact O-CB 3.47Å; I343-L347 VanDerWaalsContact O-CG 3.26Å; I343-L347 WeakPolarHBondContact O-CG 3.48Å; I343-L347 PolarHBondContact O-N 2.98Å; L344-L347 CarbonylContact O-C 3.57Å; L344-L347 PolarHBondContact O-N 3.28Å; D345-L347 VanDerWaalsContact C-N 3.25Å; D345-L347 PolarHBondContact O-N 3.13Å; L347-V349 HydrophobicContact CB-CG2 4.29Å
348G97.6Very high96.2Very high29 Ų2959.3 Ų59.330%0.29931%0.305SS..THydrogen-bonded Turntrans67.631.7179.600000114.4S312 L344 D345 E346S312-G348 WeakPolarHBondContact CB-O 3.1Å; L344-G348 PolarHBondContact O-N 3.09Å; D345-G348 PolarHBondContact O-N 3.33Å; E346-G348 VanDerWaalsContact C-N 3.28Å
349V97.6Very high96.4Very high2 Ų253.1 Ų53.11%0.01228%0.283CS..  trans-90.6101.1175-176.70000109.3F307 L315 L344 L347 Y352F307-V349 HydrophobicContact CB-CG1 4.3Å; F307-V349 HydrophobicContact CD1-CG1 3.97Å; F307-V349 HydrophobicContact CD2-CG1 3.84Å; F307-V349 HydrophobicContact CE1-CG1 4.24Å; F307-V349 HydrophobicContact CE2-CG1 4.16Å; F307-V349 HydrophobicContact CE2-CG2 4.44Å; F307-V349 HydrophobicContact CG-CG1 3.78Å; F307-V349 HydrophobicContact CZ-CG1 4.36Å; L315-V349 HydrophobicContact CD2-CG2 4.13Å; L344-V349 HydrophobicContact CB-CB 4.31Å; L344-V349 HydrophobicContact CD2-CB 4.25Å; L344-V349 HydrophobicContact CD2-CG2 4.14Å; L344-V349 PolarHBondContact O-N 3.49Å; L347-V349 HydrophobicContact CB-CG2 4.29Å; V349-Y352 HydrophobicContact CG1-CD1 4.11Å; V349-Y352 WeakPolarHBondContact O-CD1 3.45Å; V349-Y352 VanDerWaalsContact O-CE1 3.3Å; V349-Y352 WeakPolarHBondContact O-CE1 3.39Å
350D91Very high96.5Very high164 Ų16449.4 Ų49.488%0.87727%0.265SS*.  trans-79.5-18.9-170.6-62.3-40.2000115.1
351S93.3Very high96.5Very high57 Ų5752 Ų5240%0.39928%0.275SS..  trans-136.7109.5-172.4-160.50000111.8
352Y96.5Very high96.5Very high50 Ų5052.6 Ų52.620%0.19628%0.281CS..  trans-150147.2176.955.1-97.1000111.1R341 L344 D345 V349 D356 L357R341-Y352 HydrophobicContact CG-CE2 3.97Å; L344-Y352 HydrophobicContact CB-CD1 4.17Å; L344-Y352 HydrophobicContact CB-CE1 3.75Å; L344-Y352 HydrophobicContact CD1-CD1 3.76Å; L344-Y352 HydrophobicContact CD1-CD2 3.89Å; L344-Y352 HydrophobicContact CD1-CE1 3.93Å; L344-Y352 HydrophobicContact CD1-CE2 4.07Å; L344-Y352 HydrophobicContact CD1-CG 3.74Å; D345-Y352 PolarHBondContact OD1-OH 3.33Å; D345-Y352 VanDerWaalsContact OD1-OH 3.06Å; V349-Y352 HydrophobicContact CG1-CD1 4.11Å; V349-Y352 WeakPolarHBondContact O-CD1 3.45Å; V349-Y352 VanDerWaalsContact O-CE1 3.3Å; V349-Y352 WeakPolarHBondContact O-CE1 3.39Å; Y352-D356 WeakPolarHBondContact CA-OD2 3.27Å; Y352-L357 HydrophobicContact CD2-CD2 3.76Å; Y352-L357 HydrophobicContact CD2-CG 4.36Å; Y352-L357 HydrophobicContact CE2-CD2 3.94Å
353G94.6Very high96.6Very high30 Ų3047.1 Ų47.131%0.30926%0.256SS..  trans-100174.9173.200000112.2S355 D356 L357G353-S355 VanDerWaalsContact C-N 3.26Å; G353-S355 PolarHBondContact O-N 3.21Å; G353-D356 PolarHBondContact N-OD2 3.4Å; G353-D356 WeakPolarHBondContact O-CB 3.16Å; G353-D356 PolarHBondContact O-N 3.29Å; G353-L357 PolarHBondContact O-N 2.88Å
354Y95.4Very high96.6Very high114 Ų11447 Ų4745%0.44726%0.255SS..Hα-helixtrans-61.4-35.4176.5-173.3-109000112.8G335 L337 D356 L357 L358G335-Y354 WeakPolarHBondContact O-CE2 3.46Å; G335-Y354 PolarHBondContact O-OH 3.26Å; L337-Y354 HydrophobicContact CD1-CE2 4.07Å; Y354-D356 VanDerWaalsContact C-N 3.3Å; Y354-D356 PolarHBondContact O-N 2.93Å; Y354-L357 HydrophobicContact CD2-CD1 4.27Å; Y354-L357 WeakPolarHBondContact O-CB 3.42Å; Y354-L357 PolarHBondContact O-N 3.32Å; Y354-L358 HydrophobicContact CD1-CD1 4.04Å; Y354-L358 HydrophobicContact CD1-CG 4.33Å; Y354-L358 HydrophobicContact CE1-CD1 3.73Å; Y354-L358 HydrophobicContact CE1-CD2 4.17Å; Y354-L358 HydrophobicContact CE1-CG 4.03Å; Y354-L358 PolarHBondContact O-N 2.9Å
355S95.1Very high96.6Very high77 Ų7749.1 Ų49.154%0.53827%0.266SS..Hα-helixtrans-60.2-38.3175.151.80000112.5G353 L357 L358 V359G353-S355 VanDerWaalsContact C-N 3.26Å; G353-S355 PolarHBondContact O-N 3.21Å; S355-L357 VanDerWaalsContact C-N 3.3Å; S355-L357 PolarHBondContact O-N 3.33Å; S355-L358 PolarHBondContact O-N 2.86Å; S355-V359 WeakPolarHBondContact O-CG2 3.41Å; S355-V359 PolarHBondContact O-N 3.29Å
356D97.3Very high96.7Very high13 Ų1345 Ų457%0.0725%0.245CC..Hα-helixtrans-64.2-37.5178.6-62.8-57.7000111.5L306 F307 Y352 G353 Y354 V359 L360L306-D356 WeakPolarHBondContact CA-OD1 3.36Å; L306-D356 HydrophobicContact CD2-CB 3.88Å; F307-D356 HydrophobicContact CD1-CB 3.68Å; F307-D356 HydrophobicContact CE1-CB 3.59Å; F307-D356 PolarHBondContact N-OD1 2.99Å; Y352-D356 WeakPolarHBondContact CA-OD2 3.27Å; G353-D356 PolarHBondContact N-OD2 3.4Å; G353-D356 WeakPolarHBondContact O-CB 3.16Å; G353-D356 PolarHBondContact O-N 3.29Å; Y354-D356 VanDerWaalsContact C-N 3.3Å; Y354-D356 PolarHBondContact O-N 2.93Å; D356-V359 PolarHBondContact O-N 3.17Å; D356-L360 WeakPolarHBondContact O-CB 3.34Å; D356-L360 PolarHBondContact O-N 2.97Å
357L97.1Very high96.8Very high0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-64.1-42176.5-53.2179.6000111.5L337 T340 R341 L344 Y352 G353 Y354 S355 L360 R361L337-L357 HydrophobicContact CB-CD1 4.16Å; L337-L357 HydrophobicContact CD1-CB 3.57Å; L337-L357 HydrophobicContact CD1-CD1 4.18Å; T340-L357 HydrophobicContact CG2-CB 4.38Å; T340-L357 HydrophobicContact CG2-CD2 3.85Å; R341-L357 HydrophobicContact CG-CD1 4.19Å; R341-L357 HydrophobicContact CG-CD2 4.48Å; L344-L357 HydrophobicContact CD1-CD2 3.41Å; L344-L357 VanDerWaalsContact CD1-CD2 3.41Å; Y352-L357 HydrophobicContact CD2-CD2 3.76Å; Y352-L357 HydrophobicContact CD2-CG 4.36Å; Y352-L357 HydrophobicContact CE2-CD2 3.94Å; G353-L357 PolarHBondContact O-N 2.88Å; Y354-L357 HydrophobicContact CD2-CD1 4.27Å; Y354-L357 WeakPolarHBondContact O-CB 3.42Å; Y354-L357 PolarHBondContact O-N 3.32Å; S355-L357 VanDerWaalsContact C-N 3.3Å; S355-L357 PolarHBondContact O-N 3.33Å; L357-L360 PolarHBondContact O-N 3.17Å; L357-R361 WeakPolarHBondContact O-CB 3.26Å; L357-R361 PolarHBondContact O-N 3.49Å
358L95.9Very high96.8Very high81 Ų8140.5 Ų40.542%0.42422%0.223SC..Hα-helixtrans-65.6-42.3176.6-63.8-179.4000111.6L337 Y354 S355 R361 E362L337-L358 HydrophobicContact CD1-CD2 4.29Å; Y354-L358 HydrophobicContact CD1-CD1 4.04Å; Y354-L358 HydrophobicContact CD1-CG 4.33Å; Y354-L358 HydrophobicContact CE1-CD1 3.73Å; Y354-L358 HydrophobicContact CE1-CD2 4.17Å; Y354-L358 HydrophobicContact CE1-CG 4.03Å; Y354-L358 PolarHBondContact O-N 2.9Å; S355-L358 PolarHBondContact O-N 2.86Å; L358-R361 PolarHBondContact O-N 3.35Å; L358-E362 WeakPolarHBondContact O-CB 3.49Å; L358-E362 PolarHBondContact O-N 3.2Å
359V97.1Very high96.9Very high26 Ų2642.9 Ų42.916%0.15822%0.223CC..Hα-helixtrans-65.2-43.6177.3172.10000111L10 L300 L306 S355 D356 R361 E362 V363L10-V359 HydrophobicContact CD1-CG1 3.78Å; L10-V359 HydrophobicContact CD2-CB 4.44Å; L10-V359 HydrophobicContact CD2-CG1 3.9Å; L10-V359 HydrophobicContact CD2-CG2 3.98Å; L10-V359 HydrophobicContact CG-CG1 4.47Å; L300-V359 HydrophobicContact CD1-CG1 4.17Å; L306-V359 HydrophobicContact CD1-CG1 4.16Å; L306-V359 HydrophobicContact CD2-CB 3.71Å; L306-V359 HydrophobicContact CD2-CG1 3.58Å; L306-V359 HydrophobicContact CG-CG1 3.88Å; S355-V359 WeakPolarHBondContact O-CG2 3.41Å; S355-V359 PolarHBondContact O-N 3.29Å; D356-V359 PolarHBondContact O-N 3.17Å; V359-R361 VanDerWaalsContact C-N 3.31Å; V359-R361 PolarHBondContact O-N 3.4Å; V359-E362 PolarHBondContact O-N 2.75Å; V359-E362 VanDerWaalsContact O-N 3.17Å; V359-V363 WeakPolarHBondContact O-CG2 3.26Å; V359-V363 PolarHBondContact O-N 3.43Å
360L98Very high96.9Very high2 Ų243 Ų431%0.0122%0.223CC..Hα-helixtrans-59.8-43175.1176.659.8000111.6V297 F321 I329 T340 L344 D356 L357 E362 V363 C364V297-L360 HydrophobicContact CG2-CD1 3.64Å; F321-L360 HydrophobicContact CE2-CD1 4.36Å; F321-L360 HydrophobicContact CZ-CD1 4.28Å; I329-L360 HydrophobicContact CD1-CD1 4.49Å; I329-L360 HydrophobicContact CD1-CD2 3.96Å; I329-L360 HydrophobicContact CD1-CG 4.1Å; T340-L360 HydrophobicContact CG2-CD2 3.92Å; L344-L360 HydrophobicContact CD2-CD2 3.96Å; L344-L360 HydrophobicContact CG-CD2 4.33Å; D356-L360 WeakPolarHBondContact O-CB 3.34Å; D356-L360 PolarHBondContact O-N 2.97Å; L357-L360 PolarHBondContact O-N 3.17Å; L360-E362 VanDerWaalsContact C-N 3.33Å; L360-E362 PolarHBondContact O-N 2.95Å; L360-V363 PolarHBondContact O-N 3.34Å; L360-C364 PolarHBondContact O-N 3.26Å; L360-C364 PolarHBondContact O-SG 3.04Å
361R97.4Very high97.3Very high54 Ų5435.2 Ų35.220%0.20418%0.182CC..Hα-helixtrans-61.2-42.1174.8-173.8179.9174.288.74.1111.5I329 L330 D332 L357 L358 V359 C364 M365I329-R361 HydrophobicContact CG2-CB 4.11Å; I329-R361 HydrophobicContact CG2-CG 4.28Å; I329-R361 PolarHBondContact O-NH1 3.07Å; L330-R361 HydrophobicContact CD2-CG 4.12Å; L330-R361 PolarHBondContact O-NH1 2.99Å; L330-R361 PolarHBondContact O-NH2 3.16Å; D332-R361 PolarHBondContact O-NH1 3.29Å; L357-R361 WeakPolarHBondContact O-CB 3.26Å; L357-R361 PolarHBondContact O-N 3.49Å; L358-R361 PolarHBondContact O-N 3.35Å; V359-R361 VanDerWaalsContact C-N 3.31Å; V359-R361 PolarHBondContact O-N 3.4Å; R361-C364 WeakPolarHBondContact O-CB 3.35Å; R361-C364 PolarHBondContact O-N 3.05Å; R361-M365 WeakPolarHBondContact O-CB 3.12Å; R361-M365 PolarHBondContact O-N 3.16Å
362E97.5Very high97.6Very high90 Ų9032.5 Ų32.542%0.42116%0.163SC..Hα-helixtrans-65.7-38.9178.6-172.957.3-15200112.6L14 L358 V359 L360 M365 T366L14-E362 HydrophobicContact CD1-CG 3.87Å; L358-E362 WeakPolarHBondContact O-CB 3.49Å; L358-E362 PolarHBondContact O-N 3.2Å; V359-E362 PolarHBondContact O-N 2.75Å; V359-E362 VanDerWaalsContact O-N 3.17Å; L360-E362 VanDerWaalsContact C-N 3.33Å; L360-E362 PolarHBondContact O-N 2.95Å; E362-M365 WeakPolarHBondContact O-CB 3.41Å; E362-M365 PolarHBondContact O-N 3.49Å; E362-T366 WeakPolarHBondContact O-CB 3.26Å; E362-T366 PolarHBondContact O-N 3.5Å; E362-T366 PolarHBondContact O-OG1 3.1Å; E362-T366 VanDerWaalsContact O-OG1 3.04Å; E362-T366 PolarHBondContact OE1-OG1 2.99Å
363V98.7Very high97.7Very high0 Ų030.8 Ų30.80%016%0.157CC..Hα-helixtrans-60.4-48.8172.1174.30000110.4L10 L14 V293 V296 V297 L300 V359 L360 M365 T366 V367L10-V363 HydrophobicContact CD1-CG2 4.41Å; L14-V363 HydrophobicContact CD2-CG2 4.1Å; V293-V363 HydrophobicContact CG1-CG1 4.04Å; V293-V363 HydrophobicContact CG2-CG1 4.44Å; V296-V363 HydrophobicContact CB-CG1 3.84Å; V296-V363 HydrophobicContact CG1-CB 4.4Å; V296-V363 HydrophobicContact CG1-CG1 3.54Å; V296-V363 HydrophobicContact CG1-CG2 3.9Å; V297-V363 HydrophobicContact CG2-CG1 4.34Å; L300-V363 HydrophobicContact CD1-CG2 3.63Å; V359-V363 WeakPolarHBondContact O-CG2 3.26Å; V359-V363 PolarHBondContact O-N 3.43Å; L360-V363 PolarHBondContact O-N 3.34Å; V363-M365 VanDerWaalsContact C-N 3.3Å; V363-M365 PolarHBondContact O-N 3.17Å; V363-T366 PolarHBondContact O-N 3.35Å; V363-V367 HydrophobicContact CG1-CG2 4.42Å; V363-V367 WeakPolarHBondContact O-CG2 3.17Å; V363-V367 PolarHBondContact O-N 3.27Å
364C98.6Very high97.9Very high0 Ų029.4 Ų29.40%014%0.142CC..Hα-helixtrans-58.8-43.1177.2-69.10000111.4I326 I329 L330 L360 R361 S368I326-C364 HydrophobicContact CG2-CB 4.06Å; I329-C364 HydrophobicContact CG2-CB 4.35Å; L330-C364 HydrophobicContact CD1-CB 4.48Å; L330-C364 HydrophobicContact CD2-CB 4.12Å; L330-C364 HydrophobicContact CG-CB 4.16Å; L360-C364 PolarHBondContact O-N 3.26Å; L360-C364 PolarHBondContact O-SG 3.04Å; R361-C364 WeakPolarHBondContact O-CB 3.35Å; R361-C364 PolarHBondContact O-N 3.05Å; C364-S368 WeakPolarHBondContact O-CB 3.37Å; C364-S368 PolarHBondContact O-N 3.23Å; C364-S368 PolarHBondContact O-OG 3.18Å
365M98.2Very high98Very high46 Ų4624 Ų2423%0.22712%0.121CC..Hα-helixtrans-61-51.4177.8-169.271.97300111.2L330 R361 E362 V363 S368 R369 F405 W409L330-M365 HydrophobicContact CD2-CB 4.22Å; L330-M365 HydrophobicContact CD2-CE 3.74Å; L330-M365 HydrophobicContact CD2-SD 4.15Å; R361-M365 WeakPolarHBondContact O-CB 3.12Å; R361-M365 PolarHBondContact O-N 3.16Å; E362-M365 WeakPolarHBondContact O-CB 3.41Å; E362-M365 PolarHBondContact O-N 3.49Å; V363-M365 VanDerWaalsContact C-N 3.3Å; V363-M365 PolarHBondContact O-N 3.17Å; M365-S368 PolarHBondContact O-N 3.11Å; M365-R369 VanDerWaalsContact O-CB 3.26Å; M365-R369 WeakPolarHBondContact O-CB 3.34Å; M365-R369 PolarHBondContact O-N 3.08Å; M365-F405 HydrophobicContact CE-CE2 4.11Å; M365-F405 HydrophobicContact SD-CD2 4.25Å; M365-F405 HydrophobicContact SD-CE2 4.4Å; M365-W409 HydrophobicContact CG-CH2 4.36Å; M365-W409 HydrophobicContact SD-CH2 3.37Å; M365-W409 WeakPolarHBondContact SD-CH2 3.36Å; M365-W409 HydrophobicContact SD-CZ2 3.32Å; M365-W409 WeakPolarHBondContact SD-CZ2 3.25Å
366T98.7Very high98.2Very high16 Ų1620.3 Ų20.310%0.09810%0.096CC..Hα-helixtrans-64.5-49.7-175-66.80000112L14 F17 E362 V363 S368 R369 R370L14-T366 HydrophobicContact CB-CG2 4.19Å; L14-T366 HydrophobicContact CD2-CG2 4.15Å; F17-T366 HydrophobicContact CB-CG2 3.71Å; F17-T366 HydrophobicContact CG-CG2 4.44Å; E362-T366 WeakPolarHBondContact O-CB 3.26Å; E362-T366 PolarHBondContact O-N 3.5Å; E362-T366 PolarHBondContact O-OG1 3.1Å; E362-T366 VanDerWaalsContact O-OG1 3.04Å; E362-T366 PolarHBondContact OE1-OG1 2.99Å; V363-T366 PolarHBondContact O-N 3.35Å; T366-S368 VanDerWaalsContact C-N 3.32Å; T366-S368 PolarHBondContact O-N 3.01Å; T366-R369 PolarHBondContact O-N 3.08Å; T366-R370 PolarHBondContact O-N 2.92Å
367V98.8Very high98.3Very high0 Ų019.7 Ų19.70%09%0.092CC..Hα-helixtrans-63.2-40.9-179.6175.60000110.8F17 M289 L292 V293 V363 R370 S371F17-V367 HydrophobicContact CD1-CG2 4.12Å; F17-V367 HydrophobicContact CD2-CG2 4.47Å; F17-V367 HydrophobicContact CE1-CG1 4.43Å; F17-V367 HydrophobicContact CE1-CG2 3.94Å; F17-V367 HydrophobicContact CE2-CG2 4.31Å; F17-V367 HydrophobicContact CG-CG2 4.38Å; F17-V367 HydrophobicContact CZ-CG2 4.03Å; M289-V367 HydrophobicContact CG-CG1 4.13Å; L292-V367 HydrophobicContact CB-CG1 3.96Å; L292-V367 HydrophobicContact CD1-CG1 4.48Å; V293-V367 HydrophobicContact CG2-CB 3.87Å; V293-V367 HydrophobicContact CG2-CG1 4Å; V293-V367 HydrophobicContact CG2-CG2 4.01Å; V363-V367 HydrophobicContact CG1-CG2 4.42Å; V363-V367 WeakPolarHBondContact O-CG2 3.17Å; V363-V367 PolarHBondContact O-N 3.27Å; V367-R370 WeakPolarHBondContact O-CB 3.1Å; V367-R370 PolarHBondContact O-N 3.31Å; V367-S371 PolarHBondContact O-N 2.87Å; V367-S371 VanDerWaalsContact O-N 3.09Å
368S98.8Very high98.4Very high0 Ų019.7 Ų19.70%09%0.092CC..Hα-helixtrans-70.2-39.6179.5-54.70000112.2I326 C364 M365 T366 R370 S371 A372 H403I326-S368 VanDerWaalsContact CG2-OG 3.24Å; I326-S368 WeakPolarHBondContact CG2-OG 3.47Å; C364-S368 WeakPolarHBondContact O-CB 3.37Å; C364-S368 PolarHBondContact O-N 3.23Å; C364-S368 PolarHBondContact O-OG 3.18Å; M365-S368 PolarHBondContact O-N 3.11Å; T366-S368 VanDerWaalsContact C-N 3.32Å; T366-S368 PolarHBondContact O-N 3.01Å; S368-R370 VanDerWaalsContact C-N 3.33Å; S368-R370 PolarHBondContact O-N 2.9Å; S368-S371 PolarHBondContact O-N 2.83Å; S368-A372 PolarHBondContact O-N 2.67Å; S368-H403 WeakPolarHBondContact CB-NE2 3.4Å; S368-H403 PolarHBondContact OG-NE2 3.17Å
369R98.7Very high98.5Very high78 Ų7815.8 Ų15.829%0.2947%0.072SC..Hα-helixtrans-63-40.2174.9-171.174.4-166.7-142.62.5111.1M365 T366 A372 N373 W409M365-R369 VanDerWaalsContact O-CB 3.26Å; M365-R369 WeakPolarHBondContact O-CB 3.34Å; M365-R369 PolarHBondContact O-N 3.08Å; T366-R369 PolarHBondContact O-N 3.08Å; R369-A372 PolarHBondContact O-N 3.49Å; R369-N373 WeakPolarHBondContact O-CB 3.45Å; R369-N373 PolarHBondContact O-N 3.34Å; R369-N373 PolarHBondContact O-OD1 2.95Å; R369-W409 HydrophobicContact CB-CE3 4.26Å; R369-W409 HydrophobicContact CB-CH2 4.43Å; R369-W409 HydrophobicContact CB-CZ3 4.14Å
370R98.8Very high98.5Very high5 Ų514.6 Ų14.62%0.0197%0.065CC..Hα-helixtrans-57.9-49.6172.5-176.2-83.1-61.7-136.1-5.6111.3F17 L19 D265 M283 T366 V367 S368 A372 N373 L374F17-R370 HydrophobicContact CB-CB 4.08Å; F17-R370 HydrophobicContact CB-CG 4.15Å; F17-R370 HydrophobicContact CD1-CB 4.43Å; F17-R370 HydrophobicContact CD1-CG 4.25Å; F17-R370 VanDerWaalsContact O-CB 3.26Å; F17-R370 WeakPolarHBondContact O-CB 3.25Å; F17-R370 WeakPolarHBondContact O-CG 3.38Å; L19-R370 HydrophobicContact CD1-CG 4.37Å; D265-R370 IonicContact OD1-CZ 3.73Å; D265-R370 IonicContact OD1-NH1 3.38Å; D265-R370 PolarHBondContact OD1-NH1 2.94Å; D265-R370 IonicContact OD1-NH2 2.71Å; D265-R370 PolarHBondContact OD1-NH2 3.21Å; D265-R370 IonicContact OD2-NH1 2.74Å; D265-R370 PolarHBondContact OD2-NH1 3.4Å; M283-R370 VanDerWaalsContact CB-NH1 3.26Å; M283-R370 PolarHBondContact O-NE 3.14Å; M283-R370 PolarHBondContact O-NH1 2.92Å; T366-R370 PolarHBondContact O-N 2.92Å; V367-R370 WeakPolarHBondContact O-CB 3.1Å; V367-R370 PolarHBondContact O-N 3.31Å; S368-R370 VanDerWaalsContact C-N 3.33Å; S368-R370 PolarHBondContact O-N 2.9Å; R370-A372 PolarHBondContact O-N 3.44Å; R370-N373 PolarHBondContact O-N 3.08Å; R370-L374 VanDerWaalsContact CD-CD1 3.45Å; R370-L374 WeakPolarHBondContact O-CG 3.26Å; R370-L374 PolarHBondContact O-N 2.77Å
371S98.8Very high98.6Very high1 Ų114.8 Ų14.81%0.0077%0.066CC..Hα-helixtrans-58.4-48.2177.31630000112V284 M289 V367 S368 N373 L374 C375 F406V284-S371 WeakPolarHBondContact CA-OG 3.23Å; V284-S371 PolarHBondContact O-OG 3.28Å; M289-S371 WeakPolarHBondContact CE-OG 3.45Å; V367-S371 PolarHBondContact O-N 2.87Å; V367-S371 VanDerWaalsContact O-N 3.09Å; S368-S371 PolarHBondContact O-N 2.83Å; S371-N373 VanDerWaalsContact C-N 3.34Å; S371-N373 PolarHBondContact O-N 3.27Å; S371-L374 PolarHBondContact O-N 2.99Å; S371-C375 WeakPolarHBondContact O-CB 3.45Å; S371-C375 PolarHBondContact O-N 3.25Å; S371-F406 WeakPolarHBondContact OG-CE2 3.11Å; S371-F406 WeakPolarHBondContact OG-CZ 3.28Å
372A98.8Very high98.6Very high0 Ų012.2 Ų12.20%06%0.056CC..Hα-helixtrans-60.9-40.7177.800000112.4S368 R369 R370 C375 A376 F406 W409 V410S368-A372 PolarHBondContact O-N 2.67Å; R369-A372 PolarHBondContact O-N 3.49Å; R370-A372 PolarHBondContact O-N 3.44Å; A372-C375 PolarHBondContact O-N 3.08Å; A372-A376 VanDerWaalsContact O-CB 3.29Å; A372-A376 WeakPolarHBondContact O-CB 3.37Å; A372-A376 PolarHBondContact O-N 3.4Å; A372-F406 HydrophobicContact CB-CD1 4.33Å; A372-F406 HydrophobicContact CB-CD2 4.24Å; A372-F406 HydrophobicContact CB-CE1 4.19Å; A372-F406 HydrophobicContact CB-CE2 4.06Å; A372-F406 HydrophobicContact CB-CG 4.38Å; A372-F406 HydrophobicContact CB-CZ 4.05Å; A372-W409 HydrophobicContact CB-CB 3.8Å; A372-W409 HydrophobicContact CB-CE3 4.02Å; A372-V410 HydrophobicContact CB-CG2 4.04Å
373N98.9Very high98.6Very high14 Ų148 Ų88%0.0754%0.037CC..Hα-helixtrans-67.2-40178.5-72.5-8.3000112.6L24 R369 R370 S371 A376 A377 K413L24-N373 HydrophobicContact CD1-CB 4.1Å; L24-N373 HydrophobicContact CD2-CB 4.49Å; R369-N373 WeakPolarHBondContact O-CB 3.45Å; R369-N373 PolarHBondContact O-N 3.34Å; R369-N373 PolarHBondContact O-OD1 2.95Å; R370-N373 PolarHBondContact O-N 3.08Å; S371-N373 VanDerWaalsContact C-N 3.34Å; S371-N373 PolarHBondContact O-N 3.27Å; N373-A376 PolarHBondContact O-N 3.1Å; N373-A377 PolarHBondContact O-N 2.91Å; N373-K413 HydrophobicContact CB-CG 4.22Å; N373-K413 WeakPolarHBondContact OD1-CE 3.47Å
374L98.9Very high98.4Very high0 Ų09.4 Ų9.40%04%0.044CC..Hα-helixtrans-64.3-45.4174.3-73.7-178.5000111.5L19 L24 M27 I260 F280 M283 V284 R370 S371 A376 A377 A378L19-L374 HydrophobicContact CD1-CD2 3.46Å; L19-L374 VanDerWaalsContact CD1-CD2 3.46Å; L19-L374 HydrophobicContact CD1-CG 4Å; L24-L374 HydrophobicContact CD2-CD2 4.08Å; M27-L374 HydrophobicContact SD-CD2 3.59Å; M27-L374 VanDerWaalsContact SD-CD2 3.59Å; I260-L374 HydrophobicContact CB-CD2 4.47Å; I260-L374 HydrophobicContact CD1-CD2 3.66Å; F280-L374 HydrophobicContact CE2-CB 3.99Å; F280-L374 HydrophobicContact CZ-CB 4.2Å; M283-L374 HydrophobicContact CB-CD1 3.79Å; M283-L374 HydrophobicContact SD-CD1 4.44Å; V284-L374 HydrophobicContact CG2-CB 3.69Å; V284-L374 HydrophobicContact CG2-CD1 4.08Å; R370-L374 VanDerWaalsContact CD-CD1 3.45Å; R370-L374 WeakPolarHBondContact O-CG 3.26Å; R370-L374 PolarHBondContact O-N 2.77Å; S371-L374 PolarHBondContact O-N 2.99Å; L374-A376 VanDerWaalsContact C-N 3.34Å; L374-A376 PolarHBondContact O-N 3.28Å; L374-A377 PolarHBondContact O-N 3.04Å; L374-A378 PolarHBondContact O-N 2.92Å
375C98.8Very high98.2Very high0 Ų011.8 Ų11.80%05%0.053CC..Hα-helixtrans-58.3-46173.9178.80000111.5V284 S371 A372 A377 A378 I379 F406 V410V284-C375 HydrophobicContact CG1-CB 3.95Å; S371-C375 WeakPolarHBondContact O-CB 3.45Å; S371-C375 PolarHBondContact O-N 3.25Å; A372-C375 PolarHBondContact O-N 3.08Å; C375-A377 VanDerWaalsContact C-N 3.34Å; C375-A377 PolarHBondContact O-N 3Å; C375-A378 PolarHBondContact O-N 3.29Å; C375-I379 WeakPolarHBondContact O-CG1 3.37Å; C375-I379 PolarHBondContact O-N 2.84Å; C375-F406 HydrophobicContact CB-CE1 4.32Å; C375-F406 HydrophobicContact CB-CZ 4.42Å; C375-V410 HydrophobicContact CB-CG2 4.46Å
376A98.7Very high98.1Very high0 Ų011 Ų110%05%0.049CC..Hα-helixtrans-60.2-41.1176.500000112.8A372 N373 L374 I379 A380 V410 K413 V414A372-A376 VanDerWaalsContact O-CB 3.29Å; A372-A376 WeakPolarHBondContact O-CB 3.37Å; A372-A376 PolarHBondContact O-N 3.4Å; N373-A376 PolarHBondContact O-N 3.1Å; L374-A376 VanDerWaalsContact C-N 3.34Å; L374-A376 PolarHBondContact O-N 3.28Å; A376-I379 PolarHBondContact O-N 2.64Å; A376-A380 VanDerWaalsContact O-CB 3.29Å; A376-A380 WeakPolarHBondContact O-CB 3.34Å; A376-A380 PolarHBondContact O-N 2.78Å; A376-V410 HydrophobicContact CB-CG1 4.28Å; A376-K413 HydrophobicContact CB-CB 3.59Å; A376-K413 HydrophobicContact CB-CG 3.67Å; A376-V414 HydrophobicContact CB-CG2 3.75Å
377A98.8Very high97.7Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-63.9-42.2176.100000111.9L24 M27 M28 N373 L374 C375 A380 C381 L417L24-A377 HydrophobicContact CB-CB 4.15Å; L24-A377 HydrophobicContact CD2-CB 4.08Å; M27-A377 HydrophobicContact CE-CB 4.35Å; M27-A377 HydrophobicContact SD-CB 4Å; M28-A377 HydrophobicContact CG-CB 4.17Å; M28-A377 VanDerWaalsContact CG-O 3.32Å; M28-A377 WeakPolarHBondContact CG-O 3.48Å; N373-A377 PolarHBondContact O-N 2.91Å; L374-A377 PolarHBondContact O-N 3.04Å; C375-A377 VanDerWaalsContact C-N 3.34Å; C375-A377 PolarHBondContact O-N 3Å; A377-A380 PolarHBondContact O-N 2.72Å; A377-C381 WeakPolarHBondContact O-CB 3.4Å; A377-C381 PolarHBondContact O-N 3.34Å; A377-L417 HydrophobicContact CB-CD1 3.74Å
378A98.8Very high97.1Very high0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-62.3-45174.500000111.9M27 L31 W248 F280 L374 C375 C381 V382M27-A378 HydrophobicContact CE-CB 4.12Å; L31-A378 HydrophobicContact CD2-CB 3.91Å; W248-A378 HydrophobicContact CD2-CB 4.19Å; W248-A378 HydrophobicContact CE3-CB 3.95Å; W248-A378 HydrophobicContact CH2-CB 4.08Å; W248-A378 HydrophobicContact CZ2-CB 4.32Å; W248-A378 HydrophobicContact CZ3-CB 3.88Å; F280-A378 HydrophobicContact CE1-CB 4.02Å; F280-A378 HydrophobicContact CZ-CB 3.93Å; L374-A378 PolarHBondContact O-N 2.92Å; C375-A378 PolarHBondContact O-N 3.29Å; A378-C381 WeakPolarHBondContact O-CB 3.33Å; A378-C381 PolarHBondContact O-N 2.87Å; A378-V382 WeakPolarHBondContact O-CG2 3.38Å; A378-V382 PolarHBondContact O-N 3.39Å
379I98.6Very high96.4Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-60.3-48.4175.1-69.5167.5000111.1L210 V212 W248 C375 A376 C381 V382 L383 I395 V410 V414L210-I379 HydrophobicContact CD2-CB 4.41Å; L210-I379 HydrophobicContact CD2-CG1 4.36Å; L210-I379 HydrophobicContact CD2-CG2 3.95Å; V212-I379 HydrophobicContact CG1-CD1 4.32Å; V212-I379 HydrophobicContact CG1-CG1 4.48Å; V212-I379 HydrophobicContact CG2-CD1 4.3Å; V212-I379 HydrophobicContact CG2-CG1 4.08Å; W248-I379 HydrophobicContact CH2-CG1 3.92Å; C375-I379 WeakPolarHBondContact O-CG1 3.37Å; C375-I379 PolarHBondContact O-N 2.84Å; A376-I379 PolarHBondContact O-N 2.64Å; I379-C381 VanDerWaalsContact C-N 3.28Å; I379-C381 PolarHBondContact O-N 2.65Å; I379-V382 PolarHBondContact O-N 3.11Å; I379-L383 HydrophobicContact CG2-CD1 3.79Å; I379-L383 HydrophobicContact CG2-CG 4.19Å; I379-L383 WeakPolarHBondContact O-CB 3.49Å; I379-L383 WeakPolarHBondContact O-CG 3.33Å; I379-L383 PolarHBondContact O-N 3.4Å; I379-I395 HydrophobicContact CD1-CD1 3.8Å; I379-V410 HydrophobicContact CD1-CG1 3.76Å; I379-V414 HydrophobicContact CB-CG2 4.07Å; I379-V414 HydrophobicContact CG2-CG1 4.34Å; I379-V414 HydrophobicContact CG2-CG2 3.84Å
380A98Very high95.7Very high0 Ų030.7 Ų30.70%015%0.148CC..Hα-helixtrans-60.6-38.8179.500000111.8M28 A376 A377 L383 N384 L417 V418M28-A380 HydrophobicContact CE-CB 3.82Å; M28-A380 HydrophobicContact SD-CB 4.25Å; A376-A380 VanDerWaalsContact O-CB 3.29Å; A376-A380 WeakPolarHBondContact O-CB 3.34Å; A376-A380 PolarHBondContact O-N 2.78Å; A377-A380 PolarHBondContact O-N 2.72Å; A380-L383 PolarHBondContact O-N 3.36Å; A380-N384 WeakPolarHBondContact O-CB 3.46Å; A380-N384 VanDerWaalsContact O-CG 3.26Å; A380-N384 PolarHBondContact O-N 3.27Å; A380-N384 PolarHBondContact O-OD1 2.74Å; A380-L417 HydrophobicContact CB-CB 3.71Å; A380-V418 HydrophobicContact CB-CG1 3.75Å
381C98.4Very high95.3Very high6 Ų630.6 Ų30.64%0.04115%0.148CC..Hα-helixtrans-57.1-49.8174-175.80000111.5M28 L31 A377 A378 I379 N384 R385M28-C381 HydrophobicContact CB-CB 4.13Å; M28-C381 HydrophobicContact CG-CB 4.09Å; M28-C381 PolarHBondContact O-SG 2.94Å; L31-C381 HydrophobicContact CD2-CB 3.97Å; A377-C381 WeakPolarHBondContact O-CB 3.4Å; A377-C381 PolarHBondContact O-N 3.34Å; A378-C381 WeakPolarHBondContact O-CB 3.33Å; A378-C381 PolarHBondContact O-N 2.87Å; I379-C381 VanDerWaalsContact C-N 3.28Å; I379-C381 PolarHBondContact O-N 2.65Å; C381-N384 PolarHBondContact O-N 3.23Å; C381-R385 PolarHBondContact O-N 3.38Å; C381-R385 VanDerWaalsContact O-N 3.1Å
382V98.1Very high95.2Very high0 Ų031.2 Ų31.20%015%0.15CC..Hα-helixtrans-70.3-37.2-179.2-173.30000111.5M35 L210 Y222 W248 A378 I379 R385 I386M35-V382 HydrophobicContact CE-CG1 4.47Å; M35-V382 HydrophobicContact CE-CG2 3.88Å; M35-V382 HydrophobicContact SD-CG2 4.09Å; L210-V382 HydrophobicContact CD1-CB 4.05Å; L210-V382 HydrophobicContact CD1-CG1 3.54Å; L210-V382 HydrophobicContact CD2-CB 4.3Å; Y222-V382 HydrophobicContact CD1-CG1 3.89Å; Y222-V382 HydrophobicContact CE1-CG1 4.46Å; Y222-V382 HydrophobicContact CG-CG1 3.94Å; W248-V382 HydrophobicContact CE3-CG2 4.07Å; W248-V382 HydrophobicContact CZ3-CG2 3.72Å; A378-V382 WeakPolarHBondContact O-CG2 3.38Å; A378-V382 PolarHBondContact O-N 3.39Å; I379-V382 PolarHBondContact O-N 3.11Å; V382-R385 WeakPolarHBondContact O-CB 3.44Å; V382-R385 PolarHBondContact O-N 3.1Å; V382-I386 HydrophobicContact CG1-CD1 3.92Å; V382-I386 HydrophobicContact CG1-CG1 4.32Å; V382-I386 VanDerWaalsContact O-CG1 3.29Å; V382-I386 WeakPolarHBondContact O-CG1 3.33Å; V382-I386 PolarHBondContact O-N 3.26Å
383L96.9Very high95.1Very high2 Ų231.2 Ų31.21%0.0115%0.15CC..Hα-helixtrans-60.7-45.3174.6-76.1176.9000112.4I379 A380 R385 I386 S387 V391 V393 V414 V418 V422 F426I379-L383 HydrophobicContact CG2-CD1 3.79Å; I379-L383 HydrophobicContact CG2-CG 4.19Å; I379-L383 WeakPolarHBondContact O-CB 3.49Å; I379-L383 WeakPolarHBondContact O-CG 3.33Å; I379-L383 PolarHBondContact O-N 3.4Å; A380-L383 PolarHBondContact O-N 3.36Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 3.5Å; L383-I386 PolarHBondContact O-N 2.71Å; L383-S387 PolarHBondContact O-N 2.96Å; L383-V391 HydrophobicContact CD2-CG2 3.74Å; L383-V393 HydrophobicContact CD1-CG2 4.26Å; L383-V393 HydrophobicContact CD2-CG2 3.77Å; L383-V393 HydrophobicContact CG-CG2 4.36Å; L383-V414 HydrophobicContact CD1-CG1 3.77Å; L383-V418 HydrophobicContact CB-CG1 4.2Å; L383-V418 HydrophobicContact CD1-CG1 3.96Å; L383-V422 HydrophobicContact CB-CG1 4.26Å; L383-F426 HydrophobicContact CD1-CB 4.4Å; L383-F426 HydrophobicContact CD1-CD2 4.44Å; L383-F426 HydrophobicContact CD1-CG 4.31Å
384N95.8Very high95.1Very high30 Ų3030.5 Ų30.516%0.1615%0.147CC..Hα-helixtrans-62.9-36.4176.3-71.93.4000111.5A380 C381 V418 D419A380-N384 WeakPolarHBondContact O-CB 3.46Å; A380-N384 VanDerWaalsContact O-CG 3.26Å; A380-N384 PolarHBondContact O-N 3.27Å; A380-N384 PolarHBondContact O-OD1 2.74Å; C381-N384 PolarHBondContact O-N 3.23Å; N384-V418 WeakPolarHBondContact OD1-CA 3.19Å; N384-D419 VanDerWaalsContact CG-CG 3.42Å; N384-D419 VanDerWaalsContact CG-OD2 3.28Å; N384-D419 PolarHBondContact ND2-N 2.89Å; N384-D419 PolarHBondContact ND2-OD1 2.92Å; N384-D419 PolarHBondContact ND2-OD2 3.11Å; N384-D419 PolarHBondContact OD1-N 3.46Å
385R94.8Very high95Very high49 Ų4930.5 Ų30.519%0.18515%0.147CC..Hα-helixtrans-65.8-43.5175-177.9-175.6-177.981.611.3112.8D32 N36 Y222 E224 C381 V382 L383D32-R385 IonicContact OD1-NH1 3.29Å; D32-R385 PolarHBondContact OD1-NH1 3.12Å; N36-R385 PolarHBondContact OD1-NH1 3.5Å; N36-R385 PolarHBondContact OD1-NH2 2.87Å; Y222-R385 PolarHBondContact OH-NE 2.98Å; E224-R385 IonicContact OE2-CZ 3.39Å; E224-R385 IonicContact OE2-NE 2.92Å; E224-R385 PolarHBondContact OE2-NE 2.93Å; E224-R385 IonicContact OE2-NH2 3.37Å; E224-R385 PolarHBondContact OE2-NH2 3.41Å; C381-R385 PolarHBondContact O-N 3.38Å; C381-R385 VanDerWaalsContact O-N 3.1Å; V382-R385 WeakPolarHBondContact O-CB 3.44Å; V382-R385 PolarHBondContact O-N 3.1Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 3.5Å
386I94.3Very high94.8Very high29 Ų2931.5 Ų31.515%0.14915%0.152CC..Hα-helixtrans-64.9-43.4177.8-67.9164.6000109.9A209 Y222 V382 L383 E388A209-I386 HydrophobicContact CB-CD1 4.15Å; A209-I386 WeakPolarHBondContact O-CD1 3.48Å; Y222-I386 HydrophobicContact CD2-CD1 4.22Å; Y222-I386 HydrophobicContact CD2-CG1 3.86Å; Y222-I386 HydrophobicContact CG-CD1 4.31Å; Y222-I386 HydrophobicContact CG-CG1 4.41Å; V382-I386 HydrophobicContact CG1-CD1 3.92Å; V382-I386 HydrophobicContact CG1-CG1 4.32Å; V382-I386 VanDerWaalsContact O-CG1 3.29Å; V382-I386 WeakPolarHBondContact O-CG1 3.33Å; V382-I386 PolarHBondContact O-N 3.26Å; L383-I386 PolarHBondContact O-N 2.71Å; I386-E388 HydrophobicContact CG2-CB 3.83Å; I386-E388 HydrophobicContact CG2-CG 3.7Å; I386-E388 PolarHBondContact O-N 3.24Å; I386-E388 VanDerWaalsContact O-N 3.15Å
387S90.5Very high94.6Very high80 Ų8031.9 Ų31.956%0.55916%0.156SC*.  trans54.531.2176.4-174.90000114.2L383L383-S387 PolarHBondContact O-N 2.96Å
388E87.7Confident94.3Very high94 Ų9434.5 Ų34.544%0.43918%0.175SC..  trans-97.2157.1174.5-67.6-178.3179.800111.1K241 I386 V391K241-E388 IonicContact NZ-OE1 2.69Å; K241-E388 PolarHBondContact NZ-OE1 2.88Å; I386-E388 HydrophobicContact CG2-CB 3.83Å; I386-E388 HydrophobicContact CG2-CG 3.7Å; I386-E388 PolarHBondContact O-N 3.24Å; I386-E388 VanDerWaalsContact O-N 3.15Å; E388-V391 HydrophobicContact CB-CG1 3.67Å
389K83.3Confident94.1Very high174 Ų17434.9 Ų34.976%0.75718%0.177SC*.SBendtrans-97.1149.5179-64.4-179.3-179.7178.90110.7V391K389-V391 VanDerWaalsContact C-N 3.32Å
390K84.5Confident94Very high161 Ų16135 Ų3570%0.718%0.178SC*.SBendtrans61.737.6174.9-61.6-175.2177.9-178.50112.9Q207 S425Q207-K390 VanDerWaalsContact CD-O 3.31Å; Q207-K390 PolarHBondContact NE2-O 2.9Å; Q207-K390 PolarHBondContact OE1-O 3.18Å; K390-S425 CarbonylContact C-O 3.55Å; K390-S425 WeakPolarHBondContact CA-O 3.48Å; K390-S425 PolarHBondContact N-O 3.42Å
391V90.3Very high93.8Very high3 Ų341.8 Ų41.82%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-77.7144.4-176.7-64.80000112.5A209 L383 E388 K389 S425 F426 T427A209-V391 HydrophobicContact CB-CB 3.61Å; A209-V391 HydrophobicContact CB-CG1 3.7Å; L383-V391 HydrophobicContact CD2-CG2 3.74Å; E388-V391 HydrophobicContact CB-CG1 3.67Å; K389-V391 VanDerWaalsContact C-N 3.32Å; V391-S425 PolarHBondContact N-O 3.1Å; V391-F426 HydrophobicContact CG2-CB 3.65Å; V391-F426 CarbonylContact O-C 3.45Å; V391-F426 VanDerWaalsContact O-CA 3.29Å; V391-F426 WeakPolarHBondContact O-CA 3.39Å; V391-T427 PolarHBondContact O-N 2.81Å
392I95.8Very high93.6Very high13 Ų1347.8 Ų47.87%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-105.7135.1171.2-63.9-177.6000108.5T201 M205 Q207 C208 A209 T427 V429T201-I392 HydrophobicContact CG2-CG2 3.78Å; M205-I392 HydrophobicContact CB-CD1 3.51Å; M205-I392 HydrophobicContact CE-CD1 4.01Å; M205-I392 HydrophobicContact CG-CD1 4.16Å; Q207-I392 HydrophobicContact CG-CD1 3.82Å; Q207-I392 HydrophobicContact CG-CG1 4.12Å; C208-I392 CarbonylContact C-O 3.54Å; A209-I392 PolarHBondContact N-O 3.27Å; I392-T427 WeakPolarHBondContact CA-O 3.46Å; I392-V429 HydrophobicContact CG2-CG1 4.18Å; I392-V429 HydrophobicContact CG2-CG2 3.63Å
393V97.5Very high93.6Very high0 Ų048.1 Ų48.10%023%0.23CC..EExtended strand (participates in β ladder)trans-111.1111.8170.8-177.40000107.9L210 V212 L383 I395 T427 L428 V429L210-V393 HydrophobicContact CB-CB 4.48Å; L210-V393 HydrophobicContact CB-CG1 4.05Å; L210-V393 HydrophobicContact CB-CG2 4.18Å; L210-V393 HydrophobicContact CD2-CG1 3.86Å; L210-V393 HydrophobicContact CD2-CG2 4.33Å; L210-V393 HydrophobicContact CG-CG1 4.1Å; L210-V393 CarbonylContact O-C 3.6Å; L210-V393 WeakPolarHBondContact O-CA 3.42Å; V212-V393 HydrophobicContact CG2-CG1 3.71Å; L383-V393 HydrophobicContact CD1-CG2 4.26Å; L383-V393 HydrophobicContact CD2-CG2 3.77Å; L383-V393 HydrophobicContact CG-CG2 4.36Å; V393-I395 HydrophobicContact CG1-CD1 4.05Å; V393-I395 HydrophobicContact CG1-CG1 3.78Å; V393-T427 PolarHBondContact N-O 2.88Å; V393-L428 HydrophobicContact CB-CD2 3.51Å; V393-L428 HydrophobicContact CG1-CD2 4.01Å; V393-L428 HydrophobicContact CG2-CD2 3.68Å; V393-V429 PolarHBondContact O-N 3.16Å
394G97.5Very high93.5Very high0 Ų050.5 Ų50.50%025%0.246CC..EExtended strand (participates in β ladder)trans-84.6117.2174.300000110.3L210 G211 V212L210-G394 PolarHBondContact O-N 3.38Å; G211-G394 CarbonylContact C-O 3.18Å; G211-G394 WeakPolarHBondContact CA-O 3.42Å; V212-G394 PolarHBondContact N-O 3.3Å
395I97.6Very high93.6Very high0 Ų052 Ų520%025%0.251CS..EExtended strand (participates in β ladder)trans-116.3122.7179.9-46.6-169.5000109.5V212 V214 I379 V393 Y400 L428 V429 Q430 A431V212-I395 HydrophobicContact CB-CB 4.36Å; V212-I395 HydrophobicContact CB-CG1 4.02Å; V212-I395 HydrophobicContact CB-CG2 4.11Å; V212-I395 HydrophobicContact CG1-CG2 4.2Å; V212-I395 HydrophobicContact CG2-CG1 4.3Å; V212-I395 WeakPolarHBondContact O-CA 3.18Å; V214-I395 HydrophobicContact CG2-CG2 4.31Å; I379-I395 HydrophobicContact CD1-CD1 3.8Å; V393-I395 HydrophobicContact CG1-CD1 4.05Å; V393-I395 HydrophobicContact CG1-CG1 3.78Å; I395-Y400 HydrophobicContact CB-CD1 4.08Å; I395-Y400 HydrophobicContact CB-CE1 3.72Å; I395-Y400 HydrophobicContact CB-CE2 4.28Å; I395-Y400 HydrophobicContact CB-CG 4.46Å; I395-Y400 HydrophobicContact CD1-CE2 3.96Å; I395-Y400 HydrophobicContact CG2-CD1 3.69Å; I395-Y400 HydrophobicContact CG2-CD2 3.66Å; I395-Y400 HydrophobicContact CG2-CE1 3.77Å; I395-Y400 HydrophobicContact CG2-CE2 3.79Å; I395-Y400 HydrophobicContact CG2-CG 3.6Å; I395-L428 HydrophobicContact CD1-CB 4.43Å; I395-L428 HydrophobicContact CD1-CD1 4.23Å; I395-L428 HydrophobicContact CD1-CD2 4.43Å; I395-V429 PolarHBondContact N-O 3.35Å; I395-Q430 CarbonylContact O-C 3.26Å; I395-Q430 VanDerWaalsContact O-CA 3.31Å; I395-Q430 WeakPolarHBondContact O-CA 3.49Å; I395-A431 PolarHBondContact O-N 3.31Å
396D95Very high93.8Very high20 Ų2049.6 Ų49.611%0.10724%0.242CC..EExtended strand (participates in β ladder)trans-121.1170.4172.8-155.9-11000110.2T197 V212 I213 V214 A431 G434T197-D396 HydrophobicContact CG2-CB 3.92Å; V212-D396 PolarHBondContact O-N 2.91Å; I213-D396 CarbonylContact C-O 3.54Å; I213-D396 WeakPolarHBondContact CA-O 3.35Å; I213-D396 HydrophobicContact CD1-CB 3.89Å; V214-D396 PolarHBondContact N-O 3.31Å; D396-A431 HydrophobicContact CB-CB 4.25Å; D396-G434 PolarHBondContact OD2-N 3.38Å
397G93.7Very high93.9Very high9 Ų951.3 Ų51.39%0.09325%0.249CC..  trans122.5148.6174.700000113.5V214 T399 Y400 R401V214-G397 CarbonylContact O-C 3.5Å; V214-G397 VanDerWaalsContact O-C 3.23Å; V214-G397 VanDerWaalsContact O-CA 3.3Å; V214-G397 WeakPolarHBondContact O-CA 3.44Å; G397-T399 PolarHBondContact O-N 3.48Å; G397-Y400 PolarHBondContact O-N 2.92Å; G397-R401 VanDerWaalsContact O-CB 3.24Å; G397-R401 WeakPolarHBondContact O-CB 3.44Å; G397-R401 PolarHBondContact O-N 3.23Å
398S92.7Very high94.3Very high55 Ų5549.7 Ų49.739%0.38524%0.238SC..Hα-helixtrans-62.1-40.5-17451.40000113R401 F402S398-R401 PolarHBondContact O-N 3.49Å; S398-F402 WeakPolarHBondContact O-CB 3.35Å; S398-F402 WeakPolarHBondContact O-CD2 3.5Å; S398-F402 PolarHBondContact O-N 3.41Å
399T94.9Very high94.8Very high8 Ų846.1 Ų46.15%0.04922%0.22CC..Hα-helixtrans-63.3-45.8178.4-58.90000110.8V214 A215 G286 M289 G397 H403 F406V214-T399 HydrophobicContact CG1-CG2 4.17Å; V214-T399 WeakPolarHBondContact O-CB 3.35Å; V214-T399 PolarHBondContact O-N 3.33Å; A215-T399 PolarHBondContact O-OG1 2.77Å; G286-T399 WeakPolarHBondContact CA-OG1 3.4Å; G286-T399 PolarHBondContact N-OG1 2.91Å; M289-T399 HydrophobicContact CE-CG2 3.71Å; G397-T399 PolarHBondContact O-N 3.48Å; T399-H403 WeakPolarHBondContact O-CB 3.29Å; T399-H403 PolarHBondContact O-N 3.49Å; T399-F406 HydrophobicContact CG2-CD2 4.32Å; T399-F406 HydrophobicContact CG2-CE2 4.08Å
400Y96.1Very high95.5Very high3 Ų337.9 Ų37.91%0.01218%0.184CC..Hα-helixtrans-64.9-43.6177-170.1-103.8000112.7V214 I395 G397 F406 H407 V410 Q430V214-Y400 PolarHBondContact O-N 3.35Å; V214-Y400 VanDerWaalsContact O-N 3.16Å; I395-Y400 HydrophobicContact CB-CD1 4.08Å; I395-Y400 HydrophobicContact CB-CE1 3.72Å; I395-Y400 HydrophobicContact CB-CE2 4.28Å; I395-Y400 HydrophobicContact CB-CG 4.46Å; I395-Y400 HydrophobicContact CD1-CE2 3.96Å; I395-Y400 HydrophobicContact CG2-CD1 3.69Å; I395-Y400 HydrophobicContact CG2-CD2 3.66Å; I395-Y400 HydrophobicContact CG2-CE1 3.77Å; I395-Y400 HydrophobicContact CG2-CE2 3.79Å; I395-Y400 HydrophobicContact CG2-CG 3.6Å; G397-Y400 PolarHBondContact O-N 2.92Å; Y400-F406 AromaticContact CD2-CD1 3.57Å; Y400-F406 HydrophobicContact CD2-CD1 3.57Å; Y400-F406 HydrophobicContact CD2-CE1 4.16Å; Y400-F406 HydrophobicContact CD2-CG 4.5Å; Y400-F406 HydrophobicContact CE2-CD1 4.19Å; Y400-H407 HydrophobicContact CE1-CB 4.46Å; Y400-H407 AromaticContact CE1-ND1 3.9Å; Y400-H407 HydrophobicContact CE2-CB 4.38Å; Y400-H407 AromaticContact CZ-ND1 3.45Å; Y400-H407 PolarHBondContact OH-ND1 2.92Å; Y400-V410 HydrophobicContact CE2-CB 4.42Å; Y400-V410 HydrophobicContact CE2-CG2 4.4Å; Y400-Q430 HydrophobicContact CD1-CG 4.26Å; Y400-Q430 HydrophobicContact CE1-CB 4.18Å; Y400-Q430 HydrophobicContact CE1-CG 4.24Å
401R94Very high96.1Very high142 Ų14233.5 Ų33.554%0.53617%0.165SC..Hα-helixtrans-71.9-42.4-173.9170.8166.5-174178.41.3113.8G397 S398G397-R401 VanDerWaalsContact O-CB 3.24Å; G397-R401 WeakPolarHBondContact O-CB 3.44Å; G397-R401 PolarHBondContact O-N 3.23Å; S398-R401 PolarHBondContact O-N 3.49Å
402F94.4Very high96.4Very high131 Ų13136.6 Ų36.658%0.57518%0.182SC*.Hα-helixtrans-97.5-17.6-170-62-59.9000113.3S398S398-F402 WeakPolarHBondContact O-CB 3.35Å; S398-F402 WeakPolarHBondContact O-CD2 3.5Å; S398-F402 PolarHBondContact O-N 3.41Å
403H97.3Very high96.5Very high7 Ų736.7 Ų36.73%0.03218%0.182CC..SBendtrans-78.5124.1177.7-176.1-68.8000110.6L330 S368 T399 F405 F406 W409L330-H403 VanDerWaalsContact CD1-NE2 3.26Å; L330-H403 WeakPolarHBondContact CD1-NE2 3.48Å; S368-H403 WeakPolarHBondContact CB-NE2 3.4Å; S368-H403 PolarHBondContact OG-NE2 3.17Å; T399-H403 WeakPolarHBondContact O-CB 3.29Å; T399-H403 PolarHBondContact O-N 3.49Å; H403-F405 VanDerWaalsContact C-N 3.28Å; H403-F405 PolarHBondContact ND1-N 3.06Å; H403-F405 PolarHBondContact O-N 3.35Å; H403-F405 VanDerWaalsContact O-N 3.1Å; H403-F406 HydrophobicContact CB-CB 3.87Å; H403-F406 HydrophobicContact CB-CD2 4.34Å; H403-F406 PolarHBondContact ND1-N 3.25Å; H403-F406 PolarHBondContact O-N 2.51Å; H403-W409 AromaticContact CE1-CH2 3.96Å; H403-W409 AromaticContact CE1-CZ3 3.52Å
404P96.5Very high96.5Very high52 Ų5236.7 Ų36.734%0.33818%0.182SC..THydrogen-bonded Turntrans-61-30.9-16620.5-33000114.9L330L330-P404 HydrophobicContact CB-CG 3.72Å
405F97.8Very high96.5Very high61 Ų6141.6 Ų41.627%0.26820%0.2SC..THydrogen-bonded Turntrans-113.90.3-173.4-49.5-58.6000114.6L330 M365 H403 H407 S408 W409L330-F405 HydrophobicContact CB-CD2 4.42Å; L330-F405 HydrophobicContact CB-CE2 3.95Å; L330-F405 HydrophobicContact CD1-CD2 4.37Å; L330-F405 HydrophobicContact CD2-CE2 4.45Å; M365-F405 HydrophobicContact CE-CE2 4.11Å; M365-F405 HydrophobicContact SD-CD2 4.25Å; M365-F405 HydrophobicContact SD-CE2 4.4Å; H403-F405 VanDerWaalsContact C-N 3.28Å; H403-F405 PolarHBondContact ND1-N 3.06Å; H403-F405 PolarHBondContact O-N 3.35Å; H403-F405 VanDerWaalsContact O-N 3.1Å; F405-H407 PolarHBondContact O-N 3.37Å; F405-S408 PolarHBondContact O-N 3.06Å; F405-S408 PolarHBondContact O-OG 2.95Å; F405-W409 HydrophobicContact CB-CD2 3.66Å; F405-W409 HydrophobicContact CB-CE3 4Å; F405-W409 HydrophobicContact CB-CG 4.32Å; F405-W409 HydrophobicContact CB-CH2 3.7Å; F405-W409 HydrophobicContact CB-CZ2 3.32Å; F405-W409 HydrophobicContact CB-CZ3 4.01Å; F405-W409 AromaticContact CD2-CH2 3.79Å; F405-W409 HydrophobicContact CD2-CH2 3.79Å; F405-W409 AromaticContact CD2-CZ2 3.64Å; F405-W409 HydrophobicContact CD2-CZ2 3.64Å; F405-W409 HydrophobicContact CG-CH2 4.15Å; F405-W409 AromaticContact CG-CZ2 3.7Å; F405-W409 HydrophobicContact CG-CZ2 3.7Å; F405-W409 WeakPolarHBondContact O-CB 3.3Å; F405-W409 PolarHBondContact O-N 3.39Å
406F98.2Very high96.4Very high0 Ų045.4 Ų45.40%022%0.218CC..Hα-helixtrans-68.1-44.3-167.3-152.5-77.2000111.3V214 M289 S371 A372 C375 T399 Y400 H403 S408 W409 V410V214-F406 HydrophobicContact CG1-CE1 4.08Å; V214-F406 HydrophobicContact CG1-CZ 3.96Å; M289-F406 HydrophobicContact CE-CE2 4.05Å; S371-F406 WeakPolarHBondContact OG-CE2 3.11Å; S371-F406 WeakPolarHBondContact OG-CZ 3.28Å; A372-F406 HydrophobicContact CB-CD1 4.33Å; A372-F406 HydrophobicContact CB-CD2 4.24Å; A372-F406 HydrophobicContact CB-CE1 4.19Å; A372-F406 HydrophobicContact CB-CE2 4.06Å; A372-F406 HydrophobicContact CB-CG 4.38Å; A372-F406 HydrophobicContact CB-CZ 4.05Å; C375-F406 HydrophobicContact CB-CE1 4.32Å; C375-F406 HydrophobicContact CB-CZ 4.42Å; T399-F406 HydrophobicContact CG2-CD2 4.32Å; T399-F406 HydrophobicContact CG2-CE2 4.08Å; Y400-F406 AromaticContact CD2-CD1 3.57Å; Y400-F406 HydrophobicContact CD2-CD1 3.57Å; Y400-F406 HydrophobicContact CD2-CE1 4.16Å; Y400-F406 HydrophobicContact CD2-CG 4.5Å; Y400-F406 HydrophobicContact CE2-CD1 4.19Å; H403-F406 HydrophobicContact CB-CB 3.87Å; H403-F406 HydrophobicContact CB-CD2 4.34Å; H403-F406 PolarHBondContact ND1-N 3.25Å; H403-F406 PolarHBondContact O-N 2.51Å; F406-S408 PolarHBondContact O-N 2.6Å; F406-W409 PolarHBondContact O-N 3.4Å; F406-V410 HydrophobicContact CD1-CG2 3.51Å; F406-V410 HydrophobicContact CE1-CG2 3.46Å; F406-V410 VanDerWaalsContact CE1-CG2 3.46Å; F406-V410 WeakPolarHBondContact O-CB 3.42Å; F406-V410 VanDerWaalsContact O-CG2 3.29Å; F406-V410 WeakPolarHBondContact O-CG2 3.32Å; F406-V410 PolarHBondContact O-N 3.19Å
407H97.5Very high96.5Very high64 Ų6444.5 Ų44.530%0.29621%0.213SC..Hα-helixtrans-55.3-51.1176.1176.978.7000112.5Y400 F405 K411Y400-H407 HydrophobicContact CE1-CB 4.46Å; Y400-H407 AromaticContact CE1-ND1 3.9Å; Y400-H407 HydrophobicContact CE2-CB 4.38Å; Y400-H407 AromaticContact CZ-ND1 3.45Å; Y400-H407 PolarHBondContact OH-ND1 2.92Å; F405-H407 PolarHBondContact O-N 3.37Å; H407-K411 WeakPolarHBondContact O-CB 3.49Å; H407-K411 PolarHBondContact O-N 3.14Å
408S97.5Very high96.6Very high46 Ų4644.4 Ų44.432%0.32221%0.211SC..Hα-helixtrans-66.2-42.6-177.353.80000111.5F405 F406 K411 D412F405-S408 PolarHBondContact O-N 3.06Å; F405-S408 PolarHBondContact O-OG 2.95Å; F406-S408 PolarHBondContact O-N 2.6Å; S408-K411 PolarHBondContact O-N 2.84Å; S408-D412 WeakPolarHBondContact O-CB 3.23Å; S408-D412 VanDerWaalsContact O-CG 3.29Å; S408-D412 PolarHBondContact O-N 2.74Å
409W98.4Very high96.6Very high20 Ų2045.2 Ų45.28%0.07621%0.211CC..Hα-helixtrans-65-43.6178.3-64.7-10.2000113.1M365 R369 A372 H403 F405 F406 K413M365-W409 HydrophobicContact CG-CH2 4.36Å; M365-W409 HydrophobicContact SD-CH2 3.37Å; M365-W409 WeakPolarHBondContact SD-CH2 3.36Å; M365-W409 HydrophobicContact SD-CZ2 3.32Å; M365-W409 WeakPolarHBondContact SD-CZ2 3.25Å; R369-W409 HydrophobicContact CB-CE3 4.26Å; R369-W409 HydrophobicContact CB-CH2 4.43Å; R369-W409 HydrophobicContact CB-CZ3 4.14Å; A372-W409 HydrophobicContact CB-CB 3.8Å; A372-W409 HydrophobicContact CB-CE3 4.02Å; H403-W409 AromaticContact CE1-CH2 3.96Å; H403-W409 AromaticContact CE1-CZ3 3.52Å; F405-W409 HydrophobicContact CB-CD2 3.66Å; F405-W409 HydrophobicContact CB-CE3 4Å; F405-W409 HydrophobicContact CB-CG 4.32Å; F405-W409 HydrophobicContact CB-CH2 3.7Å; F405-W409 HydrophobicContact CB-CZ2 3.32Å; F405-W409 HydrophobicContact CB-CZ3 4.01Å; F405-W409 AromaticContact CD2-CH2 3.79Å; F405-W409 HydrophobicContact CD2-CH2 3.79Å; F405-W409 AromaticContact CD2-CZ2 3.64Å; F405-W409 HydrophobicContact CD2-CZ2 3.64Å; F405-W409 HydrophobicContact CG-CH2 4.15Å; F405-W409 AromaticContact CG-CZ2 3.7Å; F405-W409 HydrophobicContact CG-CZ2 3.7Å; F405-W409 WeakPolarHBondContact O-CB 3.3Å; F405-W409 PolarHBondContact O-N 3.39Å; F406-W409 PolarHBondContact O-N 3.4Å; W409-K413 VanDerWaalsContact O-CB 3.27Å; W409-K413 WeakPolarHBondContact O-CB 3.23Å; W409-K413 PolarHBondContact O-N 2.68Å
410V98.5Very high96.3Very high0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-61.6-48.7175.1172.40000109.5A372 C375 A376 I379 Y400 F406 D412 K413 V414 L428A372-V410 HydrophobicContact CB-CG2 4.04Å; C375-V410 HydrophobicContact CB-CG2 4.46Å; A376-V410 HydrophobicContact CB-CG1 4.28Å; I379-V410 HydrophobicContact CD1-CG1 3.76Å; Y400-V410 HydrophobicContact CE2-CB 4.42Å; Y400-V410 HydrophobicContact CE2-CG2 4.4Å; F406-V410 HydrophobicContact CD1-CG2 3.51Å; F406-V410 HydrophobicContact CE1-CG2 3.46Å; F406-V410 VanDerWaalsContact CE1-CG2 3.46Å; F406-V410 WeakPolarHBondContact O-CB 3.42Å; F406-V410 VanDerWaalsContact O-CG2 3.29Å; F406-V410 WeakPolarHBondContact O-CG2 3.32Å; F406-V410 PolarHBondContact O-N 3.19Å; V410-D412 PolarHBondContact O-N 2.81Å; V410-K413 PolarHBondContact O-N 3.4Å; V410-V414 HydrophobicContact CG1-CG2 4.05Å; V410-V414 WeakPolarHBondContact O-CB 3.42Å; V410-V414 WeakPolarHBondContact O-CG2 3.49Å; V410-V414 PolarHBondContact O-N 3.3Å; V410-L428 HydrophobicContact CG1-CD1 3.79Å
411K97.1Very high95.8Very high69 Ų6953.8 Ų53.830%0.327%0.269SS..Hα-helixtrans-56.9-49179.9-177.6174.8177.4174.20112.5H407 S408 R415 L428H407-K411 WeakPolarHBondContact O-CB 3.49Å; H407-K411 PolarHBondContact O-N 3.14Å; S408-K411 PolarHBondContact O-N 2.84Å; K411-R415 WeakPolarHBondContact O-CG 3.41Å; K411-R415 PolarHBondContact O-N 3.21Å; K411-L428 HydrophobicContact CB-CD1 3.99Å
412D97.1Very high95.3Very high68 Ų6847.2 Ų47.236%0.36425%0.245SC..Hα-helixtrans-67.6-43.7-179.1-68.2-20.7000111.2S408 V410 V414 R415 E416S408-D412 WeakPolarHBondContact O-CB 3.23Å; S408-D412 VanDerWaalsContact O-CG 3.29Å; S408-D412 PolarHBondContact O-N 2.74Å; V410-D412 PolarHBondContact O-N 2.81Å; D412-V414 PolarHBondContact O-N 2.81Å; D412-R415 WeakPolarHBondContact O-CB 3.48Å; D412-R415 PolarHBondContact O-N 3.4Å; D412-R415 IonicContact OD1-NH1 2.91Å; D412-R415 PolarHBondContact OD1-NH1 3.4Å; D412-E416 PolarHBondContact O-N 3.32Å
413K98.2Very high94.6Very high16 Ų1646 Ų467%0.0724%0.241CC..Hα-helixtrans-69-34.9179.8-173.157.360.4-177.80112.7N21 L24 N373 A376 W409 V410 R415 E416 L417N21-K413 PolarHBondContact OD1-NZ 3.15Å; L24-K413 HydrophobicContact CD1-CD 3.83Å; L24-K413 HydrophobicContact CD1-CG 4.27Å; N373-K413 HydrophobicContact CB-CG 4.22Å; N373-K413 WeakPolarHBondContact OD1-CE 3.47Å; A376-K413 HydrophobicContact CB-CB 3.59Å; A376-K413 HydrophobicContact CB-CG 3.67Å; W409-K413 VanDerWaalsContact O-CB 3.27Å; W409-K413 WeakPolarHBondContact O-CB 3.23Å; W409-K413 PolarHBondContact O-N 2.68Å; V410-K413 PolarHBondContact O-N 3.4Å; K413-R415 VanDerWaalsContact C-N 3.31Å; K413-R415 PolarHBondContact O-N 3.19Å; K413-E416 HydrophobicContact CD-CB 4.41Å; K413-E416 WeakPolarHBondContact CE-OE1 3.27Å; K413-E416 IonicContact NZ-OE1 3.16Å; K413-E416 PolarHBondContact NZ-OE1 3.22Å; K413-E416 VanDerWaalsContact NZ-OE1 3.08Å; K413-E416 IonicContact NZ-OE2 2.77Å; K413-E416 PolarHBondContact NZ-OE2 3.39Å; K413-E416 PolarHBondContact O-N 2.91Å; K413-L417 HydrophobicContact CD-CD1 3.98Å; K413-L417 HydrophobicContact CD-CG 4.06Å; K413-L417 HydrophobicContact CG-CD1 3.85Å; K413-L417 HydrophobicContact CG-CG 4.34Å; K413-L417 WeakPolarHBondContact O-CB 3.34Å; K413-L417 VanDerWaalsContact O-CG 3.29Å; K413-L417 WeakPolarHBondContact O-CG 3.37Å; K413-L417 PolarHBondContact O-N 3.3Å
414V97.6Very high93.6Very high0 Ų050.7 Ų50.70%028%0.281CS..Hα-helixtrans-60-44172.9172.90000109.8A376 I379 L383 V410 D412 E416 L417 V418 F426 L428A376-V414 HydrophobicContact CB-CG2 3.75Å; I379-V414 HydrophobicContact CB-CG2 4.07Å; I379-V414 HydrophobicContact CG2-CG1 4.34Å; I379-V414 HydrophobicContact CG2-CG2 3.84Å; L383-V414 HydrophobicContact CD1-CG1 3.77Å; V410-V414 HydrophobicContact CG1-CG2 4.05Å; V410-V414 WeakPolarHBondContact O-CB 3.42Å; V410-V414 WeakPolarHBondContact O-CG2 3.49Å; V410-V414 PolarHBondContact O-N 3.3Å; D412-V414 PolarHBondContact O-N 2.81Å; V414-E416 VanDerWaalsContact C-N 3.29Å; V414-E416 PolarHBondContact O-N 2.92Å; V414-L417 PolarHBondContact O-N 3.38Å; V414-V418 HydrophobicContact CG1-CG1 3.6Å; V414-V418 WeakPolarHBondContact O-CG1 3.03Å; V414-V418 WeakPolarHBondContact O-CG2 3.33Å; V414-V418 PolarHBondContact O-N 3.2Å; V414-F426 HydrophobicContact CB-CE2 4.1Å; V414-F426 HydrophobicContact CB-CZ 3.96Å; V414-F426 HydrophobicContact CG1-CD2 4.23Å; V414-F426 HydrophobicContact CG1-CE1 4.04Å; V414-F426 HydrophobicContact CG1-CE2 3.55Å; V414-F426 HydrophobicContact CG1-CZ 3.42Å; V414-F426 VanDerWaalsContact CG1-CZ 3.42Å; V414-L428 HydrophobicContact CG2-CD1 4.47Å
415R95.7Very high92.9Very high103 Ų10348.9 Ų48.939%0.38927%0.269SS..Hα-helixtrans-58.6-40.5177.3-68.6172.9178.7150.9-19112.6K411 D412 K413 L417 F426K411-R415 WeakPolarHBondContact O-CG 3.41Å; K411-R415 PolarHBondContact O-N 3.21Å; D412-R415 WeakPolarHBondContact O-CB 3.48Å; D412-R415 PolarHBondContact O-N 3.4Å; D412-R415 IonicContact OD1-NH1 2.91Å; D412-R415 PolarHBondContact OD1-NH1 3.4Å; K413-R415 VanDerWaalsContact C-N 3.31Å; K413-R415 PolarHBondContact O-N 3.19Å; R415-L417 PolarHBondContact O-N 2.87Å; R415-F426 HydrophobicContact CB-CZ 4.37Å; R415-F426 HydrophobicContact CG-CE1 3.94Å; R415-F426 HydrophobicContact CG-CZ 3.5Å
416E96.5Very high92.6Very high80 Ų8047 Ų4737%0.37426%0.261SS..Hα-helixtrans-66.6-28177.2-66.1177.4-125.800112.9N21 R25 D412 K413 V414N21-E416 PolarHBondContact ND2-OE2 3.37Å; N21-E416 PolarHBondContact OD1-OE2 3.41Å; R25-E416 PolarHBondContact NH2-O 3.1Å; D412-E416 PolarHBondContact O-N 3.32Å; K413-E416 HydrophobicContact CD-CB 4.41Å; K413-E416 WeakPolarHBondContact CE-OE1 3.27Å; K413-E416 IonicContact NZ-OE1 3.16Å; K413-E416 PolarHBondContact NZ-OE1 3.22Å; K413-E416 VanDerWaalsContact NZ-OE1 3.08Å; K413-E416 IonicContact NZ-OE2 2.77Å; K413-E416 PolarHBondContact NZ-OE2 3.39Å; K413-E416 PolarHBondContact O-N 2.91Å; V414-E416 VanDerWaalsContact C-N 3.29Å; V414-E416 PolarHBondContact O-N 2.92Å
417L97.7Very high92.5Very high0 Ų050.9 Ų50.90%029%0.285CS..Hα-helixtrans-102.1-31.3-168.4-68179.4000114.5N21 L24 R25 M28 A377 A380 K413 V414 R415N21-L417 HydrophobicContact CB-CD2 4.32Å; L24-L417 HydrophobicContact CB-CD1 4.02Å; L24-L417 HydrophobicContact CB-CD2 4.03Å; L24-L417 HydrophobicContact CD1-CD1 4.12Å; R25-L417 HydrophobicContact CG-CD2 4.22Å; R25-L417 PolarHBondContact NH1-O 3.27Å; M28-L417 HydrophobicContact CE-CB 4.46Å; M28-L417 HydrophobicContact SD-CB 3.92Å; M28-L417 HydrophobicContact SD-CD1 4.27Å; M28-L417 HydrophobicContact SD-CD2 4.32Å; M28-L417 HydrophobicContact SD-CG 4.4Å; A377-L417 HydrophobicContact CB-CD1 3.74Å; A380-L417 HydrophobicContact CB-CB 3.71Å; K413-L417 HydrophobicContact CD-CD1 3.98Å; K413-L417 HydrophobicContact CD-CG 4.06Å; K413-L417 HydrophobicContact CG-CD1 3.85Å; K413-L417 HydrophobicContact CG-CG 4.34Å; K413-L417 WeakPolarHBondContact O-CB 3.34Å; K413-L417 VanDerWaalsContact O-CG 3.29Å; K413-L417 WeakPolarHBondContact O-CG 3.37Å; K413-L417 PolarHBondContact O-N 3.3Å; V414-L417 PolarHBondContact O-N 3.38Å; R415-L417 PolarHBondContact O-N 2.87Å
418V95.7Very high92.4Very high8 Ų848.3 Ų48.35%0.04827%0.273CS..SBendtrans-64.2157.2179.8-68.20000112.1A380 L383 N384 V414 V422 E423 F426A380-V418 HydrophobicContact CB-CG1 3.75Å; L383-V418 HydrophobicContact CB-CG1 4.2Å; L383-V418 HydrophobicContact CD1-CG1 3.96Å; N384-V418 WeakPolarHBondContact OD1-CA 3.19Å; V414-V418 HydrophobicContact CG1-CG1 3.6Å; V414-V418 WeakPolarHBondContact O-CG1 3.03Å; V414-V418 WeakPolarHBondContact O-CG2 3.33Å; V414-V418 PolarHBondContact O-N 3.2Å; V418-V422 HydrophobicContact CB-CB 4.22Å; V418-V422 HydrophobicContact CB-CG1 4.24Å; V418-V422 HydrophobicContact CG1-CG1 4.34Å; V418-E423 HydrophobicContact CG2-CB 4Å; V418-E423 HydrophobicContact CG2-CG 4.47Å; V418-F426 HydrophobicContact CG2-CD1 4.39Å; V418-F426 HydrophobicContact CG2-CE1 3.9Å
419D92.6Very high92.3Very high71 Ų7147.4 Ų47.438%0.3827%0.266SS..  trans-63.8146.1174.2-66.3-26000110.2N384 S421 V422 E423N384-D419 VanDerWaalsContact CG-CG 3.42Å; N384-D419 VanDerWaalsContact CG-OD2 3.28Å; N384-D419 PolarHBondContact ND2-N 2.89Å; N384-D419 PolarHBondContact ND2-OD1 2.92Å; N384-D419 PolarHBondContact ND2-OD2 3.11Å; N384-D419 PolarHBondContact OD1-N 3.46Å; D419-S421 PolarHBondContact O-N 3.42Å; D419-V422 PolarHBondContact O-N 3.12Å; D419-E423 PolarHBondContact O-N 3.16Å; D419-E423 VanDerWaalsContact O-N 3.16Å
420P88.8Confident92.1Very high109 Ų10950.8 Ų50.871%0.70828%0.282SS*.Hα-helixtrans-55.1-27.2-178.2-28.735.3000114.5V422P420-V422 VanDerWaalsContact C-N 3.27Å; P420-V422 PolarHBondContact O-N 3.2Å
421S84.5Confident91.4Very high83 Ų8351 Ų5158%0.5828%0.284SS*.Hα-helixtrans-69.8-22.6175.752.20000113.9D419D419-S421 PolarHBondContact O-N 3.42Å
422V83.5Confident90.5Very high3 Ų349.6 Ų49.62%0.01829%0.29CS..Hα-helixtrans-97.1-32.5-178.7178.70000111.5L383 V418 D419 P420 A424 S425L383-V422 HydrophobicContact CB-CG1 4.26Å; V418-V422 HydrophobicContact CB-CB 4.22Å; V418-V422 HydrophobicContact CB-CG1 4.24Å; V418-V422 HydrophobicContact CG1-CG1 4.34Å; D419-V422 PolarHBondContact O-N 3.12Å; P420-V422 VanDerWaalsContact C-N 3.27Å; P420-V422 PolarHBondContact O-N 3.2Å; V422-A424 VanDerWaalsContact C-N 3.32Å; V422-A424 PolarHBondContact O-N 3Å; V422-S425 WeakPolarHBondContact O-CA 3.43Å; V422-S425 WeakPolarHBondContact O-CB 3.28Å; V422-S425 PolarHBondContact O-N 3.09Å; V422-S425 PolarHBondContact O-OG 3.42Å
423E79.4Confident89.7Confident107 Ų10748 Ų4850%0.528%0.281SS..Hα-helixtrans-47-48.7-174-171.2-170.3166.900113.8V418 D419 S425V418-E423 HydrophobicContact CG2-CB 4Å; V418-E423 HydrophobicContact CG2-CG 4.47Å; D419-E423 PolarHBondContact O-N 3.16Å; D419-E423 VanDerWaalsContact O-N 3.16Å; E423-S425 PolarHBondContact O-N 3.48Å
424A75.8Confident89.1Confident105 Ų10547.2 Ų47.287%0.86828%0.278SS*.THydrogen-bonded Turntrans-74.76.1-178.300000114.2V422V422-A424 VanDerWaalsContact C-N 3.32Å; V422-A424 PolarHBondContact O-N 3Å
425S83.1Confident88.7Confident14 Ų1447.7 Ų47.710%0.09828%0.281CS..THydrogen-bonded Turntrans-1399.3-157.689.80000114.7K390 V391 V422 E423K390-S425 CarbonylContact C-O 3.55Å; K390-S425 WeakPolarHBondContact CA-O 3.48Å; K390-S425 PolarHBondContact N-O 3.42Å; V391-S425 PolarHBondContact N-O 3.1Å; V422-S425 WeakPolarHBondContact O-CA 3.43Å; V422-S425 WeakPolarHBondContact O-CB 3.28Å; V422-S425 PolarHBondContact O-N 3.09Å; V422-S425 PolarHBondContact O-OG 3.42Å; E423-S425 PolarHBondContact O-N 3.48Å
426F92Very high88.6Confident21 Ų2142.8 Ų42.89%0.09226%0.263CS..EExtended strand (participates in β ladder)trans-118.5150.3175.977.5-88.1000112.9L383 V391 V414 R415 V418 L428L383-F426 HydrophobicContact CD1-CB 4.4Å; L383-F426 HydrophobicContact CD1-CD2 4.44Å; L383-F426 HydrophobicContact CD1-CG 4.31Å; V391-F426 HydrophobicContact CG2-CB 3.65Å; V391-F426 CarbonylContact O-C 3.45Å; V391-F426 VanDerWaalsContact O-CA 3.29Å; V391-F426 WeakPolarHBondContact O-CA 3.39Å; V414-F426 HydrophobicContact CB-CE2 4.1Å; V414-F426 HydrophobicContact CB-CZ 3.96Å; V414-F426 HydrophobicContact CG1-CD2 4.23Å; V414-F426 HydrophobicContact CG1-CE1 4.04Å; V414-F426 HydrophobicContact CG1-CE2 3.55Å; V414-F426 HydrophobicContact CG1-CZ 3.42Å; V414-F426 VanDerWaalsContact CG1-CZ 3.42Å; R415-F426 HydrophobicContact CB-CZ 4.37Å; R415-F426 HydrophobicContact CG-CE1 3.94Å; R415-F426 HydrophobicContact CG-CZ 3.5Å; V418-F426 HydrophobicContact CG2-CD1 4.39Å; V418-F426 HydrophobicContact CG2-CE1 3.9Å; F426-L428 HydrophobicContact CD2-CD2 3.78Å; F426-L428 HydrophobicContact CD2-CG 4.13Å; F426-L428 HydrophobicContact CE2-CD2 3.97Å; F426-L428 HydrophobicContact CE2-CG 3.97Å
427T95Very high88.5Confident81 Ų8141.9 Ų41.950%0.49726%0.258SS..EExtended strand (participates in β ladder)trans-131.4125.6170.6-60.40000109.4V391 I392 V393 V429V391-T427 PolarHBondContact O-N 2.81Å; I392-T427 WeakPolarHBondContact CA-O 3.46Å; V393-T427 PolarHBondContact N-O 2.88Å; T427-V429 HydrophobicContact CG2-CG1 3.91Å
428L96Very high88.4Confident10 Ų1041.9 Ų41.95%0.05226%0.258CS..EExtended strand (participates in β ladder)trans-88.7124.7170.2-50.3-171000108.7V393 I395 V410 K411 V414 F426V393-L428 HydrophobicContact CB-CD2 3.51Å; V393-L428 HydrophobicContact CG1-CD2 4.01Å; V393-L428 HydrophobicContact CG2-CD2 3.68Å; I395-L428 HydrophobicContact CD1-CB 4.43Å; I395-L428 HydrophobicContact CD1-CD1 4.23Å; I395-L428 HydrophobicContact CD1-CD2 4.43Å; V410-L428 HydrophobicContact CG1-CD1 3.79Å; K411-L428 HydrophobicContact CB-CD1 3.99Å; V414-L428 HydrophobicContact CG2-CD1 4.47Å; F426-L428 HydrophobicContact CD2-CD2 3.78Å; F426-L428 HydrophobicContact CD2-CG 4.13Å; F426-L428 HydrophobicContact CE2-CD2 3.97Å; F426-L428 HydrophobicContact CE2-CG 3.97Å
429V95.5Very high88.5Confident28 Ų2841.5 Ų41.517%0.1726%0.255CS..EExtended strand (participates in β ladder)trans-118.6142.3175.9-58.60000109.3T201 M205 I392 V393 I395 T427 A431T201-V429 HydrophobicContact CG2-CG2 3.65Å; M205-V429 HydrophobicContact CE-CG1 4.46Å; I392-V429 HydrophobicContact CG2-CG1 4.18Å; I392-V429 HydrophobicContact CG2-CG2 3.63Å; V393-V429 PolarHBondContact O-N 3.16Å; I395-V429 PolarHBondContact N-O 3.35Å; T427-V429 HydrophobicContact CG2-CG1 3.91Å; V429-A431 PolarHBondContact O-N 2.95Å
430Q93.3Very high88.7Confident90 Ų9038.1 Ų38.142%0.42124%0.237SC..EExtended strand (participates in β ladder)trans-80.7111.6169.4-173.8179.7-2500107.9I395 Y400 G432I395-Q430 CarbonylContact O-C 3.26Å; I395-Q430 VanDerWaalsContact O-CA 3.31Å; I395-Q430 WeakPolarHBondContact O-CA 3.49Å; Y400-Q430 HydrophobicContact CD1-CG 4.26Å; Y400-Q430 HydrophobicContact CE1-CB 4.18Å; Y400-Q430 HydrophobicContact CE1-CG 4.24Å; Q430-G432 PolarHBondContact O-N 3.48Å
431A84.7Confident89.1Confident5 Ų533 Ų334%0.04120%0.204CC..  trans-70.7120.5178.800000109.2T197 T201 I395 D396 V429 D433T197-A431 HydrophobicContact CG2-CB 3.8Å; T201-A431 WeakPolarHBondContact OG1-CB 3.32Å; I395-A431 PolarHBondContact O-N 3.31Å; D396-A431 HydrophobicContact CB-CB 4.25Å; V429-A431 PolarHBondContact O-N 2.95Å; A431-D433 PolarHBondContact O-N 3.13Å
432G77.9Confident89.8Confident40 Ų4029 Ų2941%0.41218%0.176SC..THydrogen-bonded Turntrans-81.297.3176.700000110.8Q430 K437Q430-G432 PolarHBondContact O-N 3.48Å; G432-K437 PolarHBondContact O-NZ 2.84Å
433D79.3Confident90.5Very high33 Ų3328.9 Ų28.918%0.17618%0.175CC..THydrogen-bonded Turntrans6456.7-179.2-1713.7000112.7R78 A431 K437R78-D433 IonicContact CZ-OD1 2.88Å; R78-D433 IonicContact CZ-OD2 2.69Å; R78-D433 IonicContact NE-OD1 3.08Å; R78-D433 IonicContact NH1-OD1 3.63Å; R78-D433 PolarHBondContact NH1-OD1 3.06Å; R78-D433 IonicContact NH1-OD2 3.01Å; R78-D433 PolarHBondContact NH1-OD2 2.7Å; R78-D433 IonicContact NH2-OD1 2.68Å; R78-D433 PolarHBondContact NH2-OD1 2.75Å; A431-D433 PolarHBondContact O-N 3.13Å; D433-K437 WeakPolarHBondContact O-CG 3.29Å
434G86Confident91.3Very high1 Ų123.9 Ų23.91%0.0115%0.152CC..Hα-helixtrans-71-46.6-172.400000113G196 A200 D396 G436 G438G196-G434 CarbonylContact C-O 3.53Å; G196-G434 VanDerWaalsContact C-O 3.26Å; G196-G434 VanDerWaalsContact O-O 3.06Å; A200-G434 WeakPolarHBondContact CB-O 3.08Å; D396-G434 PolarHBondContact OD2-N 3.38Å; G434-G436 PolarHBondContact O-N 3.13Å; G434-G438 WeakPolarHBondContact O-CA 3.21Å; G434-G438 PolarHBondContact O-N 2.96Å
435S90Very high92.3Very high9 Ų919 Ų196%0.06311%0.111CC..Hα-helixtrans-63.9-42.8-173.453.50000114D71 R78 T138 A439D71-S435 WeakPolarHBondContact OD2-CB 3.35Å; D71-S435 PolarHBondContact OD2-OG 3.27Å; R78-S435 PolarHBondContact NH2-OG 3.33Å; T138-S435 PolarHBondContact OG1-O 2.75Å; S435-A439 PolarHBondContact O-N 2.88Å
436G92.5Very high93Very high1 Ų118.3 Ų18.31%0.0111%0.107CC..Hα-helixtrans-73.6-49.2-177.400000112.7A69 G434 G438 A439 A440A69-G436 WeakPolarHBondContact CB-O 3.44Å; G434-G436 PolarHBondContact O-N 3.13Å; G436-G438 VanDerWaalsContact C-N 3.31Å; G436-G438 PolarHBondContact O-N 3.11Å; G436-A439 PolarHBondContact O-N 3.01Å; G436-A440 PolarHBondContact O-N 3.44Å
437K95Very high93.1Very high61 Ų6122.2 Ų22.227%0.26512%0.123SC..Hα-helixtrans-63.1-40175.1-67.5174.9-178.5167.30111.5L80 M82 A200 G432 D433 A439 A440 L441L80-K437 HydrophobicContact CD1-CG 4.45Å; M82-K437 HydrophobicContact CE-CB 4.21Å; M82-K437 HydrophobicContact CE-CG 4.37Å; M82-K437 HydrophobicContact SD-CB 4Å; M82-K437 HydrophobicContact SD-CG 4.21Å; A200-K437 HydrophobicContact CB-CB 4.08Å; G432-K437 PolarHBondContact O-NZ 2.84Å; D433-K437 WeakPolarHBondContact O-CG 3.29Å; K437-A439 VanDerWaalsContact C-N 3.32Å; K437-A439 PolarHBondContact O-N 3.15Å; K437-A440 PolarHBondContact O-N 3.35Å; K437-L441 PolarHBondContact O-N 3.29Å
438G96.6Very high93.1Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-58.6-42.2177.400000112.8G196 G434 G436 A440 L441 V442G196-G438 VanDerWaalsContact O-CA 3.23Å; G196-G438 WeakPolarHBondContact O-CA 3.4Å; G434-G438 WeakPolarHBondContact O-CA 3.21Å; G434-G438 PolarHBondContact O-N 2.96Å; G436-G438 VanDerWaalsContact C-N 3.31Å; G436-G438 PolarHBondContact O-N 3.11Å; G438-A440 PolarHBondContact O-N 2.68Å; G438-L441 PolarHBondContact O-N 3.45Å; G438-V442 WeakPolarHBondContact O-CG2 3.46Å; G438-V442 PolarHBondContact O-N 2.87Å
439A97.4Very high93Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-59.6-44.917500000113.4A69 G136 T138 M191 S435 G436 K437 L441 V442 A443A69-A439 HydrophobicContact CB-CB 3.81Å; G136-A439 WeakPolarHBondContact CA-O 3.42Å; T138-A439 VanDerWaalsContact OG1-CB 3.31Å; T138-A439 WeakPolarHBondContact OG1-CB 3.17Å; M191-A439 HydrophobicContact CE-CB 3.66Å; M191-A439 HydrophobicContact SD-CB 4.04Å; S435-A439 PolarHBondContact O-N 2.88Å; G436-A439 PolarHBondContact O-N 3.01Å; K437-A439 VanDerWaalsContact C-N 3.32Å; K437-A439 PolarHBondContact O-N 3.15Å; A439-L441 VanDerWaalsContact C-N 3.34Å; A439-L441 PolarHBondContact O-N 2.91Å; A439-V442 PolarHBondContact O-N 3.22Å; A439-A443 PolarHBondContact O-N 3.35Å
440A97.2Very high92.9Very high0 Ų029.5 Ų29.50%016%0.156CC..Hα-helixtrans-62.4-41.7175.900000111.8A69 L80 M82 G436 K437 G438 A443 A444A69-A440 HydrophobicContact CB-CB 4.14Å; L80-A440 HydrophobicContact CD2-CB 4.48Å; M82-A440 HydrophobicContact CB-CB 3.64Å; M82-A440 HydrophobicContact CG-CB 4.29Å; M82-A440 HydrophobicContact SD-CB 3.71Å; G436-A440 PolarHBondContact O-N 3.44Å; K437-A440 PolarHBondContact O-N 3.35Å; G438-A440 PolarHBondContact O-N 2.68Å; A440-A443 WeakPolarHBondContact O-CB 3.45Å; A440-A443 PolarHBondContact O-N 2.65Å; A440-A444 PolarHBondContact O-N 2.88Å
441L97.2Very high92.8Very high1 Ų128.2 Ų28.21%0.00515%0.151CC..Hα-helixtrans-65.5-41.4176.5-76.7160.4000112.7E63 M82 I84 V199 H203 K437 G438 A439 A443 A444 I445E63-L441 HydrophobicContact CB-CD2 4.41Å; E63-L441 HydrophobicContact CG-CD2 4.44Å; M82-L441 HydrophobicContact CE-CD1 4.34Å; M82-L441 HydrophobicContact CE-CG 4.3Å; I84-L441 HydrophobicContact CD1-CD2 3.82Å; I84-L441 HydrophobicContact CD1-CG 4.21Å; V199-L441 HydrophobicContact CG1-CB 3.47Å; V199-L441 VanDerWaalsContact CG1-CB 3.47Å; V199-L441 HydrophobicContact CG1-CD1 4.1Å; V199-L441 HydrophobicContact CG1-CG 4.41Å; H203-L441 HydrophobicContact CB-CD1 3.6Å; H203-L441 HydrophobicContact CB-CD2 4.22Å; H203-L441 VanDerWaalsContact CD2-CD2 3.41Å; H203-L441 WeakPolarHBondContact CD2-CD2 3.24Å; K437-L441 PolarHBondContact O-N 3.29Å; G438-L441 PolarHBondContact O-N 3.45Å; A439-L441 VanDerWaalsContact C-N 3.34Å; A439-L441 PolarHBondContact O-N 2.91Å; L441-A443 VanDerWaalsContact C-N 3.31Å; L441-A443 PolarHBondContact O-N 2.65Å; L441-A444 WeakPolarHBondContact O-CB 3.45Å; L441-A444 PolarHBondContact O-N 3.32Å; L441-A444 VanDerWaalsContact O-N 3.12Å; L441-I445 WeakPolarHBondContact O-CG1 3.44Å; L441-I445 PolarHBondContact O-N 3.39Å
442V97.9Very high91.9Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-63.5-39.6174.9173.20000110.7V55 L148 A189 M191 V199 G438 A439 A444 I445 A446V55-V442 HydrophobicContact CG1-CG2 4.38Å; V55-V442 HydrophobicContact CG2-CG1 3.74Å; V55-V442 HydrophobicContact CG2-CG2 4.14Å; L148-V442 HydrophobicContact CD2-CG1 4.21Å; A189-V442 HydrophobicContact CB-CG1 3.67Å; M191-V442 HydrophobicContact SD-CB 3.56Å; M191-V442 VanDerWaalsContact SD-CB 3.56Å; M191-V442 HydrophobicContact SD-CG1 3.75Å; M191-V442 HydrophobicContact SD-CG2 3.73Å; V199-V442 HydrophobicContact CB-CG2 4.28Å; V199-V442 HydrophobicContact CG1-CG2 4.09Å; V199-V442 HydrophobicContact CG2-CG2 3.86Å; G438-V442 WeakPolarHBondContact O-CG2 3.46Å; G438-V442 PolarHBondContact O-N 2.87Å; A439-V442 PolarHBondContact O-N 3.22Å; V442-A444 VanDerWaalsContact C-N 3.29Å; V442-A444 PolarHBondContact O-N 3.29Å; V442-I445 PolarHBondContact O-N 2.97Å; V442-A446 VanDerWaalsContact O-CB 3.31Å; V442-A446 WeakPolarHBondContact O-CB 3.44Å; V442-A446 PolarHBondContact O-N 3.5Å
443A97.9Very high92.6Very high0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-61.8-3817300000111.9Y67 A188 A439 A440 L441 A446 K447Y67-A443 HydrophobicContact CD1-CB 3.82Å; Y67-A443 HydrophobicContact CE1-CB 4.45Å; Y67-A443 HydrophobicContact CG-CB 4.47Å; A188-A443 HydrophobicContact CB-CB 4.33Å; A439-A443 PolarHBondContact O-N 3.35Å; A440-A443 WeakPolarHBondContact O-CB 3.45Å; A440-A443 PolarHBondContact O-N 2.65Å; L441-A443 VanDerWaalsContact C-N 3.31Å; L441-A443 PolarHBondContact O-N 2.65Å; A443-A446 PolarHBondContact O-N 2.95Å; A443-K447 WeakPolarHBondContact O-CB 3.36Å; A443-K447 PolarHBondContact O-N 2.79Å
444A97.3Very high93.3Very high2 Ų229.3 Ų29.32%0.01715%0.15CC..Hα-helixtrans-64.6-46.4174.400000112.6E63 Y67 I84 A440 L441 V442 A446 K447 Q448E63-A444 HydrophobicContact CB-CB 4.12Å; E63-A444 HydrophobicContact CG-CB 4.32Å; Y67-A444 HydrophobicContact CD2-CB 4.06Å; Y67-A444 HydrophobicContact CE1-CB 4.06Å; Y67-A444 HydrophobicContact CE2-CB 3.45Å; Y67-A444 VanDerWaalsContact CE2-CB 3.45Å; Y67-A444 VanDerWaalsContact CZ-CA 3.41Å; Y67-A444 VanDerWaalsContact CZ-CB 3.46Å; I84-A444 HydrophobicContact CD1-CB 4.06Å; A440-A444 PolarHBondContact O-N 2.88Å; L441-A444 WeakPolarHBondContact O-CB 3.45Å; L441-A444 PolarHBondContact O-N 3.32Å; L441-A444 VanDerWaalsContact O-N 3.12Å; V442-A444 VanDerWaalsContact C-N 3.29Å; V442-A444 PolarHBondContact O-N 3.29Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 3.48Å; A444-K447 PolarHBondContact O-N 3.17Å; A444-Q448 WeakPolarHBondContact O-CB 3.29Å; A444-Q448 PolarHBondContact O-N 3.05Å
445I97Very high93.7Very high1 Ų130.9 Ų30.91%0.00516%0.158CC..Hα-helixtrans-60.4-45.3175.5-68.2164.5000110.3R57 P59 E63 V199 L441 V442 K447 Q448 L449R57-I445 HydrophobicContact CG-CG2 4.29Å; P59-I445 HydrophobicContact CB-CD1 4.3Å; E63-I445 HydrophobicContact CG-CG1 4.05Å; V199-I445 HydrophobicContact CG1-CD1 4.47Å; L441-I445 WeakPolarHBondContact O-CG1 3.44Å; L441-I445 PolarHBondContact O-N 3.39Å; V442-I445 PolarHBondContact O-N 2.97Å; I445-K447 VanDerWaalsContact C-N 3.29Å; I445-K447 PolarHBondContact O-N 3.41Å; I445-Q448 PolarHBondContact O-N 2.97Å; I445-L449 HydrophobicContact CG2-CD1 3.73Å; I445-L449 HydrophobicContact CG2-CG 4.37Å; I445-L449 WeakPolarHBondContact O-CB 3.5Å; I445-L449 WeakPolarHBondContact O-CG 3.39Å; I445-L449 PolarHBondContact O-N 3Å
446A96.3Very high94Very high0 Ų032.2 Ų32.20%016%0.163CC..Hα-helixtrans-58.9-42.2178.800000111.7L148 V442 A443 A444 N450 L451L148-A446 HydrophobicContact CD1-CB 3.67Å; V442-A446 VanDerWaalsContact O-CB 3.31Å; V442-A446 WeakPolarHBondContact O-CB 3.44Å; V442-A446 PolarHBondContact O-N 3.5Å; A443-A446 PolarHBondContact O-N 2.95Å; A444-A446 VanDerWaalsContact C-N 3.34Å; A444-A446 PolarHBondContact O-N 3.48Å; A446-N450 PolarHBondContact O-N 2.65Å; A446-N450 VanDerWaalsContact O-N 3.16Å; A446-L451 PolarHBondContact O-N 2.95Å
447K95.9Very high94.1Very high103 Ų10334.1 Ų34.145%0.44817%0.173SC..Hα-helixtrans-66.9-46.8176.7-175.6175.9-174.9166.20112.2Y67 D134 A443 A444 I445 L449 N450Y67-K447 HydrophobicContact CE1-CD 4.11Å; D134-K447 IonicContact OD2-NZ 3.46Å; A443-K447 WeakPolarHBondContact O-CB 3.36Å; A443-K447 PolarHBondContact O-N 2.79Å; A444-K447 PolarHBondContact O-N 3.17Å; I445-K447 VanDerWaalsContact C-N 3.29Å; I445-K447 PolarHBondContact O-N 3.41Å; K447-L449 PolarHBondContact O-N 3.09Å; K447-N450 PolarHBondContact O-N 2.67Å
448Q94.9Very high94Very high87 Ų8732.3 Ų32.341%0.40717%0.166SC..Hα-helixtrans-60-36.8179.5-175.4-17910.700112.2R57 S62 A444 I445R57-Q448 VanDerWaalsContact NH2-CD 3.31Å; S62-Q448 PolarHBondContact OG-NE2 2.95Å; A444-Q448 WeakPolarHBondContact O-CB 3.29Å; A444-Q448 PolarHBondContact O-N 3.05Å; I445-Q448 PolarHBondContact O-N 2.97Å
449L94.2Very high93.8Very high39 Ų3934.6 Ų34.620%0.20418%0.178CC..THydrogen-bonded Turntrans-91.83.4-178.3-63.4-179.1000113.9P56 R57 Y239 I445 K447 L451P56-L449 HydrophobicContact CG-CD1 3.43Å; P56-L449 VanDerWaalsContact CG-CD1 3.43Å; R57-L449 HydrophobicContact CG-CD1 4.45Å; Y239-L449 HydrophobicContact CE1-CD1 4Å; Y239-L449 HydrophobicContact CE1-CD2 4.31Å; I445-L449 HydrophobicContact CG2-CD1 3.73Å; I445-L449 HydrophobicContact CG2-CG 4.37Å; I445-L449 WeakPolarHBondContact O-CB 3.5Å; I445-L449 WeakPolarHBondContact O-CG 3.39Å; I445-L449 PolarHBondContact O-N 3Å; K447-L449 PolarHBondContact O-N 3.09Å; L449-L451 HydrophobicContact CB-CD1 3.81Å; L449-L451 HydrophobicContact CB-CG 3.73Å; L449-L451 HydrophobicContact CD1-CD1 3.92Å; L449-L451 PolarHBondContact O-N 3.1Å
450N93Very high93.5Very high147 Ų14737.3 Ų37.379%0.78619%0.192SC*.THydrogen-bonded Turntrans52.437.3-174-61.1-49.8000113.7A446 K447A446-N450 PolarHBondContact O-N 2.65Å; A446-N450 VanDerWaalsContact O-N 3.16Å; K447-N450 PolarHBondContact O-N 2.67Å
451L89.6Confident93.2Very high62 Ų6240.4 Ų40.433%0.32521%0.208SC..  trans-91.8-7.9176.8-60.6176.1000113P56 L148 Y239 A446 L449P56-L451 HydrophobicContact CG-CD1 3.91Å; L148-L451 HydrophobicContact CD1-CB 3.97Å; L148-L451 HydrophobicContact CD1-CD1 4.18Å; Y239-L451 HydrophobicContact CE2-CD1 4.21Å; Y239-L451 HydrophobicContact CE2-CD2 4.11Å; A446-L451 PolarHBondContact O-N 2.95Å; L449-L451 HydrophobicContact CB-CD1 3.81Å; L449-L451 HydrophobicContact CB-CG 3.73Å; L449-L451 HydrophobicContact CD1-CD1 3.92Å; L449-L451 PolarHBondContact O-N 3.1Å
452S67.6Low92.9Very high43 Ų4344 Ų4430%0.30123%0.227SC..  trans-96.70-17672.50000114.1R149 R186R149-S452 WeakPolarHBondContact CD-OXT 3.49Å; R149-S452 PolarHBondContact NE-OXT 2.87Å; R149-S452 PolarHBondContact NH1-OXT 2.74Å; R186-S452 VanDerWaalsContact NH1-C 3.28Å; R186-S452 PolarHBondContact NH1-O 3.16Å; R186-S452 VanDerWaalsContact NH1-O 3.16Å; R186-S452 PolarHBondContact NH1-OXT 3.2Å; R186-S452 PolarHBondContact NH2-OG 2.95Å

Retrieved 452 of 452 residues in 235.7 ms (Link to these results)

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