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Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial

Flavoprotein (FP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q). Two distinct, membrane-bound, FAD-containing enzymes are responsible for the catalysis of fumarate and succinate interconversion; the fumarate reductase is used in anaerobic growth, and the succinate dehydrogenase is used in aerobic growth.

AlphaFold DB , UniProt , Accession A0A077ZH40, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 588 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
1M48.4Very low91.3Very high198 Ų19880.2 Ų80.298%0.97539%0.389SS*.  0118.80-169.3-170.9-130.400105.5L3M1-L3 PolarHBondContact O-N 3.04Å
2K80.2Confident92Very high189 Ų18973.5 Ų73.582%0.82236%0.357SS*.  trans-68.6104.6-176.5-86.1-174.5174.2-178.40110
3L94.4Very high92.5Very high33 Ų3368.5 Ų68.517%0.17333%0.333CS..  trans-59.9146.8171.8-66.1-178.8000110.1M1 T181 V190 V437 L441M1-L3 PolarHBondContact O-N 3.04Å; L3-T181 HydrophobicContact CD1-CG2 3.98Å; L3-V190 HydrophobicContact CD1-CG1 3.88Å; L3-V190 HydrophobicContact CD2-CB 3.93Å; L3-V190 HydrophobicContact CD2-CG1 3.87Å; L3-V437 HydrophobicContact CD1-CG1 3.83Å; L3-L441 HydrophobicContact CD1-CD1 3.91Å; L3-L441 HydrophobicContact CD1-CD2 4.2Å; L3-L441 HydrophobicContact CD1-CG 4.5Å; L3-L441 HydrophobicContact CD2-CD1 4.5Å; L3-L441 HydrophobicContact CG-CD1 4.41Å
4P97Very high92.9Very high59 Ų5964.4 Ų64.438%0.38332%0.318SS..  trans-54.3142162.5-2031000110.4V190 V191 Y192P4-V190 WeakPolarHBondContact CD-O 3.47Å; P4-V191 HydrophobicContact CB-CG2 4.21Å; P4-V191 HydrophobicContact CG-CG2 4.43Å; P4-V191 WeakPolarHBondContact O-CG1 3.35Å; P4-Y192 PolarHBondContact O-N 2.75Å
5V97.8Very high93.3Very high87 Ų8760.2 Ų60.253%0.52730%0.297SS..EExtended strand (participates in β ladder)trans-116.4131.7178.8-174.30000109.1Y192 K194V5-Y192 CarbonylContact C-O 3.57Å; V5-Y192 WeakPolarHBondContact CA-O 3.38Å; V5-Y192 HydrophobicContact CG1-CD1 3.93Å; V5-Y192 HydrophobicContact CG1-CE1 4.44Å; V5-Y192 HydrophobicContact CG2-CD1 4.05Å; V5-K194 HydrophobicContact CG1-CB 4.09Å
6R98.1Very high93.7Very high105 Ų10557.1 Ų57.140%0.39629%0.285SS..EExtended strand (participates in β ladder)trans-117.4126.7169.2-64.7-178.1-179.1-116.75.5108.6F8 V191 Y192 F193 K194R6-F8 HydrophobicContact CB-CD2 4.46Å; R6-F8 HydrophobicContact CB-CE2 3.95Å; R6-V191 HydrophobicContact CB-CG1 4.35Å; R6-V191 HydrophobicContact CG-CG1 3.84Å; R6-Y192 PolarHBondContact N-O 3.45Å; R6-F193 HydrophobicContact CB-CD1 4.24Å; R6-F193 HydrophobicContact CB-CE1 4.41Å; R6-F193 CarbonylContact O-C 3.29Å; R6-F193 WeakPolarHBondContact O-CA 3.35Å; R6-K194 PolarHBondContact O-N 2.82Å
7E97.9Very high94Very high135 Ų13553.7 Ų53.763%0.63127%0.268SS*.EExtended strand (participates in β ladder)trans-109.6132.1-175.6-171.4163.7-152.500110.7K194E7-K194 WeakPolarHBondContact CA-O 3.5Å; E7-K194 HydrophobicContact CG-CB 4.5Å; E7-K194 HydrophobicContact CG-CD 4.23Å; E7-K194 HydrophobicContact CG-CG 4.48Å; E7-K194 WeakPolarHBondContact OE1-CD 3.48Å; E7-K194 WeakPolarHBondContact OE1-CE 3.36Å; E7-K194 IonicContact OE1-NZ 3.17Å; E7-K194 PolarHBondContact OE1-NZ 2.9Å
8F97.7Very high94.2Very high31 Ų3150.9 Ų50.914%0.13626%0.255CS..EExtended strand (participates in β ladder)trans-141.2159.4178.5-69.4-94000109.7R6 A10 A34 T159 F161 F193 K194 A195R6-F8 HydrophobicContact CB-CD2 4.46Å; R6-F8 HydrophobicContact CB-CE2 3.95Å; F8-A10 VanDerWaalsContact C-N 3.33Å; F8-A10 WeakPolarHBondContact CB-O 3.4Å; F8-A34 HydrophobicContact CD1-CB 3.99Å; F8-A34 HydrophobicContact CD2-CB 3.6Å; F8-A34 HydrophobicContact CE1-CB 4.05Å; F8-A34 HydrophobicContact CE2-CB 3.65Å; F8-A34 HydrophobicContact CG-CB 3.78Å; F8-A34 HydrophobicContact CZ-CB 3.89Å; F8-T159 HydrophobicContact CE1-CG2 4.32Å; F8-T159 HydrophobicContact CZ-CG2 4.2Å; F8-F161 HydrophobicContact CE2-CE2 4.12Å; F8-F161 HydrophobicContact CE2-CZ 4.25Å; F8-F161 AromaticContact CZ-CE2 3.82Å; F8-F161 HydrophobicContact CZ-CE2 3.82Å; F8-F161 HydrophobicContact CZ-CZ 4.02Å; F8-F193 HydrophobicContact CE2-CD1 4.44Å; F8-K194 PolarHBondContact N-O 2.75Å; F8-A195 VanDerWaalsContact O-CA 3.31Å; F8-A195 WeakPolarHBondContact O-CA 3.06Å
9D96.1Very high94.5Very high45 Ų4548.3 Ų48.324%0.24124%0.242CC..EExtended strand (participates in β ladder)trans-65.9-42.4171.6-60.9-59.6000110.2Q31 T32 R196 A197D9-Q31 HydrophobicContact CB-CB 4.16Å; D9-T32 WeakPolarHBondContact CB-O 3.34Å; D9-T32 PolarHBondContact N-O 2.8Å; D9-T32 PolarHBondContact N-OG1 3.29Å; D9-T32 PolarHBondContact OD2-N 3.5Å; D9-T32 PolarHBondContact OD2-OG1 2.88Å; D9-R196 PolarHBondContact O-N 2.81Å; D9-A197 PolarHBondContact O-N 2.92Å
10A98.2Very high94.7Very high0 Ų045.9 Ų45.90%023%0.23CC..EExtended strand (participates in β ladder)trans-135146.7175.700000113.6F8 I26 T32 C33 A34 A197 L419F8-A10 VanDerWaalsContact C-N 3.33Å; F8-A10 WeakPolarHBondContact CB-O 3.4Å; A10-I26 HydrophobicContact CB-CD1 4.08Å; A10-I26 HydrophobicContact CB-CG2 4.21Å; A10-T32 PolarHBondContact N-O 2.7Å; A10-T32 VanDerWaalsContact N-O 3.11Å; A10-C33 WeakPolarHBondContact O-CA 3.4Å; A10-A34 PolarHBondContact O-N 2.9Å; A10-A197 CarbonylContact C-O 3.12Å; A10-A197 VanDerWaalsContact CA-O 3.26Å; A10-A197 WeakPolarHBondContact CA-O 3.36Å; A10-A197 HydrophobicContact CB-CB 4.32Å; A10-L419 HydrophobicContact CB-CD2 3.9Å
11V98.8Very high94.9Very high0 Ų043.7 Ų43.70%022%0.219CC..EExtended strand (participates in β ladder)trans-116.7121169.7163.70000108I13 A34 L36 F193 A195 A197 T198 V199V11-I13 HydrophobicContact CG1-CD1 4.42Å; V11-I13 HydrophobicContact CG1-CG1 3.9Å; V11-A34 CarbonylContact C-O 3.56Å; V11-A34 WeakPolarHBondContact CA-O 3.47Å; V11-A34 HydrophobicContact CG2-CB 4.1Å; V11-L36 HydrophobicContact CG1-CD1 3.67Å; V11-F193 HydrophobicContact CG2-CB 3.86Å; V11-A195 HydrophobicContact CB-CB 3.96Å; V11-A195 HydrophobicContact CG2-CB 3.6Å; V11-A197 PolarHBondContact N-O 2.9Å; V11-T198 CarbonylContact O-C 3.33Å; V11-T198 WeakPolarHBondContact O-CA 3.26Å; V11-V199 PolarHBondContact O-N 3.06Å
12V98.9Very high97.3Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-105.8121.8174.5-1780000108.5A23 I26 A34 L35 L36 V199 A201V12-A23 HydrophobicContact CB-CB 4.48Å; V12-A23 HydrophobicContact CG2-CB 4.18Å; V12-I26 HydrophobicContact CG2-CD1 3.98Å; V12-A34 PolarHBondContact N-O 2.84Å; V12-L35 HydrophobicContact CB-CD1 3.83Å; V12-L35 HydrophobicContact CG1-CD1 3.66Å; V12-L35 CarbonylContact O-C 3.6Å; V12-L35 WeakPolarHBondContact O-CA 3.37Å; V12-L36 PolarHBondContact O-N 3.08Å; V12-V199 CarbonylContact C-O 3.52Å; V12-V199 WeakPolarHBondContact CA-O 3.37Å; V12-V199 HydrophobicContact CB-CB 4.45Å; V12-V199 HydrophobicContact CG1-CB 4.38Å; V12-V199 HydrophobicContact CG2-CB 4.08Å; V12-V199 HydrophobicContact CG2-CG2 4.2Å; V12-A201 HydrophobicContact CG1-CB 4.39Å
13I98.9Very high98.1Very high8 Ų825.3 Ų25.34%0.04113%0.133CC..EExtended strand (participates in β ladder)trans-105.1106.2-178.2-49.3179.6000109.2V11 A166 C180 T198 V199 L200 A201 T202 M225V11-I13 HydrophobicContact CG1-CD1 4.42Å; V11-I13 HydrophobicContact CG1-CG1 3.9Å; I13-A166 HydrophobicContact CD1-CB 4.05Å; I13-A166 HydrophobicContact CG2-CB 3.52Å; I13-C180 HydrophobicContact CD1-CB 3.84Å; I13-T198 HydrophobicContact CD1-CG2 3.85Å; I13-T198 HydrophobicContact CG1-CG2 4.4Å; I13-V199 PolarHBondContact N-O 3.19Å; I13-L200 HydrophobicContact CB-CD2 4.18Å; I13-L200 HydrophobicContact CD1-CD2 3.93Å; I13-L200 HydrophobicContact CG1-CD2 4.46Å; I13-A201 CarbonylContact O-C 3.43Å; I13-A201 VanDerWaalsContact O-C 3.29Å; I13-A201 WeakPolarHBondContact O-CA 3.46Å; I13-A201 PolarHBondContact O-N 2.98Å; I13-T202 HydrophobicContact CB-CG2 4.31Å; I13-T202 HydrophobicContact CG2-CG2 3.81Å; I13-T202 VanDerWaalsContact O-CG2 3.3Å; I13-T202 WeakPolarHBondContact O-CG2 3.39Å; I13-T202 PolarHBondContact O-N 3.17Å; I13-M225 HydrophobicContact CD1-CE 4.36Å; I13-M225 HydrophobicContact CG2-CE 4.24Å
14G98.8Very high98.3Very high12 Ų1223.7 Ų23.712%0.12413%0.125CC..  trans115.2118.7-179.300000112G16 G19 L36G14-G16 PolarHBondContact O-N 2.72Å; G14-G19 WeakPolarHBondContact O-CA 3.31Å; G14-L36 WeakPolarHBondContact CA-O 3.3Å; G14-L36 PolarHBondContact N-O 3.27Å
15A98.7Very high98.4Very high1 Ų122 Ų221%0.00811%0.112CC..  trans-100.838.6-179.500000113.3M20 L35 P41 S44A15-M20 HydrophobicContact CB-CG 4.18Å; A15-M20 WeakPolarHBondContact O-CE 3.3Å; A15-L35 HydrophobicContact CB-CD1 4.1Å; A15-L35 HydrophobicContact CB-CD2 3.92Å; A15-L35 HydrophobicContact CB-CG 4.01Å; A15-P41 HydrophobicContact CB-CB 3.75Å; A15-P41 HydrophobicContact CB-CG 3.85Å; A15-S44 VanDerWaalsContact C-OG 3.26Å; A15-S44 PolarHBondContact O-OG 3.2Å
16G98.7Very high98.4Very high10 Ų1017.9 Ų17.910%0.1039%0.087CC..SBendtrans-76.3-169.6166.800000112.3G14 A18 G19 M20 S44G14-G16 PolarHBondContact O-N 2.72Å; G16-A18 VanDerWaalsContact C-N 3.33Å; G16-A18 PolarHBondContact O-N 2.69Å; G16-G19 PolarHBondContact O-N 2.89Å; G16-M20 WeakPolarHBondContact O-CB 3.48Å; G16-M20 PolarHBondContact O-N 3.19Å; G16-S44 PolarHBondContact N-OG 3.17Å
17G98.6Very high98.4Very high0 Ų013.9 Ų13.90%08%0.075CC..Hα-helixtrans-56.5-43.6-179.900000113.5R21 T46 L149G17-R21 VanDerWaalsContact O-CB 3.31Å; G17-R21 WeakPolarHBondContact O-CB 3.48Å; G17-R21 PolarHBondContact O-N 3.27Å; G17-R21 VanDerWaalsContact O-N 3.08Å; G17-T46 PolarHBondContact N-OG1 2.9Å; G17-T46 VanDerWaalsContact N-OG1 3.11Å; G17-L149 WeakPolarHBondContact O-CD1 3.28Å
18A98.8Very high98.3Very high4 Ų411.3 Ų11.33%0.0336%0.063CC..Hα-helixtrans-69.8-49.1-178.900000112.3G16 R21 A22 V386 L408G16-A18 VanDerWaalsContact C-N 3.33Å; G16-A18 PolarHBondContact O-N 2.69Å; A18-R21 PolarHBondContact O-N 2.93Å; A18-A22 WeakPolarHBondContact O-CB 3.44Å; A18-A22 PolarHBondContact O-N 3.37Å; A18-V386 HydrophobicContact CB-CB 4.25Å; A18-V386 HydrophobicContact CB-CG2 3.86Å; A18-L408 WeakPolarHBondContact CA-O 3.45Å; A18-L408 HydrophobicContact CB-CB 4.04Å; A18-L408 HydrophobicContact CB-CD2 4.04Å
19G98.8Very high98.2Very high0 Ų012.1 Ų12.10%07%0.072CC..Hα-helixtrans-66.8-39.5-178.300000113G14 G16 R21 A22 A23 A201G14-G19 WeakPolarHBondContact O-CA 3.31Å; G16-G19 PolarHBondContact O-N 2.89Å; G19-R21 VanDerWaalsContact C-N 3.34Å; G19-R21 PolarHBondContact O-N 3.18Å; G19-A22 PolarHBondContact O-N 3.01Å; G19-A23 VanDerWaalsContact O-CB 3.25Å; G19-A23 WeakPolarHBondContact O-CB 3.32Å; G19-A23 PolarHBondContact O-N 3Å; G19-A201 VanDerWaalsContact CA-CB 3.45Å
20M98.8Very high98.2Very high0 Ų012.9 Ų12.90%09%0.091CC..Hα-helixtrans-67.7-32.9172.7-77.9-163.3-65.200112.8A15 G16 L24 L35 P41 L146 L149 Y150 N153A15-M20 HydrophobicContact CB-CG 4.18Å; A15-M20 WeakPolarHBondContact O-CE 3.3Å; G16-M20 WeakPolarHBondContact O-CB 3.48Å; G16-M20 PolarHBondContact O-N 3.19Å; M20-L24 WeakPolarHBondContact O-CB 3.43Å; M20-L24 PolarHBondContact O-N 2.75Å; M20-L35 HydrophobicContact CG-CD2 3.85Å; M20-P41 HydrophobicContact CE-CB 4.49Å; M20-P41 HydrophobicContact SD-CB 3.86Å; M20-L146 HydrophobicContact CE-CD1 3.1Å; M20-L146 HydrophobicContact CE-CG 3.64Å; M20-L146 WeakPolarHBondContact CE-O 3.46Å; M20-L149 HydrophobicContact CB-CB 4.03Å; M20-L149 HydrophobicContact CB-CD1 4.48Å; M20-L149 HydrophobicContact CE-CB 4.06Å; M20-Y150 HydrophobicContact SD-CD2 4.29Å; M20-N153 PolarHBondContact O-ND2 2.86Å; M20-N153 PolarHBondContact O-OD1 3.13Å
21R98.8Very high98Very high1 Ų114.9 Ų14.90%0.00410%0.101CC..Hα-helixtrans-70.5-38.6174.9-175.866.2-169.783-9.6111.9G17 A18 G19 Q25 E98 L149 V409 R413G17-R21 VanDerWaalsContact O-CB 3.31Å; G17-R21 WeakPolarHBondContact O-CB 3.48Å; G17-R21 PolarHBondContact O-N 3.27Å; G17-R21 VanDerWaalsContact O-N 3.08Å; A18-R21 PolarHBondContact O-N 2.93Å; G19-R21 VanDerWaalsContact C-N 3.34Å; G19-R21 PolarHBondContact O-N 3.18Å; R21-Q25 PolarHBondContact O-N 3.19Å; R21-Q25 VanDerWaalsContact O-N 3.17Å; R21-E98 IonicContact CZ-OE2 2.81Å; R21-E98 IonicContact NE-OE2 2.8Å; R21-E98 IonicContact NH2-OE1 2.93Å; R21-E98 PolarHBondContact NH2-OE1 2.94Å; R21-E98 VanDerWaalsContact NH2-OE1 3.12Å; R21-E98 IonicContact NH2-OE2 3.59Å; R21-E98 PolarHBondContact NH2-OE2 2.87Å; R21-L149 HydrophobicContact CB-CD1 4.36Å; R21-L149 HydrophobicContact CB-CD2 4.36Å; R21-V409 HydrophobicContact CG-CB 4.44Å; R21-V409 WeakPolarHBondContact CG-O 3.42Å; R21-R413 HydrophobicContact CG-CB 4.13Å
22A98.7Very high97.9Very high0 Ų018.2 Ų18.20%012%0.121CC..Hα-helixtrans-65.6-53.7174.500000111.4A18 G19 L24 Q25 I26 G412A18-A22 WeakPolarHBondContact O-CB 3.44Å; A18-A22 PolarHBondContact O-N 3.37Å; G19-A22 PolarHBondContact O-N 3.01Å; A22-L24 VanDerWaalsContact C-N 3.26Å; A22-L24 PolarHBondContact O-N 3.42Å; A22-Q25 WeakPolarHBondContact O-CB 3.35Å; A22-Q25 PolarHBondContact O-N 3.28Å; A22-I26 VanDerWaalsContact O-CG1 3.23Å; A22-I26 WeakPolarHBondContact O-CG1 3.5Å; A22-I26 PolarHBondContact O-N 3.26Å; A22-G412 WeakPolarHBondContact CA-O 3.39Å; A22-G412 WeakPolarHBondContact CB-O 3.37Å
23A98.7Very high97.9Very high0 Ų018.4 Ų18.40%012%0.123CC..Hα-helixtrans-58.7-38.8179.800000112.3V12 G19 I26 S27 L35 T158V12-A23 HydrophobicContact CB-CB 4.48Å; V12-A23 HydrophobicContact CG2-CB 4.18Å; G19-A23 VanDerWaalsContact O-CB 3.25Å; G19-A23 WeakPolarHBondContact O-CB 3.32Å; G19-A23 PolarHBondContact O-N 3Å; A23-I26 PolarHBondContact O-N 2.99Å; A23-S27 WeakPolarHBondContact O-CB 3.35Å; A23-S27 PolarHBondContact O-N 2.77Å; A23-S27 PolarHBondContact O-OG 3.48Å; A23-L35 HydrophobicContact CB-CB 4.2Å; A23-L35 HydrophobicContact CB-CD1 4.14Å; A23-L35 HydrophobicContact CB-CD2 4.11Å; A23-L35 HydrophobicContact CB-CG 4.38Å; A23-T158 HydrophobicContact CB-CG2 3.84Å
24L98.6Very high97.9Very high0 Ų018 Ų180%012%0.121CC..Hα-helixtrans-59.1-50.5173.2176.659.9000111.6M20 A22 I26 S27 Q28 M102 L149 Q152 N153 N156M20-L24 WeakPolarHBondContact O-CB 3.43Å; M20-L24 PolarHBondContact O-N 2.75Å; A22-L24 VanDerWaalsContact C-N 3.26Å; A22-L24 PolarHBondContact O-N 3.42Å; L24-I26 VanDerWaalsContact C-N 3.34Å; L24-I26 PolarHBondContact O-N 3.26Å; L24-S27 PolarHBondContact O-N 3.45Å; L24-Q28 HydrophobicContact CD1-CG 4.13Å; L24-Q28 WeakPolarHBondContact O-CB 3.15Å; L24-Q28 VanDerWaalsContact O-CG 3.27Å; L24-Q28 WeakPolarHBondContact O-CG 3.3Å; L24-Q28 PolarHBondContact O-N 3.12Å; L24-M102 HydrophobicContact CD2-CE 3.84Å; L24-M102 HydrophobicContact CD2-SD 4.08Å; L24-L149 HydrophobicContact CD2-CD2 4.33Å; L24-Q152 HydrophobicContact CD1-CB 4.11Å; L24-Q152 HydrophobicContact CD2-CB 3.76Å; L24-N153 PolarHBondContact N-OD1 3.31Å; L24-N156 HydrophobicContact CD1-CB 3.93Å; L24-N156 WeakPolarHBondContact CD1-ND2 3.44Å
25Q98.2Very high97.9Very high23 Ų2317.5 Ų17.511%0.10712%0.115CC..Hα-helixtrans-62.6-42.5-179.4-16860.450.800112.2R21 A22 Q28 S29 G416 L417R21-Q25 PolarHBondContact O-N 3.19Å; R21-Q25 VanDerWaalsContact O-N 3.17Å; A22-Q25 WeakPolarHBondContact O-CB 3.35Å; A22-Q25 PolarHBondContact O-N 3.28Å; Q25-Q28 PolarHBondContact O-N 3.49Å; Q25-S29 PolarHBondContact O-N 3.42Å; Q25-G416 VanDerWaalsContact CG-C 3.48Å; Q25-L417 HydrophobicContact CG-CD2 4.26Å; Q25-L417 HydrophobicContact CG-CG 4.06Å
26I98.1Very high97.9Very high0 Ų017.5 Ų17.50%012%0.115CC..Hα-helixtrans-62-47.9178.5-65.3168.5000109.5A10 V12 A22 A23 L24 Q28 S29 Q31 C33 L419A10-I26 HydrophobicContact CB-CD1 4.08Å; A10-I26 HydrophobicContact CB-CG2 4.21Å; V12-I26 HydrophobicContact CG2-CD1 3.98Å; A22-I26 VanDerWaalsContact O-CG1 3.23Å; A22-I26 WeakPolarHBondContact O-CG1 3.5Å; A22-I26 PolarHBondContact O-N 3.26Å; A23-I26 PolarHBondContact O-N 2.99Å; L24-I26 VanDerWaalsContact C-N 3.34Å; L24-I26 PolarHBondContact O-N 3.26Å; I26-Q28 VanDerWaalsContact C-N 3.35Å; I26-Q28 PolarHBondContact O-N 2.95Å; I26-S29 PolarHBondContact O-N 2.75Å; I26-S29 VanDerWaalsContact O-N 3.12Å; I26-S29 PolarHBondContact O-OG 2.97Å; I26-Q31 HydrophobicContact CG2-CB 3.74Å; I26-Q31 PolarHBondContact O-N 3.16Å; I26-C33 HydrophobicContact CB-CB 4.32Å; I26-C33 HydrophobicContact CG2-CB 3.76Å; I26-L419 HydrophobicContact CB-CD2 4.42Å; I26-L419 HydrophobicContact CD1-CD2 3.99Å; I26-L419 HydrophobicContact CG1-CD2 3.79Å; I26-L419 HydrophobicContact CG2-CD2 3.82Å
27S97.3Very high97.9Very high21 Ų2117.3 Ų17.315%0.14711%0.112CC..Hα-helixtrans-63.6-40.2179.4-53.20000111.7A23 L24 S29 G30 T158A23-S27 WeakPolarHBondContact O-CB 3.35Å; A23-S27 PolarHBondContact O-N 2.77Å; A23-S27 PolarHBondContact O-OG 3.48Å; L24-S27 PolarHBondContact O-N 3.45Å; S27-S29 VanDerWaalsContact C-N 3.25Å; S27-S29 PolarHBondContact O-N 2.92Å; S27-G30 PolarHBondContact O-N 2.98Å; S27-T158 WeakPolarHBondContact CB-OG1 3.24Å; S27-T158 PolarHBondContact OG-OG1 2.95Å
28Q96.9Very high97.9Very high81 Ų8119 Ų1938%0.37912%0.119SC..Hα-helixtrans-65.1-26.7175.6-75.9177.2-31.400113.5L24 Q25 I26 G30 N156L24-Q28 HydrophobicContact CD1-CG 4.13Å; L24-Q28 WeakPolarHBondContact O-CB 3.15Å; L24-Q28 VanDerWaalsContact O-CG 3.27Å; L24-Q28 WeakPolarHBondContact O-CG 3.3Å; L24-Q28 PolarHBondContact O-N 3.12Å; Q25-Q28 PolarHBondContact O-N 3.49Å; I26-Q28 VanDerWaalsContact C-N 3.35Å; I26-Q28 PolarHBondContact O-N 2.95Å; Q28-G30 PolarHBondContact O-N 3.44Å; Q28-N156 HydrophobicContact CG-CB 4.36Å; Q28-N156 WeakPolarHBondContact CG-OD1 3.34Å; Q28-N156 PolarHBondContact NE2-OD1 3.49Å
29S95.5Very high97.9Very high48 Ų4820 Ų2034%0.33613%0.125SC..THydrogen-bonded Turntrans-77.3-1.8173.576.20000113.7Q25 I26 S27 Q31Q25-S29 PolarHBondContact O-N 3.42Å; I26-S29 PolarHBondContact O-N 2.75Å; I26-S29 VanDerWaalsContact O-N 3.12Å; I26-S29 PolarHBondContact O-OG 2.97Å; S27-S29 VanDerWaalsContact C-N 3.25Å; S27-S29 PolarHBondContact O-N 2.92Å; S29-Q31 VanDerWaalsContact C-N 3.34Å; S29-Q31 WeakPolarHBondContact OG-CG 3.49Å
30G95Very high97.9Very high62 Ų6223.7 Ų23.764%0.63914%0.141SC*.THydrogen-bonded Turntrans81.29.6-178.900000114.5S27 Q28S27-G30 PolarHBondContact O-N 2.98Å; Q28-G30 PolarHBondContact O-N 3.44Å
31Q95.4Very high97.9Very high42 Ų4223.7 Ų23.720%0.19614%0.141CC..  trans-84.6146.5173.3-61.2-62.5-79.600110.8D9 I26 S29 Q420D9-Q31 HydrophobicContact CB-CB 4.16Å; I26-Q31 HydrophobicContact CG2-CB 3.74Å; I26-Q31 PolarHBondContact O-N 3.16Å; S29-Q31 VanDerWaalsContact C-N 3.34Å; S29-Q31 WeakPolarHBondContact OG-CG 3.49Å; Q31-Q420 HydrophobicContact CG-CG 4.31Å
32T96.8Very high97.9Very high70 Ų7024.2 Ų24.243%0.42914%0.144SC..  trans-75.3129.6174.560.10000110.4D9 A10D9-T32 WeakPolarHBondContact CB-O 3.34Å; D9-T32 PolarHBondContact N-O 2.8Å; D9-T32 PolarHBondContact N-OG1 3.29Å; D9-T32 PolarHBondContact OD2-N 3.5Å; D9-T32 PolarHBondContact OD2-OG1 2.88Å; A10-T32 PolarHBondContact N-O 2.7Å; A10-T32 VanDerWaalsContact N-O 3.11Å
33C98Very high97.8Very high4 Ų432.7 Ų32.73%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-133.3122.7-175.8-1750000111.3A10 I26 T159A10-C33 WeakPolarHBondContact O-CA 3.4Å; I26-C33 HydrophobicContact CB-CB 4.32Å; I26-C33 HydrophobicContact CG2-CB 3.76Å; C33-T159 WeakPolarHBondContact O-CB 3.37Å; C33-T159 PolarHBondContact O-N 3.15Å
34A98.7Very high97.8Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans-92.7118.6165.700000109.9F8 A10 V11 V12 L36 F161 F193F8-A34 HydrophobicContact CD1-CB 3.99Å; F8-A34 HydrophobicContact CD2-CB 3.6Å; F8-A34 HydrophobicContact CE1-CB 4.05Å; F8-A34 HydrophobicContact CE2-CB 3.65Å; F8-A34 HydrophobicContact CG-CB 3.78Å; F8-A34 HydrophobicContact CZ-CB 3.89Å; A10-A34 PolarHBondContact O-N 2.9Å; V11-A34 CarbonylContact C-O 3.56Å; V11-A34 WeakPolarHBondContact CA-O 3.47Å; V11-A34 HydrophobicContact CG2-CB 4.1Å; V12-A34 PolarHBondContact N-O 2.84Å; A34-L36 HydrophobicContact CB-CD1 3.89Å; A34-F161 HydrophobicContact CB-CD2 3.96Å; A34-F161 HydrophobicContact CB-CE2 3.73Å; A34-F193 HydrophobicContact CB-CD1 4.18Å; A34-F193 HydrophobicContact CB-CE1 4.47Å
35L98.9Very high97.8Very high0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-101.6101.3174177.661.6000109.6V12 A15 M20 A23 T158 T159 I160 F161V12-L35 HydrophobicContact CB-CD1 3.83Å; V12-L35 HydrophobicContact CG1-CD1 3.66Å; V12-L35 CarbonylContact O-C 3.6Å; V12-L35 WeakPolarHBondContact O-CA 3.37Å; A15-L35 HydrophobicContact CB-CD1 4.1Å; A15-L35 HydrophobicContact CB-CD2 3.92Å; A15-L35 HydrophobicContact CB-CG 4.01Å; M20-L35 HydrophobicContact CG-CD2 3.85Å; A23-L35 HydrophobicContact CB-CB 4.2Å; A23-L35 HydrophobicContact CB-CD1 4.14Å; A23-L35 HydrophobicContact CB-CD2 4.11Å; A23-L35 HydrophobicContact CB-CG 4.38Å; L35-T158 HydrophobicContact CB-CG2 4.1Å; L35-T159 PolarHBondContact N-O 2.96Å; L35-I160 HydrophobicContact CD2-CG1 4.34Å; L35-F161 PolarHBondContact O-N 3.42Å
36L98.9Very high97.8Very high1 Ų134.8 Ų34.81%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-89.7140.8178.7-65.575000110.3V11 V12 G14 A34 F161 A182 F193V11-L36 HydrophobicContact CG1-CD1 3.67Å; V12-L36 PolarHBondContact O-N 3.08Å; G14-L36 WeakPolarHBondContact CA-O 3.3Å; G14-L36 PolarHBondContact N-O 3.27Å; A34-L36 HydrophobicContact CB-CD1 3.89Å; L36-F161 HydrophobicContact CG-CB 4.15Å; L36-A182 HydrophobicContact CD2-CB 3.6Å; L36-F193 HydrophobicContact CD1-CD1 4.1Å; L36-F193 HydrophobicContact CD1-CE1 4.25Å; L36-F193 HydrophobicContact CD2-CD1 4.31Å; L36-F193 HydrophobicContact CD2-CD2 3.93Å; L36-F193 HydrophobicContact CD2-CE1 4.26Å; L36-F193 HydrophobicContact CD2-CE2 3.9Å; L36-F193 HydrophobicContact CD2-CG 4.14Å; L36-F193 HydrophobicContact CD2-CZ 4.06Å; L36-F193 HydrophobicContact CG-CE1 4.34Å; L36-F193 HydrophobicContact CG-CZ 4.44Å
37S98.8Very high97.8Very high7 Ų736.5 Ų36.55%0.04920%0.199CC..EExtended strand (participates in β ladder)trans-150.1132174.9-176.70000111.1V39 F161 S162 E163 W164S37-V39 WeakPolarHBondContact CB-O 3.39Å; S37-V39 PolarHBondContact O-N 3.48Å; S37-V39 PolarHBondContact OG-N 3.44Å; S37-V39 PolarHBondContact OG-O 2.96Å; S37-F161 PolarHBondContact N-O 3.01Å; S37-S162 CarbonylContact O-C 3.6Å; S37-E163 CarbonylContact O-C 3.54Å; S37-E163 VanDerWaalsContact O-CA 3.29Å; S37-E163 WeakPolarHBondContact O-CA 3.43Å; S37-E163 PolarHBondContact O-N 3.16Å; S37-W164 CarbonylContact C-O 3.43Å; S37-W164 PolarHBondContact O-N 3.48Å
38K98.6Very high97.8Very high34 Ų3438.1 Ų38.115%0.14821%0.211CC..SBendtrans-70.4-11.5177.172.5177.3-174.4179.20114.1W164 Y165 I185 I217 T219 D221 E515K38-W164 WeakPolarHBondContact CA-O 3.33Å; K38-W164 PolarHBondContact N-O 2.83Å; K38-Y165 HydrophobicContact CB-CD2 3.96Å; K38-Y165 HydrophobicContact CD-CD2 3.93Å; K38-Y165 HydrophobicContact CD-CE2 4.02Å; K38-I185 HydrophobicContact CB-CD1 4.44Å; K38-I185 WeakPolarHBondContact O-CD1 3.38Å; K38-I217 WeakPolarHBondContact CE-O 3.39Å; K38-I217 PolarHBondContact NZ-O 3.29Å; K38-T219 PolarHBondContact NZ-OG1 3.11Å; K38-D221 WeakPolarHBondContact CD-OD2 3.27Å; K38-D221 WeakPolarHBondContact CE-OD2 3.3Å; K38-D221 IonicContact NZ-OD1 2.72Å; K38-D221 IonicContact NZ-OD2 3.92Å; K38-D221 PolarHBondContact NZ-OD2 2.63Å; K38-E515 IonicContact NZ-OE1 3.64Å; K38-E515 PolarHBondContact NZ-OE1 3.39Å
39V98.4Very high97.7Very high25 Ų2535.6 Ų35.615%0.15220%0.204CC..SBendtrans-128162.6171.2-66.20000110S37 R43 I217S37-V39 WeakPolarHBondContact CB-O 3.39Å; S37-V39 PolarHBondContact O-N 3.48Å; S37-V39 PolarHBondContact OG-N 3.44Å; S37-V39 PolarHBondContact OG-O 2.96Å; V39-R43 HydrophobicContact CB-CB 4.06Å; V39-R43 HydrophobicContact CG2-CB 4.05Å; V39-I217 HydrophobicContact CG1-CD1 4.05Å; V39-I217 HydrophobicContact CG1-CG2 3.81Å; V39-I217 HydrophobicContact CG2-CD1 3.85Å
40F98.6Very high97.5Very high78 Ų7834.5 Ų34.534%0.34219%0.193SC..  trans-54.2134.7164.9-174.1-95.7000110.7T42 R43 Y150F40-T42 VanDerWaalsContact C-N 3.32Å; F40-T42 VanDerWaalsContact CD1-OG1 3.29Å; F40-T42 WeakPolarHBondContact CD1-OG1 3.43Å; F40-T42 HydrophobicContact CE1-CG2 4.12Å; F40-T42 VanDerWaalsContact CE1-OG1 3.27Å; F40-T42 WeakPolarHBondContact CE1-OG1 2.96Å; F40-T42 PolarHBondContact O-N 3.47Å; F40-R43 HydrophobicContact CB-CG 4.16Å; F40-R43 WeakPolarHBondContact O-CA 3.41Å; F40-R43 VanDerWaalsContact O-CB 3.28Å; F40-R43 WeakPolarHBondContact O-CB 3.5Å; F40-R43 PolarHBondContact O-N 2.96Å; F40-Y150 HydrophobicContact CE1-CE1 4.42Å; F40-Y150 HydrophobicContact CE1-CE2 4.44Å; F40-Y150 HydrophobicContact CE2-CE2 4.47Å; F40-Y150 AromaticContact CZ-CE1 3.98Å; F40-Y150 HydrophobicContact CZ-CE1 3.98Å; F40-Y150 AromaticContact CZ-CE2 3.93Å; F40-Y150 HydrophobicContact CZ-CE2 3.93Å; F40-Y150 AromaticContact CZ-CZ 3.45Å; F40-Y150 VanDerWaalsContact CZ-CZ 3.45Å; F40-Y150 VanDerWaalsContact CZ-OH 3.26Å; F40-Y150 WeakPolarHBondContact CZ-OH 3.32Å
41P98.6Very high97.2Very high0 Ų032 Ų320%017%0.167CC..G310 helixtrans-48.9-42.8-167.4-33.936.4000116.1A15 M20 R43 S44 Y150 I160 S162A15-P41 HydrophobicContact CB-CB 3.75Å; A15-P41 HydrophobicContact CB-CG 3.85Å; M20-P41 HydrophobicContact CE-CB 4.49Å; M20-P41 HydrophobicContact SD-CB 3.86Å; P41-R43 PolarHBondContact O-N 2.89Å; P41-R43 VanDerWaalsContact O-N 3.14Å; P41-S44 VanDerWaalsContact O-CB 3.31Å; P41-S44 WeakPolarHBondContact O-CB 3.24Å; P41-S44 PolarHBondContact O-N 3.42Å; P41-S44 VanDerWaalsContact O-N 3.13Å; P41-S44 PolarHBondContact O-OG 3.25Å; P41-Y150 HydrophobicContact CB-CD2 3.79Å; P41-Y150 HydrophobicContact CB-CE2 4.24Å; P41-Y150 HydrophobicContact CG-CD2 4.05Å; P41-Y150 HydrophobicContact CG-CE2 4.04Å; P41-I160 HydrophobicContact CG-CG2 3.85Å; P41-S162 WeakPolarHBondContact CD-OG 3.46Å
42T98.5Very high97.2Very high12 Ų1230.2 Ų30.27%0.07416%0.16CC..G310 helixtrans-74.71-17964.40000114.3F40 Y150F40-T42 VanDerWaalsContact C-N 3.32Å; F40-T42 VanDerWaalsContact CD1-OG1 3.29Å; F40-T42 WeakPolarHBondContact CD1-OG1 3.43Å; F40-T42 HydrophobicContact CE1-CG2 4.12Å; F40-T42 VanDerWaalsContact CE1-OG1 3.27Å; F40-T42 WeakPolarHBondContact CE1-OG1 2.96Å; F40-T42 PolarHBondContact O-N 3.47Å; T42-Y150 HydrophobicContact CG2-CD1 4Å; T42-Y150 HydrophobicContact CG2-CG 3.87Å
43R98.4Very high97.3Very high179 Ų17926.9 Ų26.968%0.67514%0.139SC*.G310 helixtrans-95.8-2.3171.2-53.2-56.4-176.1-1750.9113.1V39 F40 P41V39-R43 HydrophobicContact CB-CB 4.06Å; V39-R43 HydrophobicContact CG2-CB 4.05Å; F40-R43 HydrophobicContact CB-CG 4.16Å; F40-R43 WeakPolarHBondContact O-CA 3.41Å; F40-R43 VanDerWaalsContact O-CB 3.28Å; F40-R43 WeakPolarHBondContact O-CB 3.5Å; F40-R43 PolarHBondContact O-N 2.96Å; P41-R43 PolarHBondContact O-N 2.89Å; P41-R43 VanDerWaalsContact O-N 3.14Å
44S98.6Very high97.3Very high10 Ų1026.7 Ų26.77%0.0714%0.138CC..SBendtrans-59.7147.2172.6-58.70000111.4A15 G16 P41 T46 V47A15-S44 VanDerWaalsContact C-OG 3.26Å; A15-S44 PolarHBondContact O-OG 3.2Å; G16-S44 PolarHBondContact N-OG 3.17Å; P41-S44 VanDerWaalsContact O-CB 3.31Å; P41-S44 WeakPolarHBondContact O-CB 3.24Å; P41-S44 PolarHBondContact O-N 3.42Å; P41-S44 VanDerWaalsContact O-N 3.13Å; P41-S44 PolarHBondContact O-OG 3.25Å; S44-T46 PolarHBondContact O-N 3.46Å; S44-V47 WeakPolarHBondContact O-CB 3.41Å; S44-V47 VanDerWaalsContact O-CG1 3.24Å; S44-V47 WeakPolarHBondContact O-CG1 3.47Å; S44-V47 PolarHBondContact O-N 2.99Å
45H98.5Very high97.3Very high35 Ų3526.7 Ų26.716%0.16214%0.138CC..G310 helixtrans-60.1-21.8-173.6-168.548.1000114.4V47 S48 T213 A215 N218H45-V47 PolarHBondContact O-N 3.22Å; H45-S48 WeakPolarHBondContact O-CB 3.35Å; H45-S48 PolarHBondContact O-N 3.15Å; H45-T213 PolarHBondContact CE1-O 2.9Å; H45-T213 VanDerWaalsContact CE1-O 3.29Å; H45-A215 HydrophobicContact CB-CB 4.26Å; H45-A215 PolarHBondContact ND1-N 3.03Å; H45-N218 VanDerWaalsContact CB-OD1 3.28Å; H45-N218 WeakPolarHBondContact CB-OD1 3.41Å; H45-N218 PolarHBondContact CD2-OD1 3.2Å
46T98.6Very high97.3Very high21 Ų2127.2 Ų27.213%0.12914%0.143CC..G310 helixtrans-49.5-31.8169.4-56.30000112.7G17 S44 S48 A49 G142 L145 L146 L405 L408G17-T46 PolarHBondContact N-OG1 2.9Å; G17-T46 VanDerWaalsContact N-OG1 3.11Å; S44-T46 PolarHBondContact O-N 3.46Å; T46-S48 PolarHBondContact O-N 2.9Å; T46-S48 VanDerWaalsContact O-N 3.15Å; T46-A49 PolarHBondContact O-N 3.02Å; T46-A49 VanDerWaalsContact O-N 3.12Å; T46-G142 CarbonylContact O-C 3.57Å; T46-G142 WeakPolarHBondContact O-CA 3.35Å; T46-L145 HydrophobicContact CG2-CD2 3.8Å; T46-L146 HydrophobicContact CG2-CB 4.39Å; T46-L146 HydrophobicContact CG2-CD1 3.92Å; T46-L405 HydrophobicContact CG2-CD2 3.98Å; T46-L408 HydrophobicContact CG2-CD1 3.94Å
47V97.5Very high97.2Very high36 Ų3628.8 Ų28.822%0.21815%0.151CC..G310 helixtrans-58.9-27.917878.40000112.4S44 H45 H143 L146S44-V47 WeakPolarHBondContact O-CB 3.41Å; S44-V47 VanDerWaalsContact O-CG1 3.24Å; S44-V47 WeakPolarHBondContact O-CG1 3.47Å; S44-V47 PolarHBondContact O-N 2.99Å; H45-V47 PolarHBondContact O-N 3.22Å; V47-H143 HydrophobicContact CG2-CB 4.13Å; V47-H143 PolarHBondContact O-N 3.15Å; V47-L146 HydrophobicContact CB-CD2 3.63Å; V47-L146 HydrophobicContact CG2-CD2 4.25Å
48S96.2Very high97.2Very high56 Ų5629.5 Ų29.539%0.39216%0.159SC..G310 helixtrans-85.4-4.7-176.9-54.60000113.4H45 T46 Q50H45-S48 WeakPolarHBondContact O-CB 3.35Å; H45-S48 PolarHBondContact O-N 3.15Å; T46-S48 PolarHBondContact O-N 2.9Å; T46-S48 VanDerWaalsContact O-N 3.15Å; S48-Q50 PolarHBondContact O-N 2.64Å
49A95.5Very high97.1Very high28 Ų2829.1 Ų29.123%0.23116%0.159CC..  trans-71132.3177.900000110.9T46 G142 L405T46-A49 PolarHBondContact O-N 3.02Å; T46-A49 VanDerWaalsContact O-N 3.12Å; A49-G142 VanDerWaalsContact O-CA 3.28Å; A49-G142 WeakPolarHBondContact O-CA 3.37Å; A49-G142 PolarHBondContact O-N 3.47Å; A49-L405 HydrophobicContact CB-CD1 3.88Å; A49-L405 HydrophobicContact CB-CD2 3.95Å; A49-L405 HydrophobicContact CB-CG 4.16Å
50Q91.8Very high97Very high25 Ų2531.1 Ų31.112%0.11717%0.171CC..  trans-109.5-62.9-169.2-66.9165.24.400112.3S48 G52 D139 T141 L252 T254S48-Q50 PolarHBondContact O-N 2.64Å; Q50-G52 PolarHBondContact O-N 2.73Å; Q50-D139 WeakPolarHBondContact CA-O 3.5Å; Q50-D139 WeakPolarHBondContact CB-O 3.4Å; Q50-D139 WeakPolarHBondContact CG-O 3.43Å; Q50-D139 CarbonylContact O-C 3.49Å; Q50-T141 PolarHBondContact O-N 3.29Å; Q50-T141 PolarHBondContact O-OG1 3.01Å; Q50-T141 VanDerWaalsContact O-OG1 3.04Å; Q50-L252 PolarHBondContact NE2-O 2.89Å; Q50-T254 VanDerWaalsContact OE1-CB 3.26Å
51G88.3Confident96.9Very high8 Ų829 Ų298%0.08216%0.162CC..SBendtrans-58.6-39.1-159.900000117T254G51-T254 VanDerWaalsContact CA-OG1 3.3Å; G51-T254 WeakPolarHBondContact CA-OG1 3.42Å; G51-T254 PolarHBondContact N-OG1 3.37Å
52G96Very high96.8Very high5 Ų537 Ų375%0.05220%0.2CC..  trans145.1-171.7178.900000114.2Q50 A135 T141 G402Q50-G52 PolarHBondContact O-N 2.73Å; G52-A135 CarbonylContact C-O 3.6Å; G52-A135 WeakPolarHBondContact CA-O 3.39Å; G52-T141 WeakPolarHBondContact CA-OG1 3.35Å; G52-G402 WeakPolarHBondContact O-CA 3.47Å
53I98.2Very high96.8Very high0 Ų037.7 Ų37.70%020%0.203CC..EExtended strand (participates in β ladder)trans-119.6118177.6-43.4-176.4000108.3V55 I96 F106 T134 A135 T141 L145 L405 L406I53-V55 PolarHBondContact O-N 2.69Å; I53-I96 HydrophobicContact CB-CD1 4.29Å; I53-I96 HydrophobicContact CD1-CD1 4.12Å; I53-I96 HydrophobicContact CG2-CD1 3.68Å; I53-F106 HydrophobicContact CD1-CZ 4.44Å; I53-T134 CarbonylContact O-C 3.58Å; I53-A135 PolarHBondContact N-O 3.09Å; I53-A135 PolarHBondContact O-N 3.25Å; I53-T141 HydrophobicContact CD1-CG2 4.18Å; I53-T141 HydrophobicContact CG1-CG2 3.78Å; I53-L145 HydrophobicContact CD1-CD1 3.45Å; I53-L145 VanDerWaalsContact CD1-CD1 3.45Å; I53-L405 HydrophobicContact CB-CB 4.3Å; I53-L405 HydrophobicContact CD1-CB 4.07Å; I53-L405 HydrophobicContact CD1-CD1 4.31Å; I53-L405 HydrophobicContact CG1-CB 3.67Å; I53-L405 HydrophobicContact CG1-CD1 3.73Å; I53-L405 HydrophobicContact CG1-CG 4.36Å; I53-L405 HydrophobicContact CG2-CB 4.07Å; I53-L406 HydrophobicContact CG2-CB 3.79Å; I53-L406 HydrophobicContact CG2-CD1 4.22Å
54T97.9Very high96.7Very high0 Ų031.8 Ų31.80%019%0.185CC..EExtended strand (participates in β ladder)trans-78.3121.3-177.6-61.30000110.2H68 Q122 R133 T134 G401 G402 N403 L406T54-H68 VanDerWaalsContact CG2-NE2 3.33Å; T54-H68 WeakPolarHBondContact CG2-NE2 3.47Å; T54-H68 PolarHBondContact O-CE1 3.04Å; T54-H68 VanDerWaalsContact O-CE1 3.3Å; T54-Q122 VanDerWaalsContact CG2-NE2 3.33Å; T54-Q122 PolarHBondContact OG1-NE2 3.49Å; T54-R133 HydrophobicContact CG2-CG 3.8Å; T54-T134 PolarHBondContact OG1-OG1 3.35Å; T54-G401 PolarHBondContact OG1-O 2.89Å; T54-G401 VanDerWaalsContact OG1-O 3.09Å; T54-G402 PolarHBondContact N-O 3.33Å; T54-G402 VanDerWaalsContact N-O 3.09Å; T54-G402 VanDerWaalsContact OG1-CA 3.31Å; T54-G402 WeakPolarHBondContact OG1-CA 3.46Å; T54-N403 WeakPolarHBondContact CB-OD1 3.31Å; T54-L406 VanDerWaalsContact O-CD2 3.29Å; T54-L406 WeakPolarHBondContact O-CD2 3.49Å
55V98.4Very high96.7Very high0 Ų033.9 Ų33.90%019%0.191CC..  trans-157.5136.1-177.356.50000111.4I53 L57 G92 P93 I96 Q116 R133 A135I53-V55 PolarHBondContact O-N 2.69Å; V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 HydrophobicContact CG1-CD1 3.91Å; V55-L57 HydrophobicContact CG1-CG 3.78Å; V55-L57 HydrophobicContact CG2-CD2 4.21Å; V55-L57 HydrophobicContact CG2-CG 4.14Å; V55-L57 PolarHBondContact O-N 2.74Å; V55-G92 VanDerWaalsContact CG2-C 3.49Å; V55-P93 HydrophobicContact CG2-CB 4.3Å; V55-P93 HydrophobicContact CG2-CG 3.93Å; V55-I96 HydrophobicContact CB-CG1 3.92Å; V55-I96 HydrophobicContact CG1-CB 4.26Å; V55-I96 HydrophobicContact CG1-CG1 3.79Å; V55-I96 HydrophobicContact CG1-CG2 4.17Å; V55-I96 HydrophobicContact CG2-CB 4.37Å; V55-I96 HydrophobicContact CG2-CG1 3.88Å; V55-Q116 PolarHBondContact O-NE2 3.45Å; V55-R133 PolarHBondContact N-O 3.13Å; V55-A135 HydrophobicContact CG1-CB 4.1Å
56A98.2Very high96.7Very high12 Ų1234.7 Ų34.710%0.09920%0.195CC..  trans-79.471.8179.300000112.4D63 W65A56-D63 WeakPolarHBondContact CA-OD2 3.47Å; A56-D63 HydrophobicContact CB-CB 4.4Å; A56-W65 HydrophobicContact CB-CB 4.41Å
57L98.2Very high96.7Very high33 Ų3335 Ų3517%0.17319%0.194CC..  trans-80.2-23.8174.4-65.1173.4000113.3V55 P93 I96 L97 I114V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 HydrophobicContact CG1-CD1 3.91Å; V55-L57 HydrophobicContact CG1-CG 3.78Å; V55-L57 HydrophobicContact CG2-CD2 4.21Å; V55-L57 HydrophobicContact CG2-CG 4.14Å; V55-L57 PolarHBondContact O-N 2.74Å; L57-P93 HydrophobicContact CD2-CB 4.18Å; L57-I96 HydrophobicContact CD1-CG2 4.17Å; L57-L97 HydrophobicContact CD2-CD2 4.4Å; L57-L97 HydrophobicContact CD2-CG 4.27Å; L57-I114 HydrophobicContact CD1-CB 4.22Å; L57-I114 HydrophobicContact CD1-CD1 3.9Å; L57-I114 HydrophobicContact CD1-CG2 4.24Å
58G97.6Very high96.7Very high22 Ų2233.2 Ų33.223%0.22718%0.183CC..  trans7225.1-178.800000114.7H61G58-H61 CarbonylContact C-O 3.1Å; G58-H61 VanDerWaalsContact C-O 3.26Å; G58-H61 WeakPolarHBondContact CA-O 3.49Å
59N97.5Very high96.8Very high27 Ų2730.6 Ų30.614%0.14416%0.164CC..SBendtrans-80.1-36.9-176-69.6-22.6000113L109 R113 I114 Q116N59-L109 HydrophobicContact CB-CD1 4.06Å; N59-R113 HydrophobicContact CB-CB 4.33Å; N59-R113 PolarHBondContact O-NH2 2.79Å; N59-I114 WeakPolarHBondContact CB-O 3.47Å; N59-I114 PolarHBondContact ND2-N 3.33Å; N59-I114 PolarHBondContact ND2-O 3.31Å; N59-Q116 VanDerWaalsContact N-OE1 3.15Å
60T95.6Very high96.9Very high66 Ų6630.8 Ų30.841%0.40516%0.16SC..SBendtrans-89.8-30.5-178.7-55.30000112.7Q116 A132T60-Q116 PolarHBondContact OG1-O 3.48Å; T60-Q116 VanDerWaalsContact OG1-O 3.13Å; T60-A132 HydrophobicContact CG2-CB 3.93Å
61H96.1Very high97.2Very high34 Ų3429.8 Ų29.816%0.15716%0.155CC..SBendtrans-156.4164.4175.36079.1000108.8G58 D63 A132G58-H61 CarbonylContact C-O 3.1Å; G58-H61 VanDerWaalsContact C-O 3.26Å; G58-H61 WeakPolarHBondContact CA-O 3.49Å; H61-D63 PolarHBondContact O-N 2.87Å; H61-A132 PolarHBondContact NE2-N 2.85Å
62E96.9Very high97.7Very high169 Ų16929.5 Ų29.579%0.7915%0.152SC*.  trans-55.4128.4169.4-175.8179.3-175.100109.6W67E62-W67 WeakPolarHBondContact O-CZ3 3.05Å
63D97.7Very high97.8Very high26 Ų2629.3 Ų29.314%0.13915%0.149CC..  trans-141.7159.5-176.3-158.111.8000110.4A56 H61 R133A56-D63 WeakPolarHBondContact CA-OD2 3.47Å; A56-D63 HydrophobicContact CB-CB 4.4Å; H61-D63 PolarHBondContact O-N 2.87Å; D63-R133 IonicContact OD1-CZ 3.17Å; D63-R133 IonicContact OD1-NE 2.76Å; D63-R133 PolarHBondContact OD1-NE 3.27Å; D63-R133 IonicContact OD1-NH2 3.79Å; D63-R133 PolarHBondContact OD1-NH2 3.22Å; D63-R133 VanDerWaalsContact OD2-CB 3.27Å; D63-R133 WeakPolarHBondContact OD2-CB 3.39Å; D63-R133 IonicContact OD2-CZ 3.6Å; D63-R133 IonicContact OD2-NE 3.83Å; D63-R133 PolarHBondContact OD2-NE 3.27Å; D63-R133 IonicContact OD2-NH2 2.84Å
64N97.1Very high97.8Very high54 Ų5431.1 Ų31.129%0.28916%0.157SC..  trans-139.6137.4-179.9-173.6-32.5000109.3E66 W67 H68N64-E66 PolarHBondContact O-N 2.89Å; N64-E66 WeakPolarHBondContact OD1-CB 3.38Å; N64-E66 PolarHBondContact OD1-N 3.36Å; N64-W67 HydrophobicContact CB-CD2 3.97Å; N64-W67 HydrophobicContact CB-CE3 4.47Å; N64-W67 HydrophobicContact CB-CG 4.14Å; N64-W67 HydrophobicContact CB-CZ2 4.46Å; N64-W67 WeakPolarHBondContact O-CB 3.3Å; N64-W67 PolarHBondContact O-N 2.9Å; N64-H68 PolarHBondContact O-N 2.88Å
65W98.2Very high97.8Very high55 Ų5531.1 Ų31.121%0.20816%0.157CC..Hα-helixtrans-58.1-28176.368.7-94.6000112.6A56 W67 H68 M69 E86 C89 K90 L577A56-W65 HydrophobicContact CB-CB 4.41Å; W65-W67 VanDerWaalsContact C-N 3.29Å; W65-W67 PolarHBondContact O-N 3.09Å; W65-H68 WeakPolarHBondContact O-CB 3.3Å; W65-H68 PolarHBondContact O-N 3.2Å; W65-M69 HydrophobicContact CE3-CB 4.43Å; W65-M69 HydrophobicContact CZ3-CB 4.48Å; W65-M69 HydrophobicContact CZ3-SD 3.87Å; W65-M69 WeakPolarHBondContact O-CB 3.32Å; W65-M69 PolarHBondContact O-N 3.42Å; W65-E86 HydrophobicContact CH2-CG 4.11Å; W65-E86 HydrophobicContact CZ3-CG 3.89Å; W65-C89 WeakPolarHBondContact CB-O 3.26Å; W65-C89 HydrophobicContact CE3-CB 4.34Å; W65-K90 HydrophobicContact CD2-CB 3.96Å; W65-K90 HydrophobicContact CD2-CG 4.21Å; W65-K90 HydrophobicContact CE3-CB 3.95Å; W65-K90 HydrophobicContact CG-CB 4.43Å; W65-K90 HydrophobicContact CZ2-CG 4.41Å; W65-K90 HydrophobicContact CZ3-CB 4.32Å; W65-L577 HydrophobicContact CH2-CB 4.35Å; W65-L577 HydrophobicContact CH2-CD1 4.16Å; W65-L577 HydrophobicContact CZ2-CD1 4.19Å
66E98.3Very high97.8Very high51 Ų5131.1 Ų31.124%0.23816%0.157CC..Hα-helixtrans-66.2-30.3174.9-70.1-169.8-114.400112.9N64 M69 Y70 F126 R578N64-E66 PolarHBondContact O-N 2.89Å; N64-E66 WeakPolarHBondContact OD1-CB 3.38Å; N64-E66 PolarHBondContact OD1-N 3.36Å; E66-M69 PolarHBondContact O-N 2.9Å; E66-Y70 PolarHBondContact O-N 3.07Å; E66-F126 HydrophobicContact CB-CE1 4.15Å; E66-F126 HydrophobicContact CB-CZ 4.26Å; E66-R578 IonicContact OE2-CZ 3.57Å; E66-R578 IonicContact OE2-NH1 3.49Å; E66-R578 PolarHBondContact OE2-NH1 3.48Å
67W98.4Very high97.8Very high27 Ų2731 Ų3110%0.10216%0.155CC..Hα-helixtrans-72.3-40.2174.3-56.9-12.2000110.4E62 N64 W65 M69 Y70 D71 K124 N125 F126E62-W67 WeakPolarHBondContact O-CZ3 3.05Å; N64-W67 HydrophobicContact CB-CD2 3.97Å; N64-W67 HydrophobicContact CB-CE3 4.47Å; N64-W67 HydrophobicContact CB-CG 4.14Å; N64-W67 HydrophobicContact CB-CZ2 4.46Å; N64-W67 WeakPolarHBondContact O-CB 3.3Å; N64-W67 PolarHBondContact O-N 2.9Å; W65-W67 VanDerWaalsContact C-N 3.29Å; W65-W67 PolarHBondContact O-N 3.09Å; W67-M69 VanDerWaalsContact C-N 3.34Å; W67-Y70 PolarHBondContact O-N 2.91Å; W67-D71 PolarHBondContact O-N 2.98Å; W67-K124 HydrophobicContact CE3-CB 4.07Å; W67-K124 HydrophobicContact CZ3-CB 3.99Å; W67-K124 HydrophobicContact CZ3-CG 4.43Å; W67-N125 VanDerWaalsContact CD2-N 3.31Å; W67-N125 VanDerWaalsContact CH2-OD1 3.3Å; W67-N125 WeakPolarHBondContact CH2-OD1 3.48Å; W67-N125 WeakPolarHBondContact CZ2-OD1 3.48Å; W67-F126 AromaticContact CD1-CE1 3.79Å; W67-F126 AromaticContact CD1-CE2 3.78Å; W67-F126 AromaticContact CD1-CZ 3.63Å; W67-F126 AromaticContact NE1-CE2 3.68Å; W67-F126 AromaticContact NE1-CZ 3.88Å
68H98.6Very high97.8Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-63.2-39.9171.9-177.1-163.5000111.9T54 N64 W65 D71 T72 C89 N403T54-H68 VanDerWaalsContact CG2-NE2 3.33Å; T54-H68 WeakPolarHBondContact CG2-NE2 3.47Å; T54-H68 PolarHBondContact O-CE1 3.04Å; T54-H68 VanDerWaalsContact O-CE1 3.3Å; N64-H68 PolarHBondContact O-N 2.88Å; W65-H68 WeakPolarHBondContact O-CB 3.3Å; W65-H68 PolarHBondContact O-N 3.2Å; H68-D71 PolarHBondContact O-N 2.64Å; H68-T72 PolarHBondContact CD2-OG1 3.46Å; H68-T72 WeakPolarHBondContact O-CB 3.38Å; H68-T72 PolarHBondContact O-N 2.98Å; H68-T72 PolarHBondContact O-OG1 3.04Å; H68-C89 HydrophobicContact CB-CB 4.45Å; H68-C89 VanDerWaalsContact CG-SG 3.56Å; H68-N403 PolarHBondContact NE2-OD1 3.28Å
69M98.5Very high97.8Very high0 Ų028.6 Ų28.60%014%0.137CC..Hα-helixtrans-60-49173.6-177.3-170.7173.400110.7W65 E66 W67 D71 T72 V73 Q82 I85 E86 C89 P575 R578 F581W65-M69 HydrophobicContact CE3-CB 4.43Å; W65-M69 HydrophobicContact CZ3-CB 4.48Å; W65-M69 HydrophobicContact CZ3-SD 3.87Å; W65-M69 WeakPolarHBondContact O-CB 3.32Å; W65-M69 PolarHBondContact O-N 3.42Å; E66-M69 PolarHBondContact O-N 2.9Å; W67-M69 VanDerWaalsContact C-N 3.34Å; M69-D71 PolarHBondContact O-N 3.23Å; M69-T72 PolarHBondContact O-N 2.9Å; M69-T72 VanDerWaalsContact O-N 3.15Å; M69-V73 HydrophobicContact CG-CG2 4.47Å; M69-V73 WeakPolarHBondContact O-CG2 3.27Å; M69-V73 PolarHBondContact O-N 3.44Å; M69-Q82 HydrophobicContact CE-CB 4.26Å; M69-I85 HydrophobicContact CB-CG2 4.42Å; M69-I85 HydrophobicContact CG-CG2 3.85Å; M69-E86 HydrophobicContact CE-CB 3.85Å; M69-E86 HydrophobicContact SD-CB 3.98Å; M69-E86 HydrophobicContact SD-CG 4.31Å; M69-C89 HydrophobicContact CB-CB 4.13Å; M69-P575 HydrophobicContact CE-CB 3.8Å; M69-P575 HydrophobicContact CE-CG 4.04Å; M69-R578 HydrophobicContact CE-CG 4.44Å; M69-R578 HydrophobicContact SD-CG 4.32Å; M69-F581 HydrophobicContact CB-CE2 4.46Å; M69-F581 HydrophobicContact CE-CD2 4.32Å; M69-F581 HydrophobicContact CE-CE2 4.09Å; M69-F581 HydrophobicContact CG-CE2 3.95Å; M69-F581 HydrophobicContact SD-CE2 3.93Å
70Y98.3Very high97.8Very high33 Ų3327.3 Ų27.313%0.12913%0.13CC..Hα-helixtrans-57.2-49.3177.2171.4-97000112.7E66 W67 T72 V73 K74 F126 F581E66-Y70 PolarHBondContact O-N 3.07Å; W67-Y70 PolarHBondContact O-N 2.91Å; Y70-T72 PolarHBondContact O-N 2.9Å; Y70-V73 PolarHBondContact O-N 2.86Å; Y70-K74 HydrophobicContact CE1-CD 4.35Å; Y70-K74 WeakPolarHBondContact O-CB 3.42Å; Y70-K74 PolarHBondContact O-N 2.83Å; Y70-F126 HydrophobicContact CD1-CB 4.2Å; Y70-F126 HydrophobicContact CD2-CB 4.36Å; Y70-F126 HydrophobicContact CD2-CD1 4.25Å; Y70-F126 HydrophobicContact CE1-CB 4.36Å; Y70-F126 WeakPolarHBondContact CE1-O 3.4Å; Y70-F126 HydrophobicContact CG-CB 4.17Å; Y70-F126 AromaticContact CG-CD1 3.95Å; Y70-F126 HydrophobicContact CG-CD1 3.95Å; Y70-F126 VanDerWaalsContact CZ-O 3.27Å; Y70-F126 PolarHBondContact OH-O 2.71Å; Y70-F581 AromaticContact CD2-CD1 3.63Å; Y70-F581 HydrophobicContact CD2-CD1 3.63Å; Y70-F581 AromaticContact CD2-CE1 3.6Å; Y70-F581 HydrophobicContact CD2-CE1 3.6Å; Y70-F581 HydrophobicContact CD2-CG 4.16Å; Y70-F581 HydrophobicContact CD2-CZ 4.12Å; Y70-F581 HydrophobicContact CE2-CD1 4.35Å; Y70-F581 HydrophobicContact CG-CE1 4.26Å; Y70-F581 HydrophobicContact CG-CZ 4.4Å
71D97.9Very high98Very high4 Ų424.4 Ų24.42%0.02111%0.112CC..Hα-helixtrans-59.3-39.7178.3-71.7-32.6000110.8W67 H68 M69 G75 Q122 S123 R133 L400W67-D71 PolarHBondContact O-N 2.98Å; H68-D71 PolarHBondContact O-N 2.64Å; M69-D71 PolarHBondContact O-N 3.23Å; D71-G75 WeakPolarHBondContact O-CA 3.31Å; D71-G75 PolarHBondContact O-N 3.33Å; D71-Q122 WeakPolarHBondContact OD2-CA 3.49Å; D71-S123 VanDerWaalsContact CG-N 3.34Å; D71-S123 PolarHBondContact OD1-N 3.28Å; D71-S123 PolarHBondContact OD1-OG 3Å; D71-S123 PolarHBondContact OD2-N 3.01Å; D71-S123 VanDerWaalsContact OD2-O 3.1Å; D71-R133 IonicContact OD2-CZ 3.77Å; D71-R133 IonicContact OD2-NH1 2.64Å; D71-R133 PolarHBondContact OD2-NH1 3.1Å; D71-L400 HydrophobicContact CB-CD1 3.93Å; D71-L400 WeakPolarHBondContact O-CD1 3.48Å
72T98.4Very high98.1Very high2 Ų222.8 Ų22.81%0.01211%0.105CC..Hα-helixtrans-69.1-43.1180-56.60000111.7H68 M69 Y70 G75 S76 I85 M88 V394 N403H68-T72 PolarHBondContact CD2-OG1 3.46Å; H68-T72 WeakPolarHBondContact O-CB 3.38Å; H68-T72 PolarHBondContact O-N 2.98Å; H68-T72 PolarHBondContact O-OG1 3.04Å; M69-T72 PolarHBondContact O-N 2.9Å; M69-T72 VanDerWaalsContact O-N 3.15Å; Y70-T72 PolarHBondContact O-N 2.9Å; T72-G75 PolarHBondContact O-N 3.4Å; T72-S76 WeakPolarHBondContact O-CB 3.45Å; T72-S76 PolarHBondContact O-N 3.36Å; T72-S76 PolarHBondContact O-OG 3.31Å; T72-I85 HydrophobicContact CG2-CB 4.48Å; T72-I85 HydrophobicContact CG2-CD1 4.09Å; T72-I85 HydrophobicContact CG2-CG1 4.04Å; T72-I85 HydrophobicContact CG2-CG2 3.59Å; T72-M88 HydrophobicContact CG2-CE 3.93Å; T72-V394 WeakPolarHBondContact CG2-O 3.42Å; T72-N403 WeakPolarHBondContact CG2-ND2 3.37Å; T72-N403 PolarHBondContact OG1-ND2 2.99Å
73V98.4Very high98.2Very high0 Ų016.7 Ų16.70%08%0.077CC..Hα-helixtrans-65.3-43.9175.4174.90000111.8M69 Y70 G75 S76 Y78 Q82 I85 F581M69-V73 HydrophobicContact CG-CG2 4.47Å; M69-V73 WeakPolarHBondContact O-CG2 3.27Å; M69-V73 PolarHBondContact O-N 3.44Å; Y70-V73 PolarHBondContact O-N 2.86Å; V73-G75 VanDerWaalsContact C-N 3.29Å; V73-G75 PolarHBondContact O-N 2.93Å; V73-S76 PolarHBondContact O-OG 3.32Å; V73-Y78 HydrophobicContact CG1-CD1 3.78Å; V73-Y78 HydrophobicContact CG1-CE1 4.12Å; V73-Y78 PolarHBondContact O-N 3.26Å; V73-Q82 HydrophobicContact CG1-CG 4.31Å; V73-Q82 HydrophobicContact CG2-CG 3.91Å; V73-I85 HydrophobicContact CG2-CB 4.43Å; V73-I85 HydrophobicContact CG2-CD1 3.71Å; V73-I85 HydrophobicContact CG2-CG2 4.14Å; V73-F581 HydrophobicContact CB-CD2 4.29Å; V73-F581 HydrophobicContact CG1-CB 4.02Å; V73-F581 HydrophobicContact CG2-CD2 4.09Å
74K97.5Very high98.2Very high38 Ų3815.5 Ų15.517%0.1657%0.071CC..Hα-helixtrans-63.1-41.1172.5-179.6-175.1173.8-173.10110.5Y70 S76 D77 R586 T587Y70-K74 HydrophobicContact CE1-CD 4.35Å; Y70-K74 WeakPolarHBondContact O-CB 3.42Å; Y70-K74 PolarHBondContact O-N 2.83Å; K74-S76 VanDerWaalsContact C-N 3.35Å; K74-S76 PolarHBondContact O-N 3.32Å; K74-D77 PolarHBondContact O-N 2.88Å; K74-R586 HydrophobicContact CG-CG 4.35Å; K74-R586 WeakPolarHBondContact O-CD 3.42Å; K74-R586 PolarHBondContact O-NE 3.2Å; K74-T587 WeakPolarHBondContact CE-O 3.5Å; K74-T587 PolarHBondContact NZ-O 3.3Å
75G97.2Very high98.3Very high0 Ų013 Ų130%06%0.058CC..Hα-helixtrans-62.2-40.7-178.900000112.7D71 T72 V73 D77 N398 R586D71-G75 WeakPolarHBondContact O-CA 3.31Å; D71-G75 PolarHBondContact O-N 3.33Å; T72-G75 PolarHBondContact O-N 3.4Å; V73-G75 VanDerWaalsContact C-N 3.29Å; V73-G75 PolarHBondContact O-N 2.93Å; G75-D77 PolarHBondContact O-N 3.07Å; G75-N398 CarbonylContact C-O 3.39Å; G75-N398 VanDerWaalsContact C-O 3.24Å; G75-N398 WeakPolarHBondContact O-CB 3.25Å; G75-N398 PolarHBondContact O-ND2 3.16Å; G75-R586 PolarHBondContact O-NH2 3.23Å
76S98.3Very high98.3Very high1 Ų110.8 Ų10.81%0.0075%0.05CC..THydrogen-bonded Turntrans-73.3-2177.772.90000114.1T72 V73 K74 Y78 G80 H395 A397T72-S76 WeakPolarHBondContact O-CB 3.45Å; T72-S76 PolarHBondContact O-N 3.36Å; T72-S76 PolarHBondContact O-OG 3.31Å; V73-S76 PolarHBondContact O-OG 3.32Å; K74-S76 VanDerWaalsContact C-N 3.35Å; K74-S76 PolarHBondContact O-N 3.32Å; S76-Y78 PolarHBondContact O-N 3.34Å; S76-G80 PolarHBondContact OG-N 3.41Å; S76-H395 VanDerWaalsContact CA-O 3.27Å; S76-H395 WeakPolarHBondContact CA-O 3.22Å; S76-H395 VanDerWaalsContact CB-C 3.48Å; S76-H395 WeakPolarHBondContact CB-O 3.27Å; S76-A397 WeakPolarHBondContact O-CB 3.29Å; S76-A397 PolarHBondContact O-N 3.39Å
77D98.1Very high98.3Very high10 Ų1010.9 Ų10.95%0.0535%0.048CC..THydrogen-bonded Turntrans53.641.7-174.4-151.12.6000112.3K74 G75 I79 A397 R537 G538 R548 R586K74-D77 PolarHBondContact O-N 2.88Å; G75-D77 PolarHBondContact O-N 3.07Å; D77-I79 PolarHBondContact O-N 3Å; D77-I79 VanDerWaalsContact O-N 3.13Å; D77-A397 HydrophobicContact CB-CB 4.14Å; D77-R537 HydrophobicContact CB-CG 3.77Å; D77-R537 PolarHBondContact O-NH1 2.87Å; D77-R537 WeakPolarHBondContact OD2-CG 3.39Å; D77-G538 PolarHBondContact OD2-N 3.37Å; D77-R548 VanDerWaalsContact OD1-CD 3.24Å; D77-R548 WeakPolarHBondContact OD1-CD 3.4Å; D77-R548 IonicContact OD1-CZ 3.56Å; D77-R548 IonicContact OD1-NE 2.68Å; D77-R548 IonicContact OD1-NH1 3.53Å; D77-R548 PolarHBondContact OD1-NH1 2.81Å; D77-R586 WeakPolarHBondContact OD1-CD 3.4Å
78Y98.2Very high98.3Very high4 Ų49.6 Ų9.62%0.0164%0.043CC..THydrogen-bonded Turntrans65.78.1171.7-53.2-83.6000116.6V73 S76 R548 L554 P582 P583 K584V73-Y78 HydrophobicContact CG1-CD1 3.78Å; V73-Y78 HydrophobicContact CG1-CE1 4.12Å; V73-Y78 PolarHBondContact O-N 3.26Å; S76-Y78 PolarHBondContact O-N 3.34Å; Y78-R548 VanDerWaalsContact CD2-NH1 3.34Å; Y78-L554 WeakPolarHBondContact O-CD1 3.22Å; Y78-P582 VanDerWaalsContact CE1-O 3.24Å; Y78-P582 WeakPolarHBondContact CE1-O 3.38Å; Y78-P583 HydrophobicContact CD1-CB 4.36Å; Y78-P583 HydrophobicContact CD2-CB 4.25Å; Y78-P583 HydrophobicContact CG-CB 4.02Å; Y78-P583 HydrophobicContact CG-CG 4.3Å; Y78-K584 WeakPolarHBondContact CE2-O 3.3Å; Y78-K584 VanDerWaalsContact CZ-N 3.34Å; Y78-K584 PolarHBondContact OH-N 3Å
79I98.4Very high98.3Very high0 Ų09.6 Ų9.60%04%0.043CC..  trans-10426.8168.564.7155.2000112.1D77 M238 S393 G396 A397 R537 L554 H556 V571D77-I79 PolarHBondContact O-N 3Å; D77-I79 VanDerWaalsContact O-N 3.13Å; I79-M238 HydrophobicContact CD1-CE 3.83Å; I79-S393 PolarHBondContact O-OG 3.11Å; I79-G396 VanDerWaalsContact O-CA 3.32Å; I79-G396 WeakPolarHBondContact O-CA 3.39Å; I79-A397 HydrophobicContact CD1-CB 3.73Å; I79-A397 HydrophobicContact CG1-CB 3.81Å; I79-R537 VanDerWaalsContact CG2-CD 3.45Å; I79-L554 HydrophobicContact CG2-CD1 4.15Å; I79-H556 PolarHBondContact O-CE1 3.37Å; I79-V571 HydrophobicContact CB-CG2 4.08Å; I79-V571 HydrophobicContact CG2-CG2 4.17Å
80G98.6Very high98.3Very high0 Ų014.7 Ų14.70%07%0.066CC..SBendtrans-100.4134.2168.500000110.3S76 Q82 S393S76-G80 PolarHBondContact OG-N 3.41Å; G80-Q82 PolarHBondContact O-N 2.93Å; G80-Q82 VanDerWaalsContact O-N 3.17Å; G80-S393 CarbonylContact C-O 3.59Å; G80-S393 WeakPolarHBondContact CA-O 3.45Å
81D98.6Very high98.3Very high5 Ų513.9 Ų13.93%0.0276%0.064CC..  trans-64111.6-178.7-75.4-29.5000109.9D83 A84 I85 S393 H556 R569 N572D81-D83 VanDerWaalsContact C-N 3.34Å; D81-D83 PolarHBondContact O-N 2.82Å; D81-A84 HydrophobicContact CB-CB 4.16Å; D81-A84 WeakPolarHBondContact O-CB 3.45Å; D81-A84 PolarHBondContact O-N 3.24Å; D81-I85 WeakPolarHBondContact O-CG1 3.38Å; D81-I85 PolarHBondContact O-N 2.82Å; D81-S393 PolarHBondContact N-O 3Å; D81-H556 IonicContact OD1-CE1 3.45Å; D81-H556 IonicContact OD1-NE2 2.9Å; D81-H556 PolarHBondContact OD1-NE2 3.15Å; D81-H556 IonicContact OD2-NE2 3.79Å; D81-R569 IonicContact OD2-NH1 3.29Å; D81-R569 PolarHBondContact OD2-NH1 3.27Å; D81-N572 HydrophobicContact CB-CB 4Å; D81-N572 WeakPolarHBondContact OD1-CB 3.21Å; D81-N572 PolarHBondContact OD1-N 3.38Å
82Q98.6Very high98.3Very high0 Ų013.7 Ų13.70%06%0.063CC..Hα-helixtrans-72.7-25.6-166.8-64.2-158.935.500113.3M69 V73 G80 E86 N572 M573 P575 F581M69-Q82 HydrophobicContact CE-CB 4.26Å; V73-Q82 HydrophobicContact CG1-CG 4.31Å; V73-Q82 HydrophobicContact CG2-CG 3.91Å; G80-Q82 PolarHBondContact O-N 2.93Å; G80-Q82 VanDerWaalsContact O-N 3.17Å; Q82-E86 VanDerWaalsContact O-CB 3.23Å; Q82-E86 WeakPolarHBondContact O-CB 3.48Å; Q82-E86 PolarHBondContact O-N 2.93Å; Q82-N572 PolarHBondContact N-O 3.31Å; Q82-M573 HydrophobicContact CG-SD 4.2Å; Q82-M573 VanDerWaalsContact NE2-CE 3.29Å; Q82-M573 PolarHBondContact NE2-SD 2.96Å; Q82-P575 HydrophobicContact CB-CB 4.38Å; Q82-P575 HydrophobicContact CB-CG 4.04Å; Q82-F581 PolarHBondContact NE2-O 2.87Å
83D98.1Very high98.4Very high40 Ų4015 Ų1521%0.2147%0.072CC..Hα-helixtrans-66.9-40.1171.268.2-35.3000111.6D81 Y87 N572D81-D83 VanDerWaalsContact C-N 3.34Å; D81-D83 PolarHBondContact O-N 2.82Å; D83-Y87 PolarHBondContact O-N 3.21Å; D83-N572 WeakPolarHBondContact OD1-CB 3.35Å; D83-N572 PolarHBondContact OD1-ND2 2.86Å; D83-N572 PolarHBondContact OD2-ND2 3.38Å; D83-N572 VanDerWaalsContact OD2-ND2 3.08Å
84A98.6Very high98.3Very high2 Ų220 Ų202%0.01710%0.095CC..Hα-helixtrans-69-40.9174.600000111.9D81 Y87 M88 V364 V392 V394D81-A84 HydrophobicContact CB-CB 4.16Å; D81-A84 WeakPolarHBondContact O-CB 3.45Å; D81-A84 PolarHBondContact O-N 3.24Å; A84-Y87 PolarHBondContact O-N 2.87Å; A84-M88 WeakPolarHBondContact O-CB 3.47Å; A84-M88 PolarHBondContact O-N 3.45Å; A84-V364 HydrophobicContact CB-CG2 3.99Å; A84-V392 HydrophobicContact CB-CG1 3.64Å; A84-V394 HydrophobicContact CB-CG1 3.72Å
85I98.8Very high98.3Very high0 Ų018.2 Ų18.20%09%0.088CC..Hα-helixtrans-65.6-42.3175.6-62.9168.3000110.5M69 T72 V73 D81 Y87 M88 C89 V394M69-I85 HydrophobicContact CB-CG2 4.42Å; M69-I85 HydrophobicContact CG-CG2 3.85Å; T72-I85 HydrophobicContact CG2-CB 4.48Å; T72-I85 HydrophobicContact CG2-CD1 4.09Å; T72-I85 HydrophobicContact CG2-CG1 4.04Å; T72-I85 HydrophobicContact CG2-CG2 3.59Å; V73-I85 HydrophobicContact CG2-CB 4.43Å; V73-I85 HydrophobicContact CG2-CD1 3.71Å; V73-I85 HydrophobicContact CG2-CG2 4.14Å; D81-I85 WeakPolarHBondContact O-CG1 3.38Å; D81-I85 PolarHBondContact O-N 2.82Å; I85-Y87 PolarHBondContact O-N 2.88Å; I85-M88 PolarHBondContact O-N 3.33Å; I85-C89 WeakPolarHBondContact O-CB 3.31Å; I85-C89 PolarHBondContact O-N 3.06Å; I85-C89 PolarHBondContact O-SG 3Å; I85-V394 HydrophobicContact CG1-CB 4.01Å; I85-V394 HydrophobicContact CG1-CG1 4.22Å
86E98.7Very high98.4Very high9 Ų918.2 Ų18.24%0.0429%0.088CC..Hα-helixtrans-56.5-49.8173.8-179.4-179.7-101.900110.6W65 M69 Q82 M88 C89 K90 P575 K576 L577W65-E86 HydrophobicContact CH2-CG 4.11Å; W65-E86 HydrophobicContact CZ3-CG 3.89Å; M69-E86 HydrophobicContact CE-CB 3.85Å; M69-E86 HydrophobicContact SD-CB 3.98Å; M69-E86 HydrophobicContact SD-CG 4.31Å; Q82-E86 VanDerWaalsContact O-CB 3.23Å; Q82-E86 WeakPolarHBondContact O-CB 3.48Å; Q82-E86 PolarHBondContact O-N 2.93Å; E86-M88 PolarHBondContact O-N 3.42Å; E86-C89 PolarHBondContact O-N 3.03Å; E86-K90 WeakPolarHBondContact O-CB 3.21Å; E86-K90 PolarHBondContact O-N 2.92Å; E86-P575 HydrophobicContact CB-CB 4.25Å; E86-P575 WeakPolarHBondContact OE1-CB 3.47Å; E86-K576 PolarHBondContact OE1-N 3.04Å; E86-K576 WeakPolarHBondContact OE2-CA 3.32Å; E86-K576 WeakPolarHBondContact OE2-CB 3.38Å; E86-K576 PolarHBondContact OE2-N 2.67Å; E86-L577 WeakPolarHBondContact OE1-CA 3.35Å; E86-L577 VanDerWaalsContact OE1-CB 3.3Å; E86-L577 WeakPolarHBondContact OE1-CB 3.28Å; E86-L577 PolarHBondContact OE1-N 2.67Å; E86-L577 PolarHBondContact OE2-N 3.06Å
87Y98.6Very high98.4Very high53 Ų5322 Ų2221%0.20811%0.107CC..Hα-helixtrans-58.8-48.2177.3-174.9-90.3000111.9D83 A84 I85 T91 V364 V410 F411 A414D83-Y87 PolarHBondContact O-N 3.21Å; A84-Y87 PolarHBondContact O-N 2.87Å; I85-Y87 PolarHBondContact O-N 2.88Å; Y87-T91 VanDerWaalsContact O-CB 3.24Å; Y87-T91 WeakPolarHBondContact O-CB 3.43Å; Y87-T91 PolarHBondContact O-N 3.3Å; Y87-T91 PolarHBondContact O-OG1 2.92Å; Y87-V364 HydrophobicContact CD1-CG1 3.5Å; Y87-V364 VanDerWaalsContact CD1-CG1 3.5Å; Y87-V364 HydrophobicContact CD2-CG1 3.64Å; Y87-V364 HydrophobicContact CE1-CG1 3.75Å; Y87-V364 HydrophobicContact CE2-CG1 3.87Å; Y87-V364 HydrophobicContact CG-CG1 3.44Å; Y87-V364 VanDerWaalsContact CG-CG1 3.44Å; Y87-V410 HydrophobicContact CD1-CG1 3.76Å; Y87-V410 HydrophobicContact CE1-CG1 3.55Å; Y87-F411 HydrophobicContact CD1-CE1 4.05Å; Y87-A414 HydrophobicContact CE1-CB 3.96Å; Y87-A414 WeakPolarHBondContact OH-CB 3.3Å
88M98.8Very high98.4Very high0 Ų023.8 Ų23.80%012%0.115CC..Hα-helixtrans-59.3-50.9-179.5-175.4-176.56500111.9T72 A84 I85 E86 G92 V394 L406 D407 F411T72-M88 HydrophobicContact CG2-CE 3.93Å; A84-M88 WeakPolarHBondContact O-CB 3.47Å; A84-M88 PolarHBondContact O-N 3.45Å; I85-M88 PolarHBondContact O-N 3.33Å; E86-M88 PolarHBondContact O-N 3.42Å; M88-G92 WeakPolarHBondContact O-CA 3.23Å; M88-G92 PolarHBondContact O-N 2.72Å; M88-V394 HydrophobicContact CB-CG1 4.26Å; M88-V394 HydrophobicContact CE-CB 4.01Å; M88-V394 HydrophobicContact CE-CG2 4.3Å; M88-V394 HydrophobicContact SD-CB 4Å; M88-V394 HydrophobicContact SD-CG1 4.27Å; M88-V394 HydrophobicContact SD-CG2 3.79Å; M88-L406 HydrophobicContact CG-CD2 3.7Å; M88-L406 HydrophobicContact CG-CG 3.99Å; M88-L406 HydrophobicContact SD-CD2 4.26Å; M88-L406 HydrophobicContact SD-CG 4.49Å; M88-D407 HydrophobicContact SD-CB 4.09Å; M88-F411 HydrophobicContact CB-CE2 4.06Å; M88-F411 HydrophobicContact CB-CZ 4.02Å; M88-F411 HydrophobicContact CG-CE2 4.19Å; M88-F411 HydrophobicContact SD-CE2 4.27Å
89C98.7Very high98.3Very high0 Ų023.6 Ų23.60%012%0.115CC..Hα-helixtrans-70.9-40.3-175.9-69.80000112W65 H68 M69 I85 E86 P93W65-C89 WeakPolarHBondContact CB-O 3.26Å; W65-C89 HydrophobicContact CE3-CB 4.34Å; H68-C89 HydrophobicContact CB-CB 4.45Å; H68-C89 VanDerWaalsContact CG-SG 3.56Å; M69-C89 HydrophobicContact CB-CB 4.13Å; I85-C89 WeakPolarHBondContact O-CB 3.31Å; I85-C89 PolarHBondContact O-N 3.06Å; I85-C89 PolarHBondContact O-SG 3Å; E86-C89 PolarHBondContact O-N 3.03Å; C89-P93 WeakPolarHBondContact O-CD 3.04Å
90K98.4Very high98.3Very high107 Ų10725.7 Ų25.747%0.46512%0.124SC..Hα-helixtrans-69.9-44.1-179.8-172.1-156.4-178.1-164.90112.6W65 E86 G92 P93 L577W65-K90 HydrophobicContact CD2-CB 3.96Å; W65-K90 HydrophobicContact CD2-CG 4.21Å; W65-K90 HydrophobicContact CE3-CB 3.95Å; W65-K90 HydrophobicContact CG-CB 4.43Å; W65-K90 HydrophobicContact CZ2-CG 4.41Å; W65-K90 HydrophobicContact CZ3-CB 4.32Å; E86-K90 WeakPolarHBondContact O-CB 3.21Å; E86-K90 PolarHBondContact O-N 2.92Å; K90-G92 VanDerWaalsContact C-N 3.33Å; K90-P93 WeakPolarHBondContact O-CD 3.34Å; K90-L577 HydrophobicContact CD-CD1 3.52Å; K90-L577 VanDerWaalsContact CE-CD1 3.48Å; K90-L577 HydrophobicContact CG-CD1 4.47Å
91T98Very high98.3Very high17 Ų1733 Ų3310%0.10416%0.158CC..Hα-helixtrans-80.2-18.9-178.9-59.40000111.9Y87 E94 A95 V410Y87-T91 VanDerWaalsContact O-CB 3.24Å; Y87-T91 WeakPolarHBondContact O-CB 3.43Å; Y87-T91 PolarHBondContact O-N 3.3Å; Y87-T91 PolarHBondContact O-OG1 2.92Å; T91-E94 WeakPolarHBondContact O-CB 3.28Å; T91-E94 PolarHBondContact O-N 2.78Å; T91-E94 VanDerWaalsContact O-N 3.16Å; T91-A95 PolarHBondContact O-N 2.83Å; T91-A95 VanDerWaalsContact O-N 3.16Å; T91-V410 HydrophobicContact CG2-CG1 4.45Å
92G98.3Very high98.3Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-50.4-50.5-17700000115.4V55 M88 K90 E94 A95 I96V55-G92 VanDerWaalsContact CG2-C 3.49Å; M88-G92 WeakPolarHBondContact O-CA 3.23Å; M88-G92 PolarHBondContact O-N 2.72Å; K90-G92 VanDerWaalsContact C-N 3.33Å; G92-E94 VanDerWaalsContact C-N 3.32Å; G92-E94 PolarHBondContact O-N 2.96Å; G92-A95 PolarHBondContact O-N 2.74Å; G92-A95 VanDerWaalsContact O-N 3.16Å; G92-I96 WeakPolarHBondContact O-CG1 3.42Å; G92-I96 PolarHBondContact O-N 3.23Å
93P98.4Very high98.2Very high29 Ų2936.3 Ų36.319%0.18819%0.187CC..Hα-helixtrans-54.1-44.5177.9-29.636.9000113.7V55 L57 C89 K90 I96 L97V55-P93 HydrophobicContact CG2-CB 4.3Å; V55-P93 HydrophobicContact CG2-CG 3.93Å; L57-P93 HydrophobicContact CD2-CB 4.18Å; C89-P93 WeakPolarHBondContact O-CD 3.04Å; K90-P93 WeakPolarHBondContact O-CD 3.34Å; P93-I96 PolarHBondContact O-N 3.48Å; P93-L97 VanDerWaalsContact O-CG 3.29Å; P93-L97 WeakPolarHBondContact O-CG 3.45Å; P93-L97 PolarHBondContact O-N 3.07Å
94E98Very high98.2Very high105 Ų10534.5 Ų34.549%0.49118%0.177SC..Hα-helixtrans-61.2-47.8177-173.8-166.316400111T91 G92 I96 L97 E98 R413T91-E94 WeakPolarHBondContact O-CB 3.28Å; T91-E94 PolarHBondContact O-N 2.78Å; T91-E94 VanDerWaalsContact O-N 3.16Å; G92-E94 VanDerWaalsContact C-N 3.32Å; G92-E94 PolarHBondContact O-N 2.96Å; E94-I96 VanDerWaalsContact C-N 3.32Å; E94-I96 PolarHBondContact O-N 2.81Å; E94-L97 PolarHBondContact O-N 2.81Å; E94-E98 WeakPolarHBondContact O-CB 3.43Å; E94-E98 PolarHBondContact O-N 2.87Å; E94-R413 IonicContact OE1-CZ 3.77Å; E94-R413 IonicContact OE1-NH1 2.95Å; E94-R413 PolarHBondContact OE1-NH1 3.5Å; E94-R413 IonicContact OE1-NH2 3.44Å; E94-R413 PolarHBondContact OE1-NH2 2.99Å; E94-R413 IonicContact OE2-NH1 3.27Å
95A97.5Very high98.2Very high1 Ų138.4 Ų38.41%0.00820%0.203CC..Hα-helixtrans-63.2-36.4-179.200000112.7T91 G92 L99 V409 V410T91-A95 PolarHBondContact O-N 2.83Å; T91-A95 VanDerWaalsContact O-N 3.16Å; G92-A95 PolarHBondContact O-N 2.74Å; G92-A95 VanDerWaalsContact O-N 3.16Å; A95-L99 WeakPolarHBondContact O-CG 3.1Å; A95-L99 PolarHBondContact O-N 3.33Å; A95-L99 VanDerWaalsContact O-N 3.12Å; A95-V409 HydrophobicContact CB-CG2 4.44Å; A95-V410 HydrophobicContact CB-CG2 4.04Å
96I98.1Very high98.1Very high0 Ų038.7 Ų38.70%020%0.204CC..Hα-helixtrans-74.3-38.6178.8-61.8-51.2000112.1I53 V55 L57 G92 P93 E94 E98 L99 E100 F106 I114 L406 V409I53-I96 HydrophobicContact CB-CD1 4.29Å; I53-I96 HydrophobicContact CD1-CD1 4.12Å; I53-I96 HydrophobicContact CG2-CD1 3.68Å; V55-I96 HydrophobicContact CB-CG1 3.92Å; V55-I96 HydrophobicContact CG1-CB 4.26Å; V55-I96 HydrophobicContact CG1-CG1 3.79Å; V55-I96 HydrophobicContact CG1-CG2 4.17Å; V55-I96 HydrophobicContact CG2-CB 4.37Å; V55-I96 HydrophobicContact CG2-CG1 3.88Å; L57-I96 HydrophobicContact CD1-CG2 4.17Å; G92-I96 WeakPolarHBondContact O-CG1 3.42Å; G92-I96 PolarHBondContact O-N 3.23Å; P93-I96 PolarHBondContact O-N 3.48Å; E94-I96 VanDerWaalsContact C-N 3.32Å; E94-I96 PolarHBondContact O-N 2.81Å; I96-E98 VanDerWaalsContact C-N 3.31Å; I96-L99 HydrophobicContact CD1-CD1 4Å; I96-L99 PolarHBondContact O-N 3.08Å; I96-E100 PolarHBondContact O-N 3.44Å; I96-F106 HydrophobicContact CG2-CE2 3.85Å; I96-F106 HydrophobicContact CG2-CZ 3.77Å; I96-I114 HydrophobicContact CG2-CD1 4.37Å; I96-L406 HydrophobicContact CD1-CD1 4.12Å; I96-L406 HydrophobicContact CG1-CD1 4.18Å; I96-V409 HydrophobicContact CD1-CG2 4.27Å
97L98.3Very high98Very high81 Ų8139.8 Ų39.842%0.42421%0.213SC..Hα-helixtrans-65-37.8173.3-68.2172.7000111.3L57 P93 E94 L99 E100 H101L57-L97 HydrophobicContact CD2-CD2 4.4Å; L57-L97 HydrophobicContact CD2-CG 4.27Å; P93-L97 VanDerWaalsContact O-CG 3.29Å; P93-L97 WeakPolarHBondContact O-CG 3.45Å; P93-L97 PolarHBondContact O-N 3.07Å; E94-L97 PolarHBondContact O-N 2.81Å; L97-L99 PolarHBondContact O-N 2.99Å; L97-E100 PolarHBondContact O-N 2.79Å; L97-H101 VanDerWaalsContact O-CG 3.31Å; L97-H101 PolarHBondContact O-N 3.23Å; L97-H101 PolarHBondContact O-ND1 3.03Å
98E97.8Very high97.9Very high46 Ų4642.5 Ų42.522%0.21522%0.223CC..Hα-helixtrans-59.1-44.9172.3179.6179.2-141.400111.9R21 E94 I96 E100 H101 M102 R413R21-E98 IonicContact CZ-OE2 2.81Å; R21-E98 IonicContact NE-OE2 2.8Å; R21-E98 IonicContact NH2-OE1 2.93Å; R21-E98 PolarHBondContact NH2-OE1 2.94Å; R21-E98 VanDerWaalsContact NH2-OE1 3.12Å; R21-E98 IonicContact NH2-OE2 3.59Å; R21-E98 PolarHBondContact NH2-OE2 2.87Å; E94-E98 WeakPolarHBondContact O-CB 3.43Å; E94-E98 PolarHBondContact O-N 2.87Å; I96-E98 VanDerWaalsContact C-N 3.31Å; E98-E100 VanDerWaalsContact C-N 3.35Å; E98-E100 PolarHBondContact O-N 2.98Å; E98-H101 PolarHBondContact O-N 2.84Å; E98-M102 HydrophobicContact CG-CE 3.56Å; E98-M102 HydrophobicContact CG-SD 4.39Å; E98-M102 VanDerWaalsContact O-CG 3.3Å; E98-M102 WeakPolarHBondContact O-CG 3.47Å; E98-M102 PolarHBondContact O-N 2.89Å; E98-R413 IonicContact OE1-NE 3.24Å; E98-R413 WeakPolarHBondContact OE2-CD 2.97Å; E98-R413 IonicContact OE2-NE 2.71Å; E98-R413 PolarHBondContact OE2-NE 3.12Å
99L97.9Very high97.8Very high1 Ų144.7 Ų44.71%0.00523%0.234CC..Hα-helixtrans-64.9-36.9176.4-70.2169.4000112.9A95 I96 L97 M102 G103 L104 L145 L149 V409A95-L99 WeakPolarHBondContact O-CG 3.1Å; A95-L99 PolarHBondContact O-N 3.33Å; A95-L99 VanDerWaalsContact O-N 3.12Å; I96-L99 HydrophobicContact CD1-CD1 4Å; I96-L99 PolarHBondContact O-N 3.08Å; L97-L99 PolarHBondContact O-N 2.99Å; L99-M102 HydrophobicContact CD2-SD 4.17Å; L99-M102 WeakPolarHBondContact O-CB 3.35Å; L99-M102 PolarHBondContact O-N 3.27Å; L99-G103 PolarHBondContact O-N 2.9Å; L99-L104 HydrophobicContact CB-CB 4.29Å; L99-L104 HydrophobicContact CB-CD1 4.04Å; L99-L104 HydrophobicContact CD1-CD1 4.31Å; L99-L104 VanDerWaalsContact O-CB 3.22Å; L99-L104 WeakPolarHBondContact O-CB 3.35Å; L99-L104 PolarHBondContact O-N 3.44Å; L99-L145 HydrophobicContact CD1-CD1 4.35Å; L99-L149 HydrophobicContact CD2-CD2 3.92Å; L99-L149 HydrophobicContact CD2-CG 4.42Å; L99-V409 HydrophobicContact CD1-CB 4.1Å; L99-V409 HydrophobicContact CD1-CG1 3.85Å; L99-V409 HydrophobicContact CD1-CG2 4.03Å
100E97.9Very high97.7Very high44 Ų4453.4 Ų53.421%0.20628%0.28CS..Hα-helixtrans-62.4-46174.9-165.2-85.717900110.6I96 L97 E98 M102 G103 F106 R108 I114I96-E100 PolarHBondContact O-N 3.44Å; L97-E100 PolarHBondContact O-N 2.79Å; E98-E100 VanDerWaalsContact C-N 3.35Å; E98-E100 PolarHBondContact O-N 2.98Å; E100-M102 VanDerWaalsContact C-N 3.26Å; E100-M102 PolarHBondContact O-N 3.36Å; E100-G103 WeakPolarHBondContact O-CA 3.49Å; E100-G103 PolarHBondContact O-N 3.04Å; E100-F106 HydrophobicContact CB-CD2 4.19Å; E100-F106 HydrophobicContact CB-CE2 4.28Å; E100-F106 HydrophobicContact CG-CD2 4.15Å; E100-R108 IonicContact OE1-CZ 3.41Å; E100-R108 VanDerWaalsContact OE1-CZ 3.3Å; E100-R108 IonicContact OE1-NH1 2.78Å; E100-R108 PolarHBondContact OE1-NH1 3.49Å; E100-R108 IonicContact OE1-NH2 2.8Å; E100-R108 PolarHBondContact OE1-NH2 2.88Å; E100-I114 HydrophobicContact CB-CD1 4.22Å; E100-I114 HydrophobicContact CG-CD1 4.05Å; E100-I114 HydrophobicContact CG-CG1 4.37Å
101H97.9Very high97.6Very high154 Ų15452.5 Ų52.571%0.71328%0.281SS*.Hα-helixtrans-66.3-25.9175-63.5152.9000113.4L97 E98 G103L97-H101 VanDerWaalsContact O-CG 3.31Å; L97-H101 PolarHBondContact O-N 3.23Å; L97-H101 PolarHBondContact O-ND1 3.03Å; E98-H101 PolarHBondContact O-N 2.84Å; H101-G103 PolarHBondContact O-N 2.78Å
102M98Very high97.5Very high24 Ų2453.7 Ų53.712%0.11830%0.296CS..THydrogen-bonded Turntrans-72.2-8.1169.2-73174.9-176.400113.1L24 E98 L99 E100 T148 Q152L24-M102 HydrophobicContact CD2-CE 3.84Å; L24-M102 HydrophobicContact CD2-SD 4.08Å; E98-M102 HydrophobicContact CG-CE 3.56Å; E98-M102 HydrophobicContact CG-SD 4.39Å; E98-M102 VanDerWaalsContact O-CG 3.3Å; E98-M102 WeakPolarHBondContact O-CG 3.47Å; E98-M102 PolarHBondContact O-N 2.89Å; L99-M102 HydrophobicContact CD2-SD 4.17Å; L99-M102 WeakPolarHBondContact O-CB 3.35Å; L99-M102 PolarHBondContact O-N 3.27Å; E100-M102 VanDerWaalsContact C-N 3.26Å; E100-M102 PolarHBondContact O-N 3.36Å; M102-T148 HydrophobicContact CB-CG2 3.93Å; M102-Q152 HydrophobicContact CB-CG 3.85Å; M102-Q152 HydrophobicContact CG-CG 3.94Å; M102-Q152 PolarHBondContact O-NE2 2.97Å; M102-Q152 HydrophobicContact SD-CG 4.04Å
103G97.5Very high97.5Very high50 Ų5059.1 Ų59.152%0.51532%0.317SS..THydrogen-bonded Turntrans98.822.217700000114.5L99 E100 H101 P105L99-G103 PolarHBondContact O-N 2.9Å; E100-G103 WeakPolarHBondContact O-CA 3.49Å; E100-G103 PolarHBondContact O-N 3.04Å; H101-G103 PolarHBondContact O-N 2.78Å; G103-P105 VanDerWaalsContact O-CD 3.26Å; G103-P105 WeakPolarHBondContact O-CD 3.43Å
104L98.2Very high97.5Very high1 Ų158 Ų581%0.00531%0.309CS..  trans-67.6117.3172.4-164.8164.1000109.6L99 F106 A144 L145 T148L99-L104 HydrophobicContact CB-CB 4.29Å; L99-L104 HydrophobicContact CB-CD1 4.04Å; L99-L104 HydrophobicContact CD1-CD1 4.31Å; L99-L104 VanDerWaalsContact O-CB 3.22Å; L99-L104 WeakPolarHBondContact O-CB 3.35Å; L99-L104 PolarHBondContact O-N 3.44Å; L104-F106 VanDerWaalsContact C-N 3.29Å; L104-F106 HydrophobicContact CB-CE2 4.25Å; L104-F106 HydrophobicContact CD1-CE2 4.2Å; L104-F106 HydrophobicContact CD1-CZ 3.93Å; L104-F106 HydrophobicContact CD2-CD1 3.74Å; L104-F106 HydrophobicContact CD2-CD2 3.71Å; L104-F106 HydrophobicContact CD2-CE1 3.65Å; L104-F106 HydrophobicContact CD2-CE2 3.62Å; L104-F106 HydrophobicContact CD2-CG 3.76Å; L104-F106 HydrophobicContact CD2-CZ 3.58Å; L104-F106 HydrophobicContact CG-CE2 4.23Å; L104-F106 HydrophobicContact CG-CZ 4.29Å; L104-F106 PolarHBondContact O-N 2.86Å; L104-A144 HydrophobicContact CD2-CB 4.29Å; L104-L145 HydrophobicContact CD1-CB 3.87Å; L104-L145 HydrophobicContact CD1-CD1 4.44Å; L104-L145 HydrophobicContact CD1-CG 4.27Å; L104-T148 WeakPolarHBondContact CA-OG1 3.42Å; L104-T148 HydrophobicContact CB-CG2 4.23Å
105P97.7Very high97.5Very high84 Ų8454.1 Ų54.155%0.54529%0.29SS..  trans-80.969.4-17234.5-38.5000112.3G103 A137 A144G103-P105 VanDerWaalsContact O-CD 3.26Å; G103-P105 WeakPolarHBondContact O-CD 3.43Å; P105-A137 WeakPolarHBondContact O-CB 3.31Å; P105-A144 HydrophobicContact CG-CB 4.07Å
106F98Very high97.4Very high7 Ų754.3 Ų54.33%0.03129%0.291CS..  trans-58.6144.7171.3-72-68.3000111.6I53 I96 E100 L104 R108 I114 A135 T141I53-F106 HydrophobicContact CD1-CZ 4.44Å; I96-F106 HydrophobicContact CG2-CE2 3.85Å; I96-F106 HydrophobicContact CG2-CZ 3.77Å; E100-F106 HydrophobicContact CB-CD2 4.19Å; E100-F106 HydrophobicContact CB-CE2 4.28Å; E100-F106 HydrophobicContact CG-CD2 4.15Å; L104-F106 VanDerWaalsContact C-N 3.29Å; L104-F106 HydrophobicContact CB-CE2 4.25Å; L104-F106 HydrophobicContact CD1-CE2 4.2Å; L104-F106 HydrophobicContact CD1-CZ 3.93Å; L104-F106 HydrophobicContact CD2-CD1 3.74Å; L104-F106 HydrophobicContact CD2-CD2 3.71Å; L104-F106 HydrophobicContact CD2-CE1 3.65Å; L104-F106 HydrophobicContact CD2-CE2 3.62Å; L104-F106 HydrophobicContact CD2-CG 3.76Å; L104-F106 HydrophobicContact CD2-CZ 3.58Å; L104-F106 HydrophobicContact CG-CE2 4.23Å; L104-F106 HydrophobicContact CG-CZ 4.29Å; L104-F106 PolarHBondContact O-N 2.86Å; F106-R108 PolarHBondContact O-NE 3.44Å; F106-I114 HydrophobicContact CB-CB 4.41Å; F106-I114 HydrophobicContact CB-CG1 4.05Å; F106-I114 HydrophobicContact CB-CG2 3.85Å; F106-I114 HydrophobicContact CD1-CG2 4.09Å; F106-I114 HydrophobicContact CD2-CD1 3.74Å; F106-I114 HydrophobicContact CD2-CG1 4.03Å; F106-I114 HydrophobicContact CD2-CG2 4.34Å; F106-I114 HydrophobicContact CE2-CD1 4.15Å; F106-I114 HydrophobicContact CG-CD1 4.32Å; F106-I114 HydrophobicContact CG-CG1 4.2Å; F106-I114 HydrophobicContact CG-CG2 3.85Å; F106-A135 HydrophobicContact CD1-CB 4.2Å; F106-A135 HydrophobicContact CE1-CB 3.93Å; F106-T141 HydrophobicContact CE1-CG2 4.45Å
107S96.5Very high97.3Very high32 Ų3254.4 Ų54.422%0.22429%0.291CS..  trans-60.4151.9166.5-63.20000110Y115 A136 A138S107-Y115 WeakPolarHBondContact O-CB 3.29Å; S107-Y115 PolarHBondContact O-N 3.36Å; S107-A136 WeakPolarHBondContact CB-O 3.48Å; S107-A136 PolarHBondContact N-O 3.32Å; S107-A136 PolarHBondContact OG-O 3.46Å; S107-A138 PolarHBondContact OG-N 2.83Å
108R97Very high97.1Very high110 Ų11052.2 Ų52.242%0.41528%0.282SS..BIsolated β-bridgetrans-115.1150.5-172.8-56.7-60.3179.4152.7-5112.4E100 F106 G112 R113E100-R108 IonicContact OE1-CZ 3.41Å; E100-R108 VanDerWaalsContact OE1-CZ 3.3Å; E100-R108 IonicContact OE1-NH1 2.78Å; E100-R108 PolarHBondContact OE1-NH1 3.49Å; E100-R108 IonicContact OE1-NH2 2.8Å; E100-R108 PolarHBondContact OE1-NH2 2.88Å; F106-R108 PolarHBondContact O-NE 3.44Å; R108-G112 WeakPolarHBondContact CD-O 3.22Å; R108-G112 PolarHBondContact NH1-O 3.34Å; R108-G112 VanDerWaalsContact NH1-O 3.12Å; R108-R113 CarbonylContact C-O 3.51Å; R108-R113 VanDerWaalsContact CA-O 3.32Å; R108-R113 WeakPolarHBondContact CA-O 3.4Å
109L96.1Very high96.9Very high45 Ų4550.2 Ų50.224%0.23627%0.272CS..  trans-78.9169158.9-63.3173.3000109.6N59 D111 G112 R113 Y115N59-L109 HydrophobicContact CB-CD1 4.06Å; L109-D111 WeakPolarHBondContact CB-OD1 3.38Å; L109-D111 PolarHBondContact O-N 3.15Å; L109-D111 VanDerWaalsContact O-N 3.15Å; L109-G112 PolarHBondContact O-N 3.41Å; L109-R113 HydrophobicContact CD1-CB 4.47Å; L109-R113 PolarHBondContact N-O 3.41Å; L109-Y115 HydrophobicContact CD2-CD2 3.92Å
110D95.8Very high96.6Very high183 Ų18350.2 Ų50.298%0.97927%0.273SS*.THydrogen-bonded Turntrans-61.5-23.3179.5-63.3-21.5000113.1G112D110-G112 VanDerWaalsContact C-N 3.33Å
111D96.3Very high96.3Very high89 Ų8948.7 Ų48.748%0.47627%0.269SS..THydrogen-bonded Turntrans-87.93.5176.367.211.9000114.2L109 R113L109-D111 WeakPolarHBondContact CB-OD1 3.38Å; L109-D111 PolarHBondContact O-N 3.15Å; L109-D111 VanDerWaalsContact O-N 3.15Å; D111-R113 VanDerWaalsContact C-N 3.33Å; D111-R113 PolarHBondContact O-N 3.45Å; D111-R113 VanDerWaalsContact OD1-CB 3.28Å; D111-R113 WeakPolarHBondContact OD1-CB 3.46Å; D111-R113 WeakPolarHBondContact OD1-CG 3.31Å; D111-R113 PolarHBondContact OD1-N 3.11Å; D111-R113 IonicContact OD1-NE 3.97Å; D111-R113 IonicContact OD2-CZ 2.71Å; D111-R113 IonicContact OD2-NE 3.74Å; D111-R113 PolarHBondContact OD2-NE 2.93Å; D111-R113 IonicContact OD2-NH2 2.85Å; D111-R113 PolarHBondContact OD2-NH2 3.47Å
112G96.8Very high96.2Very high41 Ų4141.5 Ų41.542%0.42324%0.235SC..SBendtrans82.9-2.4179.400000115.5R108 L109 D110R108-G112 WeakPolarHBondContact CD-O 3.22Å; R108-G112 PolarHBondContact NH1-O 3.34Å; R108-G112 VanDerWaalsContact NH1-O 3.12Å; L109-G112 PolarHBondContact O-N 3.41Å; D110-G112 VanDerWaalsContact C-N 3.33Å
113R97.5Very high96.1Very high114 Ų11440.9 Ų40.943%0.4323%0.233SC..SBendtrans-74.7163.6173.3-65-175.2-69.6162-1.2111.5N59 R108 L109 D111 Y115N59-R113 HydrophobicContact CB-CB 4.33Å; N59-R113 PolarHBondContact O-NH2 2.79Å; R108-R113 CarbonylContact C-O 3.51Å; R108-R113 VanDerWaalsContact CA-O 3.32Å; R108-R113 WeakPolarHBondContact CA-O 3.4Å; L109-R113 HydrophobicContact CD1-CB 4.47Å; L109-R113 PolarHBondContact N-O 3.41Å; D111-R113 VanDerWaalsContact C-N 3.33Å; D111-R113 PolarHBondContact O-N 3.45Å; D111-R113 VanDerWaalsContact OD1-CB 3.28Å; D111-R113 WeakPolarHBondContact OD1-CB 3.46Å; D111-R113 WeakPolarHBondContact OD1-CG 3.31Å; D111-R113 PolarHBondContact OD1-N 3.11Å; D111-R113 IonicContact OD1-NE 3.97Å; D111-R113 IonicContact OD2-CZ 2.71Å; D111-R113 IonicContact OD2-NE 3.74Å; D111-R113 PolarHBondContact OD2-NE 2.93Å; D111-R113 IonicContact OD2-NH2 2.85Å; D111-R113 PolarHBondContact OD2-NH2 3.47Å; R113-Y115 PolarHBondContact O-N 3.21Å
114I98.4Very high96.1Very high6 Ų640.5 Ų40.53%0.03122%0.218CC..BIsolated β-bridgetrans-64.3124.4179.1-63.8167.2000109.6L57 N59 I96 E100 F106 A135L57-I114 HydrophobicContact CD1-CB 4.22Å; L57-I114 HydrophobicContact CD1-CD1 3.9Å; L57-I114 HydrophobicContact CD1-CG2 4.24Å; N59-I114 WeakPolarHBondContact CB-O 3.47Å; N59-I114 PolarHBondContact ND2-N 3.33Å; N59-I114 PolarHBondContact ND2-O 3.31Å; I96-I114 HydrophobicContact CG2-CD1 4.37Å; E100-I114 HydrophobicContact CB-CD1 4.22Å; E100-I114 HydrophobicContact CG-CD1 4.05Å; E100-I114 HydrophobicContact CG-CG1 4.37Å; F106-I114 HydrophobicContact CB-CB 4.41Å; F106-I114 HydrophobicContact CB-CG1 4.05Å; F106-I114 HydrophobicContact CB-CG2 3.85Å; F106-I114 HydrophobicContact CD1-CG2 4.09Å; F106-I114 HydrophobicContact CD2-CD1 3.74Å; F106-I114 HydrophobicContact CD2-CG1 4.03Å; F106-I114 HydrophobicContact CD2-CG2 4.34Å; F106-I114 HydrophobicContact CE2-CD1 4.15Å; F106-I114 HydrophobicContact CG-CD1 4.32Å; F106-I114 HydrophobicContact CG-CG1 4.2Å; F106-I114 HydrophobicContact CG-CG2 3.85Å; I114-A135 HydrophobicContact CG2-CB 3.73Å
115Y97.4Very high96Very high24 Ų2445.6 Ų45.69%0.09425%0.245CC..PPolyproline II helixtrans-66.5135.4172.3166.8-100.8000111.4S107 L109 R113 R117 A135 A136 E260S107-Y115 WeakPolarHBondContact O-CB 3.29Å; S107-Y115 PolarHBondContact O-N 3.36Å; L109-Y115 HydrophobicContact CD2-CD2 3.92Å; R113-Y115 PolarHBondContact O-N 3.21Å; Y115-R117 HydrophobicContact CE1-CB 3.93Å; Y115-R117 WeakPolarHBondContact OH-CB 3.24Å; Y115-A135 WeakPolarHBondContact O-CA 3.49Å; Y115-A136 PolarHBondContact O-N 3.35Å; Y115-E260 PolarHBondContact OH-OE1 3.16Å
116Q97.2Very high95.9Very high4 Ų445.5 Ų45.52%0.01924%0.236CC..EExtended strand (participates in β ladder)trans-129.7135.8175.9-53.3-177.6-8800111V55 N59 T60 A132 R133 T134 A135V55-Q116 PolarHBondContact O-NE2 3.45Å; N59-Q116 VanDerWaalsContact N-OE1 3.15Å; T60-Q116 PolarHBondContact OG1-O 3.48Å; T60-Q116 VanDerWaalsContact OG1-O 3.13Å; Q116-A132 WeakPolarHBondContact CB-O 3.42Å; Q116-R133 VanDerWaalsContact NE2-C 3.32Å; Q116-R133 PolarHBondContact NE2-O 3.27Å; Q116-T134 VanDerWaalsContact CA-O 3.32Å; Q116-T134 WeakPolarHBondContact CA-O 3.35Å; Q116-A135 HydrophobicContact CG-CB 4.37Å
117R94.6Very high95.7Very high2 Ų247.2 Ų47.21%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-111.9160-177.772.8179.179.3-157.89.9113.1Y115 A132 R133 T134 A138 E260Y115-R117 HydrophobicContact CE1-CB 3.93Å; Y115-R117 WeakPolarHBondContact OH-CB 3.24Å; R117-A132 CarbonylContact O-C 3.28Å; R117-A132 WeakPolarHBondContact O-CA 3.3Å; R117-R133 PolarHBondContact O-N 3.1Å; R117-T134 HydrophobicContact CG-CG2 4.46Å; R117-T134 PolarHBondContact N-O 3.22Å; R117-T134 WeakPolarHBondContact O-CB 3.29Å; R117-T134 PolarHBondContact O-N 3.02Å; R117-T134 VanDerWaalsContact O-N 3.16Å; R117-A138 VanDerWaalsContact NH2-C 3.29Å; R117-A138 PolarHBondContact NH2-O 3.5Å; R117-E260 IonicContact CZ-OE1 2.69Å; R117-E260 IonicContact NE-OE1 3.44Å; R117-E260 IonicContact NH1-OE1 3.82Å; R117-E260 PolarHBondContact NH1-OE1 3.04Å
118P95.1Very high95.6Very high35 Ų3547.9 Ų47.923%0.22727%0.268CS..  trans-61.8148.3167.3-20.433.2000112.4Q130 A132P118-Q130 HydrophobicContact CB-CG 3.97Å; P118-A132 HydrophobicContact CG-CB 4.15Å
119F93.4Very high95.4Very high4 Ų449.2 Ų49.22%0.01828%0.278CS..  trans-150.5165.2175.4-132.7-110.9000110.5Q130 T134 E255 G256 G401F119-Q130 PolarHBondContact O-NE2 3.23Å; F119-T134 WeakPolarHBondContact CB-OG1 3.49Å; F119-T134 HydrophobicContact CD2-CG2 4.12Å; F119-T134 HydrophobicContact CG-CG2 4.28Å; F119-E255 HydrophobicContact CD1-CG 4.1Å; F119-E255 WeakPolarHBondContact CD1-OE1 3.2Å; F119-E255 HydrophobicContact CE1-CB 3.81Å; F119-E255 HydrophobicContact CE1-CG 3.84Å; F119-E255 WeakPolarHBondContact CE1-OE1 3.31Å; F119-E255 HydrophobicContact CE2-CB 4.19Å; F119-E255 HydrophobicContact CE2-CG 4.33Å; F119-E255 HydrophobicContact CG-CG 4.45Å; F119-E255 HydrophobicContact CZ-CB 3.6Å; F119-E255 HydrophobicContact CZ-CG 3.98Å; F119-G256 VanDerWaalsContact CE2-N 3.31Å; F119-G401 WeakPolarHBondContact CD1-O 3.4Å; F119-G401 VanDerWaalsContact CE1-C 3.48Å; F119-G401 VanDerWaalsContact CE1-CA 3.44Å
120G90.6Very high95.4Very high2 Ų250.3 Ų50.32%0.02128%0.282CS..THydrogen-bonded Turntrans-64.1134.9-17100000113.4Q122 E255 L283G120-Q122 PolarHBondContact O-N 3.41Å; G120-E255 VanDerWaalsContact CA-OE1 3.23Å; G120-E255 WeakPolarHBondContact CA-OE1 3.33Å; G120-E255 PolarHBondContact N-OE1 3.32Å; G120-L283 CarbonylContact C-O 3.53Å; G120-L283 VanDerWaalsContact CA-O 3.3Å; G120-L283 WeakPolarHBondContact CA-O 3.39Å
121G92.7Very high95.4Very high11 Ų1141.6 Ų41.611%0.11324%0.236CC..THydrogen-bonded Turntrans70.624.5174.500000115.9L283G121-L283 PolarHBondContact N-O 3.49Å
122Q95.3Very high95.5Very high3 Ų337.9 Ų37.91%0.01422%0.218CC..  trans-113.7129.1-178.9-61-179.321.100111.4T54 D71 G120 Q130 A131 T134 G401T54-Q122 VanDerWaalsContact CG2-NE2 3.33Å; T54-Q122 PolarHBondContact OG1-NE2 3.49Å; D71-Q122 WeakPolarHBondContact OD2-CA 3.49Å; G120-Q122 PolarHBondContact O-N 3.41Å; Q122-Q130 PolarHBondContact O-NE2 3.48Å; Q122-Q130 VanDerWaalsContact O-NE2 3.08Å; Q122-A131 HydrophobicContact CB-CB 4.23Å; Q122-A131 PolarHBondContact O-N 3.08Å; Q122-T134 PolarHBondContact NE2-OG1 3.44Å; Q122-T134 PolarHBondContact OE1-OG1 3.28Å; Q122-G401 PolarHBondContact NE2-O 3.19Å; Q122-G401 VanDerWaalsContact NE2-O 3.17Å
123S96.3Very high95.5Very high11 Ų1136 Ų368%0.07720%0.198CC..BIsolated β-bridgetrans-135.9156.9-17474.20000113.2D71 G127 E129 R133D71-S123 VanDerWaalsContact CG-N 3.34Å; D71-S123 PolarHBondContact OD1-N 3.28Å; D71-S123 PolarHBondContact OD1-OG 3Å; D71-S123 PolarHBondContact OD2-N 3.01Å; D71-S123 VanDerWaalsContact OD2-O 3.1Å; S123-G127 WeakPolarHBondContact OG-CA 3.25Å; S123-G127 PolarHBondContact OG-N 2.68Å; S123-E129 CarbonylContact C-O 3.58Å; S123-E129 VanDerWaalsContact CA-O 3.23Å; S123-E129 WeakPolarHBondContact CA-O 3.32Å; S123-R133 PolarHBondContact O-NH1 2.84Å; S123-R133 PolarHBondContact O-NH2 2.92Å
124K97Very high95.5Very high43 Ų4330.5 Ų30.519%0.18718%0.177CC..SBendtrans-86.7161.6167.2-55176.8-162.5160.90109.5W67 F126 G127 G128 E129 Q130 A131W67-K124 HydrophobicContact CE3-CB 4.07Å; W67-K124 HydrophobicContact CZ3-CB 3.99Å; W67-K124 HydrophobicContact CZ3-CG 4.43Å; K124-F126 VanDerWaalsContact C-N 3.34Å; K124-F126 PolarHBondContact O-N 3.27Å; K124-G127 PolarHBondContact O-N 3.1Å; K124-G128 WeakPolarHBondContact O-CA 3.5Å; K124-G128 PolarHBondContact O-N 3.34Å; K124-E129 HydrophobicContact CD-CB 4.4Å; K124-E129 PolarHBondContact N-O 3.41Å; K124-E129 IonicContact NZ-OE2 2.88Å; K124-E129 PolarHBondContact NZ-OE2 3.18Å; K124-Q130 WeakPolarHBondContact CE-O 3.4Å; K124-A131 HydrophobicContact CG-CB 4.2Å
125N96.4Very high95.5Very high107 Ų10730.2 Ų30.257%0.57218%0.176SC*.THydrogen-bonded Turntrans48.847.7168.3-63.1-44.2000114.6W67 G127W67-N125 VanDerWaalsContact CD2-N 3.31Å; W67-N125 VanDerWaalsContact CH2-OD1 3.3Å; W67-N125 WeakPolarHBondContact CH2-OD1 3.48Å; W67-N125 WeakPolarHBondContact CZ2-OD1 3.48Å; N125-G127 PolarHBondContact O-N 3.29Å
126F95.8Very high95.4Very high83 Ų8329.1 Ų29.136%0.36417%0.171SC..THydrogen-bonded Turntrans56.445.8175.5-50.6-76.5000115E66 W67 Y70 K124 F581E66-F126 HydrophobicContact CB-CE1 4.15Å; E66-F126 HydrophobicContact CB-CZ 4.26Å; W67-F126 AromaticContact CD1-CE1 3.79Å; W67-F126 AromaticContact CD1-CE2 3.78Å; W67-F126 AromaticContact CD1-CZ 3.63Å; W67-F126 AromaticContact NE1-CE2 3.68Å; W67-F126 AromaticContact NE1-CZ 3.88Å; Y70-F126 HydrophobicContact CD1-CB 4.2Å; Y70-F126 HydrophobicContact CD2-CB 4.36Å; Y70-F126 HydrophobicContact CD2-CD1 4.25Å; Y70-F126 HydrophobicContact CE1-CB 4.36Å; Y70-F126 WeakPolarHBondContact CE1-O 3.4Å; Y70-F126 HydrophobicContact CG-CB 4.17Å; Y70-F126 AromaticContact CG-CD1 3.95Å; Y70-F126 HydrophobicContact CG-CD1 3.95Å; Y70-F126 VanDerWaalsContact CZ-O 3.27Å; Y70-F126 PolarHBondContact OH-O 2.71Å; K124-F126 VanDerWaalsContact C-N 3.34Å; K124-F126 PolarHBondContact O-N 3.27Å; F126-F581 AromaticContact CD1-CE1 3.97Å; F126-F581 HydrophobicContact CD1-CE1 3.97Å; F126-F581 HydrophobicContact CD1-CZ 4.13Å; F126-F581 HydrophobicContact CE1-CE1 4.08Å; F126-F581 AromaticContact CE1-CZ 3.95Å; F126-F581 HydrophobicContact CE1-CZ 3.95Å
127G93.4Very high95.3Very high42 Ų4229.4 Ų29.443%0.43317%0.174SC..THydrogen-bonded Turntrans110.612.7177.400000115.3S123 K124 N125S123-G127 WeakPolarHBondContact OG-CA 3.25Å; S123-G127 PolarHBondContact OG-N 2.68Å; K124-G127 PolarHBondContact O-N 3.1Å; N125-G127 PolarHBondContact O-N 3.29Å
128G94.4Very high95.1Very high47 Ų4730.6 Ų30.649%0.48518%0.184SC..  trans-78.7-135.2175.800000113K124K124-G128 WeakPolarHBondContact O-CA 3.5Å; K124-G128 PolarHBondContact O-N 3.34Å
129E93.8Very high94.7Very high137 Ų13729 Ų2964%0.6417%0.174SC*.SBendtrans-62.2157.6-178-62.1-180171.400113.3S123 K124 A131S123-E129 CarbonylContact C-O 3.58Å; S123-E129 VanDerWaalsContact CA-O 3.23Å; S123-E129 WeakPolarHBondContact CA-O 3.32Å; K124-E129 HydrophobicContact CD-CB 4.4Å; K124-E129 PolarHBondContact N-O 3.41Å; K124-E129 IonicContact NZ-OE2 2.88Å; K124-E129 PolarHBondContact NZ-OE2 3.18Å; E129-A131 PolarHBondContact O-N 2.86Å
130Q94.9Very high94.7Very high68 Ų6834.7 Ų34.732%0.31820%0.196SC..BIsolated β-bridgetrans-52.7128.2173.3177.766.557.400111.6P118 F119 Q122 K124P118-Q130 HydrophobicContact CB-CG 3.97Å; F119-Q130 PolarHBondContact O-NE2 3.23Å; Q122-Q130 PolarHBondContact O-NE2 3.48Å; Q122-Q130 VanDerWaalsContact O-NE2 3.08Å; K124-Q130 WeakPolarHBondContact CE-O 3.4Å
131A96.9Very high94.9Very high0 Ų034.6 Ų34.60%020%0.195CC..PPolyproline II helixtrans-87.6150.3170.700000111.6Q122 K124 E129 R133Q122-A131 HydrophobicContact CB-CB 4.23Å; Q122-A131 PolarHBondContact O-N 3.08Å; K124-A131 HydrophobicContact CG-CB 4.2Å; E129-A131 PolarHBondContact O-N 2.86Å; A131-R133 VanDerWaalsContact CB-NH2 3.31Å
132A96.7Very high95.1Very high12 Ų1234.1 Ų34.110%0.09919%0.189CC..  trans-119.975.3173.200000109.1T60 H61 Q116 R117 P118T60-A132 HydrophobicContact CG2-CB 3.93Å; H61-A132 PolarHBondContact NE2-N 2.85Å; Q116-A132 WeakPolarHBondContact CB-O 3.42Å; R117-A132 CarbonylContact O-C 3.28Å; R117-A132 WeakPolarHBondContact O-CA 3.3Å; P118-A132 HydrophobicContact CG-CB 4.15Å
133R97.9Very high95.3Very high0 Ų038 Ų380%021%0.208CC..  trans-120.310.2-173.971.9169.465.999-2.1114.6T54 V55 D63 D71 Q116 R117 S123 A131 A135T54-R133 HydrophobicContact CG2-CG 3.8Å; V55-R133 PolarHBondContact N-O 3.13Å; D63-R133 IonicContact OD1-CZ 3.17Å; D63-R133 IonicContact OD1-NE 2.76Å; D63-R133 PolarHBondContact OD1-NE 3.27Å; D63-R133 IonicContact OD1-NH2 3.79Å; D63-R133 PolarHBondContact OD1-NH2 3.22Å; D63-R133 VanDerWaalsContact OD2-CB 3.27Å; D63-R133 WeakPolarHBondContact OD2-CB 3.39Å; D63-R133 IonicContact OD2-CZ 3.6Å; D63-R133 IonicContact OD2-NE 3.83Å; D63-R133 PolarHBondContact OD2-NE 3.27Å; D63-R133 IonicContact OD2-NH2 2.84Å; D71-R133 IonicContact OD2-CZ 3.77Å; D71-R133 IonicContact OD2-NH1 2.64Å; D71-R133 PolarHBondContact OD2-NH1 3.1Å; Q116-R133 VanDerWaalsContact NE2-C 3.32Å; Q116-R133 PolarHBondContact NE2-O 3.27Å; R117-R133 PolarHBondContact O-N 3.1Å; S123-R133 PolarHBondContact O-NH1 2.84Å; S123-R133 PolarHBondContact O-NH2 2.92Å; A131-R133 VanDerWaalsContact CB-NH2 3.31Å; R133-A135 PolarHBondContact O-N 2.95Å
134T97.8Very high95.3Very high0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-90.799.6178.5-64.50000110.3I53 T54 Q116 R117 F119 Q122I53-T134 CarbonylContact O-C 3.58Å; T54-T134 PolarHBondContact OG1-OG1 3.35Å; Q116-T134 VanDerWaalsContact CA-O 3.32Å; Q116-T134 WeakPolarHBondContact CA-O 3.35Å; R117-T134 HydrophobicContact CG-CG2 4.46Å; R117-T134 PolarHBondContact N-O 3.22Å; R117-T134 WeakPolarHBondContact O-CB 3.29Å; R117-T134 PolarHBondContact O-N 3.02Å; R117-T134 VanDerWaalsContact O-N 3.16Å; F119-T134 WeakPolarHBondContact CB-OG1 3.49Å; F119-T134 HydrophobicContact CD2-CG2 4.12Å; F119-T134 HydrophobicContact CG-CG2 4.28Å; Q122-T134 PolarHBondContact NE2-OG1 3.44Å; Q122-T134 PolarHBondContact OE1-OG1 3.28Å
135A97.9Very high95.4Very high0 Ų036 Ų360%020%0.199CC..EExtended strand (participates in β ladder)trans-66.1136.5176.300000110.5G52 I53 V55 F106 I114 Y115 Q116 R133G52-A135 CarbonylContact C-O 3.6Å; G52-A135 WeakPolarHBondContact CA-O 3.39Å; I53-A135 PolarHBondContact N-O 3.09Å; I53-A135 PolarHBondContact O-N 3.25Å; V55-A135 HydrophobicContact CG1-CB 4.1Å; F106-A135 HydrophobicContact CD1-CB 4.2Å; F106-A135 HydrophobicContact CE1-CB 3.93Å; I114-A135 HydrophobicContact CG2-CB 3.73Å; Y115-A135 WeakPolarHBondContact O-CA 3.49Å; Q116-A135 HydrophobicContact CG-CB 4.37Å; R133-A135 PolarHBondContact O-N 2.95Å
136A95.9Very high95.5Very high0 Ų030.9 Ų30.90%017%0.172CC..  trans-142.2149.1-171.200000113.4S107 Y115 A138 T141S107-A136 WeakPolarHBondContact CB-O 3.48Å; S107-A136 PolarHBondContact N-O 3.32Å; S107-A136 PolarHBondContact OG-O 3.46Å; Y115-A136 PolarHBondContact O-N 3.35Å; A136-A138 WeakPolarHBondContact CB-O 3.35Å; A136-T141 WeakPolarHBondContact CA-OG1 3.36Å
137A94.6Very high95.6Very high10 Ų1029.9 Ų29.98%0.08317%0.168CC..SBendtrans-108.283164.900000107.9P105 D139 R140 T141 A144P105-A137 WeakPolarHBondContact O-CB 3.31Å; A137-D139 PolarHBondContact O-N 3.46Å; A137-R140 CarbonylContact O-C 3.55Å; A137-R140 PolarHBondContact O-N 3.21Å; A137-T141 PolarHBondContact N-OG1 3.35Å; A137-A144 HydrophobicContact CB-CB 3.84Å
138A89.7Confident95.9Very high27 Ų2728.1 Ų28.122%0.22315%0.149CC..THydrogen-bonded Turntrans45.6-133.9-162.400000110.3S107 R117 A136S107-A138 PolarHBondContact OG-N 2.83Å; R117-A138 VanDerWaalsContact NH2-C 3.29Å; R117-A138 PolarHBondContact NH2-O 3.5Å; A136-A138 WeakPolarHBondContact CB-O 3.35Å
139D87.1Confident96.1Very high3 Ų325.9 Ų25.92%0.01613%0.126CC..THydrogen-bonded Turntrans-100.428.3171.965.5-13.6000112.7Q50 A137 L327 P328 G329 I330Q50-D139 WeakPolarHBondContact CA-O 3.5Å; Q50-D139 WeakPolarHBondContact CB-O 3.4Å; Q50-D139 WeakPolarHBondContact CG-O 3.43Å; Q50-D139 CarbonylContact O-C 3.49Å; A137-D139 PolarHBondContact O-N 3.46Å; D139-L327 WeakPolarHBondContact OD2-CA 3.38Å; D139-P328 VanDerWaalsContact OD1-CD 3.31Å; D139-P328 WeakPolarHBondContact OD1-CD 3.27Å; D139-P328 WeakPolarHBondContact OD1-CG 3.33Å; D139-G329 PolarHBondContact OD1-N 3.37Å; D139-G329 VanDerWaalsContact OD2-CA 3.27Å; D139-G329 WeakPolarHBondContact OD2-CA 3.5Å; D139-G329 PolarHBondContact OD2-N 3.02Å; D139-I330 PolarHBondContact OD2-N 3.48Å; D139-I330 VanDerWaalsContact OD2-N 3.13Å
140R92.9Very high96.3Very high123 Ų12321.6 Ų21.646%0.46410%0.104SC..  trans-128.332.5-177.4-61.8-178.1179.5173.7-4.5112.4A137 G142 H143 A144 E332A137-R140 CarbonylContact O-C 3.55Å; A137-R140 PolarHBondContact O-N 3.21Å; R140-G142 VanDerWaalsContact C-N 3.34Å; R140-G142 PolarHBondContact O-N 2.96Å; R140-H143 HydrophobicContact CB-CB 4.31Å; R140-H143 WeakPolarHBondContact O-CB 3.49Å; R140-H143 PolarHBondContact O-N 3.45Å; R140-A144 PolarHBondContact O-N 3.12Å; R140-E332 IonicContact NH2-OE2 2.67Å
141T95.9Very high96.5Very high0 Ų023.8 Ų23.80%012%0.115CC..Hα-helixtrans-62.3-39.3-171.2-48.90000113.2Q50 G52 I53 F106 A136 A137 A144 L145 L405Q50-T141 PolarHBondContact O-N 3.29Å; Q50-T141 PolarHBondContact O-OG1 3.01Å; Q50-T141 VanDerWaalsContact O-OG1 3.04Å; G52-T141 WeakPolarHBondContact CA-OG1 3.35Å; I53-T141 HydrophobicContact CD1-CG2 4.18Å; I53-T141 HydrophobicContact CG1-CG2 3.78Å; F106-T141 HydrophobicContact CE1-CG2 4.45Å; A136-T141 WeakPolarHBondContact CA-OG1 3.36Å; A137-T141 PolarHBondContact N-OG1 3.35Å; T141-A144 PolarHBondContact O-N 3.3Å; T141-L145 VanDerWaalsContact O-CB 3.31Å; T141-L145 WeakPolarHBondContact O-CB 3.36Å; T141-L145 PolarHBondContact O-N 2.99Å; T141-L405 HydrophobicContact CG2-CD1 4.33Å
142G97.4Very high96.6Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-65-40.9175.600000113.3T46 A49 R140 L145 L146T46-G142 CarbonylContact O-C 3.57Å; T46-G142 WeakPolarHBondContact O-CA 3.35Å; A49-G142 VanDerWaalsContact O-CA 3.28Å; A49-G142 WeakPolarHBondContact O-CA 3.37Å; A49-G142 PolarHBondContact O-N 3.47Å; R140-G142 VanDerWaalsContact C-N 3.34Å; R140-G142 PolarHBondContact O-N 2.96Å; G142-L145 PolarHBondContact O-N 3.49Å; G142-L146 VanDerWaalsContact O-CB 3.28Å; G142-L146 WeakPolarHBondContact O-CB 3.36Å; G142-L146 PolarHBondContact O-N 2.89Å
143H97.6Very high96.7Very high86 Ų8624.4 Ų24.440%0.39812%0.116SC..Hα-helixtrans-59.6-51.8174175.492.4000111V47 R140 L145 L146 H147V47-H143 HydrophobicContact CG2-CB 4.13Å; V47-H143 PolarHBondContact O-N 3.15Å; R140-H143 HydrophobicContact CB-CB 4.31Å; R140-H143 WeakPolarHBondContact O-CB 3.49Å; R140-H143 PolarHBondContact O-N 3.45Å; H143-L145 PolarHBondContact O-N 3.44Å; H143-L146 PolarHBondContact O-N 3.07Å; H143-H147 AromaticContact CE1-CD2 3.48Å; H143-H147 PolarHBondContact CE1-CD2 2.81Å; H143-H147 VanDerWaalsContact CE1-CD2 3.48Å; H143-H147 AromaticContact CE1-NE2 3.29Å; H143-H147 PolarHBondContact CE1-NE2 2.92Å; H143-H147 VanDerWaalsContact CE1-NE2 3.29Å; H143-H147 AromaticContact ND1-CD2 3.72Å; H143-H147 AromaticContact ND1-NE2 3.73Å; H143-H147 AromaticContact NE2-CD2 3.72Å; H143-H147 AromaticContact NE2-NE2 3.89Å; H143-H147 PolarHBondContact O-CD2 3.44Å; H143-H147 VanDerWaalsContact O-CD2 3.27Å; H143-H147 PolarHBondContact O-N 2.92Å; H143-H147 VanDerWaalsContact O-N 3.09Å
144A97.8Very high96.7Very high11 Ų1128.5 Ų28.59%0.09114%0.137CC..Hα-helixtrans-57.2-50.717800000111.6L104 P105 A137 R140 T141 L146 H147 T148L104-A144 HydrophobicContact CD2-CB 4.29Å; P105-A144 HydrophobicContact CG-CB 4.07Å; A137-A144 HydrophobicContact CB-CB 3.84Å; R140-A144 PolarHBondContact O-N 3.12Å; T141-A144 PolarHBondContact O-N 3.3Å; A144-L146 PolarHBondContact O-N 3.49Å; A144-H147 PolarHBondContact O-N 3.5Å; A144-T148 PolarHBondContact O-N 3.04Å; A144-T148 PolarHBondContact O-OG1 3.12Å; A144-T148 VanDerWaalsContact O-OG1 3.06Å
145L98.6Very high96.7Very high0 Ų035.5 Ų35.50%017%0.167CC..Hα-helixtrans-56.9-48.2178.8178.3148.4000112.4T46 I53 L99 L104 T141 G142 H143 T148 L149 V409T46-L145 HydrophobicContact CG2-CD2 3.8Å; I53-L145 HydrophobicContact CD1-CD1 3.45Å; I53-L145 VanDerWaalsContact CD1-CD1 3.45Å; L99-L145 HydrophobicContact CD1-CD1 4.35Å; L104-L145 HydrophobicContact CD1-CB 3.87Å; L104-L145 HydrophobicContact CD1-CD1 4.44Å; L104-L145 HydrophobicContact CD1-CG 4.27Å; T141-L145 VanDerWaalsContact O-CB 3.31Å; T141-L145 WeakPolarHBondContact O-CB 3.36Å; T141-L145 PolarHBondContact O-N 2.99Å; G142-L145 PolarHBondContact O-N 3.49Å; H143-L145 PolarHBondContact O-N 3.44Å; L145-T148 PolarHBondContact O-N 2.8Å; L145-L149 HydrophobicContact CD2-CD1 3.64Å; L145-L149 HydrophobicContact CD2-CG 4.49Å; L145-L149 HydrophobicContact CG-CD1 4.23Å; L145-L149 WeakPolarHBondContact O-CG 3.47Å; L145-L149 PolarHBondContact O-N 3.47Å; L145-V409 HydrophobicContact CD1-CG1 3.83Å
146L98.5Very high96.6Very high0 Ų037.7 Ų37.70%018%0.179CC..Hα-helixtrans-68.1-40.1-174.1-164.270.8000111.7M20 T46 V47 G142 H143 A144 Y150M20-L146 HydrophobicContact CE-CD1 3.1Å; M20-L146 HydrophobicContact CE-CG 3.64Å; M20-L146 WeakPolarHBondContact CE-O 3.46Å; T46-L146 HydrophobicContact CG2-CB 4.39Å; T46-L146 HydrophobicContact CG2-CD1 3.92Å; V47-L146 HydrophobicContact CB-CD2 3.63Å; V47-L146 HydrophobicContact CG2-CD2 4.25Å; G142-L146 VanDerWaalsContact O-CB 3.28Å; G142-L146 WeakPolarHBondContact O-CB 3.36Å; G142-L146 PolarHBondContact O-N 2.89Å; H143-L146 PolarHBondContact O-N 3.07Å; A144-L146 PolarHBondContact O-N 3.49Å; L146-Y150 WeakPolarHBondContact O-CB 3.44Å; L146-Y150 PolarHBondContact O-N 3.3Å
147H98.7Very high96.6Very high62 Ų6245.5 Ų45.529%0.28722%0.215SC..Hα-helixtrans-66.8-41.1175.7-84.5-94.8000112.3H143 A144 Y150 Q151H143-H147 AromaticContact CE1-CD2 3.48Å; H143-H147 PolarHBondContact CE1-CD2 2.81Å; H143-H147 VanDerWaalsContact CE1-CD2 3.48Å; H143-H147 AromaticContact CE1-NE2 3.29Å; H143-H147 PolarHBondContact CE1-NE2 2.92Å; H143-H147 VanDerWaalsContact CE1-NE2 3.29Å; H143-H147 AromaticContact ND1-CD2 3.72Å; H143-H147 AromaticContact ND1-NE2 3.73Å; H143-H147 AromaticContact NE2-CD2 3.72Å; H143-H147 AromaticContact NE2-NE2 3.89Å; H143-H147 PolarHBondContact O-CD2 3.44Å; H143-H147 VanDerWaalsContact O-CD2 3.27Å; H143-H147 PolarHBondContact O-N 2.92Å; H143-H147 VanDerWaalsContact O-N 3.09Å; A144-H147 PolarHBondContact O-N 3.5Å; H147-Y150 PolarHBondContact O-N 3.08Å; H147-Q151 WeakPolarHBondContact O-CG 3.42Å; H147-Q151 PolarHBondContact O-N 3.33Å
148T98.7Very high96.8Very high5 Ų545.6 Ų45.63%0.03122%0.215CC..Hα-helixtrans-60.2-50.1174.2-620000111M102 L104 A144 L145 Y150 Q151 Q152M102-T148 HydrophobicContact CB-CG2 3.93Å; L104-T148 WeakPolarHBondContact CA-OG1 3.42Å; L104-T148 HydrophobicContact CB-CG2 4.23Å; A144-T148 PolarHBondContact O-N 3.04Å; A144-T148 PolarHBondContact O-OG1 3.12Å; A144-T148 VanDerWaalsContact O-OG1 3.06Å; L145-T148 PolarHBondContact O-N 2.8Å; T148-Y150 VanDerWaalsContact C-N 3.32Å; T148-Y150 PolarHBondContact O-N 2.95Å; T148-Q151 PolarHBondContact O-N 3.44Å; T148-Q152 HydrophobicContact CG2-CG 4.47Å; T148-Q152 WeakPolarHBondContact O-CG 3.42Å; T148-Q152 PolarHBondContact O-N 3.34Å
149L98.8Very high97.2Very high0 Ų047.4 Ų47.40%022%0.223CC..Hα-helixtrans-62.3-38.8179.4-74.5176.7000112.6G17 M20 R21 L24 L99 L145 Q152 N153G17-L149 WeakPolarHBondContact O-CD1 3.28Å; M20-L149 HydrophobicContact CB-CB 4.03Å; M20-L149 HydrophobicContact CB-CD1 4.48Å; M20-L149 HydrophobicContact CE-CB 4.06Å; R21-L149 HydrophobicContact CB-CD1 4.36Å; R21-L149 HydrophobicContact CB-CD2 4.36Å; L24-L149 HydrophobicContact CD2-CD2 4.33Å; L99-L149 HydrophobicContact CD2-CD2 3.92Å; L99-L149 HydrophobicContact CD2-CG 4.42Å; L145-L149 HydrophobicContact CD2-CD1 3.64Å; L145-L149 HydrophobicContact CD2-CG 4.49Å; L145-L149 HydrophobicContact CG-CD1 4.23Å; L145-L149 WeakPolarHBondContact O-CG 3.47Å; L145-L149 PolarHBondContact O-N 3.47Å; L149-Q152 PolarHBondContact O-N 3.46Å; L149-N153 PolarHBondContact O-N 3.44Å; L149-N153 PolarHBondContact O-ND2 3.36Å
150Y98.7Very high97.7Very high47 Ų4749.2 Ų49.218%0.18423%0.232CC..Hα-helixtrans-59.8-48.8175.1176.2-110.2000111.6M20 F40 P41 T42 L146 H147 T148 Q152 N153 L154 I160M20-Y150 HydrophobicContact SD-CD2 4.29Å; F40-Y150 HydrophobicContact CE1-CE1 4.42Å; F40-Y150 HydrophobicContact CE1-CE2 4.44Å; F40-Y150 HydrophobicContact CE2-CE2 4.47Å; F40-Y150 AromaticContact CZ-CE1 3.98Å; F40-Y150 HydrophobicContact CZ-CE1 3.98Å; F40-Y150 AromaticContact CZ-CE2 3.93Å; F40-Y150 HydrophobicContact CZ-CE2 3.93Å; F40-Y150 AromaticContact CZ-CZ 3.45Å; F40-Y150 VanDerWaalsContact CZ-CZ 3.45Å; F40-Y150 VanDerWaalsContact CZ-OH 3.26Å; F40-Y150 WeakPolarHBondContact CZ-OH 3.32Å; P41-Y150 HydrophobicContact CB-CD2 3.79Å; P41-Y150 HydrophobicContact CB-CE2 4.24Å; P41-Y150 HydrophobicContact CG-CD2 4.05Å; P41-Y150 HydrophobicContact CG-CE2 4.04Å; T42-Y150 HydrophobicContact CG2-CD1 4Å; T42-Y150 HydrophobicContact CG2-CG 3.87Å; L146-Y150 WeakPolarHBondContact O-CB 3.44Å; L146-Y150 PolarHBondContact O-N 3.3Å; H147-Y150 PolarHBondContact O-N 3.08Å; T148-Y150 VanDerWaalsContact C-N 3.32Å; T148-Y150 PolarHBondContact O-N 2.95Å; Y150-Q152 VanDerWaalsContact C-N 3.31Å; Y150-Q152 PolarHBondContact O-N 2.85Å; Y150-N153 PolarHBondContact O-N 3.21Å; Y150-L154 HydrophobicContact CD1-CD1 4.25Å; Y150-L154 HydrophobicContact CE1-CD1 3.6Å; Y150-L154 HydrophobicContact CE1-CG 4.33Å; Y150-L154 HydrophobicContact CE2-CD1 4.42Å; Y150-L154 HydrophobicContact CE2-CD2 4.38Å; Y150-L154 HydrophobicContact CE2-CG 4.35Å; Y150-L154 PolarHBondContact O-N 3.45Å; Y150-L154 VanDerWaalsContact O-N 3.12Å; Y150-I160 HydrophobicContact CD2-CD1 4.34Å; Y150-I160 HydrophobicContact CE2-CD1 3.98Å
151Q98.6Very high98Very high114 Ų11444.1 Ų44.153%0.53321%0.213SC..Hα-helixtrans-61.5-38.9177.4-70.4170.5-11.400112.2H147 T148 L154 K155H147-Q151 WeakPolarHBondContact O-CG 3.42Å; H147-Q151 PolarHBondContact O-N 3.33Å; T148-Q151 PolarHBondContact O-N 3.44Å; Q151-L154 PolarHBondContact O-N 2.89Å; Q151-K155 WeakPolarHBondContact O-CB 3.37Å; Q151-K155 PolarHBondContact O-N 3.46Å
152Q98.5Very high98.1Very high25 Ų2546 Ų4612%0.11723%0.227CC..Hα-helixtrans-67.7-37177-66.6-55.9-36.700112.6L24 M102 T148 L149 Y150 K155 N156L24-Q152 HydrophobicContact CD1-CB 4.11Å; L24-Q152 HydrophobicContact CD2-CB 3.76Å; M102-Q152 HydrophobicContact CB-CG 3.85Å; M102-Q152 HydrophobicContact CG-CG 3.94Å; M102-Q152 PolarHBondContact O-NE2 2.97Å; M102-Q152 HydrophobicContact SD-CG 4.04Å; T148-Q152 HydrophobicContact CG2-CG 4.47Å; T148-Q152 WeakPolarHBondContact O-CG 3.42Å; T148-Q152 PolarHBondContact O-N 3.34Å; L149-Q152 PolarHBondContact O-N 3.46Å; Y150-Q152 VanDerWaalsContact C-N 3.31Å; Y150-Q152 PolarHBondContact O-N 2.85Å; Q152-K155 PolarHBondContact O-N 2.78Å; Q152-N156 PolarHBondContact O-N 2.75Å; Q152-N156 VanDerWaalsContact O-N 3.08Å; Q152-N156 PolarHBondContact O-ND2 3.12Å
153N98.5Very high98.2Very high0 Ų049.8 Ų49.80%025%0.245CC..Hα-helixtrans-63.5-42.3174.2-83.8-96.9000111.3M20 L24 L149 Y150 K155 N156 H157 T158 I160M20-N153 PolarHBondContact O-ND2 2.86Å; M20-N153 PolarHBondContact O-OD1 3.13Å; L24-N153 PolarHBondContact N-OD1 3.31Å; L149-N153 PolarHBondContact O-N 3.44Å; L149-N153 PolarHBondContact O-ND2 3.36Å; Y150-N153 PolarHBondContact O-N 3.21Å; N153-K155 PolarHBondContact O-N 3.18Å; N153-N156 CarbonylContact O-C 3.6Å; N153-N156 PolarHBondContact O-N 3.49Å; N153-H157 PolarHBondContact O-N 2.92Å; N153-H157 VanDerWaalsContact O-N 3.12Å; N153-T158 PolarHBondContact O-N 3.02Å; N153-T158 VanDerWaalsContact O-N 3.14Å; N153-T158 WeakPolarHBondContact OD1-CG2 3.23Å; N153-T158 PolarHBondContact OD1-OG1 2.67Å; N153-I160 HydrophobicContact CB-CD1 4.4Å
154L97.8Very high98.2Very high86 Ų8646.8 Ų46.845%0.4523%0.23SC..Hα-helixtrans-60.9-44.8174.2-65.9179.7000112Y150 Q151 N156 H157 I160Y150-L154 HydrophobicContact CD1-CD1 4.25Å; Y150-L154 HydrophobicContact CE1-CD1 3.6Å; Y150-L154 HydrophobicContact CE1-CG 4.33Å; Y150-L154 HydrophobicContact CE2-CD1 4.42Å; Y150-L154 HydrophobicContact CE2-CD2 4.38Å; Y150-L154 HydrophobicContact CE2-CG 4.35Å; Y150-L154 PolarHBondContact O-N 3.45Å; Y150-L154 VanDerWaalsContact O-N 3.12Å; Q151-L154 PolarHBondContact O-N 2.89Å; L154-N156 PolarHBondContact O-N 3.36Å; L154-H157 PolarHBondContact O-N 2.92Å; L154-I160 HydrophobicContact CD2-CD1 4.17Å
155K97.8Very high98.3Very high147 Ų14746.3 Ų46.364%0.63923%0.225SC*.Hα-helixtrans-59-33.8177.5-179.4-175173.5-172.50112.5Q151 Q152 N153Q151-K155 WeakPolarHBondContact O-CB 3.37Å; Q151-K155 PolarHBondContact O-N 3.46Å; Q152-K155 PolarHBondContact O-N 2.78Å; N153-K155 PolarHBondContact O-N 3.18Å
156N96.9Very high98.3Very high45 Ų4546.7 Ų46.724%0.24123%0.229CC..THydrogen-bonded Turntrans-100.915.4-177.8-66.2-92000113L24 Q28 Q152 N153 L154 T158L24-N156 HydrophobicContact CD1-CB 3.93Å; L24-N156 WeakPolarHBondContact CD1-ND2 3.44Å; Q28-N156 HydrophobicContact CG-CB 4.36Å; Q28-N156 WeakPolarHBondContact CG-OD1 3.34Å; Q28-N156 PolarHBondContact NE2-OD1 3.49Å; Q152-N156 PolarHBondContact O-N 2.75Å; Q152-N156 VanDerWaalsContact O-N 3.08Å; Q152-N156 PolarHBondContact O-ND2 3.12Å; N153-N156 CarbonylContact O-C 3.6Å; N153-N156 PolarHBondContact O-N 3.49Å; L154-N156 PolarHBondContact O-N 3.36Å; N156-T158 VanDerWaalsContact C-N 3.26Å; N156-T158 PolarHBondContact O-N 3.02Å
157H96.1Very high98.3Very high165 Ų16546.8 Ų46.876%0.76423%0.229SC*.THydrogen-bonded Turntrans56.231.9173.6-52.8-68.1000115.4N153 L154 T159N153-H157 PolarHBondContact O-N 2.92Å; N153-H157 VanDerWaalsContact O-N 3.12Å; L154-H157 PolarHBondContact O-N 2.92Å; H157-T159 PolarHBondContact O-N 2.97Å
158T97.9Very high98.3Very high11 Ų1144.4 Ų44.47%0.06722%0.219CC..  trans-58.3134.2169.1-55.40000110A23 S27 L35 N153 N156 I160A23-T158 HydrophobicContact CB-CG2 3.84Å; S27-T158 WeakPolarHBondContact CB-OG1 3.24Å; S27-T158 PolarHBondContact OG-OG1 2.95Å; L35-T158 HydrophobicContact CB-CG2 4.1Å; N153-T158 PolarHBondContact O-N 3.02Å; N153-T158 VanDerWaalsContact O-N 3.14Å; N153-T158 WeakPolarHBondContact OD1-CG2 3.23Å; N153-T158 PolarHBondContact OD1-OG1 2.67Å; N156-T158 VanDerWaalsContact C-N 3.26Å; N156-T158 PolarHBondContact O-N 3.02Å; T158-I160 PolarHBondContact O-N 2.8Å
159T98.4Very high98.3Very high65 Ų6544.8 Ų44.840%0.39922%0.22SC..EExtended strand (participates in β ladder)trans-81.8105179.7-55.80000109.9F8 C33 L35 H157 F161F8-T159 HydrophobicContact CE1-CG2 4.32Å; F8-T159 HydrophobicContact CZ-CG2 4.2Å; C33-T159 WeakPolarHBondContact O-CB 3.37Å; C33-T159 PolarHBondContact O-N 3.15Å; L35-T159 PolarHBondContact N-O 2.96Å; H157-T159 PolarHBondContact O-N 2.97Å; T159-F161 HydrophobicContact CG2-CD2 4.22Å; T159-F161 HydrophobicContact CG2-CE2 3.45Å; T159-F161 VanDerWaalsContact CG2-CE2 3.45Å; T159-F161 HydrophobicContact CG2-CZ 3.84Å
160I98.6Very high98.3Very high41 Ų4144.8 Ų44.821%0.2122%0.22CC..EExtended strand (participates in β ladder)trans-97.1121.4-176-51.7179.8000110.7L35 P41 Y150 N153 L154 T158 S162L35-I160 HydrophobicContact CD2-CG1 4.34Å; P41-I160 HydrophobicContact CG-CG2 3.85Å; Y150-I160 HydrophobicContact CD2-CD1 4.34Å; Y150-I160 HydrophobicContact CE2-CD1 3.98Å; N153-I160 HydrophobicContact CB-CD1 4.4Å; L154-I160 HydrophobicContact CD2-CD1 4.17Å; T158-I160 PolarHBondContact O-N 2.8Å; I160-S162 WeakPolarHBondContact CG2-OG 3.38Å
161F98.7Very high98.2Very high16 Ų1645.7 Ų45.77%0.0723%0.225CC..EExtended strand (participates in β ladder)trans-101.185171.3-67.5-89.2000109F8 A34 L35 L36 S37 T159 W164 F193F8-F161 HydrophobicContact CE2-CE2 4.12Å; F8-F161 HydrophobicContact CE2-CZ 4.25Å; F8-F161 AromaticContact CZ-CE2 3.82Å; F8-F161 HydrophobicContact CZ-CE2 3.82Å; F8-F161 HydrophobicContact CZ-CZ 4.02Å; A34-F161 HydrophobicContact CB-CD2 3.96Å; A34-F161 HydrophobicContact CB-CE2 3.73Å; L35-F161 PolarHBondContact O-N 3.42Å; L36-F161 HydrophobicContact CG-CB 4.15Å; S37-F161 PolarHBondContact N-O 3.01Å; T159-F161 HydrophobicContact CG2-CD2 4.22Å; T159-F161 HydrophobicContact CG2-CE2 3.45Å; T159-F161 VanDerWaalsContact CG2-CE2 3.45Å; T159-F161 HydrophobicContact CG2-CZ 3.84Å; F161-W164 HydrophobicContact CB-CB 4.23Å; F161-W164 HydrophobicContact CB-CD2 4.39Å; F161-W164 HydrophobicContact CB-CG 3.84Å; F161-W164 HydrophobicContact CD1-CD2 4.33Å; F161-W164 AromaticContact CD1-CE2 3.95Å; F161-W164 HydrophobicContact CD1-CZ2 4.31Å; F161-F193 HydrophobicContact CD1-CE1 4.03Å; F161-F193 AromaticContact CD1-CZ 3.99Å; F161-F193 HydrophobicContact CD1-CZ 3.99Å; F161-F193 AromaticContact CD2-CE1 3.95Å; F161-F193 HydrophobicContact CD2-CE1 3.95Å; F161-F193 AromaticContact CE1-CE1 3.92Å; F161-F193 HydrophobicContact CE1-CE1 3.92Å; F161-F193 HydrophobicContact CE1-CZ 4.11Å; F161-F193 AromaticContact CE2-CE1 3.83Å; F161-F193 HydrophobicContact CE2-CE1 3.83Å; F161-F193 HydrophobicContact CG-CE1 4.05Å; F161-F193 HydrophobicContact CG-CZ 4.25Å; F161-F193 AromaticContact CZ-CE1 3.82Å; F161-F193 HydrophobicContact CZ-CE1 3.82Å; F161-F193 HydrophobicContact CZ-CZ 4.48Å
162S97.8Very high98.2Very high40 Ų4040.6 Ų40.628%0.2820%0.202SC..EExtended strand (participates in β ladder)trans-78.6140.4178.7-610000111.1S37 P41 I160 W164S37-S162 CarbonylContact O-C 3.6Å; P41-S162 WeakPolarHBondContact CD-OG 3.46Å; I160-S162 WeakPolarHBondContact CG2-OG 3.38Å; S162-W164 VanDerWaalsContact C-N 3.33Å; S162-W164 VanDerWaalsContact O-CD1 3.31Å
163E98.4Very high98Very high80 Ų8043.7 Ų43.737%0.37422%0.216SC..THydrogen-bonded Turntrans60.739.9-176.2-55.9-17213800113.2S37 I185S37-E163 CarbonylContact O-C 3.54Å; S37-E163 VanDerWaalsContact O-CA 3.29Å; S37-E163 WeakPolarHBondContact O-CA 3.43Å; S37-E163 PolarHBondContact O-N 3.16Å; E163-I185 HydrophobicContact CB-CB 4.4Å; E163-I185 HydrophobicContact CB-CD1 4.43Å; E163-I185 VanDerWaalsContact O-CB 3.27Å; E163-I185 WeakPolarHBondContact O-CB 3.46Å; E163-I185 VanDerWaalsContact O-CG1 3.29Å; E163-I185 WeakPolarHBondContact O-CG1 3.45Å; E163-I185 PolarHBondContact O-N 3.05Å
164W98.8Very high97.9Very high22 Ų2248.2 Ų48.28%0.08324%0.24CC..EExtended strand (participates in β ladder)trans-109.7121.5168.8-76.366.3000110.1S37 K38 F161 S162 A182 L183 C184 V191 F193S37-W164 CarbonylContact C-O 3.43Å; S37-W164 PolarHBondContact O-N 3.48Å; K38-W164 WeakPolarHBondContact CA-O 3.33Å; K38-W164 PolarHBondContact N-O 2.83Å; F161-W164 HydrophobicContact CB-CB 4.23Å; F161-W164 HydrophobicContact CB-CD2 4.39Å; F161-W164 HydrophobicContact CB-CG 3.84Å; F161-W164 HydrophobicContact CD1-CD2 4.33Å; F161-W164 AromaticContact CD1-CE2 3.95Å; F161-W164 HydrophobicContact CD1-CZ2 4.31Å; S162-W164 VanDerWaalsContact C-N 3.33Å; S162-W164 VanDerWaalsContact O-CD1 3.31Å; W164-A182 HydrophobicContact CE3-CB 4.04Å; W164-L183 CarbonylContact C-O 3.45Å; W164-L183 WeakPolarHBondContact CA-O 3.37Å; W164-C184 HydrophobicContact CD2-CB 4.07Å; W164-C184 HydrophobicContact CE3-CB 4.18Å; W164-C184 HydrophobicContact CH2-CB 3.74Å; W164-C184 HydrophobicContact CZ2-CB 3.6Å; W164-C184 HydrophobicContact CZ3-CB 4.01Å; W164-V191 HydrophobicContact CH2-CB 4.22Å; W164-V191 HydrophobicContact CH2-CG2 3.62Å; W164-V191 HydrophobicContact CZ3-CB 3.8Å; W164-V191 HydrophobicContact CZ3-CG2 3.67Å; W164-F193 HydrophobicContact CD2-CZ 4.26Å; W164-F193 AromaticContact CE3-CE2 3.63Å; W164-F193 HydrophobicContact CE3-CE2 3.63Å; W164-F193 AromaticContact CE3-CZ 3.71Å; W164-F193 HydrophobicContact CE3-CZ 3.71Å; W164-F193 HydrophobicContact CH2-CZ 4.33Å; W164-F193 AromaticContact CZ3-CE2 3.62Å; W164-F193 HydrophobicContact CZ3-CE2 3.62Å; W164-F193 AromaticContact CZ3-CZ 3.77Å; W164-F193 HydrophobicContact CZ3-CZ 3.77Å
165Y98.8Very high97.7Very high1 Ų145.5 Ų45.50%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-93.7112.5177.7-172.1-88.2000109.9K38 L167 A182 L183 D221 V511 L514 E515 N518K38-Y165 HydrophobicContact CB-CD2 3.96Å; K38-Y165 HydrophobicContact CD-CD2 3.93Å; K38-Y165 HydrophobicContact CD-CE2 4.02Å; Y165-L167 HydrophobicContact CD1-CD2 4.1Å; Y165-L167 PolarHBondContact O-N 2.8Å; Y165-A182 CarbonylContact O-C 3.58Å; Y165-A182 VanDerWaalsContact O-CA 3.28Å; Y165-A182 WeakPolarHBondContact O-CA 2.99Å; Y165-L183 PolarHBondContact N-O 2.89Å; Y165-L183 PolarHBondContact O-N 3.15Å; Y165-D221 PolarHBondContact OH-OD1 2.82Å; Y165-V511 HydrophobicContact CD2-CG1 3.73Å; Y165-V511 HydrophobicContact CE2-CG1 3.93Å; Y165-V511 HydrophobicContact CG-CG1 4.43Å; Y165-L514 HydrophobicContact CD1-CD1 4.15Å; Y165-L514 HydrophobicContact CE1-CB 3.82Å; Y165-L514 HydrophobicContact CE1-CD1 3.92Å; Y165-L514 HydrophobicContact CE1-CG 4.47Å; Y165-E515 HydrophobicContact CE2-CG 3.94Å; Y165-N518 PolarHBondContact OH-ND2 2.82Å
166A98.9Very high97.7Very high9 Ų938.7 Ų38.77%0.07420%0.204CC..EExtended strand (participates in β ladder)trans-65.6123.5172.300000109.9I13 M225I13-A166 HydrophobicContact CD1-CB 4.05Å; I13-A166 HydrophobicContact CG2-CB 3.52Å; A166-M225 HydrophobicContact CB-CE 4.15Å; A166-M225 HydrophobicContact CB-SD 3.96Å
167L98.8Very high97.8Very high1 Ų136.5 Ų36.51%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-81.1-67-177.7-64.8170.3000109.2Y165 T181 L183 V190 L441 R443 L444 L514Y165-L167 HydrophobicContact CD1-CD2 4.1Å; Y165-L167 PolarHBondContact O-N 2.8Å; L167-T181 PolarHBondContact N-O 2.98Å; L167-L183 HydrophobicContact CD1-CB 4.35Å; L167-L183 HydrophobicContact CD2-CB 4.13Å; L167-L183 HydrophobicContact CG-CB 4.27Å; L167-V190 HydrophobicContact CD1-CG1 3.86Å; L167-V190 HydrophobicContact CD1-CG2 4.39Å; L167-L441 HydrophobicContact CD1-CD2 4.05Å; L167-R443 PolarHBondContact O-NH2 3.09Å; L167-L444 HydrophobicContact CD1-CD2 3.71Å; L167-L444 HydrophobicContact CD2-CB 4.36Å; L167-L444 HydrophobicContact CD2-CD2 4.34Å; L167-L514 HydrophobicContact CD2-CD1 3.79Å
168D98.7Very high97.9Very high13 Ų1329 Ų297%0.0716%0.159CC..EExtended strand (participates in β ladder)trans-153.8160-179.2-83.4-61.3000111.9C180 T181 R228 R443D168-C180 VanDerWaalsContact O-CA 3.28Å; D168-C180 WeakPolarHBondContact O-CA 3.32Å; D168-C180 WeakPolarHBondContact O-CB 3.45Å; D168-T181 PolarHBondContact O-N 3.46Å; D168-R228 IonicContact OD1-CZ 3.12Å; D168-R228 IonicContact OD1-NE 2.7Å; D168-R228 PolarHBondContact OD1-NE 3.21Å; D168-R228 IonicContact OD1-NH2 2.73Å; D168-R228 PolarHBondContact OD1-NH2 3.24Å; D168-R228 IonicContact OD2-CZ 3.61Å; D168-R228 IonicContact OD2-NE 3.45Å; D168-R228 PolarHBondContact OD2-NE 2.91Å; D168-R228 IonicContact OD2-NH2 2.71Å; D168-R443 IonicContact OD2-CZ 3.13Å; D168-R443 IonicContact OD2-NE 3.73Å; D168-R443 PolarHBondContact OD2-NE 2.74Å; D168-R443 VanDerWaalsContact OD2-NE 3.15Å; D168-R443 IonicContact OD2-NH2 3.94Å
169L98.8Very high97.9Very high12 Ų1228.5 Ų28.56%0.06316%0.155CC..EExtended strand (participates in β ladder)trans-70.2141.1172.7-63.1175.1000109.6V177 T198 L200 M225 A229 L383L169-V177 HydrophobicContact CB-CG1 4.23Å; L169-V177 HydrophobicContact CD1-CG1 4.44Å; L169-V177 HydrophobicContact CD1-CG2 4.22Å; L169-V177 HydrophobicContact CD2-CG1 3.98Å; L169-V177 HydrophobicContact CG-CG1 4.43Å; L169-T198 HydrophobicContact CD2-CG2 3.73Å; L169-L200 HydrophobicContact CD2-CD2 4.41Å; L169-M225 HydrophobicContact CG-CB 4.24Å; L169-A229 HydrophobicContact CB-CB 4.35Å; L169-A229 HydrophobicContact CD1-CB 3.9Å; L169-L383 HydrophobicContact CD1-CD1 3.89Å; L169-L383 HydrophobicContact CD1-CD2 4.31Å; L169-L383 HydrophobicContact CD2-CD1 4.34Å
170V98.7Very high97.9Very high0 Ų025.4 Ų25.40%014%0.136CC..EExtended strand (participates in β ladder)trans-94.5110.1172.21800000108.1V178 G179 T181 Y192 A432 D436 V437V170-V178 HydrophobicContact CB-CG2 4.49Å; V170-V178 HydrophobicContact CG1-CG2 4.06Å; V170-V178 WeakPolarHBondContact O-CG2 3.15Å; V170-V178 PolarHBondContact O-N 2.71Å; V170-G179 PolarHBondContact N-O 2.97Å; V170-T181 HydrophobicContact CG2-CG2 4.07Å; V170-Y192 HydrophobicContact CB-CD2 4.46Å; V170-Y192 HydrophobicContact CB-CE2 3.79Å; V170-Y192 HydrophobicContact CG1-CE2 4Å; V170-Y192 HydrophobicContact CG2-CD2 3.76Å; V170-Y192 HydrophobicContact CG2-CE2 3.59Å; V170-A432 HydrophobicContact CG1-CB 3.58Å; V170-D436 HydrophobicContact CG1-CB 4.34Å; V170-V437 HydrophobicContact CG1-CG2 4.09Å
171K97.5Very high97.9Very high66 Ų6623.4 Ų23.429%0.28713%0.126SC..EExtended strand (participates in β ladder)trans-96.3128173.6-77.6-179.761.3-178.10110A176 V177 A229 D436K171-A176 CarbonylContact C-O 3.58Å; K171-A176 VanDerWaalsContact CA-O 3.3Å; K171-A176 WeakPolarHBondContact CA-O 3.3Å; K171-V177 HydrophobicContact CG-CG2 4.08Å; K171-A229 HydrophobicContact CD-CB 3.83Å; K171-A229 WeakPolarHBondContact CD-O 3.35Å; K171-A229 WeakPolarHBondContact CE-O 3.33Å; K171-A229 HydrophobicContact CG-CB 4.48Å; K171-A229 PolarHBondContact NZ-O 3.47Å; K171-D436 VanDerWaalsContact O-CB 3.31Å; K171-D436 WeakPolarHBondContact O-CB 3.37Å
172N97.2Very high97.9Very high7 Ų722.7 Ų22.74%0.03712%0.123CC..  trans-75.8177.3171.774.110.7000111.4D174 G175 A176 V178 R430 D436N172-D174 PolarHBondContact O-N 3.32Å; N172-D174 WeakPolarHBondContact OD1-CA 3.33Å; N172-D174 PolarHBondContact OD1-N 2.84Å; N172-G175 PolarHBondContact O-N 2.93Å; N172-G175 PolarHBondContact OD1-N 2.95Å; N172-G175 VanDerWaalsContact OD1-N 3.12Å; N172-A176 PolarHBondContact N-O 3.48Å; N172-A176 PolarHBondContact OD1-N 3.11Å; N172-A176 PolarHBondContact OD1-O 3.17Å; N172-V178 HydrophobicContact CB-CG1 4.37Å; N172-V178 HydrophobicContact CB-CG2 4.24Å; N172-R430 PolarHBondContact ND2-O 2.81Å; N172-D436 WeakPolarHBondContact CA-OD2 3.4Å
173Q95.7Very high98Very high90 Ų9021.1 Ų21.142%0.42111%0.112SC..THydrogen-bonded Turntrans-70.2-13-178.5-43.284.311.900114.1G175 S433 D436Q173-G175 VanDerWaalsContact C-N 3.29Å; Q173-S433 PolarHBondContact NE2-OG 2.87Å; Q173-D436 VanDerWaalsContact CD-OD2 3.28Å; Q173-D436 PolarHBondContact NE2-OD2 3.11Å
174D95.1Very high98Very high95 Ų9517.7 Ų17.751%0.50810%0.096SC..THydrogen-bonded Turntrans-903.3173.8-60.1-32.4000111.6N172 A176 R430N172-D174 PolarHBondContact O-N 3.32Å; N172-D174 WeakPolarHBondContact OD1-CA 3.33Å; N172-D174 PolarHBondContact OD1-N 2.84Å; D174-A176 VanDerWaalsContact C-N 3.31Å; D174-A176 PolarHBondContact O-N 3.31Å; D174-R430 VanDerWaalsContact CG-CZ 3.48Å; D174-R430 VanDerWaalsContact CG-NH2 3.3Å; D174-R430 IonicContact OD1-CZ 3.48Å; D174-R430 IonicContact OD1-NE 3.29Å; D174-R430 IonicContact OD1-NH1 2.79Å; D174-R430 PolarHBondContact OD1-NH1 2.87Å; D174-R430 IonicContact OD1-NH2 2.72Å; D174-R430 PolarHBondContact OD1-NH2 3.44Å; D174-R430 WeakPolarHBondContact OD2-CB 3.45Å; D174-R430 IonicContact OD2-CZ 3.74Å; D174-R430 IonicContact OD2-NE 3.81Å; D174-R430 PolarHBondContact OD2-NE 2.8Å; D174-R430 IonicContact OD2-NH1 3.12Å; D174-R430 IonicContact OD2-NH2 3.08Å; D174-R430 PolarHBondContact OD2-NH2 3.12Å; D174-R430 VanDerWaalsContact OD2-NH2 3.08Å
175G94.6Very high98Very high30 Ų3017.6 Ų17.631%0.30910%0.097SC..SBendtrans81.72.9179.700000114.8N172 Q173N172-G175 PolarHBondContact O-N 2.93Å; N172-G175 PolarHBondContact OD1-N 2.95Å; N172-G175 VanDerWaalsContact OD1-N 3.12Å; Q173-G175 VanDerWaalsContact C-N 3.29Å
176A97.4Very high97.9Very high3 Ų323.2 Ų23.23%0.02512%0.124CC..  trans-79.4142178.500000111.6K171 N172 D174 V178 P381 L429K171-A176 CarbonylContact C-O 3.58Å; K171-A176 VanDerWaalsContact CA-O 3.3Å; K171-A176 WeakPolarHBondContact CA-O 3.3Å; N172-A176 PolarHBondContact N-O 3.48Å; N172-A176 PolarHBondContact OD1-N 3.11Å; N172-A176 PolarHBondContact OD1-O 3.17Å; D174-A176 VanDerWaalsContact C-N 3.31Å; D174-A176 PolarHBondContact O-N 3.31Å; A176-V178 HydrophobicContact CB-CG1 4.46Å; A176-P381 HydrophobicContact CB-CB 3.8Å; A176-P381 HydrophobicContact CB-CG 4.49Å; A176-L429 HydrophobicContact CB-CD1 4.14Å; A176-L429 HydrophobicContact CB-CD2 3.95Å; A176-L429 HydrophobicContact CB-CG 4.46Å
177V98.5Very high97.9Very high0 Ų025.9 Ų25.90%014%0.139CC..EExtended strand (participates in β ladder)trans-82.1119.2172.2176.30000108.9L169 K171 T198 V380 P381 G382 L383L169-V177 HydrophobicContact CB-CG1 4.23Å; L169-V177 HydrophobicContact CD1-CG1 4.44Å; L169-V177 HydrophobicContact CD1-CG2 4.22Å; L169-V177 HydrophobicContact CD2-CG1 3.98Å; L169-V177 HydrophobicContact CG-CG1 4.43Å; K171-V177 HydrophobicContact CG-CG2 4.08Å; V177-T198 HydrophobicContact CG1-CG2 4.41Å; V177-V380 HydrophobicContact CG2-CG1 4.49Å; V177-P381 PolarHBondContact N-O 2.96Å; V177-G382 WeakPolarHBondContact O-CA 3.33Å; V177-L383 HydrophobicContact CB-CB 4.15Å; V177-L383 HydrophobicContact CG1-CD1 4.4Å; V177-L383 HydrophobicContact CG2-CB 3.99Å; V177-L383 HydrophobicContact CG2-CD2 4.45Å
178V98.1Very high97.8Very high7 Ų726.9 Ų26.94%0.04215%0.149CC..EExtended strand (participates in β ladder)trans-118.320.2-173.9-65.90000113.1V170 N172 A176 Y192 A195 L429 A432V170-V178 HydrophobicContact CB-CG2 4.49Å; V170-V178 HydrophobicContact CG1-CG2 4.06Å; V170-V178 WeakPolarHBondContact O-CG2 3.15Å; V170-V178 PolarHBondContact O-N 2.71Å; N172-V178 HydrophobicContact CB-CG1 4.37Å; N172-V178 HydrophobicContact CB-CG2 4.24Å; A176-V178 HydrophobicContact CB-CG1 4.46Å; V178-Y192 PolarHBondContact O-OH 3.23Å; V178-Y192 VanDerWaalsContact O-OH 3.09Å; V178-A195 CarbonylContact C-O 3.6Å; V178-A195 WeakPolarHBondContact CA-O 3.37Å; V178-A195 PolarHBondContact O-N 3.06Å; V178-A195 VanDerWaalsContact O-O 3.05Å; V178-L429 HydrophobicContact CG1-CB 4.27Å; V178-L429 HydrophobicContact CG1-CD1 4.37Å; V178-A432 HydrophobicContact CG2-CB 3.81Å
179G98.5Very high97.7Very high0 Ų030.3 Ų30.30%017%0.165CC..EExtended strand (participates in β ladder)trans139.7-159.2178.900000112.9V170 F193 T198V170-G179 PolarHBondContact N-O 2.97Å; G179-F193 CarbonylContact C-O 3.5Å; G179-F193 WeakPolarHBondContact CA-O 3.36Å; G179-T198 WeakPolarHBondContact CA-OG1 3.49Å; G179-T198 PolarHBondContact N-OG1 3.05Å
180C98.8Very high97.7Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-144.6157.4172.967.10000111.5I13 D168 Y192 F193I13-C180 HydrophobicContact CD1-CB 3.84Å; D168-C180 VanDerWaalsContact O-CA 3.28Å; D168-C180 WeakPolarHBondContact O-CA 3.32Å; D168-C180 WeakPolarHBondContact O-CB 3.45Å; C180-Y192 WeakPolarHBondContact O-CD2 3.46Å; C180-F193 PolarHBondContact N-O 3.45Å; C180-F193 PolarHBondContact O-N 3.07Å
181T98.8Very high97.7Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-90145.8159.849.40000110L3 L167 D168 V170 V191 Y192 V437 S440 L441L3-T181 HydrophobicContact CD1-CG2 3.98Å; L167-T181 PolarHBondContact N-O 2.98Å; D168-T181 PolarHBondContact O-N 3.46Å; V170-T181 HydrophobicContact CG2-CG2 4.07Å; T181-V191 CarbonylContact C-O 3.24Å; T181-V191 WeakPolarHBondContact CA-O 3.27Å; T181-Y192 HydrophobicContact CG2-CD2 4.49Å; T181-V437 HydrophobicContact CG2-CG1 4.08Å; T181-S440 WeakPolarHBondContact CG2-OG 3.41Å; T181-S440 WeakPolarHBondContact OG1-CB 3.43Å; T181-S440 PolarHBondContact OG1-OG 3.37Å; T181-L441 HydrophobicContact CG2-CD2 4.06Å
182A98.8Very high97.7Very high0 Ų028.5 Ų28.50%016%0.158CC..EExtended strand (participates in β ladder)trans-143.1149.9177.200000111.9L36 W164 Y165 V190 V191 F193L36-A182 HydrophobicContact CD2-CB 3.6Å; W164-A182 HydrophobicContact CE3-CB 4.04Å; Y165-A182 CarbonylContact O-C 3.58Å; Y165-A182 VanDerWaalsContact O-CA 3.28Å; Y165-A182 WeakPolarHBondContact O-CA 2.99Å; A182-V190 WeakPolarHBondContact O-CA 3.25Å; A182-V191 PolarHBondContact N-O 2.97Å; A182-V191 PolarHBondContact O-N 2.95Å; A182-F193 HydrophobicContact CB-CD2 3.98Å; A182-F193 HydrophobicContact CB-CE2 3.8Å
183L98.6Very high97.8Very high8 Ų828.2 Ų28.24%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-102.5124.8177.2178.672.8000109.5W164 Y165 L167 I185 G188 E189 V190W164-L183 CarbonylContact C-O 3.45Å; W164-L183 WeakPolarHBondContact CA-O 3.37Å; Y165-L183 PolarHBondContact N-O 2.89Å; Y165-L183 PolarHBondContact O-N 3.15Å; L167-L183 HydrophobicContact CD1-CB 4.35Å; L167-L183 HydrophobicContact CD2-CB 4.13Å; L167-L183 HydrophobicContact CG-CB 4.27Å; L183-I185 PolarHBondContact O-N 3.47Å; L183-G188 VanDerWaalsContact CD1-O 3.22Å; L183-G188 WeakPolarHBondContact CD1-O 3.28Å; L183-E189 CarbonylContact C-O 3.58Å; L183-E189 WeakPolarHBondContact CA-O 3.33Å; L183-V190 HydrophobicContact CD1-CG2 3.67Å
184C98.6Very high97.9Very high8 Ų825.7 Ų25.75%0.05414%0.144CC..EExtended strand (participates in β ladder)trans-70.2113.7165.3-175.30000108.7W164 E186 T187 G188 E189W164-C184 HydrophobicContact CD2-CB 4.07Å; W164-C184 HydrophobicContact CE3-CB 4.18Å; W164-C184 HydrophobicContact CH2-CB 3.74Å; W164-C184 HydrophobicContact CZ2-CB 3.6Å; W164-C184 HydrophobicContact CZ3-CB 4.01Å; C184-E186 VanDerWaalsContact C-N 3.28Å; C184-E186 PolarHBondContact O-N 2.91Å; C184-T187 WeakPolarHBondContact CB-OG1 3.21Å; C184-T187 PolarHBondContact O-N 2.96Å; C184-T187 PolarHBondContact SG-OG1 2.7Å; C184-G188 VanDerWaalsContact O-CA 3.3Å; C184-G188 WeakPolarHBondContact O-CA 3.5Å; C184-G188 PolarHBondContact O-N 2.64Å; C184-E189 HydrophobicContact CB-CB 4.25Å; C184-E189 PolarHBondContact N-O 3.46Å
185I98.5Very high98.1Very high19 Ų1921.4 Ų21.410%0.09712%0.122CC..THydrogen-bonded Turntrans-65.5-36.3-176.6-62.9171.7000110.6K38 E163 L183 F506 V511K38-I185 HydrophobicContact CB-CD1 4.44Å; K38-I185 WeakPolarHBondContact O-CD1 3.38Å; E163-I185 HydrophobicContact CB-CB 4.4Å; E163-I185 HydrophobicContact CB-CD1 4.43Å; E163-I185 VanDerWaalsContact O-CB 3.27Å; E163-I185 WeakPolarHBondContact O-CB 3.46Å; E163-I185 VanDerWaalsContact O-CG1 3.29Å; E163-I185 WeakPolarHBondContact O-CG1 3.45Å; E163-I185 PolarHBondContact O-N 3.05Å; L183-I185 PolarHBondContact O-N 3.47Å; I185-F506 HydrophobicContact CG2-CD1 3.86Å; I185-F506 HydrophobicContact CG2-CE1 4.17Å; I185-F506 WeakPolarHBondContact O-CA 3.42Å; I185-F506 PolarHBondContact O-N 3.24Å; I185-V511 HydrophobicContact CD1-CG2 4.47Å; I185-V511 HydrophobicContact CG1-CG2 4.27Å
186E98Very high98.2Very high120 Ų12025.4 Ų25.456%0.56113%0.128SC*.THydrogen-bonded Turntrans-62.8-46.2-179.9176.5177-145.800112.3C184 E505 F506C184-E186 VanDerWaalsContact C-N 3.28Å; C184-E186 PolarHBondContact O-N 2.91Å; E186-E505 WeakPolarHBondContact O-CA 3.24Å; E186-E505 WeakPolarHBondContact O-CB 3.45Å; E186-F506 HydrophobicContact CB-CE2 3.9Å; E186-F506 HydrophobicContact CB-CZ 4.08Å; E186-F506 HydrophobicContact CG-CE2 3.84Å; E186-F506 HydrophobicContact CG-CZ 4.36Å
187T97.4Very high98.2Very high65 Ų6525.3 Ų25.340%0.39913%0.127SC..THydrogen-bonded Turntrans-107.8-17.2-169.365.10000114.4C184 E189C184-T187 WeakPolarHBondContact CB-OG1 3.21Å; C184-T187 PolarHBondContact O-N 2.96Å; C184-T187 PolarHBondContact SG-OG1 2.7Å; T187-E189 PolarHBondContact O-N 3.17Å; T187-E189 WeakPolarHBondContact OG1-CB 3.23Å; T187-E189 PolarHBondContact OG1-N 2.84Å
188G97Very high98.2Very high21 Ų2125.3 Ų25.322%0.21613%0.127CC..  trans75.94.5-169.600000114.6L183 C184L183-G188 VanDerWaalsContact CD1-O 3.22Å; L183-G188 WeakPolarHBondContact CD1-O 3.28Å; C184-G188 VanDerWaalsContact O-CA 3.3Å; C184-G188 WeakPolarHBondContact O-CA 3.5Å; C184-G188 PolarHBondContact O-N 2.64Å
189E97.5Very high98.2Very high85 Ų8525 Ų2540%0.39713%0.125SC..  trans-66.7133177.6-174.4-177.4-139.800111.1L183 C184 T187 V191L183-E189 CarbonylContact C-O 3.58Å; L183-E189 WeakPolarHBondContact CA-O 3.33Å; C184-E189 HydrophobicContact CB-CB 4.25Å; C184-E189 PolarHBondContact N-O 3.46Å; T187-E189 PolarHBondContact O-N 3.17Å; T187-E189 WeakPolarHBondContact OG1-CB 3.23Å; T187-E189 PolarHBondContact OG1-N 2.84Å; E189-V191 HydrophobicContact CG-CG2 3.94Å
190V98.2Very high98.2Very high26 Ų2625 Ų2516%0.15813%0.125CC..EExtended strand (participates in β ladder)trans-102.6131.8172.7-178.60000109.3L3 P4 L167 A182 L183 L441 L444L3-V190 HydrophobicContact CD1-CG1 3.88Å; L3-V190 HydrophobicContact CD2-CB 3.93Å; L3-V190 HydrophobicContact CD2-CG1 3.87Å; P4-V190 WeakPolarHBondContact CD-O 3.47Å; L167-V190 HydrophobicContact CD1-CG1 3.86Å; L167-V190 HydrophobicContact CD1-CG2 4.39Å; A182-V190 WeakPolarHBondContact O-CA 3.25Å; L183-V190 HydrophobicContact CD1-CG2 3.67Å; V190-L441 HydrophobicContact CG1-CD2 3.75Å; V190-L444 HydrophobicContact CG2-CD2 3.73Å
191V98.6Very high98.2Very high0 Ų025.4 Ų25.40%013%0.128CC..EExtended strand (participates in β ladder)trans-131.8144.7-177.5176.40000110.1P4 R6 W164 T181 A182 E189 F193P4-V191 HydrophobicContact CB-CG2 4.21Å; P4-V191 HydrophobicContact CG-CG2 4.43Å; P4-V191 WeakPolarHBondContact O-CG1 3.35Å; R6-V191 HydrophobicContact CB-CG1 4.35Å; R6-V191 HydrophobicContact CG-CG1 3.84Å; W164-V191 HydrophobicContact CH2-CB 4.22Å; W164-V191 HydrophobicContact CH2-CG2 3.62Å; W164-V191 HydrophobicContact CZ3-CB 3.8Å; W164-V191 HydrophobicContact CZ3-CG2 3.67Å; T181-V191 CarbonylContact C-O 3.24Å; T181-V191 WeakPolarHBondContact CA-O 3.27Å; A182-V191 PolarHBondContact N-O 2.97Å; A182-V191 PolarHBondContact O-N 2.95Å; E189-V191 HydrophobicContact CG-CG2 3.94Å; V191-F193 HydrophobicContact CB-CD2 4.29Å; V191-F193 HydrophobicContact CB-CE2 3.81Å; V191-F193 HydrophobicContact CG1-CD2 4.03Å; V191-F193 HydrophobicContact CG1-CE2 3.77Å; V191-F193 HydrophobicContact CG1-CZ 4.27Å
192Y98.6Very high98.2Very high15 Ų1526.9 Ų26.96%0.05914%0.138CC..EExtended strand (participates in β ladder)trans-91.4117167173.3-143000110.2P4 V5 R6 V170 V178 C180 T181 K194 V437P4-Y192 PolarHBondContact O-N 2.75Å; V5-Y192 CarbonylContact C-O 3.57Å; V5-Y192 WeakPolarHBondContact CA-O 3.38Å; V5-Y192 HydrophobicContact CG1-CD1 3.93Å; V5-Y192 HydrophobicContact CG1-CE1 4.44Å; V5-Y192 HydrophobicContact CG2-CD1 4.05Å; R6-Y192 PolarHBondContact N-O 3.45Å; V170-Y192 HydrophobicContact CB-CD2 4.46Å; V170-Y192 HydrophobicContact CB-CE2 3.79Å; V170-Y192 HydrophobicContact CG1-CE2 4Å; V170-Y192 HydrophobicContact CG2-CD2 3.76Å; V170-Y192 HydrophobicContact CG2-CE2 3.59Å; V178-Y192 PolarHBondContact O-OH 3.23Å; V178-Y192 VanDerWaalsContact O-OH 3.09Å; C180-Y192 WeakPolarHBondContact O-CD2 3.46Å; T181-Y192 HydrophobicContact CG2-CD2 4.49Å; Y192-K194 HydrophobicContact CD1-CB 4.46Å; Y192-K194 HydrophobicContact CE1-CB 3.88Å; Y192-K194 HydrophobicContact CE1-CG 4.27Å; Y192-K194 HydrophobicContact CE2-CB 4.34Å; Y192-V437 HydrophobicContact CD1-CG2 3.93Å; Y192-V437 HydrophobicContact CE1-CG2 4Å; Y192-V437 HydrophobicContact CG-CG1 4.44Å; Y192-V437 HydrophobicContact CG-CG2 4.27Å
193F98.7Very high98.2Very high0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-9495.3173.1-71.1-101.1000109R6 F8 V11 A34 L36 F161 W164 G179 C180 A182 V191R6-F193 HydrophobicContact CB-CD1 4.24Å; R6-F193 HydrophobicContact CB-CE1 4.41Å; R6-F193 CarbonylContact O-C 3.29Å; R6-F193 WeakPolarHBondContact O-CA 3.35Å; F8-F193 HydrophobicContact CE2-CD1 4.44Å; V11-F193 HydrophobicContact CG2-CB 3.86Å; A34-F193 HydrophobicContact CB-CD1 4.18Å; A34-F193 HydrophobicContact CB-CE1 4.47Å; L36-F193 HydrophobicContact CD1-CD1 4.1Å; L36-F193 HydrophobicContact CD1-CE1 4.25Å; L36-F193 HydrophobicContact CD2-CD1 4.31Å; L36-F193 HydrophobicContact CD2-CD2 3.93Å; L36-F193 HydrophobicContact CD2-CE1 4.26Å; L36-F193 HydrophobicContact CD2-CE2 3.9Å; L36-F193 HydrophobicContact CD2-CG 4.14Å; L36-F193 HydrophobicContact CD2-CZ 4.06Å; L36-F193 HydrophobicContact CG-CE1 4.34Å; L36-F193 HydrophobicContact CG-CZ 4.44Å; F161-F193 HydrophobicContact CD1-CE1 4.03Å; F161-F193 AromaticContact CD1-CZ 3.99Å; F161-F193 HydrophobicContact CD1-CZ 3.99Å; F161-F193 AromaticContact CD2-CE1 3.95Å; F161-F193 HydrophobicContact CD2-CE1 3.95Å; F161-F193 AromaticContact CE1-CE1 3.92Å; F161-F193 HydrophobicContact CE1-CE1 3.92Å; F161-F193 HydrophobicContact CE1-CZ 4.11Å; F161-F193 AromaticContact CE2-CE1 3.83Å; F161-F193 HydrophobicContact CE2-CE1 3.83Å; F161-F193 HydrophobicContact CG-CE1 4.05Å; F161-F193 HydrophobicContact CG-CZ 4.25Å; F161-F193 AromaticContact CZ-CE1 3.82Å; F161-F193 HydrophobicContact CZ-CE1 3.82Å; F161-F193 HydrophobicContact CZ-CZ 4.48Å; W164-F193 HydrophobicContact CD2-CZ 4.26Å; W164-F193 AromaticContact CE3-CE2 3.63Å; W164-F193 HydrophobicContact CE3-CE2 3.63Å; W164-F193 AromaticContact CE3-CZ 3.71Å; W164-F193 HydrophobicContact CE3-CZ 3.71Å; W164-F193 HydrophobicContact CH2-CZ 4.33Å; W164-F193 AromaticContact CZ3-CE2 3.62Å; W164-F193 HydrophobicContact CZ3-CE2 3.62Å; W164-F193 AromaticContact CZ3-CZ 3.77Å; W164-F193 HydrophobicContact CZ3-CZ 3.77Å; G179-F193 CarbonylContact C-O 3.5Å; G179-F193 WeakPolarHBondContact CA-O 3.36Å; C180-F193 PolarHBondContact N-O 3.45Å; C180-F193 PolarHBondContact O-N 3.07Å; A182-F193 HydrophobicContact CB-CD2 3.98Å; A182-F193 HydrophobicContact CB-CE2 3.8Å; V191-F193 HydrophobicContact CB-CD2 4.29Å; V191-F193 HydrophobicContact CB-CE2 3.81Å; V191-F193 HydrophobicContact CG1-CD2 4.03Å; V191-F193 HydrophobicContact CG1-CE2 3.77Å; V191-F193 HydrophobicContact CG1-CZ 4.27Å
194K98.4Very high98.2Very high37 Ų3727.3 Ų27.316%0.16114%0.144CC..EExtended strand (participates in β ladder)trans-77.3129.1178.6-176.4-176.3177.5-164.40109.9V5 R6 E7 F8 Y192 D431V5-K194 HydrophobicContact CG1-CB 4.09Å; R6-K194 PolarHBondContact O-N 2.82Å; E7-K194 WeakPolarHBondContact CA-O 3.5Å; E7-K194 HydrophobicContact CG-CB 4.5Å; E7-K194 HydrophobicContact CG-CD 4.23Å; E7-K194 HydrophobicContact CG-CG 4.48Å; E7-K194 WeakPolarHBondContact OE1-CD 3.48Å; E7-K194 WeakPolarHBondContact OE1-CE 3.36Å; E7-K194 IonicContact OE1-NZ 3.17Å; E7-K194 PolarHBondContact OE1-NZ 2.9Å; F8-K194 PolarHBondContact N-O 2.75Å; Y192-K194 HydrophobicContact CD1-CB 4.46Å; Y192-K194 HydrophobicContact CE1-CB 3.88Å; Y192-K194 HydrophobicContact CE1-CG 4.27Å; Y192-K194 HydrophobicContact CE2-CB 4.34Å; K194-D431 WeakPolarHBondContact CE-OD1 3.23Å; K194-D431 IonicContact NZ-OD1 3.82Å; K194-D431 PolarHBondContact NZ-OD1 3.48Å; K194-D431 IonicContact NZ-OD2 3.66Å; K194-D431 PolarHBondContact NZ-OD2 2.8Å
195A97.7Very high98.2Very high6 Ų626.9 Ų26.95%0.0514%0.141CC..EExtended strand (participates in β ladder)trans-153.5156.3176.500000113.6F8 V11 V178F8-A195 VanDerWaalsContact O-CA 3.31Å; F8-A195 WeakPolarHBondContact O-CA 3.06Å; V11-A195 HydrophobicContact CB-CB 3.96Å; V11-A195 HydrophobicContact CG2-CB 3.6Å; V178-A195 CarbonylContact C-O 3.6Å; V178-A195 WeakPolarHBondContact CA-O 3.37Å; V178-A195 PolarHBondContact O-N 3.06Å; V178-A195 VanDerWaalsContact O-O 3.05Å
196R96.5Very high98.2Very high114 Ų11426 Ų2643%0.4314%0.137SC..EExtended strand (participates in β ladder)trans-82.5-20.3175.1-62.8176.267.2-166.14.3112.8D9 I423 Q426D9-R196 PolarHBondContact O-N 2.81Å; R196-I423 HydrophobicContact CB-CD1 4.28Å; R196-Q426 PolarHBondContact O-NE2 3.32Å
197A97.8Very high98.2Very high0 Ų022.2 Ų22.20%012%0.117CC..EExtended strand (participates in β ladder)trans-137.3125.3174.500000110.3D9 A10 V11 F384 L419 I423D9-A197 PolarHBondContact O-N 2.92Å; A10-A197 CarbonylContact C-O 3.12Å; A10-A197 VanDerWaalsContact CA-O 3.26Å; A10-A197 WeakPolarHBondContact CA-O 3.36Å; A10-A197 HydrophobicContact CB-CB 4.32Å; V11-A197 PolarHBondContact N-O 2.9Å; A197-F384 HydrophobicContact CB-CD2 4.02Å; A197-F384 HydrophobicContact CB-CE2 3.68Å; A197-F384 HydrophobicContact CB-CZ 4.47Å; A197-L419 HydrophobicContact CB-CD1 3.56Å; A197-I423 HydrophobicContact CB-CD1 3.95Å; A197-I423 HydrophobicContact CB-CG1 4.2Å
198T98.8Very high98.3Very high0 Ų019.1 Ų19.10%010%0.098CC..EExtended strand (participates in β ladder)trans-112.9113.3174.7-56.60000108.7V11 I13 L169 V177 G179 G382 F384V11-T198 CarbonylContact O-C 3.33Å; V11-T198 WeakPolarHBondContact O-CA 3.26Å; I13-T198 HydrophobicContact CD1-CG2 3.85Å; I13-T198 HydrophobicContact CG1-CG2 4.4Å; L169-T198 HydrophobicContact CD2-CG2 3.73Å; V177-T198 HydrophobicContact CG1-CG2 4.41Å; G179-T198 WeakPolarHBondContact CA-OG1 3.49Å; G179-T198 PolarHBondContact N-OG1 3.05Å; T198-G382 PolarHBondContact N-O 2.98Å; T198-F384 PolarHBondContact O-N 3.23Å
199V98.9Very high98.3Very high0 Ų018.1 Ų18.10%09%0.088CC..EExtended strand (participates in β ladder)trans-102.2113.6-177-1720000109.9V11 V12 I13 F384 V386V11-V199 PolarHBondContact O-N 3.06Å; V12-V199 CarbonylContact C-O 3.52Å; V12-V199 WeakPolarHBondContact CA-O 3.37Å; V12-V199 HydrophobicContact CB-CB 4.45Å; V12-V199 HydrophobicContact CG1-CB 4.38Å; V12-V199 HydrophobicContact CG2-CB 4.08Å; V12-V199 HydrophobicContact CG2-CG2 4.2Å; I13-V199 PolarHBondContact N-O 3.19Å; V199-F384 HydrophobicContact CB-CB 4.26Å; V199-F384 HydrophobicContact CG1-CB 4.21Å; V199-F384 HydrophobicContact CG2-CB 3.98Å; V199-F384 HydrophobicContact CG2-CG 4.44Å; V199-V386 HydrophobicContact CG1-CG2 3.84Å
200L98.9Very high98.1Very high0 Ų018.7 Ų18.70%09%0.091CC..EExtended strand (participates in β ladder)trans-81.5119.1171.6-64.8178.3000110.3I13 L169 T202 M225 I360 L383 F384 A385 V386 I389I13-L200 HydrophobicContact CB-CD2 4.18Å; I13-L200 HydrophobicContact CD1-CD2 3.93Å; I13-L200 HydrophobicContact CG1-CD2 4.46Å; L169-L200 HydrophobicContact CD2-CD2 4.41Å; L200-T202 HydrophobicContact CD2-CG2 4.47Å; L200-M225 HydrophobicContact CD2-CE 3.66Å; L200-I360 HydrophobicContact CB-CD1 4.49Å; L200-I360 HydrophobicContact CD1-CD1 3.37Å; L200-L383 HydrophobicContact CD1-CD1 3.94Å; L200-L383 HydrophobicContact CG-CD1 4.09Å; L200-F384 PolarHBondContact N-O 3.45Å; L200-A385 HydrophobicContact CB-CB 4.23Å; L200-A385 CarbonylContact O-C 3.46Å; L200-A385 VanDerWaalsContact O-CA 3.23Å; L200-A385 WeakPolarHBondContact O-CA 3.48Å; L200-V386 PolarHBondContact O-N 2.96Å; L200-I389 HydrophobicContact CB-CG1 4.47Å; L200-I389 HydrophobicContact CB-CG2 4.36Å; L200-I389 WeakPolarHBondContact O-CG2 3.41Å
201A98.9Very high97.8Very high9 Ų919.1 Ų19.17%0.07410%0.095CC..  trans-134.138.7175.900000110.8V12 I13 G19 G203 V386V12-A201 HydrophobicContact CG1-CB 4.39Å; I13-A201 CarbonylContact O-C 3.43Å; I13-A201 VanDerWaalsContact O-C 3.29Å; I13-A201 WeakPolarHBondContact O-CA 3.46Å; I13-A201 PolarHBondContact O-N 2.98Å; G19-A201 VanDerWaalsContact CA-CB 3.45Å; A201-G203 VanDerWaalsContact C-N 3.31Å; A201-G203 PolarHBondContact O-N 3.3Å; A201-V386 HydrophobicContact CB-CG2 3.87Å
202T98.9Very high97.7Very high31 Ų3119.6 Ų19.619%0.1910%0.098CC..  trans-82.90.1-165.6510000115I13 L200 G222 M225I13-T202 HydrophobicContact CB-CG2 4.31Å; I13-T202 HydrophobicContact CG2-CG2 3.81Å; I13-T202 VanDerWaalsContact O-CG2 3.3Å; I13-T202 WeakPolarHBondContact O-CG2 3.39Å; I13-T202 PolarHBondContact O-N 3.17Å; L200-T202 HydrophobicContact CD2-CG2 4.47Å; T202-G222 VanDerWaalsContact OG1-CA 3.25Å; T202-G222 WeakPolarHBondContact OG1-CA 3.35Å; T202-G222 PolarHBondContact OG1-N 3.36Å; T202-M225 HydrophobicContact CG2-CE 4.32Å
203G98.7Very high97.6Very high17 Ų1719.8 Ų19.818%0.17510%0.101CC..  trans76.4-174.5-179.900000113.8A201A201-G203 VanDerWaalsContact C-N 3.31Å; A201-G203 PolarHBondContact O-N 3.3Å
204G98.3Very high97.6Very high0 Ų019.9 Ų19.90%010%0.101CC..  trans-79.1179.2179.500000114.9N218 E388G204-N218 CarbonylContact O-C 3.55Å; G204-N218 WeakPolarHBondContact O-CA 3.48Å; G204-N218 WeakPolarHBondContact O-CB 3.23Å; G204-N218 PolarHBondContact O-ND2 3.16Å; G204-E388 VanDerWaalsContact CA-CD 3.48Å; G204-E388 PolarHBondContact N-OE2 3.02Å
205A98.5Very high97.5Very high0 Ų019.5 Ų19.50%011%0.105CC..  trans-119.730.4-17400000113.5R207 I208 N218 W239 M356 T522A205-R207 PolarHBondContact O-N 2.74Å; A205-I208 WeakPolarHBondContact O-CG2 3.47Å; A205-I208 PolarHBondContact O-N 2.85Å; A205-I208 VanDerWaalsContact O-N 3.1Å; A205-N218 CarbonylContact C-O 3.26Å; A205-N218 WeakPolarHBondContact CA-O 3.44Å; A205-W239 HydrophobicContact CB-CH2 4.04Å; A205-M356 HydrophobicContact CB-SD 3.99Å; A205-T522 HydrophobicContact CB-CG2 3.33Å
206G98.2Very high97.5Very high0 Ų026.1 Ų26.10%013%0.134CC..G310 helixtrans-61-10.6-172.200000115.3I208 Y209 T212 N214G206-I208 PolarHBondContact O-N 3.39Å; G206-Y209 PolarHBondContact O-N 2.96Å; G206-T212 VanDerWaalsContact O-CB 3.29Å; G206-T212 WeakPolarHBondContact O-CB 3.42Å; G206-T212 WeakPolarHBondContact O-CG2 3.41Å; G206-T212 PolarHBondContact O-OG1 3.46Å; G206-T212 VanDerWaalsContact O-OG1 3.09Å; G206-N214 WeakPolarHBondContact CA-OD1 3.49Å; G206-N214 PolarHBondContact N-OD1 3.27Å
207R98.1Very high97.6Very high40 Ų4022.8 Ų22.815%0.15112%0.124CC..G310 helixtrans-74.61.9173.4-72.8-73171.1172.84.6114.8A205 Y209 T212 N214 A215 H216 N218 T219 Q464 L519A205-R207 PolarHBondContact O-N 2.74Å; R207-Y209 PolarHBondContact O-N 3.19Å; R207-T212 HydrophobicContact CG-CG2 4.49Å; R207-N214 VanDerWaalsContact CZ-O 3.31Å; R207-N214 PolarHBondContact NE-O 2.81Å; R207-N214 VanDerWaalsContact NE-O 3.14Å; R207-N214 PolarHBondContact NH2-O 2.85Å; R207-A215 VanDerWaalsContact CG-O 3.23Å; R207-A215 WeakPolarHBondContact CG-O 3.38Å; R207-A215 PolarHBondContact NE-O 2.8Å; R207-H216 PolarHBondContact NH1-CE1 2.85Å; R207-H216 VanDerWaalsContact NH1-CE1 3.35Å; R207-H216 PolarHBondContact NH2-CD2 2.99Å; R207-H216 PolarHBondContact NH2-NE2 3.23Å; R207-N218 VanDerWaalsContact CB-O 3.3Å; R207-N218 WeakPolarHBondContact CB-O 3.46Å; R207-N218 PolarHBondContact N-O 2.83Å; R207-T219 HydrophobicContact CB-CG2 4.47Å; R207-Q464 PolarHBondContact O-NE2 2.64Å; R207-L519 HydrophobicContact CB-CD2 3.93Å
208I98.6Very high97.7Very high0 Ų023.1 Ų23.10%013%0.126CC..G310 helixtrans-69.4-18.4164.169.5177.8000112.3A205 G206 W239 L463 Q464 M467 L519 T522 A523A205-I208 WeakPolarHBondContact O-CG2 3.47Å; A205-I208 PolarHBondContact O-N 2.85Å; A205-I208 VanDerWaalsContact O-N 3.1Å; G206-I208 PolarHBondContact O-N 3.39Å; I208-W239 HydrophobicContact CD1-CH2 3.8Å; I208-W239 HydrophobicContact CD1-CZ2 3.27Å; I208-W239 HydrophobicContact CG1-CH2 4.18Å; I208-W239 HydrophobicContact CG1-CZ2 4.13Å; I208-L463 HydrophobicContact CB-CD2 4.14Å; I208-Q464 WeakPolarHBondContact O-CA 3.44Å; I208-M467 HydrophobicContact CB-CG 4.3Å; I208-M467 HydrophobicContact CD1-CE 3.81Å; I208-M467 HydrophobicContact CG1-CE 4.45Å; I208-M467 HydrophobicContact CG1-CG 4.47Å; I208-M467 WeakPolarHBondContact O-CB 3.28Å; I208-M467 WeakPolarHBondContact O-CG 3.19Å; I208-L519 HydrophobicContact CB-CD2 4.43Å; I208-L519 HydrophobicContact CG2-CB 4.25Å; I208-L519 HydrophobicContact CG2-CD2 3.54Å; I208-L519 WeakPolarHBondContact CG2-O 3.45Å; I208-T522 HydrophobicContact CD1-CG2 4.28Å; I208-T522 HydrophobicContact CG2-CG2 4.13Å; I208-A523 HydrophobicContact CB-CB 4.25Å; I208-A523 HydrophobicContact CG2-CB 4.14Å
209Y97.6Very high97.7Very high0 Ų023.2 Ų23.20%013%0.127CC..SBendtrans-98149.3175.4-66.5-90000111.5G206 R207 W239 F241 C353 M467 F471G206-Y209 PolarHBondContact O-N 2.96Å; R207-Y209 PolarHBondContact O-N 3.19Å; Y209-W239 HydrophobicContact CD2-CE3 4.46Å; Y209-W239 AromaticContact CE2-CD2 3.62Å; Y209-W239 HydrophobicContact CE2-CD2 3.62Å; Y209-W239 AromaticContact CE2-CE2 3.99Å; Y209-W239 AromaticContact CE2-CE3 3.8Å; Y209-W239 HydrophobicContact CE2-CE3 3.8Å; Y209-W239 AromaticContact CE2-CG 3.95Å; Y209-W239 HydrophobicContact CE2-CG 3.95Å; Y209-W239 HydrophobicContact CE2-CZ2 4.48Å; Y209-W239 HydrophobicContact CE2-CZ3 4.28Å; Y209-F241 HydrophobicContact CE1-CE1 4.38Å; Y209-F241 AromaticContact CE1-CZ 3.96Å; Y209-F241 HydrophobicContact CE1-CZ 3.96Å; Y209-C353 HydrophobicContact CD2-CB 3.75Å; Y209-C353 WeakPolarHBondContact CD2-SG 3.3Å; Y209-C353 HydrophobicContact CE2-CB 4.4Å; Y209-C353 HydrophobicContact CG-CB 3.85Å; Y209-M467 HydrophobicContact CD1-CB 4.04Å; Y209-M467 HydrophobicContact CE1-CB 4.15Å; Y209-M467 HydrophobicContact CE1-CE 4.33Å; Y209-M467 HydrophobicContact CG-CB 4.49Å; Y209-F471 PolarHBondContact OH-O 3.43Å; Y209-F471 VanDerWaalsContact OH-O 3.08Å
210Q93.6Very high97.6Very high97 Ų9723.2 Ų23.245%0.45313%0.127SC..SBendtrans-65.6-44.3174.2-172.1-178.343.700111.9Q464 Q468Q210-Q464 HydrophobicContact CB-CB 4.16Å; Q210-Q464 PolarHBondContact N-O 3.01Å; Q210-Q468 HydrophobicContact CB-CB 3.97Å; Q210-Q468 HydrophobicContact CB-CG 4.13Å
211S92.4Very high97.6Very high35 Ų3523.9 Ų23.925%0.24513%0.131CC..SBendtrans-107113.9176.7-171.70000110.4C353S211-C353 WeakPolarHBondContact O-CB 3.37Å; S211-C353 PolarHBondContact O-N 3.47Å
212T96.2Very high97.6Very high11 Ų1123.4 Ų23.47%0.06713%0.127CC..BIsolated β-bridgetrans-151146-176.1-171.80000111.2G206 R207 N214 T352 C353G206-T212 VanDerWaalsContact O-CB 3.29Å; G206-T212 WeakPolarHBondContact O-CB 3.42Å; G206-T212 WeakPolarHBondContact O-CG2 3.41Å; G206-T212 PolarHBondContact O-OG1 3.46Å; G206-T212 VanDerWaalsContact O-OG1 3.09Å; R207-T212 HydrophobicContact CG-CG2 4.49Å; T212-N214 HydrophobicContact CG2-CB 4.08Å; T212-N214 PolarHBondContact O-N 3.17Å; T212-N214 WeakPolarHBondContact OG1-CB 3.48Å; T212-N214 PolarHBondContact OG1-N 2.88Å; T212-N214 PolarHBondContact OG1-ND2 3.34Å; T212-T352 VanDerWaalsContact CA-CG2 3.49Å; T212-C353 CarbonylContact C-O 3.53Å; T212-C353 VanDerWaalsContact CA-O 3.29Å; T212-C353 WeakPolarHBondContact CA-O 3.43Å; T212-C353 PolarHBondContact OG1-O 2.78Å; T212-C353 VanDerWaalsContact OG1-O 3.09Å
213T96.9Very high97.6Very high19 Ų1922 Ų2212%0.11712%0.118CC..SBendtrans-77.7-8.3171.974.30000112.1H45 G250 L252 T352 C353 H354H45-T213 PolarHBondContact CE1-O 2.9Å; H45-T213 VanDerWaalsContact CE1-O 3.29Å; T213-G250 WeakPolarHBondContact CA-O 3.48Å; T213-G250 WeakPolarHBondContact CG2-O 3.42Å; T213-L252 HydrophobicContact CG2-CB 4.19Å; T213-L252 HydrophobicContact CG2-CD1 4.45Å; T213-T352 HydrophobicContact CG2-CG2 3.81Å; T213-C353 PolarHBondContact N-O 3.38Å; T213-H354 HydrophobicContact CG2-CB 4.4Å; T213-H354 PolarHBondContact OG1-ND1 2.76Å
214N97.8Very high97.6Very high2 Ų221.1 Ų21.11%0.01111%0.11CC..SBendtrans-70.6147.9-171.6-80.9-126.1000111G206 R207 T212 N218 H354G206-N214 WeakPolarHBondContact CA-OD1 3.49Å; G206-N214 PolarHBondContact N-OD1 3.27Å; R207-N214 VanDerWaalsContact CZ-O 3.31Å; R207-N214 PolarHBondContact NE-O 2.81Å; R207-N214 VanDerWaalsContact NE-O 3.14Å; R207-N214 PolarHBondContact NH2-O 2.85Å; T212-N214 HydrophobicContact CG2-CB 4.08Å; T212-N214 PolarHBondContact O-N 3.17Å; T212-N214 WeakPolarHBondContact OG1-CB 3.48Å; T212-N214 PolarHBondContact OG1-N 2.88Å; T212-N214 PolarHBondContact OG1-ND2 3.34Å; N214-N218 HydrophobicContact CB-CB 3.78Å; N214-N218 WeakPolarHBondContact OD1-CB 3.33Å; N214-H354 PolarHBondContact ND2-O 3.25Å
215A97.4Very high97.7Very high28 Ų2821.2 Ų21.223%0.23111%0.11CC..  trans-63.1161172.700000110.5H45 R207 I217 N218H45-A215 HydrophobicContact CB-CB 4.26Å; H45-A215 PolarHBondContact ND1-N 3.03Å; R207-A215 VanDerWaalsContact CG-O 3.23Å; R207-A215 WeakPolarHBondContact CG-O 3.38Å; R207-A215 PolarHBondContact NE-O 2.8Å; A215-I217 HydrophobicContact CB-CG1 3.73Å; A215-I217 PolarHBondContact O-N 2.95Å; A215-I217 VanDerWaalsContact O-N 3.12Å; A215-N218 WeakPolarHBondContact CB-OD1 3.49Å; A215-N218 PolarHBondContact N-OD1 2.89Å; A215-N218 PolarHBondContact O-N 3.16Å; A215-N218 VanDerWaalsContact O-N 3.15Å
216H97.5Very high97.7Very high145 Ų14521.2 Ų21.267%0.67111%0.11SC*.THydrogen-bonded Turntrans-58.9-24.9176.3-75.8-85.6000112.6R207 N218 T219R207-H216 PolarHBondContact NH1-CE1 2.85Å; R207-H216 VanDerWaalsContact NH1-CE1 3.35Å; R207-H216 PolarHBondContact NH2-CD2 2.99Å; R207-H216 PolarHBondContact NH2-NE2 3.23Å; H216-N218 PolarHBondContact O-N 2.86Å; H216-T219 WeakPolarHBondContact O-CG2 3.27Å
217I98.1Very high97.7Very high44 Ų4421.8 Ų21.823%0.22611%0.113CC..THydrogen-bonded Turntrans-80.8-5.5179.860.8166.4000115.1K38 V39 A215 T219K38-I217 WeakPolarHBondContact CE-O 3.39Å; K38-I217 PolarHBondContact NZ-O 3.29Å; V39-I217 HydrophobicContact CG1-CD1 4.05Å; V39-I217 HydrophobicContact CG1-CG2 3.81Å; V39-I217 HydrophobicContact CG2-CD1 3.85Å; A215-I217 HydrophobicContact CB-CG1 3.73Å; A215-I217 PolarHBondContact O-N 2.95Å; A215-I217 VanDerWaalsContact O-N 3.12Å; I217-T219 VanDerWaalsContact C-N 3.3Å; I217-T219 PolarHBondContact O-N 2.73Å; I217-T219 PolarHBondContact O-OG1 3.23Å
218N98.7Very high97.6Very high8 Ų823.8 Ų23.84%0.04312%0.12CC..  trans-8471.1179.5-74.3106.6000111.6H45 G204 A205 R207 N214 A215 H216H45-N218 VanDerWaalsContact CB-OD1 3.28Å; H45-N218 WeakPolarHBondContact CB-OD1 3.41Å; H45-N218 PolarHBondContact CD2-OD1 3.2Å; G204-N218 CarbonylContact O-C 3.55Å; G204-N218 WeakPolarHBondContact O-CA 3.48Å; G204-N218 WeakPolarHBondContact O-CB 3.23Å; G204-N218 PolarHBondContact O-ND2 3.16Å; A205-N218 CarbonylContact C-O 3.26Å; A205-N218 WeakPolarHBondContact CA-O 3.44Å; R207-N218 VanDerWaalsContact CB-O 3.3Å; R207-N218 WeakPolarHBondContact CB-O 3.46Å; R207-N218 PolarHBondContact N-O 2.83Å; N214-N218 HydrophobicContact CB-CB 3.78Å; N214-N218 WeakPolarHBondContact OD1-CB 3.33Å; A215-N218 WeakPolarHBondContact CB-OD1 3.49Å; A215-N218 PolarHBondContact N-OD1 2.89Å; A215-N218 PolarHBondContact O-N 3.16Å; A215-N218 VanDerWaalsContact O-N 3.15Å; H216-N218 PolarHBondContact O-N 2.86Å
219T98.8Very high97.6Very high1 Ų124.3 Ų24.31%0.00612%0.124CC..SBendtrans-106.99.2-167.849.40000114.4K38 R207 H216 I217 D221 E515 N518 L519K38-T219 PolarHBondContact NZ-OG1 3.11Å; R207-T219 HydrophobicContact CB-CG2 4.47Å; H216-T219 WeakPolarHBondContact O-CG2 3.27Å; I217-T219 VanDerWaalsContact C-N 3.3Å; I217-T219 PolarHBondContact O-N 2.73Å; I217-T219 PolarHBondContact O-OG1 3.23Å; T219-D221 VanDerWaalsContact C-N 3.35Å; T219-D221 PolarHBondContact O-N 2.83Å; T219-D221 VanDerWaalsContact OG1-CG 3.23Å; T219-D221 PolarHBondContact OG1-OD1 3.34Å; T219-D221 PolarHBondContact OG1-OD2 2.8Å; T219-E515 HydrophobicContact CG2-CB 3.92Å; T219-E515 HydrophobicContact CG2-CG 4.03Å; T219-N518 WeakPolarHBondContact O-CB 3.32Å; T219-L519 HydrophobicContact CG2-CD1 4.29Å; T219-L519 HydrophobicContact CG2-CD2 4.44Å; T219-L519 HydrophobicContact CG2-CG 4.38Å
220G98.6Very high97.6Very high1 Ų125.2 Ų25.21%0.0113%0.134CC..  trans68.432.2177.700000113.6G222 V223 G224G220-G222 VanDerWaalsContact C-N 3.28Å; G220-G222 PolarHBondContact O-N 3.37Å; G220-V223 WeakPolarHBondContact O-CA 3.36Å; G220-V223 WeakPolarHBondContact O-CB 3.37Å; G220-V223 PolarHBondContact O-N 3.37Å; G220-G224 PolarHBondContact O-N 2.63Å
221D98.9Very high97.8Very high13 Ų1320.8 Ų20.87%0.0711%0.114CC..Hα-helixtrans-60.8-38.5-173.6-56.4-28000112.6K38 Y165 T219 G224 M225 N518K38-D221 WeakPolarHBondContact CD-OD2 3.27Å; K38-D221 WeakPolarHBondContact CE-OD2 3.3Å; K38-D221 IonicContact NZ-OD1 2.72Å; K38-D221 IonicContact NZ-OD2 3.92Å; K38-D221 PolarHBondContact NZ-OD2 2.63Å; Y165-D221 PolarHBondContact OH-OD1 2.82Å; T219-D221 VanDerWaalsContact C-N 3.35Å; T219-D221 PolarHBondContact O-N 2.83Å; T219-D221 VanDerWaalsContact OG1-CG 3.23Å; T219-D221 PolarHBondContact OG1-OD1 3.34Å; T219-D221 PolarHBondContact OG1-OD2 2.8Å; D221-G224 PolarHBondContact O-N 2.83Å; D221-M225 WeakPolarHBondContact O-CG 3.15Å; D221-M225 PolarHBondContact O-N 3.44Å; D221-N518 WeakPolarHBondContact CA-ND2 3.44Å; D221-N518 PolarHBondContact OD1-ND2 3.22Å
222G98.8Very high98Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-66.4-35.2172.400000113.6T202 G220 M225 A226T202-G222 VanDerWaalsContact OG1-CA 3.25Å; T202-G222 WeakPolarHBondContact OG1-CA 3.35Å; T202-G222 PolarHBondContact OG1-N 3.36Å; G220-G222 VanDerWaalsContact C-N 3.28Å; G220-G222 PolarHBondContact O-N 3.37Å; G222-M225 PolarHBondContact O-N 2.85Å; G222-A226 VanDerWaalsContact O-CB 3.26Å; G222-A226 WeakPolarHBondContact O-CB 3.34Å; G222-A226 PolarHBondContact O-N 3.41Å
223V98.8Very high98.2Very high0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-64.2-48.7176.2177.80000109.2G220 M225 A226 I227 V233 M236 M356 I389 T522G220-V223 WeakPolarHBondContact O-CA 3.36Å; G220-V223 WeakPolarHBondContact O-CB 3.37Å; G220-V223 PolarHBondContact O-N 3.37Å; V223-M225 PolarHBondContact O-N 3.12Å; V223-A226 PolarHBondContact O-N 2.78Å; V223-I227 HydrophobicContact CG1-CD1 3.74Å; V223-I227 HydrophobicContact CG1-CG1 4.43Å; V223-I227 WeakPolarHBondContact O-CB 3.48Å; V223-I227 WeakPolarHBondContact O-CG1 3.4Å; V223-I227 PolarHBondContact O-N 3.11Å; V223-V233 HydrophobicContact CG1-CG1 4.36Å; V223-M236 HydrophobicContact CG1-CE 4.05Å; V223-M236 HydrophobicContact CG2-CE 4.43Å; V223-M356 HydrophobicContact CG2-CE 3.97Å; V223-M356 HydrophobicContact CG2-SD 4.38Å; V223-I389 HydrophobicContact CB-CD1 4.3Å; V223-I389 HydrophobicContact CG2-CD1 3.35Å; V223-T522 HydrophobicContact CG1-CG2 4.24Å; V223-T522 WeakPolarHBondContact CG1-OG1 3.45Å
224G98.6Very high98.3Very high0 Ų017.8 Ų17.80%09%0.093CC..Hα-helixtrans-59.7-45.4177.100000112.6G220 D221 R228G220-G224 PolarHBondContact O-N 2.63Å; D221-G224 PolarHBondContact O-N 2.83Å; G224-R228 VanDerWaalsContact C-NH1 3.32Å; G224-R228 VanDerWaalsContact C-NH2 3.31Å; G224-R228 WeakPolarHBondContact O-CB 3.35Å; G224-R228 WeakPolarHBondContact O-CG 3.46Å; G224-R228 PolarHBondContact O-N 3.38Å; G224-R228 PolarHBondContact O-NH1 3.21Å
225M98.8Very high98.3Very high1 Ų117.7 Ų17.71%0.0059%0.093CC..Hα-helixtrans-62.1-43.5177-74.9-169.2-69.700112.2I13 A166 L169 L200 T202 D221 G222 V223 A229I13-M225 HydrophobicContact CD1-CE 4.36Å; I13-M225 HydrophobicContact CG2-CE 4.24Å; A166-M225 HydrophobicContact CB-CE 4.15Å; A166-M225 HydrophobicContact CB-SD 3.96Å; L169-M225 HydrophobicContact CG-CB 4.24Å; L200-M225 HydrophobicContact CD2-CE 3.66Å; T202-M225 HydrophobicContact CG2-CE 4.32Å; D221-M225 WeakPolarHBondContact O-CG 3.15Å; D221-M225 PolarHBondContact O-N 3.44Å; G222-M225 PolarHBondContact O-N 2.85Å; V223-M225 PolarHBondContact O-N 3.12Å; M225-A229 WeakPolarHBondContact O-CB 3.44Å; M225-A229 PolarHBondContact O-N 2.94Å
226A98.6Very high98.4Very high0 Ų016.3 Ų16.30%08%0.082CC..Hα-helixtrans-63.2-49.2178.100000111.7G222 V223 R228 A229 G230 V231 I360G222-A226 VanDerWaalsContact O-CB 3.26Å; G222-A226 WeakPolarHBondContact O-CB 3.34Å; G222-A226 PolarHBondContact O-N 3.41Å; V223-A226 PolarHBondContact O-N 2.78Å; A226-R228 PolarHBondContact O-N 2.85Å; A226-A229 CarbonylContact O-C 3.16Å; A226-A229 WeakPolarHBondContact O-CA 3.32Å; A226-A229 WeakPolarHBondContact O-CB 3.25Å; A226-A229 PolarHBondContact O-N 3.3Å; A226-G230 PolarHBondContact O-N 2.87Å; A226-V231 HydrophobicContact CB-CB 4.01Å; A226-V231 HydrophobicContact CB-CG1 4.3Å; A226-V231 WeakPolarHBondContact O-CB 3.44Å; A226-V231 PolarHBondContact O-N 2.95Å; A226-I360 HydrophobicContact CB-CD1 3.63Å; A226-I360 HydrophobicContact CB-CG1 3.95Å
227I98.4Very high98.4Very high12 Ų129.4 Ų9.46%0.0625%0.05CC..Hα-helixtrans-58.3-47.6178.7-75173.9000110.9V223 A229 G230 V233 E521 A525 Y559 P561V223-I227 HydrophobicContact CG1-CD1 3.74Å; V223-I227 HydrophobicContact CG1-CG1 4.43Å; V223-I227 WeakPolarHBondContact O-CB 3.48Å; V223-I227 WeakPolarHBondContact O-CG1 3.4Å; V223-I227 PolarHBondContact O-N 3.11Å; I227-A229 PolarHBondContact O-N 2.8Å; I227-G230 PolarHBondContact O-N 3.14Å; I227-V233 HydrophobicContact CD1-CG2 4.28Å; I227-V233 HydrophobicContact CG1-CG1 4.23Å; I227-V233 HydrophobicContact CG1-CG2 4.4Å; I227-E521 HydrophobicContact CD1-CB 3.96Å; I227-E521 HydrophobicContact CG2-CB 4.24Å; I227-E521 HydrophobicContact CG2-CG 4.29Å; I227-A525 HydrophobicContact CD1-CB 4.05Å; I227-Y559 HydrophobicContact CD1-CE1 4.48Å; I227-P561 HydrophobicContact CB-CB 4.33Å; I227-P561 HydrophobicContact CG2-CB 3.84Å; I227-P561 WeakPolarHBondContact O-CB 3.46Å
228R97.7Very high98.4Very high83 Ų837.3 Ų7.331%0.3134%0.039SC..Hα-helixtrans-65.2-28.5177.4-72.1-174.3-61.5-84.8-3113D168 G224 A226 G230 R443 N518D168-R228 IonicContact OD1-CZ 3.12Å; D168-R228 IonicContact OD1-NE 2.7Å; D168-R228 PolarHBondContact OD1-NE 3.21Å; D168-R228 IonicContact OD1-NH2 2.73Å; D168-R228 PolarHBondContact OD1-NH2 3.24Å; D168-R228 IonicContact OD2-CZ 3.61Å; D168-R228 IonicContact OD2-NE 3.45Å; D168-R228 PolarHBondContact OD2-NE 2.91Å; D168-R228 IonicContact OD2-NH2 2.71Å; G224-R228 VanDerWaalsContact C-NH1 3.32Å; G224-R228 VanDerWaalsContact C-NH2 3.31Å; G224-R228 WeakPolarHBondContact O-CB 3.35Å; G224-R228 WeakPolarHBondContact O-CG 3.46Å; G224-R228 PolarHBondContact O-N 3.38Å; G224-R228 PolarHBondContact O-NH1 3.21Å; A226-R228 PolarHBondContact O-N 2.85Å; R228-G230 PolarHBondContact O-N 2.94Å; R228-R443 VanDerWaalsContact CZ-CZ 3.44Å; R228-R443 VanDerWaalsContact NH2-NH2 3.18Å; R228-N518 PolarHBondContact NH1-OD1 3.39Å; R228-N518 PolarHBondContact NH2-OD1 3.31Å
229A97.4Very high98.4Very high10 Ų107 Ų78%0.0834%0.037CC..THydrogen-bonded Turntrans-79.82.4173.500000113.5L169 K171 M225 A226 I227 V231L169-A229 HydrophobicContact CB-CB 4.35Å; L169-A229 HydrophobicContact CD1-CB 3.9Å; K171-A229 HydrophobicContact CD-CB 3.83Å; K171-A229 WeakPolarHBondContact CD-O 3.35Å; K171-A229 WeakPolarHBondContact CE-O 3.33Å; K171-A229 HydrophobicContact CG-CB 4.48Å; K171-A229 PolarHBondContact NZ-O 3.47Å; M225-A229 WeakPolarHBondContact O-CB 3.44Å; M225-A229 PolarHBondContact O-N 2.94Å; A226-A229 CarbonylContact O-C 3.16Å; A226-A229 WeakPolarHBondContact O-CA 3.32Å; A226-A229 WeakPolarHBondContact O-CB 3.25Å; A226-A229 PolarHBondContact O-N 3.3Å; I227-A229 PolarHBondContact O-N 2.8Å; A229-V231 VanDerWaalsContact C-N 3.28Å; A229-V231 HydrophobicContact CB-CG2 4.17Å; A229-V231 PolarHBondContact O-N 3.46Å
230G96.9Very high98.4Very high19 Ų197 Ų720%0.1964%0.037CC..THydrogen-bonded Turntrans77.211.6-178.200000114A226 I227 R228 P561A226-G230 PolarHBondContact O-N 2.87Å; I227-G230 PolarHBondContact O-N 3.14Å; R228-G230 PolarHBondContact O-N 2.94Å; G230-P561 VanDerWaalsContact C-CG 3.47Å
231V98.1Very high98.4Very high5 Ų57.4 Ų7.43%0.034%0.039CC..  trans-85.6128.5-178.5179.40000109.2A226 A229 I360 V380 L383A226-V231 HydrophobicContact CB-CB 4.01Å; A226-V231 HydrophobicContact CB-CG1 4.3Å; A226-V231 WeakPolarHBondContact O-CB 3.44Å; A226-V231 PolarHBondContact O-N 2.95Å; A229-V231 VanDerWaalsContact C-N 3.28Å; A229-V231 HydrophobicContact CB-CG2 4.17Å; A229-V231 PolarHBondContact O-N 3.46Å; V231-I360 HydrophobicContact CG1-CG2 4.1Å; V231-V380 HydrophobicContact CG2-CG1 4.26Å; V231-L383 HydrophobicContact CB-CD2 4.38Å; V231-L383 HydrophobicContact CG1-CD2 4.01Å; V231-L383 HydrophobicContact CG2-CD2 3.67Å
232P98.1Very high98.3Very high1 Ų16.8 Ų6.81%0.0064%0.036CC..  trans-70.4156.8-177.931.4-36.6000112.1P361 L558 Y559 L560P232-P361 VanDerWaalsContact O-CD 3.28Å; P232-P361 WeakPolarHBondContact O-CD 3.25Å; P232-L558 HydrophobicContact CB-CD1 3.82Å; P232-L558 HydrophobicContact CB-CD2 4.16Å; P232-L558 HydrophobicContact CB-CG 3.87Å; P232-L558 HydrophobicContact CG-CD1 4.26Å; P232-L558 HydrophobicContact CG-CD2 4.4Å; P232-Y559 VanDerWaalsContact CA-O 3.25Å; P232-Y559 WeakPolarHBondContact CA-O 3.46Å; P232-Y559 VanDerWaalsContact CB-O 3.31Å; P232-Y559 WeakPolarHBondContact CB-O 3.36Å; P232-L560 HydrophobicContact CB-CD2 3.9Å
233V98.8Very high98.2Very high0 Ų06.8 Ų6.80%04%0.036CC..EExtended strand (participates in β ladder)trans-121.9138.9173.9-66.60000110.2V223 I227 M236 G359 A525 Y559V223-V233 HydrophobicContact CG1-CG1 4.36Å; I227-V233 HydrophobicContact CD1-CG2 4.28Å; I227-V233 HydrophobicContact CG1-CG1 4.23Å; I227-V233 HydrophobicContact CG1-CG2 4.4Å; V233-M236 HydrophobicContact CB-CG 3.76Å; V233-M236 HydrophobicContact CB-SD 3.85Å; V233-M236 HydrophobicContact CG2-CG 3.44Å; V233-M236 VanDerWaalsContact CG2-CG 3.44Å; V233-M236 HydrophobicContact CG2-SD 4.07Å; V233-G359 CarbonylContact C-O 3.57Å; V233-G359 WeakPolarHBondContact CA-O 3.49Å; V233-A525 HydrophobicContact CG2-CB 4.02Å; V233-Y559 HydrophobicContact CG2-CD1 3.93Å; V233-Y559 HydrophobicContact CG2-CG 4.42Å; V233-Y559 PolarHBondContact N-O 3.34Å; V233-Y559 PolarHBondContact O-N 3.49Å
234Q98.8Very high98.1Very high0 Ų06.8 Ų6.80%04%0.036CC..EExtended strand (participates in β ladder)trans-107.2141.6-170.2-171176.7-88.900110.7M236 G358 G359 P361 C391 H556 S557 L558Q234-M236 PolarHBondContact O-N 3.37Å; Q234-M236 VanDerWaalsContact O-N 3.07Å; Q234-G358 CarbonylContact O-C 3.58Å; Q234-G358 WeakPolarHBondContact O-CA 3.44Å; Q234-G359 PolarHBondContact N-O 2.98Å; Q234-G359 PolarHBondContact O-N 3.31Å; Q234-P361 HydrophobicContact CB-CB 4.05Å; Q234-P361 HydrophobicContact CB-CG 4.32Å; Q234-C391 HydrophobicContact CB-CB 4.06Å; Q234-C391 PolarHBondContact NE2-SG 2.92Å; Q234-H556 VanDerWaalsContact CD-CG 3.46Å; Q234-H556 HydrophobicContact CG-CB 3.61Å; Q234-H556 PolarHBondContact NE2-ND1 2.97Å; Q234-S557 CarbonylContact C-O 3.58Å; Q234-S557 VanDerWaalsContact CA-O 3.27Å; Q234-S557 WeakPolarHBondContact CA-O 3.29Å; Q234-L558 HydrophobicContact CB-CD1 4Å; Q234-L558 HydrophobicContact CG-CD1 4.44Å
235D98.8Very high98Very high0 Ų06.8 Ų6.80%04%0.036CC..  trans51.733.1170.9-62.7-22.6000114.9E237 M238 G358 R533 H556 S557D235-E237 VanDerWaalsContact CA-OE2 3.3Å; D235-E237 WeakPolarHBondContact CA-OE2 3.46Å; D235-E237 PolarHBondContact O-N 3.37Å; D235-M238 HydrophobicContact CB-CB 4.43Å; D235-M238 HydrophobicContact CB-CG 3.96Å; D235-M238 VanDerWaalsContact O-CB 3.31Å; D235-M238 WeakPolarHBondContact O-CB 3.41Å; D235-M238 PolarHBondContact O-N 3.3Å; D235-G358 WeakPolarHBondContact O-CA 3.4Å; D235-R533 IonicContact OD1-NH2 2.64Å; D235-H556 WeakPolarHBondContact OD1-CA 3.25Å; D235-H556 IonicContact OD1-ND1 2.98Å; D235-H556 IonicContact OD2-CE1 3.82Å; D235-H556 IonicContact OD2-CG 2.9Å; D235-H556 IonicContact OD2-ND1 3.34Å; D235-H556 PolarHBondContact OD2-ND1 2.84Å; D235-S557 PolarHBondContact N-O 2.69Å; D235-S557 PolarHBondContact OD1-N 2.97Å
236M98.7Very high97.9Very high0 Ų06.8 Ų6.80%04%0.036CC..THydrogen-bonded Turntrans-62.8-15.4-176.8-66.3-57.7-64.800113.9V223 V233 Q234 M238 W239 M356 T522 A525 T526V223-M236 HydrophobicContact CG1-CE 4.05Å; V223-M236 HydrophobicContact CG2-CE 4.43Å; V233-M236 HydrophobicContact CB-CG 3.76Å; V233-M236 HydrophobicContact CB-SD 3.85Å; V233-M236 HydrophobicContact CG2-CG 3.44Å; V233-M236 VanDerWaalsContact CG2-CG 3.44Å; V233-M236 HydrophobicContact CG2-SD 4.07Å; Q234-M236 PolarHBondContact O-N 3.37Å; Q234-M236 VanDerWaalsContact O-N 3.07Å; M236-M238 VanDerWaalsContact C-N 3.29Å; M236-W239 VanDerWaalsContact O-CD1 3.3Å; M236-W239 PolarHBondContact O-NE1 3.47Å; M236-M356 HydrophobicContact CE-SD 3.88Å; M236-T522 HydrophobicContact CE-CG2 3.76Å; M236-A525 HydrophobicContact CG-CB 4.32Å; M236-T526 WeakPolarHBondContact O-CG2 3.3Å; M236-T526 PolarHBondContact O-OG1 3.43Å
237E98.5Very high97.6Very high0 Ų06.9 Ų6.90%04%0.036CC..THydrogen-bonded Turntrans-74.7-17.7172.774.1-78.5-167.200113.5D235 W239 R475 S529 A530 R533 S557D235-E237 VanDerWaalsContact CA-OE2 3.3Å; D235-E237 WeakPolarHBondContact CA-OE2 3.46Å; D235-E237 PolarHBondContact O-N 3.37Å; E237-W239 PolarHBondContact O-N 3.43Å; E237-W239 VanDerWaalsContact O-N 3.12Å; E237-R475 VanDerWaalsContact O-CZ 3.31Å; E237-R475 PolarHBondContact O-NH1 2.93Å; E237-R475 PolarHBondContact O-NH2 3.47Å; E237-S529 VanDerWaalsContact OE2-CB 3.24Å; E237-S529 WeakPolarHBondContact OE2-CB 3.43Å; E237-A530 HydrophobicContact CB-CB 3.82Å; E237-R533 IonicContact OE1-CZ 2.71Å; E237-R533 VanDerWaalsContact OE1-CZ 3.27Å; E237-R533 IonicContact OE1-NE 3.59Å; E237-R533 PolarHBondContact OE1-NE 3.12Å; E237-R533 IonicContact OE1-NH2 2.98Å; E237-R533 PolarHBondContact OE1-NH2 3Å; E237-S557 WeakPolarHBondContact OE1-CB 3.08Å; E237-S557 PolarHBondContact OE1-OG 2.92Å
238M98.4Very high97.2Very high0 Ų08.8 Ų8.80%06%0.059CC..  trans-85.681.9-173.2-60.3-61.2175.400111.2I79 D235 M236 M357 A397 H540I79-M238 HydrophobicContact CD1-CE 3.83Å; D235-M238 HydrophobicContact CB-CB 4.43Å; D235-M238 HydrophobicContact CB-CG 3.96Å; D235-M238 VanDerWaalsContact O-CB 3.31Å; D235-M238 WeakPolarHBondContact O-CB 3.41Å; D235-M238 PolarHBondContact O-N 3.3Å; M236-M238 VanDerWaalsContact C-N 3.29Å; M238-M357 VanDerWaalsContact C-CE 3.46Å; M238-M357 HydrophobicContact CB-CB 3.93Å; M238-M357 HydrophobicContact CB-CE 3.96Å; M238-M357 WeakPolarHBondContact O-CE 3.49Å; M238-M357 PolarHBondContact O-N 3.36Å; M238-A397 HydrophobicContact CE-CB 4.07Å; M238-A397 HydrophobicContact SD-CB 3.76Å; M238-H540 HydrophobicContact CE-CB 3.99Å; M238-H540 HydrophobicContact SD-CB 3.68Å
239W98.4Very high96.8Very high0 Ų07.3 Ų7.30%06%0.064CC..EExtended strand (participates in β ladder)trans-101.4120.3176.9-74.890.9000111.7A205 I208 Y209 M236 E237 F241 M356 T522 T526 A539A205-W239 HydrophobicContact CB-CH2 4.04Å; I208-W239 HydrophobicContact CD1-CH2 3.8Å; I208-W239 HydrophobicContact CD1-CZ2 3.27Å; I208-W239 HydrophobicContact CG1-CH2 4.18Å; I208-W239 HydrophobicContact CG1-CZ2 4.13Å; Y209-W239 HydrophobicContact CD2-CE3 4.46Å; Y209-W239 AromaticContact CE2-CD2 3.62Å; Y209-W239 HydrophobicContact CE2-CD2 3.62Å; Y209-W239 AromaticContact CE2-CE2 3.99Å; Y209-W239 AromaticContact CE2-CE3 3.8Å; Y209-W239 HydrophobicContact CE2-CE3 3.8Å; Y209-W239 AromaticContact CE2-CG 3.95Å; Y209-W239 HydrophobicContact CE2-CG 3.95Å; Y209-W239 HydrophobicContact CE2-CZ2 4.48Å; Y209-W239 HydrophobicContact CE2-CZ3 4.28Å; M236-W239 VanDerWaalsContact O-CD1 3.3Å; M236-W239 PolarHBondContact O-NE1 3.47Å; E237-W239 PolarHBondContact O-N 3.43Å; E237-W239 VanDerWaalsContact O-N 3.12Å; W239-F241 HydrophobicContact CB-CE2 4.02Å; W239-F241 HydrophobicContact CB-CZ 4.47Å; W239-F241 WeakPolarHBondContact O-CD2 3.37Å; W239-M356 HydrophobicContact CE3-CB 4.25Å; W239-M356 HydrophobicContact CH2-CB 3.9Å; W239-M356 HydrophobicContact CH2-CG 3.79Å; W239-M356 HydrophobicContact CH2-SD 3.8Å; W239-M356 HydrophobicContact CZ2-CB 4.46Å; W239-M356 HydrophobicContact CZ2-CG 3.91Å; W239-M356 HydrophobicContact CZ2-SD 3.97Å; W239-M356 HydrophobicContact CZ3-CB 3.76Å; W239-M356 HydrophobicContact CZ3-CG 4.12Å; W239-T522 HydrophobicContact CZ2-CG2 4.22Å; W239-T526 PolarHBondContact NE1-OG1 3.04Å; W239-T526 VanDerWaalsContact NE1-OG1 3.13Å; W239-A539 WeakPolarHBondContact O-CB 3.32Å
240Q98.3Very high96.6Very high2 Ų27 Ų71%0.0096%0.062CC..EExtended strand (participates in β ladder)trans-84124175.4173.6167101.800110.6R286 H354 Y355 M357 N398 R399Q240-R286 VanDerWaalsContact CD-CD 3.42Å; Q240-R286 HydrophobicContact CG-CB 4.5Å; Q240-R286 VanDerWaalsContact OE1-CD 3.28Å; Q240-H354 WeakPolarHBondContact O-CB 3.41Å; Q240-H354 PolarHBondContact O-N 3.06Å; Q240-Y355 PolarHBondContact N-O 3.23Å; Q240-Y355 PolarHBondContact O-N 2.86Å; Q240-M357 HydrophobicContact CB-CE 3.74Å; Q240-M357 HydrophobicContact CB-SD 3.38Å; Q240-M357 WeakPolarHBondContact CB-SD 3.46Å; Q240-N398 PolarHBondContact NE2-OD1 3.39Å; Q240-R399 PolarHBondContact NE2-O 3.49Å
241F97.6Very high96.5Very high9 Ų97.6 Ų7.64%0.0396%0.062CC..EExtended strand (participates in β ladder)trans-94.4116.3167.5-63.5-94.5000108.3Y209 W239 A290 P351 T352 C353 V473Y209-F241 HydrophobicContact CE1-CE1 4.38Å; Y209-F241 AromaticContact CE1-CZ 3.96Å; Y209-F241 HydrophobicContact CE1-CZ 3.96Å; W239-F241 HydrophobicContact CB-CE2 4.02Å; W239-F241 HydrophobicContact CB-CZ 4.47Å; W239-F241 WeakPolarHBondContact O-CD2 3.37Å; F241-A290 HydrophobicContact CB-CB 4.4Å; F241-P351 HydrophobicContact CB-CB 4.25Å; F241-T352 CarbonylContact C-O 3.4Å; F241-T352 VanDerWaalsContact CA-O 3.27Å; F241-T352 WeakPolarHBondContact CA-O 3.4Å; F241-C353 HydrophobicContact CD1-CB 4.25Å; F241-C353 HydrophobicContact CE1-CB 3.98Å; F241-V473 HydrophobicContact CB-CG2 3.79Å; F241-V473 HydrophobicContact CD1-CG2 3.85Å; F241-V473 HydrophobicContact CD2-CG2 3.85Å; F241-V473 HydrophobicContact CE1-CG2 4.46Å; F241-V473 HydrophobicContact CE2-CG2 4.46Å; F241-V473 HydrophobicContact CG-CG2 3.53Å
242H97.4Very high96.3Very high1 Ų18.5 Ų8.51%0.0057%0.066CC..EExtended strand (participates in β ladder)trans-69.3132.4174.5-168.8-89.5000108.9T244 L252 V253 R286 P351 T352 H354H242-T244 PolarHBondContact CE1-OG1 2.68Å; H242-T244 PolarHBondContact ND1-N 2.97Å; H242-T244 VanDerWaalsContact ND1-N 3.19Å; H242-T244 PolarHBondContact ND1-OG1 3.35Å; H242-T244 PolarHBondContact O-N 2.83Å; H242-T244 VanDerWaalsContact O-N 3.16Å; H242-L252 HydrophobicContact CB-CD1 4.3Å; H242-L252 WeakPolarHBondContact ND1-CD1 3.37Å; H242-V253 PolarHBondContact CE1-O 3.26Å; H242-R286 PolarHBondContact NE2-NH2 2.84Å; H242-P351 VanDerWaalsContact O-CA 3.27Å; H242-P351 WeakPolarHBondContact O-CA 3.19Å; H242-T352 PolarHBondContact N-O 2.71Å; H242-T352 PolarHBondContact O-N 3.15Å; H242-H354 HydrophobicContact CB-CB 3.59Å
243P96.9Very high96.2Very high0 Ų08.5 Ų8.50%07%0.066CC..EExtended strand (participates in β ladder)trans-59.3-32-174.7-28.136.2000114.5R286 V289 I293 I350P243-R286 HydrophobicContact CG-CB 4.4Å; P243-R286 HydrophobicContact CG-CG 4.47Å; P243-V289 HydrophobicContact CB-CB 4.09Å; P243-V289 HydrophobicContact CB-CG1 3.65Å; P243-V289 HydrophobicContact CG-CB 3.75Å; P243-V289 HydrophobicContact CG-CG1 3.87Å; P243-I293 HydrophobicContact CB-CD1 3.93Å; P243-I293 VanDerWaalsContact O-CD1 3.32Å; P243-I293 WeakPolarHBondContact O-CD1 3.46Å; P243-I350 CarbonylContact O-C 3.52Å
244T97.3Very high96Very high0 Ų08.7 Ų8.70%07%0.067CC..EExtended strand (participates in β ladder)trans-122.767.5-169.252.80000113.2H242 V253 L264 L313 V349H242-T244 PolarHBondContact CE1-OG1 2.68Å; H242-T244 PolarHBondContact ND1-N 2.97Å; H242-T244 VanDerWaalsContact ND1-N 3.19Å; H242-T244 PolarHBondContact ND1-OG1 3.35Å; H242-T244 PolarHBondContact O-N 2.83Å; H242-T244 VanDerWaalsContact O-N 3.16Å; T244-V253 WeakPolarHBondContact O-CB 3.39Å; T244-V253 PolarHBondContact O-N 3.32Å; T244-V253 PolarHBondContact OG1-O 3.09Å; T244-L264 HydrophobicContact CG2-CD2 3.89Å; T244-L313 HydrophobicContact CG2-CD2 4.29Å; T244-V349 HydrophobicContact CG2-CB 4.11Å; T244-V349 HydrophobicContact CG2-CG1 4.17Å; T244-V349 HydrophobicContact CG2-CG2 4.04Å
245G96.8Very high95.8Very high0 Ų08.7 Ų8.70%07%0.067CC..EExtended strand (participates in β ladder)trans-83.7140.8158.200000109.9A247 V251 V349 I350G245-A247 PolarHBondContact O-N 2.86Å; G245-V251 CarbonylContact C-O 3.51Å; G245-V251 WeakPolarHBondContact CA-O 3.34Å; G245-V349 CarbonylContact O-C 3.57Å; G245-V349 VanDerWaalsContact O-CA 3.24Å; G245-V349 WeakPolarHBondContact O-CA 3.34Å; G245-I350 PolarHBondContact N-O 2.85Å; G245-I350 PolarHBondContact O-N 3.46Å
246I95.5Very high95.3Very high1 Ų18.7 Ų8.71%0.0057%0.067CC..EExtended strand (participates in β ladder)trans-57.8124.6175.2-66.4-178.1000108.4G248 A249 G250 V251 V253 F337 A338 I347I246-G248 PolarHBondContact O-N 2.81Å; I246-A249 HydrophobicContact CG2-CB 4.21Å; I246-A249 PolarHBondContact O-N 2.81Å; I246-G250 WeakPolarHBondContact O-CA 3.35Å; I246-G250 PolarHBondContact O-N 3.12Å; I246-V251 HydrophobicContact CB-CB 4.47Å; I246-V251 HydrophobicContact CD1-CB 4.14Å; I246-V251 HydrophobicContact CD1-CG1 4.37Å; I246-V251 HydrophobicContact CG1-CB 4.42Å; I246-V251 PolarHBondContact N-O 2.85Å; I246-V253 HydrophobicContact CD1-CG2 4.17Å; I246-V253 HydrophobicContact CG1-CG2 3.52Å; I246-F337 HydrophobicContact CD1-CB 3.98Å; I246-A338 HydrophobicContact CD1-CB 4.36Å; I246-A338 HydrophobicContact CG2-CB 3.78Å; I246-I347 HydrophobicContact CG1-CG2 4.38Å
247A93Very high95.1Very high2 Ų28.7 Ų8.72%0.0177%0.067CC..THydrogen-bonded Turntrans-56.1135178.900000110.6G245 A249 W307 H310 P348 I350G245-A247 PolarHBondContact O-N 2.86Å; A247-A249 VanDerWaalsContact C-N 3.34Å; A247-A249 PolarHBondContact O-N 3.49Å; A247-A249 VanDerWaalsContact O-N 3.13Å; A247-W307 HydrophobicContact CB-CE3 4.34Å; A247-H310 HydrophobicContact CB-CB 3.88Å; A247-P348 HydrophobicContact CB-CB 4.15Å; A247-P348 PolarHBondContact N-O 3.22Å; A247-I350 HydrophobicContact CB-CG2 4.41Å
248G88.8Confident95Very high51 Ų519 Ų953%0.5267%0.068SC..THydrogen-bonded Turntrans83.1-67.1-172.800000113.3I246 G250I246-G248 PolarHBondContact O-N 2.81Å; G248-G250 PolarHBondContact O-N 2.89Å
249A90.8Very high94.8Very high53 Ų539.5 Ų9.544%0.4387%0.074SC..THydrogen-bonded Turntrans-73.1-26-172.700000114.5I246 A247 V251 F337I246-A249 HydrophobicContact CG2-CB 4.21Å; I246-A249 PolarHBondContact O-N 2.81Å; A247-A249 VanDerWaalsContact C-N 3.34Å; A247-A249 PolarHBondContact O-N 3.49Å; A247-A249 VanDerWaalsContact O-N 3.13Å; A249-V251 HydrophobicContact CB-CG2 4.13Å; A249-V251 PolarHBondContact O-N 3.24Å; A249-F337 HydrophobicContact CB-CB 4.05Å; A249-F337 HydrophobicContact CB-CD1 4.4Å
250G93Very high94.5Very high2 Ų211.3 Ų11.32%0.0218%0.082CC..  trans72.72.9-178.200000114.9T213 I246 G248 L252T213-G250 WeakPolarHBondContact CA-O 3.48Å; T213-G250 WeakPolarHBondContact CG2-O 3.42Å; I246-G250 WeakPolarHBondContact O-CA 3.35Å; I246-G250 PolarHBondContact O-N 3.12Å; G248-G250 PolarHBondContact O-N 2.89Å; G250-L252 PolarHBondContact O-N 3.13Å
251V93.8Very high94.3Very high33 Ų3312.8 Ų12.820%0.210%0.098CC..  trans-63.4135.1179.4175.80000110.3G245 I246 A249 V253 L333 F337G245-V251 CarbonylContact C-O 3.51Å; G245-V251 WeakPolarHBondContact CA-O 3.34Å; I246-V251 HydrophobicContact CB-CB 4.47Å; I246-V251 HydrophobicContact CD1-CB 4.14Å; I246-V251 HydrophobicContact CD1-CG1 4.37Å; I246-V251 HydrophobicContact CG1-CB 4.42Å; I246-V251 PolarHBondContact N-O 2.85Å; A249-V251 HydrophobicContact CB-CG2 4.13Å; A249-V251 PolarHBondContact O-N 3.24Å; V251-V253 PolarHBondContact O-N 2.87Å; V251-L333 HydrophobicContact CG1-CB 4.3Å; V251-L333 HydrophobicContact CG1-CD1 4.01Å; V251-L333 HydrophobicContact CG1-CD2 4.03Å; V251-L333 HydrophobicContact CG1-CG 4.34Å; V251-F337 HydrophobicContact CB-CD2 4.4Å; V251-F337 HydrophobicContact CG1-CD2 4.22Å; V251-F337 HydrophobicContact CG2-CB 4.38Å; V251-F337 HydrophobicContact CG2-CD1 4.15Å; V251-F337 HydrophobicContact CG2-CD2 3.89Å; V251-F337 HydrophobicContact CG2-CE1 4.42Å; V251-F337 HydrophobicContact CG2-CE2 4.18Å; V251-F337 HydrophobicContact CG2-CG 3.88Å; V251-F337 HydrophobicContact CG2-CZ 4.43Å
252L95.7Very high94.3Very high23 Ų2312.4 Ų12.412%0.1210%0.097CC..BIsolated β-bridgetrans-63.8128.8-180176.567.8000111.7Q50 T213 H242 G250Q50-L252 PolarHBondContact NE2-O 2.89Å; T213-L252 HydrophobicContact CG2-CB 4.19Å; T213-L252 HydrophobicContact CG2-CD1 4.45Å; H242-L252 HydrophobicContact CB-CD1 4.3Å; H242-L252 WeakPolarHBondContact ND1-CD1 3.37Å; G250-L252 PolarHBondContact O-N 3.13Å
253V95.5Very high94.3Very high1 Ų114.7 Ų14.71%0.00611%0.106CC..  trans-103.5115.1158.7-175.40000108.6H242 T244 I246 V251 E255 L313 I330 I347 V349H242-V253 PolarHBondContact CE1-O 3.26Å; T244-V253 WeakPolarHBondContact O-CB 3.39Å; T244-V253 PolarHBondContact O-N 3.32Å; T244-V253 PolarHBondContact OG1-O 3.09Å; I246-V253 HydrophobicContact CD1-CG2 4.17Å; I246-V253 HydrophobicContact CG1-CG2 3.52Å; V251-V253 PolarHBondContact O-N 2.87Å; V253-E255 PolarHBondContact O-N 3.46Å; V253-L313 HydrophobicContact CB-CD2 4.49Å; V253-L313 HydrophobicContact CG1-CD2 3.58Å; V253-I330 HydrophobicContact CG1-CD1 4.24Å; V253-I330 HydrophobicContact CG1-CG2 3.74Å; V253-I347 HydrophobicContact CG1-CD1 4.14Å; V253-I347 HydrophobicContact CG2-CG2 4.29Å; V253-V349 HydrophobicContact CG2-CG1 4.44Å
254T93.5Very high94.4Very high4 Ų414.7 Ų14.73%0.02511%0.106CC..  trans-51.4138.3-174.1-172.50000112.9Q50 G51 G256 C257 L327 I330Q50-T254 VanDerWaalsContact OE1-CB 3.26Å; G51-T254 VanDerWaalsContact CA-OG1 3.3Å; G51-T254 WeakPolarHBondContact CA-OG1 3.42Å; G51-T254 PolarHBondContact N-OG1 3.37Å; T254-G256 PolarHBondContact O-N 2.79Å; T254-G256 VanDerWaalsContact O-N 3.14Å; T254-G256 PolarHBondContact OG1-N 3.01Å; T254-C257 VanDerWaalsContact O-CB 3.26Å; T254-C257 WeakPolarHBondContact O-CB 3.2Å; T254-C257 PolarHBondContact O-N 2.88Å; T254-C257 PolarHBondContact O-SG 3.14Å; T254-L327 HydrophobicContact CG2-CD2 3.86Å; T254-I330 HydrophobicContact CG2-CD1 3.84Å; T254-I330 HydrophobicContact CG2-CG1 3.65Å
255E94.3Very high94.5Very high1 Ų115.7 Ų15.71%0.00511%0.111CC..THydrogen-bonded Turntrans-58.2-20.1165.7175.2165124.200112.8F119 G120 V253 C257 R258 G259 R286F119-E255 HydrophobicContact CD1-CG 4.1Å; F119-E255 WeakPolarHBondContact CD1-OE1 3.2Å; F119-E255 HydrophobicContact CE1-CB 3.81Å; F119-E255 HydrophobicContact CE1-CG 3.84Å; F119-E255 WeakPolarHBondContact CE1-OE1 3.31Å; F119-E255 HydrophobicContact CE2-CB 4.19Å; F119-E255 HydrophobicContact CE2-CG 4.33Å; F119-E255 HydrophobicContact CG-CG 4.45Å; F119-E255 HydrophobicContact CZ-CB 3.6Å; F119-E255 HydrophobicContact CZ-CG 3.98Å; G120-E255 VanDerWaalsContact CA-OE1 3.23Å; G120-E255 WeakPolarHBondContact CA-OE1 3.33Å; G120-E255 PolarHBondContact N-OE1 3.32Å; V253-E255 PolarHBondContact O-N 3.46Å; E255-C257 PolarHBondContact O-N 2.92Å; E255-C257 VanDerWaalsContact O-N 3.15Å; E255-R258 VanDerWaalsContact CB-NH2 3.34Å; E255-R258 VanDerWaalsContact CD-NH2 3.31Å; E255-R258 WeakPolarHBondContact O-CB 3.39Å; E255-R258 PolarHBondContact O-N 3.43Å; E255-R258 IonicContact OE2-CZ 3Å; E255-R258 IonicContact OE2-NH1 2.95Å; E255-R258 IonicContact OE2-NH2 3.36Å; E255-R258 PolarHBondContact OE2-NH2 3.37Å; E255-G259 PolarHBondContact O-N 2.88Å; E255-R286 IonicContact OE1-NE 2.75Å; E255-R286 VanDerWaalsContact OE2-CG 3.31Å; E255-R286 WeakPolarHBondContact OE2-CG 3.39Å; E255-R286 IonicContact OE2-CZ 2.67Å; E255-R286 IonicContact OE2-NE 3.52Å; E255-R286 PolarHBondContact OE2-NE 3.17Å; E255-R286 IonicContact OE2-NH2 3.15Å
256G90.1Very high94.6Very high0 Ų015.9 Ų15.90%011%0.112CC..Hα-helixtrans-53.6-30.5168.900000112.7F119 T254 R258 G259 E260F119-G256 VanDerWaalsContact CE2-N 3.31Å; T254-G256 PolarHBondContact O-N 2.79Å; T254-G256 VanDerWaalsContact O-N 3.14Å; T254-G256 PolarHBondContact OG1-N 3.01Å; G256-R258 VanDerWaalsContact C-N 3.28Å; G256-R258 PolarHBondContact O-N 2.8Å; G256-G259 CarbonylContact O-C 3.52Å; G256-G259 WeakPolarHBondContact O-CA 3.4Å; G256-G259 PolarHBondContact O-N 3.43Å; G256-G259 VanDerWaalsContact O-N 3.09Å; G256-E260 WeakPolarHBondContact O-CG 3.43Å; G256-E260 PolarHBondContact O-N 2.84Å
257C94.5Very high94.6Very high0 Ų020.6 Ų20.60%013%0.133CC..Hα-helixtrans-56.5-41.8172.8-69.30000112.6T254 E255 G262 L313 L315 L327T254-C257 VanDerWaalsContact O-CB 3.26Å; T254-C257 WeakPolarHBondContact O-CB 3.2Å; T254-C257 PolarHBondContact O-N 2.88Å; T254-C257 PolarHBondContact O-SG 3.14Å; E255-C257 PolarHBondContact O-N 2.92Å; E255-C257 VanDerWaalsContact O-N 3.15Å; C257-G262 VanDerWaalsContact O-CA 3.25Å; C257-G262 WeakPolarHBondContact O-CA 3.22Å; C257-G262 PolarHBondContact O-N 3.28Å; C257-L313 HydrophobicContact CB-CD2 3.86Å; C257-L315 HydrophobicContact CB-CD1 4.19Å; C257-L315 HydrophobicContact CB-CD2 3.78Å; C257-L327 HydrophobicContact CB-CD1 4.4Å
258R96.3Very high94.9Very high5 Ų526.6 Ų26.62%0.01916%0.16CC..Hα-helixtrans-74.4-36.3175.5-66.1177.1-76.9130.3-4111.1E255 G256 E260 G261 G262 D282 L283 L313E255-R258 VanDerWaalsContact CB-NH2 3.34Å; E255-R258 VanDerWaalsContact CD-NH2 3.31Å; E255-R258 WeakPolarHBondContact O-CB 3.39Å; E255-R258 PolarHBondContact O-N 3.43Å; E255-R258 IonicContact OE2-CZ 3Å; E255-R258 IonicContact OE2-NH1 2.95Å; E255-R258 IonicContact OE2-NH2 3.36Å; E255-R258 PolarHBondContact OE2-NH2 3.37Å; G256-R258 VanDerWaalsContact C-N 3.28Å; G256-R258 PolarHBondContact O-N 2.8Å; R258-E260 VanDerWaalsContact C-N 3.3Å; R258-E260 PolarHBondContact O-N 2.93Å; R258-G261 PolarHBondContact O-N 2.93Å; R258-G262 WeakPolarHBondContact CA-O 3.3Å; R258-D282 HydrophobicContact CB-CB 4.35Å; R258-D282 WeakPolarHBondContact CD-O 3.49Å; R258-D282 HydrophobicContact CG-CB 4.2Å; R258-D282 PolarHBondContact NH1-O 2.94Å; R258-L283 HydrophobicContact CB-CD2 3.99Å; R258-L313 HydrophobicContact CG-CD1 4.05Å
259G92.4Very high95.2Very high11 Ų1126.5 Ų26.511%0.11316%0.159CC..Hα-helixtrans-60.7-35.2174.300000114E255 G256 G261E255-G259 PolarHBondContact O-N 2.88Å; G256-G259 CarbonylContact O-C 3.52Å; G256-G259 WeakPolarHBondContact O-CA 3.4Å; G256-G259 PolarHBondContact O-N 3.43Å; G256-G259 VanDerWaalsContact O-N 3.09Å; G259-G261 PolarHBondContact O-N 3.49Å
260E93.1Very high95.6Very high38 Ų3827.2 Ų27.218%0.17815%0.153CC..THydrogen-bonded Turntrans-80.50.6173.9-59.8-57.2156.600113.1Y115 R117 G256 R258 L318 R326 L327Y115-E260 PolarHBondContact OH-OE1 3.16Å; R117-E260 IonicContact CZ-OE1 2.69Å; R117-E260 IonicContact NE-OE1 3.44Å; R117-E260 IonicContact NH1-OE1 3.82Å; R117-E260 PolarHBondContact NH1-OE1 3.04Å; G256-E260 WeakPolarHBondContact O-CG 3.43Å; G256-E260 PolarHBondContact O-N 2.84Å; R258-E260 VanDerWaalsContact C-N 3.3Å; R258-E260 PolarHBondContact O-N 2.93Å; E260-L318 HydrophobicContact CB-CD1 4.09Å; E260-L318 WeakPolarHBondContact O-CD1 3.3Å; E260-L318 WeakPolarHBondContact O-CD2 3.45Å; E260-R326 HydrophobicContact CG-CB 4.27Å; E260-L327 HydrophobicContact CB-CD1 4.41Å; E260-L327 HydrophobicContact CG-CD1 4.21Å; E260-L327 HydrophobicContact CG-CD2 4.31Å; E260-L327 HydrophobicContact CG-CG 4.31Å
261G94.4Very high95.8Very high34 Ų3430.7 Ų30.735%0.35117%0.166SC..THydrogen-bonded Turntrans105.48.4176.700000115.7R258 G259 H317R258-G261 PolarHBondContact O-N 2.93Å; G259-G261 PolarHBondContact O-N 3.49Å; G261-H317 PolarHBondContact O-CE1 3.47Å; G261-H317 PolarHBondContact O-NE2 2.93Å
262G97.4Very high96Very high1 Ų129.1 Ų29.11%0.0116%0.156CC..  trans-64.9153.116800000112.9C257 R258 K314C257-G262 VanDerWaalsContact O-CA 3.25Å; C257-G262 WeakPolarHBondContact O-CA 3.22Å; C257-G262 PolarHBondContact O-N 3.28Å; R258-G262 WeakPolarHBondContact CA-O 3.3Å; G262-K314 VanDerWaalsContact CA-O 3.29Å; G262-K314 WeakPolarHBondContact CA-O 3.34Å
263Y98.1Very high96.2Very high49 Ų4928 Ų2819%0.19215%0.15CC..EExtended strand (participates in β ladder)trans-144.1157.3-178.957.3-94.3000113.8L265 R271 D282 K314 H317Y263-L265 HydrophobicContact CD2-CD2 3.91Å; Y263-L265 HydrophobicContact CD2-CG 4.09Å; Y263-L265 HydrophobicContact CE2-CD1 4.21Å; Y263-L265 HydrophobicContact CE2-CD2 3.73Å; Y263-L265 HydrophobicContact CE2-CG 3.98Å; Y263-R271 VanDerWaalsContact CB-NE 3.33Å; Y263-R271 HydrophobicContact CD2-CB 4.29Å; Y263-R271 HydrophobicContact CD2-CG 3.83Å; Y263-R271 HydrophobicContact CG-CG 4.17Å; Y263-D282 WeakPolarHBondContact CA-OD1 3.39Å; Y263-D282 WeakPolarHBondContact CB-OD2 3.14Å; Y263-K314 HydrophobicContact CD2-CB 4.33Å; Y263-K314 HydrophobicContact CE2-CB 4.08Å; Y263-K314 HydrophobicContact CE2-CD 3.8Å; Y263-K314 HydrophobicContact CE2-CG 4.37Å; Y263-K314 PolarHBondContact N-O 2.95Å; Y263-K314 PolarHBondContact O-N 3.5Å; Y263-K314 VanDerWaalsContact OH-CD 3.29Å; Y263-K314 WeakPolarHBondContact OH-CD 3.45Å; Y263-K314 WeakPolarHBondContact OH-CE 3.39Å; Y263-H317 AromaticContact CD1-CE1 3.56Å; Y263-H317 AromaticContact CD1-NE2 3.82Å; Y263-H317 AromaticContact CE1-CE1 3.25Å; Y263-H317 WeakPolarHBondContact CE1-CE1 3.24Å; Y263-H317 AromaticContact CE1-ND1 3.61Å; Y263-H317 AromaticContact CE1-NE2 3.58Å
264L98.7Very high96.3Very high0 Ų032.3 Ų32.30%017%0.171CC..EExtended strand (participates in β ladder)trans-90.7139.5-176.9-64168.8000111.7T244 R271 F272 M273 D282 V289 I293 K312 L313 V349T244-L264 HydrophobicContact CG2-CD2 3.89Å; L264-R271 WeakPolarHBondContact O-CA 3.38Å; L264-F272 HydrophobicContact CB-CE1 3.72Å; L264-F272 HydrophobicContact CB-CE2 4.32Å; L264-F272 HydrophobicContact CB-CZ 3.51Å; L264-F272 HydrophobicContact CD1-CE2 4.5Å; L264-F272 HydrophobicContact CD1-CZ 4.12Å; L264-F272 HydrophobicContact CG-CZ 4.4Å; L264-M273 HydrophobicContact CD1-CG 4.11Å; L264-D282 PolarHBondContact N-OD1 3.42Å; L264-V289 HydrophobicContact CD1-CG1 3.42Å; L264-V289 VanDerWaalsContact CD1-CG1 3.42Å; L264-I293 HydrophobicContact CD1-CD1 3.96Å; L264-I293 HydrophobicContact CD1-CG1 4.22Å; L264-K312 CarbonylContact C-O 3.55Å; L264-K312 VanDerWaalsContact CA-O 3.31Å; L264-K312 WeakPolarHBondContact CA-O 3.37Å; L264-L313 HydrophobicContact CD2-CB 4.23Å; L264-L313 HydrophobicContact CD2-CD1 4.18Å; L264-V349 HydrophobicContact CD2-CG2 3.94Å
265L98.6Very high96.4Very high20 Ų2037.4 Ų37.411%0.10519%0.189CC..EExtended strand (participates in β ladder)trans-125.9141.9180-67.5-179.5000111.3Y263 G269 E270 R271 K312 K314Y263-L265 HydrophobicContact CD2-CD2 3.91Å; Y263-L265 HydrophobicContact CD2-CG 4.09Å; Y263-L265 HydrophobicContact CE2-CD1 4.21Å; Y263-L265 HydrophobicContact CE2-CD2 3.73Å; Y263-L265 HydrophobicContact CE2-CG 3.98Å; L265-G269 WeakPolarHBondContact CD2-O 3.43Å; L265-E270 WeakPolarHBondContact CA-O 3.3Å; L265-R271 HydrophobicContact CD2-CB 4.27Å; L265-K312 HydrophobicContact CB-CB 4.14Å; L265-K312 PolarHBondContact N-O 2.78Å; L265-K312 PolarHBondContact O-N 2.9Å; L265-K314 HydrophobicContact CD1-CB 4.02Å; L265-K314 HydrophobicContact CD1-CD 3.72Å; L265-K314 HydrophobicContact CD1-CG 4.45Å; L265-K314 HydrophobicContact CG-CB 4.46Å
266N98.3Very high96.5Very high5 Ų540.3 Ų40.33%0.02720%0.201CC..  trans-91-177167.572.312.6000110.8H268 G269 E270 F272 E296 R301N266-H268 PolarHBondContact O-N 3.45Å; N266-H268 VanDerWaalsContact O-N 3.16Å; N266-H268 WeakPolarHBondContact OD1-CA 3.48Å; N266-H268 WeakPolarHBondContact OD1-CB 3.38Å; N266-H268 PolarHBondContact OD1-N 3.23Å; N266-G269 PolarHBondContact O-N 2.71Å; N266-G269 PolarHBondContact OD1-N 3.36Å; N266-E270 PolarHBondContact N-O 2.81Å; N266-E270 PolarHBondContact ND2-OE2 3.47Å; N266-E270 WeakPolarHBondContact OD1-CB 3.28Å; N266-E270 PolarHBondContact OD1-N 2.66Å; N266-E270 VanDerWaalsContact OD1-N 3.1Å; N266-F272 HydrophobicContact CB-CD1 3.86Å; N266-F272 HydrophobicContact CB-CE1 4.38Å; N266-E296 PolarHBondContact ND2-OE2 3.46Å; N266-R301 HydrophobicContact CB-CB 4.29Å; N266-R301 WeakPolarHBondContact CB-O 3.47Å
267K97.4Very high96.8Very high100 Ų10040.4 Ų40.444%0.43520%0.201SC..THydrogen-bonded Turntrans-63.6-20.4-178.279.6-175.5-167.5179.60114.5G269 G300 R301 G302 C303K267-G269 VanDerWaalsContact C-N 3.31Å; K267-G300 WeakPolarHBondContact CE-O 3.23Å; K267-G300 PolarHBondContact NZ-O 3.38Å; K267-R301 WeakPolarHBondContact CB-O 3.32Å; K267-R301 WeakPolarHBondContact CG-O 3.2Å; K267-R301 PolarHBondContact N-O 3.12Å; K267-G302 VanDerWaalsContact CD-O 3.3Å; K267-G302 WeakPolarHBondContact CD-O 3.27Å; K267-C303 VanDerWaalsContact CA-SG 3.58Å
268H97.5Very high96.7Very high128 Ų12844 Ų4459%0.59323%0.225SC*.THydrogen-bonded Turntrans-88.2-0.4178.3-57.6-64.6000112.7N266 E270N266-H268 PolarHBondContact O-N 3.45Å; N266-H268 VanDerWaalsContact O-N 3.16Å; N266-H268 WeakPolarHBondContact OD1-CA 3.48Å; N266-H268 WeakPolarHBondContact OD1-CB 3.38Å; N266-H268 PolarHBondContact OD1-N 3.23Å; H268-E270 VanDerWaalsContact C-N 3.25Å; H268-E270 PolarHBondContact O-N 3.23Å
269G96.6Very high96.4Very high49 Ų4950.1 Ų50.151%0.50526%0.258SS..  trans74.614-174.300000113.5L265 N266 K267L265-G269 WeakPolarHBondContact CD2-O 3.43Å; N266-G269 PolarHBondContact O-N 2.71Å; N266-G269 PolarHBondContact OD1-N 3.36Å; K267-G269 VanDerWaalsContact C-N 3.31Å
270E98.3Very high96.4Very high67 Ų6750.9 Ų50.931%0.31326%0.263SS..  trans-75.5131.9174.9-175.6-162.9173.600110L265 N266 H268 F272 R275L265-E270 WeakPolarHBondContact CA-O 3.3Å; N266-E270 PolarHBondContact N-O 2.81Å; N266-E270 PolarHBondContact ND2-OE2 3.47Å; N266-E270 WeakPolarHBondContact OD1-CB 3.28Å; N266-E270 PolarHBondContact OD1-N 2.66Å; N266-E270 VanDerWaalsContact OD1-N 3.1Å; H268-E270 VanDerWaalsContact C-N 3.25Å; H268-E270 PolarHBondContact O-N 3.23Å; E270-F272 HydrophobicContact CG-CB 4.39Å; E270-F272 PolarHBondContact O-N 2.87Å; E270-R275 IonicContact OE1-CZ 2.63Å; E270-R275 IonicContact OE1-NE 3.6Å; E270-R275 PolarHBondContact OE1-NE 3.42Å; E270-R275 IonicContact OE1-NH2 2.83Å; E270-R275 PolarHBondContact OE1-NH2 3.14Å; E270-R275 IonicContact OE2-NH2 3.26Å; E270-R275 PolarHBondContact OE2-NH2 3.4Å
271R98Very high96.5Very high75 Ų7552.4 Ų52.428%0.28327%0.269SS..  trans-76.371.1165.6-170.7-177.1173.5-172.215.6110.5Y263 L264 L265 M273 E274 D282Y263-R271 VanDerWaalsContact CB-NE 3.33Å; Y263-R271 HydrophobicContact CD2-CB 4.29Å; Y263-R271 HydrophobicContact CD2-CG 3.83Å; Y263-R271 HydrophobicContact CG-CG 4.17Å; L264-R271 WeakPolarHBondContact O-CA 3.38Å; L265-R271 HydrophobicContact CD2-CB 4.27Å; R271-M273 PolarHBondContact O-N 3.26Å; R271-E274 WeakPolarHBondContact CD-OE1 3.4Å; R271-E274 HydrophobicContact CG-CG 4.21Å; R271-E274 IonicContact CZ-OE1 2.81Å; R271-E274 IonicContact NE-OE1 2.84Å; R271-E274 IonicContact NH1-OE1 3.46Å; R271-E274 PolarHBondContact NH1-OE1 3.35Å; R271-E274 PolarHBondContact O-N 3.2Å; R271-E274 VanDerWaalsContact O-N 3.13Å; R271-D282 IonicContact CZ-OD2 3.81Å; R271-D282 VanDerWaalsContact CZ-OD2 3.26Å; R271-D282 IonicContact NE-OD2 3.87Å; R271-D282 PolarHBondContact NE-OD2 3.13Å; R271-D282 IonicContact NH2-OD2 2.71Å; R271-D282 PolarHBondContact NH2-OD2 3.5Å
272F98.3Very high96.6Very high0 Ų050.9 Ų50.90%025%0.253CS..THydrogen-bonded Turntrans-60.3-23.6-165.960.7-95.7000114.7L264 N266 E270 E274 R275 Y276 I293 E296 A311L264-F272 HydrophobicContact CB-CE1 3.72Å; L264-F272 HydrophobicContact CB-CE2 4.32Å; L264-F272 HydrophobicContact CB-CZ 3.51Å; L264-F272 HydrophobicContact CD1-CE2 4.5Å; L264-F272 HydrophobicContact CD1-CZ 4.12Å; L264-F272 HydrophobicContact CG-CZ 4.4Å; N266-F272 HydrophobicContact CB-CD1 3.86Å; N266-F272 HydrophobicContact CB-CE1 4.38Å; E270-F272 HydrophobicContact CG-CB 4.39Å; E270-F272 PolarHBondContact O-N 2.87Å; F272-E274 PolarHBondContact O-N 3.13Å; F272-R275 WeakPolarHBondContact O-CB 3.39Å; F272-R275 PolarHBondContact O-N 2.84Å; F272-Y276 HydrophobicContact CB-CD2 4.45Å; F272-Y276 HydrophobicContact CB-CE2 4.18Å; F272-Y276 AromaticContact CD2-CD2 3.9Å; F272-Y276 HydrophobicContact CD2-CD2 3.9Å; F272-Y276 AromaticContact CD2-CE2 3.91Å; F272-Y276 HydrophobicContact CD2-CE2 3.91Å; F272-Y276 HydrophobicContact CG-CE2 4.47Å; F272-Y276 VanDerWaalsContact O-CD2 3.23Å; F272-Y276 WeakPolarHBondContact O-CD2 3.35Å; F272-Y276 PolarHBondContact O-N 3.13Å; F272-I293 HydrophobicContact CE2-CG1 4.09Å; F272-I293 HydrophobicContact CZ-CG1 3.83Å; F272-E296 HydrophobicContact CB-CG 4.17Å; F272-E296 HydrophobicContact CD1-CG 4.19Å; F272-E296 HydrophobicContact CD2-CG 3.75Å; F272-E296 HydrophobicContact CE2-CG 4.17Å; F272-E296 HydrophobicContact CG-CG 3.77Å; F272-A311 HydrophobicContact CE1-CB 4.34Å; F272-A311 HydrophobicContact CZ-CB 4.33Å
273M98.4Very high96.5Very high0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-64.3-21.2178.1-76.8-54.5-51.300113.6L264 R271 R275 Y276 A277 K281 A284 V289 S292L264-M273 HydrophobicContact CD1-CG 4.11Å; R271-M273 PolarHBondContact O-N 3.26Å; M273-R275 PolarHBondContact O-N 2.89Å; M273-Y276 PolarHBondContact O-N 3.36Å; M273-A277 HydrophobicContact CE-CB 3.82Å; M273-A277 CarbonylContact O-C 3.57Å; M273-A277 PolarHBondContact O-N 2.83Å; M273-K281 VanDerWaalsContact CE-O 3.3Å; M273-K281 WeakPolarHBondContact CE-O 3.42Å; M273-A284 HydrophobicContact CE-CB 4.17Å; M273-V289 HydrophobicContact CE-CB 4.48Å; M273-V289 HydrophobicContact CE-CG2 3.93Å; M273-V289 HydrophobicContact CG-CG1 4.48Å; M273-V289 HydrophobicContact SD-CB 4.41Å; M273-V289 HydrophobicContact SD-CG1 4.05Å; M273-V289 HydrophobicContact SD-CG2 4.41Å; M273-S292 VanDerWaalsContact SD-CB 3.57Å
274E97.4Very high96.2Very high92 Ų9249.7 Ų49.743%0.4325%0.25SC..Hα-helixtrans-63.9-25.9171.9-65.8-174.4162.900112.3R271 F272 K281R271-E274 WeakPolarHBondContact CD-OE1 3.4Å; R271-E274 HydrophobicContact CG-CG 4.21Å; R271-E274 IonicContact CZ-OE1 2.81Å; R271-E274 IonicContact NE-OE1 2.84Å; R271-E274 IonicContact NH1-OE1 3.46Å; R271-E274 PolarHBondContact NH1-OE1 3.35Å; R271-E274 PolarHBondContact O-N 3.2Å; R271-E274 VanDerWaalsContact O-N 3.13Å; F272-E274 PolarHBondContact O-N 3.13Å; E274-K281 HydrophobicContact CG-CD 3.85Å; E274-K281 HydrophobicContact CG-CG 4.04Å
275R97.3Very high95.8Very high111 Ų11149.8 Ų49.842%0.41925%0.25SS..Hα-helixtrans-84-40.6176.2177.1162.549.378.9-1112.6E270 F272 M273 E296E270-R275 IonicContact OE1-CZ 2.63Å; E270-R275 IonicContact OE1-NE 3.6Å; E270-R275 PolarHBondContact OE1-NE 3.42Å; E270-R275 IonicContact OE1-NH2 2.83Å; E270-R275 PolarHBondContact OE1-NH2 3.14Å; E270-R275 IonicContact OE2-NH2 3.26Å; E270-R275 PolarHBondContact OE2-NH2 3.4Å; F272-R275 WeakPolarHBondContact O-CB 3.39Å; F272-R275 PolarHBondContact O-N 2.84Å; M273-R275 PolarHBondContact O-N 2.89Å; R275-E296 IonicContact CZ-OE1 3.67Å; R275-E296 IonicContact NH1-OE1 3.56Å; R275-E296 IonicContact NH2-OE1 2.86Å; R275-E296 PolarHBondContact NH2-OE1 3.26Å; R275-E296 IonicContact NH2-OE2 3.22Å
276Y96.4Very high95.6Very high62 Ų6249.4 Ų49.424%0.24325%0.247CC..Hα-helixtrans-82-32.1-176.5-67.6-77.5000114.3F272 M273 S292 I295 E296 R301F272-Y276 HydrophobicContact CB-CD2 4.45Å; F272-Y276 HydrophobicContact CB-CE2 4.18Å; F272-Y276 AromaticContact CD2-CD2 3.9Å; F272-Y276 HydrophobicContact CD2-CD2 3.9Å; F272-Y276 AromaticContact CD2-CE2 3.91Å; F272-Y276 HydrophobicContact CD2-CE2 3.91Å; F272-Y276 HydrophobicContact CG-CE2 4.47Å; F272-Y276 VanDerWaalsContact O-CD2 3.23Å; F272-Y276 WeakPolarHBondContact O-CD2 3.35Å; F272-Y276 PolarHBondContact O-N 3.13Å; M273-Y276 PolarHBondContact O-N 3.36Å; Y276-S292 WeakPolarHBondContact CB-OG 3.47Å; Y276-I295 HydrophobicContact CE1-CD1 4.43Å; Y276-I295 HydrophobicContact CE1-CG2 4.26Å; Y276-I295 WeakPolarHBondContact OH-CG2 3.24Å; Y276-E296 HydrophobicContact CE2-CG 3.97Å; Y276-E296 VanDerWaalsContact CE2-OE1 3.26Å; Y276-E296 WeakPolarHBondContact CE2-OE1 3.44Å; Y276-E296 PolarHBondContact OH-OE1 3.05Å; Y276-R301 PolarHBondContact OH-NH2 3.23Å
277A95.6Very high95.3Very high1 Ų149.5 Ų49.51%0.00825%0.248CC..  trans-14079.7179.600000109.9M273 N279 K281 A284 Y588M273-A277 HydrophobicContact CE-CB 3.82Å; M273-A277 CarbonylContact O-C 3.57Å; M273-A277 PolarHBondContact O-N 2.83Å; A277-N279 VanDerWaalsContact C-N 3.28Å; A277-N279 PolarHBondContact O-N 3.17Å; A277-N279 VanDerWaalsContact O-N 3.16Å; A277-K281 WeakPolarHBondContact O-CA 3.22Å; A277-K281 PolarHBondContact O-N 2.84Å; A277-A284 HydrophobicContact CB-CB 3.72Å; A277-Y588 WeakPolarHBondContact CA-O 3.24Å
278P93.2Very high95.2Very high77 Ų7745.8 Ų45.850%0.523%0.234SC..THydrogen-bonded Turntrans-58.1-34-169.7-27.936.2000114.9K281P278-K281 PolarHBondContact O-NZ 3.31Å
279N89.4Confident95.2Very high133 Ų13339.7 Ų39.771%0.71121%0.205SC*.THydrogen-bonded Turntrans-82-52-177.5-41.3-63.7000111.3A277 Y588A277-N279 VanDerWaalsContact C-N 3.28Å; A277-N279 PolarHBondContact O-N 3.17Å; A277-N279 VanDerWaalsContact O-N 3.16Å; N279-Y588 WeakPolarHBondContact CB-OXT 3.33Å
280A91.5Very high95.2Very high27 Ų2737.5 Ų37.522%0.22318%0.182CC..THydrogen-bonded Turntrans-87.6-21.8-17600000114.8D282 L283 A284 Y588A280-D282 PolarHBondContact O-N 2.81Å; A280-L283 WeakPolarHBondContact O-CA 2.98Å; A280-L283 WeakPolarHBondContact O-CB 3.4Å; A280-L283 PolarHBondContact O-N 3.34Å; A280-A284 HydrophobicContact CB-CB 4.07Å; A280-Y588 HydrophobicContact CB-CD1 4.26Å; A280-Y588 WeakPolarHBondContact CB-OXT 2.79Å; A280-Y588 PolarHBondContact N-OXT 2.9Å
281K95.7Very high95.1Very high69 Ų6936.7 Ų36.730%0.318%0.176SC..G310 helixtrans50.2-126.9-176.5-54.3174.4177.558.70110.6M273 E274 A277 P278 L283 A284M273-K281 VanDerWaalsContact CE-O 3.3Å; M273-K281 WeakPolarHBondContact CE-O 3.42Å; E274-K281 HydrophobicContact CG-CD 3.85Å; E274-K281 HydrophobicContact CG-CG 4.04Å; A277-K281 WeakPolarHBondContact O-CA 3.22Å; A277-K281 PolarHBondContact O-N 2.84Å; P278-K281 PolarHBondContact O-NZ 3.31Å; K281-L283 PolarHBondContact O-N 3.24Å; K281-L283 VanDerWaalsContact O-N 3.13Å; K281-A284 WeakPolarHBondContact O-CB 3.22Å; K281-A284 PolarHBondContact O-N 2.9Å
282D96.8Very high95Very high3 Ų333.3 Ų33.32%0.01616%0.164CC..G310 helixtrans-63.7-12.8178.2-53.7-90.4000113.6R258 Y263 L264 R271 A280R258-D282 HydrophobicContact CB-CB 4.35Å; R258-D282 WeakPolarHBondContact CD-O 3.49Å; R258-D282 HydrophobicContact CG-CB 4.2Å; R258-D282 PolarHBondContact NH1-O 2.94Å; Y263-D282 WeakPolarHBondContact CA-OD1 3.39Å; Y263-D282 WeakPolarHBondContact CB-OD2 3.14Å; L264-D282 PolarHBondContact N-OD1 3.42Å; R271-D282 IonicContact CZ-OD2 3.81Å; R271-D282 VanDerWaalsContact CZ-OD2 3.26Å; R271-D282 IonicContact NE-OD2 3.87Å; R271-D282 PolarHBondContact NE-OD2 3.13Å; R271-D282 IonicContact NH2-OD2 2.71Å; R271-D282 PolarHBondContact NH2-OD2 3.5Å; A280-D282 PolarHBondContact O-N 2.81Å
283L94.4Very high95Very high25 Ų2533.3 Ų33.313%0.13116%0.164CC..G310 helixtrans-99.416.7176.4-66.6177.8000113.6G120 G121 R258 A280 K281G120-L283 CarbonylContact C-O 3.53Å; G120-L283 VanDerWaalsContact CA-O 3.3Å; G120-L283 WeakPolarHBondContact CA-O 3.39Å; G121-L283 PolarHBondContact N-O 3.49Å; R258-L283 HydrophobicContact CB-CD2 3.99Å; A280-L283 WeakPolarHBondContact O-CA 2.98Å; A280-L283 WeakPolarHBondContact O-CB 3.4Å; A280-L283 PolarHBondContact O-N 3.34Å; K281-L283 PolarHBondContact O-N 3.24Å; K281-L283 VanDerWaalsContact O-N 3.13Å
284A93.3Very high94.9Very high0 Ų035.1 Ų35.10%017%0.173CC..SBendtrans-61.5168.7167.700000112.4M273 A277 A280 K281 V288 V289 Y588M273-A284 HydrophobicContact CE-CB 4.17Å; A277-A284 HydrophobicContact CB-CB 3.72Å; A280-A284 HydrophobicContact CB-CB 4.07Å; K281-A284 WeakPolarHBondContact O-CB 3.22Å; K281-A284 PolarHBondContact O-N 2.9Å; A284-V288 HydrophobicContact CB-CB 4.35Å; A284-V288 HydrophobicContact CB-CG1 4.27Å; A284-V289 HydrophobicContact CB-CG2 3.95Å; A284-Y588 HydrophobicContact CB-CD1 4.39Å; A284-Y588 HydrophobicContact CB-CG 4.01Å
285G89.6Confident94.8Very high1 Ų132.8 Ų32.81%0.0116%0.163CC..  trans-53.2143.5173.100000112.3D287 V288 V289G285-D287 VanDerWaalsContact C-N 3.28Å; G285-D287 PolarHBondContact O-N 2.9Å; G285-V288 WeakPolarHBondContact O-CB 3.46Å; G285-V288 PolarHBondContact O-N 2.78Å; G285-V289 PolarHBondContact O-N 3.04Å; G285-V289 VanDerWaalsContact O-N 3.07Å
286R94.5Very high94.8Very high12 Ų1227.7 Ų27.75%0.04514%0.144CC..Hα-helixtrans-56.6-41.2-174.2-74.1174.4171.9-163.6-9.5113Q240 H242 P243 E255 V288 V289 A290 H354Q240-R286 VanDerWaalsContact CD-CD 3.42Å; Q240-R286 HydrophobicContact CG-CB 4.5Å; Q240-R286 VanDerWaalsContact OE1-CD 3.28Å; H242-R286 PolarHBondContact NE2-NH2 2.84Å; P243-R286 HydrophobicContact CG-CB 4.4Å; P243-R286 HydrophobicContact CG-CG 4.47Å; E255-R286 IonicContact OE1-NE 2.75Å; E255-R286 VanDerWaalsContact OE2-CG 3.31Å; E255-R286 WeakPolarHBondContact OE2-CG 3.39Å; E255-R286 IonicContact OE2-CZ 2.67Å; E255-R286 IonicContact OE2-NE 3.52Å; E255-R286 PolarHBondContact OE2-NE 3.17Å; E255-R286 IonicContact OE2-NH2 3.15Å; R286-V288 VanDerWaalsContact C-N 3.32Å; R286-V288 PolarHBondContact O-N 2.84Å; R286-V289 PolarHBondContact O-N 3.32Å; R286-A290 VanDerWaalsContact O-CB 3.22Å; R286-A290 WeakPolarHBondContact O-CB 3.41Å; R286-A290 PolarHBondContact O-N 3.39Å; R286-H354 PolarHBondContact NH1-CD2 3.24Å
287D92.5Very high94.8Very high7 Ų725.9 Ų25.94%0.03714%0.138CC..Hα-helixtrans-58.9-41.3175.966.4-60.3000112.2G285 R291 N398 G538 A539 R586G285-D287 VanDerWaalsContact C-N 3.28Å; G285-D287 PolarHBondContact O-N 2.9Å; D287-R291 WeakPolarHBondContact O-CB 3.34Å; D287-R291 WeakPolarHBondContact O-CG 3.4Å; D287-R291 PolarHBondContact O-N 2.8Å; D287-R291 PolarHBondContact O-NH1 2.85Å; D287-R291 IonicContact OD2-CZ 3.15Å; D287-R291 IonicContact OD2-NH1 3.68Å; D287-R291 PolarHBondContact OD2-NH1 2.93Å; D287-R291 IonicContact OD2-NH2 2.87Å; D287-R291 PolarHBondContact OD2-NH2 3.49Å; D287-N398 HydrophobicContact CB-CB 4.42Å; D287-N398 PolarHBondContact OD1-OD1 3.43Å; D287-G538 WeakPolarHBondContact CB-O 3.27Å; D287-A539 HydrophobicContact CB-CB 4.42Å; D287-R586 IonicContact OD1-CZ 2.84Å; D287-R586 IonicContact OD1-NH1 2.87Å; D287-R586 PolarHBondContact OD1-NH1 3.26Å; D287-R586 IonicContact OD1-NH2 3.31Å; D287-R586 PolarHBondContact OD1-NH2 3.48Å; D287-R586 IonicContact OD2-CZ 2.86Å; D287-R586 IonicContact OD2-NH1 3.69Å; D287-R586 PolarHBondContact OD2-NH1 2.8Å; D287-R586 IonicContact OD2-NH2 3.06Å
288V94.6Very high94.7Very high23 Ų2332 Ų3214%0.13916%0.161CC..Hα-helixtrans-66.8-48.4177.6179.40000111A284 G285 R286 R291 S292 Y588A284-V288 HydrophobicContact CB-CB 4.35Å; A284-V288 HydrophobicContact CB-CG1 4.27Å; G285-V288 WeakPolarHBondContact O-CB 3.46Å; G285-V288 PolarHBondContact O-N 2.78Å; R286-V288 VanDerWaalsContact C-N 3.32Å; R286-V288 PolarHBondContact O-N 2.84Å; V288-R291 PolarHBondContact O-N 2.86Å; V288-S292 WeakPolarHBondContact O-CB 3.38Å; V288-S292 PolarHBondContact O-N 3.47Å; V288-S292 PolarHBondContact O-OG 3.31Å; V288-Y588 HydrophobicContact CG2-CD2 3.93Å; V288-Y588 HydrophobicContact CG2-CE2 4.28Å
289V97.2Very high94.8Very high0 Ų033.9 Ų33.90%016%0.163CC..Hα-helixtrans-64.9-42.5180-173.80000110.7P243 L264 M273 A284 G285 R286 S292 I293P243-V289 HydrophobicContact CB-CB 4.09Å; P243-V289 HydrophobicContact CB-CG1 3.65Å; P243-V289 HydrophobicContact CG-CB 3.75Å; P243-V289 HydrophobicContact CG-CG1 3.87Å; L264-V289 HydrophobicContact CD1-CG1 3.42Å; L264-V289 VanDerWaalsContact CD1-CG1 3.42Å; M273-V289 HydrophobicContact CE-CB 4.48Å; M273-V289 HydrophobicContact CE-CG2 3.93Å; M273-V289 HydrophobicContact CG-CG1 4.48Å; M273-V289 HydrophobicContact SD-CB 4.41Å; M273-V289 HydrophobicContact SD-CG1 4.05Å; M273-V289 HydrophobicContact SD-CG2 4.41Å; A284-V289 HydrophobicContact CB-CG2 3.95Å; G285-V289 PolarHBondContact O-N 3.04Å; G285-V289 VanDerWaalsContact O-N 3.07Å; R286-V289 PolarHBondContact O-N 3.32Å; V289-S292 PolarHBondContact O-N 3.5Å; V289-I293 HydrophobicContact CG1-CD1 4.24Å; V289-I293 WeakPolarHBondContact O-CG1 3.48Å; V289-I293 PolarHBondContact O-N 3.49Å
290A97.1Very high95.2Very high2 Ų229.5 Ų29.52%0.01715%0.149CC..Hα-helixtrans-62.4-46.517800000112F241 R286 S292 I293 M294 P351F241-A290 HydrophobicContact CB-CB 4.4Å; R286-A290 VanDerWaalsContact O-CB 3.22Å; R286-A290 WeakPolarHBondContact O-CB 3.41Å; R286-A290 PolarHBondContact O-N 3.39Å; A290-S292 VanDerWaalsContact C-N 3.33Å; A290-S292 PolarHBondContact O-N 2.93Å; A290-I293 PolarHBondContact O-N 2.9Å; A290-M294 WeakPolarHBondContact O-CG 3.13Å; A290-M294 PolarHBondContact O-N 3.22Å; A290-M294 VanDerWaalsContact O-N 3.13Å; A290-P351 HydrophobicContact CB-CB 4.06Å; A290-P351 HydrophobicContact CB-CG 4.08Å; A290-P351 WeakPolarHBondContact O-CG 3.16Å
291R95.8Very high95.5Very high51 Ų5130.2 Ų30.219%0.19215%0.146CC..Hα-helixtrans-59.6-44.1173.5-78.4-168.3-63.2-83.70.8111.9D287 V288 I293 M294 I295 V473 F474 G538 S541D287-R291 WeakPolarHBondContact O-CB 3.34Å; D287-R291 WeakPolarHBondContact O-CG 3.4Å; D287-R291 PolarHBondContact O-N 2.8Å; D287-R291 PolarHBondContact O-NH1 2.85Å; D287-R291 IonicContact OD2-CZ 3.15Å; D287-R291 IonicContact OD2-NH1 3.68Å; D287-R291 PolarHBondContact OD2-NH1 2.93Å; D287-R291 IonicContact OD2-NH2 2.87Å; D287-R291 PolarHBondContact OD2-NH2 3.49Å; V288-R291 PolarHBondContact O-N 2.86Å; R291-I293 PolarHBondContact O-N 2.97Å; R291-M294 PolarHBondContact O-N 3.37Å; R291-M294 VanDerWaalsContact O-N 3.13Å; R291-I295 WeakPolarHBondContact O-CG1 3.43Å; R291-I295 PolarHBondContact O-N 3.33Å; R291-V473 HydrophobicContact CG-CG1 3.98Å; R291-F474 HydrophobicContact CB-CE1 4.2Å; R291-F474 HydrophobicContact CB-CZ 3.79Å; R291-F474 HydrophobicContact CG-CE1 3.72Å; R291-F474 HydrophobicContact CG-CZ 3.8Å; R291-G538 PolarHBondContact NH1-O 2.98Å; R291-S541 WeakPolarHBondContact CD-OG 3.36Å
292S97.1Very high95.5Very high4 Ų427.3 Ų27.33%0.02814%0.135CC..Hα-helixtrans-60.2-44.8-179.2-57.10000111.7M273 Y276 V288 V289 A290 M294 I295 E296M273-S292 VanDerWaalsContact SD-CB 3.57Å; Y276-S292 WeakPolarHBondContact CB-OG 3.47Å; V288-S292 WeakPolarHBondContact O-CB 3.38Å; V288-S292 PolarHBondContact O-N 3.47Å; V288-S292 PolarHBondContact O-OG 3.31Å; V289-S292 PolarHBondContact O-N 3.5Å; A290-S292 VanDerWaalsContact C-N 3.33Å; A290-S292 PolarHBondContact O-N 2.93Å; S292-M294 VanDerWaalsContact C-N 3.34Å; S292-M294 PolarHBondContact O-N 2.87Å; S292-I295 PolarHBondContact O-N 3.48Å; S292-E296 WeakPolarHBondContact O-CG 3.44Å; S292-E296 PolarHBondContact O-N 3.3Å
293I97.8Very high95.5Very high0 Ų027.5 Ų27.50%014%0.137CC..Hα-helixtrans-60.2-44.8174.4-65.1161.7000111P243 L264 F272 V289 A290 R291 I295 E296 I297 A311 P351P243-I293 HydrophobicContact CB-CD1 3.93Å; P243-I293 VanDerWaalsContact O-CD1 3.32Å; P243-I293 WeakPolarHBondContact O-CD1 3.46Å; L264-I293 HydrophobicContact CD1-CD1 3.96Å; L264-I293 HydrophobicContact CD1-CG1 4.22Å; F272-I293 HydrophobicContact CE2-CG1 4.09Å; F272-I293 HydrophobicContact CZ-CG1 3.83Å; V289-I293 HydrophobicContact CG1-CD1 4.24Å; V289-I293 WeakPolarHBondContact O-CG1 3.48Å; V289-I293 PolarHBondContact O-N 3.49Å; A290-I293 PolarHBondContact O-N 2.9Å; R291-I293 PolarHBondContact O-N 2.97Å; I293-I295 VanDerWaalsContact C-N 3.33Å; I293-I295 PolarHBondContact O-N 2.94Å; I293-E296 PolarHBondContact O-N 2.93Å; I293-I297 HydrophobicContact CG2-CD1 3.78Å; I293-I297 HydrophobicContact CG2-CG1 4.47Å; I293-I297 WeakPolarHBondContact O-CG1 3.4Å; I293-I297 PolarHBondContact O-N 3.19Å; I293-A311 HydrophobicContact CG1-CB 4.32Å; I293-A311 HydrophobicContact CG2-CB 3.82Å; I293-P351 HydrophobicContact CB-CG 3.91Å; I293-P351 HydrophobicContact CD1-CG 4.07Å; I293-P351 HydrophobicContact CG2-CG 4.01Å
294M95.3Very high95.5Very high37 Ų3733.1 Ų33.118%0.18217%0.167CC..Hα-helixtrans-66.9-33.2-179.8-69.4-51.3-60.500112.7A290 R291 S292 I297 R298 P351 V473 F474A290-M294 WeakPolarHBondContact O-CG 3.13Å; A290-M294 PolarHBondContact O-N 3.22Å; A290-M294 VanDerWaalsContact O-N 3.13Å; R291-M294 PolarHBondContact O-N 3.37Å; R291-M294 VanDerWaalsContact O-N 3.13Å; S292-M294 VanDerWaalsContact C-N 3.34Å; S292-M294 PolarHBondContact O-N 2.87Å; M294-I297 HydrophobicContact SD-CD1 4.3Å; M294-R298 WeakPolarHBondContact O-CB 3.5Å; M294-R298 VanDerWaalsContact O-CG 3.28Å; M294-R298 WeakPolarHBondContact O-CG 3.47Å; M294-R298 PolarHBondContact O-N 3.27Å; M294-P351 HydrophobicContact CG-CB 4.48Å; M294-P351 HydrophobicContact CG-CG 4.05Å; M294-P351 HydrophobicContact SD-CB 4.48Å; M294-P351 HydrophobicContact SD-CG 4.12Å; M294-V473 HydrophobicContact CB-CG1 4.48Å; M294-V473 HydrophobicContact CG-CB 4.06Å; M294-V473 HydrophobicContact CG-CG1 3.99Å; M294-V473 HydrophobicContact CG-CG2 4.07Å; M294-F474 HydrophobicContact CB-CD2 3.8Å; M294-F474 HydrophobicContact CB-CE2 3.45Å; M294-F474 VanDerWaalsContact CB-CE2 3.45Å
295I95.8Very high95.2Very high44 Ų4434.6 Ų34.623%0.22618%0.183CC..Hα-helixtrans-66.1-48.9172.5-68.6164.3000110Y276 R291 S292 I293 I297 R298 E299 F474Y276-I295 HydrophobicContact CE1-CD1 4.43Å; Y276-I295 HydrophobicContact CE1-CG2 4.26Å; Y276-I295 WeakPolarHBondContact OH-CG2 3.24Å; R291-I295 WeakPolarHBondContact O-CG1 3.43Å; R291-I295 PolarHBondContact O-N 3.33Å; S292-I295 PolarHBondContact O-N 3.48Å; I293-I295 VanDerWaalsContact C-N 3.33Å; I293-I295 PolarHBondContact O-N 2.94Å; I295-I297 VanDerWaalsContact C-N 3.26Å; I295-I297 PolarHBondContact O-N 3.42Å; I295-R298 PolarHBondContact O-N 2.93Å; I295-E299 HydrophobicContact CG2-CG 4.25Å; I295-E299 WeakPolarHBondContact CG2-OE1 3.48Å; I295-E299 WeakPolarHBondContact O-CB 3.39Å; I295-E299 WeakPolarHBondContact O-CG 3.14Å; I295-E299 PolarHBondContact O-N 2.82Å; I295-F474 HydrophobicContact CD1-CZ 3.99Å; I295-F474 HydrophobicContact CG1-CE2 3.93Å; I295-F474 HydrophobicContact CG1-CZ 3.65Å
296E98Very high95.1Very high3 Ų339.9 Ų39.91%0.01422%0.217CC..Hα-helixtrans-54.4-43.9175.7-70.8-64.9112.900111.7N266 F272 R275 Y276 S292 I293 G300 R301 G302N266-E296 PolarHBondContact ND2-OE2 3.46Å; F272-E296 HydrophobicContact CB-CG 4.17Å; F272-E296 HydrophobicContact CD1-CG 4.19Å; F272-E296 HydrophobicContact CD2-CG 3.75Å; F272-E296 HydrophobicContact CE2-CG 4.17Å; F272-E296 HydrophobicContact CG-CG 3.77Å; R275-E296 IonicContact CZ-OE1 3.67Å; R275-E296 IonicContact NH1-OE1 3.56Å; R275-E296 IonicContact NH2-OE1 2.86Å; R275-E296 PolarHBondContact NH2-OE1 3.26Å; R275-E296 IonicContact NH2-OE2 3.22Å; Y276-E296 HydrophobicContact CE2-CG 3.97Å; Y276-E296 VanDerWaalsContact CE2-OE1 3.26Å; Y276-E296 WeakPolarHBondContact CE2-OE1 3.44Å; Y276-E296 PolarHBondContact OH-OE1 3.05Å; S292-E296 WeakPolarHBondContact O-CG 3.44Å; S292-E296 PolarHBondContact O-N 3.3Å; I293-E296 PolarHBondContact O-N 2.93Å; E296-G300 PolarHBondContact O-N 3.06Å; E296-R301 HydrophobicContact CB-CB 4.48Å; E296-R301 CarbonylContact O-C 3.39Å; E296-R301 VanDerWaalsContact O-CA 3.3Å; E296-R301 WeakPolarHBondContact O-CA 3.35Å; E296-R301 WeakPolarHBondContact O-CB 3.48Å; E296-R301 PolarHBondContact O-N 3.35Å; E296-R301 IonicContact OE1-CZ 3.05Å; E296-R301 VanDerWaalsContact OE1-CZ 3.3Å; E296-R301 IonicContact OE1-NE 3.43Å; E296-R301 PolarHBondContact OE1-NE 3.43Å; E296-R301 IonicContact OE1-NH2 3.9Å; E296-R301 PolarHBondContact OE1-NH2 3.34Å; E296-R301 IonicContact OE2-CZ 3.74Å; E296-R301 IonicContact OE2-NE 3.63Å; E296-R301 PolarHBondContact OE2-NE 2.92Å; E296-R301 IonicContact OE2-NH2 3.57Å; E296-G302 PolarHBondContact O-N 3.46Å
297I96Very high94.6Very high24 Ų2444.9 Ų44.912%0.12324%0.236CC..Hα-helixtrans-64.5-49.8177.1-71.5167000111.4I293 M294 I295 E299 G300 P309 I350I293-I297 HydrophobicContact CG2-CD1 3.78Å; I293-I297 HydrophobicContact CG2-CG1 4.47Å; I293-I297 WeakPolarHBondContact O-CG1 3.4Å; I293-I297 PolarHBondContact O-N 3.19Å; M294-I297 HydrophobicContact SD-CD1 4.3Å; I295-I297 VanDerWaalsContact C-N 3.26Å; I295-I297 PolarHBondContact O-N 3.42Å; I297-E299 VanDerWaalsContact C-N 3.3Å; I297-E299 PolarHBondContact O-N 2.92Å; I297-G300 PolarHBondContact O-N 3.06Å; I297-P309 HydrophobicContact CG2-CB 3.77Å; I297-P309 HydrophobicContact CG2-CG 3.73Å; I297-I350 HydrophobicContact CD1-CD1 4.38Å; I297-I350 HydrophobicContact CD1-CG1 4.29Å
298R92.4Very high94.5Very high131 Ų13146 Ų4649%0.49425%0.248SC..Hα-helixtrans-62.3-36.1-178.7-78.7178.8176.6-149.1-0.2112.7M294 I295 G300M294-R298 WeakPolarHBondContact O-CB 3.5Å; M294-R298 VanDerWaalsContact O-CG 3.28Å; M294-R298 WeakPolarHBondContact O-CG 3.47Å; M294-R298 PolarHBondContact O-N 3.27Å; I295-R298 PolarHBondContact O-N 2.93Å; R298-G300 PolarHBondContact O-N 2.73Å
299E96.3Very high94.6Very high116 Ų11648 Ų4854%0.54226%0.262SS..THydrogen-bonded Turntrans-8316.7176.2-62.9-175.2-171.100112.8I295 I297 R301I295-E299 HydrophobicContact CG2-CG 4.25Å; I295-E299 WeakPolarHBondContact CG2-OE1 3.48Å; I295-E299 WeakPolarHBondContact O-CB 3.39Å; I295-E299 WeakPolarHBondContact O-CG 3.14Å; I295-E299 PolarHBondContact O-N 2.82Å; I297-E299 VanDerWaalsContact C-N 3.3Å; I297-E299 PolarHBondContact O-N 2.92Å; E299-R301 VanDerWaalsContact C-N 3.31Å; E299-R301 PolarHBondContact O-N 3.46Å; E299-R301 IonicContact OE2-CZ 3.2Å; E299-R301 IonicContact OE2-NH1 3.66Å; E299-R301 PolarHBondContact OE2-NH1 3.05Å; E299-R301 IonicContact OE2-NH2 3.3Å; E299-R301 PolarHBondContact OE2-NH2 3.39Å
300G96.8Very high94.5Very high40 Ų4048.5 Ų48.541%0.41226%0.264SS..THydrogen-bonded Turntrans75.313.9171.400000114.6K267 E296 I297 R298K267-G300 WeakPolarHBondContact CE-O 3.23Å; K267-G300 PolarHBondContact NZ-O 3.38Å; E296-G300 PolarHBondContact O-N 3.06Å; I297-G300 PolarHBondContact O-N 3.06Å; R298-G300 PolarHBondContact O-N 2.73Å
301R98Very high94.6Very high43 Ų4348.6 Ų48.616%0.16227%0.265CS..  trans-96.73.4177.7-60.6-175.3-65.8-82.6-0.5113.6N266 K267 Y276 E296 E299N266-R301 HydrophobicContact CB-CB 4.29Å; N266-R301 WeakPolarHBondContact CB-O 3.47Å; K267-R301 WeakPolarHBondContact CB-O 3.32Å; K267-R301 WeakPolarHBondContact CG-O 3.2Å; K267-R301 PolarHBondContact N-O 3.12Å; Y276-R301 PolarHBondContact OH-NH2 3.23Å; E296-R301 HydrophobicContact CB-CB 4.48Å; E296-R301 CarbonylContact O-C 3.39Å; E296-R301 VanDerWaalsContact O-CA 3.3Å; E296-R301 WeakPolarHBondContact O-CA 3.35Å; E296-R301 WeakPolarHBondContact O-CB 3.48Å; E296-R301 PolarHBondContact O-N 3.35Å; E296-R301 IonicContact OE1-CZ 3.05Å; E296-R301 VanDerWaalsContact OE1-CZ 3.3Å; E296-R301 IonicContact OE1-NE 3.43Å; E296-R301 PolarHBondContact OE1-NE 3.43Å; E296-R301 IonicContact OE1-NH2 3.9Å; E296-R301 PolarHBondContact OE1-NH2 3.34Å; E296-R301 IonicContact OE2-CZ 3.74Å; E296-R301 IonicContact OE2-NE 3.63Å; E296-R301 PolarHBondContact OE2-NE 2.92Å; E296-R301 IonicContact OE2-NH2 3.57Å; E299-R301 VanDerWaalsContact C-N 3.31Å; E299-R301 PolarHBondContact O-N 3.46Å; E299-R301 IonicContact OE2-CZ 3.2Å; E299-R301 IonicContact OE2-NH1 3.66Å; E299-R301 PolarHBondContact OE2-NH1 3.05Å; E299-R301 IonicContact OE2-NH2 3.3Å; E299-R301 PolarHBondContact OE2-NH2 3.39Å
302G97.3Very high94.7Very high7 Ų750 Ų507%0.07227%0.272CS..SBendtrans-62.9143.9169.800000112.4K267 E296K267-G302 VanDerWaalsContact CD-O 3.3Å; K267-G302 WeakPolarHBondContact CD-O 3.27Å; E296-G302 PolarHBondContact O-N 3.46Å
303C96.9Very high94.7Very high7 Ų749.8 Ų49.85%0.04727%0.271CS..BIsolated β-bridgetrans-69.7136.7170.8-610000109.7K267 P309 H310K267-C303 VanDerWaalsContact CA-SG 3.58Å; C303-P309 WeakPolarHBondContact O-CA 3.48Å; C303-H310 WeakPolarHBondContact CB-O 3.39Å; C303-H310 PolarHBondContact N-O 2.98Å; C303-H310 PolarHBondContact O-CE1 3.12Å; C303-H310 PolarHBondContact O-N 3.38Å; C303-H310 VanDerWaalsContact O-N 3.1Å; C303-H310 PolarHBondContact O-ND1 3.22Å
304D93Very high94.8Very high144 Ų14451.8 Ų51.877%0.7728%0.28SS*.PPolyproline II helixtrans-73.6143171-59.1-58000110.4H310D304-H310 PolarHBondContact O-CE1 3.11Å
305G87.3Confident94.9Very high31 Ų3150 Ų5032%0.3227%0.271SS..  trans-165.6169.1177.300000112.5W307 G308G305-W307 PolarHBondContact O-N 3Å; G305-W307 VanDerWaalsContact O-N 3.07Å; G305-G308 PolarHBondContact O-N 3.41Å; G305-G308 VanDerWaalsContact O-N 3.1Å
306P87.8Confident94.9Very high112 Ų11250.3 Ų50.373%0.72727%0.273SS*.THydrogen-bonded Turntrans-63.4-18-175.325.3-33.5000113.6
307W84Confident94.9Very high117 Ų11754.2 Ų54.244%0.44329%0.291SS..THydrogen-bonded Turntrans-107.313.5-178.9-46.7-66.6000113.5A247 G305 P348A247-W307 HydrophobicContact CB-CE3 4.34Å; G305-W307 PolarHBondContact O-N 3Å; G305-W307 VanDerWaalsContact O-N 3.07Å; W307-P348 HydrophobicContact CZ3-CG 4.02Å
308G90.7Very high94.9Very high29 Ų2954.8 Ų54.830%0.29929%0.294SS..SBendtrans95.4-176.5-176.800000114G305 H310G305-G308 PolarHBondContact O-N 3.41Å; G305-G308 VanDerWaalsContact O-N 3.1Å; G308-H310 PolarHBondContact O-ND1 3.47Å
309P95.3Very high95.1Very high67 Ų6750.1 Ų50.144%0.43529%0.286SS..SBendtrans-68.8135.1-174.728.6-34.8000111.7I297 C303I297-P309 HydrophobicContact CG2-CB 3.77Å; I297-P309 HydrophobicContact CG2-CG 3.73Å; C303-P309 WeakPolarHBondContact O-CA 3.48Å
310H96.9Very high95.1Very high10 Ų1050.1 Ų50.15%0.04629%0.285CS..BIsolated β-bridgetrans-147.6167.4-175.658.3-81.5000111.8A247 C303 D304 G308 P348 V349A247-H310 HydrophobicContact CB-CB 3.88Å; C303-H310 WeakPolarHBondContact CB-O 3.39Å; C303-H310 PolarHBondContact N-O 2.98Å; C303-H310 PolarHBondContact O-CE1 3.12Å; C303-H310 PolarHBondContact O-N 3.38Å; C303-H310 VanDerWaalsContact O-N 3.1Å; C303-H310 PolarHBondContact O-ND1 3.22Å; D304-H310 PolarHBondContact O-CE1 3.11Å; G308-H310 PolarHBondContact O-ND1 3.47Å; H310-P348 WeakPolarHBondContact CD2-CB 3.44Å; H310-V349 WeakPolarHBondContact CB-O 3.39Å
311A97.9Very high95Very high3 Ų356.1 Ų56.13%0.02530%0.302CS..EExtended strand (participates in β ladder)trans-96.3170.1166.800000110.3F272 I293 V349F272-A311 HydrophobicContact CE1-CB 4.34Å; F272-A311 HydrophobicContact CZ-CB 4.33Å; I293-A311 HydrophobicContact CG1-CB 4.32Å; I293-A311 HydrophobicContact CG2-CB 3.82Å; A311-V349 HydrophobicContact CB-CG2 4.3Å; A311-V349 PolarHBondContact N-O 3.27Å; A311-V349 WeakPolarHBondContact O-CG2 3.34Å; A311-V349 PolarHBondContact O-N 2.98Å
312K97.9Very high94.6Very high81 Ų8156.9 Ų56.935%0.35231%0.312SS..EExtended strand (participates in β ladder)trans-115.3131.9177.4-80.8179.8-178.4-176.60111L264 L265 P346 I347L264-K312 CarbonylContact C-O 3.55Å; L264-K312 VanDerWaalsContact CA-O 3.31Å; L264-K312 WeakPolarHBondContact CA-O 3.37Å; L265-K312 HydrophobicContact CB-CB 4.14Å; L265-K312 PolarHBondContact N-O 2.78Å; L265-K312 PolarHBondContact O-N 2.9Å; K312-P346 HydrophobicContact CB-CB 3.75Å; K312-P346 HydrophobicContact CD-CB 4.18Å; K312-P346 HydrophobicContact CD-CG 4.44Å; K312-P346 HydrophobicContact CG-CB 4.16Å; K312-I347 CarbonylContact C-O 3.6Å; K312-I347 WeakPolarHBondContact CA-O 3.48Å
313L98.4Very high94.5Very high0 Ų056.6 Ų56.60%031%0.308CS..EExtended strand (participates in β ladder)trans-98.6112.7171.1175.164.8000109.7T244 V253 C257 R258 L264 L315 P346 I347 V349T244-L313 HydrophobicContact CG2-CD2 4.29Å; V253-L313 HydrophobicContact CB-CD2 4.49Å; V253-L313 HydrophobicContact CG1-CD2 3.58Å; C257-L313 HydrophobicContact CB-CD2 3.86Å; R258-L313 HydrophobicContact CG-CD1 4.05Å; L264-L313 HydrophobicContact CD2-CB 4.23Å; L264-L313 HydrophobicContact CD2-CD1 4.18Å; L313-L315 HydrophobicContact CD1-CD2 4.39Å; L313-L315 HydrophobicContact CD2-CD1 4.45Å; L313-L315 HydrophobicContact CG-CD2 4.29Å; L313-L315 HydrophobicContact CG-CG 4.28Å; L313-P346 CarbonylContact O-C 3.44Å; L313-P346 VanDerWaalsContact O-CA 3.28Å; L313-P346 WeakPolarHBondContact O-CA 3.32Å; L313-P346 WeakPolarHBondContact O-CB 3.4Å; L313-I347 HydrophobicContact CB-CB 4.41Å; L313-I347 PolarHBondContact N-O 3.33Å; L313-I347 PolarHBondContact O-N 3.35Å; L313-V349 HydrophobicContact CB-CG1 4.02Å; L313-V349 HydrophobicContact CB-CG2 3.99Å
314K98.3Very high94.3Very high41 Ų4160.6 Ų60.618%0.17833%0.326CS..EExtended strand (participates in β ladder)trans-94.7132.2-177.1-172.4170.6165.571.30111.7G262 Y263 L265 D316 H317 P346G262-K314 VanDerWaalsContact CA-O 3.29Å; G262-K314 WeakPolarHBondContact CA-O 3.34Å; Y263-K314 HydrophobicContact CD2-CB 4.33Å; Y263-K314 HydrophobicContact CE2-CB 4.08Å; Y263-K314 HydrophobicContact CE2-CD 3.8Å; Y263-K314 HydrophobicContact CE2-CG 4.37Å; Y263-K314 PolarHBondContact N-O 2.95Å; Y263-K314 PolarHBondContact O-N 3.5Å; Y263-K314 VanDerWaalsContact OH-CD 3.29Å; Y263-K314 WeakPolarHBondContact OH-CD 3.45Å; Y263-K314 WeakPolarHBondContact OH-CE 3.39Å; L265-K314 HydrophobicContact CD1-CB 4.02Å; L265-K314 HydrophobicContact CD1-CD 3.72Å; L265-K314 HydrophobicContact CD1-CG 4.45Å; L265-K314 HydrophobicContact CG-CB 4.46Å; K314-D316 WeakPolarHBondContact CE-OD1 3.2Å; K314-D316 WeakPolarHBondContact CG-OD1 3.43Å; K314-D316 IonicContact NZ-OD1 3.76Å; K314-D316 PolarHBondContact NZ-OD1 3.02Å; K314-D316 IonicContact NZ-OD2 2.67Å; K314-D316 PolarHBondContact NZ-OD2 3.45Å; K314-H317 PolarHBondContact O-CE1 3.23Å; K314-P346 HydrophobicContact CB-CB 4.34Å; K314-P346 HydrophobicContact CB-CG 4.27Å; K314-P346 HydrophobicContact CG-CG 4.27Å
315L97.9Very high94.1Very high1 Ų157.2 Ų57.21%0.00531%0.314CS..  trans-137.5-16.6-174.4-61178.1000114.9C257 L313 H317 L318 L323 P342 I347C257-L315 HydrophobicContact CB-CD1 4.19Å; C257-L315 HydrophobicContact CB-CD2 3.78Å; L313-L315 HydrophobicContact CD1-CD2 4.39Å; L313-L315 HydrophobicContact CD2-CD1 4.45Å; L313-L315 HydrophobicContact CG-CD2 4.29Å; L313-L315 HydrophobicContact CG-CG 4.28Å; L315-H317 PolarHBondContact O-N 3.02Å; L315-L318 HydrophobicContact CD2-CD1 4.3Å; L315-L318 WeakPolarHBondContact O-CB 3.27Å; L315-L318 WeakPolarHBondContact O-CG 3.44Å; L315-L318 PolarHBondContact O-N 3.44Å; L315-L323 HydrophobicContact CB-CD1 4.46Å; L315-L323 HydrophobicContact CB-CD2 4.03Å; L315-P342 HydrophobicContact CB-CB 4.43Å; L315-P342 HydrophobicContact CD1-CB 4.12Å; L315-I347 HydrophobicContact CD1-CD1 3.91Å
316D96.6Very high94.2Very high49 Ų4959.7 Ų59.726%0.26231%0.314SS..G310 helixtrans-60.2-28.6-172.754.6-58.1000113.7K314 L318 G319 P342 V343K314-D316 WeakPolarHBondContact CE-OD1 3.2Å; K314-D316 WeakPolarHBondContact CG-OD1 3.43Å; K314-D316 IonicContact NZ-OD1 3.76Å; K314-D316 PolarHBondContact NZ-OD1 3.02Å; K314-D316 IonicContact NZ-OD2 2.67Å; K314-D316 PolarHBondContact NZ-OD2 3.45Å; D316-L318 PolarHBondContact O-N 3.38Å; D316-G319 PolarHBondContact O-N 3.36Å; D316-P342 PolarHBondContact N-O 3.48Å; D316-V343 WeakPolarHBondContact CB-O 3.38Å
317H97.1Very high94.4Very high86 Ų8654.4 Ų54.440%0.39828%0.279SS..G310 helixtrans-67.4-1717763-77.8000114G261 Y263 K314 L315 G319G261-H317 PolarHBondContact O-CE1 3.47Å; G261-H317 PolarHBondContact O-NE2 2.93Å; Y263-H317 AromaticContact CD1-CE1 3.56Å; Y263-H317 AromaticContact CD1-NE2 3.82Å; Y263-H317 AromaticContact CE1-CE1 3.25Å; Y263-H317 WeakPolarHBondContact CE1-CE1 3.24Å; Y263-H317 AromaticContact CE1-ND1 3.61Å; Y263-H317 AromaticContact CE1-NE2 3.58Å; K314-H317 PolarHBondContact O-CE1 3.23Å; L315-H317 PolarHBondContact O-N 3.02Å; H317-G319 PolarHBondContact O-N 3.07Å
318L96.3Very high94.9Very high36 Ų3650.7 Ų50.719%0.18827%0.27CS..G310 helixtrans-74-17.3176.4-59-179.3000112.5E260 L315 D316 V322 L323E260-L318 HydrophobicContact CB-CD1 4.09Å; E260-L318 WeakPolarHBondContact O-CD1 3.3Å; E260-L318 WeakPolarHBondContact O-CD2 3.45Å; L315-L318 HydrophobicContact CD2-CD1 4.3Å; L315-L318 WeakPolarHBondContact O-CB 3.27Å; L315-L318 WeakPolarHBondContact O-CG 3.44Å; L315-L318 PolarHBondContact O-N 3.44Å; D316-L318 PolarHBondContact O-N 3.38Å; L318-V322 HydrophobicContact CB-CG1 4.43Å; L318-V322 WeakPolarHBondContact O-CB 3.22Å; L318-V322 WeakPolarHBondContact O-CG2 3.32Å; L318-L323 HydrophobicContact CB-CD2 4.17Å; L318-L323 HydrophobicContact CB-CG 4.44Å; L318-L323 HydrophobicContact CD1-CD2 4.04Å
319G96.3Very high94.9Very high32 Ų3249.8 Ų49.833%0.3326%0.261SS..  trans82.5147.5-17800000113.2D316 H317 E321 V322 L323D316-G319 PolarHBondContact O-N 3.36Å; H317-G319 PolarHBondContact O-N 3.07Å; G319-E321 VanDerWaalsContact C-N 3.34Å; G319-E321 PolarHBondContact O-N 3.14Å; G319-V322 PolarHBondContact O-N 2.86Å; G319-L323 WeakPolarHBondContact O-CG 3.4Å; G319-L323 PolarHBondContact O-N 3.26Å
320K96Very high94.8Very high117 Ų11746.6 Ų46.651%0.50924%0.24SC..Hα-helixtrans-55.9-43.9-173.2-177.8-179.9172.5-173.60113.4V322 L323 E324 V343K320-V322 PolarHBondContact O-N 3.5Å; K320-L323 PolarHBondContact O-N 3.08Å; K320-E324 WeakPolarHBondContact CE-OE1 3.3Å; K320-E324 WeakPolarHBondContact CE-OE2 3.41Å; K320-E324 HydrophobicContact CG-CG 4.25Å; K320-E324 IonicContact NZ-OE1 3.67Å; K320-E324 WeakPolarHBondContact O-CB 3.29Å; K320-E324 WeakPolarHBondContact O-CG 3.41Å; K320-E324 PolarHBondContact O-N 3.37Å; K320-V343 HydrophobicContact CB-CG1 3.9Å; K320-V343 HydrophobicContact CG-CG1 4.14Å; K320-V343 HydrophobicContact CG-CG2 4.37Å
321E94.7Very high94.6Very high165 Ų16546.4 Ų46.477%0.77124%0.239SC*.Hα-helixtrans-63.5-42.5-176-173176.2-179.400112.3G319 E324 S325G319-E321 VanDerWaalsContact C-N 3.34Å; G319-E321 PolarHBondContact O-N 3.14Å; E321-E324 PolarHBondContact O-N 3.18Å; E321-S325 VanDerWaalsContact O-CB 3.3Å; E321-S325 WeakPolarHBondContact O-CB 3.48Å; E321-S325 PolarHBondContact O-N 3.01Å
322V91.1Very high94.4Very high60 Ų6051.6 Ų51.636%0.36426%0.263SS..Hα-helixtrans-63.3-45.2175.8176.90000110.3L318 G319 K320 S325 R326L318-V322 HydrophobicContact CB-CG1 4.43Å; L318-V322 WeakPolarHBondContact O-CB 3.22Å; L318-V322 WeakPolarHBondContact O-CG2 3.32Å; G319-V322 PolarHBondContact O-N 2.86Å; K320-V322 PolarHBondContact O-N 3.5Å; V322-S325 PolarHBondContact O-N 2.9Å; V322-R326 HydrophobicContact CG1-CG 4.2Å; V322-R326 WeakPolarHBondContact O-CB 3.49Å; V322-R326 WeakPolarHBondContact O-CG 3.35Å; V322-R326 PolarHBondContact O-N 3.33Å
323L94.1Very high94.2Very high0 Ų049.8 Ų49.80%026%0.257CS..Hα-helixtrans-63.6-44.4-179.9-63.7177.3000112.1L315 L318 G319 K320 S325 L327 L331 V343L315-L323 HydrophobicContact CB-CD1 4.46Å; L315-L323 HydrophobicContact CB-CD2 4.03Å; L318-L323 HydrophobicContact CB-CD2 4.17Å; L318-L323 HydrophobicContact CB-CG 4.44Å; L318-L323 HydrophobicContact CD1-CD2 4.04Å; G319-L323 WeakPolarHBondContact O-CG 3.4Å; G319-L323 PolarHBondContact O-N 3.26Å; K320-L323 PolarHBondContact O-N 3.08Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 2.96Å; L323-L327 HydrophobicContact CD2-CD1 3.89Å; L323-L327 CarbonylContact O-C 3.2Å; L323-L327 WeakPolarHBondContact O-CA 3.4Å; L323-L327 PolarHBondContact O-N 3.49Å; L323-L331 HydrophobicContact CB-CD1 4.08Å; L323-L331 HydrophobicContact CB-CD2 4.16Å; L323-L331 HydrophobicContact CB-CG 4.48Å; L323-L331 HydrophobicContact CD1-CD2 4.46Å; L323-V343 HydrophobicContact CD1-CG2 3.94Å
324E93Very high94.1Very high91 Ų9149.8 Ų49.843%0.42526%0.257SS..Hα-helixtrans-68.4-30.9179.5-72.8179.7158.100112.7K320 E321 L331K320-E324 WeakPolarHBondContact CE-OE1 3.3Å; K320-E324 WeakPolarHBondContact CE-OE2 3.41Å; K320-E324 HydrophobicContact CG-CG 4.25Å; K320-E324 IonicContact NZ-OE1 3.67Å; K320-E324 WeakPolarHBondContact O-CB 3.29Å; K320-E324 WeakPolarHBondContact O-CG 3.41Å; K320-E324 PolarHBondContact O-N 3.37Å; E321-E324 PolarHBondContact O-N 3.18Å; E324-L331 HydrophobicContact CG-CD1 3.79Å
325S89.2Confident94Very high74 Ų7452.7 Ų52.752%0.51727%0.267SS..Hα-helixtrans-81.2-46.8177.8178.20000113E321 V322 L323E321-S325 VanDerWaalsContact O-CB 3.3Å; E321-S325 WeakPolarHBondContact O-CB 3.48Å; E321-S325 PolarHBondContact O-N 3.01Å; V322-S325 PolarHBondContact O-N 2.9Å; L323-S325 VanDerWaalsContact C-N 3.32Å; L323-S325 PolarHBondContact O-N 2.96Å
326R88.4Confident93.8Very high82 Ų8256.3 Ų56.331%0.30929%0.289SS..Hα-helixtrans-96.2-27.2-169-58.6-64.4-178.1-174.4-2.6114.2E260 V322 P328E260-R326 HydrophobicContact CG-CB 4.27Å; V322-R326 HydrophobicContact CG1-CG 4.2Å; V322-R326 WeakPolarHBondContact O-CB 3.49Å; V322-R326 WeakPolarHBondContact O-CG 3.35Å; V322-R326 PolarHBondContact O-N 3.33Å; R326-P328 VanDerWaalsContact C-CD 3.44Å
327L93.3Very high93.7Very high1 Ų158.2 Ų58.21%0.00530%0.296CS..  trans-133.439.7-171.9-57.2170.9000113.7D139 T254 C257 E260 L323 G329 I330 L331D139-L327 WeakPolarHBondContact OD2-CA 3.38Å; T254-L327 HydrophobicContact CG2-CD2 3.86Å; C257-L327 HydrophobicContact CB-CD1 4.4Å; E260-L327 HydrophobicContact CB-CD1 4.41Å; E260-L327 HydrophobicContact CG-CD1 4.21Å; E260-L327 HydrophobicContact CG-CD2 4.31Å; E260-L327 HydrophobicContact CG-CG 4.31Å; L323-L327 HydrophobicContact CD2-CD1 3.89Å; L323-L327 CarbonylContact O-C 3.2Å; L323-L327 WeakPolarHBondContact O-CA 3.4Å; L323-L327 PolarHBondContact O-N 3.49Å; L327-G329 PolarHBondContact O-N 2.72Å; L327-I330 HydrophobicContact CB-CB 4.38Å; L327-I330 HydrophobicContact CB-CG1 4.5Å; L327-I330 PolarHBondContact O-N 3.35Å; L327-L331 PolarHBondContact O-N 2.67Å
328P93.1Very high93.5Very high39 Ų3954.3 Ų54.325%0.25328%0.278SS..Hα-helixtrans-63.2-38-173.625.4-34.5000113.6D139 R326 I330 L331 E332D139-P328 VanDerWaalsContact OD1-CD 3.31Å; D139-P328 WeakPolarHBondContact OD1-CD 3.27Å; D139-P328 WeakPolarHBondContact OD1-CG 3.33Å; R326-P328 VanDerWaalsContact C-CD 3.44Å; P328-I330 VanDerWaalsContact C-N 3.33Å; P328-I330 PolarHBondContact O-N 2.88Å; P328-L331 PolarHBondContact O-N 3.49Å; P328-E332 PolarHBondContact O-N 3.47Å
329G90.9Very high93.4Very high10 Ų1059.8 Ų59.810%0.10330%0.302CS..Hα-helixtrans-63.3-39177.300000112.1D139 L327 E332 L333D139-G329 PolarHBondContact OD1-N 3.37Å; D139-G329 VanDerWaalsContact OD2-CA 3.27Å; D139-G329 WeakPolarHBondContact OD2-CA 3.5Å; D139-G329 PolarHBondContact OD2-N 3.02Å; L327-G329 PolarHBondContact O-N 2.72Å; G329-E332 PolarHBondContact O-N 3.36Å; G329-L333 VanDerWaalsContact O-CG 3.28Å; G329-L333 WeakPolarHBondContact O-CG 3.46Å; G329-L333 PolarHBondContact O-N 3.31Å
330I93Very high93.3Very high0 Ų059 Ų590%029%0.291CS..Hα-helixtrans-65.6-39.8177.4-59.3-51.7000112.6D139 V253 T254 L327 P328 E332 L333 S334 I347D139-I330 PolarHBondContact OD2-N 3.48Å; D139-I330 VanDerWaalsContact OD2-N 3.13Å; V253-I330 HydrophobicContact CG1-CD1 4.24Å; V253-I330 HydrophobicContact CG1-CG2 3.74Å; T254-I330 HydrophobicContact CG2-CD1 3.84Å; T254-I330 HydrophobicContact CG2-CG1 3.65Å; L327-I330 HydrophobicContact CB-CB 4.38Å; L327-I330 HydrophobicContact CB-CG1 4.5Å; L327-I330 PolarHBondContact O-N 3.35Å; P328-I330 VanDerWaalsContact C-N 3.33Å; P328-I330 PolarHBondContact O-N 2.88Å; I330-E332 VanDerWaalsContact C-N 3.27Å; I330-E332 PolarHBondContact O-N 2.87Å; I330-L333 HydrophobicContact CD1-CD1 4.44Å; I330-L333 PolarHBondContact O-N 3.2Å; I330-S334 VanDerWaalsContact O-CB 3.28Å; I330-S334 WeakPolarHBondContact O-CB 3.41Å; I330-S334 PolarHBondContact O-N 2.9Å; I330-I347 HydrophobicContact CG2-CD1 3.93Å
331L93.8Very high93.3Very high6 Ų655 Ų553%0.03128%0.275CS..Hα-helixtrans-58.5-43.7176.7-65-179.1000110.8L323 E324 L327 P328 R335 P342 V343L323-L331 HydrophobicContact CB-CD1 4.08Å; L323-L331 HydrophobicContact CB-CD2 4.16Å; L323-L331 HydrophobicContact CB-CG 4.48Å; L323-L331 HydrophobicContact CD1-CD2 4.46Å; E324-L331 HydrophobicContact CG-CD1 3.79Å; L327-L331 PolarHBondContact O-N 2.67Å; P328-L331 PolarHBondContact O-N 3.49Å; L331-R335 WeakPolarHBondContact O-CB 3.15Å; L331-R335 VanDerWaalsContact O-CD 3.29Å; L331-R335 WeakPolarHBondContact O-CD 3.46Å; L331-R335 WeakPolarHBondContact O-CG 3.47Å; L331-R335 PolarHBondContact O-N 3.21Å; L331-P342 HydrophobicContact CD2-CB 3.79Å; L331-P342 HydrophobicContact CD2-CG 3.75Å; L331-V343 HydrophobicContact CD2-CG2 4.16Å
332E93.7Very high93.4Very high113 Ų11347.1 Ų47.153%0.52824%0.239SC..Hα-helixtrans-65.3-50.3176.9-172.1178.1177.600111.8R140 P328 G329 I330 S334 R335 T336R140-E332 IonicContact NH2-OE2 2.67Å; P328-E332 PolarHBondContact O-N 3.47Å; G329-E332 PolarHBondContact O-N 3.36Å; I330-E332 VanDerWaalsContact C-N 3.27Å; I330-E332 PolarHBondContact O-N 2.87Å; E332-S334 PolarHBondContact O-N 3.22Å; E332-R335 PolarHBondContact O-N 3.3Å; E332-T336 WeakPolarHBondContact O-CB 3.5Å; E332-T336 PolarHBondContact O-N 3.4Å; E332-T336 PolarHBondContact O-OG1 3.28Å; E332-T336 VanDerWaalsContact O-OG1 3.07Å
333L93.7Very high93.7Very high43 Ų4345.9 Ų45.923%0.22523%0.231CC..Hα-helixtrans-61.8-42.2-179.3-67.4173.8000112.3V251 G329 I330 T336 F337V251-L333 HydrophobicContact CG1-CB 4.3Å; V251-L333 HydrophobicContact CG1-CD1 4.01Å; V251-L333 HydrophobicContact CG1-CD2 4.03Å; V251-L333 HydrophobicContact CG1-CG 4.34Å; G329-L333 VanDerWaalsContact O-CG 3.28Å; G329-L333 WeakPolarHBondContact O-CG 3.46Å; G329-L333 PolarHBondContact O-N 3.31Å; I330-L333 HydrophobicContact CD1-CD1 4.44Å; I330-L333 PolarHBondContact O-N 3.2Å; L333-T336 PolarHBondContact O-N 3.1Å; L333-F337 HydrophobicContact CB-CD2 4.39Å; L333-F337 HydrophobicContact CD2-CD2 3.99Å; L333-F337 HydrophobicContact CD2-CE2 3.66Å; L333-F337 WeakPolarHBondContact O-CB 3.29Å; L333-F337 WeakPolarHBondContact O-CD2 3.27Å; L333-F337 PolarHBondContact O-N 2.82Å
334S94.8Very high93.8Very high0 Ų053.3 Ų53.30%026%0.263CS..Iπ-helixtrans-63.5-45177.8-178.90000111.8I330 E332 T336 A338 H339 V340 P342I330-S334 VanDerWaalsContact O-CB 3.28Å; I330-S334 WeakPolarHBondContact O-CB 3.41Å; I330-S334 PolarHBondContact O-N 2.9Å; E332-S334 PolarHBondContact O-N 3.22Å; S334-T336 VanDerWaalsContact C-N 3.32Å; S334-T336 PolarHBondContact O-N 3.09Å; S334-A338 CarbonylContact O-C 3.26Å; S334-A338 VanDerWaalsContact O-CA 3.32Å; S334-A338 WeakPolarHBondContact O-CA 3.36Å; S334-A338 VanDerWaalsContact O-CB 3.27Å; S334-A338 WeakPolarHBondContact O-CB 3.37Å; S334-A338 PolarHBondContact O-N 3.31Å; S334-H339 PolarHBondContact O-N 2.86Å; S334-V340 CarbonylContact C-O 3.16Å; S334-V340 VanDerWaalsContact C-O 3.26Å; S334-V340 PolarHBondContact O-N 3.47Å; S334-V340 PolarHBondContact OG-O 2.99Å; S334-P342 WeakPolarHBondContact OG-CG 3.28Å
335R96.1Very high94Very high102 Ų10253.3 Ų53.339%0.38526%0.263SS..Iπ-helixtrans-64.8-38.5178.9-70.3166.9-174158.10.4111.6L331 E332 H339 V340 D341L331-R335 WeakPolarHBondContact O-CB 3.15Å; L331-R335 VanDerWaalsContact O-CD 3.29Å; L331-R335 WeakPolarHBondContact O-CD 3.46Å; L331-R335 WeakPolarHBondContact O-CG 3.47Å; L331-R335 PolarHBondContact O-N 3.21Å; E332-R335 PolarHBondContact O-N 3.3Å; R335-H339 WeakPolarHBondContact O-CA 3.48Å; R335-V340 WeakPolarHBondContact CA-O 3.18Å; R335-V340 PolarHBondContact N-O 2.71Å; R335-D341 IonicContact CZ-OD1 2.77Å; R335-D341 IonicContact NE-OD1 3.34Å; R335-D341 PolarHBondContact NE-OD1 2.79Å; R335-D341 IonicContact NH2-OD1 3.67Å; R335-D341 PolarHBondContact NH2-OD1 3.29Å; R335-D341 IonicContact NH2-OD2 3.05Å
336T95.2Very high94.3Very high77 Ų7751.2 Ų51.247%0.47225%0.248SC..Iπ-helixtrans-74.2-48.4-179.2-61.90000112.9E332 L333 S334 H339E332-T336 WeakPolarHBondContact O-CB 3.5Å; E332-T336 PolarHBondContact O-N 3.4Å; E332-T336 PolarHBondContact O-OG1 3.28Å; E332-T336 VanDerWaalsContact O-OG1 3.07Å; L333-T336 PolarHBondContact O-N 3.1Å; S334-T336 VanDerWaalsContact C-N 3.32Å; S334-T336 PolarHBondContact O-N 3.09Å; T336-H339 PolarHBondContact O-CE1 3.4Å
337F93.6Very high94.8Very high89 Ų8947.3 Ų47.339%0.3923%0.233SC..Iπ-helixtrans-104.2-25.2-167.8-64.3-72000114.5I246 A249 V251 L333I246-F337 HydrophobicContact CD1-CB 3.98Å; A249-F337 HydrophobicContact CB-CB 4.05Å; A249-F337 HydrophobicContact CB-CD1 4.4Å; V251-F337 HydrophobicContact CB-CD2 4.4Å; V251-F337 HydrophobicContact CG1-CD2 4.22Å; V251-F337 HydrophobicContact CG2-CB 4.38Å; V251-F337 HydrophobicContact CG2-CD1 4.15Å; V251-F337 HydrophobicContact CG2-CD2 3.89Å; V251-F337 HydrophobicContact CG2-CE1 4.42Å; V251-F337 HydrophobicContact CG2-CE2 4.18Å; V251-F337 HydrophobicContact CG2-CG 3.88Å; V251-F337 HydrophobicContact CG2-CZ 4.43Å; L333-F337 HydrophobicContact CB-CD2 4.39Å; L333-F337 HydrophobicContact CD2-CD2 3.99Å; L333-F337 HydrophobicContact CD2-CE2 3.66Å; L333-F337 WeakPolarHBondContact O-CB 3.29Å; L333-F337 WeakPolarHBondContact O-CD2 3.27Å; L333-F337 PolarHBondContact O-N 2.82Å
338A93.3Very high95Very high4 Ų447.7 Ų47.73%0.03324%0.236CC..Iπ-helixtrans-103.6-10.2175.100000112.8I246 S334 V340 I347 P348I246-A338 HydrophobicContact CD1-CB 4.36Å; I246-A338 HydrophobicContact CG2-CB 3.78Å; S334-A338 CarbonylContact O-C 3.26Å; S334-A338 VanDerWaalsContact O-CA 3.32Å; S334-A338 WeakPolarHBondContact O-CA 3.36Å; S334-A338 VanDerWaalsContact O-CB 3.27Å; S334-A338 WeakPolarHBondContact O-CB 3.37Å; S334-A338 PolarHBondContact O-N 3.31Å; A338-V340 HydrophobicContact CB-CB 4.19Å; A338-V340 PolarHBondContact O-N 2.8Å; A338-I347 HydrophobicContact CB-CG2 4.35Å; A338-P348 HydrophobicContact CB-CG 3.99Å
339H94.2Very high95.2Very high150 Ų15045.9 Ų45.969%0.69422%0.224SC*.  trans5433.6-171.3-55.3-56.2000113.2S334 R335 T336S334-H339 PolarHBondContact O-N 2.86Å; R335-H339 WeakPolarHBondContact O-CA 3.48Å; T336-H339 PolarHBondContact O-CE1 3.4Å
340V94.7Very high95.4Very high17 Ų1747.5 Ų47.510%0.10323%0.23CC..  trans-124133.3-176157.30000109.5S334 R335 A338 P342 E345 I347S334-V340 CarbonylContact C-O 3.16Å; S334-V340 VanDerWaalsContact C-O 3.26Å; S334-V340 PolarHBondContact O-N 3.47Å; S334-V340 PolarHBondContact OG-O 2.99Å; R335-V340 WeakPolarHBondContact CA-O 3.18Å; R335-V340 PolarHBondContact N-O 2.71Å; A338-V340 HydrophobicContact CB-CB 4.19Å; A338-V340 PolarHBondContact O-N 2.8Å; V340-P342 WeakPolarHBondContact O-CD 3.42Å; V340-E345 HydrophobicContact CB-CG 4.26Å; V340-E345 HydrophobicContact CG1-CG 3.51Å; V340-E345 HydrophobicContact CG2-CG 4.13Å; V340-I347 HydrophobicContact CG1-CG1 4.4Å
341D96.5Very high95.6Very high32 Ų3248 Ų4817%0.17123%0.233CC..  trans-92108169.8-173.711.3000110.2R335 V343 K344 E345R335-D341 IonicContact CZ-OD1 2.77Å; R335-D341 IonicContact NE-OD1 3.34Å; R335-D341 PolarHBondContact NE-OD1 2.79Å; R335-D341 IonicContact NH2-OD1 3.67Å; R335-D341 PolarHBondContact NH2-OD1 3.29Å; R335-D341 IonicContact NH2-OD2 3.05Å; D341-V343 PolarHBondContact O-N 2.78Å; D341-K344 HydrophobicContact CB-CD 4.39Å; D341-K344 PolarHBondContact O-N 2.84Å; D341-K344 WeakPolarHBondContact OD2-CE 3.34Å; D341-K344 IonicContact OD2-NZ 3.92Å; D341-E345 PolarHBondContact O-N 2.97Å
342P96.5Very high95.8Very high0 Ų047.9 Ų47.90%023%0.233CC..THydrogen-bonded Turntrans-64-13.7-174.7-22.534.8000114.7L315 D316 L331 S334 V340 K344 E345 I347L315-P342 HydrophobicContact CB-CB 4.43Å; L315-P342 HydrophobicContact CD1-CB 4.12Å; D316-P342 PolarHBondContact N-O 3.48Å; L331-P342 HydrophobicContact CD2-CB 3.79Å; L331-P342 HydrophobicContact CD2-CG 3.75Å; S334-P342 WeakPolarHBondContact OG-CG 3.28Å; V340-P342 WeakPolarHBondContact O-CD 3.42Å; P342-K344 PolarHBondContact O-N 2.87Å; P342-E345 WeakPolarHBondContact CA-O 3.29Å; P342-I347 HydrophobicContact CB-CD1 4.12Å; P342-I347 HydrophobicContact CB-CG1 4.16Å; P342-I347 HydrophobicContact CG-CD1 3.75Å; P342-I347 HydrophobicContact CG-CG1 3.91Å
343V96.7Very high96Very high34 Ų3442.5 Ų42.521%0.20621%0.207CC..THydrogen-bonded Turntrans-71.6-18.8173.2-177.10000111.6D316 K320 L323 L331 D341D316-V343 WeakPolarHBondContact CB-O 3.38Å; K320-V343 HydrophobicContact CB-CG1 3.9Å; K320-V343 HydrophobicContact CG-CG1 4.14Å; K320-V343 HydrophobicContact CG-CG2 4.37Å; L323-V343 HydrophobicContact CD1-CG2 3.94Å; L331-V343 HydrophobicContact CD2-CG2 4.16Å; D341-V343 PolarHBondContact O-N 2.78Å
344K96.7Very high96.2Very high155 Ų15541.5 Ų41.567%0.67420%0.202SC*.THydrogen-bonded Turntrans-121.1-36.7-172.6-62177.2-173.6169.10113.1D341 P342D341-K344 HydrophobicContact CB-CD 4.39Å; D341-K344 PolarHBondContact O-N 2.84Å; D341-K344 WeakPolarHBondContact OD2-CE 3.34Å; D341-K344 IonicContact OD2-NZ 3.92Å; P342-K344 PolarHBondContact O-N 2.87Å
345E96.1Very high96.4Very high91 Ų9141.7 Ų41.743%0.42520%0.202SC..SBendtrans-145.5155.2-174.171.3-166.6137.400112.5V340 D341 P342V340-E345 HydrophobicContact CB-CG 4.26Å; V340-E345 HydrophobicContact CG1-CG 3.51Å; V340-E345 HydrophobicContact CG2-CG 4.13Å; D341-E345 PolarHBondContact O-N 2.97Å; P342-E345 WeakPolarHBondContact CA-O 3.29Å
346P97.2Very high96.5Very high30 Ų3036.9 Ų36.920%0.19518%0.184CC..PPolyproline II helixtrans-69.5145.9-178-20.233.6000114K312 L313 K314K312-P346 HydrophobicContact CB-CB 3.75Å; K312-P346 HydrophobicContact CD-CB 4.18Å; K312-P346 HydrophobicContact CD-CG 4.44Å; K312-P346 HydrophobicContact CG-CB 4.16Å; L313-P346 CarbonylContact O-C 3.44Å; L313-P346 VanDerWaalsContact O-CA 3.28Å; L313-P346 WeakPolarHBondContact O-CA 3.32Å; L313-P346 WeakPolarHBondContact O-CB 3.4Å; K314-P346 HydrophobicContact CB-CB 4.34Å; K314-P346 HydrophobicContact CB-CG 4.27Å; K314-P346 HydrophobicContact CG-CG 4.27Å
347I97.3Very high96.7Very high0 Ų033.3 Ų33.30%016%0.162CC..EExtended strand (participates in β ladder)trans-78.4131.4178.7-48.6175.7000110.2I246 V253 K312 L313 L315 I330 A338 V340 P342 V349I246-I347 HydrophobicContact CG1-CG2 4.38Å; V253-I347 HydrophobicContact CG1-CD1 4.14Å; V253-I347 HydrophobicContact CG2-CG2 4.29Å; K312-I347 CarbonylContact C-O 3.6Å; K312-I347 WeakPolarHBondContact CA-O 3.48Å; L313-I347 HydrophobicContact CB-CB 4.41Å; L313-I347 PolarHBondContact N-O 3.33Å; L313-I347 PolarHBondContact O-N 3.35Å; L315-I347 HydrophobicContact CD1-CD1 3.91Å; I330-I347 HydrophobicContact CG2-CD1 3.93Å; A338-I347 HydrophobicContact CB-CG2 4.35Å; V340-I347 HydrophobicContact CG1-CG1 4.4Å; P342-I347 HydrophobicContact CB-CD1 4.12Å; P342-I347 HydrophobicContact CB-CG1 4.16Å; P342-I347 HydrophobicContact CG-CD1 3.75Å; P342-I347 HydrophobicContact CG-CG1 3.91Å; I347-V349 HydrophobicContact CB-CG1 4.36Å; I347-V349 HydrophobicContact CG2-CG1 4.1Å; I347-V349 PolarHBondContact O-N 3.49Å
348P97.2Very high96.9Very high10 Ų1029.1 Ų29.17%0.06514%0.144CC..EExtended strand (participates in β ladder)trans-72.3122.1172.930.2-34.7000110.8A247 W307 H310 A338A247-P348 HydrophobicContact CB-CB 4.15Å; A247-P348 PolarHBondContact N-O 3.22Å; W307-P348 HydrophobicContact CZ3-CG 4.02Å; H310-P348 WeakPolarHBondContact CD2-CB 3.44Å; A338-P348 HydrophobicContact CB-CG 3.99Å
349V97.6Very high97.2Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-135.5146.5-171.5-68.20000113.3T244 G245 V253 L264 H310 A311 L313 I347T244-V349 HydrophobicContact CG2-CB 4.11Å; T244-V349 HydrophobicContact CG2-CG1 4.17Å; T244-V349 HydrophobicContact CG2-CG2 4.04Å; G245-V349 CarbonylContact O-C 3.57Å; G245-V349 VanDerWaalsContact O-CA 3.24Å; G245-V349 WeakPolarHBondContact O-CA 3.34Å; V253-V349 HydrophobicContact CG2-CG1 4.44Å; L264-V349 HydrophobicContact CD2-CG2 3.94Å; H310-V349 WeakPolarHBondContact CB-O 3.39Å; A311-V349 HydrophobicContact CB-CG2 4.3Å; A311-V349 PolarHBondContact N-O 3.27Å; A311-V349 WeakPolarHBondContact O-CG2 3.34Å; A311-V349 PolarHBondContact O-N 2.98Å; L313-V349 HydrophobicContact CB-CG1 4.02Å; L313-V349 HydrophobicContact CB-CG2 3.99Å; I347-V349 HydrophobicContact CB-CG1 4.36Å; I347-V349 HydrophobicContact CG2-CG1 4.1Å; I347-V349 PolarHBondContact O-N 3.49Å
350I96.4Very high97.4Very high44 Ų4421.8 Ų21.823%0.22611%0.109CC..EExtended strand (participates in β ladder)trans-144.3149.6176.6-165.4170.5000110.6P243 G245 A247 I297 T352P243-I350 CarbonylContact O-C 3.52Å; G245-I350 PolarHBondContact N-O 2.85Å; G245-I350 PolarHBondContact O-N 3.46Å; A247-I350 HydrophobicContact CB-CG2 4.41Å; I297-I350 HydrophobicContact CD1-CD1 4.38Å; I297-I350 HydrophobicContact CD1-CG1 4.29Å; I350-T352 PolarHBondContact O-N 2.78Å; I350-T352 PolarHBondContact O-OG1 3.03Å; I350-T352 VanDerWaalsContact O-OG1 3.1Å
351P97Very high97.6Very high12 Ų1221 Ų218%0.07811%0.105CC..EExtended strand (participates in β ladder)trans-54.4128.9170.7-31.539.4000112.1F241 H242 A290 I293 M294 V473F241-P351 HydrophobicContact CB-CB 4.25Å; H242-P351 VanDerWaalsContact O-CA 3.27Å; H242-P351 WeakPolarHBondContact O-CA 3.19Å; A290-P351 HydrophobicContact CB-CB 4.06Å; A290-P351 HydrophobicContact CB-CG 4.08Å; A290-P351 WeakPolarHBondContact O-CG 3.16Å; I293-P351 HydrophobicContact CB-CG 3.91Å; I293-P351 HydrophobicContact CD1-CG 4.07Å; I293-P351 HydrophobicContact CG2-CG 4.01Å; M294-P351 HydrophobicContact CG-CB 4.48Å; M294-P351 HydrophobicContact CG-CG 4.05Å; M294-P351 HydrophobicContact SD-CB 4.48Å; M294-P351 HydrophobicContact SD-CG 4.12Å; P351-V473 HydrophobicContact CB-CG2 3.97Å
352T97.1Very high97.7Very high2 Ų219.7 Ų19.71%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-135.3138-174.1-60.90000109.8T212 T213 F241 H242 I350 H354T212-T352 VanDerWaalsContact CA-CG2 3.49Å; T213-T352 HydrophobicContact CG2-CG2 3.81Å; F241-T352 CarbonylContact C-O 3.4Å; F241-T352 VanDerWaalsContact CA-O 3.27Å; F241-T352 WeakPolarHBondContact CA-O 3.4Å; H242-T352 PolarHBondContact N-O 2.71Å; H242-T352 PolarHBondContact O-N 3.15Å; I350-T352 PolarHBondContact O-N 2.78Å; I350-T352 PolarHBondContact O-OG1 3.03Å; I350-T352 VanDerWaalsContact O-OG1 3.1Å; T352-H354 PolarHBondContact O-N 2.84Å
353C97.8Very high97.7Very high0 Ų023.7 Ų23.70%012%0.115CC..EExtended strand (participates in β ladder)trans-54.2131.3177.9173.20000109.9Y209 S211 T212 T213 F241Y209-C353 HydrophobicContact CD2-CB 3.75Å; Y209-C353 WeakPolarHBondContact CD2-SG 3.3Å; Y209-C353 HydrophobicContact CE2-CB 4.4Å; Y209-C353 HydrophobicContact CG-CB 3.85Å; S211-C353 WeakPolarHBondContact O-CB 3.37Å; S211-C353 PolarHBondContact O-N 3.47Å; T212-C353 CarbonylContact C-O 3.53Å; T212-C353 VanDerWaalsContact CA-O 3.29Å; T212-C353 WeakPolarHBondContact CA-O 3.43Å; T212-C353 PolarHBondContact OG1-O 2.78Å; T212-C353 VanDerWaalsContact OG1-O 3.09Å; T213-C353 PolarHBondContact N-O 3.38Å; F241-C353 HydrophobicContact CD1-CB 4.25Å; F241-C353 HydrophobicContact CE1-CB 3.98Å
354H98Very high97.7Very high22 Ų2223.5 Ų23.510%0.10211%0.114CC..EExtended strand (participates in β ladder)trans-135.4-45.5-167.4-179.461000114.3T213 N214 Q240 H242 R286 T352 R399T213-H354 HydrophobicContact CG2-CB 4.4Å; T213-H354 PolarHBondContact OG1-ND1 2.76Å; N214-H354 PolarHBondContact ND2-O 3.25Å; Q240-H354 WeakPolarHBondContact O-CB 3.41Å; Q240-H354 PolarHBondContact O-N 3.06Å; H242-H354 HydrophobicContact CB-CB 3.59Å; R286-H354 PolarHBondContact NH1-CD2 3.24Å; T352-H354 PolarHBondContact O-N 2.84Å; H354-R399 PolarHBondContact NE2-NH2 2.84Å
355Y98.6Very high97.8Very high4 Ų417.4 Ų17.42%0.0169%0.09CC..EExtended strand (participates in β ladder)trans-147141.8-172.7-176.7-92.1000111Q240 M357 E388 H395 R399 S404 D407Q240-Y355 PolarHBondContact N-O 3.23Å; Q240-Y355 PolarHBondContact O-N 2.86Å; Y355-M357 HydrophobicContact CD1-CG 4.05Å; Y355-M357 HydrophobicContact CD1-SD 3.72Å; Y355-M357 HydrophobicContact CE1-CG 4.09Å; Y355-M357 HydrophobicContact CE1-SD 4.36Å; Y355-E388 WeakPolarHBondContact CA-OE1 3.43Å; Y355-E388 HydrophobicContact CD2-CG 3.84Å; Y355-E388 VanDerWaalsContact CD2-OE1 3.28Å; Y355-E388 WeakPolarHBondContact CD2-OE1 3.38Å; Y355-E388 HydrophobicContact CE2-CB 3.77Å; Y355-E388 VanDerWaalsContact CE2-CD 3.42Å; Y355-E388 HydrophobicContact CE2-CG 3.41Å; Y355-E388 VanDerWaalsContact CE2-CG 3.41Å; Y355-H395 AromaticContact CE1-CD2 3.89Å; Y355-H395 AromaticContact CZ-CD2 3.98Å; Y355-H395 PolarHBondContact OH-CD2 3.21Å; Y355-H395 VanDerWaalsContact OH-CD2 3.22Å; Y355-H395 PolarHBondContact OH-NE2 2.87Å; Y355-H395 VanDerWaalsContact OH-NE2 3.11Å; Y355-R399 HydrophobicContact CD1-CB 4.21Å; Y355-R399 HydrophobicContact CE1-CB 4.26Å; Y355-R399 VanDerWaalsContact CE1-CD 3.45Å; Y355-R399 HydrophobicContact CE1-CG 4.44Å; Y355-S404 WeakPolarHBondContact CE2-OG 3.38Å; Y355-D407 PolarHBondContact OH-OD2 3.35Å
356M98.6Very high97.9Very high1 Ų113.1 Ų13.11%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-95.7113.8175.3-170.5177.777.700108.9A205 V223 M236 W239 G358 E388 I389 T522A205-M356 HydrophobicContact CB-SD 3.99Å; V223-M356 HydrophobicContact CG2-CE 3.97Å; V223-M356 HydrophobicContact CG2-SD 4.38Å; M236-M356 HydrophobicContact CE-SD 3.88Å; W239-M356 HydrophobicContact CE3-CB 4.25Å; W239-M356 HydrophobicContact CH2-CB 3.9Å; W239-M356 HydrophobicContact CH2-CG 3.79Å; W239-M356 HydrophobicContact CH2-SD 3.8Å; W239-M356 HydrophobicContact CZ2-CB 4.46Å; W239-M356 HydrophobicContact CZ2-CG 3.91Å; W239-M356 HydrophobicContact CZ2-SD 3.97Å; W239-M356 HydrophobicContact CZ3-CB 3.76Å; W239-M356 HydrophobicContact CZ3-CG 4.12Å; M356-G358 WeakPolarHBondContact CE-O 3.37Å; M356-E388 HydrophobicContact CB-CG 4.33Å; M356-E388 WeakPolarHBondContact CE-O 3.27Å; M356-E388 PolarHBondContact N-OE1 3.25Å; M356-I389 HydrophobicContact CE-CD1 4.47Å; M356-T522 HydrophobicContact SD-CG2 4.5Å
357M98.8Very high97.9Very high3 Ų312 Ų122%0.0156%0.062CC..  trans-81.8-30.5175.7-73.177.177.600112.4M238 Q240 Y355 C391 H395 G396 A397 R399 A539M238-M357 VanDerWaalsContact C-CE 3.46Å; M238-M357 HydrophobicContact CB-CB 3.93Å; M238-M357 HydrophobicContact CB-CE 3.96Å; M238-M357 WeakPolarHBondContact O-CE 3.49Å; M238-M357 PolarHBondContact O-N 3.36Å; Q240-M357 HydrophobicContact CB-CE 3.74Å; Q240-M357 HydrophobicContact CB-SD 3.38Å; Q240-M357 WeakPolarHBondContact CB-SD 3.46Å; Y355-M357 HydrophobicContact CD1-CG 4.05Å; Y355-M357 HydrophobicContact CD1-SD 3.72Å; Y355-M357 HydrophobicContact CE1-CG 4.09Å; Y355-M357 HydrophobicContact CE1-SD 4.36Å; M357-C391 PolarHBondContact O-SG 3.39Å; M357-H395 HydrophobicContact CB-CB 4.39Å; M357-H395 HydrophobicContact CG-CB 3.86Å; M357-G396 VanDerWaalsContact CB-O 3.28Å; M357-G396 WeakPolarHBondContact CB-O 3.49Å; M357-A397 WeakPolarHBondContact CE-O 3.34Å; M357-R399 HydrophobicContact CG-CB 4.11Å; M357-R399 HydrophobicContact SD-CB 4.34Å; M357-A539 HydrophobicContact CE-CB 3.67Å
358G98.7Very high98Very high0 Ų012 Ų120%06%0.062CC..  trans-70175.2170.900000112.8Q234 D235 M356Q234-G358 CarbonylContact O-C 3.58Å; Q234-G358 WeakPolarHBondContact O-CA 3.44Å; D235-G358 WeakPolarHBondContact O-CA 3.4Å; M356-G358 WeakPolarHBondContact CE-O 3.37Å
359G98.8Very high98Very high0 Ų011.7 Ų11.70%06%0.06CC..BIsolated β-bridgetrans156.4-158.7-177.100000112.1V233 Q234 I389V233-G359 CarbonylContact C-O 3.57Å; V233-G359 WeakPolarHBondContact CA-O 3.49Å; Q234-G359 PolarHBondContact N-O 2.98Å; Q234-G359 PolarHBondContact O-N 3.31Å; G359-I389 CarbonylContact C-O 3.38Å; G359-I389 VanDerWaalsContact CA-O 3.27Å; G359-I389 WeakPolarHBondContact CA-O 3.32Å
360I98.8Very high97.9Very high0 Ų013.7 Ų13.70%07%0.072CC..EExtended strand (participates in β ladder)trans-76.4121.3177.6-59.7172.3000108.6L200 A226 V231 A368 A385 I389 A390 C391L200-I360 HydrophobicContact CB-CD1 4.49Å; L200-I360 HydrophobicContact CD1-CD1 3.37Å; A226-I360 HydrophobicContact CB-CD1 3.63Å; A226-I360 HydrophobicContact CB-CG1 3.95Å; V231-I360 HydrophobicContact CG1-CG2 4.1Å; I360-A368 HydrophobicContact CG2-CB 3.77Å; I360-A385 HydrophobicContact CB-CB 4.06Å; I360-A385 HydrophobicContact CD1-CB 4.18Å; I360-A385 HydrophobicContact CG2-CB 4.26Å; I360-I389 HydrophobicContact CD1-CD1 4.38Å; I360-I389 HydrophobicContact CD1-CG1 4.04Å; I360-I389 HydrophobicContact CG1-CD1 4.49Å; I360-I389 HydrophobicContact CG1-CG1 4.44Å; I360-I389 PolarHBondContact N-O 3Å; I360-A390 CarbonylContact O-C 3.59Å; I360-A390 WeakPolarHBondContact O-CA 3.37Å; I360-C391 PolarHBondContact O-N 3.15Å
361P98.7Very high97.8Very high1 Ų112.8 Ų12.81%0.0067%0.069CC..EExtended strand (participates in β ladder)trans-63.5138.5177.628.7-34.5000110.5P232 Q234 A368 L369 C391 L558P232-P361 VanDerWaalsContact O-CD 3.28Å; P232-P361 WeakPolarHBondContact O-CD 3.25Å; Q234-P361 HydrophobicContact CB-CB 4.05Å; Q234-P361 HydrophobicContact CB-CG 4.32Å; P361-A368 CarbonylContact O-C 3.54Å; P361-A368 WeakPolarHBondContact O-CA 3.37Å; P361-L369 HydrophobicContact CB-CB 4.33Å; P361-L369 HydrophobicContact CG-CB 4.36Å; P361-L369 WeakPolarHBondContact CG-O 3.42Å; P361-L369 PolarHBondContact O-N 3.44Å; P361-C391 WeakPolarHBondContact CA-O 3.26Å; P361-L558 HydrophobicContact CG-CD1 4.07Å
362T98.6Very high97.6Very high5 Ų515 Ų153%0.0318%0.08CC..BIsolated β-bridgetrans-145.2153.8-174.754.10000112.5Q367 A385 A390 C391 V392T362-Q367 CarbonylContact C-O 3.33Å; T362-Q367 VanDerWaalsContact CA-O 3.23Å; T362-Q367 WeakPolarHBondContact CA-O 3.37Å; T362-A385 HydrophobicContact CG2-CB 3.79Å; T362-A390 HydrophobicContact CG2-CB 4.2Å; T362-C391 PolarHBondContact N-O 3.45Å; T362-V392 WeakPolarHBondContact OG1-CA 3.37Å; T362-V392 WeakPolarHBondContact OG1-CG2 3.31Å; T362-V392 PolarHBondContact OG1-N 2.95Å
363K97.3Very high97.2Very high84 Ų8424.8 Ų24.837%0.36513%0.126SC..  trans-66.9166.5160.3-70.7175.5173.2-177.20111.4T365 G366 Q367 L369 V379K363-T365 WeakPolarHBondContact CB-OG1 3.4Å; K363-T365 PolarHBondContact O-N 2.92Å; K363-T365 VanDerWaalsContact O-N 3.17Å; K363-G366 WeakPolarHBondContact O-CA 3.49Å; K363-G366 PolarHBondContact O-N 2.76Å; K363-Q367 HydrophobicContact CD-CB 4.34Å; K363-Q367 PolarHBondContact N-O 3.35Å; K363-L369 HydrophobicContact CD-CD2 4.47Å; K363-L369 HydrophobicContact CG-CD1 4.18Å; K363-L369 HydrophobicContact CG-CD2 4.03Å; K363-L369 HydrophobicContact CG-CG 4.37Å; K363-V379 HydrophobicContact CD-CG2 4.19Å
364V97.3Very high96.8Very high29 Ų2932.8 Ų32.818%0.17616%0.16CC..THydrogen-bonded Turntrans-55.4-28.9167.7171.40000112.7A84 Y87 G366 F411 A414A84-V364 HydrophobicContact CB-CG2 3.99Å; Y87-V364 HydrophobicContact CD1-CG1 3.5Å; Y87-V364 VanDerWaalsContact CD1-CG1 3.5Å; Y87-V364 HydrophobicContact CD2-CG1 3.64Å; Y87-V364 HydrophobicContact CE1-CG1 3.75Å; Y87-V364 HydrophobicContact CE2-CG1 3.87Å; Y87-V364 HydrophobicContact CG-CG1 3.44Å; Y87-V364 VanDerWaalsContact CG-CG1 3.44Å; V364-G366 PolarHBondContact O-N 3.48Å; V364-F411 HydrophobicContact CG1-CE1 4.18Å; V364-F411 HydrophobicContact CG2-CE1 4.45Å; V364-A414 WeakPolarHBondContact O-CB 3.47Å
365T97Very high96.3Very high27 Ų2733.9 Ų33.917%0.16618%0.177CC..THydrogen-bonded Turntrans-75-417555.10000113.5K363 Q367 A415 H418K363-T365 WeakPolarHBondContact CB-OG1 3.4Å; K363-T365 PolarHBondContact O-N 2.92Å; K363-T365 VanDerWaalsContact O-N 3.17Å; T365-Q367 VanDerWaalsContact C-N 3.3Å; T365-Q367 PolarHBondContact O-N 2.94Å; T365-Q367 PolarHBondContact OG1-OE1 3.22Å; T365-A415 WeakPolarHBondContact O-CA 3.29Å; T365-H418 HydrophobicContact CG2-CB 3.84Å
366G98.2Very high96Very high1 Ų138.7 Ų38.71%0.0120%0.2CC..  trans84.2-8.9-178.600000114.7K363 V364 A368 F384 A385K363-G366 WeakPolarHBondContact O-CA 3.49Å; K363-G366 PolarHBondContact O-N 2.76Å; V364-G366 PolarHBondContact O-N 3.48Å; G366-A368 PolarHBondContact O-N 2.73Å; G366-F384 CarbonylContact O-C 3.5Å; G366-F384 WeakPolarHBondContact O-CA 3.29Å; G366-F384 WeakPolarHBondContact O-CB 3.44Å; G366-A385 PolarHBondContact O-N 3.34Å
367Q98.2Very high95.9Very high7 Ų742.2 Ų42.23%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-57.6125.3175.2-72167-58.100109.8T362 K363 T365 V379 F384T362-Q367 CarbonylContact C-O 3.33Å; T362-Q367 VanDerWaalsContact CA-O 3.23Å; T362-Q367 WeakPolarHBondContact CA-O 3.37Å; K363-Q367 HydrophobicContact CD-CB 4.34Å; K363-Q367 PolarHBondContact N-O 3.35Å; T365-Q367 VanDerWaalsContact C-N 3.3Å; T365-Q367 PolarHBondContact O-N 2.94Å; T365-Q367 PolarHBondContact OG1-OE1 3.22Å; Q367-V379 HydrophobicContact CB-CG1 4.04Å; Q367-V379 HydrophobicContact CB-CG2 4.27Å; Q367-V379 HydrophobicContact CG-CG1 4.34Å; Q367-F384 HydrophobicContact CB-CD1 4.45Å; Q367-F384 HydrophobicContact CB-CE1 4.34Å; Q367-F384 HydrophobicContact CG-CD1 3.95Å; Q367-F384 HydrophobicContact CG-CE1 3.38Å; Q367-F384 HydrophobicContact CG-CZ 3.78Å
368A98.5Very high95.7Very high0 Ų045.1 Ų45.10%024%0.236CC..EExtended strand (participates in β ladder)trans-67.7146.3177.600000110.8I360 P361 G366 V379 V380 L383I360-A368 HydrophobicContact CG2-CB 3.77Å; P361-A368 CarbonylContact O-C 3.54Å; P361-A368 WeakPolarHBondContact O-CA 3.37Å; G366-A368 PolarHBondContact O-N 2.73Å; A368-V379 WeakPolarHBondContact O-CA 3.36Å; A368-V380 HydrophobicContact CB-CB 4.28Å; A368-V380 HydrophobicContact CB-CG2 4.5Å; A368-V380 PolarHBondContact O-N 2.88Å; A368-L383 HydrophobicContact CB-CB 4.06Å; A368-L383 HydrophobicContact CB-CD2 3.83Å; A368-L383 HydrophobicContact CB-CG 3.74Å; A368-L383 WeakPolarHBondContact CB-O 3.37Å; A368-L383 PolarHBondContact N-O 3.23Å
369L97.8Very high95.7Very high4 Ų446.8 Ų46.82%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-114.9150.7-177.2-63171.1000111.3P361 K363 D377 V378 V379P361-L369 HydrophobicContact CB-CB 4.33Å; P361-L369 HydrophobicContact CG-CB 4.36Å; P361-L369 WeakPolarHBondContact CG-O 3.42Å; P361-L369 PolarHBondContact O-N 3.44Å; K363-L369 HydrophobicContact CD-CD2 4.47Å; K363-L369 HydrophobicContact CG-CD1 4.18Å; K363-L369 HydrophobicContact CG-CD2 4.03Å; K363-L369 HydrophobicContact CG-CG 4.37Å; L369-D377 HydrophobicContact CD2-CB 4.36Å; L369-V378 CarbonylContact C-O 3.45Å; L369-V378 WeakPolarHBondContact CA-O 3.45Å; L369-V379 HydrophobicContact CD2-CG2 4.03Å
370T96Very high95.6Very high42 Ų4247.5 Ų47.526%0.25825%0.251SS..EExtended strand (participates in β ladder)trans-129.7177.2161.8-169.10000108.4D377 V378 V380T370-D377 WeakPolarHBondContact O-CA 3.5Å; T370-V378 HydrophobicContact CG2-CB 4.1Å; T370-V378 PolarHBondContact N-O 3.31Å; T370-V378 PolarHBondContact O-N 3.31Å; T370-V380 HydrophobicContact CG2-CG2 4.17Å
371V94.6Very high95.5Very high25 Ų2549.7 Ų49.715%0.15227%0.265CS..EExtended strand (participates in β ladder)trans-114.2139.8173.7-65.20000110E376 L558 L560 T567V371-E376 WeakPolarHBondContact CA-O 3.09Å; V371-L558 HydrophobicContact CB-CD2 4.3Å; V371-L558 HydrophobicContact CG1-CD2 3.7Å; V371-L558 HydrophobicContact CG2-CD2 3.59Å; V371-L560 HydrophobicContact CG2-CD2 4.21Å; V371-T567 HydrophobicContact CG2-CG2 4.35Å
372N92.9Very high95.5Very high57 Ų5749.7 Ų49.731%0.30527%0.265SS..  trans-80.7-179.6170.970.315.3000111.5K374 G375 E376 V378N372-K374 PolarHBondContact O-N 2.89Å; N372-K374 WeakPolarHBondContact OD1-CA 3.43Å; N372-K374 WeakPolarHBondContact OD1-CB 3.14Å; N372-K374 PolarHBondContact OD1-N 2.85Å; N372-G375 PolarHBondContact O-N 2.84Å; N372-G375 PolarHBondContact OD1-N 3.11Å; N372-E376 PolarHBondContact N-O 3.5Å; N372-E376 PolarHBondContact ND2-OE2 3.41Å; N372-E376 PolarHBondContact OD1-N 3.22Å; N372-V378 HydrophobicContact CB-CG2 3.94Å
373E87.9Confident95.5Very high209 Ų20949.4 Ų49.498%0.97726%0.263SS*.THydrogen-bonded Turntrans-58.9-18.8178.6-62.9-179.1169.900114.2
374K89.8Confident95.6Very high168 Ų16845.5 Ų45.573%0.7325%0.246SC*.THydrogen-bonded Turntrans-92.9-2.2176.2-58.1180-177.5174.40113.3N372 E376N372-K374 PolarHBondContact O-N 2.89Å; N372-K374 WeakPolarHBondContact OD1-CA 3.43Å; N372-K374 WeakPolarHBondContact OD1-CB 3.14Å; N372-K374 PolarHBondContact OD1-N 2.85Å; K374-E376 VanDerWaalsContact C-N 3.34Å; K374-E376 HydrophobicContact CB-CG 4.1Å
375G87Confident95.6Very high44 Ų4444.1 Ų44.145%0.45424%0.238SC..SBendtrans77.915.2-17500000114.3N372N372-G375 PolarHBondContact O-N 2.84Å; N372-G375 PolarHBondContact OD1-N 3.11Å
376E93Very high95.7Very high105 Ų10542.8 Ų42.849%0.49123%0.23SC..  trans-86.5143177.8-56.216415500110.5V371 N372 K374 V378V371-E376 WeakPolarHBondContact CA-O 3.09Å; N372-E376 PolarHBondContact N-O 3.5Å; N372-E376 PolarHBondContact ND2-OE2 3.41Å; N372-E376 PolarHBondContact OD1-N 3.22Å; K374-E376 VanDerWaalsContact C-N 3.34Å; K374-E376 HydrophobicContact CB-CG 4.1Å; E376-V378 PolarHBondContact O-N 3.44Å
377D95.7Very high95.7Very high75 Ų7542.8 Ų42.840%0.40123%0.23SC..EExtended strand (participates in β ladder)trans-64.9128.3177.8-77.5-7.6000112L369 T370 R569L369-D377 HydrophobicContact CD2-CB 4.36Å; T370-D377 WeakPolarHBondContact O-CA 3.5Å; D377-R569 VanDerWaalsContact CG-NE 3.31Å; D377-R569 WeakPolarHBondContact OD1-CD 3.45Å; D377-R569 IonicContact OD1-CZ 3.73Å; D377-R569 IonicContact OD1-NE 3.74Å; D377-R569 PolarHBondContact OD1-NE 3.49Å; D377-R569 IonicContact OD1-NH2 3.87Å; D377-R569 IonicContact OD2-CZ 2.76Å; D377-R569 IonicContact OD2-NE 2.84Å; D377-R569 PolarHBondContact OD2-NE 2.62Å; D377-R569 VanDerWaalsContact OD2-NE 3.13Å; D377-R569 IonicContact OD2-NH2 3.31Å; D377-R569 PolarHBondContact OD2-NH2 2.98Å
378V95.9Very high95.8Very high64 Ų6443.6 Ų43.639%0.38823%0.234SC..EExtended strand (participates in β ladder)trans-128.4135.8175.3-178.10000109.2L369 T370 N372 E376L369-V378 CarbonylContact C-O 3.45Å; L369-V378 WeakPolarHBondContact CA-O 3.45Å; T370-V378 HydrophobicContact CG2-CB 4.1Å; T370-V378 PolarHBondContact N-O 3.31Å; T370-V378 PolarHBondContact O-N 3.31Å; N372-V378 HydrophobicContact CB-CG2 3.94Å; E376-V378 PolarHBondContact O-N 3.44Å
379V97.1Very high95.8Very high36 Ų3643.6 Ų43.622%0.21823%0.234CC..EExtended strand (participates in β ladder)trans-70.1135176.31710000110.2K363 Q367 A368 L369 P381K363-V379 HydrophobicContact CD-CG2 4.19Å; Q367-V379 HydrophobicContact CB-CG1 4.04Å; Q367-V379 HydrophobicContact CB-CG2 4.27Å; Q367-V379 HydrophobicContact CG-CG1 4.34Å; A368-V379 WeakPolarHBondContact O-CA 3.36Å; L369-V379 HydrophobicContact CD2-CG2 4.03Å; V379-P381 VanDerWaalsContact O-CD 3.3Å; V379-P381 WeakPolarHBondContact O-CD 3.49Å
380V97.2Very high95.8Very high14 Ų1443.7 Ų43.79%0.08524%0.235CC..EExtended strand (participates in β ladder)trans-79.4110.9167.5-178.30000108.2V177 V231 A368 T370 G382 L383V177-V380 HydrophobicContact CG2-CG1 4.49Å; V231-V380 HydrophobicContact CG2-CG1 4.26Å; A368-V380 HydrophobicContact CB-CB 4.28Å; A368-V380 HydrophobicContact CB-CG2 4.5Å; A368-V380 PolarHBondContact O-N 2.88Å; T370-V380 HydrophobicContact CG2-CG2 4.17Å; V380-G382 PolarHBondContact O-N 3.33Å; V380-L383 HydrophobicContact CB-CB 4.2Å; V380-L383 HydrophobicContact CG1-CB 3.87Å; V380-L383 HydrophobicContact CG1-CD2 4.09Å; V380-L383 PolarHBondContact O-N 3.15Å
381P97.4Very high96Very high47 Ų4741.7 Ų41.731%0.30522%0.223SC..EExtended strand (participates in β ladder)trans-61.6133.9-171.6-22.233.7000112A176 V177 V379 L383 L429A176-P381 HydrophobicContact CB-CB 3.8Å; A176-P381 HydrophobicContact CB-CG 4.49Å; V177-P381 PolarHBondContact N-O 2.96Å; V379-P381 VanDerWaalsContact O-CD 3.3Å; V379-P381 WeakPolarHBondContact O-CD 3.49Å; P381-L383 PolarHBondContact O-N 3.46Å; P381-L429 HydrophobicContact CB-CD2 3.94Å
382G97.8Very high96.1Very high0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans74.2-3.4179.500000116V177 T198 V380V177-G382 WeakPolarHBondContact O-CA 3.33Å; T198-G382 PolarHBondContact N-O 2.98Å; V380-G382 PolarHBondContact O-N 3.33Å
383L98.6Very high96.4Very high0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-105.7132.9-179.9-173.764.1000112.4L169 V177 L200 V231 A368 V380 P381L169-L383 HydrophobicContact CD1-CD1 3.89Å; L169-L383 HydrophobicContact CD1-CD2 4.31Å; L169-L383 HydrophobicContact CD2-CD1 4.34Å; V177-L383 HydrophobicContact CB-CB 4.15Å; V177-L383 HydrophobicContact CG1-CD1 4.4Å; V177-L383 HydrophobicContact CG2-CB 3.99Å; V177-L383 HydrophobicContact CG2-CD2 4.45Å; L200-L383 HydrophobicContact CD1-CD1 3.94Å; L200-L383 HydrophobicContact CG-CD1 4.09Å; V231-L383 HydrophobicContact CB-CD2 4.38Å; V231-L383 HydrophobicContact CG1-CD2 4.01Å; V231-L383 HydrophobicContact CG2-CD2 3.67Å; A368-L383 HydrophobicContact CB-CB 4.06Å; A368-L383 HydrophobicContact CB-CD2 3.83Å; A368-L383 HydrophobicContact CB-CG 3.74Å; A368-L383 WeakPolarHBondContact CB-O 3.37Å; A368-L383 PolarHBondContact N-O 3.23Å; V380-L383 HydrophobicContact CB-CB 4.2Å; V380-L383 HydrophobicContact CG1-CB 3.87Å; V380-L383 HydrophobicContact CG1-CD2 4.09Å; V380-L383 PolarHBondContact O-N 3.15Å; P381-L383 PolarHBondContact O-N 3.46Å
384F98.8Very high96.9Very high1 Ų128.3 Ų28.30%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-131156.6175.6-63-111.2000109.9A197 T198 V199 L200 G366 Q367 L419A197-F384 HydrophobicContact CB-CD2 4.02Å; A197-F384 HydrophobicContact CB-CE2 3.68Å; A197-F384 HydrophobicContact CB-CZ 4.47Å; T198-F384 PolarHBondContact O-N 3.23Å; V199-F384 HydrophobicContact CB-CB 4.26Å; V199-F384 HydrophobicContact CG1-CB 4.21Å; V199-F384 HydrophobicContact CG2-CB 3.98Å; V199-F384 HydrophobicContact CG2-CG 4.44Å; L200-F384 PolarHBondContact N-O 3.45Å; G366-F384 CarbonylContact O-C 3.5Å; G366-F384 WeakPolarHBondContact O-CA 3.29Å; G366-F384 WeakPolarHBondContact O-CB 3.44Å; Q367-F384 HydrophobicContact CB-CD1 4.45Å; Q367-F384 HydrophobicContact CB-CE1 4.34Å; Q367-F384 HydrophobicContact CG-CD1 3.95Å; Q367-F384 HydrophobicContact CG-CE1 3.38Å; Q367-F384 HydrophobicContact CG-CZ 3.78Å; F384-L419 HydrophobicContact CZ-CD1 4.33Å
385A98.9Very high97.3Very high0 Ų020.6 Ų20.60%012%0.124CC..EExtended strand (participates in β ladder)trans-142.9143.5169.700000111.6L200 I360 T362 G366 I389 A390L200-A385 HydrophobicContact CB-CB 4.23Å; L200-A385 CarbonylContact O-C 3.46Å; L200-A385 VanDerWaalsContact O-CA 3.23Å; L200-A385 WeakPolarHBondContact O-CA 3.48Å; I360-A385 HydrophobicContact CB-CB 4.06Å; I360-A385 HydrophobicContact CD1-CB 4.18Å; I360-A385 HydrophobicContact CG2-CB 4.26Å; T362-A385 HydrophobicContact CG2-CB 3.79Å; G366-A385 PolarHBondContact O-N 3.34Å; A385-I389 HydrophobicContact CB-CG2 4.48Å; A385-A390 HydrophobicContact CB-CB 3.9Å
386V98.9Very high97.9Very high0 Ų018.6 Ų18.60%010%0.103CC..  trans-143.9152.8177.2-660000112.3A18 V199 L200 A201 I389 F411 A415A18-V386 HydrophobicContact CB-CB 4.25Å; A18-V386 HydrophobicContact CB-CG2 3.86Å; V199-V386 HydrophobicContact CG1-CG2 3.84Å; L200-V386 PolarHBondContact O-N 2.96Å; A201-V386 HydrophobicContact CB-CG2 3.87Å; V386-I389 WeakPolarHBondContact O-CG2 3.4Å; V386-F411 HydrophobicContact CG1-CB 4.39Å; V386-F411 WeakPolarHBondContact CG1-O 3.4Å; V386-A415 HydrophobicContact CG1-CB 3.61Å
387G98.7Very high98.1Very high1 Ų113.6 Ų13.61%0.018%0.08CC..G310 helixtrans74-155.1-17700000112.7I389 A390G387-I389 PolarHBondContact O-N 2.79Å; G387-A390 WeakPolarHBondContact O-CA 2.83Å; G387-A390 WeakPolarHBondContact O-CB 3.33Å; G387-A390 PolarHBondContact O-N 3.42Å
388E98.8Very high98.3Very high23 Ų2310.1 Ų10.111%0.1076%0.061CC..G310 helixtrans-62.8-17.7-170.5-174.4174.1-177.500115.4G204 Y355 M356 A390G204-E388 VanDerWaalsContact CA-CD 3.48Å; G204-E388 PolarHBondContact N-OE2 3.02Å; Y355-E388 WeakPolarHBondContact CA-OE1 3.43Å; Y355-E388 HydrophobicContact CD2-CG 3.84Å; Y355-E388 VanDerWaalsContact CD2-OE1 3.28Å; Y355-E388 WeakPolarHBondContact CD2-OE1 3.38Å; Y355-E388 HydrophobicContact CE2-CB 3.77Å; Y355-E388 VanDerWaalsContact CE2-CD 3.42Å; Y355-E388 HydrophobicContact CE2-CG 3.41Å; Y355-E388 VanDerWaalsContact CE2-CG 3.41Å; M356-E388 HydrophobicContact CB-CG 4.33Å; M356-E388 WeakPolarHBondContact CE-O 3.27Å; M356-E388 PolarHBondContact N-OE1 3.25Å; E388-A390 VanDerWaalsContact C-N 3.29Å
389I98.8Very high98.4Very high0 Ų07.5 Ų7.50%05%0.045CC..G310 helixtrans-76.6-20.3172.1-177.657.9000112.2L200 V223 M356 G359 I360 A385 V386 G387L200-I389 HydrophobicContact CB-CG1 4.47Å; L200-I389 HydrophobicContact CB-CG2 4.36Å; L200-I389 WeakPolarHBondContact O-CG2 3.41Å; V223-I389 HydrophobicContact CB-CD1 4.3Å; V223-I389 HydrophobicContact CG2-CD1 3.35Å; M356-I389 HydrophobicContact CE-CD1 4.47Å; G359-I389 CarbonylContact C-O 3.38Å; G359-I389 VanDerWaalsContact CA-O 3.27Å; G359-I389 WeakPolarHBondContact CA-O 3.32Å; I360-I389 HydrophobicContact CD1-CD1 4.38Å; I360-I389 HydrophobicContact CD1-CG1 4.04Å; I360-I389 HydrophobicContact CG1-CD1 4.49Å; I360-I389 HydrophobicContact CG1-CG1 4.44Å; I360-I389 PolarHBondContact N-O 3Å; A385-I389 HydrophobicContact CB-CG2 4.48Å; V386-I389 WeakPolarHBondContact O-CG2 3.4Å; G387-I389 PolarHBondContact O-N 2.79Å
390A98.8Very high98.3Very high6 Ų66 Ų65%0.054%0.035CC..EExtended strand (participates in β ladder)trans-92.9138.7-179.100000111I360 T362 A385 G387 E388 V392I360-A390 CarbonylContact O-C 3.59Å; I360-A390 WeakPolarHBondContact O-CA 3.37Å; T362-A390 HydrophobicContact CG2-CB 4.2Å; A385-A390 HydrophobicContact CB-CB 3.9Å; G387-A390 WeakPolarHBondContact O-CA 2.83Å; G387-A390 WeakPolarHBondContact O-CB 3.33Å; G387-A390 PolarHBondContact O-N 3.42Å; E388-A390 VanDerWaalsContact C-N 3.29Å; A390-V392 HydrophobicContact CB-CG2 4.26Å
391C98.8Very high98.2Very high1 Ų15.4 Ų5.41%0.0073%0.032CC..EExtended strand (participates in β ladder)trans-106.267.1163.7-155.90000108.4Q234 M357 I360 P361 T362 S393Q234-C391 HydrophobicContact CB-CB 4.06Å; Q234-C391 PolarHBondContact NE2-SG 2.92Å; M357-C391 PolarHBondContact O-SG 3.39Å; I360-C391 PolarHBondContact O-N 3.15Å; P361-C391 WeakPolarHBondContact CA-O 3.26Å; T362-C391 PolarHBondContact N-O 3.45Å; C391-S393 PolarHBondContact O-N 3.3Å; C391-S393 VanDerWaalsContact O-N 3.16Å
392V98.1Very high98Very high5 Ų53.6 Ų3.63%0.032%0.022CC..  trans-58.5-17156-1550000109.9A84 T362 A390 F411A84-V392 HydrophobicContact CB-CG1 3.64Å; T362-V392 WeakPolarHBondContact OG1-CA 3.37Å; T362-V392 WeakPolarHBondContact OG1-CG2 3.31Å; T362-V392 PolarHBondContact OG1-N 2.95Å; A390-V392 HydrophobicContact CB-CG2 4.26Å; V392-F411 HydrophobicContact CB-CE1 4.46Å; V392-F411 HydrophobicContact CB-CZ 4.45Å; V392-F411 HydrophobicContact CG1-CD1 4.3Å; V392-F411 HydrophobicContact CG1-CE1 3.81Å; V392-F411 HydrophobicContact CG1-CZ 4.09Å; V392-F411 HydrophobicContact CG2-CD1 4.11Å; V392-F411 HydrophobicContact CG2-CD2 4.31Å; V392-F411 HydrophobicContact CG2-CE1 4.3Å; V392-F411 HydrophobicContact CG2-CG 4.12Å
393S98.3Very high98Very high3 Ų33.6 Ų3.62%0.0212%0.022CC..  trans63.737.9179-1490000115I79 G80 D81 C391 H395 H556I79-S393 PolarHBondContact O-OG 3.11Å; G80-S393 CarbonylContact C-O 3.59Å; G80-S393 WeakPolarHBondContact CA-O 3.45Å; D81-S393 PolarHBondContact N-O 3Å; C391-S393 PolarHBondContact O-N 3.3Å; C391-S393 VanDerWaalsContact O-N 3.16Å; S393-H395 PolarHBondContact O-N 2.88Å; S393-H556 PolarHBondContact OG-CE1 2.91Å
394V98.7Very high98Very high2 Ų24.4 Ų4.41%0.0123%0.027CC..SBendtrans-68.7-13.2166.9-62.90000113.5T72 A84 I85 M88 D407 F411T72-V394 WeakPolarHBondContact CG2-O 3.42Å; A84-V394 HydrophobicContact CB-CG1 3.72Å; I85-V394 HydrophobicContact CG1-CB 4.01Å; I85-V394 HydrophobicContact CG1-CG1 4.22Å; M88-V394 HydrophobicContact CB-CG1 4.26Å; M88-V394 HydrophobicContact CE-CB 4.01Å; M88-V394 HydrophobicContact CE-CG2 4.3Å; M88-V394 HydrophobicContact SD-CB 4Å; M88-V394 HydrophobicContact SD-CG1 4.27Å; M88-V394 HydrophobicContact SD-CG2 3.79Å; V394-D407 HydrophobicContact CG2-CB 4.29Å; V394-F411 HydrophobicContact CB-CE2 4.46Å; V394-F411 HydrophobicContact CG1-CE2 3.57Å; V394-F411 HydrophobicContact CG1-CZ 3.45Å; V394-F411 VanDerWaalsContact CG1-CZ 3.45Å; V394-F411 HydrophobicContact CG2-CE2 4.1Å
395H98.7Very high98Very high6 Ų64.8 Ų4.83%0.0283%0.029CC..SBendtrans-107.4-20.1-175.8-52.8-55.7000113.6S76 Y355 M357 S393 A397 N398 R399 D407S76-H395 VanDerWaalsContact CA-O 3.27Å; S76-H395 WeakPolarHBondContact CA-O 3.22Å; S76-H395 VanDerWaalsContact CB-C 3.48Å; S76-H395 WeakPolarHBondContact CB-O 3.27Å; Y355-H395 AromaticContact CE1-CD2 3.89Å; Y355-H395 AromaticContact CZ-CD2 3.98Å; Y355-H395 PolarHBondContact OH-CD2 3.21Å; Y355-H395 VanDerWaalsContact OH-CD2 3.22Å; Y355-H395 PolarHBondContact OH-NE2 2.87Å; Y355-H395 VanDerWaalsContact OH-NE2 3.11Å; M357-H395 HydrophobicContact CB-CB 4.39Å; M357-H395 HydrophobicContact CG-CB 3.86Å; S393-H395 PolarHBondContact O-N 2.88Å; H395-A397 PolarHBondContact O-N 2.95Å; H395-N398 CarbonylContact O-C 3.5Å; H395-N398 PolarHBondContact O-N 3.18Å; H395-N398 VanDerWaalsContact O-N 3.14Å; H395-N398 VanDerWaalsContact O-O 3.06Å; H395-R399 HydrophobicContact CB-CB 3.86Å; H395-R399 HydrophobicContact CB-CG 4.32Å; H395-R399 VanDerWaalsContact ND1-CG 3.34Å; H395-R399 WeakPolarHBondContact ND1-CG 3.23Å; H395-D407 IonicContact CD2-OD2 3.79Å; H395-D407 IonicContact CE1-OD2 3.72Å; H395-D407 IonicContact NE2-OD2 3.47Å; H395-D407 PolarHBondContact NE2-OD2 3.23Å
396G98.5Very high98Very high1 Ų14.8 Ų4.81%0.013%0.029CC..THydrogen-bonded Turntrans40.4-127.6-174.300000113.6I79 M357 N398I79-G396 VanDerWaalsContact O-CA 3.32Å; I79-G396 WeakPolarHBondContact O-CA 3.39Å; M357-G396 VanDerWaalsContact CB-O 3.28Å; M357-G396 WeakPolarHBondContact CB-O 3.49Å; G396-N398 VanDerWaalsContact C-N 3.33Å; G396-N398 PolarHBondContact O-N 3.32Å
397A98.4Very high98Very high0 Ų05 Ų50%03%0.03CC..THydrogen-bonded Turntrans-78.1-14.4-175.400000114.3S76 D77 I79 M238 M357 H395 R537 A539S76-A397 WeakPolarHBondContact O-CB 3.29Å; S76-A397 PolarHBondContact O-N 3.39Å; D77-A397 HydrophobicContact CB-CB 4.14Å; I79-A397 HydrophobicContact CD1-CB 3.73Å; I79-A397 HydrophobicContact CG1-CB 3.81Å; M238-A397 HydrophobicContact CE-CB 4.07Å; M238-A397 HydrophobicContact SD-CB 3.76Å; M357-A397 WeakPolarHBondContact CE-O 3.34Å; H395-A397 PolarHBondContact O-N 2.95Å; A397-R537 HydrophobicContact CB-CB 4.39Å; A397-R537 HydrophobicContact CB-CG 3.71Å; A397-A539 WeakPolarHBondContact O-CB 3.41Å; A397-A539 PolarHBondContact O-N 2.92Å
398N98.3Very high97.9Very high2 Ų25.5 Ų5.51%0.0113%0.033CC..SBendtrans-157.2119.3177.5165.279.8000111.6G75 Q240 D287 H395 G396 R586G75-N398 CarbonylContact C-O 3.39Å; G75-N398 VanDerWaalsContact C-O 3.24Å; G75-N398 WeakPolarHBondContact O-CB 3.25Å; G75-N398 PolarHBondContact O-ND2 3.16Å; Q240-N398 PolarHBondContact NE2-OD1 3.39Å; D287-N398 HydrophobicContact CB-CB 4.42Å; D287-N398 PolarHBondContact OD1-OD1 3.43Å; H395-N398 CarbonylContact O-C 3.5Å; H395-N398 PolarHBondContact O-N 3.18Å; H395-N398 VanDerWaalsContact O-N 3.14Å; H395-N398 VanDerWaalsContact O-O 3.06Å; G396-N398 VanDerWaalsContact C-N 3.33Å; G396-N398 PolarHBondContact O-N 3.32Å; N398-R586 PolarHBondContact ND2-NH2 3.33Å
399R98.5Very high97.9Very high10 Ų104.4 Ų4.44%0.0383%0.028CC..PPolyproline II helixtrans-72.7134.3174.7178.6169.670.676-7.2112.6Q240 H354 Y355 M357 H395Q240-R399 PolarHBondContact NE2-O 3.49Å; H354-R399 PolarHBondContact NE2-NH2 2.84Å; Y355-R399 HydrophobicContact CD1-CB 4.21Å; Y355-R399 HydrophobicContact CE1-CB 4.26Å; Y355-R399 VanDerWaalsContact CE1-CD 3.45Å; Y355-R399 HydrophobicContact CE1-CG 4.44Å; M357-R399 HydrophobicContact CG-CB 4.11Å; M357-R399 HydrophobicContact SD-CB 4.34Å; H395-R399 HydrophobicContact CB-CB 3.86Å; H395-R399 HydrophobicContact CB-CG 4.32Å; H395-R399 VanDerWaalsContact ND1-CG 3.34Å; H395-R399 WeakPolarHBondContact ND1-CG 3.23Å
400L96.1Very high97.9Very high5 Ų54.5 Ų4.53%0.0263%0.028CC..PPolyproline II helixtrans-71.2141.5164.7-66.4-172.1000112.1D71 G402 N403D71-L400 HydrophobicContact CB-CD1 3.93Å; D71-L400 WeakPolarHBondContact O-CD1 3.48Å; L400-G402 PolarHBondContact O-N 3.45Å; L400-N403 HydrophobicContact CB-CB 4.49Å; L400-N403 PolarHBondContact O-N 3.08Å
401G93.6Very high97.9Very high1 Ų14.3 Ų4.31%0.013%0.026CC..THydrogen-bonded Turntrans-58137.4172.500000111.2T54 F119 Q122 N403T54-G401 PolarHBondContact OG1-O 2.89Å; T54-G401 VanDerWaalsContact OG1-O 3.09Å; F119-G401 WeakPolarHBondContact CD1-O 3.4Å; F119-G401 VanDerWaalsContact CE1-C 3.48Å; F119-G401 VanDerWaalsContact CE1-CA 3.44Å; Q122-G401 PolarHBondContact NE2-O 3.19Å; Q122-G401 VanDerWaalsContact NE2-O 3.17Å; G401-N403 VanDerWaalsContact C-N 3.28Å; G401-N403 PolarHBondContact O-N 2.8Å
402G94.1Very high97.9Very high9 Ų94.2 Ų4.29%0.0933%0.026CC..THydrogen-bonded Turntrans82.2-17.3-176.800000116.1G52 T54 L400G52-G402 WeakPolarHBondContact O-CA 3.47Å; T54-G402 PolarHBondContact N-O 3.33Å; T54-G402 VanDerWaalsContact N-O 3.09Å; T54-G402 VanDerWaalsContact OG1-CA 3.31Å; T54-G402 WeakPolarHBondContact OG1-CA 3.46Å; L400-G402 PolarHBondContact O-N 3.45Å
403N98.2Very high97.9Very high0 Ų05.3 Ų5.30%03%0.029CC..Hα-helixtrans-71.9-28.1177.4-83.912.9000114.1T54 H68 T72 L400 G401 L405 L406 D407T54-N403 WeakPolarHBondContact CB-OD1 3.31Å; H68-N403 PolarHBondContact NE2-OD1 3.28Å; T72-N403 WeakPolarHBondContact CG2-ND2 3.37Å; T72-N403 PolarHBondContact OG1-ND2 2.99Å; L400-N403 HydrophobicContact CB-CB 4.49Å; L400-N403 PolarHBondContact O-N 3.08Å; G401-N403 VanDerWaalsContact C-N 3.28Å; G401-N403 PolarHBondContact O-N 2.8Å; N403-L405 PolarHBondContact O-N 3.25Å; N403-L406 WeakPolarHBondContact O-CB 3.28Å; N403-L406 PolarHBondContact O-N 3.5Å; N403-L406 VanDerWaalsContact O-N 3.15Å; N403-D407 PolarHBondContact O-N 2.81Å
404S98.2Very high97.9Very high16 Ų165.2 Ų5.211%0.1123%0.028CC..Hα-helixtrans-61.1-46.7-177.61680000111.8Y355 L406 D407 L408Y355-S404 WeakPolarHBondContact CE2-OG 3.38Å; S404-L406 PolarHBondContact O-N 3.43Å; S404-D407 WeakPolarHBondContact O-CB 3.11Å; S404-D407 PolarHBondContact O-N 3.17Å; S404-L408 VanDerWaalsContact O-CG 3.26Å; S404-L408 WeakPolarHBondContact O-CG 3.44Å; S404-L408 PolarHBondContact O-N 3.15Å
405L98.2Very high97.8Very high10 Ų105.1 Ų5.15%0.0523%0.028CC..Hα-helixtrans-64-31.1178.4-69.8-175.6000112.1T46 A49 I53 T141 N403 L408 V409T46-L405 HydrophobicContact CG2-CD2 3.98Å; A49-L405 HydrophobicContact CB-CD1 3.88Å; A49-L405 HydrophobicContact CB-CD2 3.95Å; A49-L405 HydrophobicContact CB-CG 4.16Å; I53-L405 HydrophobicContact CB-CB 4.3Å; I53-L405 HydrophobicContact CD1-CB 4.07Å; I53-L405 HydrophobicContact CD1-CD1 4.31Å; I53-L405 HydrophobicContact CG1-CB 3.67Å; I53-L405 HydrophobicContact CG1-CD1 3.73Å; I53-L405 HydrophobicContact CG1-CG 4.36Å; I53-L405 HydrophobicContact CG2-CB 4.07Å; T141-L405 HydrophobicContact CG2-CD1 4.33Å; N403-L405 PolarHBondContact O-N 3.25Å; L405-L408 HydrophobicContact CD2-CD1 3.87Å; L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 3.42Å
406L98.6Very high97.7Very high0 Ų05 Ų50%03%0.028CC..Hα-helixtrans-67.4-48.5174.5-176.266.7000110.5I53 T54 M88 I96 N403 S404 L408 V409 V410I53-L406 HydrophobicContact CG2-CB 3.79Å; I53-L406 HydrophobicContact CG2-CD1 4.22Å; T54-L406 VanDerWaalsContact O-CD2 3.29Å; T54-L406 WeakPolarHBondContact O-CD2 3.49Å; M88-L406 HydrophobicContact CG-CD2 3.7Å; M88-L406 HydrophobicContact CG-CG 3.99Å; M88-L406 HydrophobicContact SD-CD2 4.26Å; M88-L406 HydrophobicContact SD-CG 4.49Å; I96-L406 HydrophobicContact CD1-CD1 4.12Å; I96-L406 HydrophobicContact CG1-CD1 4.18Å; N403-L406 WeakPolarHBondContact O-CB 3.28Å; N403-L406 PolarHBondContact O-N 3.5Å; N403-L406 VanDerWaalsContact O-N 3.15Å; S404-L406 PolarHBondContact O-N 3.43Å; L406-L408 VanDerWaalsContact C-N 3.31Å; L406-L408 PolarHBondContact O-N 2.84Å; L406-V409 HydrophobicContact CD1-CG2 4.5Å; L406-V409 WeakPolarHBondContact O-CG2 3.31Å; L406-V409 PolarHBondContact O-N 3.26Å; L406-V410 HydrophobicContact CD1-CG2 3.75Å; L406-V410 HydrophobicContact CG-CG2 3.95Å; L406-V410 WeakPolarHBondContact O-CB 3.42Å; L406-V410 VanDerWaalsContact O-CG2 3.32Å; L406-V410 WeakPolarHBondContact O-CG2 3.43Å; L406-V410 PolarHBondContact O-N 3Å
407D98.6Very high97.6Very high3 Ų38.6 Ų8.62%0.0165%0.047CC..Hα-helixtrans-51-51173.5149.221.6000110.7M88 Y355 V394 H395 N403 S404 V409 V410 F411M88-D407 HydrophobicContact SD-CB 4.09Å; Y355-D407 PolarHBondContact OH-OD2 3.35Å; V394-D407 HydrophobicContact CG2-CB 4.29Å; H395-D407 IonicContact CD2-OD2 3.79Å; H395-D407 IonicContact CE1-OD2 3.72Å; H395-D407 IonicContact NE2-OD2 3.47Å; H395-D407 PolarHBondContact NE2-OD2 3.23Å; N403-D407 PolarHBondContact O-N 2.81Å; S404-D407 WeakPolarHBondContact O-CB 3.11Å; S404-D407 PolarHBondContact O-N 3.17Å; D407-V409 VanDerWaalsContact C-N 3.28Å; D407-V409 PolarHBondContact O-N 3.47Å; D407-V410 PolarHBondContact O-N 2.91Å; D407-F411 HydrophobicContact CB-CD2 4.08Å; D407-F411 HydrophobicContact CB-CE2 4.33Å; D407-F411 WeakPolarHBondContact O-CD2 3.43Å; D407-F411 PolarHBondContact O-N 3.04Å; D407-F411 WeakPolarHBondContact OD1-CD2 3.41Å
408L98.4Very high97.6Very high12 Ų1211 Ų116%0.0636%0.058CC..Hα-helixtrans-51.3-49.2-179.5-57.5-167.1000112A18 T46 S404 L405 L406 G412A18-L408 WeakPolarHBondContact CA-O 3.45Å; A18-L408 HydrophobicContact CB-CB 4.04Å; A18-L408 HydrophobicContact CB-CD2 4.04Å; T46-L408 HydrophobicContact CG2-CD1 3.94Å; S404-L408 VanDerWaalsContact O-CG 3.26Å; S404-L408 WeakPolarHBondContact O-CG 3.44Å; S404-L408 PolarHBondContact O-N 3.15Å; L405-L408 HydrophobicContact CD2-CD1 3.87Å; L406-L408 VanDerWaalsContact C-N 3.31Å; L406-L408 PolarHBondContact O-N 2.84Å; L408-G412 WeakPolarHBondContact O-CA 3.33Å; L408-G412 PolarHBondContact O-N 2.85Å
409V98.3Very high97.5Very high1 Ų111 Ų111%0.0066%0.058CC..Hα-helixtrans-83.6-30.3-172.2-58.70000112.6R21 A95 I96 L99 L145 L405 L406 D407 R413R21-V409 HydrophobicContact CG-CB 4.44Å; R21-V409 WeakPolarHBondContact CG-O 3.42Å; A95-V409 HydrophobicContact CB-CG2 4.44Å; I96-V409 HydrophobicContact CD1-CG2 4.27Å; L99-V409 HydrophobicContact CD1-CB 4.1Å; L99-V409 HydrophobicContact CD1-CG1 3.85Å; L99-V409 HydrophobicContact CD1-CG2 4.03Å; L145-V409 HydrophobicContact CD1-CG1 3.83Å; L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 3.42Å; L406-V409 HydrophobicContact CD1-CG2 4.5Å; L406-V409 WeakPolarHBondContact O-CG2 3.31Å; L406-V409 PolarHBondContact O-N 3.26Å; D407-V409 VanDerWaalsContact C-N 3.28Å; D407-V409 PolarHBondContact O-N 3.47Å; V409-R413 WeakPolarHBondContact O-CB 3.37Å; V409-R413 PolarHBondContact O-N 3.16Å
410V98.7Very high97.3Very high1 Ų115.7 Ų15.71%0.0068%0.08CC..Hα-helixtrans-74.3-51.6177.1172.70000110.6Y87 T91 A95 L406 D407 R413 A414Y87-V410 HydrophobicContact CD1-CG1 3.76Å; Y87-V410 HydrophobicContact CE1-CG1 3.55Å; T91-V410 HydrophobicContact CG2-CG1 4.45Å; A95-V410 HydrophobicContact CB-CG2 4.04Å; L406-V410 HydrophobicContact CD1-CG2 3.75Å; L406-V410 HydrophobicContact CG-CG2 3.95Å; L406-V410 WeakPolarHBondContact O-CB 3.42Å; L406-V410 VanDerWaalsContact O-CG2 3.32Å; L406-V410 WeakPolarHBondContact O-CG2 3.43Å; L406-V410 PolarHBondContact O-N 3Å; D407-V410 PolarHBondContact O-N 2.91Å; V410-R413 WeakPolarHBondContact O-CB 3.48Å; V410-R413 PolarHBondContact O-N 3.14Å; V410-A414 WeakPolarHBondContact O-CB 3.43Å; V410-A414 PolarHBondContact O-N 3.18Å
411F98.7Very high97.3Very high2 Ų220.7 Ų20.71%0.00910%0.104CC..Hα-helixtrans-78.3-31.5-177-65.5-69.1000112.5Y87 M88 V364 V386 V392 V394 D407 R413 A414 A415Y87-F411 HydrophobicContact CD1-CE1 4.05Å; M88-F411 HydrophobicContact CB-CE2 4.06Å; M88-F411 HydrophobicContact CB-CZ 4.02Å; M88-F411 HydrophobicContact CG-CE2 4.19Å; M88-F411 HydrophobicContact SD-CE2 4.27Å; V364-F411 HydrophobicContact CG1-CE1 4.18Å; V364-F411 HydrophobicContact CG2-CE1 4.45Å; V386-F411 HydrophobicContact CG1-CB 4.39Å; V386-F411 WeakPolarHBondContact CG1-O 3.4Å; V392-F411 HydrophobicContact CB-CE1 4.46Å; V392-F411 HydrophobicContact CB-CZ 4.45Å; V392-F411 HydrophobicContact CG1-CD1 4.3Å; V392-F411 HydrophobicContact CG1-CE1 3.81Å; V392-F411 HydrophobicContact CG1-CZ 4.09Å; V392-F411 HydrophobicContact CG2-CD1 4.11Å; V392-F411 HydrophobicContact CG2-CD2 4.31Å; V392-F411 HydrophobicContact CG2-CE1 4.3Å; V392-F411 HydrophobicContact CG2-CG 4.12Å; V394-F411 HydrophobicContact CB-CE2 4.46Å; V394-F411 HydrophobicContact CG1-CE2 3.57Å; V394-F411 HydrophobicContact CG1-CZ 3.45Å; V394-F411 VanDerWaalsContact CG1-CZ 3.45Å; V394-F411 HydrophobicContact CG2-CE2 4.1Å; D407-F411 HydrophobicContact CB-CD2 4.08Å; D407-F411 HydrophobicContact CB-CE2 4.33Å; D407-F411 WeakPolarHBondContact O-CD2 3.43Å; D407-F411 PolarHBondContact O-N 3.04Å; D407-F411 WeakPolarHBondContact OD1-CD2 3.41Å; F411-R413 VanDerWaalsContact C-N 3.31Å; F411-R413 PolarHBondContact O-N 3.16Å; F411-A414 PolarHBondContact O-N 3.21Å; F411-A415 WeakPolarHBondContact O-CB 3.3Å; F411-A415 PolarHBondContact O-N 2.82Å
412G98.5Very high97.4Very high0 Ų020.8 Ų20.80%010%0.104CC..Hα-helixtrans-58.4-44.2167.300000111.6A22 L408 G416A22-G412 WeakPolarHBondContact CA-O 3.39Å; A22-G412 WeakPolarHBondContact CB-O 3.37Å; L408-G412 WeakPolarHBondContact O-CA 3.33Å; L408-G412 PolarHBondContact O-N 2.85Å; G412-G416 PolarHBondContact O-N 3.45Å
413R98.1Very high97.3Very high28 Ų2820.6 Ų20.611%0.10610%0.101CC..Hα-helixtrans-64.1-45.8174.2178.5174.7-167.5-98.75.7111.9R21 E94 E98 V409 V410 F411 A415 G416 L417R21-R413 HydrophobicContact CG-CB 4.13Å; E94-R413 IonicContact OE1-CZ 3.77Å; E94-R413 IonicContact OE1-NH1 2.95Å; E94-R413 PolarHBondContact OE1-NH1 3.5Å; E94-R413 IonicContact OE1-NH2 3.44Å; E94-R413 PolarHBondContact OE1-NH2 2.99Å; E94-R413 IonicContact OE2-NH1 3.27Å; E98-R413 IonicContact OE1-NE 3.24Å; E98-R413 WeakPolarHBondContact OE2-CD 2.97Å; E98-R413 IonicContact OE2-NE 2.71Å; E98-R413 PolarHBondContact OE2-NE 3.12Å; V409-R413 WeakPolarHBondContact O-CB 3.37Å; V409-R413 PolarHBondContact O-N 3.16Å; V410-R413 WeakPolarHBondContact O-CB 3.48Å; V410-R413 PolarHBondContact O-N 3.14Å; F411-R413 VanDerWaalsContact C-N 3.31Å; F411-R413 PolarHBondContact O-N 3.16Å; R413-A415 PolarHBondContact O-N 3.3Å; R413-G416 PolarHBondContact O-N 3.07Å; R413-L417 HydrophobicContact CG-CD1 3.75Å; R413-L417 HydrophobicContact CG-CG 4.19Å; R413-L417 WeakPolarHBondContact O-CG 3.5Å; R413-L417 PolarHBondContact O-N 2.71Å
414A98Very high97.1Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-59.1-47.1-179.400000112Y87 V364 V410 F411 G416 L417 H418Y87-A414 HydrophobicContact CE1-CB 3.96Å; Y87-A414 WeakPolarHBondContact OH-CB 3.3Å; V364-A414 WeakPolarHBondContact O-CB 3.47Å; V410-A414 WeakPolarHBondContact O-CB 3.43Å; V410-A414 PolarHBondContact O-N 3.18Å; F411-A414 PolarHBondContact O-N 3.21Å; A414-G416 VanDerWaalsContact C-N 3.27Å; A414-G416 PolarHBondContact O-N 2.73Å; A414-L417 PolarHBondContact O-N 2.87Å; A414-L417 VanDerWaalsContact O-N 3.16Å; A414-H418 PolarHBondContact O-CD2 2.99Å; A414-H418 VanDerWaalsContact O-CD2 3.23Å; A414-H418 PolarHBondContact O-N 3.46Å
415A97.4Very high96.8Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-58.8-38.9178.900000112.5T365 V386 F411 R413 L419T365-A415 WeakPolarHBondContact O-CA 3.29Å; V386-A415 HydrophobicContact CG1-CB 3.61Å; F411-A415 WeakPolarHBondContact O-CB 3.3Å; F411-A415 PolarHBondContact O-N 2.82Å; R413-A415 PolarHBondContact O-N 3.3Å; A415-L419 WeakPolarHBondContact O-CB 3.44Å; A415-L419 PolarHBondContact O-N 3.44Å
416G96.5Very high96.4Very high3 Ų330.5 Ų30.53%0.03116%0.157CC..Hα-helixtrans-74.8-36.3175.600000114.2Q25 G412 R413 A414Q25-G416 VanDerWaalsContact CG-C 3.48Å; G412-G416 PolarHBondContact O-N 3.45Å; R413-G416 PolarHBondContact O-N 3.07Å; A414-G416 VanDerWaalsContact C-N 3.27Å; A414-G416 PolarHBondContact O-N 2.73Å
417L96.8Very high95.9Very high78 Ų7832 Ų3241%0.40817%0.172SC..Hα-helixtrans-65.2-40.1177.5-76.9173.6000112.1Q25 R413 A414Q25-L417 HydrophobicContact CG-CD2 4.26Å; Q25-L417 HydrophobicContact CG-CG 4.06Å; R413-L417 HydrophobicContact CG-CD1 3.75Å; R413-L417 HydrophobicContact CG-CG 4.19Å; R413-L417 WeakPolarHBondContact O-CG 3.5Å; R413-L417 PolarHBondContact O-N 2.71Å; A414-L417 PolarHBondContact O-N 2.87Å; A414-L417 VanDerWaalsContact O-N 3.16Å
418H96.7Very high95.6Very high51 Ų5136.7 Ų36.724%0.23621%0.212CC..THydrogen-bonded Turntrans-96.27.1-176.3-64.4-73.8000113.2T365 A414 Q420 E421 S422T365-H418 HydrophobicContact CG2-CB 3.84Å; A414-H418 PolarHBondContact O-CD2 2.99Å; A414-H418 VanDerWaalsContact O-CD2 3.23Å; A414-H418 PolarHBondContact O-N 3.46Å; H418-Q420 PolarHBondContact O-N 3.24Å; H418-E421 IonicContact ND1-OE2 3.88Å; H418-E421 PolarHBondContact ND1-OE2 3.14Å; H418-E421 VanDerWaalsContact ND1-OE2 3.15Å; H418-E421 PolarHBondContact O-N 3.3Å; H418-S422 VanDerWaalsContact O-CB 3.29Å; H418-S422 WeakPolarHBondContact O-CB 3.28Å; H418-S422 PolarHBondContact O-N 3Å; H418-S422 PolarHBondContact O-OG 3.45Å
419L96.4Very high95.4Very high2 Ų238.3 Ų38.31%0.0122%0.22CC..Hα-helixtrans-59.1-51.3-173.3-173.470.9000111.9A10 I26 A197 F384 A415 E421 S422 I423A10-L419 HydrophobicContact CB-CD2 3.9Å; I26-L419 HydrophobicContact CB-CD2 4.42Å; I26-L419 HydrophobicContact CD1-CD2 3.99Å; I26-L419 HydrophobicContact CG1-CD2 3.79Å; I26-L419 HydrophobicContact CG2-CD2 3.82Å; A197-L419 HydrophobicContact CB-CD1 3.56Å; F384-L419 HydrophobicContact CZ-CD1 4.33Å; A415-L419 WeakPolarHBondContact O-CB 3.44Å; A415-L419 PolarHBondContact O-N 3.44Å; L419-E421 PolarHBondContact O-N 3.09Å; L419-S422 PolarHBondContact O-N 3.5Å; L419-I423 HydrophobicContact CD1-CD1 4.09Å; L419-I423 HydrophobicContact CD1-CG1 4.48Å; L419-I423 HydrophobicContact CD2-CD1 4.22Å; L419-I423 HydrophobicContact CG-CD1 3.76Å; L419-I423 HydrophobicContact CG-CG1 4.42Å; L419-I423 VanDerWaalsContact O-CB 3.3Å; L419-I423 WeakPolarHBondContact O-CB 3.37Å; L419-I423 VanDerWaalsContact O-CG1 3.24Å; L419-I423 WeakPolarHBondContact O-CG1 3.41Å; L419-I423 PolarHBondContact O-N 3.26Å
420Q95.2Very high95.3Very high107 Ų10744.2 Ų44.250%0.524%0.242SC..Hα-helixtrans-66-40-177-71.4-176.4-35.900112.3Q31 H418 I423 A424Q31-Q420 HydrophobicContact CG-CG 4.31Å; H418-Q420 PolarHBondContact O-N 3.24Å; Q420-I423 PolarHBondContact O-N 2.86Å; Q420-A424 WeakPolarHBondContact O-CB 3.4Å; Q420-A424 PolarHBondContact O-N 3.3Å
421E95.9Very high95.2Very high111 Ų11148.5 Ų48.552%0.51927%0.266SS..Hα-helixtrans-61.1-49.9174.5-177.2175.9-155.100110.3H418 L419 I423 A424 E425H418-E421 IonicContact ND1-OE2 3.88Å; H418-E421 PolarHBondContact ND1-OE2 3.14Å; H418-E421 VanDerWaalsContact ND1-OE2 3.15Å; H418-E421 PolarHBondContact O-N 3.3Å; L419-E421 PolarHBondContact O-N 3.09Å; E421-I423 VanDerWaalsContact C-N 3.32Å; E421-I423 PolarHBondContact O-N 3.39Å; E421-A424 WeakPolarHBondContact O-CB 3.44Å; E421-A424 PolarHBondContact O-N 3.35Å; E421-E425 WeakPolarHBondContact O-CG 3.38Å; E421-E425 PolarHBondContact O-N 3.05Å
422S94.9Very high95.1Very high2 Ų249.5 Ų49.51%0.01427%0.274CS..Hα-helixtrans-61.5-39.5178.3-57.50000112.4H418 L419 A424 Q426H418-S422 VanDerWaalsContact O-CB 3.29Å; H418-S422 WeakPolarHBondContact O-CB 3.28Å; H418-S422 PolarHBondContact O-N 3Å; H418-S422 PolarHBondContact O-OG 3.45Å; L419-S422 PolarHBondContact O-N 3.5Å; S422-A424 VanDerWaalsContact C-N 3.34Å; S422-Q426 PolarHBondContact O-N 2.87Å
423I92.8Very high95Very high6 Ų651.3 Ų51.33%0.03129%0.287CS..Hα-helixtrans-68.4-33.5175.9-76176.3000111.5R196 A197 L419 Q420 E421 Q426R196-I423 HydrophobicContact CB-CD1 4.28Å; A197-I423 HydrophobicContact CB-CD1 3.95Å; A197-I423 HydrophobicContact CB-CG1 4.2Å; L419-I423 HydrophobicContact CD1-CD1 4.09Å; L419-I423 HydrophobicContact CD1-CG1 4.48Å; L419-I423 HydrophobicContact CD2-CD1 4.22Å; L419-I423 HydrophobicContact CG-CD1 3.76Å; L419-I423 HydrophobicContact CG-CG1 4.42Å; L419-I423 VanDerWaalsContact O-CB 3.3Å; L419-I423 WeakPolarHBondContact O-CB 3.37Å; L419-I423 VanDerWaalsContact O-CG1 3.24Å; L419-I423 WeakPolarHBondContact O-CG1 3.41Å; L419-I423 PolarHBondContact O-N 3.26Å; Q420-I423 PolarHBondContact O-N 2.86Å; E421-I423 VanDerWaalsContact C-N 3.32Å; E421-I423 PolarHBondContact O-N 3.39Å; I423-Q426 VanDerWaalsContact O-CG 3.24Å; I423-Q426 WeakPolarHBondContact O-CG 3.44Å
424A93.4Very high94.9Very high72 Ų7255 Ų5560%0.59531%0.305SS*.Hα-helixtrans-72.7-41.117600000111.4Q420 E421 S422 Q426 G427Q420-A424 WeakPolarHBondContact O-CB 3.4Å; Q420-A424 PolarHBondContact O-N 3.3Å; E421-A424 WeakPolarHBondContact O-CB 3.44Å; E421-A424 PolarHBondContact O-N 3.35Å; S422-A424 VanDerWaalsContact C-N 3.34Å; A424-Q426 VanDerWaalsContact C-N 3.35Å; A424-Q426 PolarHBondContact O-N 2.88Å; A424-G427 PolarHBondContact O-N 2.96Å; A424-G427 VanDerWaalsContact O-N 3.16Å
425E92.4Very high94.8Very high122 Ų12258.4 Ų58.457%0.5733%0.329SS*.Hα-helixtrans-58.6-41.4177.4-75179.8173.100112.9E421 G427E421-E425 WeakPolarHBondContact O-CG 3.38Å; E421-E425 PolarHBondContact O-N 3.05Å; E425-G427 VanDerWaalsContact C-N 3.28Å; E425-G427 PolarHBondContact O-N 2.88Å
426Q89Confident94.8Very high39 Ų3959.5 Ų59.518%0.18234%0.335CS..THydrogen-bonded Turntrans-75.3-14.8179.367.1-17817.500113.8R196 S422 I423 A424R196-Q426 PolarHBondContact O-NE2 3.32Å; S422-Q426 PolarHBondContact O-N 2.87Å; I423-Q426 VanDerWaalsContact O-CG 3.24Å; I423-Q426 WeakPolarHBondContact O-CG 3.44Å; A424-Q426 VanDerWaalsContact C-N 3.35Å; A424-Q426 PolarHBondContact O-N 2.88Å
427G89.9Confident94.9Very high31 Ų3160.3 Ų60.332%0.3234%0.339SS..  trans71.3-160.8-177.200000114.6A424 E425A424-G427 PolarHBondContact O-N 2.96Å; A424-G427 VanDerWaalsContact O-N 3.16Å; E425-G427 VanDerWaalsContact C-N 3.28Å; E425-G427 PolarHBondContact O-N 2.88Å
428A91.4Very high94.9Very high102 Ų10261 Ų6184%0.84334%0.34SS*.PPolyproline II helixtrans-79.6124.8177.300000110.3
429L93.5Very high94.9Very high46 Ų4661.1 Ų61.124%0.24135%0.35CS..PPolyproline II helixtrans-91.9143.4175.1-57.1179.5000109.8A176 V178 P381A176-L429 HydrophobicContact CB-CD1 4.14Å; A176-L429 HydrophobicContact CB-CD2 3.95Å; A176-L429 HydrophobicContact CB-CG 4.46Å; V178-L429 HydrophobicContact CG1-CB 4.27Å; V178-L429 HydrophobicContact CG1-CD1 4.37Å; P381-L429 HydrophobicContact CB-CD2 3.94Å
430R96.2Very high95Very high125 Ų12561.3 Ų61.347%0.47235%0.352SS..PPolyproline II helixtrans-65.1142.2170.8-172.3-171.4-65.6164.312.4110.1N172 D174N172-R430 PolarHBondContact ND2-O 2.81Å; D174-R430 VanDerWaalsContact CG-CZ 3.48Å; D174-R430 VanDerWaalsContact CG-NH2 3.3Å; D174-R430 IonicContact OD1-CZ 3.48Å; D174-R430 IonicContact OD1-NE 3.29Å; D174-R430 IonicContact OD1-NH1 2.79Å; D174-R430 PolarHBondContact OD1-NH1 2.87Å; D174-R430 IonicContact OD1-NH2 2.72Å; D174-R430 PolarHBondContact OD1-NH2 3.44Å; D174-R430 WeakPolarHBondContact OD2-CB 3.45Å; D174-R430 IonicContact OD2-CZ 3.74Å; D174-R430 IonicContact OD2-NE 3.81Å; D174-R430 PolarHBondContact OD2-NE 2.8Å; D174-R430 IonicContact OD2-NH1 3.12Å; D174-R430 IonicContact OD2-NH2 3.08Å; D174-R430 PolarHBondContact OD2-NH2 3.12Å; D174-R430 VanDerWaalsContact OD2-NH2 3.08Å
431D96.6Very high95.1Very high92 Ų9257.2 Ų57.249%0.49233%0.333SS..PPolyproline II helixtrans-66.1154.1171.3-78-15.1000112K194K194-D431 WeakPolarHBondContact CE-OD1 3.23Å; K194-D431 IonicContact NZ-OD1 3.82Å; K194-D431 PolarHBondContact NZ-OD1 3.48Å; K194-D431 IonicContact NZ-OD2 3.66Å; K194-D431 PolarHBondContact NZ-OD2 2.8Å
432A97.4Very high95.1Very high23 Ų2357 Ų5719%0.1934%0.336CS..PPolyproline II helixtrans-64.6140.3171.300000111.3V170 V178 D436 V437V170-A432 HydrophobicContact CG1-CB 3.58Å; V178-A432 HydrophobicContact CG2-CB 3.81Å; A432-D436 HydrophobicContact CB-CB 4.02Å; A432-V437 HydrophobicContact CB-CG2 4.08Å
433S96.9Very high95.2Very high37 Ų3757.9 Ų57.926%0.25934%0.338SS..PPolyproline II helixtrans-76.3171.3162.963.20000111.2Q173 S435 D436 V437Q173-S433 PolarHBondContact NE2-OG 2.87Å; S433-S435 VanDerWaalsContact C-N 3.28Å; S433-S435 PolarHBondContact O-N 2.77Å; S433-S435 PolarHBondContact OG-N 3.21Å; S433-S435 PolarHBondContact OG-OG 3.34Å; S433-D436 PolarHBondContact N-OD2 3Å; S433-D436 PolarHBondContact O-N 3.24Å; S433-D436 PolarHBondContact OG-N 3.09Å; S433-D436 PolarHBondContact OG-OD1 3.45Å; S433-D436 PolarHBondContact OG-OD2 2.93Å; S433-D436 VanDerWaalsContact OG-OD2 3.13Å; S433-V437 PolarHBondContact O-N 3.43Å
434E95.8Very high95.5Very high106 Ų10658 Ų5850%0.49534%0.339SS..Hα-helixtrans-60-38.7172-169.8164.7-166.200111.8D436 V437 E438E434-D436 VanDerWaalsContact C-N 3.33Å; E434-D436 PolarHBondContact O-N 3.17Å; E434-V437 PolarHBondContact O-N 2.84Å; E434-E438 WeakPolarHBondContact O-CG 3.32Å; E434-E438 PolarHBondContact O-N 3.13Å
435S96.5Very high95.6Very high72 Ų7257.8 Ų57.850%0.50333%0.328SS..Hα-helixtrans-64.7-3517760.40000113.2S433 V437 E438 A439S433-S435 VanDerWaalsContact C-N 3.28Å; S433-S435 PolarHBondContact O-N 2.77Å; S433-S435 PolarHBondContact OG-N 3.21Å; S433-S435 PolarHBondContact OG-OG 3.34Å; S435-V437 VanDerWaalsContact C-N 3.34Å; S435-E438 PolarHBondContact O-N 3.5Å; S435-A439 WeakPolarHBondContact O-CB 3.4Å; S435-A439 PolarHBondContact O-N 3.41Å
436D97.4Very high95.8Very high23 Ų2355.2 Ų55.212%0.12331%0.313CS..Hα-helixtrans-66.5-40.4177.9-61.6-17.5000110.7V170 K171 N172 Q173 A432 S433 E434V170-D436 HydrophobicContact CG1-CB 4.34Å; K171-D436 VanDerWaalsContact O-CB 3.31Å; K171-D436 WeakPolarHBondContact O-CB 3.37Å; N172-D436 WeakPolarHBondContact CA-OD2 3.4Å; Q173-D436 VanDerWaalsContact CD-OD2 3.28Å; Q173-D436 PolarHBondContact NE2-OD2 3.11Å; A432-D436 HydrophobicContact CB-CB 4.02Å; S433-D436 PolarHBondContact N-OD2 3Å; S433-D436 PolarHBondContact O-N 3.24Å; S433-D436 PolarHBondContact OG-N 3.09Å; S433-D436 PolarHBondContact OG-OD1 3.45Å; S433-D436 PolarHBondContact OG-OD2 2.93Å; S433-D436 VanDerWaalsContact OG-OD2 3.13Å; E434-D436 VanDerWaalsContact C-N 3.33Å; E434-D436 PolarHBondContact O-N 3.17Å
437V97.8Very high96.2Very high19 Ų1953.4 Ų53.412%0.11531%0.305CS..Hα-helixtrans-68.2-42.8174.8179.20000110.3L3 V170 T181 Y192 A432 S433 E434 S435 A439 S440L3-V437 HydrophobicContact CD1-CG1 3.83Å; V170-V437 HydrophobicContact CG1-CG2 4.09Å; T181-V437 HydrophobicContact CG2-CG1 4.08Å; Y192-V437 HydrophobicContact CD1-CG2 3.93Å; Y192-V437 HydrophobicContact CE1-CG2 4Å; Y192-V437 HydrophobicContact CG-CG1 4.44Å; Y192-V437 HydrophobicContact CG-CG2 4.27Å; A432-V437 HydrophobicContact CB-CG2 4.08Å; S433-V437 PolarHBondContact O-N 3.43Å; E434-V437 PolarHBondContact O-N 2.84Å; S435-V437 VanDerWaalsContact C-N 3.34Å; V437-A439 PolarHBondContact O-N 2.84Å; V437-S440 WeakPolarHBondContact O-CB 3.48Å; V437-S440 PolarHBondContact O-N 2.8Å; V437-S440 PolarHBondContact O-OG 3.02Å
438E96.9Very high96.5Very high92 Ų9254 Ų5443%0.4330%0.3SS..Hα-helixtrans-61.6-40.2177.8-75.4-178.916500112.8E434 S435 S440 L441E434-E438 WeakPolarHBondContact O-CG 3.32Å; E434-E438 PolarHBondContact O-N 3.13Å; S435-E438 PolarHBondContact O-N 3.5Å; E438-S440 PolarHBondContact O-N 2.95Å; E438-L441 WeakPolarHBondContact O-CB 3.27Å; E438-L441 PolarHBondContact O-N 3.14Å
439A96.9Very high96.7Very high55 Ų5555.5 Ų55.546%0.45529%0.294SS..Hα-helixtrans-58.8-34176.500000112.6S435 V437 L441 D442S435-A439 WeakPolarHBondContact O-CB 3.4Å; S435-A439 PolarHBondContact O-N 3.41Å; V437-A439 PolarHBondContact O-N 2.84Å; A439-L441 PolarHBondContact O-N 3.06Å; A439-L441 VanDerWaalsContact O-N 3.15Å; A439-D442 PolarHBondContact O-N 2.61Å
440S97.5Very high96.8Very high5 Ų555.1 Ų55.14%0.03529%0.293CS..THydrogen-bonded Turntrans-68.1-8.9175.2790000113.9T181 V437 E438T181-S440 WeakPolarHBondContact CG2-OG 3.41Å; T181-S440 WeakPolarHBondContact OG1-CB 3.43Å; T181-S440 PolarHBondContact OG1-OG 3.37Å; V437-S440 WeakPolarHBondContact O-CB 3.48Å; V437-S440 PolarHBondContact O-N 2.8Å; V437-S440 PolarHBondContact O-OG 3.02Å; E438-S440 PolarHBondContact O-N 2.95Å
441L98Very high96.8Very high21 Ų2153.4 Ų53.411%0.1129%0.286CS..THydrogen-bonded Turntrans-102.3-8.3-179.8-55177.6000113.3L3 L167 T181 V190 E438 A439 R443 L444 N445L3-L441 HydrophobicContact CD1-CD1 3.91Å; L3-L441 HydrophobicContact CD1-CD2 4.2Å; L3-L441 HydrophobicContact CD1-CG 4.5Å; L3-L441 HydrophobicContact CD2-CD1 4.5Å; L3-L441 HydrophobicContact CG-CD1 4.41Å; L167-L441 HydrophobicContact CD1-CD2 4.05Å; T181-L441 HydrophobicContact CG2-CD2 4.06Å; V190-L441 HydrophobicContact CG1-CD2 3.75Å; E438-L441 WeakPolarHBondContact O-CB 3.27Å; E438-L441 PolarHBondContact O-N 3.14Å; A439-L441 PolarHBondContact O-N 3.06Å; A439-L441 VanDerWaalsContact O-N 3.15Å; L441-R443 PolarHBondContact O-N 3.3Å; L441-R443 VanDerWaalsContact O-N 3.16Å; L441-L444 WeakPolarHBondContact O-CB 3.47Å; L441-L444 PolarHBondContact O-N 3.41Å; L441-L444 VanDerWaalsContact O-N 3.07Å; L441-N445 WeakPolarHBondContact O-CB 3.39Å; L441-N445 VanDerWaalsContact O-CG 3.32Å; L441-N445 PolarHBondContact O-N 3.19Å; L441-N445 PolarHBondContact O-ND2 3.37Å
442D96.9Very high96.7Very high107 Ų10755.2 Ų55.257%0.57230%0.296SS*.Hα-helixtrans-53.4-42.6-173.3-77.7-14.1000112.6A439 N445 R446A439-D442 PolarHBondContact O-N 2.61Å; D442-N445 PolarHBondContact O-N 2.69Å; D442-R446 WeakPolarHBondContact O-CB 3.3Å; D442-R446 PolarHBondContact O-N 3.19Å
443R96.9Very high96.6Very high20 Ų2056.3 Ų56.38%0.07531%0.31CS..Hα-helixtrans-66.1-44.1179.8-172.217165.31273.2112.6L167 D168 R228 L441 N445 R446 W447 L514 D517 N518L167-R443 PolarHBondContact O-NH2 3.09Å; D168-R443 IonicContact OD2-CZ 3.13Å; D168-R443 IonicContact OD2-NE 3.73Å; D168-R443 PolarHBondContact OD2-NE 2.74Å; D168-R443 VanDerWaalsContact OD2-NE 3.15Å; D168-R443 IonicContact OD2-NH2 3.94Å; R228-R443 VanDerWaalsContact CZ-CZ 3.44Å; R228-R443 VanDerWaalsContact NH2-NH2 3.18Å; L441-R443 PolarHBondContact O-N 3.3Å; L441-R443 VanDerWaalsContact O-N 3.16Å; R443-N445 VanDerWaalsContact C-N 3.35Å; R443-R446 PolarHBondContact O-N 3.3Å; R443-W447 PolarHBondContact O-N 3.49Å; R443-L514 HydrophobicContact CG-CD2 3.92Å; R443-L514 PolarHBondContact NH1-O 3.35Å; R443-D517 WeakPolarHBondContact CD-OD2 3.48Å; R443-D517 WeakPolarHBondContact CG-OD2 3.36Å; R443-N518 PolarHBondContact NH1-OD1 2.85Å
444L97.6Very high96.6Very high9 Ų957.5 Ų57.55%0.04731%0.311CS..Hα-helixtrans-62.6-45.3175174.562.4000110.5L167 V190 L441 R446 W447 N448 R510 L514L167-L444 HydrophobicContact CD1-CD2 3.71Å; L167-L444 HydrophobicContact CD2-CB 4.36Å; L167-L444 HydrophobicContact CD2-CD2 4.34Å; V190-L444 HydrophobicContact CG2-CD2 3.73Å; L441-L444 WeakPolarHBondContact O-CB 3.47Å; L441-L444 PolarHBondContact O-N 3.41Å; L441-L444 VanDerWaalsContact O-N 3.07Å; L444-R446 VanDerWaalsContact C-N 3.35Å; L444-R446 PolarHBondContact O-N 2.92Å; L444-W447 PolarHBondContact O-N 3.23Å; L444-N448 WeakPolarHBondContact O-CB 3.33Å; L444-N448 VanDerWaalsContact O-CG 3.32Å; L444-N448 PolarHBondContact O-N 3.39Å; L444-N448 PolarHBondContact O-ND2 2.97Å; L444-R510 HydrophobicContact CD1-CG 4.3Å; L444-L514 HydrophobicContact CD1-CD1 4.45Å
445N96.9Very high96.7Very high67 Ų6755.2 Ų55.236%0.35830%0.302SS..Hα-helixtrans-63.5-39.3179.5-69.9-27.8000111.8L441 D442 R443 N448 N449L441-N445 WeakPolarHBondContact O-CB 3.39Å; L441-N445 VanDerWaalsContact O-CG 3.32Å; L441-N445 PolarHBondContact O-N 3.19Å; L441-N445 PolarHBondContact O-ND2 3.37Å; D442-N445 PolarHBondContact O-N 2.69Å; R443-N445 VanDerWaalsContact C-N 3.35Å; N445-N448 PolarHBondContact O-N 2.74Å; N445-N449 VanDerWaalsContact O-CB 3.3Å; N445-N449 WeakPolarHBondContact O-CB 3.2Å; N445-N449 VanDerWaalsContact O-CG 3.23Å; N445-N449 PolarHBondContact O-N 2.79Å; N445-N449 PolarHBondContact O-ND2 3.38Å
446R96.8Very high96.8Very high69 Ų6952.1 Ų52.126%0.2628%0.281SS..Hα-helixtrans-56-53.3174.3-177.7-169.969.2106.6-10.9111.5D442 R443 L444 N448 N449 N450 L494 K495 D517D442-R446 WeakPolarHBondContact O-CB 3.3Å; D442-R446 PolarHBondContact O-N 3.19Å; R443-R446 PolarHBondContact O-N 3.3Å; L444-R446 VanDerWaalsContact C-N 3.35Å; L444-R446 PolarHBondContact O-N 2.92Å; R446-N448 VanDerWaalsContact C-N 3.35Å; R446-N448 PolarHBondContact O-N 3.32Å; R446-N449 PolarHBondContact O-N 3.39Å; R446-N450 PolarHBondContact O-N 3.41Å; R446-L494 PolarHBondContact NH1-O 3.34Å; R446-K495 PolarHBondContact NH1-O 2.99Å; R446-D517 IonicContact CZ-OD1 3.64Å; R446-D517 IonicContact NH2-OD1 2.79Å; R446-D517 PolarHBondContact NH2-OD1 2.98Å; R446-D517 IonicContact NH2-OD2 3.65Å; R446-D517 PolarHBondContact NH2-OD2 2.87Å
447W97.5Very high96.8Very high1 Ų155.5 Ų55.50%0.00430%0.302CS..Hα-helixtrans-63.2-42.1178.2-77.1117.2000112.1R443 L444 N449 R451 P456 L494 A497 L499 C513 D517R443-W447 PolarHBondContact O-N 3.49Å; L444-W447 PolarHBondContact O-N 3.23Å; W447-N449 PolarHBondContact O-N 3.12Å; W447-R451 PolarHBondContact O-NH1 3.5Å; W447-P456 HydrophobicContact CH2-CB 4.32Å; W447-L494 HydrophobicContact CH2-CD1 3.96Å; W447-L494 HydrophobicContact CZ2-CD1 3.89Å; W447-A497 HydrophobicContact CH2-CB 3.46Å; W447-A497 VanDerWaalsContact CH2-CB 3.46Å; W447-A497 HydrophobicContact CZ3-CB 3.68Å; W447-L499 HydrophobicContact CB-CD2 4.35Å; W447-L499 HydrophobicContact CE3-CB 4.12Å; W447-L499 WeakPolarHBondContact O-CB 3.41Å; W447-C513 HydrophobicContact CD2-CB 3.64Å; W447-C513 HydrophobicContact CE3-CB 3.85Å; W447-C513 HydrophobicContact CG-CB 4.22Å; W447-C513 HydrophobicContact CH2-CB 3.83Å; W447-C513 HydrophobicContact CZ2-CB 3.65Å; W447-C513 WeakPolarHBondContact CZ2-O 3.35Å; W447-C513 HydrophobicContact CZ3-CB 3.94Å; W447-C513 PolarHBondContact NE1-O 2.97Å; W447-D517 PolarHBondContact NE1-OD2 3.23Å
448N96.1Very high96.8Very high43 Ų4356.7 Ų56.723%0.2331%0.314CS..Hα-helixtrans-65.5-19.8177.4-74.8-18.6000113.3L444 N445 R446 R451 R510L444-N448 WeakPolarHBondContact O-CB 3.33Å; L444-N448 VanDerWaalsContact O-CG 3.32Å; L444-N448 PolarHBondContact O-N 3.39Å; L444-N448 PolarHBondContact O-ND2 2.97Å; N445-N448 PolarHBondContact O-N 2.74Å; R446-N448 VanDerWaalsContact C-N 3.35Å; R446-N448 PolarHBondContact O-N 3.32Å; N448-R451 VanDerWaalsContact C-NH1 3.35Å; N448-R451 PolarHBondContact O-NH1 3.12Å; N448-R451 PolarHBondContact O-NH2 3.36Å; N448-R510 PolarHBondContact OD1-NE 2.98Å
449N95.8Very high96.9Very high134 Ų13452.3 Ų52.372%0.71729%0.293SS*.Hα-helixtrans-106.4-14.9-178.6-68.1-34.3000114.2N445 R446 W447N445-N449 VanDerWaalsContact O-CB 3.3Å; N445-N449 WeakPolarHBondContact O-CB 3.2Å; N445-N449 VanDerWaalsContact O-CG 3.23Å; N445-N449 PolarHBondContact O-N 2.79Å; N445-N449 PolarHBondContact O-ND2 3.38Å; R446-N449 PolarHBondContact O-N 3.39Å; W447-N449 PolarHBondContact O-N 3.12Å
450N95.5Very high97Very high38 Ų3851.7 Ų51.720%0.20328%0.279CS..  trans-96.2120.6178.9-163.211.5000112.9R446 N452 N496 A497 L499R446-N450 PolarHBondContact O-N 3.41Å; N450-N452 PolarHBondContact ND2-O 3.38Å; N450-N452 PolarHBondContact OD1-N 3.06Å; N450-N452 PolarHBondContact OD1-O 3.4Å; N450-N496 PolarHBondContact ND2-O 3.39Å; N450-A497 PolarHBondContact ND2-O 3.01Å; N450-L499 PolarHBondContact O-N 3.25Å; N450-L499 VanDerWaalsContact O-N 3.12Å
451R94.8Very high97Very high89 Ų8957.2 Ų57.234%0.33630%0.302SS..  trans-118.5-4.4179.8-62.4-62.5175.5-88.2-3.8114W447 N448 L499 T502W447-R451 PolarHBondContact O-NH1 3.5Å; N448-R451 VanDerWaalsContact C-NH1 3.35Å; N448-R451 PolarHBondContact O-NH1 3.12Å; N448-R451 PolarHBondContact O-NH2 3.36Å; R451-L499 WeakPolarHBondContact CD-O 3.38Å; R451-T502 VanDerWaalsContact NE-CG2 3.28Å
452N94.9Very high97.1Very high129 Ų12957.3 Ų57.369%0.6931%0.306SS*.SBendtrans-121.4155.7-178.3-64.1-53.1000109.9N450N450-N452 PolarHBondContact ND2-O 3.38Å; N450-N452 PolarHBondContact OD1-N 3.06Å; N450-N452 PolarHBondContact OD1-O 3.4Å
453G95.4Very high97.1Very high47 Ų4752.2 Ų52.249%0.48528%0.279SS..SBendtrans109.6-157.1177.600000113.2N496 R498G453-N496 WeakPolarHBondContact CA-O 3.33Å; G453-R498 PolarHBondContact O-NH1 2.9Å
454E97.3Very high97.2Very high61 Ų6152.8 Ų52.829%0.28528%0.282SS..BIsolated β-bridgetrans-77.5150-165.8-172.9168.8-175.900112.9I459 R493 N496 A497 R498E454-I459 HydrophobicContact CB-CD1 4.11Å; E454-I459 HydrophobicContact CG-CD1 4.04Å; E454-I459 HydrophobicContact CG-CG1 3.93Å; E454-R493 IonicContact OE1-CZ 3.72Å; E454-R493 IonicContact OE1-NE 2.78Å; E454-R493 PolarHBondContact OE1-NE 2.78Å; E454-R493 IonicContact OE1-NH2 3.79Å; E454-R493 PolarHBondContact OE1-NH2 3.47Å; E454-R493 IonicContact OE2-CZ 2.72Å; E454-R493 IonicContact OE2-NE 3.17Å; E454-R493 PolarHBondContact OE2-NE 2.95Å; E454-R493 IonicContact OE2-NH2 4Å; E454-N496 PolarHBondContact N-O 3.06Å; E454-A497 WeakPolarHBondContact O-CA 3.16Å; E454-R498 PolarHBondContact O-N 2.98Å; E454-R498 VanDerWaalsContact O-N 3.12Å
455D97.7Very high97.2Very high59 Ų5955.3 Ų55.332%0.31629%0.294SS..  trans-70.7122.9176.3-179.4-12000110.6V457 A458 I459D455-V457 PolarHBondContact O-N 3.16Å; D455-V457 WeakPolarHBondContact OD1-CB 3.24Å; D455-V457 WeakPolarHBondContact OD1-CG2 3.28Å; D455-V457 PolarHBondContact OD1-N 2.93Å; D455-A458 HydrophobicContact CB-CB 4.5Å; D455-A458 PolarHBondContact O-N 3.33Å; D455-A458 VanDerWaalsContact O-N 3.14Å; D455-I459 PolarHBondContact O-N 3.12Å
456P98Very high97.3Very high7 Ų752.4 Ų52.45%0.04528%0.278CS..Hα-helixtrans-58.7-27.2178.924.5-35000113.6W447 I459 R460 R498 L516W447-P456 HydrophobicContact CH2-CB 4.32Å; P456-I459 PolarHBondContact O-N 3.48Å; P456-R460 WeakPolarHBondContact O-CB 3.44Å; P456-R460 PolarHBondContact O-N 2.92Å; P456-R498 WeakPolarHBondContact CD-O 3.26Å; P456-L516 HydrophobicContact CB-CD2 3.8Å; P456-L516 WeakPolarHBondContact O-CD2 3.36Å
457V97.8Very high97.3Very high94 Ų9449.1 Ų49.157%0.5727%0.266SS*.Hα-helixtrans-65-42.1177.71790000111D455 R460 K461D455-V457 PolarHBondContact O-N 3.16Å; D455-V457 WeakPolarHBondContact OD1-CB 3.24Å; D455-V457 WeakPolarHBondContact OD1-CG2 3.28Å; D455-V457 PolarHBondContact OD1-N 2.93Å; V457-R460 PolarHBondContact O-N 2.79Å; V457-K461 PolarHBondContact O-N 3.33Å
458A98.1Very high97.2Very high44 Ų4450.9 Ų50.936%0.36427%0.274SS..Hα-helixtrans-66.4-39.1178.200000111.7D455 K461 A462D455-A458 HydrophobicContact CB-CB 4.5Å; D455-A458 PolarHBondContact O-N 3.33Å; D455-A458 VanDerWaalsContact O-N 3.14Å; A458-K461 PolarHBondContact O-N 3.29Å; A458-A462 PolarHBondContact O-N 3.38Å
459I98.6Very high97.1Very high0 Ų055.3 Ų55.30%029%0.293CS..Hα-helixtrans-65.9-46.5177.4-60.7175.5000110.5E454 D455 P456 K461 A462 L463 I490 R493 L494 A497 L516E454-I459 HydrophobicContact CB-CD1 4.11Å; E454-I459 HydrophobicContact CG-CD1 4.04Å; E454-I459 HydrophobicContact CG-CG1 3.93Å; D455-I459 PolarHBondContact O-N 3.12Å; P456-I459 PolarHBondContact O-N 3.48Å; I459-K461 VanDerWaalsContact C-N 3.31Å; I459-K461 PolarHBondContact O-N 3.28Å; I459-A462 PolarHBondContact O-N 3.48Å; I459-L463 PolarHBondContact O-N 3.32Å; I459-I490 HydrophobicContact CG2-CG2 3.85Å; I459-R493 HydrophobicContact CD1-CB 4.35Å; I459-L494 HydrophobicContact CD1-CD1 4.46Å; I459-L494 HydrophobicContact CG2-CB 4.2Å; I459-L494 HydrophobicContact CG2-CD1 4.31Å; I459-A497 HydrophobicContact CD1-CB 3.71Å; I459-L516 HydrophobicContact CB-CD2 4.21Å; I459-L516 HydrophobicContact CG2-CD2 4.18Å
460R98.7Very high97.1Very high41 Ų4149.9 Ų49.916%0.15527%0.265CS..Hα-helixtrans-56.1-46.2175.8-176.7-176.7-69-1055.2111.6P456 V457 L463 Q464 E512 L516P456-R460 WeakPolarHBondContact O-CB 3.44Å; P456-R460 PolarHBondContact O-N 2.92Å; V457-R460 PolarHBondContact O-N 2.79Å; R460-L463 PolarHBondContact O-N 2.88Å; R460-Q464 WeakPolarHBondContact O-CG 3.5Å; R460-Q464 PolarHBondContact O-N 3.18Å; R460-E512 PolarHBondContact NH2-O 3.08Å; R460-L516 HydrophobicContact CB-CD1 3.78Å; R460-L516 HydrophobicContact CB-CD2 4.44Å; R460-L516 HydrophobicContact CG-CD1 4.21Å
461K98.4Very high97.2Very high122 Ų12248.1 Ų48.153%0.5326%0.255SS..Hα-helixtrans-61.4-45.9178.1-178.3174.9169.7178.90111.6V457 A458 I459 L463 Q464 E465V457-K461 PolarHBondContact O-N 3.33Å; A458-K461 PolarHBondContact O-N 3.29Å; I459-K461 VanDerWaalsContact C-N 3.31Å; I459-K461 PolarHBondContact O-N 3.28Å; K461-L463 VanDerWaalsContact C-N 3.34Å; K461-L463 PolarHBondContact O-N 3.23Å; K461-Q464 PolarHBondContact O-N 2.94Å; K461-E465 WeakPolarHBondContact CE-OE1 3.43Å; K461-E465 HydrophobicContact CG-CG 4.44Å; K461-E465 IonicContact NZ-OE1 3.06Å; K461-E465 WeakPolarHBondContact O-CG 3.3Å; K461-E465 PolarHBondContact O-N 3.33Å
462A98.6Very high97.1Very high22 Ų2244.9 Ų44.918%0.18225%0.246CC..Hα-helixtrans-61.2-41.3177.800000112.4A458 I459 C466 I490A458-A462 PolarHBondContact O-N 3.38Å; I459-A462 PolarHBondContact O-N 3.48Å; A462-C466 VanDerWaalsContact O-CB 3.27Å; A462-C466 WeakPolarHBondContact O-CB 3.31Å; A462-C466 PolarHBondContact O-N 2.97Å; A462-I490 HydrophobicContact CB-CD1 4.13Å; A462-I490 HydrophobicContact CB-CG1 4.32Å
463L98.8Very high96.9Very high0 Ų039.1 Ų39.10%022%0.215CC..Hα-helixtrans-58.5-49.9173.8177.1155.7000111.1I208 I459 R460 K461 E465 C466 M467 L487 I490 L519 M520 A523I208-L463 HydrophobicContact CB-CD2 4.14Å; I459-L463 PolarHBondContact O-N 3.32Å; R460-L463 PolarHBondContact O-N 2.88Å; K461-L463 VanDerWaalsContact C-N 3.34Å; K461-L463 PolarHBondContact O-N 3.23Å; L463-E465 PolarHBondContact O-N 2.55Å; L463-C466 WeakPolarHBondContact O-CB 3.44Å; L463-C466 PolarHBondContact O-N 3.32Å; L463-M467 HydrophobicContact CD2-CG 4.44Å; L463-M467 WeakPolarHBondContact O-CG 3.23Å; L463-M467 PolarHBondContact O-N 2.97Å; L463-L487 HydrophobicContact CG-CD2 4.48Å; L463-I490 HydrophobicContact CB-CG2 4.25Å; L463-L519 HydrophobicContact CD1-CB 4.32Å; L463-M520 HydrophobicContact CD1-CB 4.09Å; L463-M520 HydrophobicContact CD1-CE 3.8Å; L463-M520 HydrophobicContact CD1-SD 3.8Å; L463-M520 HydrophobicContact CG-CE 4.46Å; L463-A523 HydrophobicContact CD1-CB 4.15Å; L463-A523 HydrophobicContact CD2-CB 4.25Å; L463-A523 HydrophobicContact CG-CB 4.18Å
464Q98.3Very high96.5Very high32 Ų3237.8 Ų37.815%0.1520%0.197CC..Hα-helixtrans-65.3-40.7-176.4-75.2175.9-2200113R207 I208 Q210 R460 K461 Q468R207-Q464 PolarHBondContact O-NE2 2.64Å; I208-Q464 WeakPolarHBondContact O-CA 3.44Å; Q210-Q464 HydrophobicContact CB-CB 4.16Å; Q210-Q464 PolarHBondContact N-O 3.01Å; R460-Q464 WeakPolarHBondContact O-CG 3.5Å; R460-Q464 PolarHBondContact O-N 3.18Å; K461-Q464 PolarHBondContact O-N 2.94Å; Q464-Q468 VanDerWaalsContact O-CB 3.27Å; Q464-Q468 WeakPolarHBondContact O-CB 3.17Å; Q464-Q468 PolarHBondContact O-N 3.3Å
465E97.3Very high96.3Very high63 Ų6335 Ų3529%0.29418%0.183SC..Hα-helixtrans-65.5-42.3174.6-72.4174.7173.700111.2K461 L463 M467 Q468 H469K461-E465 WeakPolarHBondContact CE-OE1 3.43Å; K461-E465 HydrophobicContact CG-CG 4.44Å; K461-E465 IonicContact NZ-OE1 3.06Å; K461-E465 WeakPolarHBondContact O-CG 3.3Å; K461-E465 PolarHBondContact O-N 3.33Å; L463-E465 PolarHBondContact O-N 2.55Å; E465-M467 PolarHBondContact O-N 3.45Å; E465-Q468 PolarHBondContact O-N 3.28Å; E465-H469 WeakPolarHBondContact O-CB 3.27Å; E465-H469 VanDerWaalsContact O-CG 3.27Å; E465-H469 PolarHBondContact O-N 2.85Å; E465-H469 PolarHBondContact O-ND1 3.13Å
466C98.1Very high96Very high5 Ų536.6 Ų36.63%0.03419%0.189CC..Hα-helixtrans-60.1-45.9176.5-177.20000111.9A462 L463 N470 G483 L487 I490A462-C466 VanDerWaalsContact O-CB 3.27Å; A462-C466 WeakPolarHBondContact O-CB 3.31Å; A462-C466 PolarHBondContact O-N 2.97Å; L463-C466 WeakPolarHBondContact O-CB 3.44Å; L463-C466 PolarHBondContact O-N 3.32Å; C466-N470 WeakPolarHBondContact O-CB 3.29Å; C466-N470 PolarHBondContact O-N 3.13Å; C466-N470 VanDerWaalsContact O-N 3.11Å; C466-N470 PolarHBondContact O-ND2 3.44Å; C466-G483 PolarHBondContact SG-O 2.71Å; C466-G483 VanDerWaalsContact SG-O 3.35Å; C466-L487 HydrophobicContact CB-CD2 4.29Å; C466-I490 HydrophobicContact CB-CD1 4.06Å
467M98.3Very high95.8Very high0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-64.7-44.1176.4-70.7-54-61.400112.3I208 Y209 L463 E465 H469 F471 L487 A523 T526I208-M467 HydrophobicContact CB-CG 4.3Å; I208-M467 HydrophobicContact CD1-CE 3.81Å; I208-M467 HydrophobicContact CG1-CE 4.45Å; I208-M467 HydrophobicContact CG1-CG 4.47Å; I208-M467 WeakPolarHBondContact O-CB 3.28Å; I208-M467 WeakPolarHBondContact O-CG 3.19Å; Y209-M467 HydrophobicContact CD1-CB 4.04Å; Y209-M467 HydrophobicContact CE1-CB 4.15Å; Y209-M467 HydrophobicContact CE1-CE 4.33Å; Y209-M467 HydrophobicContact CG-CB 4.49Å; L463-M467 HydrophobicContact CD2-CG 4.44Å; L463-M467 WeakPolarHBondContact O-CG 3.23Å; L463-M467 PolarHBondContact O-N 2.97Å; E465-M467 PolarHBondContact O-N 3.45Å; M467-H469 VanDerWaalsContact C-N 3.33Å; M467-H469 PolarHBondContact O-N 3.45Å; M467-F471 HydrophobicContact CE-CB 3.68Å; M467-F471 HydrophobicContact CE-CD2 3.98Å; M467-F471 HydrophobicContact CE-CG 3.97Å; M467-F471 PolarHBondContact O-N 3Å; M467-F471 HydrophobicContact SD-CD2 3.73Å; M467-F471 HydrophobicContact SD-CE2 4.34Å; M467-F471 HydrophobicContact SD-CG 4.34Å; M467-L487 HydrophobicContact SD-CD1 3.86Å; M467-L487 HydrophobicContact SD-CD2 4.36Å; M467-A523 HydrophobicContact CG-CB 3.99Å; M467-A523 HydrophobicContact SD-CB 3.81Å; M467-T526 HydrophobicContact CE-CG2 3.6Å
468Q94.9Very high95.7Very high38 Ų3838.3 Ų38.318%0.17820%0.197CC..Hα-helixtrans-63.2-37.8-178.6-171.364.76000112.7Q210 Q464 E465 S472Q210-Q468 HydrophobicContact CB-CB 3.97Å; Q210-Q468 HydrophobicContact CB-CG 4.13Å; Q464-Q468 VanDerWaalsContact O-CB 3.27Å; Q464-Q468 WeakPolarHBondContact O-CB 3.17Å; Q464-Q468 PolarHBondContact O-N 3.3Å; E465-Q468 PolarHBondContact O-N 3.28Å; Q468-S472 WeakPolarHBondContact O-CB 3.33Å
469H93.5Very high95.5Very high136 Ų13637.7 Ų37.763%0.6319%0.192SC*.Hα-helixtrans-83.1-37.1-177.5-64150.8000113.4E465 M467E465-H469 WeakPolarHBondContact O-CB 3.27Å; E465-H469 VanDerWaalsContact O-CG 3.27Å; E465-H469 PolarHBondContact O-N 2.85Å; E465-H469 PolarHBondContact O-ND1 3.13Å; M467-H469 VanDerWaalsContact C-N 3.33Å; M467-H469 PolarHBondContact O-N 3.45Å
470N96.5Very high95.5Very high21 Ų2137.7 Ų37.711%0.11219%0.192CC..Hα-helixtrans-104.4-22.1-168.7-57.5-65.5000114C466 A479 M480 Q486C466-N470 WeakPolarHBondContact O-CB 3.29Å; C466-N470 PolarHBondContact O-N 3.13Å; C466-N470 VanDerWaalsContact O-N 3.11Å; C466-N470 PolarHBondContact O-ND2 3.44Å; N470-A479 PolarHBondContact OD1-O 3.39Å; N470-M480 WeakPolarHBondContact O-CG 3.39Å; N470-Q486 PolarHBondContact ND2-OE1 3.5Å
471F97Very high95.4Very high0 Ų037.8 Ų37.80%020%0.202CC..SBendtrans-126.528.2-171.5-60-81000113.5Y209 M467 M480 L487 A527 A530Y209-F471 PolarHBondContact OH-O 3.43Å; Y209-F471 VanDerWaalsContact OH-O 3.08Å; M467-F471 HydrophobicContact CE-CB 3.68Å; M467-F471 HydrophobicContact CE-CD2 3.98Å; M467-F471 HydrophobicContact CE-CG 3.97Å; M467-F471 PolarHBondContact O-N 3Å; M467-F471 HydrophobicContact SD-CD2 3.73Å; M467-F471 HydrophobicContact SD-CE2 4.34Å; M467-F471 HydrophobicContact SD-CG 4.34Å; F471-M480 HydrophobicContact CD1-CB 4.41Å; F471-M480 HydrophobicContact CD1-CG 3.89Å; F471-M480 HydrophobicContact CD1-SD 3.98Å; F471-M480 HydrophobicContact CE1-CB 3.72Å; F471-M480 HydrophobicContact CE1-CG 3.71Å; F471-M480 HydrophobicContact CE1-SD 4Å; F471-M480 HydrophobicContact CZ-CB 4.2Å; F471-M480 HydrophobicContact CZ-CG 4.49Å; F471-M480 VanDerWaalsContact CZ-O 3.31Å; F471-M480 WeakPolarHBondContact CZ-O 3.31Å; F471-L487 HydrophobicContact CE2-CD1 4.01Å; F471-A527 HydrophobicContact CD1-CB 4.42Å; F471-A527 HydrophobicContact CD2-CB 4.47Å; F471-A527 HydrophobicContact CE1-CB 3.7Å; F471-A527 HydrophobicContact CE2-CB 3.76Å; F471-A527 HydrophobicContact CZ-CB 3.32Å; F471-A530 HydrophobicContact CD1-CB 3.92Å; F471-A530 HydrophobicContact CE1-CB 4.11Å
472S93.2Very high95.4Very high22 Ų2238.3 Ų38.315%0.15420%0.204CC..SBendtrans-77.2-157.8-180-159.10000113.4Q468 F474 R475Q468-S472 WeakPolarHBondContact O-CB 3.33Å; S472-F474 VanDerWaalsContact C-N 3.29Å; S472-F474 PolarHBondContact O-N 3.28Å; S472-R475 PolarHBondContact O-NE 2.7Å
473V91.3Very high95.3Very high7 Ų737.2 Ų37.24%0.04220%0.195CC..SBendtrans-52.3-46.1-179176.50000112.1F241 R291 M294 P351F241-V473 HydrophobicContact CB-CG2 3.79Å; F241-V473 HydrophobicContact CD1-CG2 3.85Å; F241-V473 HydrophobicContact CD2-CG2 3.85Å; F241-V473 HydrophobicContact CE1-CG2 4.46Å; F241-V473 HydrophobicContact CE2-CG2 4.46Å; F241-V473 HydrophobicContact CG-CG2 3.53Å; R291-V473 HydrophobicContact CG-CG1 3.98Å; M294-V473 HydrophobicContact CB-CG1 4.48Å; M294-V473 HydrophobicContact CG-CB 4.06Å; M294-V473 HydrophobicContact CG-CG1 3.99Å; M294-V473 HydrophobicContact CG-CG2 4.07Å; P351-V473 HydrophobicContact CB-CG2 3.97Å
474F86.9Confident95.3Very high20 Ų2038.3 Ų38.39%0.08820%0.201CC..SBendtrans-111.1136.6178.5-76.5-56.9000110.2R291 M294 I295 S472 F543R291-F474 HydrophobicContact CB-CE1 4.2Å; R291-F474 HydrophobicContact CB-CZ 3.79Å; R291-F474 HydrophobicContact CG-CE1 3.72Å; R291-F474 HydrophobicContact CG-CZ 3.8Å; M294-F474 HydrophobicContact CB-CD2 3.8Å; M294-F474 HydrophobicContact CB-CE2 3.45Å; M294-F474 VanDerWaalsContact CB-CE2 3.45Å; I295-F474 HydrophobicContact CD1-CZ 3.99Å; I295-F474 HydrophobicContact CG1-CE2 3.93Å; I295-F474 HydrophobicContact CG1-CZ 3.65Å; S472-F474 VanDerWaalsContact C-N 3.29Å; S472-F474 PolarHBondContact O-N 3.28Å; F474-F543 HydrophobicContact CB-CD2 3.97Å; F474-F543 HydrophobicContact CB-CE2 3.48Å; F474-F543 VanDerWaalsContact CB-CE2 3.48Å; F474-F543 HydrophobicContact CD1-CD2 4.01Å; F474-F543 AromaticContact CD1-CE2 3.28Å; F474-F543 HydrophobicContact CD1-CE2 3.28Å; F474-F543 AromaticContact CD1-CZ 3.67Å; F474-F543 HydrophobicContact CD1-CZ 3.67Å; F474-F543 AromaticContact CD2-CE2 3.9Å; F474-F543 HydrophobicContact CD2-CE2 3.9Å; F474-F543 HydrophobicContact CD2-CZ 4.23Å; F474-F543 AromaticContact CE1-CE2 3.91Å; F474-F543 HydrophobicContact CE1-CE2 3.91Å; F474-F543 AromaticContact CE1-CZ 3.79Å; F474-F543 HydrophobicContact CE1-CZ 3.79Å; F474-F543 HydrophobicContact CE2-CE2 4.43Å; F474-F543 HydrophobicContact CE2-CZ 4.32Å; F474-F543 HydrophobicContact CG-CD2 4.15Å; F474-F543 AromaticContact CG-CE2 3.28Å; F474-F543 HydrophobicContact CG-CE2 3.28Å; F474-F543 AromaticContact CG-CZ 3.92Å; F474-F543 HydrophobicContact CG-CZ 3.92Å; F474-F543 HydrophobicContact CZ-CE2 4.46Å; F474-F543 HydrophobicContact CZ-CZ 4.14Å
475R91.9Very high95.3Very high2 Ų241.6 Ų41.61%0.00822%0.216CC..BIsolated β-bridgetrans-126.5145.3-174.3-62.7174-170.9-177.58.8109.8E237 S472 M480 H540 S541 R542 F543E237-R475 VanDerWaalsContact O-CZ 3.31Å; E237-R475 PolarHBondContact O-NH1 2.93Å; E237-R475 PolarHBondContact O-NH2 3.47Å; S472-R475 PolarHBondContact O-NE 2.7Å; R475-M480 HydrophobicContact CB-CE 4.24Å; R475-M480 HydrophobicContact CB-CG 4.16Å; R475-M480 HydrophobicContact CB-SD 3.63Å; R475-M480 HydrophobicContact CG-SD 3.9Å; R475-H540 PolarHBondContact NH1-CE1 2.76Å; R475-H540 PolarHBondContact NH1-ND1 3.04Å; R475-S541 WeakPolarHBondContact CB-O 3.23Å; R475-S541 PolarHBondContact N-O 3.2Å; R475-R542 CarbonylContact O-C 3.4Å; R475-R542 WeakPolarHBondContact O-CA 3.28Å; R475-F543 PolarHBondContact O-N 2.9Å
476E92.1Very high95.4Very high93 Ų9343.1 Ų43.144%0.43522%0.223SC..  trans-132.8135.5175.1-76.2170.7-147.300107.3D478 A479 M480 F543E476-D478 VanDerWaalsContact C-N 3.34Å; E476-D478 PolarHBondContact O-N 3.5Å; E476-A479 HydrophobicContact CB-CB 4.28Å; E476-A479 PolarHBondContact O-N 3.33Å; E476-A479 VanDerWaalsContact O-N 3.11Å; E476-M480 PolarHBondContact O-N 2.8Å; E476-F543 HydrophobicContact CG-CB 3.84Å; E476-F543 HydrophobicContact CG-CD2 4.26Å; E476-F543 HydrophobicContact CG-CG 4.47Å
477G93.8Very high95.4Very high11 Ų1142.9 Ų42.911%0.11322%0.222CC..Hα-helixtrans-51-49.2-174.600000113.5A479 M480 A481 D544G477-A479 PolarHBondContact O-N 3.02Å; G477-M480 PolarHBondContact O-N 3.04Å; G477-A481 WeakPolarHBondContact O-CB 3.28Å; G477-A481 PolarHBondContact O-N 3.1Å; G477-D544 VanDerWaalsContact CA-OD2 3.29Å; G477-D544 WeakPolarHBondContact CA-OD2 3.25Å; G477-D544 PolarHBondContact N-OD1 3.31Å; G477-D544 PolarHBondContact N-OD2 2.85Å; G477-D544 VanDerWaalsContact N-OD2 3.1Å
478D94.8Very high95.4Very high125 Ų12546.5 Ų46.567%0.66824%0.237SC*.Hα-helixtrans-63.5-38.8-179.6-75-4.1000113.3E476 K482E476-D478 VanDerWaalsContact C-N 3.34Å; E476-D478 PolarHBondContact O-N 3.5Å; D478-K482 WeakPolarHBondContact O-CB 3.49Å; D478-K482 WeakPolarHBondContact O-CD 3.5Å; D478-K482 VanDerWaalsContact O-CG 3.25Å; D478-K482 WeakPolarHBondContact O-CG 3.1Å; D478-K482 PolarHBondContact O-N 3.42Å; D478-K482 VanDerWaalsContact O-N 3.11Å
479A95.1Very high95.6Very high31 Ų3149 Ų4926%0.25626%0.255SS..Hα-helixtrans-69.4-43.4178.500000110.9N470 E476 G477 K482 G483N470-A479 PolarHBondContact OD1-O 3.39Å; E476-A479 HydrophobicContact CB-CB 4.28Å; E476-A479 PolarHBondContact O-N 3.33Å; E476-A479 VanDerWaalsContact O-N 3.11Å; G477-A479 PolarHBondContact O-N 3.02Å; A479-K482 PolarHBondContact O-N 2.8Å; A479-G483 PolarHBondContact O-N 2.82Å
480M97.4Very high95.8Very high0 Ų042.9 Ų42.90%023%0.227CC..Hα-helixtrans-66.2-38.7176.2-72.1-163.6-56.100112.9N470 F471 R475 E476 G477 G483 L484 A530 N531 R542N470-M480 WeakPolarHBondContact O-CG 3.39Å; F471-M480 HydrophobicContact CD1-CB 4.41Å; F471-M480 HydrophobicContact CD1-CG 3.89Å; F471-M480 HydrophobicContact CD1-SD 3.98Å; F471-M480 HydrophobicContact CE1-CB 3.72Å; F471-M480 HydrophobicContact CE1-CG 3.71Å; F471-M480 HydrophobicContact CE1-SD 4Å; F471-M480 HydrophobicContact CZ-CB 4.2Å; F471-M480 HydrophobicContact CZ-CG 4.49Å; F471-M480 VanDerWaalsContact CZ-O 3.31Å; F471-M480 WeakPolarHBondContact CZ-O 3.31Å; R475-M480 HydrophobicContact CB-CE 4.24Å; R475-M480 HydrophobicContact CB-CG 4.16Å; R475-M480 HydrophobicContact CB-SD 3.63Å; R475-M480 HydrophobicContact CG-SD 3.9Å; E476-M480 PolarHBondContact O-N 2.8Å; G477-M480 PolarHBondContact O-N 3.04Å; M480-G483 PolarHBondContact O-N 2.95Å; M480-L484 WeakPolarHBondContact O-CB 3.27Å; M480-L484 PolarHBondContact O-N 3.4Å; M480-A530 WeakPolarHBondContact CE-O 3.43Å; M480-A530 HydrophobicContact SD-CB 3.85Å; M480-N531 WeakPolarHBondContact CB-OD1 3.35Å; M480-N531 PolarHBondContact O-ND2 3.07Å; M480-N531 VanDerWaalsContact O-ND2 3.1Å; M480-R542 VanDerWaalsContact CE-NE 3.3Å
481A97.3Very high95.9Very high44 Ų4444 Ų4436%0.36423%0.229SC..Hα-helixtrans-63.4-44.9176.400000110.5G477 G483 L484 E485 N531G477-A481 WeakPolarHBondContact O-CB 3.28Å; G477-A481 PolarHBondContact O-N 3.1Å; A481-G483 VanDerWaalsContact C-N 3.35Å; A481-G483 PolarHBondContact O-N 3.19Å; A481-L484 PolarHBondContact O-N 3.16Å; A481-E485 PolarHBondContact O-N 3.31Å; A481-E485 VanDerWaalsContact O-N 3.08Å; A481-N531 WeakPolarHBondContact CA-OD1 3.37Å; A481-N531 PolarHBondContact N-OD1 2.89Å
482K97.5Very high95.9Very high132 Ų13248.7 Ų48.757%0.57425%0.252SS*.Hα-helixtrans-61.3-42.4172.9-72169.2-173.1169.40112D478 A479 L484 E485 Q486D478-K482 WeakPolarHBondContact O-CB 3.49Å; D478-K482 WeakPolarHBondContact O-CD 3.5Å; D478-K482 VanDerWaalsContact O-CG 3.25Å; D478-K482 WeakPolarHBondContact O-CG 3.1Å; D478-K482 PolarHBondContact O-N 3.42Å; D478-K482 VanDerWaalsContact O-N 3.11Å; A479-K482 PolarHBondContact O-N 2.8Å; K482-L484 VanDerWaalsContact C-N 3.33Å; K482-L484 PolarHBondContact O-N 3.29Å; K482-E485 PolarHBondContact O-N 3.16Å; K482-Q486 WeakPolarHBondContact O-CG 3.48Å; K482-Q486 PolarHBondContact O-N 2.91Å
483G98.2Very high96.2Very high0 Ų051.4 Ų51.40%026%0.258CS..Hα-helixtrans-61.1-39.9175.700000112.7C466 A479 M480 A481 Q486 L487C466-G483 PolarHBondContact SG-O 2.71Å; C466-G483 VanDerWaalsContact SG-O 3.35Å; A479-G483 PolarHBondContact O-N 2.82Å; M480-G483 PolarHBondContact O-N 2.95Å; A481-G483 VanDerWaalsContact C-N 3.35Å; A481-G483 PolarHBondContact O-N 3.19Å; G483-Q486 WeakPolarHBondContact O-CB 3.22Å; G483-Q486 PolarHBondContact O-N 3.44Å; G483-L487 WeakPolarHBondContact O-CG 3.26Å; G483-L487 PolarHBondContact O-N 2.92Å
484L98.2Very high96.5Very high22 Ų2251.4 Ų51.412%0.11526%0.258CS..Hα-helixtrans-65.2-43.8176178.259000111.8M480 A481 K482 Q486 L487 K488 Y524 A527 V528M480-L484 WeakPolarHBondContact O-CB 3.27Å; M480-L484 PolarHBondContact O-N 3.4Å; A481-L484 PolarHBondContact O-N 3.16Å; K482-L484 VanDerWaalsContact C-N 3.33Å; K482-L484 PolarHBondContact O-N 3.29Å; L484-Q486 VanDerWaalsContact C-N 3.33Å; L484-Q486 PolarHBondContact O-N 3.17Å; L484-L487 PolarHBondContact O-N 3.05Å; L484-K488 WeakPolarHBondContact O-CG 3.37Å; L484-K488 PolarHBondContact O-N 3.18Å; L484-Y524 HydrophobicContact CD1-CD2 4.05Å; L484-Y524 HydrophobicContact CD1-CE2 3.79Å; L484-A527 HydrophobicContact CD1-CB 3.92Å; L484-V528 HydrophobicContact CD1-CG2 3.72Å; L484-V528 HydrophobicContact CD2-CG2 4.39Å
485E98.4Very high96.9Very high102 Ų10255.9 Ų55.948%0.47728%0.277SS..Hα-helixtrans-63.4-38.4174.4-66.1-52.3128.400112.1A481 K482 K488 V489A481-E485 PolarHBondContact O-N 3.31Å; A481-E485 VanDerWaalsContact O-N 3.08Å; K482-E485 PolarHBondContact O-N 3.16Å; E485-K488 WeakPolarHBondContact O-CB 3.46Å; E485-K488 PolarHBondContact O-N 2.76Å; E485-K488 IonicContact OE1-NZ 3.89Å; E485-K488 PolarHBondContact OE1-NZ 3.18Å; E485-K488 IonicContact OE2-NZ 3.45Å; E485-V489 PolarHBondContact O-N 2.69Å
486Q98.5Very high97.1Very high95 Ų9560.8 Ų60.844%0.44430%0.304SS..Hα-helixtrans-61.4-43.2172.6-74.2174.2-2.100111.8N470 K482 G483 L484 K488 V489 I490N470-Q486 PolarHBondContact ND2-OE1 3.5Å; K482-Q486 WeakPolarHBondContact O-CG 3.48Å; K482-Q486 PolarHBondContact O-N 2.91Å; G483-Q486 WeakPolarHBondContact O-CB 3.22Å; G483-Q486 PolarHBondContact O-N 3.44Å; L484-Q486 VanDerWaalsContact C-N 3.33Å; L484-Q486 PolarHBondContact O-N 3.17Å; Q486-K488 VanDerWaalsContact C-N 3.34Å; Q486-K488 PolarHBondContact O-N 3.5Å; Q486-V489 PolarHBondContact O-N 3.23Å; Q486-I490 VanDerWaalsContact O-CG1 3.27Å; Q486-I490 WeakPolarHBondContact O-CG1 3.45Å; Q486-I490 PolarHBondContact O-N 3.15Å
487L98.5Very high97.3Very high0 Ų056.4 Ų56.40%028%0.283CS..Hα-helixtrans-63.4-37.3176.8-71.7168.4000112.3L463 C466 M467 F471 G483 L484 V489 I490 R491 M520 A523 A527L463-L487 HydrophobicContact CG-CD2 4.48Å; C466-L487 HydrophobicContact CB-CD2 4.29Å; M467-L487 HydrophobicContact SD-CD1 3.86Å; M467-L487 HydrophobicContact SD-CD2 4.36Å; F471-L487 HydrophobicContact CE2-CD1 4.01Å; G483-L487 WeakPolarHBondContact O-CG 3.26Å; G483-L487 PolarHBondContact O-N 2.92Å; L484-L487 PolarHBondContact O-N 3.05Å; L487-V489 VanDerWaalsContact C-N 3.33Å; L487-V489 PolarHBondContact O-N 2.77Å; L487-I490 HydrophobicContact CD2-CD1 4.46Å; L487-I490 PolarHBondContact O-N 2.77Å; L487-R491 WeakPolarHBondContact O-CB 3.34Å; L487-R491 PolarHBondContact O-N 2.9Å; L487-M520 HydrophobicContact CB-CE 4.19Å; L487-M520 HydrophobicContact CD2-CE 3.64Å; L487-M520 HydrophobicContact CG-CE 4.44Å; L487-A523 HydrophobicContact CD2-CB 4.25Å; L487-A527 HydrophobicContact CD1-CB 3.37Å
488K98.4Very high97.5Very high75 Ų7558.5 Ų58.533%0.32629%0.288SS..Hα-helixtrans-58.2-45.6173.1-70.2173.5-176.5170.40111.4L484 E485 Q486 R491 E492 Y524L484-K488 WeakPolarHBondContact O-CG 3.37Å; L484-K488 PolarHBondContact O-N 3.18Å; E485-K488 WeakPolarHBondContact O-CB 3.46Å; E485-K488 PolarHBondContact O-N 2.76Å; E485-K488 IonicContact OE1-NZ 3.89Å; E485-K488 PolarHBondContact OE1-NZ 3.18Å; E485-K488 IonicContact OE2-NZ 3.45Å; Q486-K488 VanDerWaalsContact C-N 3.34Å; Q486-K488 PolarHBondContact O-N 3.5Å; K488-R491 PolarHBondContact O-N 2.93Å; K488-E492 PolarHBondContact O-N 2.95Å; K488-E492 VanDerWaalsContact O-N 3.09Å; K488-Y524 HydrophobicContact CG-CE2 3.78Å
489V98.5Very high97.7Very high90 Ų9052.6 Ų52.655%0.54526%0.256SS..Hα-helixtrans-63.9-42.1176.8176.30000111.6E485 Q486 L487 R491 E492 R493E485-V489 PolarHBondContact O-N 2.69Å; Q486-V489 PolarHBondContact O-N 3.23Å; L487-V489 VanDerWaalsContact C-N 3.33Å; L487-V489 PolarHBondContact O-N 2.77Å; V489-R491 VanDerWaalsContact C-N 3.34Å; V489-E492 PolarHBondContact O-N 3.12Å; V489-R493 WeakPolarHBondContact O-CG 3.37Å; V489-R493 PolarHBondContact O-N 3.27Å; V489-R493 VanDerWaalsContact O-N 3.1Å
490I98.7Very high97.7Very high8 Ų854.9 Ų54.94%0.04126%0.264CS..Hα-helixtrans-64-40.2177.3-65.5163.1000110.9I459 A462 L463 C466 Q486 L487 E492 R493 L494 M520I459-I490 HydrophobicContact CG2-CG2 3.85Å; A462-I490 HydrophobicContact CB-CD1 4.13Å; A462-I490 HydrophobicContact CB-CG1 4.32Å; L463-I490 HydrophobicContact CB-CG2 4.25Å; C466-I490 HydrophobicContact CB-CD1 4.06Å; Q486-I490 VanDerWaalsContact O-CG1 3.27Å; Q486-I490 WeakPolarHBondContact O-CG1 3.45Å; Q486-I490 PolarHBondContact O-N 3.15Å; L487-I490 HydrophobicContact CD2-CD1 4.46Å; L487-I490 PolarHBondContact O-N 2.77Å; I490-E492 PolarHBondContact O-N 3.26Å; I490-R493 WeakPolarHBondContact O-CB 3.15Å; I490-R493 PolarHBondContact O-N 2.95Å; I490-L494 PolarHBondContact O-N 3.32Å; I490-M520 HydrophobicContact CB-SD 4.36Å; I490-M520 HydrophobicContact CG2-SD 3.83Å
491R98.1Very high97.7Very high44 Ų4457.8 Ų57.817%0.16628%0.28CS..Hα-helixtrans-63.6-40177.9-168.1171-177.8-142.31.4112L487 K488 V489 L494 K495 M520 E521 E564L487-R491 WeakPolarHBondContact O-CB 3.34Å; L487-R491 PolarHBondContact O-N 2.9Å; K488-R491 PolarHBondContact O-N 2.93Å; V489-R491 VanDerWaalsContact C-N 3.34Å; R491-L494 PolarHBondContact O-N 3Å; R491-K495 PolarHBondContact O-N 3.08Å; R491-M520 HydrophobicContact CB-CG 3.96Å; R491-M520 HydrophobicContact CB-SD 3.85Å; R491-M520 HydrophobicContact CG-CG 3.79Å; R491-M520 HydrophobicContact CG-SD 4.37Å; R491-E521 IonicContact CZ-OE1 3.9Å; R491-E521 IonicContact CZ-OE2 3.27Å; R491-E521 IonicContact NE-OE1 3.07Å; R491-E521 PolarHBondContact NE-OE1 3.06Å; R491-E521 IonicContact NE-OE2 3.5Å; R491-E521 VanDerWaalsContact NH2-CD 3.34Å; R491-E521 IonicContact NH2-OE1 3.45Å; R491-E521 PolarHBondContact NH2-OE1 2.9Å; R491-E521 IonicContact NH2-OE2 2.97Å; R491-E521 PolarHBondContact NH2-OE2 3.16Å; R491-E564 IonicContact CZ-OE1 2.78Å; R491-E564 IonicContact NH1-OE1 2.71Å; R491-E564 PolarHBondContact NH1-OE1 3.21Å; R491-E564 IonicContact NH1-OE2 3.69Å; R491-E564 PolarHBondContact NH1-OE2 2.8Å; R491-E564 IonicContact NH2-OE1 3.5Å; R491-E564 PolarHBondContact NH2-OE1 3.49Å
492E97.8Very high97.6Very high100 Ų10060 Ų6047%0.46729%0.289SS..Hα-helixtrans-66.9-37.6173.2-68.1-51.1125.500113K488 V489 I490 L494 K495K488-E492 PolarHBondContact O-N 2.95Å; K488-E492 VanDerWaalsContact O-N 3.09Å; V489-E492 PolarHBondContact O-N 3.12Å; I490-E492 PolarHBondContact O-N 3.26Å; E492-L494 VanDerWaalsContact C-N 3.31Å; E492-L494 PolarHBondContact O-N 3.49Å; E492-K495 PolarHBondContact O-N 3.44Å; E492-K495 WeakPolarHBondContact OE1-CE 3.1Å; E492-K495 IonicContact OE1-NZ 3.1Å; E492-K495 PolarHBondContact OE1-NZ 3.41Å; E492-K495 WeakPolarHBondContact OE2-CD 3.38Å; E492-K495 IonicContact OE2-NZ 3.17Å; E492-K495 PolarHBondContact OE2-NZ 3.37Å
493R97.8Very high97.5Very high78 Ų7855.7 Ų55.729%0.29428%0.275SS..Hα-helixtrans-60-42.3173.7-73.2162.760.8-160.71.3111.4E454 I459 V489 I490 K495 N496 A497E454-R493 IonicContact OE1-CZ 3.72Å; E454-R493 IonicContact OE1-NE 2.78Å; E454-R493 PolarHBondContact OE1-NE 2.78Å; E454-R493 IonicContact OE1-NH2 3.79Å; E454-R493 PolarHBondContact OE1-NH2 3.47Å; E454-R493 IonicContact OE2-CZ 2.72Å; E454-R493 IonicContact OE2-NE 3.17Å; E454-R493 PolarHBondContact OE2-NE 2.95Å; E454-R493 IonicContact OE2-NH2 4Å; I459-R493 HydrophobicContact CD1-CB 4.35Å; V489-R493 WeakPolarHBondContact O-CG 3.37Å; V489-R493 PolarHBondContact O-N 3.27Å; V489-R493 VanDerWaalsContact O-N 3.1Å; I490-R493 WeakPolarHBondContact O-CB 3.15Å; I490-R493 PolarHBondContact O-N 2.95Å; R493-K495 VanDerWaalsContact C-N 3.28Å; R493-K495 PolarHBondContact O-N 3.09Å; R493-N496 PolarHBondContact O-N 2.94Å; R493-N496 VanDerWaalsContact O-N 3.12Å; R493-A497 PolarHBondContact O-N 2.9Å
494L98.3Very high97.4Very high7 Ų758.3 Ų58.34%0.03729%0.294CS..Hα-helixtrans-60.6-33.1-179.8-177.556.4000113.7R446 W447 I459 I490 R491 E492 N496 A497 L516 D517 M520R446-L494 PolarHBondContact NH1-O 3.34Å; W447-L494 HydrophobicContact CH2-CD1 3.96Å; W447-L494 HydrophobicContact CZ2-CD1 3.89Å; I459-L494 HydrophobicContact CD1-CD1 4.46Å; I459-L494 HydrophobicContact CG2-CB 4.2Å; I459-L494 HydrophobicContact CG2-CD1 4.31Å; I490-L494 PolarHBondContact O-N 3.32Å; R491-L494 PolarHBondContact O-N 3Å; E492-L494 VanDerWaalsContact C-N 3.31Å; E492-L494 PolarHBondContact O-N 3.49Å; L494-N496 PolarHBondContact O-N 2.97Å; L494-A497 HydrophobicContact CD1-CB 4.15Å; L494-A497 WeakPolarHBondContact O-CB 3.44Å; L494-A497 PolarHBondContact O-N 3.46Å; L494-A497 VanDerWaalsContact O-N 3.15Å; L494-L516 HydrophobicContact CD1-CD2 3.53Å; L494-L516 HydrophobicContact CD1-CG 3.72Å; L494-L516 HydrophobicContact CD2-CG 4.17Å; L494-D517 WeakPolarHBondContact CD2-OD1 3.3Å; L494-M520 HydrophobicContact CD2-CB 3.6Å; L494-M520 HydrophobicContact CD2-CG 3.84Å
495K96.4Very high97.3Very high114 Ų11462.7 Ų62.750%0.49631%0.314SS..Hα-helixtrans-58.2-33.1177-67177.3-177.7169.90112.4R446 R491 E492 R493R446-K495 PolarHBondContact NH1-O 2.99Å; R491-K495 PolarHBondContact O-N 3.08Å; E492-K495 PolarHBondContact O-N 3.44Å; E492-K495 WeakPolarHBondContact OE1-CE 3.1Å; E492-K495 IonicContact OE1-NZ 3.1Å; E492-K495 PolarHBondContact OE1-NZ 3.41Å; E492-K495 WeakPolarHBondContact OE2-CD 3.38Å; E492-K495 IonicContact OE2-NZ 3.17Å; E492-K495 PolarHBondContact OE2-NZ 3.37Å; R493-K495 VanDerWaalsContact C-N 3.28Å; R493-K495 PolarHBondContact O-N 3.09Å
496N94.7Very high97.2Very high106 Ų10662.7 Ų62.757%0.56731%0.312SS*.THydrogen-bonded Turntrans-101.712.3-178.1-59.6-61000113.5N450 G453 E454 R493 L494N450-N496 PolarHBondContact ND2-O 3.39Å; G453-N496 WeakPolarHBondContact CA-O 3.33Å; E454-N496 PolarHBondContact N-O 3.06Å; R493-N496 PolarHBondContact O-N 2.94Å; R493-N496 VanDerWaalsContact O-N 3.12Å; L494-N496 PolarHBondContact O-N 2.97Å
497A97.8Very high97.2Very high0 Ų058.4 Ų58.40%029%0.292CS..BIsolated β-bridgetrans-70.8148.4178.100000111.8W447 N450 E454 I459 R493 L494W447-A497 HydrophobicContact CH2-CB 3.46Å; W447-A497 VanDerWaalsContact CH2-CB 3.46Å; W447-A497 HydrophobicContact CZ3-CB 3.68Å; N450-A497 PolarHBondContact ND2-O 3.01Å; E454-A497 WeakPolarHBondContact O-CA 3.16Å; I459-A497 HydrophobicContact CD1-CB 3.71Å; R493-A497 PolarHBondContact O-N 2.9Å; L494-A497 HydrophobicContact CD1-CB 4.15Å; L494-A497 WeakPolarHBondContact O-CB 3.44Å; L494-A497 PolarHBondContact O-N 3.46Å; L494-A497 VanDerWaalsContact O-N 3.15Å
498R97.4Very high97.2Very high56 Ų5662.4 Ų62.421%0.21132%0.317CS..  trans-100.7153.8-178.671.6-177.1-168.3-74.1-20.3112.7G453 E454 P456 D500G453-R498 PolarHBondContact O-NH1 2.9Å; E454-R498 PolarHBondContact O-N 2.98Å; E454-R498 VanDerWaalsContact O-N 3.12Å; P456-R498 WeakPolarHBondContact CD-O 3.26Å; R498-D500 WeakPolarHBondContact CD-OD1 3.34Å; R498-D500 IonicContact CZ-OD1 2.75Å; R498-D500 IonicContact CZ-OD2 2.85Å; R498-D500 IonicContact NE-OD1 3.15Å; R498-D500 PolarHBondContact NE-OD1 3.27Å; R498-D500 IonicContact NE-OD2 3.48Å; R498-D500 PolarHBondContact NE-OD2 3.4Å; R498-D500 IonicContact NH2-OD1 3.8Å; R498-D500 IonicContact NH2-OD2 3.95Å; R498-D500 PolarHBondContact NH2-OD2 2.78Å; R498-D500 VanDerWaalsContact NH2-OD2 3.12Å
499L98Very high97.1Very high0 Ų060.8 Ų60.80%031%0.311CS..  trans-107.5121.8165.2177.965000108.6W447 N450 R451 D501 Q509 R510W447-L499 HydrophobicContact CB-CD2 4.35Å; W447-L499 HydrophobicContact CE3-CB 4.12Å; W447-L499 WeakPolarHBondContact O-CB 3.41Å; N450-L499 PolarHBondContact O-N 3.25Å; N450-L499 VanDerWaalsContact O-N 3.12Å; R451-L499 WeakPolarHBondContact CD-O 3.38Å; L499-D501 WeakPolarHBondContact CG-O 3.48Å; L499-Q509 HydrophobicContact CD1-CB 4.04Å; L499-Q509 HydrophobicContact CD1-CG 3.8Å; L499-R510 HydrophobicContact CD1-CB 4.28Å; L499-R510 HydrophobicContact CD2-CB 4.16Å; L499-R510 HydrophobicContact CD2-CG 4.34Å
500D96.8Very high97.1Very high80 Ų8057.4 Ų57.443%0.42829%0.288SS..  trans-88.3-44.2-175.6-65.8-50.2000111.9R498 T502 Q509R498-D500 WeakPolarHBondContact CD-OD1 3.34Å; R498-D500 IonicContact CZ-OD1 2.75Å; R498-D500 IonicContact CZ-OD2 2.85Å; R498-D500 IonicContact NE-OD1 3.15Å; R498-D500 PolarHBondContact NE-OD1 3.27Å; R498-D500 IonicContact NE-OD2 3.48Å; R498-D500 PolarHBondContact NE-OD2 3.4Å; R498-D500 IonicContact NH2-OD1 3.8Å; R498-D500 IonicContact NH2-OD2 3.95Å; R498-D500 PolarHBondContact NH2-OD2 2.78Å; R498-D500 VanDerWaalsContact NH2-OD2 3.12Å; D500-T502 PolarHBondContact O-N 3.38Å; D500-Q509 VanDerWaalsContact N-OE1 3.14Å
501D97.1Very high97.1Very high60 Ų6057.8 Ų57.832%0.32129%0.291SS..  trans-78118.5178.3-173.3-6.9000110.7L499 S503 N507 Q509L499-D501 WeakPolarHBondContact CG-O 3.48Å; D501-S503 VanDerWaalsContact CG-OG 3.24Å; D501-S503 VanDerWaalsContact OD1-CB 3.22Å; D501-S503 WeakPolarHBondContact OD1-CB 3.37Å; D501-S503 PolarHBondContact OD1-N 2.94Å; D501-S503 PolarHBondContact OD1-OG 3.01Å; D501-S503 PolarHBondContact OD2-OG 2.78Å; D501-N507 PolarHBondContact O-ND2 2.82Å; D501-Q509 HydrophobicContact CB-CB 4.18Å
502T94.1Very high97.1Very high92 Ų9260.1 Ų60.156%0.56430%0.303SS*.  trans-101.43.4-179.664.50000114R451 D500R451-T502 VanDerWaalsContact NE-CG2 3.28Å; D500-T502 PolarHBondContact O-N 3.38Å
503S96.6Very high97.1Very high40 Ų4055.4 Ų55.428%0.2828%0.281SS..  trans-61.2152.8178.562.20000112.1D501 N507 R510D501-S503 VanDerWaalsContact CG-OG 3.24Å; D501-S503 VanDerWaalsContact OD1-CB 3.22Å; D501-S503 WeakPolarHBondContact OD1-CB 3.37Å; D501-S503 PolarHBondContact OD1-N 2.94Å; D501-S503 PolarHBondContact OD1-OG 3.01Å; D501-S503 PolarHBondContact OD2-OG 2.78Å; S503-N507 WeakPolarHBondContact O-CB 3.39Å; S503-N507 PolarHBondContact O-ND2 3.28Å; S503-N507 PolarHBondContact OG-ND2 3Å; S503-R510 VanDerWaalsContact O-CZ 3.3Å; S503-R510 PolarHBondContact O-NH1 3.33Å; S503-R510 PolarHBondContact O-NH2 2.68Å
504S94.5Very high97.2Very high56 Ų5651.7 Ų51.739%0.39227%0.267SS..SBendtrans-82.8-53.9174.319.80000111R510S504-R510 PolarHBondContact O-NH1 2.99Å
505E96.5Very high97.2Very high113 Ų11352.1 Ų52.153%0.52827%0.269SS..THydrogen-bonded Turntrans-79.1131.4-170.9-57.488.8161.500111.3E186 N507E186-E505 WeakPolarHBondContact O-CA 3.24Å; E186-E505 WeakPolarHBondContact O-CB 3.45Å; E505-N507 PolarHBondContact O-N 3.06Å
506F97.6Very high97.3Very high103 Ų10346.7 Ų46.745%0.45225%0.246SC..THydrogen-bonded Turntrans47.733.3176.6-80.8-76.9000114.9I185 E186 T508I185-F506 HydrophobicContact CG2-CD1 3.86Å; I185-F506 HydrophobicContact CG2-CE1 4.17Å; I185-F506 WeakPolarHBondContact O-CA 3.42Å; I185-F506 PolarHBondContact O-N 3.24Å; E186-F506 HydrophobicContact CB-CE2 3.9Å; E186-F506 HydrophobicContact CB-CZ 4.08Å; E186-F506 HydrophobicContact CG-CE2 3.84Å; E186-F506 HydrophobicContact CG-CZ 4.36Å; F506-T508 VanDerWaalsContact C-N 3.27Å; F506-T508 PolarHBondContact O-N 3.33Å
507N97.9Very high97.5Very high5 Ų542.4 Ų42.43%0.02722%0.223CC..  trans-72.884.8176.8-170.4-33.3000110.3D501 S503 E505 Q509 R510 V511D501-N507 PolarHBondContact O-ND2 2.82Å; S503-N507 WeakPolarHBondContact O-CB 3.39Å; S503-N507 PolarHBondContact O-ND2 3.28Å; S503-N507 PolarHBondContact OG-ND2 3Å; E505-N507 PolarHBondContact O-N 3.06Å; N507-Q509 VanDerWaalsContact C-N 3.3Å; N507-Q509 PolarHBondContact O-N 2.99Å; N507-Q509 PolarHBondContact OD1-N 3.3Å; N507-R510 HydrophobicContact CB-CB 4.13Å; N507-R510 PolarHBondContact ND2-NH2 2.86Å; N507-R510 WeakPolarHBondContact O-CB 3.38Å; N507-R510 PolarHBondContact O-N 3.38Å; N507-R510 WeakPolarHBondContact OD1-CB 3.49Å; N507-R510 PolarHBondContact OD1-N 2.83Å; N507-V511 PolarHBondContact O-N 3.36Å
508T97.3Very high97.6Very high84 Ų8442.4 Ų42.452%0.51522%0.223SC..Hα-helixtrans-65.7-33.118050.10000111.9F506 R510 V511 E512F506-T508 VanDerWaalsContact C-N 3.27Å; F506-T508 PolarHBondContact O-N 3.33Å; T508-R510 VanDerWaalsContact C-N 3.32Å; T508-R510 PolarHBondContact O-N 3.28Å; T508-V511 PolarHBondContact O-N 3.36Å; T508-E512 WeakPolarHBondContact O-CB 3.36Å; T508-E512 WeakPolarHBondContact O-CG 3.49Å; T508-E512 PolarHBondContact O-N 2.79Å
509Q97.9Very high97.6Very high41 Ų4139.7 Ų39.719%0.19221%0.213CC..Hα-helixtrans-60.9-42.5175.5-165.1-174.12700111.1L499 D500 D501 N507 E512 C513L499-Q509 HydrophobicContact CD1-CB 4.04Å; L499-Q509 HydrophobicContact CD1-CG 3.8Å; D500-Q509 VanDerWaalsContact N-OE1 3.14Å; D501-Q509 HydrophobicContact CB-CB 4.18Å; N507-Q509 VanDerWaalsContact C-N 3.3Å; N507-Q509 PolarHBondContact O-N 2.99Å; N507-Q509 PolarHBondContact OD1-N 3.3Å; Q509-E512 PolarHBondContact O-N 3.25Å; Q509-C513 WeakPolarHBondContact O-CB 3.26Å; Q509-C513 PolarHBondContact O-N 2.68Å; Q509-C513 PolarHBondContact O-SG 2.72Å
510R98Very high97.7Very high18 Ų1839.8 Ų39.87%0.06821%0.213CC..Hα-helixtrans-59.6-48.2175.2179.8-172-68.9119.69.9111.1L444 N448 L499 S503 S504 N507 T508 C513 L514L444-R510 HydrophobicContact CD1-CG 4.3Å; N448-R510 PolarHBondContact OD1-NE 2.98Å; L499-R510 HydrophobicContact CD1-CB 4.28Å; L499-R510 HydrophobicContact CD2-CB 4.16Å; L499-R510 HydrophobicContact CD2-CG 4.34Å; S503-R510 VanDerWaalsContact O-CZ 3.3Å; S503-R510 PolarHBondContact O-NH1 3.33Å; S503-R510 PolarHBondContact O-NH2 2.68Å; S504-R510 PolarHBondContact O-NH1 2.99Å; N507-R510 HydrophobicContact CB-CB 4.13Å; N507-R510 PolarHBondContact ND2-NH2 2.86Å; N507-R510 WeakPolarHBondContact O-CB 3.38Å; N507-R510 PolarHBondContact O-N 3.38Å; N507-R510 WeakPolarHBondContact OD1-CB 3.49Å; N507-R510 PolarHBondContact OD1-N 2.83Å; T508-R510 VanDerWaalsContact C-N 3.32Å; T508-R510 PolarHBondContact O-N 3.28Å; R510-C513 PolarHBondContact O-N 3.49Å; R510-L514 HydrophobicContact CG-CD1 4.27Å; R510-L514 WeakPolarHBondContact O-CG 3.3Å; R510-L514 PolarHBondContact O-N 2.86Å
511V98.4Very high97.7Very high17 Ų1737.2 Ų37.210%0.10320%0.199CC..Hα-helixtrans-59.8-47.9178.1175.80000110.4Y165 I185 N507 T508 C513 L514 E515Y165-V511 HydrophobicContact CD2-CG1 3.73Å; Y165-V511 HydrophobicContact CE2-CG1 3.93Å; Y165-V511 HydrophobicContact CG-CG1 4.43Å; I185-V511 HydrophobicContact CD1-CG2 4.47Å; I185-V511 HydrophobicContact CG1-CG2 4.27Å; N507-V511 PolarHBondContact O-N 3.36Å; T508-V511 PolarHBondContact O-N 3.36Å; V511-C513 VanDerWaalsContact C-N 3.3Å; V511-C513 PolarHBondContact O-N 2.97Å; V511-L514 WeakPolarHBondContact O-CB 3.46Å; V511-L514 PolarHBondContact O-N 3.06Å; V511-L514 VanDerWaalsContact O-N 3.17Å; V511-E515 HydrophobicContact CG1-CG 4.45Å; V511-E515 WeakPolarHBondContact O-CG 3.46Å; V511-E515 PolarHBondContact O-N 2.81Å
512E98.5Very high97.8Very high92 Ų9234.4 Ų34.443%0.4318%0.183SC..Hα-helixtrans-63.9-33.1178.2-73-177.2-15900112.9R460 T508 Q509 E515 L516R460-E512 PolarHBondContact NH2-O 3.08Å; T508-E512 WeakPolarHBondContact O-CB 3.36Å; T508-E512 WeakPolarHBondContact O-CG 3.49Å; T508-E512 PolarHBondContact O-N 2.79Å; Q509-E512 PolarHBondContact O-N 3.25Å; E512-E515 PolarHBondContact O-N 2.87Å; E512-L516 WeakPolarHBondContact O-CB 3.19Å; E512-L516 PolarHBondContact O-N 3.13Å
513C98.5Very high98Very high1 Ų130 Ų301%0.00716%0.156CC..Hα-helixtrans-67.3-41.3174.1-71.40000111.6W447 Q509 R510 V511 L516 D517W447-C513 HydrophobicContact CD2-CB 3.64Å; W447-C513 HydrophobicContact CE3-CB 3.85Å; W447-C513 HydrophobicContact CG-CB 4.22Å; W447-C513 HydrophobicContact CH2-CB 3.83Å; W447-C513 HydrophobicContact CZ2-CB 3.65Å; W447-C513 WeakPolarHBondContact CZ2-O 3.35Å; W447-C513 HydrophobicContact CZ3-CB 3.94Å; W447-C513 PolarHBondContact NE1-O 2.97Å; Q509-C513 WeakPolarHBondContact O-CB 3.26Å; Q509-C513 PolarHBondContact O-N 2.68Å; Q509-C513 PolarHBondContact O-SG 2.72Å; R510-C513 PolarHBondContact O-N 3.49Å; V511-C513 VanDerWaalsContact C-N 3.3Å; V511-C513 PolarHBondContact O-N 2.97Å; C513-L516 WeakPolarHBondContact O-CB 3.42Å; C513-L516 PolarHBondContact O-N 3.1Å; C513-D517 PolarHBondContact O-N 3.06Å
514L98.6Very high98.1Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-64.8-39.5173.1-67.3166.1000111.7Y165 L167 R443 L444 R510 V511 L516 D517 N518Y165-L514 HydrophobicContact CD1-CD1 4.15Å; Y165-L514 HydrophobicContact CE1-CB 3.82Å; Y165-L514 HydrophobicContact CE1-CD1 3.92Å; Y165-L514 HydrophobicContact CE1-CG 4.47Å; L167-L514 HydrophobicContact CD2-CD1 3.79Å; R443-L514 HydrophobicContact CG-CD2 3.92Å; R443-L514 PolarHBondContact NH1-O 3.35Å; L444-L514 HydrophobicContact CD1-CD1 4.45Å; R510-L514 HydrophobicContact CG-CD1 4.27Å; R510-L514 WeakPolarHBondContact O-CG 3.3Å; R510-L514 PolarHBondContact O-N 2.86Å; V511-L514 WeakPolarHBondContact O-CB 3.46Å; V511-L514 PolarHBondContact O-N 3.06Å; V511-L514 VanDerWaalsContact O-N 3.17Å; L514-L516 VanDerWaalsContact C-N 3.3Å; L514-L516 PolarHBondContact O-N 3.41Å; L514-D517 PolarHBondContact O-N 3.2Å; L514-N518 PolarHBondContact O-N 2.83Å; L514-N518 PolarHBondContact O-ND2 2.78Å
515E98.8Very high98.3Very high16 Ų1626.2 Ų26.28%0.07513%0.127CC..Hα-helixtrans-63.7-35.2173.5-71.4178.9157.200112.3K38 Y165 T219 V511 E512 D517 N518 L519K38-E515 IonicContact NZ-OE1 3.64Å; K38-E515 PolarHBondContact NZ-OE1 3.39Å; Y165-E515 HydrophobicContact CE2-CG 3.94Å; T219-E515 HydrophobicContact CG2-CB 3.92Å; T219-E515 HydrophobicContact CG2-CG 4.03Å; V511-E515 HydrophobicContact CG1-CG 4.45Å; V511-E515 WeakPolarHBondContact O-CG 3.46Å; V511-E515 PolarHBondContact O-N 2.81Å; E512-E515 PolarHBondContact O-N 2.87Å; E515-D517 VanDerWaalsContact C-N 3.32Å; E515-D517 PolarHBondContact O-N 3.38Å; E515-N518 WeakPolarHBondContact O-CB 3.4Å; E515-N518 PolarHBondContact O-N 3.01Å; E515-N518 VanDerWaalsContact O-N 3.14Å; E515-L519 WeakPolarHBondContact O-CG 3.19Å; E515-L519 PolarHBondContact O-N 3.13Å
516L98.8Very high98.4Very high1 Ų120.8 Ų20.81%0.00510%0.102CC..Hα-helixtrans-63.6-38.6177.5-179.656.4000111.9P456 I459 R460 L494 E512 C513 L514 N518 L519 M520P456-L516 HydrophobicContact CB-CD2 3.8Å; P456-L516 WeakPolarHBondContact O-CD2 3.36Å; I459-L516 HydrophobicContact CB-CD2 4.21Å; I459-L516 HydrophobicContact CG2-CD2 4.18Å; R460-L516 HydrophobicContact CB-CD1 3.78Å; R460-L516 HydrophobicContact CB-CD2 4.44Å; R460-L516 HydrophobicContact CG-CD1 4.21Å; L494-L516 HydrophobicContact CD1-CD2 3.53Å; L494-L516 HydrophobicContact CD1-CG 3.72Å; L494-L516 HydrophobicContact CD2-CG 4.17Å; E512-L516 WeakPolarHBondContact O-CB 3.19Å; E512-L516 PolarHBondContact O-N 3.13Å; C513-L516 WeakPolarHBondContact O-CB 3.42Å; C513-L516 PolarHBondContact O-N 3.1Å; L514-L516 VanDerWaalsContact C-N 3.3Å; L514-L516 PolarHBondContact O-N 3.41Å; L516-N518 VanDerWaalsContact C-N 3.29Å; L516-N518 PolarHBondContact O-N 3.47Å; L516-L519 PolarHBondContact O-N 2.93Å; L516-M520 WeakPolarHBondContact O-CB 3.49Å; L516-M520 PolarHBondContact O-N 3.06Å
517D98.7Very high98.5Very high15 Ų1515.9 Ų15.98%0.088%0.081CC..Hα-helixtrans-59.8-41.9172.3-66.3-26000111.2R443 R446 W447 L494 C513 L514 E515 M520 E521R443-D517 WeakPolarHBondContact CD-OD2 3.48Å; R443-D517 WeakPolarHBondContact CG-OD2 3.36Å; R446-D517 IonicContact CZ-OD1 3.64Å; R446-D517 IonicContact NH2-OD1 2.79Å; R446-D517 PolarHBondContact NH2-OD1 2.98Å; R446-D517 IonicContact NH2-OD2 3.65Å; R446-D517 PolarHBondContact NH2-OD2 2.87Å; W447-D517 PolarHBondContact NE1-OD2 3.23Å; L494-D517 WeakPolarHBondContact CD2-OD1 3.3Å; C513-D517 PolarHBondContact O-N 3.06Å; L514-D517 PolarHBondContact O-N 3.2Å; E515-D517 VanDerWaalsContact C-N 3.32Å; E515-D517 PolarHBondContact O-N 3.38Å; D517-M520 PolarHBondContact O-N 2.81Å; D517-E521 PolarHBondContact O-N 3.4Å; D517-E521 VanDerWaalsContact O-N 3.16Å
518N98.8Very high98.5Very high0 Ų016.6 Ų16.60%09%0.085CC..Hα-helixtrans-68.2-41.2178.8-60.7-32.9000112.5Y165 T219 D221 R228 R443 L514 E515 L516 M520 E521 T522Y165-N518 PolarHBondContact OH-ND2 2.82Å; T219-N518 WeakPolarHBondContact O-CB 3.32Å; D221-N518 WeakPolarHBondContact CA-ND2 3.44Å; D221-N518 PolarHBondContact OD1-ND2 3.22Å; R228-N518 PolarHBondContact NH1-OD1 3.39Å; R228-N518 PolarHBondContact NH2-OD1 3.31Å; R443-N518 PolarHBondContact NH1-OD1 2.85Å; L514-N518 PolarHBondContact O-N 2.83Å; L514-N518 PolarHBondContact O-ND2 2.78Å; E515-N518 WeakPolarHBondContact O-CB 3.4Å; E515-N518 PolarHBondContact O-N 3.01Å; E515-N518 VanDerWaalsContact O-N 3.14Å; L516-N518 VanDerWaalsContact C-N 3.29Å; L516-N518 PolarHBondContact O-N 3.47Å; N518-M520 VanDerWaalsContact C-N 3.29Å; N518-M520 PolarHBondContact O-N 2.76Å; N518-E521 PolarHBondContact O-N 3.44Å; N518-T522 WeakPolarHBondContact O-CB 3.34Å; N518-T522 PolarHBondContact O-N 3.32Å; N518-T522 PolarHBondContact O-OG1 3.04Å
519L98.9Very high98.6Very high0 Ų012.6 Ų12.60%06%0.06CC..Hα-helixtrans-60.8-41174.5-74.3172.5000111.3R207 I208 T219 L463 E515 L516 T522 A523R207-L519 HydrophobicContact CB-CD2 3.93Å; I208-L519 HydrophobicContact CB-CD2 4.43Å; I208-L519 HydrophobicContact CG2-CB 4.25Å; I208-L519 HydrophobicContact CG2-CD2 3.54Å; I208-L519 WeakPolarHBondContact CG2-O 3.45Å; T219-L519 HydrophobicContact CG2-CD1 4.29Å; T219-L519 HydrophobicContact CG2-CD2 4.44Å; T219-L519 HydrophobicContact CG2-CG 4.38Å; L463-L519 HydrophobicContact CD1-CB 4.32Å; E515-L519 WeakPolarHBondContact O-CG 3.19Å; E515-L519 PolarHBondContact O-N 3.13Å; L516-L519 PolarHBondContact O-N 2.93Å; L519-T522 PolarHBondContact O-N 3.13Å; L519-A523 VanDerWaalsContact O-CB 3.25Å; L519-A523 WeakPolarHBondContact O-CB 3.4Å; L519-A523 PolarHBondContact O-N 3.15Å
520M98.8Very high98.6Very high1 Ų110.6 Ų10.61%0.0055%0.051CC..Hα-helixtrans-63.3-48.6179.4-171.669.5-88.600111.9L463 L487 I490 R491 L494 L516 D517 N518 T522 A523 Y524L463-M520 HydrophobicContact CD1-CB 4.09Å; L463-M520 HydrophobicContact CD1-CE 3.8Å; L463-M520 HydrophobicContact CD1-SD 3.8Å; L463-M520 HydrophobicContact CG-CE 4.46Å; L487-M520 HydrophobicContact CB-CE 4.19Å; L487-M520 HydrophobicContact CD2-CE 3.64Å; L487-M520 HydrophobicContact CG-CE 4.44Å; I490-M520 HydrophobicContact CB-SD 4.36Å; I490-M520 HydrophobicContact CG2-SD 3.83Å; R491-M520 HydrophobicContact CB-CG 3.96Å; R491-M520 HydrophobicContact CB-SD 3.85Å; R491-M520 HydrophobicContact CG-CG 3.79Å; R491-M520 HydrophobicContact CG-SD 4.37Å; L494-M520 HydrophobicContact CD2-CB 3.6Å; L494-M520 HydrophobicContact CD2-CG 3.84Å; L516-M520 WeakPolarHBondContact O-CB 3.49Å; L516-M520 PolarHBondContact O-N 3.06Å; D517-M520 PolarHBondContact O-N 2.81Å; N518-M520 VanDerWaalsContact C-N 3.29Å; N518-M520 PolarHBondContact O-N 2.76Å; M520-T522 VanDerWaalsContact C-N 3.34Å; M520-T522 PolarHBondContact O-N 3.08Å; M520-A523 HydrophobicContact CE-CB 4.16Å; M520-A523 PolarHBondContact O-N 2.92Å; M520-Y524 WeakPolarHBondContact O-CB 3.38Å; M520-Y524 PolarHBondContact O-N 3.44Å
521E98.4Very high98.6Very high27 Ų2711.4 Ų11.413%0.1266%0.057CC..Hα-helixtrans-63.9-39.5177.6-64.7-54.1136.100111.9I227 R491 D517 N518 Y524 A525I227-E521 HydrophobicContact CD1-CB 3.96Å; I227-E521 HydrophobicContact CG2-CB 4.24Å; I227-E521 HydrophobicContact CG2-CG 4.29Å; R491-E521 IonicContact CZ-OE1 3.9Å; R491-E521 IonicContact CZ-OE2 3.27Å; R491-E521 IonicContact NE-OE1 3.07Å; R491-E521 PolarHBondContact NE-OE1 3.06Å; R491-E521 IonicContact NE-OE2 3.5Å; R491-E521 VanDerWaalsContact NH2-CD 3.34Å; R491-E521 IonicContact NH2-OE1 3.45Å; R491-E521 PolarHBondContact NH2-OE1 2.9Å; R491-E521 IonicContact NH2-OE2 2.97Å; R491-E521 PolarHBondContact NH2-OE2 3.16Å; D517-E521 PolarHBondContact O-N 3.4Å; D517-E521 VanDerWaalsContact O-N 3.16Å; N518-E521 PolarHBondContact O-N 3.44Å; E521-Y524 PolarHBondContact O-N 2.98Å; E521-A525 WeakPolarHBondContact O-CB 3.28Å; E521-A525 PolarHBondContact O-N 3.09Å
522T98.8Very high98.5Very high0 Ų013.7 Ų13.70%07%0.065CC..Hα-helixtrans-64.1-45.1176.1-52.60000111.8A205 I208 V223 M236 W239 M356 N518 L519 M520 T526A205-T522 HydrophobicContact CB-CG2 3.33Å; I208-T522 HydrophobicContact CD1-CG2 4.28Å; I208-T522 HydrophobicContact CG2-CG2 4.13Å; V223-T522 HydrophobicContact CG1-CG2 4.24Å; V223-T522 WeakPolarHBondContact CG1-OG1 3.45Å; M236-T522 HydrophobicContact CE-CG2 3.76Å; W239-T522 HydrophobicContact CZ2-CG2 4.22Å; M356-T522 HydrophobicContact SD-CG2 4.5Å; N518-T522 WeakPolarHBondContact O-CB 3.34Å; N518-T522 PolarHBondContact O-N 3.32Å; N518-T522 PolarHBondContact O-OG1 3.04Å; L519-T522 PolarHBondContact O-N 3.13Å; M520-T522 VanDerWaalsContact C-N 3.34Å; M520-T522 PolarHBondContact O-N 3.08Å; T522-T526 WeakPolarHBondContact O-CB 3.19Å; T522-T526 PolarHBondContact O-N 3.06Å; T522-T526 PolarHBondContact O-OG1 2.92Å
523A98.8Very high98.5Very high0 Ų09.3 Ų9.30%05%0.045CC..Hα-helixtrans-65-41.5178.900000111.6I208 L463 M467 L487 L519 M520 T526 A527I208-A523 HydrophobicContact CB-CB 4.25Å; I208-A523 HydrophobicContact CG2-CB 4.14Å; L463-A523 HydrophobicContact CD1-CB 4.15Å; L463-A523 HydrophobicContact CD2-CB 4.25Å; L463-A523 HydrophobicContact CG-CB 4.18Å; M467-A523 HydrophobicContact CG-CB 3.99Å; M467-A523 HydrophobicContact SD-CB 3.81Å; L487-A523 HydrophobicContact CD2-CB 4.25Å; L519-A523 VanDerWaalsContact O-CB 3.25Å; L519-A523 WeakPolarHBondContact O-CB 3.4Å; L519-A523 PolarHBondContact O-N 3.15Å; M520-A523 HydrophobicContact CE-CB 4.16Å; M520-A523 PolarHBondContact O-N 2.92Å; A523-T526 WeakPolarHBondContact O-CB 3.26Å; A523-T526 PolarHBondContact O-N 3.5Å; A523-A527 WeakPolarHBondContact O-CB 3.41Å; A523-A527 PolarHBondContact O-N 3.24Å
524Y98.6Very high98.5Very high16 Ų1611.6 Ų11.66%0.0636%0.059CC..Hα-helixtrans-64.6-50.9177.5-171.4-105.3000111.7L484 K488 M520 E521 T526 A527 V528 Y559 E564L484-Y524 HydrophobicContact CD1-CD2 4.05Å; L484-Y524 HydrophobicContact CD1-CE2 3.79Å; K488-Y524 HydrophobicContact CG-CE2 3.78Å; M520-Y524 WeakPolarHBondContact O-CB 3.38Å; M520-Y524 PolarHBondContact O-N 3.44Å; E521-Y524 PolarHBondContact O-N 2.98Å; Y524-T526 VanDerWaalsContact C-N 3.29Å; Y524-T526 PolarHBondContact O-N 3.14Å; Y524-A527 PolarHBondContact O-N 3.35Å; Y524-A527 VanDerWaalsContact O-N 3.08Å; Y524-V528 HydrophobicContact CD1-CG2 4.12Å; Y524-V528 HydrophobicContact CE1-CG2 3.87Å; Y524-V528 HydrophobicContact CE2-CG2 4.28Å; Y524-V528 HydrophobicContact CG-CG2 4.47Å; Y524-V528 WeakPolarHBondContact O-CG2 3.44Å; Y524-V528 PolarHBondContact O-N 3.29Å; Y524-Y559 WeakPolarHBondContact CE1-OH 3.5Å; Y524-E564 VanDerWaalsContact CE1-OE2 3.3Å; Y524-E564 WeakPolarHBondContact CE1-OE2 3.29Å; Y524-E564 PolarHBondContact OH-OE2 3.25Å
525A98.6Very high98.4Very high0 Ų011.6 Ų11.60%06%0.059CC..Hα-helixtrans-57.8-42.3176.200000111.7I227 V233 M236 E521 A527 V528 S529 Y559I227-A525 HydrophobicContact CD1-CB 4.05Å; V233-A525 HydrophobicContact CG2-CB 4.02Å; M236-A525 HydrophobicContact CG-CB 4.32Å; E521-A525 WeakPolarHBondContact O-CB 3.28Å; E521-A525 PolarHBondContact O-N 3.09Å; A525-A527 PolarHBondContact O-N 2.96Å; A525-V528 PolarHBondContact O-N 3.48Å; A525-S529 WeakPolarHBondContact O-CB 3.47Å; A525-S529 PolarHBondContact O-N 2.92Å; A525-S529 PolarHBondContact O-OG 3.03Å; A525-Y559 HydrophobicContact CB-CD1 3.81Å; A525-Y559 HydrophobicContact CB-CE1 4.1Å; A525-Y559 HydrophobicContact CB-CG 4.17Å
526T98.7Very high98.4Very high0 Ų011.5 Ų11.50%06%0.06CC..Hα-helixtrans-56.7-48.4173.7-64.40000112M236 W239 M467 T522 A523 Y524 A530M236-T526 WeakPolarHBondContact O-CG2 3.3Å; M236-T526 PolarHBondContact O-OG1 3.43Å; W239-T526 PolarHBondContact NE1-OG1 3.04Å; W239-T526 VanDerWaalsContact NE1-OG1 3.13Å; M467-T526 HydrophobicContact CE-CG2 3.6Å; T522-T526 WeakPolarHBondContact O-CB 3.19Å; T522-T526 PolarHBondContact O-N 3.06Å; T522-T526 PolarHBondContact O-OG1 2.92Å; A523-T526 WeakPolarHBondContact O-CB 3.26Å; A523-T526 PolarHBondContact O-N 3.5Å; Y524-T526 VanDerWaalsContact C-N 3.29Å; Y524-T526 PolarHBondContact O-N 3.14Å; T526-A530 VanDerWaalsContact O-CB 3.23Å; T526-A530 WeakPolarHBondContact O-CB 3.38Å; T526-A530 PolarHBondContact O-N 2.74Å
527A98.4Very high98.3Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-69.2-38.8-175.600000112.8F471 L484 L487 A523 Y524 A525 N531F471-A527 HydrophobicContact CD1-CB 4.42Å; F471-A527 HydrophobicContact CD2-CB 4.47Å; F471-A527 HydrophobicContact CE1-CB 3.7Å; F471-A527 HydrophobicContact CE2-CB 3.76Å; F471-A527 HydrophobicContact CZ-CB 3.32Å; L484-A527 HydrophobicContact CD1-CB 3.92Å; L487-A527 HydrophobicContact CD1-CB 3.37Å; A523-A527 WeakPolarHBondContact O-CB 3.41Å; A523-A527 PolarHBondContact O-N 3.24Å; Y524-A527 PolarHBondContact O-N 3.35Å; Y524-A527 VanDerWaalsContact O-N 3.08Å; A525-A527 PolarHBondContact O-N 2.96Å; A527-N531 WeakPolarHBondContact O-CB 3.4Å; A527-N531 PolarHBondContact O-N 3.2Å; A527-N531 PolarHBondContact O-ND2 3.48Å
528V98.3Very high98.2Very high19 Ų1911 Ų1112%0.1156%0.059CC..Hα-helixtrans-64.3-49.7175.3176.60000109.9L484 Y524 A525 A530 N531 F532 Y559 M566L484-V528 HydrophobicContact CD1-CG2 3.72Å; L484-V528 HydrophobicContact CD2-CG2 4.39Å; Y524-V528 HydrophobicContact CD1-CG2 4.12Å; Y524-V528 HydrophobicContact CE1-CG2 3.87Å; Y524-V528 HydrophobicContact CE2-CG2 4.28Å; Y524-V528 HydrophobicContact CG-CG2 4.47Å; Y524-V528 WeakPolarHBondContact O-CG2 3.44Å; Y524-V528 PolarHBondContact O-N 3.29Å; A525-V528 PolarHBondContact O-N 3.48Å; V528-A530 VanDerWaalsContact C-N 3.34Å; V528-A530 PolarHBondContact O-N 3.44Å; V528-N531 PolarHBondContact O-N 3.13Å; V528-F532 WeakPolarHBondContact O-CB 3.31Å; V528-F532 PolarHBondContact O-N 2.88Å; V528-Y559 HydrophobicContact CB-CD2 4.33Å; V528-Y559 HydrophobicContact CB-CE2 4.34Å; V528-Y559 HydrophobicContact CG1-CD2 4.06Å; V528-Y559 HydrophobicContact CG1-CE2 4.17Å; V528-Y559 HydrophobicContact CG2-CE2 4.41Å; V528-M566 HydrophobicContact CG1-CG 3.66Å; V528-M566 HydrophobicContact CG1-SD 3.8Å
529S98.4Very high98.1Very high0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-62.1-40178.2-56.90000112.6E237 A525 N531 F532 R533 M566E237-S529 VanDerWaalsContact OE2-CB 3.24Å; E237-S529 WeakPolarHBondContact OE2-CB 3.43Å; A525-S529 WeakPolarHBondContact O-CB 3.47Å; A525-S529 PolarHBondContact O-N 2.92Å; A525-S529 PolarHBondContact O-OG 3.03Å; S529-N531 PolarHBondContact O-N 3.45Å; S529-F532 PolarHBondContact O-N 3.42Å; S529-R533 PolarHBondContact O-N 3.04Å; S529-R533 VanDerWaalsContact O-N 3.12Å; S529-M566 VanDerWaalsContact OG-CE 3.32Å; S529-M566 WeakPolarHBondContact OG-CE 3.47Å
530A98.3Very high98.1Very high0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-67.8-35.6179.700000112.8E237 F471 M480 T526 V528 H540 R542E237-A530 HydrophobicContact CB-CB 3.82Å; F471-A530 HydrophobicContact CD1-CB 3.92Å; F471-A530 HydrophobicContact CE1-CB 4.11Å; M480-A530 WeakPolarHBondContact CE-O 3.43Å; M480-A530 HydrophobicContact SD-CB 3.85Å; T526-A530 VanDerWaalsContact O-CB 3.23Å; T526-A530 WeakPolarHBondContact O-CB 3.38Å; T526-A530 PolarHBondContact O-N 2.74Å; V528-A530 VanDerWaalsContact C-N 3.34Å; V528-A530 PolarHBondContact O-N 3.44Å; A530-H540 PolarHBondContact O-CE1 3.04Å; A530-R542 PolarHBondContact O-NH1 2.83Å
531N97.6Very high98Very high35 Ų3512.1 Ų12.119%0.1877%0.066CC..Hα-helixtrans-70.4-36.5173.7-85.9-72.5000112M480 A481 A527 V528 S529M480-N531 WeakPolarHBondContact CB-OD1 3.35Å; M480-N531 PolarHBondContact O-ND2 3.07Å; M480-N531 VanDerWaalsContact O-ND2 3.1Å; A481-N531 WeakPolarHBondContact CA-OD1 3.37Å; A481-N531 PolarHBondContact N-OD1 2.89Å; A527-N531 WeakPolarHBondContact O-CB 3.4Å; A527-N531 PolarHBondContact O-N 3.2Å; A527-N531 PolarHBondContact O-ND2 3.48Å; V528-N531 PolarHBondContact O-N 3.13Å; S529-N531 PolarHBondContact O-N 3.45Å
532F97.8Very high97.9Very high64 Ų6411.2 Ų11.228%0.2816%0.062SC..Hα-helixtrans-65-43.5179.8177.4-112.6000112.8V528 S529 T534 W553 M566 R568V528-F532 WeakPolarHBondContact O-CB 3.31Å; V528-F532 PolarHBondContact O-N 2.88Å; S529-F532 PolarHBondContact O-N 3.42Å; F532-T534 PolarHBondContact O-N 3.34Å; F532-W553 AromaticContact CD1-CH2 3.71Å; F532-W553 HydrophobicContact CD1-CH2 3.71Å; F532-W553 AromaticContact CD1-CZ3 3.76Å; F532-W553 HydrophobicContact CD1-CZ3 3.76Å; F532-W553 HydrophobicContact CD2-CH2 4.46Å; F532-W553 AromaticContact CE1-CH2 3.63Å; F532-W553 HydrophobicContact CE1-CH2 3.63Å; F532-W553 AromaticContact CE1-CZ3 3.55Å; F532-W553 HydrophobicContact CE1-CZ3 3.55Å; F532-W553 HydrophobicContact CE2-CH2 4.38Å; F532-W553 HydrophobicContact CG-CH2 4.14Å; F532-W553 AromaticContact CZ-CH2 3.98Å; F532-W553 HydrophobicContact CZ-CH2 3.98Å; F532-W553 HydrophobicContact CZ-CZ3 4.25Å; F532-W553 WeakPolarHBondContact O-CH2 3.4Å; F532-W553 VanDerWaalsContact O-CZ2 3.3Å; F532-W553 WeakPolarHBondContact O-CZ2 3.29Å; F532-M566 HydrophobicContact CB-CB 4.18Å; F532-M566 HydrophobicContact CB-CG 3.76Å; F532-M566 HydrophobicContact CD1-CB 3.75Å; F532-M566 HydrophobicContact CD1-CE 3.91Å; F532-M566 HydrophobicContact CD1-CG 4.1Å; F532-M566 HydrophobicContact CD2-CB 3.65Å; F532-M566 HydrophobicContact CD2-CG 4.15Å; F532-M566 HydrophobicContact CE1-CB 3.94Å; F532-M566 HydrophobicContact CE1-CE 4.5Å; F532-M566 HydrophobicContact CE2-CB 3.86Å; F532-M566 HydrophobicContact CG-CB 3.59Å; F532-M566 HydrophobicContact CG-CE 4.44Å; F532-M566 HydrophobicContact CG-CG 3.75Å; F532-M566 HydrophobicContact CZ-CB 4Å; F532-R568 HydrophobicContact CE1-CG 4.05Å; F532-R568 HydrophobicContact CZ-CG 4.18Å
533R98.2Very high97.5Very high0 Ų015.7 Ų15.70%08%0.082CC..  trans-74.6113.7-179.2-172.4175.2-65.1-90.23.4112D235 E237 S529 E535 H540 R542 W553 C555 S557D235-R533 IonicContact OD1-NH2 2.64Å; E237-R533 IonicContact OE1-CZ 2.71Å; E237-R533 VanDerWaalsContact OE1-CZ 3.27Å; E237-R533 IonicContact OE1-NE 3.59Å; E237-R533 PolarHBondContact OE1-NE 3.12Å; E237-R533 IonicContact OE1-NH2 2.98Å; E237-R533 PolarHBondContact OE1-NH2 3Å; S529-R533 PolarHBondContact O-N 3.04Å; S529-R533 VanDerWaalsContact O-N 3.12Å; R533-E535 HydrophobicContact CG-CG 3.63Å; R533-E535 IonicContact CZ-OE1 2.76Å; R533-E535 IonicContact NH1-OE1 3.75Å; R533-E535 PolarHBondContact NH1-OE1 3.1Å; R533-H540 PolarHBondContact O-NE2 3.44Å; R533-R542 PolarHBondContact O-NH1 2.83Å; R533-W553 HydrophobicContact CB-CE3 4.46Å; R533-W553 HydrophobicContact CB-CH2 4.43Å; R533-W553 HydrophobicContact CB-CZ3 4.21Å; R533-W553 HydrophobicContact CG-CD2 4.2Å; R533-W553 HydrophobicContact CG-CE3 3.99Å; R533-W553 HydrophobicContact CG-CZ3 4.24Å; R533-W553 PolarHBondContact NH1-O 3.4Å; R533-W553 VanDerWaalsContact NH1-O 3.17Å; R533-C555 PolarHBondContact NH2-O 2.67Å; R533-C555 VanDerWaalsContact NH2-O 3.11Å; R533-S557 PolarHBondContact NH2-OG 3.46Å
534T97.4Very high97.4Very high49 Ų4919 Ų1930%0.30110%0.099SC..  trans-108.658.9179.560.80000111.7F532 F545 W553F532-T534 PolarHBondContact O-N 3.34Å; T534-F545 HydrophobicContact CG2-CD2 4.43Å; T534-F545 HydrophobicContact CG2-CE2 4Å; T534-F545 HydrophobicContact CG2-CZ 4.1Å; T534-F545 WeakPolarHBondContact O-CD1 3.32Å; T534-W553 PolarHBondContact OG1-NE1 3.34Å
535E97.8Very high97.3Very high1 Ų122.3 Ų22.31%0.00511%0.114CC..SBendtrans-150.5179172.663.2158.2174.900109.4R533 R537 H540 R542 F545 D549 W553R533-E535 HydrophobicContact CG-CG 3.63Å; R533-E535 IonicContact CZ-OE1 2.76Å; R533-E535 IonicContact NH1-OE1 3.75Å; R533-E535 PolarHBondContact NH1-OE1 3.1Å; E535-R537 IonicContact OE1-CZ 2.64Å; E535-R537 IonicContact OE1-NE 3.73Å; E535-R537 PolarHBondContact OE1-NE 3.07Å; E535-R537 IonicContact OE1-NH2 2.74Å; E535-R537 IonicContact OE2-CZ 3.1Å; E535-R537 IonicContact OE2-NE 3.04Å; E535-R537 PolarHBondContact OE2-NE 3.44Å; E535-R537 IonicContact OE2-NH2 3.86Å; E535-R537 PolarHBondContact OE2-NH2 3.22Å; E535-H540 PolarHBondContact O-CD2 2.76Å; E535-R542 VanDerWaalsContact O-CG 3.27Å; E535-R542 WeakPolarHBondContact O-CG 3.28Å; E535-F545 CarbonylContact C-O 3.6Å; E535-F545 VanDerWaalsContact C-O 3.28Å; E535-D549 HydrophobicContact CB-CB 4.06Å; E535-D549 PolarHBondContact OE2-N 2.84Å; E535-W553 HydrophobicContact CB-CB 4.41Å; E535-W553 HydrophobicContact CB-CG 4.21Å; E535-W553 HydrophobicContact CG-CB 3.74Å; E535-W553 HydrophobicContact CG-CD2 4.42Å; E535-W553 HydrophobicContact CG-CG 3.77Å; E535-W553 WeakPolarHBondContact OE1-CB 3.48Å; E535-W553 WeakPolarHBondContact OE2-CB 3.28Å
536S97.5Very high97.1Very high14 Ų1426.5 Ų26.510%0.09814%0.141CC..  trans-117121.7164-71.70000111H540 R542 F545 P546 D547 R548S536-H540 CarbonylContact C-O 3.59Å; S536-H540 WeakPolarHBondContact CA-O 3.39Å; S536-R542 PolarHBondContact OG-N 2.9Å; S536-R542 PolarHBondContact OG-O 2.77Å; S536-R542 VanDerWaalsContact OG-O 3.14Å; S536-F545 WeakPolarHBondContact CB-O 3.27Å; S536-F545 PolarHBondContact N-O 3.4Å; S536-F545 VanDerWaalsContact N-O 3.09Å; S536-F545 PolarHBondContact OG-O 3.36Å; S536-P546 VanDerWaalsContact CB-O 3.32Å; S536-P546 WeakPolarHBondContact CB-O 3.32Å; S536-D547 PolarHBondContact N-O 2.96Å; S536-R548 WeakPolarHBondContact O-CA 3.35Å; S536-R548 WeakPolarHBondContact O-CB 3.31Å; S536-R548 PolarHBondContact O-N 2.88Å
537R97.7Very high97Very high2 Ų232.5 Ų32.51%0.00817%0.173CC..BIsolated β-bridgetrans-145.1129.2-179.3-171.9-178.6-63.2-86.3-7.6110.7D77 I79 A397 E535 A539 H540 R548 D549 D550D77-R537 HydrophobicContact CB-CG 3.77Å; D77-R537 PolarHBondContact O-NH1 2.87Å; D77-R537 WeakPolarHBondContact OD2-CG 3.39Å; I79-R537 VanDerWaalsContact CG2-CD 3.45Å; A397-R537 HydrophobicContact CB-CB 4.39Å; A397-R537 HydrophobicContact CB-CG 3.71Å; E535-R537 IonicContact OE1-CZ 2.64Å; E535-R537 IonicContact OE1-NE 3.73Å; E535-R537 PolarHBondContact OE1-NE 3.07Å; E535-R537 IonicContact OE1-NH2 2.74Å; E535-R537 IonicContact OE2-CZ 3.1Å; E535-R537 IonicContact OE2-NE 3.04Å; E535-R537 PolarHBondContact OE2-NE 3.44Å; E535-R537 IonicContact OE2-NH2 3.86Å; E535-R537 PolarHBondContact OE2-NH2 3.22Å; R537-A539 PolarHBondContact O-N 3.4Å; R537-A539 VanDerWaalsContact O-N 3.16Å; R537-H540 PolarHBondContact N-O 3.16Å; R537-H540 WeakPolarHBondContact O-CB 3.42Å; R537-H540 PolarHBondContact O-N 3.21Å; R537-R548 HydrophobicContact CB-CG 4.41Å; R537-R548 HydrophobicContact CG-CG 4.3Å; R537-R548 VanDerWaalsContact CZ-CG 3.44Å; R537-R548 VanDerWaalsContact NH1-CD 3.3Å; R537-R548 VanDerWaalsContact NH2-CG 3.32Å; R537-D549 PolarHBondContact NH2-O 3.32Å; R537-D550 IonicContact CZ-OD1 2.78Å; R537-D550 IonicContact NH1-OD1 2.68Å; R537-D550 PolarHBondContact NH1-OD1 3.13Å; R537-D550 IonicContact NH2-OD1 2.88Å; R537-D550 PolarHBondContact NH2-OD1 3.1Å
538G96.7Very high96.9Very high4 Ų435.4 Ų35.44%0.04118%0.184CC..THydrogen-bonded Turntrans48-120-179.300000112.8D77 D287 R291 H540D77-G538 PolarHBondContact OD2-N 3.37Å; D287-G538 WeakPolarHBondContact CB-O 3.27Å; R291-G538 PolarHBondContact NH1-O 2.98Å; G538-H540 VanDerWaalsContact C-N 3.35Å
539A97.4Very high96.8Very high8 Ų836.6 Ų36.67%0.06619%0.19CC..THydrogen-bonded Turntrans-78.5-14-179.300000114.4W239 D287 M357 A397 R537 S541W239-A539 WeakPolarHBondContact O-CB 3.32Å; D287-A539 HydrophobicContact CB-CB 4.42Å; M357-A539 HydrophobicContact CE-CB 3.67Å; A397-A539 WeakPolarHBondContact O-CB 3.41Å; A397-A539 PolarHBondContact O-N 2.92Å; R537-A539 PolarHBondContact O-N 3.4Å; R537-A539 VanDerWaalsContact O-N 3.16Å; A539-S541 PolarHBondContact O-N 2.94Å
540H97.9Very high96.8Very high0 Ų039 Ų390%020%0.203CC..BIsolated β-bridgetrans-85.9107.2172.7-174.979.7000109.8M238 R475 A530 R533 E535 S536 R537 G538 R542M238-H540 HydrophobicContact CE-CB 3.99Å; M238-H540 HydrophobicContact SD-CB 3.68Å; R475-H540 PolarHBondContact NH1-CE1 2.76Å; R475-H540 PolarHBondContact NH1-ND1 3.04Å; A530-H540 PolarHBondContact O-CE1 3.04Å; R533-H540 PolarHBondContact O-NE2 3.44Å; E535-H540 PolarHBondContact O-CD2 2.76Å; S536-H540 CarbonylContact C-O 3.59Å; S536-H540 WeakPolarHBondContact CA-O 3.39Å; R537-H540 PolarHBondContact N-O 3.16Å; R537-H540 WeakPolarHBondContact O-CB 3.42Å; R537-H540 PolarHBondContact O-N 3.21Å; G538-H540 VanDerWaalsContact C-N 3.35Å; H540-R542 VanDerWaalsContact NE2-CG 3.3Å; H540-R542 WeakPolarHBondContact NE2-CG 3.43Å
541S96.2Very high96.7Very high15 Ų1547.5 Ų47.511%0.10524%0.243CC..  trans-123.8110.1-178.2-172.20000111.5R291 R475 A539R291-S541 WeakPolarHBondContact CD-OG 3.36Å; R475-S541 WeakPolarHBondContact CB-O 3.23Å; R475-S541 PolarHBondContact N-O 3.2Å; A539-S541 PolarHBondContact O-N 2.94Å
542R96.1Very high96.6Very high9 Ų949.5 Ų49.53%0.03425%0.253CS..BIsolated β-bridgetrans-99.8120.7178.9-70-73.7-65.4-97.35.1109.9R475 M480 A530 R533 E535 S536 H540 D544 F545 P546R475-R542 CarbonylContact O-C 3.4Å; R475-R542 WeakPolarHBondContact O-CA 3.28Å; M480-R542 VanDerWaalsContact CE-NE 3.3Å; A530-R542 PolarHBondContact O-NH1 2.83Å; R533-R542 PolarHBondContact O-NH1 2.83Å; E535-R542 VanDerWaalsContact O-CG 3.27Å; E535-R542 WeakPolarHBondContact O-CG 3.28Å; S536-R542 PolarHBondContact OG-N 2.9Å; S536-R542 PolarHBondContact OG-O 2.77Å; S536-R542 VanDerWaalsContact OG-O 3.14Å; H540-R542 VanDerWaalsContact NE2-CG 3.3Å; H540-R542 WeakPolarHBondContact NE2-CG 3.43Å; R542-D544 VanDerWaalsContact C-N 3.29Å; R542-D544 IonicContact CZ-OD1 3.34Å; R542-D544 IonicContact CZ-OD2 3.75Å; R542-D544 IonicContact NE-OD1 3.3Å; R542-D544 PolarHBondContact NE-OD1 2.86Å; R542-D544 IonicContact NE-OD2 2.69Å; R542-D544 IonicContact NH2-OD1 2.69Å; R542-D544 PolarHBondContact NH2-OD1 3.43Å; R542-D544 IonicContact NH2-OD2 3.53Å; R542-D544 PolarHBondContact NH2-OD2 2.86Å; R542-D544 PolarHBondContact O-N 2.86Å; R542-F545 HydrophobicContact CB-CB 3.93Å; R542-F545 CarbonylContact O-C 3.56Å; R542-F545 PolarHBondContact O-N 3.42Å; R542-F545 VanDerWaalsContact O-O 3.09Å; R542-P546 WeakPolarHBondContact O-CA 3.35Å
543F91.8Very high96.6Very high94 Ų9446.9 Ų46.941%0.41224%0.242SC..SBendtrans-67.6-31.9174.8-91.6-70.2000113F474 R475 E476 F545F474-F543 HydrophobicContact CB-CD2 3.97Å; F474-F543 HydrophobicContact CB-CE2 3.48Å; F474-F543 VanDerWaalsContact CB-CE2 3.48Å; F474-F543 HydrophobicContact CD1-CD2 4.01Å; F474-F543 AromaticContact CD1-CE2 3.28Å; F474-F543 HydrophobicContact CD1-CE2 3.28Å; F474-F543 AromaticContact CD1-CZ 3.67Å; F474-F543 HydrophobicContact CD1-CZ 3.67Å; F474-F543 AromaticContact CD2-CE2 3.9Å; F474-F543 HydrophobicContact CD2-CE2 3.9Å; F474-F543 HydrophobicContact CD2-CZ 4.23Å; F474-F543 AromaticContact CE1-CE2 3.91Å; F474-F543 HydrophobicContact CE1-CE2 3.91Å; F474-F543 AromaticContact CE1-CZ 3.79Å; F474-F543 HydrophobicContact CE1-CZ 3.79Å; F474-F543 HydrophobicContact CE2-CE2 4.43Å; F474-F543 HydrophobicContact CE2-CZ 4.32Å; F474-F543 HydrophobicContact CG-CD2 4.15Å; F474-F543 AromaticContact CG-CE2 3.28Å; F474-F543 HydrophobicContact CG-CE2 3.28Å; F474-F543 AromaticContact CG-CZ 3.92Å; F474-F543 HydrophobicContact CG-CZ 3.92Å; F474-F543 HydrophobicContact CZ-CE2 4.46Å; F474-F543 HydrophobicContact CZ-CZ 4.14Å; R475-F543 PolarHBondContact O-N 2.9Å; E476-F543 HydrophobicContact CG-CB 3.84Å; E476-F543 HydrophobicContact CG-CD2 4.26Å; E476-F543 HydrophobicContact CG-CG 4.47Å; F543-F545 VanDerWaalsContact C-N 3.32Å
544D95.5Very high96.6Very high70 Ų7049.3 Ų49.337%0.37425%0.254SS..SBendtrans-80.1-13.4176.954.9-33000113.4G477 R542G477-D544 VanDerWaalsContact CA-OD2 3.29Å; G477-D544 WeakPolarHBondContact CA-OD2 3.25Å; G477-D544 PolarHBondContact N-OD1 3.31Å; G477-D544 PolarHBondContact N-OD2 2.85Å; G477-D544 VanDerWaalsContact N-OD2 3.1Å; R542-D544 VanDerWaalsContact C-N 3.29Å; R542-D544 IonicContact CZ-OD1 3.34Å; R542-D544 IonicContact CZ-OD2 3.75Å; R542-D544 IonicContact NE-OD1 3.3Å; R542-D544 PolarHBondContact NE-OD1 2.86Å; R542-D544 IonicContact NE-OD2 2.69Å; R542-D544 IonicContact NH2-OD1 2.69Å; R542-D544 PolarHBondContact NH2-OD1 3.43Å; R542-D544 IonicContact NH2-OD2 3.53Å; R542-D544 PolarHBondContact NH2-OD2 2.86Å; R542-D544 PolarHBondContact O-N 2.86Å
545F96.7Very high96.6Very high85 Ų8547.5 Ų47.537%0.37324%0.244SC..SBendtrans-138.872.4173.6-63.1-88.2000109.7T534 E535 S536 R542 F543 D547T534-F545 HydrophobicContact CG2-CD2 4.43Å; T534-F545 HydrophobicContact CG2-CE2 4Å; T534-F545 HydrophobicContact CG2-CZ 4.1Å; T534-F545 WeakPolarHBondContact O-CD1 3.32Å; E535-F545 CarbonylContact C-O 3.6Å; E535-F545 VanDerWaalsContact C-O 3.28Å; S536-F545 WeakPolarHBondContact CB-O 3.27Å; S536-F545 PolarHBondContact N-O 3.4Å; S536-F545 VanDerWaalsContact N-O 3.09Å; S536-F545 PolarHBondContact OG-O 3.36Å; R542-F545 HydrophobicContact CB-CB 3.93Å; R542-F545 CarbonylContact O-C 3.56Å; R542-F545 PolarHBondContact O-N 3.42Å; R542-F545 VanDerWaalsContact O-O 3.09Å; F543-F545 VanDerWaalsContact C-N 3.32Å; F545-D547 VanDerWaalsContact C-N 3.28Å; F545-D547 PolarHBondContact O-N 3.41Å
546P94.8Very high96.6Very high87 Ų8747.5 Ų47.557%0.56524%0.244SC*.  trans-73.3-18-166.729.6-36.7000114.4S536 R542S536-P546 VanDerWaalsContact CB-O 3.32Å; S536-P546 WeakPolarHBondContact CB-O 3.32Å; R542-P546 WeakPolarHBondContact O-CA 3.35Å
547D95.6Very high96.7Very high126 Ų12646.8 Ų46.867%0.67424%0.239SC*.SBendtrans-96.2152.3-174.9-60.8-52.7000112.2S536 F545S536-D547 PolarHBondContact N-O 2.96Å; F545-D547 VanDerWaalsContact C-N 3.28Å; F545-D547 PolarHBondContact O-N 3.41Å
548R96.9Very high96.7Very high61 Ų6146.8 Ų46.823%0.2324%0.239CC..  trans-78.3127.7170.5-168.5-175.284.6-163.4-7.3109.2D77 Y78 S536 R537 D550 K584D77-R548 VanDerWaalsContact OD1-CD 3.24Å; D77-R548 WeakPolarHBondContact OD1-CD 3.4Å; D77-R548 IonicContact OD1-CZ 3.56Å; D77-R548 IonicContact OD1-NE 2.68Å; D77-R548 IonicContact OD1-NH1 3.53Å; D77-R548 PolarHBondContact OD1-NH1 2.81Å; Y78-R548 VanDerWaalsContact CD2-NH1 3.34Å; S536-R548 WeakPolarHBondContact O-CA 3.35Å; S536-R548 WeakPolarHBondContact O-CB 3.31Å; S536-R548 PolarHBondContact O-N 2.88Å; R537-R548 HydrophobicContact CB-CG 4.41Å; R537-R548 HydrophobicContact CG-CG 4.3Å; R537-R548 VanDerWaalsContact CZ-CG 3.44Å; R537-R548 VanDerWaalsContact NH1-CD 3.3Å; R537-R548 VanDerWaalsContact NH2-CG 3.32Å; R548-D550 IonicContact CZ-OD1 2.91Å; R548-D550 IonicContact CZ-OD2 3.65Å; R548-D550 VanDerWaalsContact CZ-OD2 3.24Å; R548-D550 IonicContact NE-OD1 3.4Å; R548-D550 PolarHBondContact NE-OD1 3.48Å; R548-D550 IonicContact NE-OD2 3.67Å; R548-D550 PolarHBondContact NE-OD2 3.33Å; R548-D550 IonicContact NH2-OD1 3.98Å; R548-D550 IonicContact NH2-OD2 3.74Å; R548-D550 PolarHBondContact NH2-OD2 3.44Å; R548-K584 PolarHBondContact NH1-O 3.05Å; R548-K584 PolarHBondContact NH2-O 2.77Å; R548-K584 VanDerWaalsContact NH2-O 3.13Å
549D97.5Very high96.8Very high45 Ų4546.6 Ų46.624%0.24124%0.237CC..  trans-112.690.1-176.6179.8-5.6000110.1E535 R537 E551 N552 W553E535-D549 HydrophobicContact CB-CB 4.06Å; E535-D549 PolarHBondContact OE2-N 2.84Å; R537-D549 PolarHBondContact NH2-O 3.32Å; D549-E551 VanDerWaalsContact C-N 3.25Å; D549-E551 PolarHBondContact O-N 3Å; D549-E551 PolarHBondContact OD1-N 3.42Å; D549-E551 VanDerWaalsContact OD1-N 3.11Å; D549-N552 PolarHBondContact OD1-N 2.84Å; D549-N552 PolarHBondContact OD1-ND2 2.79Å; D549-N552 WeakPolarHBondContact OD2-CB 3.32Å; D549-N552 PolarHBondContact OD2-ND2 3.23Å; D549-W553 WeakPolarHBondContact O-CA 3.38Å; D549-W553 VanDerWaalsContact O-CB 3.32Å; D549-W553 WeakPolarHBondContact O-CB 3.35Å; D549-W553 PolarHBondContact O-N 3.26Å
550D96.8Very high96.8Very high50 Ų5048.2 Ų48.227%0.26724%0.244SC..THydrogen-bonded Turntrans-74.1-14.3-179.6-68.6-19000113.4R537 R548 L554 P583R537-D550 IonicContact CZ-OD1 2.78Å; R537-D550 IonicContact NH1-OD1 2.68Å; R537-D550 PolarHBondContact NH1-OD1 3.13Å; R537-D550 IonicContact NH2-OD1 2.88Å; R537-D550 PolarHBondContact NH2-OD1 3.1Å; R548-D550 IonicContact CZ-OD1 2.91Å; R548-D550 IonicContact CZ-OD2 3.65Å; R548-D550 VanDerWaalsContact CZ-OD2 3.24Å; R548-D550 IonicContact NE-OD1 3.4Å; R548-D550 PolarHBondContact NE-OD1 3.48Å; R548-D550 IonicContact NE-OD2 3.67Å; R548-D550 PolarHBondContact NE-OD2 3.33Å; R548-D550 IonicContact NH2-OD1 3.98Å; R548-D550 IonicContact NH2-OD2 3.74Å; R548-D550 PolarHBondContact NH2-OD2 3.44Å; D550-L554 VanDerWaalsContact O-CB 3.31Å; D550-L554 WeakPolarHBondContact O-CB 3.42Å; D550-P583 WeakPolarHBondContact OD2-CB 3.4Å
551E95.9Very high96.8Very high178 Ų17849.1 Ų49.183%0.83225%0.25SC*.THydrogen-bonded Turntrans-76.8-44.8177.5-174.9176.3176.800110.6D549D549-E551 VanDerWaalsContact C-N 3.25Å; D549-E551 PolarHBondContact O-N 3Å; D549-E551 PolarHBondContact OD1-N 3.42Å; D549-E551 VanDerWaalsContact OD1-N 3.11Å
552N97Very high96.6Very high78 Ų7856.2 Ų56.242%0.41728%0.281SS..THydrogen-bonded Turntrans-102.8-21.2-174.4-59.2-72000114.4D549 R568D549-N552 PolarHBondContact OD1-N 2.84Å; D549-N552 PolarHBondContact OD1-ND2 2.79Å; D549-N552 WeakPolarHBondContact OD2-CB 3.32Å; D549-N552 PolarHBondContact OD2-ND2 3.23Å; N552-R568 PolarHBondContact O-NH1 3.49Å
553W97.7Very high96.6Very high9 Ų959.3 Ų59.33%0.03431%0.305CS..  trans-130.814.1-166.7-66.9107.1000115.2F532 R533 T534 E535 D549 C555F532-W553 AromaticContact CD1-CH2 3.71Å; F532-W553 HydrophobicContact CD1-CH2 3.71Å; F532-W553 AromaticContact CD1-CZ3 3.76Å; F532-W553 HydrophobicContact CD1-CZ3 3.76Å; F532-W553 HydrophobicContact CD2-CH2 4.46Å; F532-W553 AromaticContact CE1-CH2 3.63Å; F532-W553 HydrophobicContact CE1-CH2 3.63Å; F532-W553 AromaticContact CE1-CZ3 3.55Å; F532-W553 HydrophobicContact CE1-CZ3 3.55Å; F532-W553 HydrophobicContact CE2-CH2 4.38Å; F532-W553 HydrophobicContact CG-CH2 4.14Å; F532-W553 AromaticContact CZ-CH2 3.98Å; F532-W553 HydrophobicContact CZ-CH2 3.98Å; F532-W553 HydrophobicContact CZ-CZ3 4.25Å; F532-W553 WeakPolarHBondContact O-CH2 3.4Å; F532-W553 VanDerWaalsContact O-CZ2 3.3Å; F532-W553 WeakPolarHBondContact O-CZ2 3.29Å; R533-W553 HydrophobicContact CB-CE3 4.46Å; R533-W553 HydrophobicContact CB-CH2 4.43Å; R533-W553 HydrophobicContact CB-CZ3 4.21Å; R533-W553 HydrophobicContact CG-CD2 4.2Å; R533-W553 HydrophobicContact CG-CE3 3.99Å; R533-W553 HydrophobicContact CG-CZ3 4.24Å; R533-W553 PolarHBondContact NH1-O 3.4Å; R533-W553 VanDerWaalsContact NH1-O 3.17Å; T534-W553 PolarHBondContact OG1-NE1 3.34Å; E535-W553 HydrophobicContact CB-CB 4.41Å; E535-W553 HydrophobicContact CB-CG 4.21Å; E535-W553 HydrophobicContact CG-CB 3.74Å; E535-W553 HydrophobicContact CG-CD2 4.42Å; E535-W553 HydrophobicContact CG-CG 3.77Å; E535-W553 WeakPolarHBondContact OE1-CB 3.48Å; E535-W553 WeakPolarHBondContact OE2-CB 3.28Å; D549-W553 WeakPolarHBondContact O-CA 3.38Å; D549-W553 VanDerWaalsContact O-CB 3.32Å; D549-W553 WeakPolarHBondContact O-CB 3.35Å; D549-W553 PolarHBondContact O-N 3.26Å; W553-C555 PolarHBondContact O-N 2.71Å
554L97.5Very high96.8Very high50 Ų5058.4 Ų58.426%0.26230%0.302SS..SBendtrans-73.161163-166.670.5000110.7Y78 I79 D550 P583Y78-L554 WeakPolarHBondContact O-CD1 3.22Å; I79-L554 HydrophobicContact CG2-CD1 4.15Å; D550-L554 VanDerWaalsContact O-CB 3.31Å; D550-L554 WeakPolarHBondContact O-CB 3.42Å; L554-P583 HydrophobicContact CD1-CG 4.03Å; L554-P583 HydrophobicContact CD2-CG 3.76Å
555C97.8Very high96.8Very high12 Ų1257.3 Ų57.38%0.08130%0.299CS..EExtended strand (participates in β ladder)trans-152.6158.4-175.765.70000110.5R533 W553 R568R533-C555 PolarHBondContact NH2-O 2.67Å; R533-C555 VanDerWaalsContact NH2-O 3.11Å; W553-C555 PolarHBondContact O-N 2.71Å; C555-R568 HydrophobicContact CB-CB 4.26Å
556H98.6Very high96.9Very high0 Ų054.9 Ų54.90%029%0.289CS..EExtended strand (participates in β ladder)trans-76.9143.2164.5-57.5-67.2000110.8I79 D81 Q234 D235 S393 R568 R569I79-H556 PolarHBondContact O-CE1 3.37Å; D81-H556 IonicContact OD1-CE1 3.45Å; D81-H556 IonicContact OD1-NE2 2.9Å; D81-H556 PolarHBondContact OD1-NE2 3.15Å; D81-H556 IonicContact OD2-NE2 3.79Å; Q234-H556 VanDerWaalsContact CD-CG 3.46Å; Q234-H556 HydrophobicContact CG-CB 3.61Å; Q234-H556 PolarHBondContact NE2-ND1 2.97Å; D235-H556 WeakPolarHBondContact OD1-CA 3.25Å; D235-H556 IonicContact OD1-ND1 2.98Å; D235-H556 IonicContact OD2-CE1 3.82Å; D235-H556 IonicContact OD2-CG 2.9Å; D235-H556 IonicContact OD2-ND1 3.34Å; D235-H556 PolarHBondContact OD2-ND1 2.84Å; S393-H556 PolarHBondContact OG-CE1 2.91Å; H556-R568 WeakPolarHBondContact O-CA 3.45Å; H556-R569 HydrophobicContact CB-CB 4.26Å; H556-R569 PolarHBondContact N-O 3.17Å; H556-R569 PolarHBondContact O-N 3.05Å
557S98.3Very high96.9Very high0 Ų053.1 Ų53.10%028%0.277CS..EExtended strand (participates in β ladder)trans-87132.1167.2-72.80000109Q234 D235 E237 R533Q234-S557 CarbonylContact C-O 3.58Å; Q234-S557 VanDerWaalsContact CA-O 3.27Å; Q234-S557 WeakPolarHBondContact CA-O 3.29Å; D235-S557 PolarHBondContact N-O 2.69Å; D235-S557 PolarHBondContact OD1-N 2.97Å; E237-S557 WeakPolarHBondContact OE1-CB 3.08Å; E237-S557 PolarHBondContact OE1-OG 2.92Å; R533-S557 PolarHBondContact NH2-OG 3.46Å
558L98.3Very high97Very high1 Ų152 Ų521%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-124.6118-178.4-166.673.1000110.2P232 Q234 P361 V371 L560 M566 T567P232-L558 HydrophobicContact CB-CD1 3.82Å; P232-L558 HydrophobicContact CB-CD2 4.16Å; P232-L558 HydrophobicContact CB-CG 3.87Å; P232-L558 HydrophobicContact CG-CD1 4.26Å; P232-L558 HydrophobicContact CG-CD2 4.4Å; Q234-L558 HydrophobicContact CB-CD1 4Å; Q234-L558 HydrophobicContact CG-CD1 4.44Å; P361-L558 HydrophobicContact CG-CD1 4.07Å; V371-L558 HydrophobicContact CB-CD2 4.3Å; V371-L558 HydrophobicContact CG1-CD2 3.7Å; V371-L558 HydrophobicContact CG2-CD2 3.59Å; L558-L560 HydrophobicContact CD2-CD2 3.95Å; L558-L560 HydrophobicContact CG-CD2 4.24Å; L558-M566 WeakPolarHBondContact O-CA 3.17Å; L558-T567 HydrophobicContact CB-CG2 3.85Å; L558-T567 HydrophobicContact CD2-CG2 3.9Å; L558-T567 HydrophobicContact CG-CG2 4.3Å; L558-T567 PolarHBondContact N-O 2.87Å; L558-T567 PolarHBondContact O-N 3.07Å
559Y98.6Very high96.9Very high1 Ų150.1 Ų50.10%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-88.9120.8174.2176-105.1000109.7I227 P232 V233 Y524 A525 V528 P561 E564 M566I227-Y559 HydrophobicContact CD1-CE1 4.48Å; P232-Y559 VanDerWaalsContact CA-O 3.25Å; P232-Y559 WeakPolarHBondContact CA-O 3.46Å; P232-Y559 VanDerWaalsContact CB-O 3.31Å; P232-Y559 WeakPolarHBondContact CB-O 3.36Å; V233-Y559 HydrophobicContact CG2-CD1 3.93Å; V233-Y559 HydrophobicContact CG2-CG 4.42Å; V233-Y559 PolarHBondContact N-O 3.34Å; V233-Y559 PolarHBondContact O-N 3.49Å; Y524-Y559 WeakPolarHBondContact CE1-OH 3.5Å; A525-Y559 HydrophobicContact CB-CD1 3.81Å; A525-Y559 HydrophobicContact CB-CE1 4.1Å; A525-Y559 HydrophobicContact CB-CG 4.17Å; V528-Y559 HydrophobicContact CB-CD2 4.33Å; V528-Y559 HydrophobicContact CB-CE2 4.34Å; V528-Y559 HydrophobicContact CG1-CD2 4.06Å; V528-Y559 HydrophobicContact CG1-CE2 4.17Å; V528-Y559 HydrophobicContact CG2-CE2 4.41Å; Y559-P561 HydrophobicContact CE1-CB 4.06Å; Y559-P561 WeakPolarHBondContact O-CD 3.46Å; Y559-E564 HydrophobicContact CE2-CB 4.29Å; Y559-E564 WeakPolarHBondContact OH-CG 3.46Å; Y559-M566 HydrophobicContact CD2-SD 3.83Å; Y559-M566 HydrophobicContact CG-SD 4.3Å
560L97.5Very high96.8Very high42 Ų4252.8 Ų52.822%0.2228%0.279CS..EExtended strand (participates in β ladder)trans-95.6108.7177.1-57.2-176.4000109P232 V371 L558 E562 E564 S565 T567P232-L560 HydrophobicContact CB-CD2 3.9Å; V371-L560 HydrophobicContact CG2-CD2 4.21Å; L558-L560 HydrophobicContact CD2-CD2 3.95Å; L558-L560 HydrophobicContact CG-CD2 4.24Å; L560-E562 PolarHBondContact O-N 2.86Å; L560-E564 VanDerWaalsContact O-CA 3.28Å; L560-E564 WeakPolarHBondContact O-CA 3.45Å; L560-E564 PolarHBondContact O-N 3.43Å; L560-S565 PolarHBondContact N-O 3.18Å; L560-S565 PolarHBondContact O-N 2.99Å; L560-T567 HydrophobicContact CD1-CG2 4.03Å; L560-T567 HydrophobicContact CD2-CG2 4.17Å; L560-T567 HydrophobicContact CG-CG2 4.07Å
561P96.7Very high96.8Very high18 Ų1851.2 Ų51.212%0.11727%0.271CS..THydrogen-bonded Turntrans-69.9-31.2-170.527.2-37.7000114.2I227 G230 Y559 S563 E564I227-P561 HydrophobicContact CB-CB 4.33Å; I227-P561 HydrophobicContact CG2-CB 3.84Å; I227-P561 WeakPolarHBondContact O-CB 3.46Å; G230-P561 VanDerWaalsContact C-CG 3.47Å; Y559-P561 HydrophobicContact CE1-CB 4.06Å; Y559-P561 WeakPolarHBondContact O-CD 3.46Å; P561-S563 PolarHBondContact O-N 3.26Å; P561-E564 PolarHBondContact O-N 3.05Å
562E93.6Very high96.8Very high164 Ų16444.9 Ų44.977%0.76624%0.243SC*.THydrogen-bonded Turntrans-67.7-35.2-177.5-64.8-174.4160.300112.8L560L560-E562 PolarHBondContact O-N 2.86Å
563S95Very high96.8Very high75 Ų7543.8 Ų43.852%0.52424%0.236SC..THydrogen-bonded Turntrans-102.8-4.6178.653.40000113.6P561 S565P561-S563 PolarHBondContact O-N 3.26Å; S563-S565 PolarHBondContact O-N 3.31Å; S563-S565 VanDerWaalsContact O-N 3.15Å; S563-S565 PolarHBondContact OG-OG 3.31Å
564E96.3Very high96.8Very high75 Ų7551 Ų5135%0.3527%0.27SS..THydrogen-bonded Turntrans47.833.3-168.1-53.9-162.3168.300113.7R491 Y524 Y559 L560 P561R491-E564 IonicContact CZ-OE1 2.78Å; R491-E564 IonicContact NH1-OE1 2.71Å; R491-E564 PolarHBondContact NH1-OE1 3.21Å; R491-E564 IonicContact NH1-OE2 3.69Å; R491-E564 PolarHBondContact NH1-OE2 2.8Å; R491-E564 IonicContact NH2-OE1 3.5Å; R491-E564 PolarHBondContact NH2-OE1 3.49Å; Y524-E564 VanDerWaalsContact CE1-OE2 3.3Å; Y524-E564 WeakPolarHBondContact CE1-OE2 3.29Å; Y524-E564 PolarHBondContact OH-OE2 3.25Å; Y559-E564 HydrophobicContact CE2-CB 4.29Å; Y559-E564 WeakPolarHBondContact OH-CG 3.46Å; L560-E564 VanDerWaalsContact O-CA 3.28Å; L560-E564 WeakPolarHBondContact O-CA 3.45Å; L560-E564 PolarHBondContact O-N 3.43Å; P561-E564 PolarHBondContact O-N 3.05Å
565S96.5Very high96.8Very high46 Ų4649.4 Ų49.432%0.32226%0.263SS..EExtended strand (participates in β ladder)trans-107.9156.6-175.167.30000112.2L560 S563L560-S565 PolarHBondContact N-O 3.18Å; L560-S565 PolarHBondContact O-N 2.99Å; S563-S565 PolarHBondContact O-N 3.31Å; S563-S565 VanDerWaalsContact O-N 3.15Å; S563-S565 PolarHBondContact OG-OG 3.31Å
566M97.6Very high96.7Very high34 Ų3457.5 Ų57.517%0.16730%0.296CS..EExtended strand (participates in β ladder)trans-96.8140.7172-65.9-58.1-58.500111.4V528 S529 F532 L558 Y559V528-M566 HydrophobicContact CG1-CG 3.66Å; V528-M566 HydrophobicContact CG1-SD 3.8Å; S529-M566 VanDerWaalsContact OG-CE 3.32Å; S529-M566 WeakPolarHBondContact OG-CE 3.47Å; F532-M566 HydrophobicContact CB-CB 4.18Å; F532-M566 HydrophobicContact CB-CG 3.76Å; F532-M566 HydrophobicContact CD1-CB 3.75Å; F532-M566 HydrophobicContact CD1-CE 3.91Å; F532-M566 HydrophobicContact CD1-CG 4.1Å; F532-M566 HydrophobicContact CD2-CB 3.65Å; F532-M566 HydrophobicContact CD2-CG 4.15Å; F532-M566 HydrophobicContact CE1-CB 3.94Å; F532-M566 HydrophobicContact CE1-CE 4.5Å; F532-M566 HydrophobicContact CE2-CB 3.86Å; F532-M566 HydrophobicContact CG-CB 3.59Å; F532-M566 HydrophobicContact CG-CE 4.44Å; F532-M566 HydrophobicContact CG-CG 3.75Å; F532-M566 HydrophobicContact CZ-CB 4Å; L558-M566 WeakPolarHBondContact O-CA 3.17Å; Y559-M566 HydrophobicContact CD2-SD 3.83Å; Y559-M566 HydrophobicContact CG-SD 4.3Å
567T96.1Very high96.6Very high51 Ų5162.2 Ų62.231%0.31332%0.321SS..EExtended strand (participates in β ladder)trans-133.9-177.4164.7-1680000109.6V371 L558 L560V371-T567 HydrophobicContact CG2-CG2 4.35Å; L558-T567 HydrophobicContact CB-CG2 3.85Å; L558-T567 HydrophobicContact CD2-CG2 3.9Å; L558-T567 HydrophobicContact CG-CG2 4.3Å; L558-T567 PolarHBondContact N-O 2.87Å; L558-T567 PolarHBondContact O-N 3.07Å; L560-T567 HydrophobicContact CD1-CG2 4.03Å; L560-T567 HydrophobicContact CD2-CG2 4.17Å; L560-T567 HydrophobicContact CG-CG2 4.07Å
568R95.9Very high96.5Very high102 Ų10264.9 Ų64.939%0.38533%0.331SS..EExtended strand (participates in β ladder)trans-120.5145.3179-64.4173.7178.9176.1-1.7109.7F532 N552 C555 H556F532-R568 HydrophobicContact CE1-CG 4.05Å; F532-R568 HydrophobicContact CZ-CG 4.18Å; N552-R568 PolarHBondContact O-NH1 3.49Å; C555-R568 HydrophobicContact CB-CB 4.26Å; H556-R568 WeakPolarHBondContact O-CA 3.45Å
569R96Very high96.5Very high21 Ų2169.9 Ų69.98%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-122.7138.4171.3176.7178.4169.5-83.9-10109.1D81 D377 H556D81-R569 IonicContact OD2-NH1 3.29Å; D81-R569 PolarHBondContact OD2-NH1 3.27Å; D377-R569 VanDerWaalsContact CG-NE 3.31Å; D377-R569 WeakPolarHBondContact OD1-CD 3.45Å; D377-R569 IonicContact OD1-CZ 3.73Å; D377-R569 IonicContact OD1-NE 3.74Å; D377-R569 PolarHBondContact OD1-NE 3.49Å; D377-R569 IonicContact OD1-NH2 3.87Å; D377-R569 IonicContact OD2-CZ 2.76Å; D377-R569 IonicContact OD2-NE 2.84Å; D377-R569 PolarHBondContact OD2-NE 2.62Å; D377-R569 VanDerWaalsContact OD2-NE 3.13Å; D377-R569 IonicContact OD2-NH2 3.31Å; D377-R569 PolarHBondContact OD2-NH2 2.98Å; H556-R569 HydrophobicContact CB-CB 4.26Å; H556-R569 PolarHBondContact N-O 3.17Å; H556-R569 PolarHBondContact O-N 3.05Å
570S95Very high96.4Very high101 Ų10171.2 Ų71.271%0.70638%0.375SS*.EExtended strand (participates in β ladder)trans-65.3143-179-60.40000111.6
571V96.9Very high96.5Very high17 Ų1770.1 Ų70.110%0.10337%0.368CS..  trans-74.5134.4168.7-179.10000108.7I79 M573I79-V571 HydrophobicContact CB-CG2 4.08Å; I79-V571 HydrophobicContact CG2-CG2 4.17Å; V571-M573 HydrophobicContact CG1-CG 4.33Å; V571-M573 HydrophobicContact CG1-SD 4.08Å; V571-M573 PolarHBondContact O-N 3.38Å
572N96.5Very high96.4Very high45 Ų4572.8 Ų72.824%0.24139%0.386CS..  trans-72.7110.1172.6-171.5-40.1000110.2D81 Q82 D83 E574D81-N572 HydrophobicContact CB-CB 4Å; D81-N572 WeakPolarHBondContact OD1-CB 3.21Å; D81-N572 PolarHBondContact OD1-N 3.38Å; Q82-N572 PolarHBondContact N-O 3.31Å; D83-N572 WeakPolarHBondContact OD1-CB 3.35Å; D83-N572 PolarHBondContact OD1-ND2 2.86Å; D83-N572 PolarHBondContact OD2-ND2 3.38Å; D83-N572 VanDerWaalsContact OD2-ND2 3.08Å; N572-E574 PolarHBondContact OD1-N 3.47Å
573M96.6Very high96.6Very high56 Ų5666.9 Ų66.928%0.27636%0.361SS..  trans-109.629.1178.1-62.4-71.5-73.900111.4Q82 V571 P575 A580Q82-M573 HydrophobicContact CG-SD 4.2Å; Q82-M573 VanDerWaalsContact NE2-CE 3.29Å; Q82-M573 PolarHBondContact NE2-SD 2.96Å; V571-M573 HydrophobicContact CG1-CG 4.33Å; V571-M573 HydrophobicContact CG1-SD 4.08Å; V571-M573 PolarHBondContact O-N 3.38Å; M573-P575 WeakPolarHBondContact O-CD 3.42Å; M573-A580 HydrophobicContact CB-CB 4.41Å; M573-A580 HydrophobicContact CE-CB 4.41Å; M573-A580 VanDerWaalsContact O-CB 3.22Å; M573-A580 WeakPolarHBondContact O-CB 3.16Å
574E96.8Very high96.6Very high161 Ų16169.1 Ų69.175%0.75236%0.362SS*.  trans-123.964.1-175.4-59.9-172.2164.200112.3N572N572-E574 PolarHBondContact OD1-N 3.47Å
575P97.3Very high96.3Very high16 Ų1672.6 Ų72.610%0.10438%0.381CS..  trans-62.2151.4170.122.3-23.5000111.2M69 Q82 E86 M573 R578 A580M69-P575 HydrophobicContact CE-CB 3.8Å; M69-P575 HydrophobicContact CE-CG 4.04Å; Q82-P575 HydrophobicContact CB-CB 4.38Å; Q82-P575 HydrophobicContact CB-CG 4.04Å; E86-P575 HydrophobicContact CB-CB 4.25Å; E86-P575 WeakPolarHBondContact OE1-CB 3.47Å; M573-P575 WeakPolarHBondContact O-CD 3.42Å; P575-R578 WeakPolarHBondContact CG-O 3.4Å; P575-A580 HydrophobicContact CG-CB 4.07Å
576K96.9Very high96Very high181 Ų18171.9 Ų71.979%0.78737%0.372SS*.SBendtrans-88.7-29.4-167.9-62.4-179.3179.6177.50113.6E86E86-K576 PolarHBondContact OE1-N 3.04Å; E86-K576 WeakPolarHBondContact OE2-CA 3.32Å; E86-K576 WeakPolarHBondContact OE2-CB 3.38Å; E86-K576 PolarHBondContact OE2-N 2.67Å
577L97.2Very high95.4Very high99 Ų9974.5 Ų74.552%0.51839%0.389SS..SBendtrans-103.4-11.4-170.9-57.4175.2000113.3W65 E86 K90W65-L577 HydrophobicContact CH2-CB 4.35Å; W65-L577 HydrophobicContact CH2-CD1 4.16Å; W65-L577 HydrophobicContact CZ2-CD1 4.19Å; E86-L577 WeakPolarHBondContact OE1-CA 3.35Å; E86-L577 VanDerWaalsContact OE1-CB 3.3Å; E86-L577 WeakPolarHBondContact OE1-CB 3.28Å; E86-L577 PolarHBondContact OE1-N 2.67Å; E86-L577 PolarHBondContact OE2-N 3.06Å; K90-L577 HydrophobicContact CD-CD1 3.52Å; K90-L577 VanDerWaalsContact CE-CD1 3.48Å; K90-L577 HydrophobicContact CG-CD1 4.47Å
578R95.6Very high94.6Very high57 Ų5773.5 Ų73.522%0.21538%0.38CS..SBendtrans-153.6164.517961.7163.6-64.2142.83.6111.8E66 M69 P575E66-R578 IonicContact OE2-CZ 3.57Å; E66-R578 IonicContact OE2-NH1 3.49Å; E66-R578 PolarHBondContact OE2-NH1 3.48Å; M69-R578 HydrophobicContact CE-CG 4.44Å; M69-R578 HydrophobicContact SD-CG 4.32Å; P575-R578 WeakPolarHBondContact CG-O 3.4Å
579P97.4Very high94.6Very high106 Ų10672.1 Ų72.169%0.68838%0.38SS*.  trans-62.5145.5166.7-21.233.5000111.7
580A97.8Very high94.5Very high29 Ų2974.7 Ų74.724%0.2440%0.396CS..  trans-58.8148.2174.700000112.4M573 P575 P582M573-A580 HydrophobicContact CB-CB 4.41Å; M573-A580 HydrophobicContact CE-CB 4.41Å; M573-A580 VanDerWaalsContact O-CB 3.22Å; M573-A580 WeakPolarHBondContact O-CB 3.16Å; P575-A580 HydrophobicContact CG-CB 4.07Å; A580-P582 WeakPolarHBondContact O-CD 3.47Å
581F97.8Very high94.4Very high18 Ų1873.3 Ų73.38%0.07938%0.378CS..  trans-78.8115.8168.8-61.5-75.1000109M69 Y70 V73 Q82 F126M69-F581 HydrophobicContact CB-CE2 4.46Å; M69-F581 HydrophobicContact CE-CD2 4.32Å; M69-F581 HydrophobicContact CE-CE2 4.09Å; M69-F581 HydrophobicContact CG-CE2 3.95Å; M69-F581 HydrophobicContact SD-CE2 3.93Å; Y70-F581 AromaticContact CD2-CD1 3.63Å; Y70-F581 HydrophobicContact CD2-CD1 3.63Å; Y70-F581 AromaticContact CD2-CE1 3.6Å; Y70-F581 HydrophobicContact CD2-CE1 3.6Å; Y70-F581 HydrophobicContact CD2-CG 4.16Å; Y70-F581 HydrophobicContact CD2-CZ 4.12Å; Y70-F581 HydrophobicContact CE2-CD1 4.35Å; Y70-F581 HydrophobicContact CG-CE1 4.26Å; Y70-F581 HydrophobicContact CG-CZ 4.4Å; V73-F581 HydrophobicContact CB-CD2 4.29Å; V73-F581 HydrophobicContact CG1-CB 4.02Å; V73-F581 HydrophobicContact CG2-CD2 4.09Å; Q82-F581 PolarHBondContact NE2-O 2.87Å; F126-F581 AromaticContact CD1-CE1 3.97Å; F126-F581 HydrophobicContact CD1-CE1 3.97Å; F126-F581 HydrophobicContact CD1-CZ 4.13Å; F126-F581 HydrophobicContact CE1-CE1 4.08Å; F126-F581 AromaticContact CE1-CZ 3.95Å; F126-F581 HydrophobicContact CE1-CZ 3.95Å
582P96.7Very high94.3Very high74 Ų7476.6 Ų76.648%0.48140%0.395SS..  trans-71.6154.4179.630.2-35.3000111Y78 A580 K584Y78-P582 VanDerWaalsContact CE1-O 3.24Å; Y78-P582 WeakPolarHBondContact CE1-O 3.38Å; A580-P582 WeakPolarHBondContact O-CD 3.47Å; P582-K584 PolarHBondContact O-N 3.34Å
583P96.3Very high94.2Very high40 Ų4078.6 Ų78.626%0.2640%0.404SS..  trans-52.3134.9171.3-24.333.2000112.1Y78 D550 L554Y78-P583 HydrophobicContact CD1-CB 4.36Å; Y78-P583 HydrophobicContact CD2-CB 4.25Å; Y78-P583 HydrophobicContact CG-CB 4.02Å; Y78-P583 HydrophobicContact CG-CG 4.3Å; D550-P583 WeakPolarHBondContact OD2-CB 3.4Å; L554-P583 HydrophobicContact CD1-CG 4.03Å; L554-P583 HydrophobicContact CD2-CG 3.76Å
584K94.7Very high94Very high122 Ų12280.1 Ų80.153%0.5341%0.413SS..  trans-137.7161.2172.3-62.7-177.4-177.6179.40109Y78 R548 P582 R586Y78-K584 WeakPolarHBondContact CE2-O 3.3Å; Y78-K584 VanDerWaalsContact CZ-N 3.34Å; Y78-K584 PolarHBondContact OH-N 3Å; R548-K584 PolarHBondContact NH1-O 3.05Å; R548-K584 PolarHBondContact NH2-O 2.77Å; R548-K584 VanDerWaalsContact NH2-O 3.13Å; P582-K584 PolarHBondContact O-N 3.34Å; K584-R586 PolarHBondContact O-N 3.25Å; K584-R586 VanDerWaalsContact O-N 3.13Å
585I91Very high93.8Very high148 Ų14874.3 Ų74.376%0.75939%0.389SS*.  trans-54.5123.7171.8-56.8178.1000108.7T587I585-T587 HydrophobicContact CG2-CG2 3.89Å; I585-T587 PolarHBondContact O-N 3.46Å
586R89.9Confident93.5Very high32 Ų3278.8 Ų78.812%0.12141%0.41CS..  trans-93.198.2-176.8-177.4177.3174.5-92.63.6110K74 G75 D77 D287 N398 K584 Y588K74-R586 HydrophobicContact CG-CG 4.35Å; K74-R586 WeakPolarHBondContact O-CD 3.42Å; K74-R586 PolarHBondContact O-NE 3.2Å; G75-R586 PolarHBondContact O-NH2 3.23Å; D77-R586 WeakPolarHBondContact OD1-CD 3.4Å; D287-R586 IonicContact OD1-CZ 2.84Å; D287-R586 IonicContact OD1-NH1 2.87Å; D287-R586 PolarHBondContact OD1-NH1 3.26Å; D287-R586 IonicContact OD1-NH2 3.31Å; D287-R586 PolarHBondContact OD1-NH2 3.48Å; D287-R586 IonicContact OD2-CZ 2.86Å; D287-R586 IonicContact OD2-NH1 3.69Å; D287-R586 PolarHBondContact OD2-NH1 2.8Å; D287-R586 IonicContact OD2-NH2 3.06Å; N398-R586 PolarHBondContact ND2-NH2 3.33Å; K584-R586 PolarHBondContact O-N 3.25Å; K584-R586 VanDerWaalsContact O-N 3.13Å; R586-Y588 HydrophobicContact CG-CE2 4.04Å; R586-Y588 PolarHBondContact NH2-OH 3.49Å
587T85.9Confident93.3Very high88 Ų8870.3 Ų70.354%0.5438%0.379SS..  trans-119.5157.5174.4590000112.1K74 I585K74-T587 WeakPolarHBondContact CE-O 3.5Å; K74-T587 PolarHBondContact NZ-O 3.3Å; I585-T587 HydrophobicContact CG2-CG2 3.89Å; I585-T587 PolarHBondContact O-N 3.46Å
588Y78.9Confident92.9Very high30 Ų3067.6 Ų67.612%0.11837%0.366CS..  trans-130.10-179.7-74.2-84.8000111.8A277 N279 A280 A284 V288 R586A277-Y588 WeakPolarHBondContact CA-O 3.24Å; N279-Y588 WeakPolarHBondContact CB-OXT 3.33Å; A280-Y588 HydrophobicContact CB-CD1 4.26Å; A280-Y588 WeakPolarHBondContact CB-OXT 2.79Å; A280-Y588 PolarHBondContact N-OXT 2.9Å; A284-Y588 HydrophobicContact CB-CD1 4.39Å; A284-Y588 HydrophobicContact CB-CG 4.01Å; V288-Y588 HydrophobicContact CG2-CD2 3.93Å; V288-Y588 HydrophobicContact CG2-CE2 4.28Å; R586-Y588 HydrophobicContact CG-CE2 4.04Å; R586-Y588 PolarHBondContact NH2-OH 3.49Å

Retrieved 588 of 588 residues in 1758.7 ms (Link to these results)

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