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Tubulin alpha chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession G4V865, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 452 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68.3Low93.1Very high109 Ų10930.6 Ų30.654%0.53714%0.138SC..  0159.80-162174.5-85.300108.2E3 N50 T130M1-E3 HydrophobicContact CB-CG 4.16Å; M1-E3 HydrophobicContact CG-CG 4Å; M1-E3 HydrophobicContact SD-CG 3.99Å; M1-N50 HydrophobicContact CE-CB 3.65Å; M1-N50 HydrophobicContact CG-CB 4.46Å; M1-N50 HydrophobicContact SD-CB 3.24Å; M1-N50 WeakPolarHBondContact SD-CB 3.48Å; M1-T130 WeakPolarHBondContact CB-OG1 2.96Å
2R83Confident93.4Very high113 Ų11330.2 Ų30.243%0.42614%0.144SC..  trans-103.362.1-175.8-67.1-170171.8-171-4.5110.4T51 Q133R2-T51 WeakPolarHBondContact O-CG2 3.32Å; R2-Q133 HydrophobicContact CB-CG 4.11Å; R2-Q133 VanDerWaalsContact CB-NE2 3.34Å; R2-Q133 VanDerWaalsContact CD-NE2 3.3Å
3E92.8Very high93.8Very high2 Ų227.8 Ų27.81%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-78.1141.6-169.1-66.7142.7116.200112.2M1 T51 R64 C129 T130 G131 L132 Q133M1-E3 HydrophobicContact CB-CG 4.16Å; M1-E3 HydrophobicContact CG-CG 4Å; M1-E3 HydrophobicContact SD-CG 3.99Å; E3-T51 WeakPolarHBondContact CA-O 3.41Å; E3-R64 IonicContact OE1-CZ 3.07Å; E3-R64 IonicContact OE1-NH1 2.63Å; E3-R64 IonicContact OE1-NH2 3Å; E3-R64 PolarHBondContact OE1-NH2 2.98Å; E3-C129 HydrophobicContact CB-CB 4.03Å; E3-C129 WeakPolarHBondContact OE1-CA 3.43Å; E3-T130 VanDerWaalsContact CD-N 3.31Å; E3-T130 PolarHBondContact OE1-N 3.01Å; E3-T130 VanDerWaalsContact OE1-N 3.08Å; E3-T130 WeakPolarHBondContact OE2-CA 3.4Å; E3-T130 PolarHBondContact OE2-N 3.34Å; E3-T130 PolarHBondContact OE2-OG1 2.92Å; E3-G131 PolarHBondContact N-O 3.47Å; E3-G131 VanDerWaalsContact N-O 3.17Å; E3-G131 PolarHBondContact OE2-N 2.86Å; E3-L132 CarbonylContact O-C 3.46Å; E3-L132 WeakPolarHBondContact O-CA 3.44Å; E3-Q133 PolarHBondContact O-N 3.37Å
4C94.9Very high94.1Very high0 Ų025.9 Ų25.90%012%0.123CC..EExtended strand (participates in β ladder)trans-129147.4177.9-61.30000110.3T51 F52 R64 L252C4-T51 PolarHBondContact N-O 3.45Å; C4-F52 HydrophobicContact CB-CD1 4.32Å; C4-F52 HydrophobicContact CB-CE1 3.71Å; C4-F52 HydrophobicContact CB-CZ 4.09Å; C4-R64 WeakPolarHBondContact O-CB 3.44Å; C4-L252 VanDerWaalsContact SG-CD1 3.57Å
5I97.6Very high94.3Very high0 Ų027 Ų270%013%0.128CC..EExtended strand (participates in β ladder)trans-108.4126.2174.5-65.4166.6000108.4I7 R64 L125 A126 L132 G134 F135 L136I5-I7 HydrophobicContact CG2-CG1 4.22Å; I5-R64 WeakPolarHBondContact CA-O 3.36Å; I5-L125 HydrophobicContact CD1-CB 3.7Å; I5-L125 HydrophobicContact CG1-CB 4.22Å; I5-L125 HydrophobicContact CG2-CD1 4.32Å; I5-A126 HydrophobicContact CD1-CB 4.16Å; I5-L132 HydrophobicContact CB-CD1 4.46Å; I5-L132 HydrophobicContact CD1-CD1 3.78Å; I5-L132 HydrophobicContact CD1-CD2 4.25Å; I5-L132 HydrophobicContact CG1-CD1 3.83Å; I5-G134 PolarHBondContact N-O 3.41Å; I5-G134 VanDerWaalsContact N-O 3.15Å; I5-F135 HydrophobicContact CB-CD1 3.89Å; I5-F135 HydrophobicContact CB-CE1 4.14Å; I5-F135 HydrophobicContact CD1-CE1 3.99Å; I5-F135 HydrophobicContact CG2-CD1 4.21Å; I5-F135 HydrophobicContact CG2-CE1 4.47Å; I5-F135 CarbonylContact O-C 3.56Å; I5-F135 VanDerWaalsContact O-CA 3.28Å; I5-F135 WeakPolarHBondContact O-CA 3.45Å; I5-L136 PolarHBondContact O-N 3.49Å
6S98.4Very high94.5Very high1 Ų125.4 Ų25.41%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-94.6131.3174.4-53.30000110.6H8 R64 A65 V66 L136S6-H8 WeakPolarHBondContact CB-NE2 3.46Å; S6-R64 PolarHBondContact N-O 3.15Å; S6-A65 CarbonylContact O-C 3.55Å; S6-A65 WeakPolarHBondContact O-CA 3.42Å; S6-V66 PolarHBondContact O-N 3.3Å; S6-L136 CarbonylContact C-O 3.46Å; S6-L136 WeakPolarHBondContact CA-O 3.3Å
7I98.7Very high94.7Very high0 Ų023.9 Ų23.90%011%0.113CC..EExtended strand (participates in β ladder)trans-119.3113.5-179.9-51173.4000107.6I5 V9 V66 I122 F135 L136 L137 F138 L153 L157I5-I7 HydrophobicContact CG2-CG1 4.22Å; I7-V9 HydrophobicContact CG2-CG2 3.73Å; I7-V66 WeakPolarHBondContact CA-O 3.42Å; I7-I122 HydrophobicContact CD1-CD1 3.63Å; I7-I122 HydrophobicContact CD1-CG1 4.33Å; I7-I122 HydrophobicContact CG1-CD1 4.33Å; I7-F135 HydrophobicContact CD1-CB 4.23Å; I7-F135 HydrophobicContact CD1-CD1 3.82Å; I7-F135 HydrophobicContact CD1-CG 4.27Å; I7-F135 HydrophobicContact CG1-CD1 4.48Å; I7-L136 PolarHBondContact N-O 3.34Å; I7-L137 HydrophobicContact CB-CG 4.4Å; I7-L137 HydrophobicContact CD1-CG 4.45Å; I7-L137 CarbonylContact O-C 3.09Å; I7-L137 WeakPolarHBondContact O-CA 3.38Å; I7-F138 PolarHBondContact O-N 2.72Å; I7-L153 HydrophobicContact CD1-CD2 4.48Å; I7-L153 HydrophobicContact CG2-CD2 3.8Å; I7-L157 HydrophobicContact CD1-CD1 3.7Å
8H98.8Very high94.8Very high1 Ų124.9 Ų24.91%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-105.6111.8-176.7-62.1-77.8000109S6 G13 G17 W21 V66 F67 V68 F138S6-H8 WeakPolarHBondContact CB-NE2 3.46Å; H8-G13 PolarHBondContact ND1-O 3.46Å; H8-G17 WeakPolarHBondContact CE1-CA 3.45Å; H8-G17 WeakPolarHBondContact ND1-CA 3.19Å; H8-W21 AromaticContact CD2-NE1 3.82Å; H8-W21 AromaticContact CE1-NE1 4Å; H8-W21 AromaticContact NE2-NE1 3.15Å; H8-W21 PolarHBondContact NE2-NE1 3.41Å; H8-W21 VanDerWaalsContact NE2-NE1 3.15Å; H8-V66 PolarHBondContact N-O 2.69Å; H8-F67 HydrophobicContact CB-CD1 3.56Å; H8-F67 HydrophobicContact CB-CE1 3.84Å; H8-F67 HydrophobicContact CB-CG 4.12Å; H8-F67 AromaticContact CD2-CE1 3.79Å; H8-F67 AromaticContact CD2-CE2 3.95Å; H8-F67 AromaticContact CD2-CZ 3.68Å; H8-F67 AromaticContact CG-CD1 3.99Å; H8-F67 AromaticContact CG-CE1 3.75Å; H8-F67 WeakPolarHBondContact O-CA 3.28Å; H8-V68 PolarHBondContact O-N 2.89Å; H8-F138 AromaticContact CE1-CD2 3.15Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.48Å; H8-F138 AromaticContact CE1-CE2 3.43Å; H8-F138 VanDerWaalsContact CE1-CE2 3.43Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.34Å; H8-F138 AromaticContact CE1-CG 3.52Å; H8-F138 AromaticContact CE1-CZ 4Å; H8-F138 WeakPolarHBondContact ND1-CB 3.39Å; H8-F138 AromaticContact ND1-CD2 3.37Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.33Å; H8-F138 AromaticContact ND1-CG 3.4Å; H8-F138 WeakPolarHBondContact ND1-CG 3.43Å; H8-F138 AromaticContact NE2-CD2 3.94Å
9V98.6Very high94.9Very high1 Ų124.3 Ų24.31%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-119.5127.3-168.9-175.40000112I7 G13 V68 F138 H139 T145 F149 T150 L153I7-V9 HydrophobicContact CG2-CG2 3.73Å; V9-G13 PolarHBondContact O-N 3.09Å; V9-V68 WeakPolarHBondContact CA-O 3.48Å; V9-F138 PolarHBondContact N-O 3.33Å; V9-H139 HydrophobicContact CB-CB 4.37Å; V9-T145 HydrophobicContact CG1-CG2 3.89Å; V9-F149 HydrophobicContact CG1-CD1 3.67Å; V9-F149 HydrophobicContact CG1-CE1 4.45Å; V9-T150 WeakPolarHBondContact CB-OG1 3.29Å; V9-T150 VanDerWaalsContact CG1-OG1 3.26Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.45Å; V9-L153 HydrophobicContact CG2-CD2 4.46Å
10G97.6Very high95Very high2 Ų223.2 Ų23.22%0.02111%0.114CC..Hα-helixtrans70.1176.6179.700000113.3A12 G13 V14 V68 D69G10-A12 PolarHBondContact O-N 3.32Å; G10-G13 PolarHBondContact O-N 3.27Å; G10-G13 VanDerWaalsContact O-N 3.17Å; G10-V14 WeakPolarHBondContact O-CG2 3.27Å; G10-V14 PolarHBondContact O-N 3.19Å; G10-V68 PolarHBondContact N-O 2.7Å; G10-D69 VanDerWaalsContact C-OD2 3.29Å; G10-D69 WeakPolarHBondContact CA-OD2 3.46Å
11Q96Very high95.1Very high108 Ų10822.1 Ų22.151%0.50511%0.109SC..Hα-helixtrans-48-53.5-177.5-172.8-179.4-3200114.1Q15 D69 V74Q11-Q15 WeakPolarHBondContact O-CB 3.31Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.49Å; Q11-Q15 PolarHBondContact O-N 3.3Å; Q11-D69 PolarHBondContact N-OD2 3.27Å; Q11-V74 HydrophobicContact CG-CB 4.47Å; Q11-V74 HydrophobicContact CG-CG2 4.18Å
12A96.2Very high96.4Very high25 Ų2518.9 Ų18.921%0.2079%0.092CC..Hα-helixtrans-62.6-48.3-179.200000111.8G10 V14 Q15 I16 I171G10-A12 PolarHBondContact O-N 3.32Å; A12-V14 PolarHBondContact O-N 2.97Å; A12-Q15 PolarHBondContact O-N 3.37Å; A12-I16 WeakPolarHBondContact O-CB 3.5Å; A12-I16 WeakPolarHBondContact O-CD1 3.3Å; A12-I16 WeakPolarHBondContact O-CG1 3.19Å; A12-I16 PolarHBondContact O-N 3.37Å; A12-I171 HydrophobicContact CB-CG1 4.25Å
13G98.1Very high97Very high0 Ų013.7 Ų13.70%07%0.073CC..Hα-helixtrans-59.2-47.5-179.800000112.4H8 V9 G10 Q15 I16 G17 F138H8-G13 PolarHBondContact ND1-O 3.46Å; V9-G13 PolarHBondContact O-N 3.09Å; G10-G13 PolarHBondContact O-N 3.27Å; G10-G13 VanDerWaalsContact O-N 3.17Å; G13-Q15 PolarHBondContact O-N 2.9Å; G13-I16 PolarHBondContact O-N 3Å; G13-G17 PolarHBondContact O-N 2.63Å; G13-F138 VanDerWaalsContact CA-O 3.23Å; G13-F138 WeakPolarHBondContact CA-O 3.37Å
14V98.3Very high97.1Very high0 Ų013.7 Ų13.70%07%0.073CC..Hα-helixtrans-63.2-43.8179.1173.60000111.7G10 A12 G17 N18 F67 V74 V75 V78G10-V14 WeakPolarHBondContact O-CG2 3.27Å; G10-V14 PolarHBondContact O-N 3.19Å; A12-V14 PolarHBondContact O-N 2.97Å; V14-G17 PolarHBondContact O-N 2.8Å; V14-N18 PolarHBondContact O-N 3.17Å; V14-F67 HydrophobicContact CB-CD1 4.21Å; V14-F67 HydrophobicContact CG1-CD1 3.89Å; V14-F67 HydrophobicContact CG1-CE1 4.43Å; V14-F67 HydrophobicContact CG2-CB 4.46Å; V14-F67 HydrophobicContact CG2-CD1 4.08Å; V14-V74 HydrophobicContact CB-CG1 3.92Å; V14-V74 HydrophobicContact CB-CG2 3.92Å; V14-V74 HydrophobicContact CG1-CB 4.37Å; V14-V74 HydrophobicContact CG1-CG1 4.02Å; V14-V74 HydrophobicContact CG1-CG2 3.73Å; V14-V74 HydrophobicContact CG2-CG1 3.98Å; V14-V75 HydrophobicContact CG1-CG2 4.46Å; V14-V75 HydrophobicContact CG2-CG2 4.03Å; V14-V78 HydrophobicContact CG1-CG2 3.7Å
15Q97.5Very high97.1Very high43 Ų4313.8 Ų13.820%0.2017%0.073CC..Hα-helixtrans-69.4-37.6-179.7-70179.5-22.600112.8Q11 A12 G13 G17 A19 V74 N228Q11-Q15 WeakPolarHBondContact O-CB 3.31Å; Q11-Q15 VanDerWaalsContact O-CG 3.25Å; Q11-Q15 WeakPolarHBondContact O-CG 3.49Å; Q11-Q15 PolarHBondContact O-N 3.3Å; A12-Q15 PolarHBondContact O-N 3.37Å; G13-Q15 PolarHBondContact O-N 2.9Å; Q15-G17 VanDerWaalsContact C-N 3.33Å; Q15-A19 PolarHBondContact O-N 3.03Å; Q15-V74 HydrophobicContact CG-CG2 3.66Å; Q15-N228 WeakPolarHBondContact CB-ND2 3.48Å
16I98.1Very high97Very high1 Ų116.8 Ų16.81%0.0059%0.089CC..Hα-helixtrans-63.7-44.1171.1-66.4162.2000109.6A12 G13 N18 A19 C20 F138 I171 N228 I231A12-I16 WeakPolarHBondContact O-CB 3.5Å; A12-I16 WeakPolarHBondContact O-CD1 3.3Å; A12-I16 WeakPolarHBondContact O-CG1 3.19Å; A12-I16 PolarHBondContact O-N 3.37Å; G13-I16 PolarHBondContact O-N 3Å; I16-N18 VanDerWaalsContact C-N 3.35Å; I16-N18 PolarHBondContact O-N 3.41Å; I16-A19 PolarHBondContact O-N 3.23Å; I16-A19 VanDerWaalsContact O-N 3.13Å; I16-C20 PolarHBondContact O-N 2.77Å; I16-C20 PolarHBondContact O-SG 2.99Å; I16-F138 HydrophobicContact CG2-CD1 3.72Å; I16-F138 HydrophobicContact CG2-CE1 4.27Å; I16-I171 HydrophobicContact CD1-CD1 3.64Å; I16-I171 HydrophobicContact CD1-CG1 3.72Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.41Å; I16-I231 HydrophobicContact CD1-CD1 4.3Å; I16-I231 HydrophobicContact CG1-CD1 4.26Å; I16-I231 HydrophobicContact CG2-CG2 3.74Å
17G97.6Very high96.7Very high0 Ų017.5 Ų17.50%09%0.092CC..Hα-helixtrans-54.2-48.2176.600000112.7H8 G13 V14 Q15 A19 C20 W21H8-G17 WeakPolarHBondContact CE1-CA 3.45Å; H8-G17 WeakPolarHBondContact ND1-CA 3.19Å; G13-G17 PolarHBondContact O-N 2.63Å; V14-G17 PolarHBondContact O-N 2.8Å; Q15-G17 VanDerWaalsContact C-N 3.33Å; G17-A19 VanDerWaalsContact C-N 3.31Å; G17-A19 PolarHBondContact O-N 2.8Å; G17-C20 PolarHBondContact O-N 3.01Å; G17-C20 VanDerWaalsContact O-N 3.12Å; G17-W21 PolarHBondContact O-N 2.87Å
18N96.2Very high96.4Very high43 Ų4318.3 Ų18.323%0.2310%0.096CC..Hα-helixtrans-54.1-45.8176-85.2-28.3000112.7V14 I16 E22V14-N18 PolarHBondContact O-N 3.17Å; I16-N18 VanDerWaalsContact C-N 3.35Å; I16-N18 PolarHBondContact O-N 3.41Å; N18-E22 WeakPolarHBondContact O-CB 3.14Å; N18-E22 PolarHBondContact O-N 3.46Å
19A96.3Very high96Very high12 Ų1218.9 Ų18.910%0.09910%0.102CC..Hα-helixtrans-67-38.2178.300000112.3Q15 I16 G17 L23 N228Q15-A19 PolarHBondContact O-N 3.03Å; I16-A19 PolarHBondContact O-N 3.23Å; I16-A19 VanDerWaalsContact O-N 3.13Å; G17-A19 VanDerWaalsContact C-N 3.31Å; G17-A19 PolarHBondContact O-N 2.8Å; A19-L23 PolarHBondContact O-N 2.75Å; A19-N228 HydrophobicContact CB-CB 3.93Å; A19-N228 WeakPolarHBondContact CB-O 3.36Å
20C97Very high95.8Very high3 Ų319.1 Ų19.12%0.0210%0.103CC..Hα-helixtrans-66.9-45.8178.7-64.50000112.1I16 G17 L23 Y24 V235I16-C20 PolarHBondContact O-N 2.77Å; I16-C20 PolarHBondContact O-SG 2.99Å; G17-C20 PolarHBondContact O-N 3.01Å; G17-C20 VanDerWaalsContact O-N 3.12Å; C20-L23 WeakPolarHBondContact O-CB 3.23Å; C20-L23 PolarHBondContact O-N 3.49Å; C20-Y24 PolarHBondContact O-N 3.41Å; C20-V235 HydrophobicContact CB-CG1 4.46Å
21W97.2Very high95.6Very high1 Ų123.3 Ų23.30%0.00412%0.123CC..Hα-helixtrans-72.4-33.2-179.3-69.7108.5000112.7H8 G17 L23 Y24 C25 F52 F53 P63 A65 F67 F87H8-W21 AromaticContact CD2-NE1 3.82Å; H8-W21 AromaticContact CE1-NE1 4Å; H8-W21 AromaticContact NE2-NE1 3.15Å; H8-W21 PolarHBondContact NE2-NE1 3.41Å; H8-W21 VanDerWaalsContact NE2-NE1 3.15Å; G17-W21 PolarHBondContact O-N 2.87Å; W21-L23 VanDerWaalsContact C-N 3.27Å; W21-L23 PolarHBondContact O-N 3.49Å; W21-Y24 HydrophobicContact CD2-CD2 4.27Å; W21-Y24 AromaticContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CH2-CD2 4.32Å; W21-Y24 AromaticContact CZ3-CD2 3.75Å; W21-Y24 HydrophobicContact CZ3-CD2 3.75Å; W21-Y24 HydrophobicContact CZ3-CE2 4.4Å; W21-Y24 PolarHBondContact O-N 3.18Å; W21-C25 WeakPolarHBondContact O-CB 3.44Å; W21-C25 PolarHBondContact O-N 3.42Å; W21-C25 PolarHBondContact O-SG 2.96Å; W21-C25 VanDerWaalsContact O-SG 3.42Å; W21-F52 HydrophobicContact CH2-CB 3.97Å; W21-F52 HydrophobicContact CH2-CD1 4.35Å; W21-F52 WeakPolarHBondContact CH2-O 3.32Å; W21-F52 HydrophobicContact CZ3-CB 4.07Å; W21-F53 HydrophobicContact CE3-CE1 4.12Å; W21-F53 HydrophobicContact CE3-CE2 4.38Å; W21-F53 AromaticContact CE3-CZ 3.75Å; W21-F53 HydrophobicContact CE3-CZ 3.75Å; W21-F53 HydrophobicContact CZ3-CD2 4.48Å; W21-F53 HydrophobicContact CZ3-CE1 4.03Å; W21-F53 AromaticContact CZ3-CE2 3.95Å; W21-F53 HydrophobicContact CZ3-CE2 3.95Å; W21-F53 AromaticContact CZ3-CZ 3.7Å; W21-F53 HydrophobicContact CZ3-CZ 3.7Å; W21-P63 HydrophobicContact CD2-CB 4.05Å; W21-P63 HydrophobicContact CD2-CG 4.19Å; W21-P63 HydrophobicContact CE3-CB 3.78Å; W21-P63 HydrophobicContact CE3-CG 3.78Å; W21-P63 HydrophobicContact CH2-CB 3.65Å; W21-P63 HydrophobicContact CZ2-CB 3.92Å; W21-P63 HydrophobicContact CZ3-CB 3.56Å; W21-P63 HydrophobicContact CZ3-CG 3.96Å; W21-A65 HydrophobicContact CH2-CB 4.44Å; W21-A65 HydrophobicContact CZ2-CB 3.57Å; W21-F67 AromaticContact CD1-CZ 3.59Å; W21-F67 AromaticContact NE1-CZ 3.73Å; W21-F87 HydrophobicContact CB-CE1 4.26Å; W21-F87 HydrophobicContact CB-CZ 3.81Å; W21-F87 AromaticContact CD1-CE1 3.74Å; W21-F87 AromaticContact CD1-CZ 3.82Å; W21-F87 HydrophobicContact CD2-CE1 4.17Å; W21-F87 AromaticContact CG-CE1 3.8Å; W21-F87 HydrophobicContact CG-CE1 3.8Å; W21-F87 AromaticContact CG-CZ 3.81Å; W21-F87 HydrophobicContact CG-CZ 3.81Å
22E96.2Very high95.6Very high41 Ų4120 Ų2019%0.19211%0.111CC..Hα-helixtrans-53.8-48.3167.5170.5170.5-124.400110.2N18 C25 L26 Y83 R229 V363N18-E22 WeakPolarHBondContact O-CB 3.14Å; N18-E22 PolarHBondContact O-N 3.46Å; E22-C25 PolarHBondContact O-N 2.9Å; E22-L26 HydrophobicContact CG-CD1 4.27Å; E22-L26 VanDerWaalsContact O-CG 3.32Å; E22-L26 WeakPolarHBondContact O-CG 3.49Å; E22-L26 PolarHBondContact O-N 3.48Å; E22-L26 VanDerWaalsContact O-N 3.1Å; E22-Y83 HydrophobicContact CB-CE2 3.79Å; E22-Y83 HydrophobicContact CG-CE2 4.02Å; E22-Y83 WeakPolarHBondContact CG-OH 3.35Å; E22-R229 IonicContact OE2-NE 3.79Å; E22-R229 IonicContact OE2-NH2 3.74Å; E22-V363 HydrophobicContact CG-CG1 4.34Å; E22-V363 HydrophobicContact CG-CG2 3.98Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.36Å
23L95Very high95.5Very high4 Ų421.6 Ų21.62%0.02112%0.116CC..Hα-helixtrans-66.5-45179.5-175.158.2000112.7A19 C20 W21 C25 L26 E27 G232 T361A19-L23 PolarHBondContact O-N 2.75Å; C20-L23 WeakPolarHBondContact O-CB 3.23Å; C20-L23 PolarHBondContact O-N 3.49Å; W21-L23 VanDerWaalsContact C-N 3.27Å; W21-L23 PolarHBondContact O-N 3.49Å; L23-C25 VanDerWaalsContact C-N 3.32Å; L23-C25 PolarHBondContact O-N 3.35Å; L23-L26 PolarHBondContact O-N 2.73Å; L23-E27 HydrophobicContact CD1-CG 4.25Å; L23-E27 HydrophobicContact CG-CG 4.4Å; L23-E27 WeakPolarHBondContact O-CG 3.35Å; L23-E27 PolarHBondContact O-N 2.82Å; L23-G232 WeakPolarHBondContact CD2-O 3.48Å; L23-T361 HydrophobicContact CD1-CG2 4.07Å; L23-T361 WeakPolarHBondContact CD1-O 3.32Å
24Y95.2Very high95.3Very high2 Ų221.6 Ų21.61%0.00812%0.116CC..Hα-helixtrans-60.5-41.2176.8-70.8-6.8000112.3C20 W21 L26 E27 H28 F52 V235 T239C20-Y24 PolarHBondContact O-N 3.41Å; W21-Y24 HydrophobicContact CD2-CD2 4.27Å; W21-Y24 AromaticContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CE3-CD2 3.7Å; W21-Y24 HydrophobicContact CH2-CD2 4.32Å; W21-Y24 AromaticContact CZ3-CD2 3.75Å; W21-Y24 HydrophobicContact CZ3-CD2 3.75Å; W21-Y24 HydrophobicContact CZ3-CE2 4.4Å; W21-Y24 PolarHBondContact O-N 3.18Å; Y24-L26 PolarHBondContact O-N 2.88Å; Y24-E27 PolarHBondContact O-N 3.5Å; Y24-H28 PolarHBondContact O-CD2 2.83Å; Y24-H28 VanDerWaalsContact O-CD2 3.22Å; Y24-H28 PolarHBondContact O-N 3.34Å; Y24-F52 HydrophobicContact CE2-CD1 4.3Å; Y24-F52 HydrophobicContact CE2-CG 4.31Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.41Å; Y24-T239 WeakPolarHBondContact OH-CB 3.04Å; Y24-T239 VanDerWaalsContact OH-CG2 3.23Å; Y24-T239 WeakPolarHBondContact OH-CG2 3.28Å; Y24-T239 PolarHBondContact OH-OG1 2.98Å
25C95.3Very high95Very high1 Ų125.4 Ų25.41%0.00713%0.133CC..Hα-helixtrans-59.7-46.1174.5-81.20000111.6W21 E22 L23 H28 G29 I30 Y83 L86W21-C25 WeakPolarHBondContact O-CB 3.44Å; W21-C25 PolarHBondContact O-N 3.42Å; W21-C25 PolarHBondContact O-SG 2.96Å; W21-C25 VanDerWaalsContact O-SG 3.42Å; E22-C25 PolarHBondContact O-N 2.9Å; L23-C25 VanDerWaalsContact C-N 3.32Å; L23-C25 PolarHBondContact O-N 3.35Å; C25-H28 PolarHBondContact O-N 2.82Å; C25-G29 CarbonylContact O-C 3.59Å; C25-G29 WeakPolarHBondContact O-CA 3.38Å; C25-G29 PolarHBondContact O-N 3.44Å; C25-I30 HydrophobicContact CB-CB 4.43Å; C25-I30 WeakPolarHBondContact CB-O 3.42Å; C25-I30 PolarHBondContact O-N 2.88Å; C25-Y83 HydrophobicContact CB-CE1 3.92Å; C25-L86 VanDerWaalsContact SG-CD2 3.55Å
26L94.4Very high94.5Very high63 Ų6324.7 Ų24.733%0.3313%0.13SC..Hα-helixtrans-64.2-40.6177.7-68.5170.4000112.5E22 L23 Y24 G29 T361 V363E22-L26 HydrophobicContact CG-CD1 4.27Å; E22-L26 VanDerWaalsContact O-CG 3.32Å; E22-L26 WeakPolarHBondContact O-CG 3.49Å; E22-L26 PolarHBondContact O-N 3.48Å; E22-L26 VanDerWaalsContact O-N 3.1Å; L23-L26 PolarHBondContact O-N 2.73Å; Y24-L26 PolarHBondContact O-N 2.88Å; L26-G29 PolarHBondContact O-N 3Å; L26-T361 HydrophobicContact CB-CG2 3.76Å; L26-V363 HydrophobicContact CD1-CB 4.37Å; L26-V363 HydrophobicContact CD1-CG2 4.09Å
27E93.1Very high93.5Very high17 Ų1727.6 Ų27.68%0.07915%0.149CC..Hα-helixtrans-66.5-40.3179.7-73.1-177.9144.200112.5L23 Y24 S236 R243 F244 R320 T361L23-E27 HydrophobicContact CD1-CG 4.25Å; L23-E27 HydrophobicContact CG-CG 4.4Å; L23-E27 WeakPolarHBondContact O-CG 3.35Å; L23-E27 PolarHBondContact O-N 2.82Å; Y24-E27 PolarHBondContact O-N 3.5Å; E27-S236 VanDerWaalsContact CD-OG 3.26Å; E27-S236 PolarHBondContact OE1-OG 2.77Å; E27-S236 PolarHBondContact OE2-OG 2.9Å; E27-S236 VanDerWaalsContact OE2-OG 3.1Å; E27-R243 IonicContact OE2-CZ 2.92Å; E27-R243 IonicContact OE2-NH1 3.61Å; E27-R243 PolarHBondContact OE2-NH1 3.35Å; E27-R243 IonicContact OE2-NH2 3.99Å; E27-R243 PolarHBondContact OE2-NH2 3.46Å; E27-F244 HydrophobicContact CB-CE2 4.41Å; E27-F244 HydrophobicContact CB-CZ 3.87Å; E27-R320 IonicContact OE1-CZ 3.81Å; E27-R320 IonicContact OE1-NH1 3.65Å; E27-R320 IonicContact OE1-NH2 3.02Å; E27-R320 PolarHBondContact OE1-NH2 2.65Å; E27-T361 HydrophobicContact CG-CG2 4.29Å; E27-T361 WeakPolarHBondContact CG-OG1 3.26Å
28H91.8Very high91.8Very high16 Ų1631.4 Ų31.47%0.07418%0.176CC..Hα-helixtrans-89.6-7.6178.8-66.4-69.5000113.5Y24 C25 I30 F49 R243 F244Y24-H28 PolarHBondContact O-CD2 2.83Å; Y24-H28 VanDerWaalsContact O-CD2 3.22Å; Y24-H28 PolarHBondContact O-N 3.34Å; C25-H28 PolarHBondContact O-N 2.82Å; H28-I30 VanDerWaalsContact C-N 3.31Å; H28-I30 HydrophobicContact CB-CD1 3.91Å; H28-I30 HydrophobicContact CB-CG1 4.01Å; H28-F49 HydrophobicContact CB-CB 4.4Å; H28-R243 PolarHBondContact NE2-NH1 3.06Å; H28-R243 VanDerWaalsContact NE2-NH1 3.14Å; H28-F244 AromaticContact CE1-CE1 3.45Å; H28-F244 VanDerWaalsContact CE1-CE1 3.45Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.39Å; H28-F244 AromaticContact CE1-CZ 3.46Å; H28-F244 VanDerWaalsContact CE1-CZ 3.46Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.23Å; H28-F244 AromaticContact ND1-CE1 3.75Å; H28-F244 AromaticContact ND1-CZ 3.96Å; H28-F244 AromaticContact NE2-CZ 3.77Å
29G91Very high89.8Confident14 Ų1436.8 Ų36.814%0.14420%0.204CC..THydrogen-bonded Turntrans71.225.2-17600000114C25 L26 P37C25-G29 CarbonylContact O-C 3.59Å; C25-G29 WeakPolarHBondContact O-CA 3.38Å; C25-G29 PolarHBondContact O-N 3.44Å; L26-G29 PolarHBondContact O-N 3Å; G29-P37 WeakPolarHBondContact O-CD 3.33Å
30I93Very high87.7Confident5 Ų542.6 Ų42.63%0.02623%0.228CC..  trans-82.8127.5174.7-61.1169.2000108C25 H28 M36 F53 H61 L86C25-I30 HydrophobicContact CB-CB 4.43Å; C25-I30 WeakPolarHBondContact CB-O 3.42Å; C25-I30 PolarHBondContact O-N 2.88Å; H28-I30 VanDerWaalsContact C-N 3.31Å; H28-I30 HydrophobicContact CB-CD1 3.91Å; H28-I30 HydrophobicContact CB-CG1 4.01Å; I30-M36 HydrophobicContact CG1-CG 3.9Å; I30-M36 HydrophobicContact CG1-SD 4.2Å; I30-F53 HydrophobicContact CD1-CD1 3.92Å; I30-F53 HydrophobicContact CD1-CD2 3.93Å; I30-F53 HydrophobicContact CD1-CE1 3.83Å; I30-F53 HydrophobicContact CD1-CE2 3.85Å; I30-F53 HydrophobicContact CD1-CG 3.97Å; I30-F53 HydrophobicContact CD1-CZ 3.8Å; I30-H61 HydrophobicContact CD1-CB 4.03Å; I30-H61 HydrophobicContact CG2-CB 4.34Å; I30-L86 HydrophobicContact CG2-CD1 4.22Å
31Q94.7Very high85.3Confident91 Ų9146.1 Ų46.143%0.42525%0.249SC..  trans-73.3161.2177.5-62.9-55-53.700111.2D33 G34 Q35Q31-D33 VanDerWaalsContact CB-OD1 3.27Å; Q31-D33 WeakPolarHBondContact CB-OD1 3.32Å; Q31-D33 PolarHBondContact O-N 3.46Å; Q31-G34 PolarHBondContact O-N 3.1Å; Q31-Q35 WeakPolarHBondContact CB-O 3.22Å; Q31-Q35 WeakPolarHBondContact CG-O 3.37Å; Q31-Q35 PolarHBondContact N-O 3.49Å
32P95.2Very high82.6Confident39 Ų3953 Ų5325%0.25328%0.284SS..THydrogen-bonded Turntrans-59.1-13.7-179.6-26.135.3000116T82 Y83 L86P32-T82 HydrophobicContact CB-CG2 4.19Å; P32-T82 WeakPolarHBondContact CB-O 3.47Å; P32-T82 HydrophobicContact CG-CG2 4.2Å; P32-Y83 HydrophobicContact CB-CD1 3.72Å; P32-Y83 HydrophobicContact CB-CE1 3.82Å; P32-Y83 HydrophobicContact CB-CG 4.3Å; P32-Y83 HydrophobicContact CG-CD1 4.33Å; P32-Y83 HydrophobicContact CG-CE1 3.91Å; P32-L86 WeakPolarHBondContact O-CB 3.41Å; P32-L86 PolarHBondContact O-N 2.88Å
33D94.5Very high79.9Confident58 Ų5855 Ų5531%0.3132%0.316SS..THydrogen-bonded Turntrans-941.2174.466.6-6.5000113.8Q31 Q35 K60 Q85Q31-D33 VanDerWaalsContact CB-OD1 3.27Å; Q31-D33 WeakPolarHBondContact CB-OD1 3.32Å; Q31-D33 PolarHBondContact O-N 3.46Å; D33-Q35 VanDerWaalsContact OD1-CB 3.31Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.33Å; D33-Q35 PolarHBondContact OD1-N 2.86Å; D33-Q35 WeakPolarHBondContact OD2-CG 3.47Å; D33-K60 WeakPolarHBondContact O-CE 3.32Å; D33-Q85 HydrophobicContact CB-CB 4.16Å
34G93.9Very high77.3Confident0 Ų058 Ų580%035%0.349CS..SBendtrans83.74.4-177.600000114.6Q31 H61Q31-G34 PolarHBondContact O-N 3.1Å; G34-H61 WeakPolarHBondContact CA-O 3.18Å; G34-H61 PolarHBondContact O-N 2.86Å; G34-H61 PolarHBondContact O-ND1 3.5Å
35Q92.8Very high75.2Confident80 Ų8061.9 Ų61.937%0.37439%0.389SS..  trans-85.6148.7177.8-62.5-66.6-20.700111.4Q31 D33Q31-Q35 WeakPolarHBondContact CB-O 3.22Å; Q31-Q35 WeakPolarHBondContact CG-O 3.37Å; Q31-Q35 PolarHBondContact N-O 3.49Å; D33-Q35 VanDerWaalsContact OD1-CB 3.31Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.33Å; D33-Q35 PolarHBondContact OD1-N 2.86Å; D33-Q35 WeakPolarHBondContact OD2-CG 3.47Å
36M86.5Confident73.6Confident28 Ų2865.6 Ų65.614%0.13841%0.409CS..  trans-107.4142.5167.9-79.7-178.651.600110I30 S38 K40 T41I30-M36 HydrophobicContact CG1-CG 3.9Å; I30-M36 HydrophobicContact CG1-SD 4.2Å; M36-S38 PolarHBondContact O-N 2.97Å; M36-K40 HydrophobicContact CE-CB 3.78Å; M36-T41 HydrophobicContact CB-CG2 3.8Å; M36-T41 HydrophobicContact CE-CG2 4.06Å; M36-T41 HydrophobicContact SD-CG2 4.48Å
37P75.6Confident72.4Confident61 Ų6168 Ų6840%0.39642%0.422SS..  trans-56.1135.3171.5-21.932.2000110.9G29 D39 K40G29-P37 WeakPolarHBondContact O-CD 3.33Å; P37-D39 PolarHBondContact O-N 2.83Å; P37-K40 PolarHBondContact O-N 2.97Å
38S62.7Low71.5Confident80 Ų8068 Ų6856%0.55942%0.424SS*.Hα-helixtrans-55-24.5-174.153.50000115M36 K40 T41M36-S38 PolarHBondContact O-N 2.97Å; S38-K40 VanDerWaalsContact C-N 3.26Å; S38-K40 PolarHBondContact O-N 3.36Å; S38-T41 PolarHBondContact O-OG1 2.86Å
39D53.8Low71Confident156 Ų15668.4 Ų68.483%0.83443%0.426SS*.Hα-helixtrans-74.5-11.2-179.9-77.5-13000113.9P37P37-D39 PolarHBondContact O-N 2.83Å
40K52.8Low70.8Confident135 Ų13568.6 Ų68.659%0.58742%0.423SS*.Hα-helixtrans-104-18.6177.4-70.8-170.8175.3-172.50114.2M36 P37 S38M36-K40 HydrophobicContact CE-CB 3.78Å; P37-K40 PolarHBondContact O-N 2.97Å; S38-K40 VanDerWaalsContact C-N 3.26Å; S38-K40 PolarHBondContact O-N 3.36Å
41T47.5Very low70.7Confident76 Ų7668.7 Ų68.747%0.46642%0.424SS..Hα-helixtrans-86.2-21.7-176.244.90000113.2M36 S38 G43M36-T41 HydrophobicContact CB-CG2 3.8Å; M36-T41 HydrophobicContact CE-CG2 4.06Å; M36-T41 HydrophobicContact SD-CG2 4.48Å; S38-T41 PolarHBondContact O-OG1 2.86Å; T41-G43 PolarHBondContact O-N 3.49Å
42I38.8Very low70.7Confident145 Ų14564.4 Ų64.474%0.74440%0.404SS*.SBendtrans-96.489.3-171.8-52.6175.4000110.7
43G40.5Very low70.7Confident83 Ų8362.5 Ų62.586%0.85639%0.392SS*.SBendtrans97.224151.700000118.9T41T41-G43 PolarHBondContact O-N 3.49Å
44G39.5Very low70.7Confident69 Ų6960.6 Ų60.671%0.71138%0.383SS*.  trans-149.848.7-174.400000117.5D46G44-D46 PolarHBondContact O-N 3.41Å
45G51.9Low70.5Confident83 Ų8366.2 Ų66.286%0.85641%0.409SS*.  trans72.234.9131.600000121.8
46D61.3Low70.3Confident78 Ų7864.9 Ų64.942%0.41741%0.406SS..  trans-130.383.5164.7-166.412.2000112.2G44 S48 F49G44-D46 PolarHBondContact O-N 3.41Å; D46-S48 PolarHBondContact O-N 3.14Å; D46-S48 VanDerWaalsContact O-N 3.14Å; D46-S48 WeakPolarHBondContact OD1-CB 3.5Å; D46-S48 PolarHBondContact OD1-N 3.24Å; D46-S48 PolarHBondContact OD1-OG 3.28Å; D46-S48 PolarHBondContact OD2-OG 3.4Å; D46-F49 VanDerWaalsContact O-CD1 3.24Å; D46-F49 WeakPolarHBondContact O-CD1 3.45Å; D46-F49 WeakPolarHBondContact O-CE1 3.29Å
47D70.1Confident70.2Confident114 Ų11468.2 Ų68.261%0.6145%0.449SS*.G310 helixtrans-72.58.3175-73.1-25.5000112.9F49 N50D47-F49 PolarHBondContact O-N 3.08Å; D47-N50 VanDerWaalsContact O-CB 3.29Å; D47-N50 WeakPolarHBondContact O-CB 3.37Å; D47-N50 PolarHBondContact O-N 3.49Å; D47-N50 PolarHBondContact O-ND2 2.82Å; D47-N50 VanDerWaalsContact O-ND2 3.13Å
48S74.5Confident70.7Confident18 Ų1869.3 Ų69.313%0.12646%0.462CS..G310 helixtrans-65.3-23.9-170.564.50000114.9D46 N50 T51 R243D46-S48 PolarHBondContact O-N 3.14Å; D46-S48 VanDerWaalsContact O-N 3.14Å; D46-S48 WeakPolarHBondContact OD1-CB 3.5Å; D46-S48 PolarHBondContact OD1-N 3.24Å; D46-S48 PolarHBondContact OD1-OG 3.28Å; D46-S48 PolarHBondContact OD2-OG 3.4Å; S48-N50 PolarHBondContact O-N 2.77Å; S48-T51 WeakPolarHBondContact O-CB 3.32Å; S48-T51 PolarHBondContact O-N 3.28Å; S48-T51 PolarHBondContact O-OG1 2.92Å; S48-R243 WeakPolarHBondContact CB-O 3.31Å; S48-R243 PolarHBondContact OG-O 3.1Å
49F80.7Confident71.9Confident24 Ų2466.6 Ų66.611%0.10545%0.447CS..G310 helixtrans-64.1-25.5173.555-98.4000112H28 D46 D47 T51 F52 F53 H61H28-F49 HydrophobicContact CB-CB 4.4Å; D46-F49 VanDerWaalsContact O-CD1 3.24Å; D46-F49 WeakPolarHBondContact O-CD1 3.45Å; D46-F49 WeakPolarHBondContact O-CE1 3.29Å; D47-F49 PolarHBondContact O-N 3.08Å; F49-T51 PolarHBondContact O-N 2.9Å; F49-T51 VanDerWaalsContact O-N 3.07Å; F49-F52 PolarHBondContact O-N 3.16Å; F49-F53 HydrophobicContact CB-CD2 4.25Å; F49-F53 WeakPolarHBondContact O-CD2 3.45Å; F49-F53 PolarHBondContact O-N 2.93Å; F49-H61 AromaticContact CD2-CD2 3.52Å; F49-H61 AromaticContact CD2-NE2 3.87Å; F49-H61 AromaticContact CE2-CD2 3.39Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.32Å; F49-H61 AromaticContact CE2-NE2 3.28Å; F49-H61 VanDerWaalsContact CE2-NE2 3.28Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.39Å; F49-H61 AromaticContact CZ-NE2 3.67Å
50N87.3Confident73.7Confident18 Ų1861.9 Ų61.910%0.09642%0.419CS..G310 helixtrans-65.4-16.1-176.6-68.7-52.4000113.8M1 D47 S48 F52 F53 R64M1-N50 HydrophobicContact CE-CB 3.65Å; M1-N50 HydrophobicContact CG-CB 4.46Å; M1-N50 HydrophobicContact SD-CB 3.24Å; M1-N50 WeakPolarHBondContact SD-CB 3.48Å; D47-N50 VanDerWaalsContact O-CB 3.29Å; D47-N50 WeakPolarHBondContact O-CB 3.37Å; D47-N50 PolarHBondContact O-N 3.49Å; D47-N50 PolarHBondContact O-ND2 2.82Å; D47-N50 VanDerWaalsContact O-ND2 3.13Å; S48-N50 PolarHBondContact O-N 2.77Å; N50-F52 PolarHBondContact O-N 2.73Å; N50-F53 CarbonylContact C-O 3.51Å; N50-F53 VanDerWaalsContact CA-O 3.27Å; N50-F53 WeakPolarHBondContact CA-O 3.34Å; N50-R64 PolarHBondContact O-NE 3.25Å; N50-R64 PolarHBondContact O-NH2 3.46Å
51T90.9Very high75.7Confident7 Ų755.6 Ų55.64%0.04339%0.392CS..G310 helixtrans-54.6-40.8169.8-63.20000111.5R2 E3 C4 S48 F49 L242 R243R2-T51 WeakPolarHBondContact O-CG2 3.32Å; E3-T51 WeakPolarHBondContact CA-O 3.41Å; C4-T51 PolarHBondContact N-O 3.45Å; S48-T51 WeakPolarHBondContact O-CB 3.32Å; S48-T51 PolarHBondContact O-N 3.28Å; S48-T51 PolarHBondContact O-OG1 2.92Å; F49-T51 PolarHBondContact O-N 2.9Å; F49-T51 VanDerWaalsContact O-N 3.07Å; T51-L242 HydrophobicContact CG2-CB 3.7Å; T51-L242 WeakPolarHBondContact CG2-O 3.16Å; T51-L242 PolarHBondContact OG1-O 2.82Å; T51-R243 HydrophobicContact CG2-CG 4.39Å
52F94.6Very high78Confident0 Ų052.4 Ų52.40%037%0.372CS..THydrogen-bonded Turntrans-121.9-11.8-175.7-72.2-81000114.3C4 W21 Y24 F49 N50 P63 R64 L136 T239 L242 R243C4-F52 HydrophobicContact CB-CD1 4.32Å; C4-F52 HydrophobicContact CB-CE1 3.71Å; C4-F52 HydrophobicContact CB-CZ 4.09Å; W21-F52 HydrophobicContact CH2-CB 3.97Å; W21-F52 HydrophobicContact CH2-CD1 4.35Å; W21-F52 WeakPolarHBondContact CH2-O 3.32Å; W21-F52 HydrophobicContact CZ3-CB 4.07Å; Y24-F52 HydrophobicContact CE2-CD1 4.3Å; Y24-F52 HydrophobicContact CE2-CG 4.31Å; F49-F52 PolarHBondContact O-N 3.16Å; N50-F52 PolarHBondContact O-N 2.73Å; F52-P63 CarbonylContact O-C 3.54Å; F52-R64 WeakPolarHBondContact O-CB 3.29Å; F52-R64 PolarHBondContact O-N 3.49Å; F52-L136 HydrophobicContact CE1-CD1 3.64Å; F52-L136 HydrophobicContact CZ-CD1 3.95Å; F52-T239 HydrophobicContact CE1-CG2 4.41Å; F52-T239 HydrophobicContact CE2-CG2 4.25Å; F52-T239 HydrophobicContact CZ-CG2 3.64Å; F52-L242 HydrophobicContact CE2-CB 4.36Å; F52-L242 HydrophobicContact CE2-CD1 4.4Å; F52-L242 HydrophobicContact CZ-CD1 4.23Å; F52-R243 HydrophobicContact CD2-CG 3.49Å; F52-R243 VanDerWaalsContact CD2-CG 3.49Å; F52-R243 HydrophobicContact CE2-CG 3.55Å
53F95.1Very high80.8Confident0 Ų045.5 Ų45.50%034%0.337CS..EExtended strand (participates in β ladder)trans-115.9149.7175.7-64.2-94.6000110W21 I30 F49 N50 H61 V62 P63 R64 L86W21-F53 HydrophobicContact CE3-CE1 4.12Å; W21-F53 HydrophobicContact CE3-CE2 4.38Å; W21-F53 AromaticContact CE3-CZ 3.75Å; W21-F53 HydrophobicContact CE3-CZ 3.75Å; W21-F53 HydrophobicContact CZ3-CD2 4.48Å; W21-F53 HydrophobicContact CZ3-CE1 4.03Å; W21-F53 AromaticContact CZ3-CE2 3.95Å; W21-F53 HydrophobicContact CZ3-CE2 3.95Å; W21-F53 AromaticContact CZ3-CZ 3.7Å; W21-F53 HydrophobicContact CZ3-CZ 3.7Å; I30-F53 HydrophobicContact CD1-CD1 3.92Å; I30-F53 HydrophobicContact CD1-CD2 3.93Å; I30-F53 HydrophobicContact CD1-CE1 3.83Å; I30-F53 HydrophobicContact CD1-CE2 3.85Å; I30-F53 HydrophobicContact CD1-CG 3.97Å; I30-F53 HydrophobicContact CD1-CZ 3.8Å; F49-F53 HydrophobicContact CB-CD2 4.25Å; F49-F53 WeakPolarHBondContact O-CD2 3.45Å; F49-F53 PolarHBondContact O-N 2.93Å; N50-F53 CarbonylContact C-O 3.51Å; N50-F53 VanDerWaalsContact CA-O 3.27Å; N50-F53 WeakPolarHBondContact CA-O 3.34Å; F53-H61 HydrophobicContact CB-CB 4.3Å; F53-H61 HydrophobicContact CD1-CB 4.14Å; F53-H61 HydrophobicContact CG-CB 4.48Å; F53-V62 CarbonylContact C-O 3.57Å; F53-V62 VanDerWaalsContact CA-O 3.3Å; F53-V62 WeakPolarHBondContact CA-O 3.34Å; F53-P63 HydrophobicContact CD1-CG 4.09Å; F53-P63 HydrophobicContact CE1-CG 3.77Å; F53-R64 PolarHBondContact O-NE 3.31Å; F53-R64 VanDerWaalsContact O-NE 3.16Å; F53-L86 HydrophobicContact CE1-CD1 4.33Å
54S93.1Very high83.5Confident18 Ų1842.1 Ų42.113%0.12630%0.298CS..EExtended strand (participates in β ladder)trans-109137.5163.458.90000109.2H61 V62S54-H61 WeakPolarHBondContact O-CA 3.12Å; S54-V62 PolarHBondContact N-O 2.84Å; S54-V62 PolarHBondContact O-N 2.91Å; S54-V62 PolarHBondContact OG-O 3.05Å
55E90.3Very high86.3Confident117 Ų11738.8 Ų38.855%0.54727%0.265SS..EExtended strand (participates in β ladder)trans-87.5127.2173.4-164.3-175.4172.500109.7G59E55-G59 WeakPolarHBondContact OE1-CA 3.18Å
56T89.1Confident88.5Confident52 Ų5234.9 Ų34.932%0.31922%0.224SC..  trans-81162.2173.3640000110.7A58 G59 K60 V62T56-A58 PolarHBondContact O-N 2.78Å; T56-G59 PolarHBondContact O-N 2.84Å; T56-K60 PolarHBondContact N-O 3.44Å; T56-K60 WeakPolarHBondContact OG1-CB 3.45Å; T56-K60 PolarHBondContact OG1-N 3.39Å; T56-K60 PolarHBondContact OG1-O 2.75Å; T56-K60 VanDerWaalsContact OG1-O 3.05Å; T56-V62 HydrophobicContact CG2-CG2 3.74Å
57G84.4Confident90.3Very high99 Ų9931.1 Ų31.1100%1.02120%0.204SC*.THydrogen-bonded Turntrans-60.1-10.5175.900000115.4
58A86.9Confident91.6Very high83 Ų8325.7 Ų25.769%0.68618%0.175SC*.THydrogen-bonded Turntrans-96.38.3173.900000113.5T56 K60T56-A58 PolarHBondContact O-N 2.78Å; A58-K60 VanDerWaalsContact C-N 3.27Å; A58-K60 PolarHBondContact O-N 2.97Å
59G87Confident92.7Very high24 Ų2425.1 Ų25.125%0.24717%0.17CC..SBendtrans777-178.700000115E55 T56 H61E55-G59 WeakPolarHBondContact OE1-CA 3.18Å; T56-G59 PolarHBondContact O-N 2.84Å; G59-H61 PolarHBondContact O-CE1 2.66Å; G59-H61 PolarHBondContact O-ND1 2.87Å
60K92Very high93.5Very high56 Ų5624 Ų2424%0.24317%0.165CC..  trans-81.9134.1176.5176.7-177172.7-179.40110.4D33 T56 A58 V62 Q85D33-K60 WeakPolarHBondContact O-CE 3.32Å; T56-K60 PolarHBondContact N-O 3.44Å; T56-K60 WeakPolarHBondContact OG1-CB 3.45Å; T56-K60 PolarHBondContact OG1-N 3.39Å; T56-K60 PolarHBondContact OG1-O 2.75Å; T56-K60 VanDerWaalsContact OG1-O 3.05Å; A58-K60 VanDerWaalsContact C-N 3.27Å; A58-K60 PolarHBondContact O-N 2.97Å; K60-V62 HydrophobicContact CD-CG2 4.34Å; K60-V62 HydrophobicContact CG-CG2 4.23Å; K60-Q85 WeakPolarHBondContact CE-O 3.24Å; K60-Q85 PolarHBondContact NZ-O 2.69Å
61H93.6Very high93.9Very high3 Ų325.9 Ų25.91%0.01417%0.174CC..EExtended strand (participates in β ladder)trans-91.2123176.2-58.676.5000109.8I30 G34 F49 F53 S54 G59I30-H61 HydrophobicContact CD1-CB 4.03Å; I30-H61 HydrophobicContact CG2-CB 4.34Å; G34-H61 WeakPolarHBondContact CA-O 3.18Å; G34-H61 PolarHBondContact O-N 2.86Å; G34-H61 PolarHBondContact O-ND1 3.5Å; F49-H61 AromaticContact CD2-CD2 3.52Å; F49-H61 AromaticContact CD2-NE2 3.87Å; F49-H61 AromaticContact CE2-CD2 3.39Å; F49-H61 WeakPolarHBondContact CE2-CD2 3.32Å; F49-H61 AromaticContact CE2-NE2 3.28Å; F49-H61 VanDerWaalsContact CE2-NE2 3.28Å; F49-H61 WeakPolarHBondContact CE2-NE2 3.39Å; F49-H61 AromaticContact CZ-NE2 3.67Å; F53-H61 HydrophobicContact CB-CB 4.3Å; F53-H61 HydrophobicContact CD1-CB 4.14Å; F53-H61 HydrophobicContact CG-CB 4.48Å; S54-H61 WeakPolarHBondContact O-CA 3.12Å; G59-H61 PolarHBondContact O-CE1 2.66Å; G59-H61 PolarHBondContact O-ND1 2.87Å
62V96.1Very high94.2Very high9 Ų927.8 Ų27.86%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-119.8128.2-177.3179.70000108.9F53 S54 T56 K60 H88F53-V62 CarbonylContact C-O 3.57Å; F53-V62 VanDerWaalsContact CA-O 3.3Å; F53-V62 WeakPolarHBondContact CA-O 3.34Å; S54-V62 PolarHBondContact N-O 2.84Å; S54-V62 PolarHBondContact O-N 2.91Å; S54-V62 PolarHBondContact OG-O 3.05Å; T56-V62 HydrophobicContact CG2-CG2 3.74Å; K60-V62 HydrophobicContact CD-CG2 4.34Å; K60-V62 HydrophobicContact CG-CG2 4.23Å; V62-H88 HydrophobicContact CG1-CB 4.06Å
63P97.4Very high94.2Very high0 Ų031.6 Ų31.60%021%0.209CC..EExtended strand (participates in β ladder)trans-52.8139174.7-32.739.8000113.4W21 F52 F53 A65 L86 F87 Q91W21-P63 HydrophobicContact CD2-CB 4.05Å; W21-P63 HydrophobicContact CD2-CG 4.19Å; W21-P63 HydrophobicContact CE3-CB 3.78Å; W21-P63 HydrophobicContact CE3-CG 3.78Å; W21-P63 HydrophobicContact CH2-CB 3.65Å; W21-P63 HydrophobicContact CZ2-CB 3.92Å; W21-P63 HydrophobicContact CZ3-CB 3.56Å; W21-P63 HydrophobicContact CZ3-CG 3.96Å; F52-P63 CarbonylContact O-C 3.54Å; F53-P63 HydrophobicContact CD1-CG 4.09Å; F53-P63 HydrophobicContact CE1-CG 3.77Å; P63-A65 HydrophobicContact CB-CB 3.89Å; P63-A65 PolarHBondContact O-N 3.3Å; P63-L86 WeakPolarHBondContact CD-O 3.43Å; P63-L86 HydrophobicContact CG-CD1 4.25Å; P63-L86 HydrophobicContact CG-CD2 3.73Å; P63-L86 HydrophobicContact CG-CG 3.64Å; P63-F87 HydrophobicContact CB-CD1 3.9Å; P63-F87 HydrophobicContact CB-CE1 3.9Å; P63-F87 HydrophobicContact CG-CD1 3.71Å; P63-F87 HydrophobicContact CG-CE1 3.62Å; P63-Q91 PolarHBondContact O-OE1 2.82Å
64R97.2Very high94.3Very high12 Ų1231.9 Ų31.95%0.04521%0.211CC..SBendtrans-80.364.8164.3-61.8179.9-169.1-95.19.4108.6E3 C4 I5 S6 N50 F52 F53 Q128 C129E3-R64 IonicContact OE1-CZ 3.07Å; E3-R64 IonicContact OE1-NH1 2.63Å; E3-R64 IonicContact OE1-NH2 3Å; E3-R64 PolarHBondContact OE1-NH2 2.98Å; C4-R64 WeakPolarHBondContact O-CB 3.44Å; I5-R64 WeakPolarHBondContact CA-O 3.36Å; S6-R64 PolarHBondContact N-O 3.15Å; N50-R64 PolarHBondContact O-NE 3.25Å; N50-R64 PolarHBondContact O-NH2 3.46Å; F52-R64 WeakPolarHBondContact O-CB 3.29Å; F52-R64 PolarHBondContact O-N 3.49Å; F53-R64 PolarHBondContact O-NE 3.31Å; F53-R64 VanDerWaalsContact O-NE 3.16Å; R64-Q128 PolarHBondContact NH1-O 2.91Å; R64-C129 PolarHBondContact NH1-SG 3.01Å; R64-C129 VanDerWaalsContact NH1-SG 3.44Å
65A98.1Very high94.5Very high0 Ų031 Ų310%021%0.205CC..EExtended strand (participates in β ladder)trans-126.4151.3-174.200000111.3S6 W21 P63 F67 Q91S6-A65 CarbonylContact O-C 3.55Å; S6-A65 WeakPolarHBondContact O-CA 3.42Å; W21-A65 HydrophobicContact CH2-CB 4.44Å; W21-A65 HydrophobicContact CZ2-CB 3.57Å; P63-A65 HydrophobicContact CB-CB 3.89Å; P63-A65 PolarHBondContact O-N 3.3Å; A65-F67 HydrophobicContact CB-CD2 4.27Å; A65-F67 HydrophobicContact CB-CE2 3.75Å; A65-Q91 VanDerWaalsContact O-CB 3.26Å; A65-Q91 WeakPolarHBondContact O-CB 3.2Å; A65-Q91 VanDerWaalsContact O-CG 3.24Å; A65-Q91 WeakPolarHBondContact O-CG 3.44Å; A65-Q91 PolarHBondContact O-OE1 3.14Å
66V98.5Very high94.8Very high0 Ų028.5 Ų28.50%020%0.195CC..EExtended strand (participates in β ladder)trans-127130.4163.5-175.10000107.3S6 I7 H8 V68 I93 V118 I122 L125S6-V66 PolarHBondContact O-N 3.3Å; I7-V66 WeakPolarHBondContact CA-O 3.42Å; H8-V66 PolarHBondContact N-O 2.69Å; V66-V68 HydrophobicContact CG1-CG2 3.69Å; V66-I93 HydrophobicContact CG1-CD1 3.67Å; V66-I93 HydrophobicContact CG1-CG1 4.43Å; V66-V118 HydrophobicContact CG1-CG1 4.43Å; V66-I122 HydrophobicContact CG2-CG1 4.04Å; V66-L125 HydrophobicContact CG2-CD1 3.54Å
67F98.7Very high95.2Very high0 Ų030.6 Ų30.60%020%0.202CC..EExtended strand (participates in β ladder)trans-110.5128.2173.2-69-102000108H8 V14 W21 A65 V78 F87 Q91 L92 I93H8-F67 HydrophobicContact CB-CD1 3.56Å; H8-F67 HydrophobicContact CB-CE1 3.84Å; H8-F67 HydrophobicContact CB-CG 4.12Å; H8-F67 AromaticContact CD2-CE1 3.79Å; H8-F67 AromaticContact CD2-CE2 3.95Å; H8-F67 AromaticContact CD2-CZ 3.68Å; H8-F67 AromaticContact CG-CD1 3.99Å; H8-F67 AromaticContact CG-CE1 3.75Å; H8-F67 WeakPolarHBondContact O-CA 3.28Å; V14-F67 HydrophobicContact CB-CD1 4.21Å; V14-F67 HydrophobicContact CG1-CD1 3.89Å; V14-F67 HydrophobicContact CG1-CE1 4.43Å; V14-F67 HydrophobicContact CG2-CB 4.46Å; V14-F67 HydrophobicContact CG2-CD1 4.08Å; W21-F67 AromaticContact CD1-CZ 3.59Å; W21-F67 AromaticContact NE1-CZ 3.73Å; A65-F67 HydrophobicContact CB-CD2 4.27Å; A65-F67 HydrophobicContact CB-CE2 3.75Å; F67-V78 HydrophobicContact CD1-CG2 4.48Å; F67-F87 HydrophobicContact CD2-CD1 4.34Å; F67-F87 HydrophobicContact CD2-CE1 4.47Å; F67-F87 AromaticContact CE2-CD1 3.57Å; F67-F87 HydrophobicContact CE2-CD1 3.57Å; F67-F87 AromaticContact CE2-CE1 3.35Å; F67-F87 HydrophobicContact CE2-CE1 3.35Å; F67-F87 HydrophobicContact CE2-CG 4.28Å; F67-F87 AromaticContact CE2-CZ 3.89Å; F67-F87 HydrophobicContact CE2-CZ 3.89Å; F67-F87 HydrophobicContact CZ-CD1 4.3Å; F67-F87 AromaticContact CZ-CE1 3.66Å; F67-F87 HydrophobicContact CZ-CE1 3.66Å; F67-F87 HydrophobicContact CZ-CE2 4.49Å; F67-F87 AromaticContact CZ-CZ 3.76Å; F67-F87 HydrophobicContact CZ-CZ 3.76Å; F67-Q91 PolarHBondContact N-O 3.39Å; F67-L92 HydrophobicContact CB-CD2 3.8Å; F67-L92 HydrophobicContact CD2-CD2 3.65Å; F67-L92 HydrophobicContact CE2-CD2 4.46Å; F67-L92 HydrophobicContact CG-CD2 3.88Å; F67-I93 PolarHBondContact O-N 3.31Å
68V98.4Very high95.8Very high0 Ų026 Ų260%015%0.154CC..EExtended strand (participates in β ladder)trans-133.5129.6-177-166.80000109.9H8 V9 G10 V66 I93 V118 F149H8-V68 PolarHBondContact O-N 2.89Å; V9-V68 WeakPolarHBondContact CA-O 3.48Å; G10-V68 PolarHBondContact N-O 2.7Å; V66-V68 HydrophobicContact CG1-CG2 3.69Å; V68-I93 WeakPolarHBondContact CA-O 3.31Å; V68-I93 HydrophobicContact CG1-CG2 4.47Å; V68-I93 HydrophobicContact CG2-CB 4.39Å; V68-V118 HydrophobicContact CB-CG2 4.47Å; V68-V118 HydrophobicContact CG1-CG2 3.82Å; V68-V118 HydrophobicContact CG2-CG1 3.89Å; V68-V118 HydrophobicContact CG2-CG2 3.76Å; V68-F149 HydrophobicContact CB-CE1 4.15Å; V68-F149 HydrophobicContact CG1-CD1 4.21Å; V68-F149 HydrophobicContact CG1-CE1 3.59Å; V68-F149 HydrophobicContact CG1-CZ 4.12Å; V68-F149 HydrophobicContact CG2-CE1 4.46Å
69D98Very high96.2Very high6 Ų625.9 Ų25.93%0.03214%0.136CC..EExtended strand (participates in β ladder)trans-139.5153.7158.3-153.4-26.1000109.9G10 Q11 E71 V74 V75 I93 T94 G95 T145G10-D69 VanDerWaalsContact C-OD2 3.29Å; G10-D69 WeakPolarHBondContact CA-OD2 3.46Å; Q11-D69 PolarHBondContact N-OD2 3.27Å; D69-E71 WeakPolarHBondContact CB-O 3.28Å; D69-V74 HydrophobicContact CB-CG1 3.93Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.4Å; D69-V75 HydrophobicContact CB-CG2 3.95Å; D69-I93 PolarHBondContact N-O 3.2Å; D69-T94 CarbonylContact O-C 3.58Å; D69-T94 VanDerWaalsContact O-CA 3.24Å; D69-T94 WeakPolarHBondContact O-CA 3.39Å; D69-G95 PolarHBondContact O-N 2.96Å; D69-T145 PolarHBondContact OD1-OG1 3.48Å
70L97.5Very high96.7Very high0 Ų029.7 Ų29.70%015%0.154CC..SBendtrans-76.7-18.2179.2-58.7-174.7000111.7G95 K96 E97 A99 I110 I114 T145 F149L70-G95 CarbonylContact O-C 3.58Å; L70-G95 WeakPolarHBondContact O-CA 3.28Å; L70-G95 PolarHBondContact O-N 3.37Å; L70-K96 PolarHBondContact O-N 2.83Å; L70-K96 VanDerWaalsContact O-N 3.16Å; L70-E97 CarbonylContact C-O 3.51Å; L70-E97 WeakPolarHBondContact CB-O 3.39Å; L70-E97 CarbonylContact O-C 3.6Å; L70-E97 PolarHBondContact O-N 3.16Å; L70-A99 HydrophobicContact CD1-CB 4.14Å; L70-I110 HydrophobicContact CB-CG2 4.07Å; L70-I110 HydrophobicContact CD1-CB 4.11Å; L70-I110 HydrophobicContact CD1-CG2 3.98Å; L70-I110 HydrophobicContact CD2-CG2 4.32Å; L70-I110 HydrophobicContact CG-CG2 4.34Å; L70-I114 HydrophobicContact CD2-CG2 3.5Å; L70-T145 HydrophobicContact CD1-CG2 4.42Å; L70-T145 HydrophobicContact CG-CG2 3.83Å; L70-F149 HydrophobicContact CD1-CB 4.5Å; L70-F149 HydrophobicContact CD2-CD2 4.26Å; L70-F149 HydrophobicContact CD2-CG 4.38Å
71E95.5Very high96.8Very high57 Ų5728.4 Ų28.427%0.26616%0.157SC..SBendtrans-118.2160.517065.8146.6147.400112D69 T73 D98D69-E71 WeakPolarHBondContact CB-O 3.28Å; E71-T73 WeakPolarHBondContact OE2-CB 3.42Å; E71-T73 PolarHBondContact OE2-OG1 3.01Å; E71-D98 HydrophobicContact CB-CB 3.87Å; E71-D98 HydrophobicContact CG-CB 3.97Å
72P95.8Very high96.9Very high47 Ų4733.8 Ų33.831%0.30519%0.191SC..SBendtrans-79.8-22.9-170.230-35.3000114.9V74 V75 D76 T94P72-V74 PolarHBondContact O-N 2.97Å; P72-V75 PolarHBondContact O-N 3.27Å; P72-D76 WeakPolarHBondContact O-CB 3.37Å; P72-D76 PolarHBondContact O-N 2.71Å; P72-T94 HydrophobicContact CB-CG2 4.43Å
73T95.6Very high96.9Very high80 Ų8034.9 Ų34.949%0.49119%0.194SC..Hα-helixtrans-48.7-59.9-162.5-55.90000113.9E71 D76 E77E71-T73 WeakPolarHBondContact OE2-CB 3.42Å; E71-T73 PolarHBondContact OE2-OG1 3.01Å; T73-D76 PolarHBondContact O-N 3.02Å; T73-E77 PolarHBondContact O-N 2.95Å
74V96.2Very high96.7Very high6 Ų642 Ų424%0.03622%0.22CC..Hα-helixtrans-73.4-32.3-173.172.90000113.2Q11 V14 Q15 D69 P72 E77Q11-V74 HydrophobicContact CG-CB 4.47Å; Q11-V74 HydrophobicContact CG-CG2 4.18Å; V14-V74 HydrophobicContact CB-CG1 3.92Å; V14-V74 HydrophobicContact CB-CG2 3.92Å; V14-V74 HydrophobicContact CG1-CB 4.37Å; V14-V74 HydrophobicContact CG1-CG1 4.02Å; V14-V74 HydrophobicContact CG1-CG2 3.73Å; V14-V74 HydrophobicContact CG2-CG1 3.98Å; Q15-V74 HydrophobicContact CG-CG2 3.66Å; D69-V74 HydrophobicContact CB-CG1 3.93Å; D69-V74 WeakPolarHBondContact OD2-CG1 3.4Å; P72-V74 PolarHBondContact O-N 2.97Å; V74-E77 WeakPolarHBondContact O-CB 3.27Å; V74-E77 PolarHBondContact O-N 3.02Å
75V97.8Very high96.7Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-76-30.9177.7179.30000110.2V14 D69 P72 E77 V78 R79 L92 T94V14-V75 HydrophobicContact CG1-CG2 4.46Å; V14-V75 HydrophobicContact CG2-CG2 4.03Å; D69-V75 HydrophobicContact CB-CG2 3.95Å; P72-V75 PolarHBondContact O-N 3.27Å; V75-E77 VanDerWaalsContact C-N 3.26Å; V75-E77 PolarHBondContact O-N 3.39Å; V75-V78 WeakPolarHBondContact O-CA 3.4Å; V75-V78 VanDerWaalsContact O-CB 3.26Å; V75-V78 WeakPolarHBondContact O-CB 3.45Å; V75-V78 PolarHBondContact O-N 2.9Å; V75-R79 WeakPolarHBondContact O-CG 2.93Å; V75-R79 PolarHBondContact O-N 3.38Å; V75-L92 HydrophobicContact CG1-CB 3.77Å; V75-L92 HydrophobicContact CG1-CD2 4.44Å; V75-T94 HydrophobicContact CB-CG2 3.38Å; V75-T94 HydrophobicContact CG1-CG2 3.66Å; V75-T94 HydrophobicContact CG2-CG2 3.73Å
76D97.1Very high96.6Very high64 Ų6446.5 Ų46.534%0.34224%0.242SC..Hα-helixtrans-63.6-30.9171.8-82.6-11.3000112.3P72 T73 V78 R79 T80P72-D76 WeakPolarHBondContact O-CB 3.37Å; P72-D76 PolarHBondContact O-N 2.71Å; T73-D76 PolarHBondContact O-N 3.02Å; D76-V78 VanDerWaalsContact C-N 3.26Å; D76-V78 PolarHBondContact O-N 3.36Å; D76-R79 PolarHBondContact O-N 3.24Å; D76-R79 WeakPolarHBondContact OD1-CD 3.09Å; D76-R79 IonicContact OD1-CZ 2.78Å; D76-R79 IonicContact OD1-NE 3.42Å; D76-R79 IonicContact OD1-NH1 3.58Å; D76-R79 PolarHBondContact OD1-NH1 3.46Å; D76-T80 WeakPolarHBondContact O-CB 3.49Å; D76-T80 WeakPolarHBondContact O-CG2 3.24Å; D76-T80 PolarHBondContact O-N 3.07Å; D76-T80 PolarHBondContact O-OG1 3.25Å
77E96.9Very high96.5Very high96 Ų9646.7 Ų46.745%0.44924%0.243SC..Hα-helixtrans-60.4-37.6169.6-61.9179.317300111.3T73 V74 V75 G81T73-E77 PolarHBondContact O-N 2.95Å; V74-E77 WeakPolarHBondContact O-CB 3.27Å; V74-E77 PolarHBondContact O-N 3.02Å; V75-E77 VanDerWaalsContact C-N 3.26Å; V75-E77 PolarHBondContact O-N 3.39Å; E77-G81 VanDerWaalsContact O-CA 3.32Å; E77-G81 WeakPolarHBondContact O-CA 3.48Å; E77-G81 PolarHBondContact O-N 2.97Å
78V96.8Very high96.4Very high3 Ų350.4 Ų50.42%0.01826%0.26CS..Hα-helixtrans-66.6-45.2173.2-169.70000110.6V14 F67 V75 D76 T80 G81 R84 F87 L92V14-V78 HydrophobicContact CG1-CG2 3.7Å; F67-V78 HydrophobicContact CD1-CG2 4.48Å; V75-V78 WeakPolarHBondContact O-CA 3.4Å; V75-V78 VanDerWaalsContact O-CB 3.26Å; V75-V78 WeakPolarHBondContact O-CB 3.45Å; V75-V78 PolarHBondContact O-N 2.9Å; D76-V78 VanDerWaalsContact C-N 3.26Å; D76-V78 PolarHBondContact O-N 3.36Å; V78-T80 PolarHBondContact O-N 3.36Å; V78-G81 PolarHBondContact O-N 3.33Å; V78-R84 WeakPolarHBondContact O-CA 3.46Å; V78-F87 HydrophobicContact CG1-CD2 3.5Å; V78-F87 HydrophobicContact CG1-CE2 3.63Å; V78-F87 HydrophobicContact CG1-CG 4.42Å; V78-L92 HydrophobicContact CG1-CD1 4.29Å; V78-L92 HydrophobicContact CG1-CD2 4.04Å
79R96.7Very high96.3Very high80 Ų8055.2 Ų55.230%0.30229%0.291SS..Hα-helixtrans-64.9-24.7-179.2-66.6176.4-175.3140.2-2.3113.2V75 D76 R84 L92 T94V75-R79 WeakPolarHBondContact O-CG 2.93Å; V75-R79 PolarHBondContact O-N 3.38Å; D76-R79 PolarHBondContact O-N 3.24Å; D76-R79 WeakPolarHBondContact OD1-CD 3.09Å; D76-R79 IonicContact OD1-CZ 2.78Å; D76-R79 IonicContact OD1-NE 3.42Å; D76-R79 IonicContact OD1-NH1 3.58Å; D76-R79 PolarHBondContact OD1-NH1 3.46Å; R79-R84 WeakPolarHBondContact O-CB 3.04Å; R79-L92 HydrophobicContact CG-CB 4.48Å; R79-L92 HydrophobicContact CG-CD1 3.59Å; R79-L92 PolarHBondContact NH2-O 3.15Å; R79-T94 PolarHBondContact NH1-OG1 3.41Å; R79-T94 VanDerWaalsContact NH2-CG2 3.32Å; R79-T94 PolarHBondContact NH2-OG1 3.11Å
80T96.5Very high96.2Very high104 Ų10459.4 Ų59.464%0.63831%0.311SS*.Hα-helixtrans-108.9-14.8-177.758.30000113.6D76 V78D76-T80 WeakPolarHBondContact O-CB 3.49Å; D76-T80 WeakPolarHBondContact O-CG2 3.24Å; D76-T80 PolarHBondContact O-N 3.07Å; D76-T80 PolarHBondContact O-OG1 3.25Å; V78-T80 PolarHBondContact O-N 3.36Å
81G94.9Very high96.2Very high30 Ų3060.1 Ų60.131%0.30931%0.314SS..SBendtrans-76.9-175.7-176.900000115.1E77 V78 Y83 R84E77-G81 VanDerWaalsContact O-CA 3.32Å; E77-G81 WeakPolarHBondContact O-CA 3.48Å; E77-G81 PolarHBondContact O-N 2.97Å; V78-G81 PolarHBondContact O-N 3.33Å; G81-Y83 VanDerWaalsContact C-N 3.26Å; G81-Y83 PolarHBondContact O-N 3.21Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.39Å; G81-R84 WeakPolarHBondContact O-CG 3.31Å; G81-R84 PolarHBondContact O-N 3.1Å; G81-R84 VanDerWaalsContact O-N 3.14Å
82T95Very high96.3Very high116 Ų11657.9 Ų57.971%0.71230%0.304SS*.THydrogen-bonded Turntrans-55.8-39-176.2-52.30000112.9P32P32-T82 HydrophobicContact CB-CG2 4.19Å; P32-T82 WeakPolarHBondContact CB-O 3.47Å; P32-T82 HydrophobicContact CG-CG2 4.2Å
83Y95.5Very high96.4Very high32 Ų3256 Ų5613%0.12529%0.291CS..THydrogen-bonded Turntrans-94.615.9-176.6-68.2-86000113.7E22 C25 P32 G81 Q85 L86E22-Y83 HydrophobicContact CB-CE2 3.79Å; E22-Y83 HydrophobicContact CG-CE2 4.02Å; E22-Y83 WeakPolarHBondContact CG-OH 3.35Å; C25-Y83 HydrophobicContact CB-CE1 3.92Å; P32-Y83 HydrophobicContact CB-CD1 3.72Å; P32-Y83 HydrophobicContact CB-CE1 3.82Å; P32-Y83 HydrophobicContact CB-CG 4.3Å; P32-Y83 HydrophobicContact CG-CD1 4.33Å; P32-Y83 HydrophobicContact CG-CE1 3.91Å; G81-Y83 VanDerWaalsContact C-N 3.26Å; G81-Y83 PolarHBondContact O-N 3.21Å; Y83-Q85 PolarHBondContact O-N 3.49Å; Y83-L86 HydrophobicContact CD1-CB 4.36Å; Y83-L86 HydrophobicContact CD1-CD2 3.82Å; Y83-L86 WeakPolarHBondContact O-CB 3.49Å; Y83-L86 PolarHBondContact O-N 2.85Å
84R95.1Very high96.5Very high148 Ų14854 Ų5456%0.55828%0.279SS*.THydrogen-bonded Turntrans-54.3-27.8-178.366.2-173.9-176.4-177.4-0.7115V78 R79 G81V78-R84 WeakPolarHBondContact O-CA 3.46Å; R79-R84 WeakPolarHBondContact O-CB 3.04Å; G81-R84 VanDerWaalsContact O-CB 3.29Å; G81-R84 WeakPolarHBondContact O-CB 3.39Å; G81-R84 WeakPolarHBondContact O-CG 3.31Å; G81-R84 PolarHBondContact O-N 3.1Å; G81-R84 VanDerWaalsContact O-N 3.14Å
85Q95.6Very high96.4Very high107 Ų10754.5 Ų54.550%0.529%0.285SS..THydrogen-bonded Turntrans-88.7-14.1179.1-73.7179.8-8.700112.4D33 K60 Y83D33-Q85 HydrophobicContact CB-CB 4.16Å; K60-Q85 WeakPolarHBondContact CE-O 3.24Å; K60-Q85 PolarHBondContact NZ-O 2.69Å; Y83-Q85 PolarHBondContact O-N 3.49Å
86L97Very high96.2Very high0 Ų064.1 Ų64.10%033%0.327CS..THydrogen-bonded Turntrans-69.1-49.3-178.7-17666.2000111.5C25 I30 P32 F53 P63 Y83C25-L86 VanDerWaalsContact SG-CD2 3.55Å; I30-L86 HydrophobicContact CG2-CD1 4.22Å; P32-L86 WeakPolarHBondContact O-CB 3.41Å; P32-L86 PolarHBondContact O-N 2.88Å; F53-L86 HydrophobicContact CE1-CD1 4.33Å; P63-L86 WeakPolarHBondContact CD-O 3.43Å; P63-L86 HydrophobicContact CG-CD1 4.25Å; P63-L86 HydrophobicContact CG-CD2 3.73Å; P63-L86 HydrophobicContact CG-CG 3.64Å; Y83-L86 HydrophobicContact CD1-CB 4.36Å; Y83-L86 HydrophobicContact CD1-CD2 3.82Å; Y83-L86 WeakPolarHBondContact O-CB 3.49Å; Y83-L86 PolarHBondContact O-N 2.85Å
87F96.6Very high95.9Very high5 Ų566 Ų662%0.02233%0.334CS..SBendtrans-82148.9-171.7-56.7-75.2000112.5W21 P63 F67 V78 L92W21-F87 HydrophobicContact CB-CE1 4.26Å; W21-F87 HydrophobicContact CB-CZ 3.81Å; W21-F87 AromaticContact CD1-CE1 3.74Å; W21-F87 AromaticContact CD1-CZ 3.82Å; W21-F87 HydrophobicContact CD2-CE1 4.17Å; W21-F87 AromaticContact CG-CE1 3.8Å; W21-F87 HydrophobicContact CG-CE1 3.8Å; W21-F87 AromaticContact CG-CZ 3.81Å; W21-F87 HydrophobicContact CG-CZ 3.81Å; P63-F87 HydrophobicContact CB-CD1 3.9Å; P63-F87 HydrophobicContact CB-CE1 3.9Å; P63-F87 HydrophobicContact CG-CD1 3.71Å; P63-F87 HydrophobicContact CG-CE1 3.62Å; F67-F87 HydrophobicContact CD2-CD1 4.34Å; F67-F87 HydrophobicContact CD2-CE1 4.47Å; F67-F87 AromaticContact CE2-CD1 3.57Å; F67-F87 HydrophobicContact CE2-CD1 3.57Å; F67-F87 AromaticContact CE2-CE1 3.35Å; F67-F87 HydrophobicContact CE2-CE1 3.35Å; F67-F87 HydrophobicContact CE2-CG 4.28Å; F67-F87 AromaticContact CE2-CZ 3.89Å; F67-F87 HydrophobicContact CE2-CZ 3.89Å; F67-F87 HydrophobicContact CZ-CD1 4.3Å; F67-F87 AromaticContact CZ-CE1 3.66Å; F67-F87 HydrophobicContact CZ-CE1 3.66Å; F67-F87 HydrophobicContact CZ-CE2 4.49Å; F67-F87 AromaticContact CZ-CZ 3.76Å; F67-F87 HydrophobicContact CZ-CZ 3.76Å; V78-F87 HydrophobicContact CG1-CD2 3.5Å; V78-F87 HydrophobicContact CG1-CE2 3.63Å; V78-F87 HydrophobicContact CG1-CG 4.42Å; F87-L92 HydrophobicContact CB-CD1 4.26Å; F87-L92 HydrophobicContact CB-CD2 4.02Å; F87-L92 HydrophobicContact CB-CG 4.24Å; F87-L92 HydrophobicContact CG-CD2 4.32Å
88H95.7Very high95.6Very high78 Ų7865 Ų6536%0.36133%0.332SS..  trans-71.4128.7171.7-166.7-83.9000109.4V62 E90 Q91V62-H88 HydrophobicContact CG1-CB 4.06Å; H88-E90 IonicContact CE1-OE2 3.18Å; H88-E90 PolarHBondContact CE1-OE2 2.8Å; H88-E90 WeakPolarHBondContact ND1-CB 3.34Å; H88-E90 PolarHBondContact ND1-N 3.22Å; H88-E90 PolarHBondContact O-N 3.14Å; H88-E90 VanDerWaalsContact O-N 3.11Å; H88-Q91 HydrophobicContact CB-CB 4.31Å; H88-Q91 VanDerWaalsContact CB-CD 3.44Å; H88-Q91 HydrophobicContact CB-CG 3.86Å; H88-Q91 WeakPolarHBondContact O-CB 3.43Å; H88-Q91 PolarHBondContact O-N 3.04Å
89P96.1Very high95.3Very high100 Ų10065 Ų6565%0.64933%0.332SS*.G310 helixtrans-55.6-35.9-176.3-28.635.5000113.9Q91 L92P89-Q91 PolarHBondContact O-N 2.7Å; P89-L92 PolarHBondContact O-N 3.39Å
90E96.4Very high95Very high95 Ų9564.1 Ų64.144%0.44434%0.342SS..G310 helixtrans-74.9-8178.5-55.2-172.4124.200114.9H88 R121H88-E90 IonicContact CE1-OE2 3.18Å; H88-E90 PolarHBondContact CE1-OE2 2.8Å; H88-E90 WeakPolarHBondContact ND1-CB 3.34Å; H88-E90 PolarHBondContact ND1-N 3.22Å; H88-E90 PolarHBondContact O-N 3.14Å; H88-E90 VanDerWaalsContact O-N 3.11Å; E90-R121 WeakPolarHBondContact O-CD 3.4Å; E90-R121 IonicContact OE1-CZ 3.15Å; E90-R121 IonicContact OE1-NH1 3.07Å; E90-R121 PolarHBondContact OE1-NH1 3.11Å; E90-R121 IonicContact OE1-NH2 2.59Å; E90-R121 PolarHBondContact OE1-NH2 3.05Å; E90-R121 IonicContact OE2-CZ 3.54Å; E90-R121 VanDerWaalsContact OE2-CZ 3.28Å; E90-R121 IonicContact OE2-NH1 2.76Å; E90-R121 PolarHBondContact OE2-NH1 3.43Å; E90-R121 IonicContact OE2-NH2 3.49Å; E90-R121 PolarHBondContact OE2-NH2 2.69Å
91Q97.3Very high94.9Very high14 Ų1462.8 Ų62.87%0.06533%0.331CS..G310 helixtrans-90.5-10.7171.2-69166.11.700111.9P63 A65 F67 H88 P89 I93 L125P63-Q91 PolarHBondContact O-OE1 2.82Å; A65-Q91 VanDerWaalsContact O-CB 3.26Å; A65-Q91 WeakPolarHBondContact O-CB 3.2Å; A65-Q91 VanDerWaalsContact O-CG 3.24Å; A65-Q91 WeakPolarHBondContact O-CG 3.44Å; A65-Q91 PolarHBondContact O-OE1 3.14Å; F67-Q91 PolarHBondContact N-O 3.39Å; H88-Q91 HydrophobicContact CB-CB 4.31Å; H88-Q91 VanDerWaalsContact CB-CD 3.44Å; H88-Q91 HydrophobicContact CB-CG 3.86Å; H88-Q91 WeakPolarHBondContact O-CB 3.43Å; H88-Q91 PolarHBondContact O-N 3.04Å; P89-Q91 PolarHBondContact O-N 2.7Å; Q91-I93 PolarHBondContact O-N 3.09Å; Q91-L125 HydrophobicContact CG-CD1 4.32Å
92L98.1Very high95Very high11 Ų1161.8 Ų61.86%0.05832%0.318CS..EExtended strand (participates in β ladder)trans-95.289.2174.6-56.8-178000107.8F67 V75 V78 R79 F87 P89F67-L92 HydrophobicContact CB-CD2 3.8Å; F67-L92 HydrophobicContact CD2-CD2 3.65Å; F67-L92 HydrophobicContact CE2-CD2 4.46Å; F67-L92 HydrophobicContact CG-CD2 3.88Å; V75-L92 HydrophobicContact CG1-CB 3.77Å; V75-L92 HydrophobicContact CG1-CD2 4.44Å; V78-L92 HydrophobicContact CG1-CD1 4.29Å; V78-L92 HydrophobicContact CG1-CD2 4.04Å; R79-L92 HydrophobicContact CG-CB 4.48Å; R79-L92 HydrophobicContact CG-CD1 3.59Å; R79-L92 PolarHBondContact NH2-O 3.15Å; F87-L92 HydrophobicContact CB-CD1 4.26Å; F87-L92 HydrophobicContact CB-CD2 4.02Å; F87-L92 HydrophobicContact CB-CG 4.24Å; F87-L92 HydrophobicContact CG-CD2 4.32Å; P89-L92 PolarHBondContact O-N 3.39Å
93I98.1Very high95.2Very high8 Ų856.5 Ų56.54%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-101.2128.1-170.1-56.8170.2000108.9V66 F67 V68 D69 Q91 I114 L117 V118 R121V66-I93 HydrophobicContact CG1-CD1 3.67Å; V66-I93 HydrophobicContact CG1-CG1 4.43Å; F67-I93 PolarHBondContact O-N 3.31Å; V68-I93 WeakPolarHBondContact CA-O 3.31Å; V68-I93 HydrophobicContact CG1-CG2 4.47Å; V68-I93 HydrophobicContact CG2-CB 4.39Å; D69-I93 PolarHBondContact N-O 3.2Å; Q91-I93 PolarHBondContact O-N 3.09Å; I93-I114 HydrophobicContact CG2-CD1 3.55Å; I93-I114 HydrophobicContact CG2-CG1 3.87Å; I93-L117 HydrophobicContact CG2-CD2 3.83Å; I93-L117 HydrophobicContact CG2-CG 4.32Å; I93-V118 HydrophobicContact CD1-CB 4.35Å; I93-V118 HydrophobicContact CD1-CG2 3.85Å; I93-V118 HydrophobicContact CG2-CG2 4.03Å; I93-R121 HydrophobicContact CD1-CB 4.04Å; I93-R121 HydrophobicContact CD1-CG 3.76Å
94T97.5Very high95.3Very high38 Ų3855 Ų5523%0.23328%0.279CS..EExtended strand (participates in β ladder)trans-133.7136178.750.70000110.7D69 P72 V75 R79D69-T94 CarbonylContact O-C 3.58Å; D69-T94 VanDerWaalsContact O-CA 3.24Å; D69-T94 WeakPolarHBondContact O-CA 3.39Å; P72-T94 HydrophobicContact CB-CG2 4.43Å; V75-T94 HydrophobicContact CB-CG2 3.38Å; V75-T94 HydrophobicContact CG1-CG2 3.66Å; V75-T94 HydrophobicContact CG2-CG2 3.73Å; R79-T94 PolarHBondContact NH1-OG1 3.41Å; R79-T94 VanDerWaalsContact NH2-CG2 3.32Å; R79-T94 PolarHBondContact NH2-OG1 3.11Å
95G94.5Very high95.4Very high16 Ų1650.1 Ų50.117%0.16526%0.261CS..  trans-76-167.4164.800000112D69 L70D69-G95 PolarHBondContact O-N 2.96Å; L70-G95 CarbonylContact O-C 3.58Å; L70-G95 WeakPolarHBondContact O-CA 3.28Å; L70-G95 PolarHBondContact O-N 3.37Å
96K92.3Very high95.5Very high202 Ų20245 Ų4588%0.87824%0.237SC*.SBendtrans-115.1-11.9179.9-64.3177.1-177.3170.40113.3L70L70-K96 PolarHBondContact O-N 2.83Å; L70-K96 VanDerWaalsContact O-N 3.16Å
97E90.7Very high95.6Very high103 Ų10345.3 Ų45.348%0.48124%0.238SC..SBendtrans-136.3132.6-172.4-69.5-173.3-132.400108.8L70 R105 I110L70-E97 CarbonylContact C-O 3.51Å; L70-E97 WeakPolarHBondContact CB-O 3.39Å; L70-E97 CarbonylContact O-C 3.6Å; L70-E97 PolarHBondContact O-N 3.16Å; E97-R105 IonicContact OE2-CZ 3.5Å; E97-R105 IonicContact OE2-NH2 3.28Å; E97-R105 PolarHBondContact OE2-NH2 2.85Å; E97-I110 HydrophobicContact CB-CD1 4.27Å; E97-I110 HydrophobicContact CB-CG2 4.43Å
98D90.6Very high95.6Very high75 Ų7547.4 Ų47.440%0.40125%0.247SC..  trans-69.3163.3177.965.456.5000112.2E71 A100 R105E71-D98 HydrophobicContact CB-CB 3.87Å; E71-D98 HydrophobicContact CG-CB 3.97Å; D98-A100 PolarHBondContact O-N 2.95Å; D98-A100 VanDerWaalsContact OD1-CA 3.22Å; D98-A100 WeakPolarHBondContact OD1-CA 3.37Å; D98-A100 WeakPolarHBondContact OD1-CB 3.42Å; D98-A100 PolarHBondContact OD1-N 3.12Å; D98-R105 PolarHBondContact O-NE 3.05Å
99A90.9Very high95.7Very high4 Ų445.6 Ų45.63%0.03324%0.241CC..  trans-78.3-4.2172.500000113.1L70 N101 N102L70-A99 HydrophobicContact CD1-CB 4.14Å; A99-N101 PolarHBondContact O-N 3.22Å; A99-N101 VanDerWaalsContact O-N 3.11Å; A99-N102 WeakPolarHBondContact O-CB 3.39Å; A99-N102 PolarHBondContact O-N 3.39Å
100A91.3Very high95.7Very high61 Ų6141.5 Ų41.550%0.50421%0.214SC..THydrogen-bonded Turntrans47.936.2-173.900000114.4D98 N102D98-A100 PolarHBondContact O-N 2.95Å; D98-A100 VanDerWaalsContact OD1-CA 3.22Å; D98-A100 WeakPolarHBondContact OD1-CA 3.37Å; D98-A100 WeakPolarHBondContact OD1-CB 3.42Å; D98-A100 PolarHBondContact OD1-N 3.12Å; A100-N102 PolarHBondContact O-N 2.9Å
101N93.9Very high95.7Very high75 Ų7537 Ų3740%0.40119%0.193SC..THydrogen-bonded Turntrans56.524.1-171.5-66.9-52.7000115.1A99 A180 V182 N186A99-N101 PolarHBondContact O-N 3.22Å; A99-N101 VanDerWaalsContact O-N 3.11Å; N101-A180 HydrophobicContact CB-CB 3.71Å; N101-V182 WeakPolarHBondContact O-CG2 3.28Å; N101-N186 PolarHBondContact O-ND2 3.14Å
102N96.7Very high95.7Very high9 Ų941.1 Ų41.15%0.04821%0.21CC..  trans-109.4117.7-179-175.9-24.7000110.4A99 A100 A104 R105 G106 W407A99-N102 WeakPolarHBondContact O-CB 3.39Å; A99-N102 PolarHBondContact O-N 3.39Å; A100-N102 PolarHBondContact O-N 2.9Å; N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 3.32Å; N102-A104 WeakPolarHBondContact OD1-CB 3.48Å; N102-A104 PolarHBondContact OD1-N 3.23Å; N102-R105 HydrophobicContact CB-CB 4.06Å; N102-R105 PolarHBondContact O-N 2.84Å; N102-R105 PolarHBondContact OD1-N 3.05Å; N102-G106 PolarHBondContact O-N 3.21Å; N102-G106 VanDerWaalsContact O-N 3.17Å; N102-W407 PolarHBondContact ND2-O 3.43Å
103Y98.3Very high95.6Very high6 Ų648 Ų482%0.02424%0.242CC..Hα-helixtrans-52.3-47.5174.2173.5-81000112R105 G106 H107 Y108 G148 S151 N186 L189 T193Y103-R105 VanDerWaalsContact C-N 3.25Å; Y103-R105 PolarHBondContact O-N 3.42Å; Y103-G106 CarbonylContact O-C 3.22Å; Y103-G106 WeakPolarHBondContact O-CA 3.49Å; Y103-G106 PolarHBondContact O-N 2.93Å; Y103-H107 HydrophobicContact CD1-CB 4.3Å; Y103-H107 HydrophobicContact CE1-CB 3.92Å; Y103-H107 AromaticContact CZ-CD2 3.81Å; Y103-H107 WeakPolarHBondContact O-CB 3.39Å; Y103-H107 PolarHBondContact O-N 2.91Å; Y103-H107 PolarHBondContact OH-CD2 3.42Å; Y103-H107 VanDerWaalsContact OH-CD2 3.31Å; Y103-Y108 HydrophobicContact CE1-CE2 4.36Å; Y103-G148 VanDerWaalsContact CD2-N 3.33Å; Y103-G148 WeakPolarHBondContact O-CA 3.45Å; Y103-S151 WeakPolarHBondContact CE2-OG 3.19Å; Y103-S151 VanDerWaalsContact OH-CB 3.25Å; Y103-S151 WeakPolarHBondContact OH-CB 3.37Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.36Å; Y103-N186 PolarHBondContact N-OD1 3Å; Y103-L189 HydrophobicContact CD1-CB 4.02Å; Y103-L189 HydrophobicContact CD1-CD1 3.67Å; Y103-L189 HydrophobicContact CD1-CG 4.43Å; Y103-L189 HydrophobicContact CD2-CB 3.8Å; Y103-L189 HydrophobicContact CE1-CB 3.95Å; Y103-L189 HydrophobicContact CE1-CD1 4.21Å; Y103-L189 HydrophobicContact CE2-CB 3.71Å; Y103-L189 HydrophobicContact CG-CB 3.98Å; Y103-L189 HydrophobicContact CG-CD1 3.9Å; Y103-T193 PolarHBondContact OH-OG1 2.9Å
104A98.2Very high95.5Very high0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-64.4-33.9-174.600000111.7N102 H107 Y108 Y408 E411 M413N102-A104 VanDerWaalsContact C-N 3.3Å; N102-A104 PolarHBondContact O-N 3.32Å; N102-A104 WeakPolarHBondContact OD1-CB 3.48Å; N102-A104 PolarHBondContact OD1-N 3.23Å; A104-H107 PolarHBondContact O-N 2.88Å; A104-Y108 HydrophobicContact CB-CD2 3.98Å; A104-Y108 WeakPolarHBondContact O-CA 3.26Å; A104-Y108 WeakPolarHBondContact O-CB 3.15Å; A104-Y108 PolarHBondContact O-N 2.98Å; A104-Y408 HydrophobicContact CB-CD1 3.88Å; A104-Y408 HydrophobicContact CB-CG 4.22Å; A104-E411 HydrophobicContact CB-CB 3.87Å; A104-E411 HydrophobicContact CB-CG 4.49Å; A104-M413 HydrophobicContact CB-CB 3.9Å; A104-M413 HydrophobicContact CB-SD 4.09Å
105R97.4Very high95.5Very high45 Ų4546.8 Ų46.817%0.1723%0.234CC..Hα-helixtrans-67.5-38.6173.2-169.1170.4170.392.22.7112.1E97 D98 N102 Y103 H107 T109 I110 G111 E411E97-R105 IonicContact OE2-CZ 3.5Å; E97-R105 IonicContact OE2-NH2 3.28Å; E97-R105 PolarHBondContact OE2-NH2 2.85Å; D98-R105 PolarHBondContact O-NE 3.05Å; N102-R105 HydrophobicContact CB-CB 4.06Å; N102-R105 PolarHBondContact O-N 2.84Å; N102-R105 PolarHBondContact OD1-N 3.05Å; Y103-R105 VanDerWaalsContact C-N 3.25Å; Y103-R105 PolarHBondContact O-N 3.42Å; R105-H107 VanDerWaalsContact C-N 3.32Å; R105-T109 WeakPolarHBondContact CA-OG1 3.45Å; R105-T109 PolarHBondContact O-OG1 3.01Å; R105-I110 HydrophobicContact CG-CB 4.35Å; R105-I110 HydrophobicContact CG-CG1 3.63Å; R105-I110 PolarHBondContact O-N 2.87Å; R105-G111 PolarHBondContact O-N 2.62Å; R105-E411 HydrophobicContact CB-CG 4.09Å; R105-E411 IonicContact NH1-OE1 3.53Å; R105-E411 PolarHBondContact NH1-OE1 2.86Å
106G97.7Very high95.7Very high0 Ų051.6 Ų51.60%026%0.256CS..Hα-helixtrans-67.6-26.3173.400000114.3N102 Y103 G111 G148 F149N102-G106 PolarHBondContact O-N 3.21Å; N102-G106 VanDerWaalsContact O-N 3.17Å; Y103-G106 CarbonylContact O-C 3.22Å; Y103-G106 WeakPolarHBondContact O-CA 3.49Å; Y103-G106 PolarHBondContact O-N 2.93Å; G106-G111 VanDerWaalsContact O-CA 3.24Å; G106-G111 WeakPolarHBondContact O-CA 3.34Å; G106-G148 CarbonylContact O-C 3.34Å; G106-F149 WeakPolarHBondContact O-CA 3.23Å; G106-F149 WeakPolarHBondContact O-CB 3.49Å; G106-F149 PolarHBondContact O-N 3.32Å
107H98.5Very high96Very high6 Ų645.8 Ų45.83%0.02823%0.234CC..Hα-helixtrans-104.4-49.6-175.3-170.2-61.9000113.4Y103 A104 R105 K112 G148 L152 E155Y103-H107 HydrophobicContact CD1-CB 4.3Å; Y103-H107 HydrophobicContact CE1-CB 3.92Å; Y103-H107 AromaticContact CZ-CD2 3.81Å; Y103-H107 WeakPolarHBondContact O-CB 3.39Å; Y103-H107 PolarHBondContact O-N 2.91Å; Y103-H107 PolarHBondContact OH-CD2 3.42Å; Y103-H107 VanDerWaalsContact OH-CD2 3.31Å; A104-H107 PolarHBondContact O-N 2.88Å; R105-H107 VanDerWaalsContact C-N 3.32Å; H107-K112 WeakPolarHBondContact O-CG 3.09Å; H107-G148 WeakPolarHBondContact CB-O 3.42Å; H107-L152 PolarHBondContact CD2-N 2.77Å; H107-L152 WeakPolarHBondContact O-CD2 3.21Å; H107-E155 IonicContact CD2-OE1 2.92Å; H107-E155 IonicContact CE1-OE1 3.72Å; H107-E155 IonicContact CE1-OE2 3.41Å; H107-E155 IonicContact NE2-OE1 3.66Å; H107-E155 PolarHBondContact NE2-OE1 3.39Å; H107-E155 IonicContact NE2-OE2 3.81Å
108Y97.8Very high96.3Very high50 Ų5040.9 Ų40.920%0.19621%0.212CC..Hα-helixtrans-93.9-24.6-168.3-66.8-76.3000114.8Y103 A104 K112 E411 M413 E417Y103-Y108 HydrophobicContact CE1-CE2 4.36Å; A104-Y108 HydrophobicContact CB-CD2 3.98Å; A104-Y108 WeakPolarHBondContact O-CA 3.26Å; A104-Y108 WeakPolarHBondContact O-CB 3.15Å; A104-Y108 PolarHBondContact O-N 2.98Å; Y108-K112 VanDerWaalsContact O-CD 3.23Å; Y108-K112 WeakPolarHBondContact O-CD 3.34Å; Y108-K112 PolarHBondContact O-NZ 3.02Å; Y108-E411 WeakPolarHBondContact CB-O 3.37Å; Y108-M413 HydrophobicContact CD2-CB 3.74Å; Y108-M413 HydrophobicContact CD2-CG 4.22Å; Y108-M413 HydrophobicContact CE2-CB 3.67Å; Y108-M413 HydrophobicContact CE2-CG 3.63Å; Y108-M413 HydrophobicContact CE2-SD 4.35Å; Y108-E417 PolarHBondContact OH-OE1 2.72Å; Y108-E417 PolarHBondContact OH-OE2 3Å
109T96.7Very high96.7Very high39 Ų3938.2 Ų38.224%0.23920%0.197CC..SBendtrans-121.3-93.3-174.860.20000112.4R105 G111 K112 E113 E411R105-T109 WeakPolarHBondContact CA-OG1 3.45Å; R105-T109 PolarHBondContact O-OG1 3.01Å; T109-G111 PolarHBondContact O-N 3.41Å; T109-K112 WeakPolarHBondContact O-CB 3.48Å; T109-K112 PolarHBondContact O-N 3.01Å; T109-E113 PolarHBondContact O-N 2.91Å; T109-E411 WeakPolarHBondContact CB-OE2 3.37Å; T109-E411 HydrophobicContact CG2-CB 4.07Å; T109-E411 WeakPolarHBondContact CG2-O 3.49Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.32Å; T109-E411 PolarHBondContact OG1-OE2 3.16Å
110I96.6Very high97.1Very high15 Ų1540.4 Ų40.48%0.07721%0.208CC..Hα-helixtrans-59.5-37.3-172-53-57.3000111.3L70 E97 R105 K112 E113L70-I110 HydrophobicContact CB-CG2 4.07Å; L70-I110 HydrophobicContact CD1-CB 4.11Å; L70-I110 HydrophobicContact CD1-CG2 3.98Å; L70-I110 HydrophobicContact CD2-CG2 4.32Å; L70-I110 HydrophobicContact CG-CG2 4.34Å; E97-I110 HydrophobicContact CB-CD1 4.27Å; E97-I110 HydrophobicContact CB-CG2 4.43Å; R105-I110 HydrophobicContact CG-CB 4.35Å; R105-I110 HydrophobicContact CG-CG1 3.63Å; R105-I110 PolarHBondContact O-N 2.87Å; I110-K112 PolarHBondContact O-N 3.41Å; I110-E113 WeakPolarHBondContact O-CB 3.44Å; I110-E113 PolarHBondContact O-N 3.32Å
111G97.2Very high97.4Very high0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-61.9-38.4174.500000114.4R105 G106 T109 E113 I114 V115 F149R105-G111 PolarHBondContact O-N 2.62Å; G106-G111 VanDerWaalsContact O-CA 3.24Å; G106-G111 WeakPolarHBondContact O-CA 3.34Å; T109-G111 PolarHBondContact O-N 3.41Å; G111-E113 PolarHBondContact O-N 3.4Å; G111-I114 PolarHBondContact O-N 3.19Å; G111-V115 WeakPolarHBondContact O-CB 3.34Å; G111-V115 PolarHBondContact O-N 2.94Å; G111-F149 WeakPolarHBondContact O-CE2 3.43Å
112K96.5Very high97.6Very high100 Ų10035.7 Ų35.744%0.43517%0.172SC..Hα-helixtrans-64.4-28.6177.2-67.1-165.2178.9150.80112.5H107 Y108 T109 I110 I114 L152H107-K112 WeakPolarHBondContact O-CG 3.09Å; Y108-K112 VanDerWaalsContact O-CD 3.23Å; Y108-K112 WeakPolarHBondContact O-CD 3.34Å; Y108-K112 PolarHBondContact O-NZ 3.02Å; T109-K112 WeakPolarHBondContact O-CB 3.48Å; T109-K112 PolarHBondContact O-N 3.01Å; I110-K112 PolarHBondContact O-N 3.41Å; K112-I114 VanDerWaalsContact C-N 3.26Å; K112-I114 PolarHBondContact O-N 2.84Å; K112-L152 HydrophobicContact CG-CD2 4.08Å
113E95.9Very high97.7Very high156 Ų15640.3 Ų40.373%0.72919%0.188SC*.Hα-helixtrans-69.1-25.7178.4-58.7-172174.300112.8T109 I110 G111T109-E113 PolarHBondContact O-N 2.91Å; I110-E113 WeakPolarHBondContact O-CB 3.44Å; I110-E113 PolarHBondContact O-N 3.32Å; G111-E113 PolarHBondContact O-N 3.4Å
114I96.6Very high97.6Very high14 Ų1443.6 Ų43.67%0.07220%0.203CC..Hα-helixtrans-112.4-17.2-174.1-155.7168.3000114.1L70 I93 G111 K112 D116 L117 V118 F149L70-I114 HydrophobicContact CD2-CG2 3.5Å; I93-I114 HydrophobicContact CG2-CD1 3.55Å; I93-I114 HydrophobicContact CG2-CG1 3.87Å; G111-I114 PolarHBondContact O-N 3.19Å; K112-I114 VanDerWaalsContact C-N 3.26Å; K112-I114 PolarHBondContact O-N 2.84Å; I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.12Å; I114-L117 HydrophobicContact CG1-CB 4.48Å; I114-L117 HydrophobicContact CG1-CD2 4.27Å; I114-L117 WeakPolarHBondContact O-CB 3.36Å; I114-L117 PolarHBondContact O-N 2.66Å; I114-V118 HydrophobicContact CG1-CG2 4.44Å; I114-V118 PolarHBondContact O-N 3.48Å; I114-V118 VanDerWaalsContact O-N 3.1Å; I114-F149 HydrophobicContact CG2-CD2 4.17Å; I114-F149 HydrophobicContact CG2-CE2 3.51Å; I114-F149 HydrophobicContact CG2-CZ 3.93Å
115V98.1Very high97.6Very high6 Ų643.8 Ų43.84%0.03620%0.204CC..Hα-helixtrans-56.3-42-174.669.80000112.8G111 L117 V118 L119 F149 L152 L153 R156G111-V115 WeakPolarHBondContact O-CB 3.34Å; G111-V115 PolarHBondContact O-N 2.94Å; V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 2.98Å; V115-V118 PolarHBondContact O-N 3.09Å; V115-V118 VanDerWaalsContact O-N 3.13Å; V115-L119 HydrophobicContact CG2-CD1 4.01Å; V115-L119 HydrophobicContact CG2-CG 4.27Å; V115-L119 WeakPolarHBondContact O-CB 3.48Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 3.08Å; V115-F149 HydrophobicContact CB-CE2 3.91Å; V115-F149 HydrophobicContact CB-CZ 4.49Å; V115-F149 HydrophobicContact CG2-CE2 4.28Å; V115-L152 HydrophobicContact CB-CD2 3.85Å; V115-L152 HydrophobicContact CB-CG 4.45Å; V115-L152 HydrophobicContact CG1-CD2 4.08Å; V115-L152 HydrophobicContact CG2-CD2 4.06Å; V115-L152 HydrophobicContact CG2-CG 4.12Å; V115-L153 HydrophobicContact CG2-CD1 4.45Å; V115-R156 HydrophobicContact CG2-CG 4.21Å
116D98Very high97.6Very high117 Ų11742.3 Ų42.363%0.62620%0.201SC*.Hα-helixtrans-64.5-36-179.9-70.9-22.4000112.1I114 D120I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.12Å; D116-D120 PolarHBondContact O-N 3.48Å
117L97.7Very high97.5Very high81 Ų8147.5 Ų47.542%0.42423%0.229SC..Hα-helixtrans-65.5-43.6174.417563.4000110.7I93 I114 V115 D120 R121I93-L117 HydrophobicContact CG2-CD2 3.83Å; I93-L117 HydrophobicContact CG2-CG 4.32Å; I114-L117 HydrophobicContact CG1-CB 4.48Å; I114-L117 HydrophobicContact CG1-CD2 4.27Å; I114-L117 WeakPolarHBondContact O-CB 3.36Å; I114-L117 PolarHBondContact O-N 2.66Å; V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 2.98Å; L117-D120 PolarHBondContact O-N 2.9Å; L117-R121 WeakPolarHBondContact O-CG 3.38Å; L117-R121 PolarHBondContact O-N 3.23Å
118V98.5Very high97.3Very high0 Ų052.6 Ų52.60%025%0.253CS..Hα-helixtrans-64.1-45.5178176.30000110.6V66 V68 I93 I114 V115 D120 R121 I122 F149 L153V66-V118 HydrophobicContact CG1-CG1 4.43Å; V68-V118 HydrophobicContact CB-CG2 4.47Å; V68-V118 HydrophobicContact CG1-CG2 3.82Å; V68-V118 HydrophobicContact CG2-CG1 3.89Å; V68-V118 HydrophobicContact CG2-CG2 3.76Å; I93-V118 HydrophobicContact CD1-CB 4.35Å; I93-V118 HydrophobicContact CD1-CG2 3.85Å; I93-V118 HydrophobicContact CG2-CG2 4.03Å; I114-V118 HydrophobicContact CG1-CG2 4.44Å; I114-V118 PolarHBondContact O-N 3.48Å; I114-V118 VanDerWaalsContact O-N 3.1Å; V115-V118 PolarHBondContact O-N 3.09Å; V115-V118 VanDerWaalsContact O-N 3.13Å; V118-D120 PolarHBondContact O-N 3.37Å; V118-R121 PolarHBondContact O-N 3.4Å; V118-R121 VanDerWaalsContact O-N 3.16Å; V118-I122 HydrophobicContact CG1-CD1 3.79Å; V118-I122 HydrophobicContact CG1-CG1 4.42Å; V118-I122 WeakPolarHBondContact O-CG1 3.12Å; V118-I122 PolarHBondContact O-N 3.05Å; V118-F149 HydrophobicContact CB-CZ 4.17Å; V118-F149 HydrophobicContact CG1-CZ 4.39Å; V118-F149 HydrophobicContact CG2-CE1 4.29Å; V118-F149 HydrophobicContact CG2-CZ 3.76Å; V118-L153 HydrophobicContact CG1-CD1 4.05Å; V118-L153 HydrophobicContact CG1-CD2 4.14Å
119L98.4Very high97.2Very high19 Ų1951 Ų5110%0.09925%0.249CC..Hα-helixtrans-61.7-41.4177.1-71.5170.2000112.4V115 R121 I122 R123 L153 R156 L157V115-L119 HydrophobicContact CG2-CD1 4.01Å; V115-L119 HydrophobicContact CG2-CG 4.27Å; V115-L119 WeakPolarHBondContact O-CB 3.48Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 3.08Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 2.99Å; L119-I122 PolarHBondContact O-N 3.27Å; L119-R123 VanDerWaalsContact O-CB 3.32Å; L119-R123 WeakPolarHBondContact O-CB 3.47Å; L119-R123 PolarHBondContact O-N 2.97Å; L119-L153 HydrophobicContact CD2-CD1 3.83Å; L119-L153 HydrophobicContact CG-CD1 4.28Å; L119-R156 HydrophobicContact CD1-CB 3.7Å; L119-R156 HydrophobicContact CD1-CG 3.96Å; L119-R156 HydrophobicContact CD2-CB 3.86Å; L119-R156 HydrophobicContact CG-CB 4.35Å; L119-L157 HydrophobicContact CD2-CD2 4.23Å
120D98.3Very high96.9Very high49 Ų4954.5 Ų54.526%0.26227%0.271SS..Hα-helixtrans-61.6-38175178.564.3000112D116 L117 V118 R123 K124D116-D120 PolarHBondContact O-N 3.48Å; L117-D120 PolarHBondContact O-N 2.9Å; V118-D120 PolarHBondContact O-N 3.37Å; D120-R123 PolarHBondContact O-N 3.32Å; D120-R123 IonicContact OD1-CZ 2.78Å; D120-R123 IonicContact OD1-NE 3.48Å; D120-R123 IonicContact OD1-NH2 3.41Å; D120-R123 PolarHBondContact OD1-NH2 3.36Å; D120-K124 WeakPolarHBondContact O-CG 3.39Å; D120-K124 PolarHBondContact O-N 3.47Å; D120-K124 WeakPolarHBondContact OD2-CE 3.4Å; D120-K124 IonicContact OD2-NZ 3.33Å; D120-K124 PolarHBondContact OD2-NZ 3.42Å
121R97.9Very high96.7Very high38 Ų3855.1 Ų55.114%0.14328%0.281CS..Hα-helixtrans-69.7-42176.2-64.4-60174.8-173.35112.4E90 I93 L117 V118 L119 R123 K124 L125E90-R121 WeakPolarHBondContact O-CD 3.4Å; E90-R121 IonicContact OE1-CZ 3.15Å; E90-R121 IonicContact OE1-NH1 3.07Å; E90-R121 PolarHBondContact OE1-NH1 3.11Å; E90-R121 IonicContact OE1-NH2 2.59Å; E90-R121 PolarHBondContact OE1-NH2 3.05Å; E90-R121 IonicContact OE2-CZ 3.54Å; E90-R121 VanDerWaalsContact OE2-CZ 3.28Å; E90-R121 IonicContact OE2-NH1 2.76Å; E90-R121 PolarHBondContact OE2-NH1 3.43Å; E90-R121 IonicContact OE2-NH2 3.49Å; E90-R121 PolarHBondContact OE2-NH2 2.69Å; I93-R121 HydrophobicContact CD1-CB 4.04Å; I93-R121 HydrophobicContact CD1-CG 3.76Å; L117-R121 WeakPolarHBondContact O-CG 3.38Å; L117-R121 PolarHBondContact O-N 3.23Å; V118-R121 PolarHBondContact O-N 3.4Å; V118-R121 VanDerWaalsContact O-N 3.16Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 2.99Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R121-K124 PolarHBondContact O-N 3.49Å; R121-L125 PolarHBondContact O-N 3.02Å; R121-L125 VanDerWaalsContact O-N 3.09Å
122I98.5Very high96.6Very high0 Ų055.8 Ų55.80%028%0.284CS..Hα-helixtrans-61.2-44.6174.1-68.6168.6000110.4I7 V66 V118 L119 K124 L125 A126 F135 L153 L157 Y161I7-I122 HydrophobicContact CD1-CD1 3.63Å; I7-I122 HydrophobicContact CD1-CG1 4.33Å; I7-I122 HydrophobicContact CG1-CD1 4.33Å; V66-I122 HydrophobicContact CG2-CG1 4.04Å; V118-I122 HydrophobicContact CG1-CD1 3.79Å; V118-I122 HydrophobicContact CG1-CG1 4.42Å; V118-I122 WeakPolarHBondContact O-CG1 3.12Å; V118-I122 PolarHBondContact O-N 3.05Å; L119-I122 PolarHBondContact O-N 3.27Å; I122-K124 PolarHBondContact O-N 2.71Å; I122-L125 PolarHBondContact O-N 3.31Å; I122-L125 VanDerWaalsContact O-N 3.15Å; I122-A126 WeakPolarHBondContact O-CB 3.38Å; I122-A126 PolarHBondContact O-N 2.89Å; I122-F135 HydrophobicContact CG2-CD1 4.41Å; I122-F135 HydrophobicContact CG2-CE1 3.52Å; I122-F135 HydrophobicContact CG2-CZ 4.07Å; I122-L153 HydrophobicContact CD1-CD1 4.02Å; I122-L153 HydrophobicContact CD1-CD2 4.39Å; I122-L157 HydrophobicContact CD1-CD2 4.16Å; I122-L157 HydrophobicContact CG2-CD2 4.07Å; I122-Y161 HydrophobicContact CG2-CE2 4.28Å
123R98.1Very high96.4Very high105 Ų10553.2 Ų53.240%0.39627%0.274SS..Hα-helixtrans-58.2-47.6176.2-175.2-169.463.278.4-1.9112.2L119 D120 R121 L125 A126 D127 Y161L119-R123 VanDerWaalsContact O-CB 3.32Å; L119-R123 WeakPolarHBondContact O-CB 3.47Å; L119-R123 PolarHBondContact O-N 2.97Å; D120-R123 PolarHBondContact O-N 3.32Å; D120-R123 IonicContact OD1-CZ 2.78Å; D120-R123 IonicContact OD1-NE 3.48Å; D120-R123 IonicContact OD1-NH2 3.41Å; D120-R123 PolarHBondContact OD1-NH2 3.36Å; R121-R123 VanDerWaalsContact C-N 3.33Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 3.26Å; R123-A126 PolarHBondContact O-N 2.84Å; R123-A126 VanDerWaalsContact O-N 3.15Å; R123-D127 IonicContact CZ-OD2 3.91Å; R123-D127 IonicContact NH1-OD2 3.23Å; R123-D127 PolarHBondContact NH1-OD2 2.82Å; R123-D127 WeakPolarHBondContact O-CB 3.34Å; R123-D127 VanDerWaalsContact O-CG 3.22Å; R123-D127 PolarHBondContact O-N 3.37Å; R123-Y161 VanDerWaalsContact CA-OH 3.27Å; R123-Y161 WeakPolarHBondContact CA-OH 3.39Å
124K97.9Very high96.3Very high75 Ų7545.8 Ų45.833%0.32624%0.239SC..Hα-helixtrans-59.1-38.3176.1-75.4167.2175.4161.60112.4D120 R121 I122 Q128D120-K124 WeakPolarHBondContact O-CG 3.39Å; D120-K124 PolarHBondContact O-N 3.47Å; D120-K124 WeakPolarHBondContact OD2-CE 3.4Å; D120-K124 IonicContact OD2-NZ 3.33Å; D120-K124 PolarHBondContact OD2-NZ 3.42Å; R121-K124 PolarHBondContact O-N 3.49Å; I122-K124 PolarHBondContact O-N 2.71Å; K124-Q128 VanDerWaalsContact O-CG 3.26Å; K124-Q128 WeakPolarHBondContact O-CG 3.45Å; K124-Q128 PolarHBondContact O-N 3.36Å
125L97.3Very high96.3Very high5 Ų545.1 Ų45.13%0.02624%0.236CC..Hα-helixtrans-70.5-39.1175.4-74169.6000112.4I5 V66 Q91 R121 I122 R123 Q128 C129I5-L125 HydrophobicContact CD1-CB 3.7Å; I5-L125 HydrophobicContact CG1-CB 4.22Å; I5-L125 HydrophobicContact CG2-CD1 4.32Å; V66-L125 HydrophobicContact CG2-CD1 3.54Å; Q91-L125 HydrophobicContact CG-CD1 4.32Å; R121-L125 PolarHBondContact O-N 3.02Å; R121-L125 VanDerWaalsContact O-N 3.09Å; I122-L125 PolarHBondContact O-N 3.31Å; I122-L125 VanDerWaalsContact O-N 3.15Å; R123-L125 VanDerWaalsContact C-N 3.27Å; R123-L125 PolarHBondContact O-N 3.26Å; L125-Q128 WeakPolarHBondContact O-CB 3.34Å; L125-Q128 PolarHBondContact O-N 3.22Å; L125-C129 PolarHBondContact O-N 2.82Å; L125-C129 PolarHBondContact O-SG 2.79Å
126A96.9Very high96.3Very high14 Ų1444.9 Ų44.912%0.11623%0.234CC..Hα-helixtrans-64.2-42.6176.300000111.4I5 I122 R123 Q128 C129 L132 Y161I5-A126 HydrophobicContact CD1-CB 4.16Å; I122-A126 WeakPolarHBondContact O-CB 3.38Å; I122-A126 PolarHBondContact O-N 2.89Å; R123-A126 PolarHBondContact O-N 2.84Å; R123-A126 VanDerWaalsContact O-N 3.15Å; A126-Q128 PolarHBondContact O-N 2.95Å; A126-C129 WeakPolarHBondContact O-CB 3.38Å; A126-C129 PolarHBondContact O-N 3.32Å; A126-L132 HydrophobicContact CB-CD2 3.84Å; A126-Y161 HydrophobicContact CB-CE1 3.89Å
127D96.4Very high96.3Very high108 Ų10839.3 Ų39.358%0.57820%0.204SC*.Hα-helixtrans-62.2-27.5175.6-69.4-21.5000112.2R123 C129R123-D127 IonicContact CZ-OD2 3.91Å; R123-D127 IonicContact NH1-OD2 3.23Å; R123-D127 PolarHBondContact NH1-OD2 2.82Å; R123-D127 WeakPolarHBondContact O-CB 3.34Å; R123-D127 VanDerWaalsContact O-CG 3.22Å; R123-D127 PolarHBondContact O-N 3.37Å; D127-C129 VanDerWaalsContact C-N 3.33Å
128Q94.2Very high96.4Very high113 Ų11335.5 Ų35.553%0.52818%0.184SC..THydrogen-bonded Turntrans-83.6-5174.7-71.6172.7-100113.6R64 K124 L125 A126R64-Q128 PolarHBondContact NH1-O 2.91Å; K124-Q128 VanDerWaalsContact O-CG 3.26Å; K124-Q128 WeakPolarHBondContact O-CG 3.45Å; K124-Q128 PolarHBondContact O-N 3.36Å; L125-Q128 WeakPolarHBondContact O-CB 3.34Å; L125-Q128 PolarHBondContact O-N 3.22Å; A126-Q128 PolarHBondContact O-N 2.95Å
129C94.7Very high96.4Very high18 Ų1835.5 Ų35.512%0.12218%0.184CC..  trans-89.3135.2175.9-63.50000110.3E3 R64 L125 A126 D127 G131 L132E3-C129 HydrophobicContact CB-CB 4.03Å; E3-C129 WeakPolarHBondContact OE1-CA 3.43Å; R64-C129 PolarHBondContact NH1-SG 3.01Å; R64-C129 VanDerWaalsContact NH1-SG 3.44Å; L125-C129 PolarHBondContact O-N 2.82Å; L125-C129 PolarHBondContact O-SG 2.79Å; A126-C129 WeakPolarHBondContact O-CB 3.38Å; A126-C129 PolarHBondContact O-N 3.32Å; D127-C129 VanDerWaalsContact C-N 3.33Å; C129-G131 VanDerWaalsContact C-N 3.31Å; C129-L132 HydrophobicContact CB-CB 4Å
130T92.4Very high96.3Very high112 Ų11235.4 Ų35.469%0.68719%0.185SC*.SBendtrans-73.2-26.5170.967.10000112.6M1 E3M1-T130 WeakPolarHBondContact CB-OG1 2.96Å; E3-T130 VanDerWaalsContact CD-N 3.31Å; E3-T130 PolarHBondContact OE1-N 3.01Å; E3-T130 VanDerWaalsContact OE1-N 3.08Å; E3-T130 WeakPolarHBondContact OE2-CA 3.4Å; E3-T130 PolarHBondContact OE2-N 3.34Å; E3-T130 PolarHBondContact OE2-OG1 2.92Å
131G91.2Very high96.2Very high28 Ų2833 Ų3329%0.28917%0.172SC..SBendtrans-16378.8-179.200000111E3 C129 Q133E3-G131 PolarHBondContact N-O 3.47Å; E3-G131 VanDerWaalsContact N-O 3.17Å; E3-G131 PolarHBondContact OE2-N 2.86Å; C129-G131 VanDerWaalsContact C-N 3.31Å; G131-Q133 PolarHBondContact O-N 3.17Å
132L94.2Very high96.1Very high14 Ų1431.2 Ų31.27%0.07317%0.166CC..EExtended strand (participates in β ladder)trans-61.3120.9173.8179.565.1000110.2E3 I5 A126 C129 G134 F135 Y161 K164E3-L132 CarbonylContact O-C 3.46Å; E3-L132 WeakPolarHBondContact O-CA 3.44Å; I5-L132 HydrophobicContact CB-CD1 4.46Å; I5-L132 HydrophobicContact CD1-CD1 3.78Å; I5-L132 HydrophobicContact CD1-CD2 4.25Å; I5-L132 HydrophobicContact CG1-CD1 3.83Å; A126-L132 HydrophobicContact CB-CD2 3.84Å; C129-L132 HydrophobicContact CB-CB 4Å; L132-G134 WeakPolarHBondContact CD1-O 3.26Å; L132-F135 HydrophobicContact CD2-CE1 4.2Å; L132-F135 HydrophobicContact CD2-CE2 4.41Å; L132-F135 HydrophobicContact CD2-CZ 3.8Å; L132-Y161 HydrophobicContact CD2-CD1 4.4Å; L132-Y161 HydrophobicContact CD2-CE1 4.48Å; L132-K164 HydrophobicContact CD2-CG 4.45Å; L132-K164 WeakPolarHBondContact O-CD 3.45Å; L132-K164 WeakPolarHBondContact O-CE 3.45Å; L132-K164 PolarHBondContact O-NZ 3.27Å
133Q92.3Very high95.9Very high46 Ų4631.9 Ų31.922%0.21517%0.172CC..EExtended strand (participates in β ladder)trans-82.7-45173.2-64.1-155.8-32.300111.6R2 E3 G131 S165 L252R2-Q133 HydrophobicContact CB-CG 4.11Å; R2-Q133 VanDerWaalsContact CB-NE2 3.34Å; R2-Q133 VanDerWaalsContact CD-NE2 3.3Å; E3-Q133 PolarHBondContact O-N 3.37Å; G131-Q133 PolarHBondContact O-N 3.17Å; Q133-S165 PolarHBondContact O-N 2.87Å; Q133-L252 HydrophobicContact CB-CD1 4.36Å
134G94.8Very high95.8Very high0 Ų027 Ų270%016%0.155CC..EExtended strand (participates in β ladder)trans176.2-170.8-171.200000114.3I5 L132 S165I5-G134 PolarHBondContact N-O 3.41Å; I5-G134 VanDerWaalsContact N-O 3.15Å; L132-G134 WeakPolarHBondContact CD1-O 3.26Å; G134-S165 CarbonylContact C-O 3.59Å; G134-S165 WeakPolarHBondContact CA-O 3.34Å
135F97.1Very high95.7Very high0 Ų024 Ų240%014%0.143CC..EExtended strand (participates in β ladder)trans-116.7135.8-178.8-55.3-79.9000109.8I5 I7 I122 L132 L137 L157 Y161 K164 S165 K166 L167I5-F135 HydrophobicContact CB-CD1 3.89Å; I5-F135 HydrophobicContact CB-CE1 4.14Å; I5-F135 HydrophobicContact CD1-CE1 3.99Å; I5-F135 HydrophobicContact CG2-CD1 4.21Å; I5-F135 HydrophobicContact CG2-CE1 4.47Å; I5-F135 CarbonylContact O-C 3.56Å; I5-F135 VanDerWaalsContact O-CA 3.28Å; I5-F135 WeakPolarHBondContact O-CA 3.45Å; I7-F135 HydrophobicContact CD1-CB 4.23Å; I7-F135 HydrophobicContact CD1-CD1 3.82Å; I7-F135 HydrophobicContact CD1-CG 4.27Å; I7-F135 HydrophobicContact CG1-CD1 4.48Å; I122-F135 HydrophobicContact CG2-CD1 4.41Å; I122-F135 HydrophobicContact CG2-CE1 3.52Å; I122-F135 HydrophobicContact CG2-CZ 4.07Å; L132-F135 HydrophobicContact CD2-CE1 4.2Å; L132-F135 HydrophobicContact CD2-CE2 4.41Å; L132-F135 HydrophobicContact CD2-CZ 3.8Å; F135-L137 HydrophobicContact CB-CD1 3.86Å; F135-L157 HydrophobicContact CE1-CD2 4.37Å; F135-L157 HydrophobicContact CE2-CD2 4.3Å; F135-L157 HydrophobicContact CG-CD1 4.48Å; F135-L157 HydrophobicContact CZ-CD2 4.12Å; F135-Y161 HydrophobicContact CE2-CD1 4.31Å; F135-Y161 AromaticContact CE2-CD2 4Å; F135-Y161 HydrophobicContact CE2-CD2 4Å; F135-Y161 AromaticContact CE2-CG 3.73Å; F135-Y161 HydrophobicContact CE2-CG 3.73Å; F135-Y161 HydrophobicContact CZ-CD1 4Å; F135-Y161 AromaticContact CZ-CD2 3.74Å; F135-Y161 HydrophobicContact CZ-CD2 3.74Å; F135-Y161 HydrophobicContact CZ-CE1 4.35Å; F135-Y161 HydrophobicContact CZ-CE2 4.12Å; F135-Y161 AromaticContact CZ-CG 3.69Å; F135-Y161 HydrophobicContact CZ-CG 3.69Å; F135-K164 HydrophobicContact CD2-CB 4.42Å; F135-K164 HydrophobicContact CE2-CB 4.02Å; F135-S165 PolarHBondContact N-O 2.64Å; F135-K166 HydrophobicContact CB-CG 4.47Å; F135-K166 HydrophobicContact CD2-CG 4.15Å; F135-L167 PolarHBondContact O-N 3.3Å
136L97.4Very high95.7Very high0 Ų024 Ų240%014%0.143CC..EExtended strand (participates in β ladder)trans-105.5110.5168.1-55.2-173.7000107.7I5 S6 I7 F52 F138 L167 F169 T239 L252I5-L136 PolarHBondContact O-N 3.49Å; S6-L136 CarbonylContact C-O 3.46Å; S6-L136 WeakPolarHBondContact CA-O 3.3Å; I7-L136 PolarHBondContact N-O 3.34Å; F52-L136 HydrophobicContact CE1-CD1 3.64Å; F52-L136 HydrophobicContact CZ-CD1 3.95Å; L136-F138 HydrophobicContact CB-CE2 3.7Å; L136-F138 HydrophobicContact CB-CZ 4.25Å; L136-F138 WeakPolarHBondContact O-CD2 3.44Å; L136-L167 CarbonylContact C-O 3.6Å; L136-L167 WeakPolarHBondContact CA-O 3.26Å; L136-L167 HydrophobicContact CD2-CB 3.95Å; L136-L167 HydrophobicContact CD2-CD1 3.97Å; L136-L167 HydrophobicContact CD2-CG 4.36Å; L136-F169 HydrophobicContact CB-CE2 4.15Å; L136-F169 HydrophobicContact CD1-CE2 4.24Å; L136-F169 HydrophobicContact CD2-CE2 4.25Å; L136-F169 HydrophobicContact CG-CE2 4.44Å; L136-T239 HydrophobicContact CD1-CG2 3.76Å; L136-L252 HydrophobicContact CD2-CD1 4.18Å; L136-L252 HydrophobicContact CD2-CD2 4.45Å
137L98.4Very high95.8Very high0 Ų023.3 Ų23.30%014%0.138CC..EExtended strand (participates in β ladder)trans-98.1132.3-178.6-68.197.2000110.2I7 F135 T150 M154 L157 K166 L167 E168 F169I7-L137 HydrophobicContact CB-CG 4.4Å; I7-L137 HydrophobicContact CD1-CG 4.45Å; I7-L137 CarbonylContact O-C 3.09Å; I7-L137 WeakPolarHBondContact O-CA 3.38Å; F135-L137 HydrophobicContact CB-CD1 3.86Å; L137-T150 HydrophobicContact CD2-CG2 4Å; L137-M154 HydrophobicContact CD1-SD 3.64Å; L137-M154 HydrophobicContact CD2-CG 3.82Å; L137-M154 HydrophobicContact CD2-SD 3.37Å; L137-M154 WeakPolarHBondContact CD2-SD 3.36Å; L137-M154 HydrophobicContact CG-SD 4.13Å; L137-L157 HydrophobicContact CD2-CD1 4.43Å; L137-K166 HydrophobicContact CD1-CB 4.25Å; L137-K166 HydrophobicContact CD1-CG 4.35Å; L137-L167 PolarHBondContact N-O 3.15Å; L137-E168 HydrophobicContact CB-CG 3.95Å; L137-E168 CarbonylContact O-C 3.24Å; L137-E168 WeakPolarHBondContact O-CA 3.38Å; L137-F169 PolarHBondContact O-N 3Å
138F98.7Very high95.9Very high1 Ų118.1 Ų18.10%0.00411%0.11CC..EExtended strand (participates in β ladder)trans-120.9119.4179.2-60.8-101.8000108.3I7 H8 V9 G13 I16 L136 F169 V235I7-F138 PolarHBondContact O-N 2.72Å; H8-F138 AromaticContact CE1-CD2 3.15Å; H8-F138 WeakPolarHBondContact CE1-CD2 3.48Å; H8-F138 AromaticContact CE1-CE2 3.43Å; H8-F138 VanDerWaalsContact CE1-CE2 3.43Å; H8-F138 WeakPolarHBondContact CE1-CE2 3.34Å; H8-F138 AromaticContact CE1-CG 3.52Å; H8-F138 AromaticContact CE1-CZ 4Å; H8-F138 WeakPolarHBondContact ND1-CB 3.39Å; H8-F138 AromaticContact ND1-CD2 3.37Å; H8-F138 WeakPolarHBondContact ND1-CD2 3.33Å; H8-F138 AromaticContact ND1-CG 3.4Å; H8-F138 WeakPolarHBondContact ND1-CG 3.43Å; H8-F138 AromaticContact NE2-CD2 3.94Å; V9-F138 PolarHBondContact N-O 3.33Å; G13-F138 VanDerWaalsContact CA-O 3.23Å; G13-F138 WeakPolarHBondContact CA-O 3.37Å; I16-F138 HydrophobicContact CG2-CD1 3.72Å; I16-F138 HydrophobicContact CG2-CE1 4.27Å; L136-F138 HydrophobicContact CB-CE2 3.7Å; L136-F138 HydrophobicContact CB-CZ 4.25Å; L136-F138 WeakPolarHBondContact O-CD2 3.44Å; F138-F169 HydrophobicContact CD1-CB 3.57Å; F138-F169 AromaticContact CD1-CD2 3.99Å; F138-F169 HydrophobicContact CD1-CD2 3.99Å; F138-F169 AromaticContact CD1-CG 3.93Å; F138-F169 HydrophobicContact CD1-CG 3.93Å; F138-F169 HydrophobicContact CE1-CB 3.82Å; F138-F169 HydrophobicContact CE1-CD1 4.33Å; F138-F169 AromaticContact CE1-CD2 3.5Å; F138-F169 HydrophobicContact CE1-CD2 3.5Å; F138-F169 VanDerWaalsContact CE1-CD2 3.5Å; F138-F169 HydrophobicContact CE1-CE2 4.1Å; F138-F169 AromaticContact CE1-CG 3.63Å; F138-F169 HydrophobicContact CE1-CG 3.63Å; F138-F169 HydrophobicContact CE2-CD2 4.11Å; F138-F169 HydrophobicContact CG-CB 4.24Å; F138-F169 HydrophobicContact CG-CD2 4.48Å; F138-F169 AromaticContact CZ-CD2 3.56Å; F138-F169 HydrophobicContact CZ-CD2 3.56Å; F138-F169 AromaticContact CZ-CE2 3.84Å; F138-F169 HydrophobicContact CZ-CE2 3.84Å; F138-F169 HydrophobicContact CZ-CG 4.19Å; F138-V235 HydrophobicContact CE1-CB 4.45Å; F138-V235 HydrophobicContact CE1-CG1 3.83Å; F138-V235 HydrophobicContact CE1-CG2 3.72Å; F138-V235 HydrophobicContact CZ-CG1 3.81Å
139H98.5Very high96.1Very high1 Ų112.8 Ų12.81%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-162.7-178.3-174.172.8128.2000111.8V9 F141 G146 T150 E168 F169 I171V9-H139 HydrophobicContact CB-CB 4.37Å; H139-F141 AromaticContact CE1-CD2 3.6Å; H139-F141 AromaticContact CE1-CE2 3.41Å; H139-F141 VanDerWaalsContact CE1-CE2 3.41Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.45Å; H139-F141 AromaticContact NE2-CE2 3.58Å; H139-G146 WeakPolarHBondContact CB-O 3.44Å; H139-G146 PolarHBondContact ND1-O 3Å; H139-T150 HydrophobicContact CB-CG2 4.32Å; H139-E168 IonicContact CE1-OE2 3.61Å; H139-E168 PolarHBondContact CE1-OE2 2.91Å; H139-E168 IonicContact NE2-OE2 3.41Å; H139-E168 PolarHBondContact NE2-OE2 2.94Å; H139-F169 PolarHBondContact N-O 3.25Å; H139-I171 PolarHBondContact O-N 2.78Å
140S97.3Very high96.3Very high16 Ų1612 Ų1211%0.1128%0.08CC..EExtended strand (participates in β ladder)trans-127136.5172.81770000110G142 G146 S147 I171S140-G142 PolarHBondContact O-N 2.99Å; S140-G142 PolarHBondContact OG-N 3.01Å; S140-G146 CarbonylContact O-C 2.93Å; S140-S147 PolarHBondContact O-N 3.11Å; S140-I171 WeakPolarHBondContact CA-O 3.36Å; S140-I171 PolarHBondContact OG-O 3.16Å
141F97Very high96.5Very high0 Ų06.8 Ų6.80%05%0.048CC..SBendtrans-67.9-22176-83.4-133000112H139 S147 A170 I171 Y172 N186 S187 T190 T191 T194 M203 F267H139-F141 AromaticContact CE1-CD2 3.6Å; H139-F141 AromaticContact CE1-CE2 3.41Å; H139-F141 VanDerWaalsContact CE1-CE2 3.41Å; H139-F141 WeakPolarHBondContact CE1-CE2 3.45Å; H139-F141 AromaticContact NE2-CE2 3.58Å; F141-S147 WeakPolarHBondContact O-CB 3.48Å; F141-A170 HydrophobicContact CD2-CB 3.72Å; F141-A170 HydrophobicContact CE2-CB 3.37Å; F141-A170 HydrophobicContact CZ-CB 4.36Å; F141-I171 PolarHBondContact N-O 3.39Å; F141-Y172 HydrophobicContact CB-CD2 4.15Å; F141-Y172 HydrophobicContact CB-CE2 4.48Å; F141-Y172 AromaticContact CD1-CD2 3.67Å; F141-Y172 HydrophobicContact CD1-CD2 3.67Å; F141-Y172 AromaticContact CD1-CE2 3.54Å; F141-Y172 HydrophobicContact CD1-CE2 3.54Å; F141-Y172 HydrophobicContact CE1-CD2 4.18Å; F141-Y172 HydrophobicContact CE1-CE2 4.01Å; F141-Y172 AromaticContact CG-CD2 3.91Å; F141-Y172 HydrophobicContact CG-CD2 3.91Å; F141-Y172 HydrophobicContact CG-CE2 4.2Å; F141-N186 CarbonylContact O-C 3.55Å; F141-N186 VanDerWaalsContact O-C 3.24Å; F141-N186 WeakPolarHBondContact O-CB 3.47Å; F141-S187 VanDerWaalsContact O-CA 3.23Å; F141-S187 WeakPolarHBondContact O-CA 2.89Å; F141-S187 PolarHBondContact O-N 3.33Å; F141-S187 VanDerWaalsContact O-N 3.15Å; F141-S187 PolarHBondContact O-OG 3.01Å; F141-T190 HydrophobicContact CD1-CG2 4.07Å; F141-T190 HydrophobicContact CD2-CG2 4.02Å; F141-T190 HydrophobicContact CE1-CG2 4.2Å; F141-T190 HydrophobicContact CE2-CG2 4.12Å; F141-T190 HydrophobicContact CG-CG2 3.99Å; F141-T190 HydrophobicContact CZ-CG2 4.22Å; F141-T191 WeakPolarHBondContact CD1-OG1 3.43Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.37Å; F141-T194 HydrophobicContact CZ-CG2 4.12Å; F141-M203 HydrophobicContact CE1-CE 4.32Å; F141-M203 HydrophobicContact CZ-CE 4.22Å; F141-F267 HydrophobicContact CZ-CE1 4.41Å
142G94.5Very high96.9Very high0 Ų05.5 Ų5.50%04%0.035CC..SBendtrans-90.6-22.4-175.200000115.5S140 N186 S187S140-G142 PolarHBondContact O-N 2.99Å; S140-G142 PolarHBondContact OG-N 3.01Å; G142-N186 PolarHBondContact O-ND2 3.3Å; G142-S187 PolarHBondContact N-OG 3.15Å
143G93.7Very high97.1Very high14 Ų144.9 Ų4.914%0.1443%0.031CC..SBendtrans-91.2147.3-172.700000113T145 G146 S147G143-T145 PolarHBondContact O-N 3.33Å; G143-G146 PolarHBondContact O-N 3.49Å; G143-S147 WeakPolarHBondContact O-CB 3.29Å; G143-S147 PolarHBondContact O-N 3.41Å; G143-S147 PolarHBondContact O-OG 3.37Å
144G95.9Very high97.4Very high2 Ų22.9 Ų2.92%0.0212%0.022CC..Hα-helixtrans-58.8-52.6-175.900000114.3S147 G148G144-S147 PolarHBondContact O-OG 3.16Å; G144-G148 PolarHBondContact O-N 2.96Å
145T97.8Very high97.5Very high12 Ų125.5 Ų5.57%0.0743%0.034CC..Iπ-helixtrans-66.7-48.5174.1-50.60000111.4V9 D69 L70 G143 S147 F149 T150V9-T145 HydrophobicContact CG1-CG2 3.89Å; D69-T145 PolarHBondContact OD1-OG1 3.48Å; L70-T145 HydrophobicContact CD1-CG2 4.42Å; L70-T145 HydrophobicContact CG-CG2 3.83Å; G143-T145 PolarHBondContact O-N 3.33Å; T145-S147 PolarHBondContact O-N 3.4Å; T145-F149 HydrophobicContact CG2-CB 4.06Å; T145-F149 HydrophobicContact CG2-CD1 4.46Å; T145-F149 VanDerWaalsContact O-CB 3.27Å; T145-F149 WeakPolarHBondContact O-CB 3.46Å; T145-F149 PolarHBondContact O-N 3.21Å; T145-F149 VanDerWaalsContact O-N 3.15Å; T145-T150 PolarHBondContact O-N 2.78Å
146G97.2Very high97.6Very high4 Ų411 Ų114%0.0416%0.055CC..Iπ-helixtrans-62.4-27.4-176.700000113.9H139 S140 G143 T150H139-G146 WeakPolarHBondContact CB-O 3.44Å; H139-G146 PolarHBondContact ND1-O 3Å; S140-G146 CarbonylContact O-C 2.93Å; G143-G146 PolarHBondContact O-N 3.49Å; G146-T150 WeakPolarHBondContact O-CB 3.22Å; G146-T150 PolarHBondContact O-OG1 2.89Å
147S97.9Very high97.6Very high0 Ų011 Ų110%06%0.055CC..Iπ-helixtrans-92.9-69.5-179.266.40000109.9S140 F141 G143 G144 T145 S151 T190S140-S147 PolarHBondContact O-N 3.11Å; F141-S147 WeakPolarHBondContact O-CB 3.48Å; G143-S147 WeakPolarHBondContact O-CB 3.29Å; G143-S147 PolarHBondContact O-N 3.41Å; G143-S147 PolarHBondContact O-OG 3.37Å; G144-S147 PolarHBondContact O-OG 3.16Å; T145-S147 PolarHBondContact O-N 3.4Å; S147-S151 WeakPolarHBondContact O-CB 3.43Å; S147-S151 PolarHBondContact O-N 3.45Å; S147-S151 PolarHBondContact O-OG 3.07Å; S147-T190 VanDerWaalsContact CA-OG1 3.22Å; S147-T190 WeakPolarHBondContact CA-OG1 3.44Å; S147-T190 WeakPolarHBondContact CB-OG1 3.15Å
148G98.1Very high97.5Very high0 Ų012.4 Ų12.40%06%0.064CC..Iπ-helixtrans-67.5-47.8-172.800000114.5Y103 G106 H107 G144 S151 L152Y103-G148 VanDerWaalsContact CD2-N 3.33Å; Y103-G148 WeakPolarHBondContact O-CA 3.45Å; G106-G148 CarbonylContact O-C 3.34Å; H107-G148 WeakPolarHBondContact CB-O 3.42Å; G144-G148 PolarHBondContact O-N 2.96Å; G148-S151 PolarHBondContact O-N 2.92Å; G148-L152 PolarHBondContact O-N 2.84Å
149F98.6Very high97.5Very high0 Ų017.8 Ų17.80%010%0.097CC..Iπ-helixtrans-70.3-37.2-179.9-179.7-102.4000111.7V9 V68 L70 G106 G111 I114 V115 V118 T145 S151 L152 L153V9-F149 HydrophobicContact CG1-CD1 3.67Å; V9-F149 HydrophobicContact CG1-CE1 4.45Å; V68-F149 HydrophobicContact CB-CE1 4.15Å; V68-F149 HydrophobicContact CG1-CD1 4.21Å; V68-F149 HydrophobicContact CG1-CE1 3.59Å; V68-F149 HydrophobicContact CG1-CZ 4.12Å; V68-F149 HydrophobicContact CG2-CE1 4.46Å; L70-F149 HydrophobicContact CD1-CB 4.5Å; L70-F149 HydrophobicContact CD2-CD2 4.26Å; L70-F149 HydrophobicContact CD2-CG 4.38Å; G106-F149 WeakPolarHBondContact O-CA 3.23Å; G106-F149 WeakPolarHBondContact O-CB 3.49Å; G106-F149 PolarHBondContact O-N 3.32Å; G111-F149 WeakPolarHBondContact O-CE2 3.43Å; I114-F149 HydrophobicContact CG2-CD2 4.17Å; I114-F149 HydrophobicContact CG2-CE2 3.51Å; I114-F149 HydrophobicContact CG2-CZ 3.93Å; V115-F149 HydrophobicContact CB-CE2 3.91Å; V115-F149 HydrophobicContact CB-CZ 4.49Å; V115-F149 HydrophobicContact CG2-CE2 4.28Å; V118-F149 HydrophobicContact CB-CZ 4.17Å; V118-F149 HydrophobicContact CG1-CZ 4.39Å; V118-F149 HydrophobicContact CG2-CE1 4.29Å; V118-F149 HydrophobicContact CG2-CZ 3.76Å; T145-F149 HydrophobicContact CG2-CB 4.06Å; T145-F149 HydrophobicContact CG2-CD1 4.46Å; T145-F149 VanDerWaalsContact O-CB 3.27Å; T145-F149 WeakPolarHBondContact O-CB 3.46Å; T145-F149 PolarHBondContact O-N 3.21Å; T145-F149 VanDerWaalsContact O-N 3.15Å; F149-S151 VanDerWaalsContact C-N 3.32Å; F149-S151 PolarHBondContact O-N 2.82Å; F149-L152 HydrophobicContact CD2-CD2 4.4Å; F149-L152 PolarHBondContact O-N 2.68Å; F149-L153 HydrophobicContact CE1-CD2 4.26Å; F149-L153 VanDerWaalsContact O-CB 3.28Å; F149-L153 WeakPolarHBondContact O-CB 3.27Å; F149-L153 PolarHBondContact O-N 2.85Å
150T98.6Very high97.4Very high2 Ų222.5 Ų22.51%0.01212%0.122CC..Hα-helixtrans-61.6-42.4173.2-53.90000111.4V9 L137 H139 T145 G146 L153 M154V9-T150 WeakPolarHBondContact CB-OG1 3.29Å; V9-T150 VanDerWaalsContact CG1-OG1 3.26Å; V9-T150 WeakPolarHBondContact CG1-OG1 3.45Å; L137-T150 HydrophobicContact CD2-CG2 4Å; H139-T150 HydrophobicContact CB-CG2 4.32Å; T145-T150 PolarHBondContact O-N 2.78Å; G146-T150 WeakPolarHBondContact O-CB 3.22Å; G146-T150 PolarHBondContact O-OG1 2.89Å; T150-L153 PolarHBondContact O-N 3.41Å; T150-M154 HydrophobicContact CG2-CG 4.13Å; T150-M154 WeakPolarHBondContact O-CB 3.24Å; T150-M154 VanDerWaalsContact O-CG 3.24Å; T150-M154 WeakPolarHBondContact O-CG 3.41Å; T150-M154 PolarHBondContact O-N 3.22Å
151S98.4Very high97.4Very high2 Ų223.6 Ų23.61%0.01412%0.124CC..Hα-helixtrans-61.7-49178.9-610000111.2Y103 S147 G148 F149 L153 M154 E155Y103-S151 WeakPolarHBondContact CE2-OG 3.19Å; Y103-S151 VanDerWaalsContact OH-CB 3.25Å; Y103-S151 WeakPolarHBondContact OH-CB 3.37Å; S147-S151 WeakPolarHBondContact O-CB 3.43Å; S147-S151 PolarHBondContact O-N 3.45Å; S147-S151 PolarHBondContact O-OG 3.07Å; G148-S151 PolarHBondContact O-N 2.92Å; F149-S151 VanDerWaalsContact C-N 3.32Å; F149-S151 PolarHBondContact O-N 2.82Å; S151-L153 VanDerWaalsContact C-N 3.31Å; S151-L153 PolarHBondContact O-N 3.46Å; S151-M154 PolarHBondContact O-N 3.45Å; S151-E155 WeakPolarHBondContact O-CG 3.42Å; S151-E155 PolarHBondContact O-N 3.13Å
152L98.5Very high97.2Very high2 Ų226.3 Ų26.31%0.0115%0.153CC..Hα-helixtrans-56.5-44.5172.4175.368.2000112H107 K112 V115 G148 F149 R156H107-L152 PolarHBondContact CD2-N 2.77Å; H107-L152 WeakPolarHBondContact O-CD2 3.21Å; K112-L152 HydrophobicContact CG-CD2 4.08Å; V115-L152 HydrophobicContact CB-CD2 3.85Å; V115-L152 HydrophobicContact CB-CG 4.45Å; V115-L152 HydrophobicContact CG1-CD2 4.08Å; V115-L152 HydrophobicContact CG2-CD2 4.06Å; V115-L152 HydrophobicContact CG2-CG 4.12Å; G148-L152 PolarHBondContact O-N 2.84Å; F149-L152 HydrophobicContact CD2-CD2 4.4Å; F149-L152 PolarHBondContact O-N 2.68Å; L152-R156 VanDerWaalsContact O-CG 3.31Å; L152-R156 WeakPolarHBondContact O-CG 3.45Å; L152-R156 PolarHBondContact O-N 3.08Å
153L98.6Very high97.1Very high0 Ų036.2 Ų36.20%020%0.196CC..Hα-helixtrans-65.7-40.2180-179.960.8000111.5I7 V9 V115 V118 L119 I122 F149 T150 S151 R156 L157I7-L153 HydrophobicContact CD1-CD2 4.48Å; I7-L153 HydrophobicContact CG2-CD2 3.8Å; V9-L153 HydrophobicContact CG2-CD2 4.46Å; V115-L153 HydrophobicContact CG2-CD1 4.45Å; V118-L153 HydrophobicContact CG1-CD1 4.05Å; V118-L153 HydrophobicContact CG1-CD2 4.14Å; L119-L153 HydrophobicContact CD2-CD1 3.83Å; L119-L153 HydrophobicContact CG-CD1 4.28Å; I122-L153 HydrophobicContact CD1-CD1 4.02Å; I122-L153 HydrophobicContact CD1-CD2 4.39Å; F149-L153 HydrophobicContact CE1-CD2 4.26Å; F149-L153 VanDerWaalsContact O-CB 3.28Å; F149-L153 WeakPolarHBondContact O-CB 3.27Å; F149-L153 PolarHBondContact O-N 2.85Å; T150-L153 PolarHBondContact O-N 3.41Å; S151-L153 VanDerWaalsContact C-N 3.31Å; S151-L153 PolarHBondContact O-N 3.46Å; L153-R156 PolarHBondContact O-N 3.23Å; L153-L157 HydrophobicContact CD1-CD1 4.41Å; L153-L157 HydrophobicContact CD1-CG 4.22Å; L153-L157 HydrophobicContact CG-CD1 4.01Å; L153-L157 HydrophobicContact CG-CG 4.26Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 2.86Å
154M98.1Very high97.2Very high4 Ų439 Ų392%0.0220%0.204CC..Hα-helixtrans-63.3-43.8178.9-79.2-69.8-75.400112L137 T150 S151 R156 L157 S158 K166 E168 H197L137-M154 HydrophobicContact CD1-SD 3.64Å; L137-M154 HydrophobicContact CD2-CG 3.82Å; L137-M154 HydrophobicContact CD2-SD 3.37Å; L137-M154 WeakPolarHBondContact CD2-SD 3.36Å; L137-M154 HydrophobicContact CG-SD 4.13Å; T150-M154 HydrophobicContact CG2-CG 4.13Å; T150-M154 WeakPolarHBondContact O-CB 3.24Å; T150-M154 VanDerWaalsContact O-CG 3.24Å; T150-M154 WeakPolarHBondContact O-CG 3.41Å; T150-M154 PolarHBondContact O-N 3.22Å; S151-M154 PolarHBondContact O-N 3.45Å; M154-R156 VanDerWaalsContact C-N 3.28Å; M154-R156 PolarHBondContact O-N 3.3Å; M154-L157 PolarHBondContact O-N 3.13Å; M154-S158 WeakPolarHBondContact O-CB 3.25Å; M154-S158 PolarHBondContact O-N 3.03Å; M154-S158 PolarHBondContact O-OG 3.19Å; M154-K166 HydrophobicContact CE-CB 3.9Å; M154-K166 HydrophobicContact CE-CD 3.87Å; M154-K166 HydrophobicContact CE-CG 4.32Å; M154-K166 HydrophobicContact SD-CB 4.29Å; M154-K166 HydrophobicContact SD-CD 3.82Å; M154-K166 HydrophobicContact SD-CG 4.21Å; M154-E168 WeakPolarHBondContact CE-OE1 3.25Å; M154-H197 HydrophobicContact CB-CB 4.12Å; M154-H197 VanDerWaalsContact CE-C 3.48Å; M154-H197 HydrophobicContact CE-CB 4.02Å; M154-H197 WeakPolarHBondContact CE-O 3.3Å
155E98Very high97.1Very high56 Ų5639.3 Ų39.326%0.26221%0.206SC..Hα-helixtrans-53.5-47.5171.7-70.8166.1-152.500111.2H107 S151 S158 V159 T193 H197H107-E155 IonicContact CD2-OE1 2.92Å; H107-E155 IonicContact CE1-OE1 3.72Å; H107-E155 IonicContact CE1-OE2 3.41Å; H107-E155 IonicContact NE2-OE1 3.66Å; H107-E155 PolarHBondContact NE2-OE1 3.39Å; H107-E155 IonicContact NE2-OE2 3.81Å; S151-E155 WeakPolarHBondContact O-CG 3.42Å; S151-E155 PolarHBondContact O-N 3.13Å; E155-S158 PolarHBondContact O-N 3.39Å; E155-V159 WeakPolarHBondContact O-CG2 3.21Å; E155-V159 PolarHBondContact O-N 2.94Å; E155-T193 HydrophobicContact CG-CG2 4.13Å; E155-H197 WeakPolarHBondContact CG-NE2 3.45Å
156R98Very high97.1Very high116 Ų11639 Ų3944%0.43820%0.204SC..Hα-helixtrans-68.7-40.3-179.7-60.9-65177.4-177.9-1.9112.6V115 L119 L152 L153 M154 S158 V159 D160V115-R156 HydrophobicContact CG2-CG 4.21Å; L119-R156 HydrophobicContact CD1-CB 3.7Å; L119-R156 HydrophobicContact CD1-CG 3.96Å; L119-R156 HydrophobicContact CD2-CB 3.86Å; L119-R156 HydrophobicContact CG-CB 4.35Å; L152-R156 VanDerWaalsContact O-CG 3.31Å; L152-R156 WeakPolarHBondContact O-CG 3.45Å; L152-R156 PolarHBondContact O-N 3.08Å; L153-R156 PolarHBondContact O-N 3.23Å; M154-R156 VanDerWaalsContact C-N 3.28Å; M154-R156 PolarHBondContact O-N 3.3Å; R156-S158 VanDerWaalsContact C-N 3.29Å; R156-S158 PolarHBondContact O-N 3.07Å; R156-V159 PolarHBondContact O-N 3.45Å; R156-D160 PolarHBondContact O-N 3.34Å
157L98.1Very high97Very high0 Ų038.9 Ų38.90%020%0.202CC..Hα-helixtrans-65.9-32.3175.4-71.2176.4000112.3I7 L119 I122 F135 L137 L153 M154 Y161 K166I7-L157 HydrophobicContact CD1-CD1 3.7Å; L119-L157 HydrophobicContact CD2-CD2 4.23Å; I122-L157 HydrophobicContact CD1-CD2 4.16Å; I122-L157 HydrophobicContact CG2-CD2 4.07Å; F135-L157 HydrophobicContact CE1-CD2 4.37Å; F135-L157 HydrophobicContact CE2-CD2 4.3Å; F135-L157 HydrophobicContact CG-CD1 4.48Å; F135-L157 HydrophobicContact CZ-CD2 4.12Å; L137-L157 HydrophobicContact CD2-CD1 4.43Å; L153-L157 HydrophobicContact CD1-CD1 4.41Å; L153-L157 HydrophobicContact CD1-CG 4.22Å; L153-L157 HydrophobicContact CG-CD1 4.01Å; L153-L157 HydrophobicContact CG-CG 4.26Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 2.86Å; M154-L157 PolarHBondContact O-N 3.13Å; L157-Y161 HydrophobicContact CD2-CD2 3.79Å; L157-Y161 HydrophobicContact CD2-CE2 4.06Å; L157-Y161 CarbonylContact O-C 3.52Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.3Å; L157-Y161 WeakPolarHBondContact O-CB 3.17Å; L157-Y161 PolarHBondContact O-N 3.04Å; L157-K166 HydrophobicContact CB-CD 4.14Å
158S97.2Very high97Very high28 Ų2838.9 Ų38.920%0.19620%0.202CC..Hα-helixtrans-67.4-36.4173.4-71.20000112M154 E155 R156 G162 K166 H197M154-S158 WeakPolarHBondContact O-CB 3.25Å; M154-S158 PolarHBondContact O-N 3.03Å; M154-S158 PolarHBondContact O-OG 3.19Å; E155-S158 PolarHBondContact O-N 3.39Å; R156-S158 VanDerWaalsContact C-N 3.29Å; R156-S158 PolarHBondContact O-N 3.07Å; S158-G162 WeakPolarHBondContact O-CA 3.32Å; S158-G162 PolarHBondContact O-N 3.05Å; S158-G162 VanDerWaalsContact O-N 3.13Å; S158-K166 WeakPolarHBondContact OG-CE 3.49Å; S158-H197 WeakPolarHBondContact OG-CB 3.48Å; S158-H197 PolarHBondContact OG-ND1 2.83Å
159V97.5Very high97Very high114 Ų11439.3 Ų39.369%0.69120%0.204SC*.Hα-helixtrans-68.2-51.7174.4174.90000111.4E155 R156E155-V159 WeakPolarHBondContact O-CG2 3.21Å; E155-V159 PolarHBondContact O-N 2.94Å; R156-V159 PolarHBondContact O-N 3.45Å
160D97.4Very high97Very high100 Ų10039.3 Ų39.354%0.53520%0.204SC..Hα-helixtrans-80.1-30.6-172.5-69.8-13.1000112.9R156R156-D160 PolarHBondContact O-N 3.34Å
161Y96.9Very high96.9Very high39 Ų3939.4 Ų39.415%0.15320%0.204CC..  trans-132.440.3-172.9-54.9-84.9000112.6I122 R123 A126 L132 F135 L157 K163 K164 K166I122-Y161 HydrophobicContact CG2-CE2 4.28Å; R123-Y161 VanDerWaalsContact CA-OH 3.27Å; R123-Y161 WeakPolarHBondContact CA-OH 3.39Å; A126-Y161 HydrophobicContact CB-CE1 3.89Å; L132-Y161 HydrophobicContact CD2-CD1 4.4Å; L132-Y161 HydrophobicContact CD2-CE1 4.48Å; F135-Y161 HydrophobicContact CE2-CD1 4.31Å; F135-Y161 AromaticContact CE2-CD2 4Å; F135-Y161 HydrophobicContact CE2-CD2 4Å; F135-Y161 AromaticContact CE2-CG 3.73Å; F135-Y161 HydrophobicContact CE2-CG 3.73Å; F135-Y161 HydrophobicContact CZ-CD1 4Å; F135-Y161 AromaticContact CZ-CD2 3.74Å; F135-Y161 HydrophobicContact CZ-CD2 3.74Å; F135-Y161 HydrophobicContact CZ-CE1 4.35Å; F135-Y161 HydrophobicContact CZ-CE2 4.12Å; F135-Y161 AromaticContact CZ-CG 3.69Å; F135-Y161 HydrophobicContact CZ-CG 3.69Å; L157-Y161 HydrophobicContact CD2-CD2 3.79Å; L157-Y161 HydrophobicContact CD2-CE2 4.06Å; L157-Y161 CarbonylContact O-C 3.52Å; L157-Y161 VanDerWaalsContact O-CA 3.26Å; L157-Y161 WeakPolarHBondContact O-CA 3.3Å; L157-Y161 WeakPolarHBondContact O-CB 3.17Å; L157-Y161 PolarHBondContact O-N 3.04Å; Y161-K163 PolarHBondContact O-N 3.5Å; Y161-K164 HydrophobicContact CD1-CG 4.3Å; Y161-K164 WeakPolarHBondContact O-CB 3.45Å; Y161-K164 PolarHBondContact O-N 3.45Å; Y161-K166 PolarHBondContact O-NZ 3.3Å
162G93.1Very high96.8Very high58 Ų5839.7 Ų39.760%0.59821%0.205SC*.THydrogen-bonded Turntrans-56.9-17.6-175.300000116.6S158S158-G162 WeakPolarHBondContact O-CA 3.32Å; S158-G162 PolarHBondContact O-N 3.05Å; S158-G162 VanDerWaalsContact O-N 3.13Å
163K92.6Very high96.6Very high208 Ų20840.2 Ų40.290%0.90421%0.208SC*.THydrogen-bonded Turntrans-960.1175.3-61.7-175.2-178.9-179.40114.3Y161Y161-K163 PolarHBondContact O-N 3.5Å
164K94.4Very high96.1Very high71 Ų7140.4 Ų40.431%0.30921%0.21SC..SBendtrans-101.8134.3-176.8-59-57.4-176.7-177.30109.5L132 F135 Y161 K166L132-K164 HydrophobicContact CD2-CG 4.45Å; L132-K164 WeakPolarHBondContact O-CD 3.45Å; L132-K164 WeakPolarHBondContact O-CE 3.45Å; L132-K164 PolarHBondContact O-NZ 3.27Å; F135-K164 HydrophobicContact CD2-CB 4.42Å; F135-K164 HydrophobicContact CE2-CB 4.02Å; Y161-K164 HydrophobicContact CD1-CG 4.3Å; Y161-K164 WeakPolarHBondContact O-CB 3.45Å; Y161-K164 PolarHBondContact O-N 3.45Å; K164-K166 PolarHBondContact O-NZ 2.91Å
165S94.8Very high95.5Very high10 Ų1042.1 Ų42.17%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-62.2139.9-178.3-58.10000111.1Q133 G134 F135 D199Q133-S165 PolarHBondContact O-N 2.87Å; G134-S165 CarbonylContact C-O 3.59Å; G134-S165 WeakPolarHBondContact CA-O 3.34Å; F135-S165 PolarHBondContact N-O 2.64Å; S165-D199 WeakPolarHBondContact CA-OD2 3.23Å
166K96.4Very high94.9Very high6 Ų647.5 Ų47.53%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-122.4106.6174.2-76.9168.3-88.1-61.70108F135 L137 M154 L157 S158 Y161 K164 H197 D199F135-K166 HydrophobicContact CB-CG 4.47Å; F135-K166 HydrophobicContact CD2-CG 4.15Å; L137-K166 HydrophobicContact CD1-CB 4.25Å; L137-K166 HydrophobicContact CD1-CG 4.35Å; M154-K166 HydrophobicContact CE-CB 3.9Å; M154-K166 HydrophobicContact CE-CD 3.87Å; M154-K166 HydrophobicContact CE-CG 4.32Å; M154-K166 HydrophobicContact SD-CB 4.29Å; M154-K166 HydrophobicContact SD-CD 3.82Å; M154-K166 HydrophobicContact SD-CG 4.21Å; L157-K166 HydrophobicContact CB-CD 4.14Å; S158-K166 WeakPolarHBondContact OG-CE 3.49Å; Y161-K166 PolarHBondContact O-NZ 3.3Å; K164-K166 PolarHBondContact O-NZ 2.91Å; K166-H197 WeakPolarHBondContact CD-O 3.48Å; K166-H197 WeakPolarHBondContact CE-O 3.4Å; K166-D199 PolarHBondContact N-OD2 3.08Å; K166-D199 PolarHBondContact O-N 2.8Å
167L96.2Very high94.1Very high0 Ų044.7 Ų44.70%024%0.24CC..EExtended strand (participates in β ladder)trans-110.4129.6178.6-54.8178.9000109.3F135 L136 L137 D199 C200 F202 L252F135-L167 PolarHBondContact O-N 3.3Å; L136-L167 CarbonylContact C-O 3.6Å; L136-L167 WeakPolarHBondContact CA-O 3.26Å; L136-L167 HydrophobicContact CD2-CB 3.95Å; L136-L167 HydrophobicContact CD2-CD1 3.97Å; L136-L167 HydrophobicContact CD2-CG 4.36Å; L137-L167 PolarHBondContact N-O 3.15Å; L167-D199 HydrophobicContact CD2-CB 4.42Å; L167-C200 CarbonylContact C-O 3.44Å; L167-C200 WeakPolarHBondContact CA-O 3.31Å; L167-C200 HydrophobicContact CD2-CB 3.64Å; L167-F202 HydrophobicContact CB-CE2 4.24Å; L167-F202 HydrophobicContact CD1-CE2 4.31Å; L167-L252 HydrophobicContact CD1-CB 4.02Å; L167-L252 HydrophobicContact CD1-CD1 4.18Å; L167-L252 HydrophobicContact CD1-CD2 3.56Å; L167-L252 HydrophobicContact CD1-CG 4.11Å
168E97.9Very high93.4Very high0 Ų047.6 Ų47.60%026%0.26CS..EExtended strand (participates in β ladder)trans-102.3141.1-179.6-78.8162.4-11100111.4L137 H139 M154 T194 S198 C200 A201 F202L137-E168 HydrophobicContact CB-CG 3.95Å; L137-E168 CarbonylContact O-C 3.24Å; L137-E168 WeakPolarHBondContact O-CA 3.38Å; H139-E168 IonicContact CE1-OE2 3.61Å; H139-E168 PolarHBondContact CE1-OE2 2.91Å; H139-E168 IonicContact NE2-OE2 3.41Å; H139-E168 PolarHBondContact NE2-OE2 2.94Å; M154-E168 WeakPolarHBondContact CE-OE1 3.25Å; E168-T194 PolarHBondContact OE2-OG1 3.03Å; E168-T194 VanDerWaalsContact OE2-OG1 3.12Å; E168-S198 WeakPolarHBondContact OE1-CB 3.33Å; E168-S198 PolarHBondContact OE1-OG 3.46Å; E168-C200 PolarHBondContact N-O 2.76Å; E168-A201 HydrophobicContact CB-CB 3.94Å; E168-F202 WeakPolarHBondContact O-CB 3.46Å; E168-F202 WeakPolarHBondContact O-CD2 3.2Å; E168-F202 PolarHBondContact O-N 3.4Å
169F98Very high92.6Very high9 Ų949.8 Ų49.84%0.03927%0.272CS..EExtended strand (participates in β ladder)trans-113.597.2165.2-67.9-89.5000106.6L136 L137 F138 H139 F202 V235 I238L136-F169 HydrophobicContact CB-CE2 4.15Å; L136-F169 HydrophobicContact CD1-CE2 4.24Å; L136-F169 HydrophobicContact CD2-CE2 4.25Å; L136-F169 HydrophobicContact CG-CE2 4.44Å; L137-F169 PolarHBondContact O-N 3Å; F138-F169 HydrophobicContact CD1-CB 3.57Å; F138-F169 AromaticContact CD1-CD2 3.99Å; F138-F169 HydrophobicContact CD1-CD2 3.99Å; F138-F169 AromaticContact CD1-CG 3.93Å; F138-F169 HydrophobicContact CD1-CG 3.93Å; F138-F169 HydrophobicContact CE1-CB 3.82Å; F138-F169 HydrophobicContact CE1-CD1 4.33Å; F138-F169 AromaticContact CE1-CD2 3.5Å; F138-F169 HydrophobicContact CE1-CD2 3.5Å; F138-F169 VanDerWaalsContact CE1-CD2 3.5Å; F138-F169 HydrophobicContact CE1-CE2 4.1Å; F138-F169 AromaticContact CE1-CG 3.63Å; F138-F169 HydrophobicContact CE1-CG 3.63Å; F138-F169 HydrophobicContact CE2-CD2 4.11Å; F138-F169 HydrophobicContact CG-CB 4.24Å; F138-F169 HydrophobicContact CG-CD2 4.48Å; F138-F169 AromaticContact CZ-CD2 3.56Å; F138-F169 HydrophobicContact CZ-CD2 3.56Å; F138-F169 AromaticContact CZ-CE2 3.84Å; F138-F169 HydrophobicContact CZ-CE2 3.84Å; F138-F169 HydrophobicContact CZ-CG 4.19Å; H139-F169 PolarHBondContact N-O 3.25Å; F169-F202 HydrophobicContact CD1-CB 4.31Å; F169-F202 HydrophobicContact CD1-CD2 4.09Å; F169-F202 AromaticContact CE1-CD2 3.82Å; F169-F202 HydrophobicContact CE1-CD2 3.82Å; F169-F202 HydrophobicContact CE1-CE2 4.49Å; F169-F202 HydrophobicContact CE2-CD2 4.4Å; F169-F202 AromaticContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CE2 4.27Å; F169-V235 HydrophobicContact CD1-CG2 3.59Å; F169-V235 HydrophobicContact CE1-CB 4.14Å; F169-V235 HydrophobicContact CE1-CG1 4.32Å; F169-V235 HydrophobicContact CE1-CG2 3.56Å; F169-V235 HydrophobicContact CG-CG2 4.21Å; F169-V235 HydrophobicContact CZ-CB 4.47Å; F169-V235 HydrophobicContact CZ-CG1 4.17Å; F169-V235 HydrophobicContact CZ-CG2 4.22Å; F169-I238 HydrophobicContact CE1-CD1 3.58Å; F169-I238 HydrophobicContact CE1-CG1 4.47Å; F169-I238 HydrophobicContact CZ-CB 4.36Å; F169-I238 HydrophobicContact CZ-CD1 4.03Å; F169-I238 HydrophobicContact CZ-CG2 4.23Å
170A97.4Very high92.1Very high0 Ų044.9 Ų44.90%024%0.244CC..EExtended strand (participates in β ladder)trans-113.1125.6-163.600000111.8F141 Y172 F202 M203 V204F141-A170 HydrophobicContact CD2-CB 3.72Å; F141-A170 HydrophobicContact CE2-CB 3.37Å; F141-A170 HydrophobicContact CZ-CB 4.36Å; A170-Y172 PolarHBondContact O-N 3.41Å; A170-F202 PolarHBondContact N-O 2.95Å; A170-M203 HydrophobicContact CB-SD 3.95Å; A170-V204 WeakPolarHBondContact O-CG2 3.43Å; A170-V204 PolarHBondContact O-N 3.02Å; A170-V204 VanDerWaalsContact O-N 3.08Å
171I97.1Very high91.9Very high5 Ų545 Ų453%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-79.5110.5164.2-51.4-55.7000108.7A12 I16 H139 S140 F141 V204 I231A12-I171 HydrophobicContact CB-CG1 4.25Å; I16-I171 HydrophobicContact CD1-CD1 3.64Å; I16-I171 HydrophobicContact CD1-CG1 3.72Å; H139-I171 PolarHBondContact O-N 2.78Å; S140-I171 WeakPolarHBondContact CA-O 3.36Å; S140-I171 PolarHBondContact OG-O 3.16Å; F141-I171 PolarHBondContact N-O 3.39Å; I171-V204 CarbonylContact C-O 3.49Å; I171-V204 WeakPolarHBondContact CA-O 3.34Å; I171-V204 HydrophobicContact CD1-CG2 3.34Å; I171-I231 HydrophobicContact CD1-CD1 3.59Å
172Y96.1Very high91.8Very high8 Ų843.5 Ų43.53%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-89.3152177.7-156.5-109.4000112.1F141 A170 A174 M203 V204 A387 W388 L391F141-Y172 HydrophobicContact CB-CD2 4.15Å; F141-Y172 HydrophobicContact CB-CE2 4.48Å; F141-Y172 AromaticContact CD1-CD2 3.67Å; F141-Y172 HydrophobicContact CD1-CD2 3.67Å; F141-Y172 AromaticContact CD1-CE2 3.54Å; F141-Y172 HydrophobicContact CD1-CE2 3.54Å; F141-Y172 HydrophobicContact CE1-CD2 4.18Å; F141-Y172 HydrophobicContact CE1-CE2 4.01Å; F141-Y172 AromaticContact CG-CD2 3.91Å; F141-Y172 HydrophobicContact CG-CD2 3.91Å; F141-Y172 HydrophobicContact CG-CE2 4.2Å; A170-Y172 PolarHBondContact O-N 3.41Å; Y172-A174 PolarHBondContact O-N 3.03Å; Y172-M203 HydrophobicContact CD2-CE 3.11Å; Y172-M203 HydrophobicContact CE2-CE 3.85Å; Y172-M203 HydrophobicContact CG-CE 3.53Å; Y172-V204 PolarHBondContact N-O 3.26Å; Y172-A387 HydrophobicContact CD1-CB 4.37Å; Y172-A387 HydrophobicContact CE1-CB 4.04Å; Y172-W388 HydrophobicContact CD2-CZ3 4.32Å; Y172-W388 HydrophobicContact CE1-CE3 4.15Å; Y172-W388 HydrophobicContact CE1-CZ3 4.01Å; Y172-W388 HydrophobicContact CE2-CE3 4.15Å; Y172-W388 HydrophobicContact CE2-CH2 4.07Å; Y172-W388 AromaticContact CE2-CZ3 3.34Å; Y172-W388 HydrophobicContact CE2-CZ3 3.34Å; Y172-W388 AromaticContact CZ-CE3 3.5Å; Y172-W388 VanDerWaalsContact CZ-CE3 3.5Å; Y172-W388 AromaticContact CZ-CZ3 3.16Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.07Å; Y172-L391 WeakPolarHBondContact OH-CD2 3.41Å
173P93.9Very high92Very high12 Ų1241.1 Ų41.18%0.07822%0.216CC..PPolyproline II helixtrans-56.2130.6177.2-2937.2000113.2E183 S187 L391P173-E183 HydrophobicContact CB-CG 4.03Å; P173-E183 HydrophobicContact CG-CG 3.84Å; P173-S187 WeakPolarHBondContact CG-OG 3.37Å; P173-L391 HydrophobicContact CB-CD1 4.29Å; P173-L391 HydrophobicContact CG-CD1 4.12Å
174A89.7Confident92.2Very high4 Ų431.6 Ų31.63%0.03318%0.176CC..PPolyproline II helixtrans-87.1156.2173.600000111.5Y172 Q176 I177 D205 E207 K394Y172-A174 PolarHBondContact O-N 3.03Å; A174-Q176 PolarHBondContact O-N 3.31Å; A174-I177 HydrophobicContact CB-CB 4.14Å; A174-D205 HydrophobicContact CB-CB 4.39Å; A174-E207 HydrophobicContact CB-CB 3.56Å; A174-K394 PolarHBondContact O-NZ 2.64Å
175P85.5Confident92.3Very high41 Ų4128.2 Ų28.227%0.26616%0.161SC..SBendtrans-56.3-48.3177-27.134.4000114.1E207 K304 K394P175-E207 VanDerWaalsContact CD-OE2 3.29Å; P175-E207 WeakPolarHBondContact CD-OE2 3.26Å; P175-K304 HydrophobicContact CG-CB 3.89Å; P175-K304 HydrophobicContact CG-CG 4.19Å; P175-K394 PolarHBondContact O-NZ 3.26Å
176Q85.4Confident92.5Very high169 Ų16927.8 Ų27.879%0.7916%0.158SC*.SBendtrans-111.7-19.1-171.1-56.8-1748.700114.1A174 E207A174-Q176 PolarHBondContact O-N 3.31Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.44Å; Q176-E207 PolarHBondContact N-OE2 3.42Å
177I81.1Confident92.6Very high57 Ų5727.5 Ų27.529%0.29216%0.156SC..  trans-104.497.7179.2-53.7-178.6000108.5A174 E207A174-I177 HydrophobicContact CB-CB 4.14Å; I177-E207 HydrophobicContact CD1-CB 3.84Å; I177-E207 HydrophobicContact CD1-CG 4.1Å; I177-E207 HydrophobicContact CG1-CB 4.16Å; I177-E207 HydrophobicContact CG1-CG 4.28Å
178S83.3Confident92.6Very high61 Ų6127.5 Ų27.543%0.42716%0.156SC..  trans-113.1131.9173.8-172.70000109.9A180 E183S178-A180 PolarHBondContact OG-O 3.19Å; S178-A180 VanDerWaalsContact OG-O 3.06Å; S178-E183 WeakPolarHBondContact CA-OE2 3.37Å; S178-E183 WeakPolarHBondContact CB-OE2 3.4Å; S178-E183 PolarHBondContact OG-OE2 3.38Å
179T79.9Confident92.6Very high74 Ų7427.6 Ų27.645%0.45416%0.157SC..SBendtrans-89.1-16.2179.654.10000113E183T179-E183 PolarHBondContact N-OE1 2.76Å
180A88.1Confident92.6Very high11 Ų1127.2 Ų27.29%0.09116%0.155CC..  trans-148.7142.4-177.100000111.6N101 S178 V182 E183N101-A180 HydrophobicContact CB-CB 3.71Å; S178-A180 PolarHBondContact OG-O 3.19Å; S178-A180 VanDerWaalsContact OG-O 3.06Å; A180-V182 PolarHBondContact O-N 3.34Å; A180-E183 HydrophobicContact CB-CB 4.49Å; A180-E183 WeakPolarHBondContact O-CB 3.37Å; A180-E183 PolarHBondContact O-N 2.89Å; A180-E183 VanDerWaalsContact O-N 3.1Å
181V91.9Very high92.6Very high103 Ų10327.3 Ų27.362%0.62416%0.156SC*.THydrogen-bonded Turntrans-60.9-30.7178.8-178.10000112.1M398 F404V181-M398 VanDerWaalsContact O-CE 3.31Å; V181-M398 WeakPolarHBondContact O-CE 3.37Å; V181-F404 HydrophobicContact CG1-CD2 4.34Å; V181-F404 HydrophobicContact CG1-CE2 3.47Å; V181-F404 VanDerWaalsContact CG1-CE2 3.47Å; V181-F404 HydrophobicContact CG1-CZ 3.73Å
182V95.8Very high92.6Very high6 Ų629.3 Ų29.34%0.03617%0.165CC..THydrogen-bonded Turntrans-95.210.1-178.8-57.50000113.7N101 A180 P184 Y185 N186 F404 W407 Y408N101-V182 WeakPolarHBondContact O-CG2 3.28Å; A180-V182 PolarHBondContact O-N 3.34Å; V182-P184 VanDerWaalsContact C-CD 3.4Å; V182-P184 VanDerWaalsContact C-N 3.28Å; V182-Y185 PolarHBondContact O-N 2.94Å; V182-Y185 VanDerWaalsContact O-N 3.1Å; V182-N186 PolarHBondContact O-N 3.24Å; V182-F404 HydrophobicContact CG1-CB 3.72Å; V182-F404 HydrophobicContact CG1-CD1 4.23Å; V182-F404 HydrophobicContact CG1-CD2 3.98Å; V182-F404 HydrophobicContact CG1-CG 3.71Å; V182-W407 HydrophobicContact CG1-CE3 4.44Å; V182-Y408 HydrophobicContact CB-CE2 4.26Å; V182-Y408 VanDerWaalsContact CB-OH 3.26Å; V182-Y408 WeakPolarHBondContact CB-OH 3.32Å; V182-Y408 HydrophobicContact CG1-CE2 4.37Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.49Å; V182-Y408 PolarHBondContact O-OH 3.11Å
183E96.4Very high92.7Very high9 Ų929.4 Ų29.44%0.04217%0.166CC..Hα-helixtrans-49-41.9175.7174.6-179.2-96.100113.2P173 S178 T179 A180 Y185 N186 S187P173-E183 HydrophobicContact CB-CG 4.03Å; P173-E183 HydrophobicContact CG-CG 3.84Å; S178-E183 WeakPolarHBondContact CA-OE2 3.37Å; S178-E183 WeakPolarHBondContact CB-OE2 3.4Å; S178-E183 PolarHBondContact OG-OE2 3.38Å; T179-E183 PolarHBondContact N-OE1 2.76Å; A180-E183 HydrophobicContact CB-CB 4.49Å; A180-E183 WeakPolarHBondContact O-CB 3.37Å; A180-E183 PolarHBondContact O-N 2.89Å; A180-E183 VanDerWaalsContact O-N 3.1Å; E183-Y185 VanDerWaalsContact C-N 3.34Å; E183-Y185 PolarHBondContact O-N 3.23Å; E183-N186 PolarHBondContact O-N 3.35Å; E183-S187 WeakPolarHBondContact O-CB 3.23Å; E183-S187 PolarHBondContact O-N 3.08Å; E183-S187 PolarHBondContact O-OG 3.3Å; E183-S187 VanDerWaalsContact O-OG 3.05Å
184P96.7Very high92.8Very high8 Ų829 Ų295%0.05216%0.164CC..Hα-helixtrans-58.5-41.1177.9-27.137.1000114.6V182 I188 L391 K394 F395 M398V182-P184 VanDerWaalsContact C-CD 3.4Å; V182-P184 VanDerWaalsContact C-N 3.28Å; P184-I188 PolarHBondContact O-N 2.95Å; P184-I188 VanDerWaalsContact O-N 3.13Å; P184-L391 HydrophobicContact CB-CD1 4.1Å; P184-K394 HydrophobicContact CB-CB 4.1Å; P184-K394 HydrophobicContact CG-CB 3.77Å; P184-K394 HydrophobicContact CG-CD 4.37Å; P184-F395 HydrophobicContact CB-CB 4.37Å; P184-M398 HydrophobicContact CB-SD 4.18Å; P184-M398 HydrophobicContact CG-SD 3.81Å
185Y97.9Very high93.1Very high0 Ų029.6 Ų29.60%017%0.166CC..Hα-helixtrans-66-48.7176.8-73.2-12.3000111.7V182 E183 S187 I188 L189 F395 M398 Y399 A403 F404 V405 Y408 F418V182-Y185 PolarHBondContact O-N 2.94Å; V182-Y185 VanDerWaalsContact O-N 3.1Å; E183-Y185 VanDerWaalsContact C-N 3.34Å; E183-Y185 PolarHBondContact O-N 3.23Å; Y185-S187 VanDerWaalsContact C-N 3.26Å; Y185-S187 PolarHBondContact O-N 3.05Å; Y185-I188 PolarHBondContact O-N 2.91Å; Y185-L189 WeakPolarHBondContact O-CB 3.18Å; Y185-L189 WeakPolarHBondContact O-CD1 3.32Å; Y185-L189 VanDerWaalsContact O-CG 3.24Å; Y185-L189 WeakPolarHBondContact O-CG 3.29Å; Y185-L189 PolarHBondContact O-N 3.49Å; Y185-F395 AromaticContact CD1-CD2 3.39Å; Y185-F395 HydrophobicContact CD1-CD2 3.39Å; Y185-F395 AromaticContact CD1-CE2 3.48Å; Y185-F395 HydrophobicContact CD1-CE2 3.48Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.48Å; Y185-F395 HydrophobicContact CD1-CG 4.28Å; Y185-F395 HydrophobicContact CD1-CZ 4.43Å; Y185-F395 AromaticContact CE1-CD2 3.79Å; Y185-F395 HydrophobicContact CE1-CD2 3.79Å; Y185-F395 AromaticContact CE1-CE2 3.82Å; Y185-F395 HydrophobicContact CE1-CE2 3.82Å; Y185-F395 HydrophobicContact CE1-CG 4.33Å; Y185-F395 HydrophobicContact CE1-CZ 4.38Å; Y185-M398 HydrophobicContact CD2-CE 4.43Å; Y185-M398 HydrophobicContact CE1-CB 3.98Å; Y185-M398 HydrophobicContact CE2-CE 4.19Å; Y185-M398 VanDerWaalsContact OH-C 3.25Å; Y185-M398 PolarHBondContact OH-O 2.93Å; Y185-Y399 HydrophobicContact CE1-CD2 4.4Å; Y185-Y399 VanDerWaalsContact OH-CA 3.31Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.36Å; Y185-Y399 PolarHBondContact OH-N 3.06Å; Y185-A403 WeakPolarHBondContact CE2-O 3.26Å; Y185-A403 PolarHBondContact OH-O 3.45Å; Y185-F404 HydrophobicContact CE2-CB 4.35Å; Y185-V405 HydrophobicContact CE2-CG2 4.24Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.43Å; Y185-Y408 HydrophobicContact CD2-CD2 4.26Å; Y185-Y408 AromaticContact CD2-CE2 3.68Å; Y185-Y408 HydrophobicContact CD2-CE2 3.68Å; Y185-Y408 AromaticContact CD2-CZ 3.94Å; Y185-F418 HydrophobicContact CD1-CD1 4.32Å; Y185-F418 AromaticContact CD1-CE1 3.94Å; Y185-F418 HydrophobicContact CD1-CE1 3.94Å; Y185-F418 AromaticContact CD2-CE1 3.85Å; Y185-F418 HydrophobicContact CD2-CE1 3.85Å; Y185-F418 HydrophobicContact CD2-CZ 4.13Å; Y185-F418 HydrophobicContact CE1-CE1 4.43Å; Y185-F418 HydrophobicContact CE2-CE1 4.33Å; Y185-F418 HydrophobicContact CE2-CZ 4.45Å; Y185-F418 HydrophobicContact CG-CD1 4.43Å; Y185-F418 AromaticContact CG-CE1 3.63Å; Y185-F418 HydrophobicContact CG-CE1 3.63Å; Y185-F418 HydrophobicContact CG-CZ 4.36Å
186N98Very high93.6Very high0 Ų033.9 Ų33.90%018%0.183CC..Hα-helixtrans-57.8-42.9179.5-67.9-12.2000111.8N101 Y103 F141 G142 V182 E183 T190 Y408N101-N186 PolarHBondContact O-ND2 3.14Å; Y103-N186 WeakPolarHBondContact CB-OD1 3.36Å; Y103-N186 PolarHBondContact N-OD1 3Å; F141-N186 CarbonylContact O-C 3.55Å; F141-N186 VanDerWaalsContact O-C 3.24Å; F141-N186 WeakPolarHBondContact O-CB 3.47Å; G142-N186 PolarHBondContact O-ND2 3.3Å; V182-N186 PolarHBondContact O-N 3.24Å; E183-N186 PolarHBondContact O-N 3.35Å; N186-T190 WeakPolarHBondContact O-CB 3.49Å; N186-T190 PolarHBondContact O-N 2.69Å; N186-T190 PolarHBondContact O-OG1 3.07Å; N186-Y408 PolarHBondContact OD1-OH 3.3Å
187S97.5Very high94.1Very high0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-73.2-37.8-174.9-62.10000112.9F141 G142 P173 E183 Y185 T191 L391F141-S187 VanDerWaalsContact O-CA 3.23Å; F141-S187 WeakPolarHBondContact O-CA 2.89Å; F141-S187 PolarHBondContact O-N 3.33Å; F141-S187 VanDerWaalsContact O-N 3.15Å; F141-S187 PolarHBondContact O-OG 3.01Å; G142-S187 PolarHBondContact N-OG 3.15Å; P173-S187 WeakPolarHBondContact CG-OG 3.37Å; E183-S187 WeakPolarHBondContact O-CB 3.23Å; E183-S187 PolarHBondContact O-N 3.08Å; E183-S187 PolarHBondContact O-OG 3.3Å; E183-S187 VanDerWaalsContact O-OG 3.05Å; Y185-S187 VanDerWaalsContact C-N 3.26Å; Y185-S187 PolarHBondContact O-N 3.05Å; S187-T191 WeakPolarHBondContact O-CB 3.45Å; S187-T191 PolarHBondContact O-N 3.36Å; S187-T191 PolarHBondContact O-OG1 2.87Å; S187-L391 VanDerWaalsContact CB-CD2 3.5Å
188I97.5Very high94.8Very high0 Ų025.4 Ų25.40%014%0.143CC..Hα-helixtrans-65.4-47.5173-86.5158.8000111.1P184 Y185 T190 T191 H192 L391 F395 A421 L425P184-I188 PolarHBondContact O-N 2.95Å; P184-I188 VanDerWaalsContact O-N 3.13Å; Y185-I188 PolarHBondContact O-N 2.91Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 2.59Å; I188-T191 PolarHBondContact O-N 2.76Å; I188-H192 PolarHBondContact O-N 3.25Å; I188-L391 HydrophobicContact CD1-CD2 4.37Å; I188-L391 HydrophobicContact CD1-CG 4.18Å; I188-L391 HydrophobicContact CG1-CD2 3.81Å; I188-L391 HydrophobicContact CG1-CG 4.16Å; I188-F395 HydrophobicContact CB-CD2 4.13Å; I188-F395 HydrophobicContact CB-CE2 4.34Å; I188-F395 HydrophobicContact CD1-CB 3.27Å; I188-F395 HydrophobicContact CD1-CD1 4.19Å; I188-F395 HydrophobicContact CD1-CD2 3.22Å; I188-F395 HydrophobicContact CD1-CE2 4.07Å; I188-F395 HydrophobicContact CD1-CG 3.31Å; I188-F395 HydrophobicContact CG1-CD2 4.24Å; I188-F395 HydrophobicContact CG2-CD2 4.24Å; I188-F395 HydrophobicContact CG2-CE2 4.02Å; I188-A421 HydrophobicContact CG2-CB 3.65Å; I188-L425 HydrophobicContact CD1-CD2 4.22Å; I188-L425 HydrophobicContact CG1-CD2 3.53Å
189L98.2Very high95.4Very high3 Ų324.2 Ų24.22%0.01613%0.132CC..Hα-helixtrans-61.4-39.4178.5-66.9166.9000112Y103 Y185 H192 T193 Y408 M413 F418 A421Y103-L189 HydrophobicContact CD1-CB 4.02Å; Y103-L189 HydrophobicContact CD1-CD1 3.67Å; Y103-L189 HydrophobicContact CD1-CG 4.43Å; Y103-L189 HydrophobicContact CD2-CB 3.8Å; Y103-L189 HydrophobicContact CE1-CB 3.95Å; Y103-L189 HydrophobicContact CE1-CD1 4.21Å; Y103-L189 HydrophobicContact CE2-CB 3.71Å; Y103-L189 HydrophobicContact CG-CB 3.98Å; Y103-L189 HydrophobicContact CG-CD1 3.9Å; Y185-L189 WeakPolarHBondContact O-CB 3.18Å; Y185-L189 WeakPolarHBondContact O-CD1 3.32Å; Y185-L189 VanDerWaalsContact O-CG 3.24Å; Y185-L189 WeakPolarHBondContact O-CG 3.29Å; Y185-L189 PolarHBondContact O-N 3.49Å; L189-H192 WeakPolarHBondContact O-CB 3.15Å; L189-H192 PolarHBondContact O-N 3.2Å; L189-T193 PolarHBondContact O-N 2.81Å; L189-Y408 HydrophobicContact CD1-CD1 3.96Å; L189-Y408 HydrophobicContact CD1-CE1 3.87Å; L189-M413 HydrophobicContact CD1-CE 3.72Å; L189-M413 HydrophobicContact CD1-SD 3.91Å; L189-M413 HydrophobicContact CD2-CE 3.47Å; L189-M413 VanDerWaalsContact CD2-CE 3.47Å; L189-M413 HydrophobicContact CD2-SD 4.47Å; L189-M413 HydrophobicContact CG-CE 4.25Å; L189-F418 HydrophobicContact CD1-CD1 4.39Å; L189-F418 HydrophobicContact CD1-CE1 3.93Å; L189-F418 HydrophobicContact CD2-CD1 4.43Å; L189-A421 HydrophobicContact CD2-CB 3.94Å
190T98.2Very high96.1Very high1 Ų120.7 Ų20.71%0.00611%0.11CC..Hα-helixtrans-69.3-40.5175.9-58.70000112.1F141 S147 N186 I188 H192 T193 T194F141-T190 HydrophobicContact CD1-CG2 4.07Å; F141-T190 HydrophobicContact CD2-CG2 4.02Å; F141-T190 HydrophobicContact CE1-CG2 4.2Å; F141-T190 HydrophobicContact CE2-CG2 4.12Å; F141-T190 HydrophobicContact CG-CG2 3.99Å; F141-T190 HydrophobicContact CZ-CG2 4.22Å; S147-T190 VanDerWaalsContact CA-OG1 3.22Å; S147-T190 WeakPolarHBondContact CA-OG1 3.44Å; S147-T190 WeakPolarHBondContact CB-OG1 3.15Å; N186-T190 WeakPolarHBondContact O-CB 3.49Å; N186-T190 PolarHBondContact O-N 2.69Å; N186-T190 PolarHBondContact O-OG1 3.07Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 2.59Å; T190-H192 PolarHBondContact O-N 3.1Å; T190-T193 PolarHBondContact O-N 2.85Å; T190-T194 WeakPolarHBondContact O-CB 3.46Å; T190-T194 PolarHBondContact O-N 3.5Å; T190-T194 PolarHBondContact O-OG1 2.74Å; T190-T194 VanDerWaalsContact O-OG1 3.09Å
191T97.4Very high96.5Very high1 Ų120.1 Ų20.11%0.00611%0.106CC..Hα-helixtrans-59.4-39.9178.5-54.50000110.5F141 S187 I188 T194 L195 F267 W388 L425 L428F141-T191 WeakPolarHBondContact CD1-OG1 3.43Å; F141-T191 WeakPolarHBondContact CE1-OG1 3.37Å; S187-T191 WeakPolarHBondContact O-CB 3.45Å; S187-T191 PolarHBondContact O-N 3.36Å; S187-T191 PolarHBondContact O-OG1 2.87Å; I188-T191 PolarHBondContact O-N 2.76Å; T191-T194 PolarHBondContact O-N 3.03Å; T191-L195 HydrophobicContact CG2-CD1 4.39Å; T191-L195 HydrophobicContact CG2-CG 4.48Å; T191-L195 WeakPolarHBondContact O-CG 3.4Å; T191-L195 PolarHBondContact O-N 2.79Å; T191-F267 HydrophobicContact CG2-CZ 4.11Å; T191-W388 HydrophobicContact CG2-CZ3 4.13Å; T191-L425 HydrophobicContact CG2-CD1 3.95Å; T191-L428 HydrophobicContact CG2-CD2 4.39Å
192H96.8Very high96.7Very high48 Ų4815.4 Ų15.422%0.2228%0.077CC..Hα-helixtrans-57.4-49174.9-17857.2000112.4I188 L189 T190 L195 A421 D424I188-H192 PolarHBondContact O-N 3.25Å; L189-H192 WeakPolarHBondContact O-CB 3.15Å; L189-H192 PolarHBondContact O-N 3.2Å; T190-H192 PolarHBondContact O-N 3.1Å; H192-L195 PolarHBondContact O-N 2.95Å; H192-A421 HydrophobicContact CB-CB 3.66Å; H192-D424 IonicContact CE1-OD2 3.13Å; H192-D424 IonicContact CG-OD2 2.78Å; H192-D424 IonicContact ND1-OD2 3.34Å; H192-D424 PolarHBondContact ND1-OD2 2.91Å
193T96.9Very high96.8Very high9 Ų915.2 Ų15.26%0.0558%0.075CC..Hα-helixtrans-68.9-38.2176.2-52.20000112.9Y103 E155 L189 T190 L195 E196 H197Y103-T193 PolarHBondContact OH-OG1 2.9Å; E155-T193 HydrophobicContact CG-CG2 4.13Å; L189-T193 PolarHBondContact O-N 2.81Å; T190-T193 PolarHBondContact O-N 2.85Å; T193-L195 VanDerWaalsContact C-N 3.29Å; T193-L195 PolarHBondContact O-N 3.43Å; T193-E196 PolarHBondContact O-N 2.98Å; T193-H197 PolarHBondContact O-N 2.9Å; T193-H197 VanDerWaalsContact O-N 3.09Å
194T97.1Very high96.8Very high5 Ų515.1 Ų15.13%0.0318%0.076CC..Hα-helixtrans-59.7-40.8176.4-65.70000110.8F141 E168 T190 T191 E196 H197 S198 A201 H266 F267F141-T194 HydrophobicContact CZ-CG2 4.12Å; E168-T194 PolarHBondContact OE2-OG1 3.03Å; E168-T194 VanDerWaalsContact OE2-OG1 3.12Å; T190-T194 WeakPolarHBondContact O-CB 3.46Å; T190-T194 PolarHBondContact O-N 3.5Å; T190-T194 PolarHBondContact O-OG1 2.74Å; T190-T194 VanDerWaalsContact O-OG1 3.09Å; T191-T194 PolarHBondContact O-N 3.03Å; T194-E196 PolarHBondContact O-N 2.6Å; T194-H197 PolarHBondContact O-N 3.49Å; T194-S198 WeakPolarHBondContact O-CB 3.35Å; T194-S198 PolarHBondContact O-N 2.63Å; T194-A201 HydrophobicContact CG2-CB 4.1Å; T194-H266 PolarHBondContact O-CE1 2.91Å; T194-H266 PolarHBondContact O-NE2 3.09Å; T194-F267 HydrophobicContact CG2-CE1 3.72Å; T194-F267 HydrophobicContact CG2-CZ 3.97Å
195L96.5Very high96.7Very high16 Ų1614.9 Ų14.98%0.0847%0.074CC..Hα-helixtrans-56.7-33.9177.9-80.8169.4000113.3T191 H192 T193 R264 F267 D424 L428T191-L195 HydrophobicContact CG2-CD1 4.39Å; T191-L195 HydrophobicContact CG2-CG 4.48Å; T191-L195 WeakPolarHBondContact O-CG 3.4Å; T191-L195 PolarHBondContact O-N 2.79Å; H192-L195 PolarHBondContact O-N 2.95Å; T193-L195 VanDerWaalsContact C-N 3.29Å; T193-L195 PolarHBondContact O-N 3.43Å; L195-R264 HydrophobicContact CD2-CB 4.09Å; L195-R264 HydrophobicContact CD2-CG 4.44Å; L195-R264 WeakPolarHBondContact CD2-O 3.27Å; L195-F267 HydrophobicContact CD2-CE2 3.77Å; L195-F267 HydrophobicContact CD2-CZ 4.1Å; L195-F267 HydrophobicContact CG-CE2 4.44Å; L195-F267 HydrophobicContact CG-CZ 4.31Å; L195-D424 WeakPolarHBondContact CD1-OD2 3.48Å; L195-L428 HydrophobicContact CD1-CD2 4.36Å; L195-L428 HydrophobicContact CD2-CD1 3.97Å; L195-L428 HydrophobicContact CD2-CD2 4.07Å
196E95Very high96.6Very high130 Ų13015.9 Ų15.961%0.6078%0.079SC*.Hα-helixtrans-93.1-26.8-177.4-63-165.5162.800114.4T193 T194T193-E196 PolarHBondContact O-N 2.98Å; T194-E196 PolarHBondContact O-N 2.6Å
197H96.5Very high96.4Very high38 Ų3816.8 Ų16.818%0.1768%0.084CC..Hα-helixtrans-121.6-11.3-166.1-64.7-25.2000115M154 E155 S158 K166 T193 T194M154-H197 HydrophobicContact CB-CB 4.12Å; M154-H197 VanDerWaalsContact CE-C 3.48Å; M154-H197 HydrophobicContact CE-CB 4.02Å; M154-H197 WeakPolarHBondContact CE-O 3.3Å; E155-H197 WeakPolarHBondContact CG-NE2 3.45Å; S158-H197 WeakPolarHBondContact OG-CB 3.48Å; S158-H197 PolarHBondContact OG-ND1 2.83Å; K166-H197 WeakPolarHBondContact CD-O 3.48Å; K166-H197 WeakPolarHBondContact CE-O 3.4Å; T193-H197 PolarHBondContact O-N 2.9Å; T193-H197 VanDerWaalsContact O-N 3.09Å; T194-H197 PolarHBondContact O-N 3.49Å
198S95.6Very high96.4Very high11 Ų1117 Ų178%0.0779%0.086CC..  trans-92.5142.9175.4-152.50000112E168 T194E168-S198 WeakPolarHBondContact OE1-CB 3.33Å; E168-S198 PolarHBondContact OE1-OG 3.46Å; T194-S198 WeakPolarHBondContact O-CB 3.35Å; T194-S198 PolarHBondContact O-N 2.63Å
199D94.7Very high96.3Very high35 Ų3517 Ų1719%0.1879%0.086CC..SBendtrans-86.7-29.8168-66-72.4000111.6S165 K166 L167 Q256S165-D199 WeakPolarHBondContact CA-OD2 3.23Å; K166-D199 PolarHBondContact N-OD2 3.08Å; K166-D199 PolarHBondContact O-N 2.8Å; L167-D199 HydrophobicContact CD2-CB 4.42Å; D199-Q256 HydrophobicContact CB-CG 4.44Å; D199-Q256 PolarHBondContact OD1-NE2 3.49Å
200C94.9Very high96.2Very high0 Ų020.1 Ų20.10%010%0.097CC..EExtended strand (participates in β ladder)trans-169.2131.7179.6-173.50000110.8L167 E168 F202 V260 P268L167-C200 CarbonylContact C-O 3.44Å; L167-C200 WeakPolarHBondContact CA-O 3.31Å; L167-C200 HydrophobicContact CD2-CB 3.64Å; E168-C200 PolarHBondContact N-O 2.76Å; C200-F202 VanDerWaalsContact SG-CE1 3.55Å; C200-V260 HydrophobicContact CB-CG2 4.4Å; C200-P268 WeakPolarHBondContact SG-CD 3.46Å; C200-P268 VanDerWaalsContact SG-CG 3.58Å
201A96.8Very high96.1Very high0 Ų022.8 Ų22.80%011%0.112CC..EExtended strand (participates in β ladder)trans-115.3110.1177.400000110.8E168 T194 M203 H266 F267 P268E168-A201 HydrophobicContact CB-CB 3.94Å; T194-A201 HydrophobicContact CG2-CB 4.1Å; A201-M203 HydrophobicContact CB-SD 3.94Å; A201-M203 WeakPolarHBondContact O-CG 3.39Å; A201-M203 PolarHBondContact O-N 3.42Å; A201-H266 PolarHBondContact N-O 3.31Å; A201-F267 HydrophobicContact CB-CD1 3.83Å; A201-F267 HydrophobicContact CB-CE1 4.08Å; A201-F267 CarbonylContact O-C 3.54Å; A201-F267 WeakPolarHBondContact O-CA 3.37Å; A201-P268 WeakPolarHBondContact O-CD 3.42Å
202F96.9Very high96.1Very high3 Ų322.8 Ų22.81%0.01311%0.112CC..EExtended strand (participates in β ladder)trans-78.4110.7175.2-55.5-58.3000109.9L167 E168 F169 A170 C200 I238 F255 L259 P268 L378L167-F202 HydrophobicContact CB-CE2 4.24Å; L167-F202 HydrophobicContact CD1-CE2 4.31Å; E168-F202 WeakPolarHBondContact O-CB 3.46Å; E168-F202 WeakPolarHBondContact O-CD2 3.2Å; E168-F202 PolarHBondContact O-N 3.4Å; F169-F202 HydrophobicContact CD1-CB 4.31Å; F169-F202 HydrophobicContact CD1-CD2 4.09Å; F169-F202 AromaticContact CE1-CD2 3.82Å; F169-F202 HydrophobicContact CE1-CD2 3.82Å; F169-F202 HydrophobicContact CE1-CE2 4.49Å; F169-F202 HydrophobicContact CE2-CD2 4.4Å; F169-F202 AromaticContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CD2 3.97Å; F169-F202 HydrophobicContact CZ-CE2 4.27Å; A170-F202 PolarHBondContact N-O 2.95Å; C200-F202 VanDerWaalsContact SG-CE1 3.55Å; F202-I238 HydrophobicContact CD1-CD1 4.24Å; F202-I238 HydrophobicContact CD2-CD1 3.72Å; F202-I238 HydrophobicContact CE1-CD1 4.34Å; F202-I238 HydrophobicContact CE2-CD1 3.81Å; F202-I238 HydrophobicContact CE2-CG2 4.16Å; F202-I238 HydrophobicContact CG-CD1 3.94Å; F202-I238 HydrophobicContact CZ-CD1 4.12Å; F202-I238 HydrophobicContact CZ-CG2 4.43Å; F202-F255 HydrophobicContact CZ-CB 4.28Å; F202-F255 HydrophobicContact CZ-CD1 4.48Å; F202-F255 HydrophobicContact CZ-CD2 4.49Å; F202-F255 HydrophobicContact CZ-CG 4.18Å; F202-L259 HydrophobicContact CE1-CD1 4.15Å; F202-P268 HydrophobicContact CD1-CB 4.26Å; F202-P268 HydrophobicContact CD1-CG 4.39Å; F202-P268 HydrophobicContact CE1-CG 4.42Å; F202-L378 HydrophobicContact CD1-CD1 4.15Å; F202-L378 HydrophobicContact CD1-CD2 3.92Å; F202-L378 HydrophobicContact CE1-CD1 3.63Å; F202-L378 HydrophobicContact CE1-CD2 4.29Å; F202-L378 HydrophobicContact CE1-CG 4.41Å; F202-L378 HydrophobicContact CZ-CD1 4.13Å
203M96.8Very high96Very high2 Ų220.5 Ų20.51%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-91134.7-171.7-53.5-54.2-84.200111.3F141 A170 Y172 A201 F267 P268 L269 A270 V303 I384 W388F141-M203 HydrophobicContact CE1-CE 4.32Å; F141-M203 HydrophobicContact CZ-CE 4.22Å; A170-M203 HydrophobicContact CB-SD 3.95Å; Y172-M203 HydrophobicContact CD2-CE 3.11Å; Y172-M203 HydrophobicContact CE2-CE 3.85Å; Y172-M203 HydrophobicContact CG-CE 3.53Å; A201-M203 HydrophobicContact CB-SD 3.94Å; A201-M203 WeakPolarHBondContact O-CG 3.39Å; A201-M203 PolarHBondContact O-N 3.42Å; M203-F267 HydrophobicContact CE-CD1 4.1Å; M203-F267 HydrophobicContact CG-CB 3.95Å; M203-F267 HydrophobicContact CG-CD1 4.21Å; M203-F267 HydrophobicContact SD-CD1 3.8Å; M203-P268 PolarHBondContact N-O 3.37Å; M203-L269 HydrophobicContact CB-CD2 4.07Å; M203-A270 PolarHBondContact O-N 3.37Å; M203-V303 HydrophobicContact CB-CG2 4.02Å; M203-V303 WeakPolarHBondContact O-CG2 3.4Å; M203-I384 HydrophobicContact CG-CD1 4.12Å; M203-W388 HydrophobicContact CE-CH2 4.05Å
204V96.7Very high95.9Very high8 Ų826.7 Ų26.75%0.04812%0.123CC..EExtended strand (participates in β ladder)trans-139.2158.3167.3-61.60000109.8A170 I171 Y172 I209 I231 A270 M302A170-V204 WeakPolarHBondContact O-CG2 3.43Å; A170-V204 PolarHBondContact O-N 3.02Å; A170-V204 VanDerWaalsContact O-N 3.08Å; I171-V204 CarbonylContact C-O 3.49Å; I171-V204 WeakPolarHBondContact CA-O 3.34Å; I171-V204 HydrophobicContact CD1-CG2 3.34Å; Y172-V204 PolarHBondContact N-O 3.26Å; V204-I209 HydrophobicContact CB-CD1 3.88Å; V204-I209 HydrophobicContact CG1-CD1 4.46Å; V204-I209 HydrophobicContact CG2-CD1 4.21Å; V204-I231 HydrophobicContact CG2-CD1 4.15Å; V204-I231 HydrophobicContact CG2-CG1 4.39Å; V204-A270 HydrophobicContact CG1-CB 4Å; V204-M302 CarbonylContact C-O 3.6Å; V204-M302 WeakPolarHBondContact CA-O 3.38Å; V204-M302 HydrophobicContact CB-CB 4.19Å; V204-M302 HydrophobicContact CG1-CB 3.86Å; V204-M302 HydrophobicContact CG1-SD 4.19Å
205D95.2Very high95.8Very high2 Ų231.5 Ų31.51%0.01114%0.141CC..EExtended strand (participates in β ladder)trans-131.9152171.882.952000111.9A174 E207 A208 I209 M302 V303 K304A174-D205 HydrophobicContact CB-CB 4.39Å; D205-E207 VanDerWaalsContact C-N 3.32Å; D205-E207 PolarHBondContact O-N 2.98Å; D205-E207 WeakPolarHBondContact OD1-CA 3.24Å; D205-E207 PolarHBondContact OD1-N 3.2Å; D205-A208 VanDerWaalsContact OD1-CB 3.26Å; D205-A208 WeakPolarHBondContact OD1-CB 3.35Å; D205-A208 PolarHBondContact OD1-N 3.17Å; D205-I209 WeakPolarHBondContact O-CD1 3.43Å; D205-I209 VanDerWaalsContact O-CG1 3.22Å; D205-I209 WeakPolarHBondContact O-CG1 3.35Å; D205-I209 PolarHBondContact O-N 3.46Å; D205-M302 PolarHBondContact N-O 3.32Å; D205-V303 VanDerWaalsContact OD2-C 3.32Å; D205-V303 WeakPolarHBondContact OD2-CA 3.41Å; D205-K304 WeakPolarHBondContact OD2-CB 3.41Å; D205-K304 WeakPolarHBondContact OD2-CG 3.12Å; D205-K304 PolarHBondContact OD2-N 3.12Å
206N94.7Very high95.7Very high22 Ų2232 Ų3212%0.11814%0.144CC..Hα-helixtrans-68.2-30.2-175.6-72.8-39000113.1Y210 L227N206-Y210 WeakPolarHBondContact O-CB 3.26Å; N206-Y210 PolarHBondContact O-N 3.26Å; N206-L227 HydrophobicContact CB-CD2 4.05Å
207E95.2Very high95.6Very high19 Ų1926.5 Ų26.59%0.08912%0.118CC..Hα-helixtrans-75.5-44-174-173.6-174.2138.700111.8A174 P175 Q176 I177 D205 Y210 D211 K304A174-E207 HydrophobicContact CB-CB 3.56Å; P175-E207 VanDerWaalsContact CD-OE2 3.29Å; P175-E207 WeakPolarHBondContact CD-OE2 3.26Å; Q176-E207 WeakPolarHBondContact CB-OE2 3.44Å; Q176-E207 PolarHBondContact N-OE2 3.42Å; I177-E207 HydrophobicContact CD1-CB 3.84Å; I177-E207 HydrophobicContact CD1-CG 4.1Å; I177-E207 HydrophobicContact CG1-CB 4.16Å; I177-E207 HydrophobicContact CG1-CG 4.28Å; D205-E207 VanDerWaalsContact C-N 3.32Å; D205-E207 PolarHBondContact O-N 2.98Å; D205-E207 WeakPolarHBondContact OD1-CA 3.24Å; D205-E207 PolarHBondContact OD1-N 3.2Å; E207-Y210 PolarHBondContact O-N 3.45Å; E207-D211 PolarHBondContact O-N 3.17Å; E207-K304 HydrophobicContact CB-CG 4.34Å; E207-K304 HydrophobicContact CG-CG 4.45Å; E207-K304 WeakPolarHBondContact OE1-CE 3.34Å
208A96.2Very high95.3Very high5 Ų528.9 Ų28.94%0.04113%0.132CC..Hα-helixtrans-61.7-47.4173.700000110.9D205 Y210 D211 I212 M302 K304D205-A208 VanDerWaalsContact OD1-CB 3.26Å; D205-A208 WeakPolarHBondContact OD1-CB 3.35Å; D205-A208 PolarHBondContact OD1-N 3.17Å; A208-Y210 VanDerWaalsContact C-N 3.35Å; A208-Y210 PolarHBondContact O-N 3.08Å; A208-D211 PolarHBondContact O-N 2.92Å; A208-I212 VanDerWaalsContact O-CG1 3.27Å; A208-I212 WeakPolarHBondContact O-CG1 3.44Å; A208-I212 PolarHBondContact O-N 2.85Å; A208-M302 VanDerWaalsContact CB-C 3.49Å; A208-K304 HydrophobicContact CB-CD 4.22Å; A208-K304 HydrophobicContact CB-CG 4.2Å
209I96.5Very high95.1Very high0 Ų029.6 Ų29.60%014%0.135CC..Hα-helixtrans-65.6-40.3177.8-59.3171000110.6V204 D205 D211 I212 C213 L227 L230 I231 M302V204-I209 HydrophobicContact CB-CD1 3.88Å; V204-I209 HydrophobicContact CG1-CD1 4.46Å; V204-I209 HydrophobicContact CG2-CD1 4.21Å; D205-I209 WeakPolarHBondContact O-CD1 3.43Å; D205-I209 VanDerWaalsContact O-CG1 3.22Å; D205-I209 WeakPolarHBondContact O-CG1 3.35Å; D205-I209 PolarHBondContact O-N 3.46Å; I209-D211 PolarHBondContact O-N 2.88Å; I209-I212 PolarHBondContact O-N 2.81Å; I209-C213 PolarHBondContact O-N 2.92Å; I209-C213 PolarHBondContact O-SG 3.25Å; I209-C213 VanDerWaalsContact O-SG 3.36Å; I209-L227 HydrophobicContact CB-CG 4.02Å; I209-L227 HydrophobicContact CG2-CB 3.88Å; I209-L227 HydrophobicContact CG2-CD1 4.38Å; I209-L227 HydrophobicContact CG2-CG 3.59Å; I209-L230 HydrophobicContact CG2-CB 4.34Å; I209-L230 HydrophobicContact CG2-CD2 3.96Å; I209-L230 HydrophobicContact CG2-CG 4.47Å; I209-I231 HydrophobicContact CD1-CD1 3.8Å; I209-I231 HydrophobicContact CD1-CG1 3.65Å; I209-M302 HydrophobicContact CD1-CB 4.43Å; I209-M302 HydrophobicContact CD1-SD 4.46Å; I209-M302 HydrophobicContact CG1-CB 3.97Å; I209-M302 HydrophobicContact CG1-CG 4.12Å; I209-M302 HydrophobicContact CG1-SD 4.35Å
210Y95.7Very high95Very high67 Ų6734.9 Ų34.926%0.26316%0.159SC..Hα-helixtrans-57.5-47.2174.4-174.9-82.9000111.7N206 E207 A208 I212 C213 R214 P222N206-Y210 WeakPolarHBondContact O-CB 3.26Å; N206-Y210 PolarHBondContact O-N 3.26Å; E207-Y210 PolarHBondContact O-N 3.45Å; A208-Y210 VanDerWaalsContact C-N 3.35Å; A208-Y210 PolarHBondContact O-N 3.08Å; Y210-I212 PolarHBondContact O-N 2.85Å; Y210-C213 PolarHBondContact O-N 3.44Å; Y210-R214 WeakPolarHBondContact O-CB 3.48Å; Y210-R214 PolarHBondContact O-N 3.27Å; Y210-P222 HydrophobicContact CD2-CB 3.77Å; Y210-P222 HydrophobicContact CD2-CG 4.05Å; Y210-P222 HydrophobicContact CE1-CG 4.46Å; Y210-P222 HydrophobicContact CE2-CB 3.91Å; Y210-P222 HydrophobicContact CE2-CG 4.02Å; Y210-P222 WeakPolarHBondContact CE2-O 3.5Å; Y210-P222 HydrophobicContact CG-CB 4.36Å; Y210-P222 HydrophobicContact CG-CG 4.3Å
211D96.1Very high94.9Very high58 Ų5844.1 Ų44.131%0.3119%0.194SC..Hα-helixtrans-65.2-37.5178-77.5-16.7000112.8E207 A208 I209 R214 R215 K304E207-D211 PolarHBondContact O-N 3.17Å; A208-D211 PolarHBondContact O-N 2.92Å; I209-D211 PolarHBondContact O-N 2.88Å; D211-R214 PolarHBondContact O-N 3.03Å; D211-R215 VanDerWaalsContact O-CB 3.23Å; D211-R215 WeakPolarHBondContact O-CB 3.42Å; D211-R215 PolarHBondContact O-N 2.84Å; D211-K304 IonicContact OD2-NZ 2.8Å; D211-K304 PolarHBondContact OD2-NZ 3.32Å
212I96.7Very high94.8Very high1 Ų144.7 Ų44.71%0.00520%0.197CC..Hα-helixtrans-61.6-50173.2-71164.2000110.1A208 I209 Y210 R214 R215 N216 L230 V275 A299 N300 M302A208-I212 VanDerWaalsContact O-CG1 3.27Å; A208-I212 WeakPolarHBondContact O-CG1 3.44Å; A208-I212 PolarHBondContact O-N 2.85Å; I209-I212 PolarHBondContact O-N 2.81Å; Y210-I212 PolarHBondContact O-N 2.85Å; I212-R214 VanDerWaalsContact C-N 3.32Å; I212-R214 PolarHBondContact O-N 2.85Å; I212-R215 PolarHBondContact O-N 2.84Å; I212-N216 VanDerWaalsContact O-CB 3.28Å; I212-N216 WeakPolarHBondContact O-CB 3.26Å; I212-N216 PolarHBondContact O-N 3.21Å; I212-L230 HydrophobicContact CG2-CD2 3.77Å; I212-V275 HydrophobicContact CG2-CB 4.13Å; I212-V275 HydrophobicContact CG2-CG1 3.79Å; I212-V275 HydrophobicContact CG2-CG2 4.07Å; I212-A299 WeakPolarHBondContact CG1-O 3.46Å; I212-N300 WeakPolarHBondContact CD1-O 3.32Å; I212-M302 HydrophobicContact CD1-CG 4.18Å
213C95.6Very high94.7Very high0 Ų048 Ų480%022%0.218CC..Hα-helixtrans-59-44.8177.8-71.20000111.3I209 Y210 L217 P222I209-C213 PolarHBondContact O-N 2.92Å; I209-C213 PolarHBondContact O-SG 3.25Å; I209-C213 VanDerWaalsContact O-SG 3.36Å; Y210-C213 PolarHBondContact O-N 3.44Å; C213-L217 HydrophobicContact CB-CD1 4.32Å; C213-L217 WeakPolarHBondContact O-CA 3.24Å; C213-L217 VanDerWaalsContact O-CB 3.22Å; C213-L217 WeakPolarHBondContact O-CB 3.46Å; C213-L217 PolarHBondContact O-N 2.81Å; C213-P222 HydrophobicContact CB-CB 3.78Å; C213-P222 HydrophobicContact CB-CG 3.62Å
214R95.3Very high94.6Very high138 Ų13852.6 Ų52.652%0.52124%0.236SC..Hα-helixtrans-65.1-43.7-178.6-174.4177.3179.4-172.21.9112.8Y210 D211 I212 I219 P222Y210-R214 WeakPolarHBondContact O-CB 3.48Å; Y210-R214 PolarHBondContact O-N 3.27Å; D211-R214 PolarHBondContact O-N 3.03Å; I212-R214 VanDerWaalsContact C-N 3.32Å; I212-R214 PolarHBondContact O-N 2.85Å; R214-I219 VanDerWaalsContact CA-O 3.32Å; R214-I219 WeakPolarHBondContact CA-O 2.98Å; R214-P222 HydrophobicContact CB-CG 4.16Å
215R94.4Very high94.5Very high106 Ų10655.8 Ų55.840%0.426%0.256SS..Hα-helixtrans-78.9-43-175.9179.1171.740.885.96.9112.9D211 I212 A299 N300D211-R215 VanDerWaalsContact O-CB 3.23Å; D211-R215 WeakPolarHBondContact O-CB 3.42Å; D211-R215 PolarHBondContact O-N 2.84Å; I212-R215 PolarHBondContact O-N 2.84Å; R215-A299 PolarHBondContact NH2-O 2.95Å; R215-N300 PolarHBondContact NH1-OD1 2.95Å
216N93.8Very high94.5Very high28 Ų2856.6 Ų56.615%0.1526%0.26CS..Hα-helixtrans-98-28.9-169.5-65.3-4.5000113.1I212 V275 N300I212-N216 VanDerWaalsContact O-CB 3.28Å; I212-N216 WeakPolarHBondContact O-CB 3.26Å; I212-N216 PolarHBondContact O-N 3.21Å; N216-V275 HydrophobicContact CB-CB 4.29Å; N216-V275 HydrophobicContact CB-CG1 4.02Å; N216-V275 WeakPolarHBondContact CB-O 3.28Å; N216-N300 PolarHBondContact ND2-OD1 3.26Å
217L93.2Very high94.5Very high13 Ų1355.8 Ų55.87%0.06826%0.255CS..SBendtrans-100.80.5-179.7-51.5179000113.5C213 I219 V275 D367 L368C213-L217 HydrophobicContact CB-CD1 4.32Å; C213-L217 WeakPolarHBondContact O-CA 3.24Å; C213-L217 VanDerWaalsContact O-CB 3.22Å; C213-L217 WeakPolarHBondContact O-CB 3.46Å; C213-L217 PolarHBondContact O-N 2.81Å; L217-I219 HydrophobicContact CB-CD1 3.77Å; L217-I219 HydrophobicContact CB-CG1 3.82Å; L217-I219 HydrophobicContact CD1-CD1 4.07Å; L217-I219 PolarHBondContact O-N 3.5Å; L217-V275 HydrophobicContact CD1-CG1 4.26Å; L217-V275 HydrophobicContact CD2-CG1 3.64Å; L217-V275 HydrophobicContact CG-CG1 3.89Å; L217-D367 HydrophobicContact CD1-CB 4.15Å; L217-L368 HydrophobicContact CD1-CD2 4.34Å; L217-L368 HydrophobicContact CD2-CD2 3.88Å
218D89.9Confident94.6Very high88 Ų8855.4 Ų55.447%0.47125%0.254SS..  trans56.426.9-177.5-53.3-61.3000114E220 K280D218-E220 PolarHBondContact O-N 3.23Å; D218-K280 IonicContact OD1-NZ 2.7Å; D218-K280 PolarHBondContact OD1-NZ 2.75Å; D218-K280 WeakPolarHBondContact OD2-CE 3.2Å; D218-K280 IonicContact OD2-NZ 2.69Å; D218-K280 PolarHBondContact OD2-NZ 3.48Å
219I91.5Very high94.6Very high27 Ų2758.2 Ų58.214%0.13826%0.264CS..  trans-87.3110.9178.4-54172000108.1R214 L217 R221 P222 N226 D367R214-I219 VanDerWaalsContact CA-O 3.32Å; R214-I219 WeakPolarHBondContact CA-O 2.98Å; L217-I219 HydrophobicContact CB-CD1 3.77Å; L217-I219 HydrophobicContact CB-CG1 3.82Å; L217-I219 HydrophobicContact CD1-CD1 4.07Å; L217-I219 PolarHBondContact O-N 3.5Å; I219-R221 VanDerWaalsContact C-N 3.3Å; I219-R221 PolarHBondContact O-N 3.16Å; I219-P222 HydrophobicContact CB-CG 4.16Å; I219-P222 HydrophobicContact CG2-CB 4.39Å; I219-P222 HydrophobicContact CG2-CG 4.09Å; I219-P222 VanDerWaalsContact O-CD 3.32Å; I219-P222 WeakPolarHBondContact O-CD 3.26Å; I219-N226 HydrophobicContact CD1-CB 4.21Å; I219-D367 HydrophobicContact CD1-CB 3.87Å
220E92.2Very high94.6Very high146 Ų14658.3 Ų58.368%0.68226%0.264SS*.SBendtrans-62.5-37.5-178.1-168.8-173.2164.600112.6D218D218-E220 PolarHBondContact O-N 3.23Å
221R93.5Very high94.6Very high193 Ų19355.3 Ų55.373%0.72825%0.253SS*.SBendtrans-13280.3179-61-175.4-172.2-163.30.9111I219I219-R221 VanDerWaalsContact C-N 3.3Å; I219-R221 PolarHBondContact O-N 3.16Å
222P94.8Very high94.7Very high12 Ų1252.6 Ų52.68%0.07824%0.238CC..  trans-55144.3173.5-23.332.5000111.8Y210 C213 R214 I219 L227Y210-P222 HydrophobicContact CD2-CB 3.77Å; Y210-P222 HydrophobicContact CD2-CG 4.05Å; Y210-P222 HydrophobicContact CE1-CG 4.46Å; Y210-P222 HydrophobicContact CE2-CB 3.91Å; Y210-P222 HydrophobicContact CE2-CG 4.02Å; Y210-P222 WeakPolarHBondContact CE2-O 3.5Å; Y210-P222 HydrophobicContact CG-CB 4.36Å; Y210-P222 HydrophobicContact CG-CG 4.3Å; C213-P222 HydrophobicContact CB-CB 3.78Å; C213-P222 HydrophobicContact CB-CG 3.62Å; R214-P222 HydrophobicContact CB-CG 4.16Å; I219-P222 HydrophobicContact CB-CG 4.16Å; I219-P222 HydrophobicContact CG2-CB 4.39Å; I219-P222 HydrophobicContact CG2-CG 4.09Å; I219-P222 VanDerWaalsContact O-CD 3.32Å; I219-P222 WeakPolarHBondContact O-CD 3.26Å; P222-L227 HydrophobicContact CB-CD1 3.87Å
223T94.7Very high94.7Very high73 Ų7352.9 Ų52.945%0.44824%0.24SC..  trans-114.2165.717666.70000109.9T225 N226 L227T223-T225 PolarHBondContact O-N 2.65Å; T223-T225 VanDerWaalsContact O-N 3.09Å; T223-T225 PolarHBondContact OG1-N 2.78Å; T223-N226 PolarHBondContact N-OD1 3.4Å; T223-N226 WeakPolarHBondContact O-CB 3.12Å; T223-N226 PolarHBondContact O-N 3.05Å; T223-N226 PolarHBondContact OG1-OD1 2.98Å; T223-L227 WeakPolarHBondContact O-CD1 3.27Å; T223-L227 PolarHBondContact O-N 3.46Å; T223-L227 VanDerWaalsContact O-N 3.15Å
224Y94.3Very high94.7Very high98 Ų9853 Ų5338%0.38424%0.24SC..Hα-helixtrans-55.7-28.5175.3-70.2-64.3000113.2N226 L227 N228Y224-N226 VanDerWaalsContact C-N 3.33Å; Y224-N226 PolarHBondContact O-N 2.86Å; Y224-L227 HydrophobicContact CD1-CD2 4.18Å; Y224-L227 HydrophobicContact CE1-CD2 4.47Å; Y224-L227 PolarHBondContact O-N 2.88Å; Y224-N228 WeakPolarHBondContact O-CB 3.44Å; Y224-N228 PolarHBondContact O-N 3.41Å; Y224-N228 PolarHBondContact O-ND2 3.48Å
225T94.8Very high94.8Very high76 Ų7646.4 Ų46.447%0.46622%0.215SC..Hα-helixtrans-60.9-41.4172.3-54.40000112.1T223 R229T223-T225 PolarHBondContact O-N 2.65Å; T223-T225 VanDerWaalsContact O-N 3.09Å; T223-T225 PolarHBondContact OG1-N 2.78Å; T225-R229 WeakPolarHBondContact O-CB 3.34Å; T225-R229 VanDerWaalsContact O-CG 3.29Å; T225-R229 WeakPolarHBondContact O-CG 3.46Å; T225-R229 PolarHBondContact O-N 2.85Å; T225-R229 VanDerWaalsContact O-N 3.16Å
226N94.9Very high94.8Very high18 Ų1841.4 Ų41.410%0.09620%0.196CC..Hα-helixtrans-69-45.2178-49.8108.5000110.6I219 T223 Y224 R229 L230 D367I219-N226 HydrophobicContact CD1-CB 4.21Å; T223-N226 PolarHBondContact N-OD1 3.4Å; T223-N226 WeakPolarHBondContact O-CB 3.12Å; T223-N226 PolarHBondContact O-N 3.05Å; T223-N226 PolarHBondContact OG1-OD1 2.98Å; Y224-N226 VanDerWaalsContact C-N 3.33Å; Y224-N226 PolarHBondContact O-N 2.86Å; N226-R229 PolarHBondContact O-N 2.78Å; N226-L230 PolarHBondContact O-N 2.95Å; N226-D367 PolarHBondContact ND2-OD2 2.66Å
227L95.9Very high94.8Very high5 Ų540.2 Ų40.23%0.02619%0.19CC..Hα-helixtrans-59.9-50.4178.3-82.857.4000111N206 I209 P222 T223 Y224 R229 L230 I231N206-L227 HydrophobicContact CB-CD2 4.05Å; I209-L227 HydrophobicContact CB-CG 4.02Å; I209-L227 HydrophobicContact CG2-CB 3.88Å; I209-L227 HydrophobicContact CG2-CD1 4.38Å; I209-L227 HydrophobicContact CG2-CG 3.59Å; P222-L227 HydrophobicContact CB-CD1 3.87Å; T223-L227 WeakPolarHBondContact O-CD1 3.27Å; T223-L227 PolarHBondContact O-N 3.46Å; T223-L227 VanDerWaalsContact O-N 3.15Å; Y224-L227 HydrophobicContact CD1-CD2 4.18Å; Y224-L227 HydrophobicContact CE1-CD2 4.47Å; Y224-L227 PolarHBondContact O-N 2.88Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 2.76Å; L227-L230 WeakPolarHBondContact O-CB 3.29Å; L227-L230 PolarHBondContact O-N 2.68Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 2.77Å
228N96.6Very high94.8Very high11 Ų1139.6 Ų39.66%0.05919%0.187CC..Hα-helixtrans-65.2-31.3-178-66.9-16.6000112.6Q15 I16 A19 Y224 I231 G232Q15-N228 WeakPolarHBondContact CB-ND2 3.48Å; I16-N228 WeakPolarHBondContact CG1-OD1 3.41Å; A19-N228 HydrophobicContact CB-CB 3.93Å; A19-N228 WeakPolarHBondContact CB-O 3.36Å; Y224-N228 WeakPolarHBondContact O-CB 3.44Å; Y224-N228 PolarHBondContact O-N 3.41Å; Y224-N228 PolarHBondContact O-ND2 3.48Å; N228-I231 PolarHBondContact O-N 2.69Å; N228-G232 PolarHBondContact O-N 3.18Å
229R95.9Very high95Very high65 Ų6535.4 Ų35.425%0.24517%0.165CC..Hα-helixtrans-66.6-36.8172.6-80.3177.4173.8146.71.4112.5E22 T225 N226 L227 G232 Q233E22-R229 IonicContact OE2-NE 3.79Å; E22-R229 IonicContact OE2-NH2 3.74Å; T225-R229 WeakPolarHBondContact O-CB 3.34Å; T225-R229 VanDerWaalsContact O-CG 3.29Å; T225-R229 WeakPolarHBondContact O-CG 3.46Å; T225-R229 PolarHBondContact O-N 2.85Å; T225-R229 VanDerWaalsContact O-N 3.16Å; N226-R229 PolarHBondContact O-N 2.78Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 2.76Å; R229-G232 PolarHBondContact O-N 2.7Å; R229-Q233 PolarHBondContact O-N 2.95Å
230L96.2Very high95Very high2 Ų234.2 Ų34.21%0.0116%0.159CC..Hα-helixtrans-70.7-40.5175.3-176.151.7000111.2I209 I212 N226 L227 G232 Q233 I234 Y272 V275 M302I209-L230 HydrophobicContact CG2-CB 4.34Å; I209-L230 HydrophobicContact CG2-CD2 3.96Å; I209-L230 HydrophobicContact CG2-CG 4.47Å; I212-L230 HydrophobicContact CG2-CD2 3.77Å; N226-L230 PolarHBondContact O-N 2.95Å; L227-L230 WeakPolarHBondContact O-CB 3.29Å; L227-L230 PolarHBondContact O-N 2.68Å; L230-G232 VanDerWaalsContact C-N 3.27Å; L230-G232 PolarHBondContact O-N 3.31Å; L230-Q233 WeakPolarHBondContact O-CB 3.43Å; L230-Q233 PolarHBondContact O-N 2.83Å; L230-Q233 VanDerWaalsContact O-N 3.11Å; L230-I234 PolarHBondContact O-N 2.71Å; L230-Y272 HydrophobicContact CD1-CD1 4.17Å; L230-Y272 HydrophobicContact CD1-CG 4.48Å; L230-V275 HydrophobicContact CD1-CG2 3.86Å; L230-V275 HydrophobicContact CD2-CG1 4.35Å; L230-V275 HydrophobicContact CD2-CG2 4.28Å; L230-M302 HydrophobicContact CD1-CE 3.84Å; L230-M302 HydrophobicContact CD2-CE 3.97Å; L230-M302 HydrophobicContact CG-CE 3.59Å
231I97.4Very high94.8Very high4 Ų428 Ų282%0.02113%0.131CC..Hα-helixtrans-59.5-41.2170.3-63.6166.2000110.4I16 I171 V204 I209 L227 N228 Q233 I234 V235I16-I231 HydrophobicContact CD1-CD1 4.3Å; I16-I231 HydrophobicContact CG1-CD1 4.26Å; I16-I231 HydrophobicContact CG2-CG2 3.74Å; I171-I231 HydrophobicContact CD1-CD1 3.59Å; V204-I231 HydrophobicContact CG2-CD1 4.15Å; V204-I231 HydrophobicContact CG2-CG1 4.39Å; I209-I231 HydrophobicContact CD1-CD1 3.8Å; I209-I231 HydrophobicContact CD1-CG1 3.65Å; L227-I231 WeakPolarHBondContact O-CG1 3.39Å; L227-I231 PolarHBondContact O-N 2.77Å; N228-I231 PolarHBondContact O-N 2.69Å; I231-Q233 PolarHBondContact O-N 3.25Å; I231-I234 WeakPolarHBondContact O-CA 3.33Å; I231-I234 WeakPolarHBondContact O-CB 3.19Å; I231-I234 PolarHBondContact O-N 2.66Å; I231-V235 HydrophobicContact CG2-CG2 4.04Å; I231-V235 VanDerWaalsContact O-CG2 3.29Å; I231-V235 WeakPolarHBondContact O-CG2 3.39Å; I231-V235 PolarHBondContact O-N 3.39Å
232G96.9Very high94.6Very high1 Ų119.3 Ų19.31%0.0110%0.1CC..Hα-helixtrans-55.4-35.2174.800000113.4L23 N228 R229 L230 V235 S236L23-G232 WeakPolarHBondContact CD2-O 3.48Å; N228-G232 PolarHBondContact O-N 3.18Å; R229-G232 PolarHBondContact O-N 2.7Å; L230-G232 VanDerWaalsContact C-N 3.27Å; L230-G232 PolarHBondContact O-N 3.31Å; G232-V235 PolarHBondContact O-N 3.06Å; G232-S236 VanDerWaalsContact O-CB 3.31Å; G232-S236 WeakPolarHBondContact O-CB 3.49Å; G232-S236 PolarHBondContact O-N 2.95Å
233Q96.9Very high94.3Very high7 Ų718.8 Ų18.83%0.03310%0.096CC..Hα-helixtrans-68.6-38.7174.4-65.5-61.3-31.200112.9R229 L230 I231 S237 Y272 T361 L368R229-Q233 PolarHBondContact O-N 2.95Å; L230-Q233 WeakPolarHBondContact O-CB 3.43Å; L230-Q233 PolarHBondContact O-N 2.83Å; L230-Q233 VanDerWaalsContact O-N 3.11Å; I231-Q233 PolarHBondContact O-N 3.25Å; Q233-S237 WeakPolarHBondContact O-CB 3.33Å; Q233-S237 PolarHBondContact O-N 3.41Å; Q233-S237 PolarHBondContact O-OG 2.98Å; Q233-Y272 HydrophobicContact CB-CD2 4.3Å; Q233-Y272 HydrophobicContact CB-CE1 4.2Å; Q233-Y272 HydrophobicContact CB-CE2 3.85Å; Q233-Y272 PolarHBondContact OE1-OH 3.33Å; Q233-T361 PolarHBondContact NE2-O 3.42Å; Q233-L368 HydrophobicContact CG-CD1 3.73Å
234I96.1Very high94Very high2 Ų216.2 Ų16.21%0.018%0.079CC..Hα-helixtrans-59.8-55.5172.2-63.1-65.4000109L230 I231 S236 S237 I238 A270 Y272 M302 C376L230-I234 PolarHBondContact O-N 2.71Å; I231-I234 WeakPolarHBondContact O-CA 3.33Å; I231-I234 WeakPolarHBondContact O-CB 3.19Å; I231-I234 PolarHBondContact O-N 2.66Å; I234-S236 VanDerWaalsContact C-N 3.32Å; I234-S236 PolarHBondContact O-N 3.1Å; I234-S237 WeakPolarHBondContact O-CA 3.47Å; I234-S237 WeakPolarHBondContact O-CB 3.28Å; I234-S237 PolarHBondContact O-N 3.26Å; I234-I238 HydrophobicContact CG2-CD1 3.97Å; I234-I238 HydrophobicContact CG2-CG1 4.32Å; I234-I238 WeakPolarHBondContact O-CG1 2.98Å; I234-I238 PolarHBondContact O-N 3.41Å; I234-A270 HydrophobicContact CD1-CB 4.08Å; I234-A270 HydrophobicContact CG1-CB 4.34Å; I234-A270 HydrophobicContact CG2-CB 3.99Å; I234-Y272 HydrophobicContact CD1-CD2 4.01Å; I234-Y272 HydrophobicContact CD1-CG 4.29Å; I234-M302 HydrophobicContact CD1-CE 3.68Å; I234-M302 HydrophobicContact CD1-SD 3.86Å; I234-M302 HydrophobicContact CG1-CE 3.73Å; I234-M302 HydrophobicContact CG1-SD 3.59Å; I234-M302 VanDerWaalsContact CG1-SD 3.59Å; I234-C376 HydrophobicContact CD1-CB 4.42Å; I234-C376 VanDerWaalsContact CD1-SG 3.51Å
235V96.2Very high93.3Very high0 Ų017.9 Ų17.90%09%0.094CC..Hα-helixtrans-57.6-45.7-177.6178.50000110.8C20 Y24 F138 F169 I231 G232 S237 I238 T239C20-V235 HydrophobicContact CB-CG1 4.46Å; Y24-V235 WeakPolarHBondContact OH-CG1 3.41Å; F138-V235 HydrophobicContact CE1-CB 4.45Å; F138-V235 HydrophobicContact CE1-CG1 3.83Å; F138-V235 HydrophobicContact CE1-CG2 3.72Å; F138-V235 HydrophobicContact CZ-CG1 3.81Å; F169-V235 HydrophobicContact CD1-CG2 3.59Å; F169-V235 HydrophobicContact CE1-CB 4.14Å; F169-V235 HydrophobicContact CE1-CG1 4.32Å; F169-V235 HydrophobicContact CE1-CG2 3.56Å; F169-V235 HydrophobicContact CG-CG2 4.21Å; F169-V235 HydrophobicContact CZ-CB 4.47Å; F169-V235 HydrophobicContact CZ-CG1 4.17Å; F169-V235 HydrophobicContact CZ-CG2 4.22Å; I231-V235 HydrophobicContact CG2-CG2 4.04Å; I231-V235 VanDerWaalsContact O-CG2 3.29Å; I231-V235 WeakPolarHBondContact O-CG2 3.39Å; I231-V235 PolarHBondContact O-N 3.39Å; G232-V235 PolarHBondContact O-N 3.06Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 3.04Å; V235-I238 PolarHBondContact O-N 3.34Å; V235-T239 WeakPolarHBondContact O-CG2 3.43Å; V235-T239 PolarHBondContact O-N 2.74Å; V235-T239 PolarHBondContact O-OG1 2.79Å; V235-T239 VanDerWaalsContact O-OG1 3.07Å
236S95.1Very high92.6Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-60.4-38.1174.9172.30000112.7E27 G232 I234 A240 R243 R320E27-S236 VanDerWaalsContact CD-OG 3.26Å; E27-S236 PolarHBondContact OE1-OG 2.77Å; E27-S236 PolarHBondContact OE2-OG 2.9Å; E27-S236 VanDerWaalsContact OE2-OG 3.1Å; G232-S236 VanDerWaalsContact O-CB 3.31Å; G232-S236 WeakPolarHBondContact O-CB 3.49Å; G232-S236 PolarHBondContact O-N 2.95Å; I234-S236 VanDerWaalsContact C-N 3.32Å; I234-S236 PolarHBondContact O-N 3.1Å; S236-A240 WeakPolarHBondContact O-CA 3.38Å; S236-A240 WeakPolarHBondContact O-CB 3.41Å; S236-A240 PolarHBondContact O-N 3.33Å; S236-R243 PolarHBondContact O-NH2 3.04Å; S236-R243 VanDerWaalsContact O-NH2 3.16Å; S236-R243 PolarHBondContact OG-NH2 2.62Å; S236-R320 PolarHBondContact O-NH1 3.48Å; S236-R320 PolarHBondContact OG-NH1 2.88Å
237S94.8Very high91.7Very high3 Ų315.6 Ų15.62%0.0219%0.087CC..Hα-helixtrans-69-40.6178.3-57.90000112.2Q233 I234 V235 A240Q233-S237 WeakPolarHBondContact O-CB 3.33Å; Q233-S237 PolarHBondContact O-N 3.41Å; Q233-S237 PolarHBondContact O-OG 2.98Å; I234-S237 WeakPolarHBondContact O-CA 3.47Å; I234-S237 WeakPolarHBondContact O-CB 3.28Å; I234-S237 PolarHBondContact O-N 3.26Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 3.04Å; S237-A240 WeakPolarHBondContact O-CB 3.46Å; S237-A240 PolarHBondContact O-N 3.17Å
238I93.4Very high90.7Very high1 Ų120.4 Ų20.41%0.00511%0.113CC..Hα-helixtrans-63.9-42.9175.7-61.6-171.4000111.2F169 F202 I234 V235 F255 L318 L378F169-I238 HydrophobicContact CE1-CD1 3.58Å; F169-I238 HydrophobicContact CE1-CG1 4.47Å; F169-I238 HydrophobicContact CZ-CB 4.36Å; F169-I238 HydrophobicContact CZ-CD1 4.03Å; F169-I238 HydrophobicContact CZ-CG2 4.23Å; F202-I238 HydrophobicContact CD1-CD1 4.24Å; F202-I238 HydrophobicContact CD2-CD1 3.72Å; F202-I238 HydrophobicContact CE1-CD1 4.34Å; F202-I238 HydrophobicContact CE2-CD1 3.81Å; F202-I238 HydrophobicContact CE2-CG2 4.16Å; F202-I238 HydrophobicContact CG-CD1 3.94Å; F202-I238 HydrophobicContact CZ-CD1 4.12Å; F202-I238 HydrophobicContact CZ-CG2 4.43Å; I234-I238 HydrophobicContact CG2-CD1 3.97Å; I234-I238 HydrophobicContact CG2-CG1 4.32Å; I234-I238 WeakPolarHBondContact O-CG1 2.98Å; I234-I238 PolarHBondContact O-N 3.41Å; V235-I238 PolarHBondContact O-N 3.34Å; I238-F255 HydrophobicContact CG2-CD2 4.33Å; I238-F255 HydrophobicContact CG2-CE2 3.61Å; I238-F255 HydrophobicContact CG2-CZ 3.74Å; I238-L318 HydrophobicContact CB-CD1 4.42Å; I238-L318 HydrophobicContact CG1-CD1 3.98Å; I238-L378 HydrophobicContact CD1-CD1 3.77Å; I238-L378 HydrophobicContact CD1-CD2 3.61Å; I238-L378 HydrophobicContact CD1-CG 4.24Å; I238-L378 HydrophobicContact CG1-CD1 3.97Å; I238-L378 HydrophobicContact CG1-CD2 4.24Å
239T92.9Very high89.6Confident0 Ų022.3 Ų22.30%012%0.123CC..Hα-helixtrans-88.3-3.6-176.865.80000114Y24 F52 L136 V235 S241 L242 R243Y24-T239 WeakPolarHBondContact OH-CB 3.04Å; Y24-T239 VanDerWaalsContact OH-CG2 3.23Å; Y24-T239 WeakPolarHBondContact OH-CG2 3.28Å; Y24-T239 PolarHBondContact OH-OG1 2.98Å; F52-T239 HydrophobicContact CE1-CG2 4.41Å; F52-T239 HydrophobicContact CE2-CG2 4.25Å; F52-T239 HydrophobicContact CZ-CG2 3.64Å; L136-T239 HydrophobicContact CD1-CG2 3.76Å; V235-T239 WeakPolarHBondContact O-CG2 3.43Å; V235-T239 PolarHBondContact O-N 2.74Å; V235-T239 PolarHBondContact O-OG1 2.79Å; V235-T239 VanDerWaalsContact O-OG1 3.07Å; T239-S241 VanDerWaalsContact C-N 3.32Å; T239-S241 PolarHBondContact O-N 2.72Å; T239-L242 WeakPolarHBondContact O-CB 3.43Å; T239-L242 PolarHBondContact O-N 2.81Å; T239-L242 VanDerWaalsContact O-N 3.11Å; T239-R243 WeakPolarHBondContact O-CG 3.41Å; T239-R243 PolarHBondContact O-N 2.79Å; T239-R243 PolarHBondContact O-NE 2.92Å; T239-R243 PolarHBondContact OG1-NE 3.15Å; T239-R243 VanDerWaalsContact OG1-NE 3.08Å; T239-R243 PolarHBondContact OG1-NH2 3.19Å
240A91.9Very high88.6Confident2 Ų219.2 Ų19.22%0.01711%0.111CC..Hα-helixtrans-57.3-43.9-175.500000112.4S236 S237 L242 R243 F244 R320 N356S236-A240 WeakPolarHBondContact O-CA 3.38Å; S236-A240 WeakPolarHBondContact O-CB 3.41Å; S236-A240 PolarHBondContact O-N 3.33Å; S237-A240 WeakPolarHBondContact O-CB 3.46Å; S237-A240 PolarHBondContact O-N 3.17Å; A240-L242 PolarHBondContact O-N 3.28Å; A240-R243 CarbonylContact O-C 3.38Å; A240-R243 PolarHBondContact O-N 2.79Å; A240-F244 PolarHBondContact O-N 2.79Å; A240-R320 VanDerWaalsContact CB-NH1 3.26Å; A240-N356 HydrophobicContact CB-CB 4.21Å; A240-N356 PolarHBondContact O-ND2 2.84Å
241S88.7Confident87.8Confident14 Ų1420.5 Ų20.510%0.09812%0.118CC..Hα-helixtrans-66.5-16.7-17950.80000114.1T239 N249 V250T239-S241 VanDerWaalsContact C-N 3.32Å; T239-S241 PolarHBondContact O-N 2.72Å; S241-N249 PolarHBondContact O-ND2 3.29Å; S241-V250 VanDerWaalsContact CB-O 3.23Å; S241-V250 WeakPolarHBondContact CB-O 3.26Å; S241-V250 PolarHBondContact OG-O 3.21Å
242L87.7Confident87.1Confident12 Ų1220.4 Ų20.46%0.06312%0.118CC..Hα-helixtrans-90.8-15.4173.6-56.4177.3000112.7T51 F52 T239 A240 L252T51-L242 HydrophobicContact CG2-CB 3.7Å; T51-L242 WeakPolarHBondContact CG2-O 3.16Å; T51-L242 PolarHBondContact OG1-O 2.82Å; F52-L242 HydrophobicContact CE2-CB 4.36Å; F52-L242 HydrophobicContact CE2-CD1 4.4Å; F52-L242 HydrophobicContact CZ-CD1 4.23Å; T239-L242 WeakPolarHBondContact O-CB 3.43Å; T239-L242 PolarHBondContact O-N 2.81Å; T239-L242 VanDerWaalsContact O-N 3.11Å; A240-L242 PolarHBondContact O-N 3.28Å; L242-L252 HydrophobicContact CD1-CD1 4.39Å; L242-L252 HydrophobicContact CD1-CD2 3.64Å; L242-L252 HydrophobicContact CD1-CG 3.89Å
243R89.2Confident86.5Confident0 Ų023.6 Ų23.60%014%0.137CC..Hα-helixtrans-121.4-12.5-170.1-64.7-176-58.6116.9-4.3114E27 H28 S48 T51 F52 S236 T239 A240E27-R243 IonicContact OE2-CZ 2.92Å; E27-R243 IonicContact OE2-NH1 3.61Å; E27-R243 PolarHBondContact OE2-NH1 3.35Å; E27-R243 IonicContact OE2-NH2 3.99Å; E27-R243 PolarHBondContact OE2-NH2 3.46Å; H28-R243 PolarHBondContact NE2-NH1 3.06Å; H28-R243 VanDerWaalsContact NE2-NH1 3.14Å; S48-R243 WeakPolarHBondContact CB-O 3.31Å; S48-R243 PolarHBondContact OG-O 3.1Å; T51-R243 HydrophobicContact CG2-CG 4.39Å; F52-R243 HydrophobicContact CD2-CG 3.49Å; F52-R243 VanDerWaalsContact CD2-CG 3.49Å; F52-R243 HydrophobicContact CE2-CG 3.55Å; S236-R243 PolarHBondContact O-NH2 3.04Å; S236-R243 VanDerWaalsContact O-NH2 3.16Å; S236-R243 PolarHBondContact OG-NH2 2.62Å; T239-R243 WeakPolarHBondContact O-CG 3.41Å; T239-R243 PolarHBondContact O-N 2.79Å; T239-R243 PolarHBondContact O-NE 2.92Å; T239-R243 PolarHBondContact OG1-NE 3.15Å; T239-R243 VanDerWaalsContact OG1-NE 3.08Å; T239-R243 PolarHBondContact OG1-NH2 3.19Å; A240-R243 CarbonylContact O-C 3.38Å; A240-R243 PolarHBondContact O-N 2.79Å
244F87.7Confident85.9Confident20 Ų2025.5 Ų25.59%0.08815%0.146CC..SBendtrans-147.4150.1-178.9-57-63.7000109.6E27 H28 A240 N249 N356 Q358E27-F244 HydrophobicContact CB-CE2 4.41Å; E27-F244 HydrophobicContact CB-CZ 3.87Å; H28-F244 AromaticContact CE1-CE1 3.45Å; H28-F244 VanDerWaalsContact CE1-CE1 3.45Å; H28-F244 WeakPolarHBondContact CE1-CE1 3.39Å; H28-F244 AromaticContact CE1-CZ 3.46Å; H28-F244 VanDerWaalsContact CE1-CZ 3.46Å; H28-F244 WeakPolarHBondContact CE1-CZ 3.23Å; H28-F244 AromaticContact ND1-CE1 3.75Å; H28-F244 AromaticContact ND1-CZ 3.96Å; H28-F244 AromaticContact NE2-CZ 3.77Å; A240-F244 PolarHBondContact O-N 2.79Å; F244-N249 PolarHBondContact O-ND2 2.82Å; F244-N356 WeakPolarHBondContact CB-ND2 3.49Å; F244-N356 PolarHBondContact O-ND2 2.96Å; F244-Q358 HydrophobicContact CB-CB 4.44Å; F244-Q358 HydrophobicContact CD2-CB 4.23Å; F244-Q358 HydrophobicContact CD2-CG 4.38Å; F244-Q358 HydrophobicContact CE2-CG 4.42Å; F244-Q358 HydrophobicContact CG-CB 4.18Å; F244-Q358 HydrophobicContact CG-CG 4.49Å
245D80.8Confident85.5Confident133 Ų13325.5 Ų25.571%0.71115%0.146SC*.  trans-65.7146.5173.4-72.4-28.7000111.6N356D245-N356 PolarHBondContact O-ND2 3.25Å
246G79.3Confident85Confident22 Ų2228.7 Ų28.723%0.22716%0.161CC..EExtended strand (participates in β ladder)trans-165165.9-177.300000111.9N249 I355G246-N249 WeakPolarHBondContact CA-OD1 3.43Å; G246-I355 CarbonylContact C-O 3.59Å; G246-I355 WeakPolarHBondContact CA-O 3.36Å
247A75.6Confident84.7Confident23 Ų2333.9 Ų33.919%0.1919%0.193CC..EExtended strand (participates in β ladder)trans-85.4135.7165.500000109I355 Y357A247-I355 HydrophobicContact CB-CB 4.41Å; A247-I355 PolarHBondContact N-O 3.3Å; A247-I355 CarbonylContact O-C 3.55Å; A247-I355 PolarHBondContact O-N 3.17Å; A247-Y357 HydrophobicContact CB-CE1 4.5Å; A247-Y357 WeakPolarHBondContact CB-OH 3.48Å
248L75.9Confident84.3Confident107 Ų10736.6 Ų36.656%0.5621%0.207SC*.SBendtrans61.643.9178.1-49.1167.8000112.7V250 V353 G354L248-V250 PolarHBondContact O-N 2.86Å; L248-V353 WeakPolarHBondContact CB-O 3.21Å; L248-V353 HydrophobicContact CD1-CB 4.4Å; L248-V353 HydrophobicContact CD1-CG1 4.25Å; L248-G354 WeakPolarHBondContact O-CA 3.39Å
249N72.6Confident84.2Confident50 Ų5036.6 Ų36.627%0.26721%0.207SC..PPolyproline II helixtrans-56.5126.3176.2-82.7-10.4000111S241 F244 G246S241-N249 PolarHBondContact O-ND2 3.29Å; F244-N249 PolarHBondContact O-ND2 2.82Å; G246-N249 WeakPolarHBondContact CA-OD1 3.43Å
250V76.2Confident84.2Confident1 Ų137.5 Ų37.51%0.00621%0.212CC..PPolyproline II helixtrans-92.4128.6177.7-176.50000108.5S241 L248 E254 F255 L318 K352S241-V250 VanDerWaalsContact CB-O 3.23Å; S241-V250 WeakPolarHBondContact CB-O 3.26Å; S241-V250 PolarHBondContact OG-O 3.21Å; L248-V250 PolarHBondContact O-N 2.86Å; V250-E254 HydrophobicContact CG1-CB 3.67Å; V250-F255 HydrophobicContact CB-CZ 4.28Å; V250-F255 HydrophobicContact CG1-CD1 4.07Å; V250-F255 HydrophobicContact CG1-CD2 4.39Å; V250-F255 HydrophobicContact CG1-CE1 3.8Å; V250-F255 HydrophobicContact CG1-CE2 4.13Å; V250-F255 HydrophobicContact CG1-CG 4.35Å; V250-F255 HydrophobicContact CG1-CZ 3.82Å; V250-L318 HydrophobicContact CG2-CD2 4.19Å; V250-K352 HydrophobicContact CG2-CG 4.48Å
251D79.8Confident84.1Confident29 Ų2939.8 Ų39.816%0.15523%0.227CC..PPolyproline II helixtrans-89.7173171.672.127.8000112.8T253 E254 F255D251-T253 VanDerWaalsContact C-N 3.31Å; D251-T253 VanDerWaalsContact CG-OG1 3.23Å; D251-T253 PolarHBondContact O-N 3.33Å; D251-T253 PolarHBondContact OD1-N 2.66Å; D251-T253 VanDerWaalsContact OD1-N 3.1Å; D251-T253 PolarHBondContact OD1-OG1 2.77Å; D251-T253 PolarHBondContact OD2-OG1 3.28Å; D251-E254 WeakPolarHBondContact O-CB 3.48Å; D251-E254 PolarHBondContact O-N 3.15Å; D251-E254 WeakPolarHBondContact OD1-CB 3.38Å; D251-E254 VanDerWaalsContact OD1-CG 3.31Å; D251-E254 WeakPolarHBondContact OD1-CG 3.13Å; D251-E254 PolarHBondContact OD1-N 3.16Å; D251-F255 PolarHBondContact O-N 3.24Å
252L82Confident84.2Confident2 Ų244.6 Ų44.61%0.0124%0.244CC..Hα-helixtrans-62.6-38.6-178.2-65.2-167.7000112.8C4 Q133 L136 L167 L242 E254 F255C4-L252 VanDerWaalsContact SG-CD1 3.57Å; Q133-L252 HydrophobicContact CB-CD1 4.36Å; L136-L252 HydrophobicContact CD2-CD1 4.18Å; L136-L252 HydrophobicContact CD2-CD2 4.45Å; L167-L252 HydrophobicContact CD1-CB 4.02Å; L167-L252 HydrophobicContact CD1-CD1 4.18Å; L167-L252 HydrophobicContact CD1-CD2 3.56Å; L167-L252 HydrophobicContact CD1-CG 4.11Å; L242-L252 HydrophobicContact CD1-CD1 4.39Å; L242-L252 HydrophobicContact CD1-CD2 3.64Å; L242-L252 HydrophobicContact CD1-CG 3.89Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 2.97Å; L252-F255 HydrophobicContact CD2-CD2 4.35Å; L252-F255 HydrophobicContact CD2-CE2 4.39Å; L252-F255 PolarHBondContact O-N 3.33Å
253T83.4Confident84.4Confident67 Ų6749.3 Ų49.341%0.41128%0.275SS..Hα-helixtrans-69.5-27.7178.540.20000112.8D251 F255 Q256 T257D251-T253 VanDerWaalsContact C-N 3.31Å; D251-T253 VanDerWaalsContact CG-OG1 3.23Å; D251-T253 PolarHBondContact O-N 3.33Å; D251-T253 PolarHBondContact OD1-N 2.66Å; D251-T253 VanDerWaalsContact OD1-N 3.1Å; D251-T253 PolarHBondContact OD1-OG1 2.77Å; D251-T253 PolarHBondContact OD2-OG1 3.28Å; T253-F255 VanDerWaalsContact C-N 3.33Å; T253-Q256 PolarHBondContact O-N 2.75Å; T253-T257 PolarHBondContact O-N 3.02Å; T253-T257 PolarHBondContact O-OG1 3.29Å
254E85.8Confident84.6Confident48 Ų4852.7 Ų52.722%0.22429%0.288CS..Hα-helixtrans-70-28.6174.1-82.1-173.5-124.500111.9V250 D251 L252 N258 K352V250-E254 HydrophobicContact CG1-CB 3.67Å; D251-E254 WeakPolarHBondContact O-CB 3.48Å; D251-E254 PolarHBondContact O-N 3.15Å; D251-E254 WeakPolarHBondContact OD1-CB 3.38Å; D251-E254 VanDerWaalsContact OD1-CG 3.31Å; D251-E254 WeakPolarHBondContact OD1-CG 3.13Å; D251-E254 PolarHBondContact OD1-N 3.16Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 2.97Å; E254-N258 WeakPolarHBondContact O-CB 3.35Å; E254-N258 VanDerWaalsContact O-CG 3.23Å; E254-N258 PolarHBondContact O-N 2.52Å; E254-N258 PolarHBondContact O-ND2 3.38Å; E254-K352 WeakPolarHBondContact OE2-CE 3.44Å; E254-K352 IonicContact OE2-NZ 2.92Å; E254-K352 PolarHBondContact OE2-NZ 3.2Å
255F86.9Confident85Confident1 Ų151.9 Ų51.90%0.00429%0.285CS..Hα-helixtrans-62.9-46.7171.8-71-61.3000110.8F202 I238 V250 D251 L252 T253 L259 L318 L378F202-F255 HydrophobicContact CZ-CB 4.28Å; F202-F255 HydrophobicContact CZ-CD1 4.48Å; F202-F255 HydrophobicContact CZ-CD2 4.49Å; F202-F255 HydrophobicContact CZ-CG 4.18Å; I238-F255 HydrophobicContact CG2-CD2 4.33Å; I238-F255 HydrophobicContact CG2-CE2 3.61Å; I238-F255 HydrophobicContact CG2-CZ 3.74Å; V250-F255 HydrophobicContact CB-CZ 4.28Å; V250-F255 HydrophobicContact CG1-CD1 4.07Å; V250-F255 HydrophobicContact CG1-CD2 4.39Å; V250-F255 HydrophobicContact CG1-CE1 3.8Å; V250-F255 HydrophobicContact CG1-CE2 4.13Å; V250-F255 HydrophobicContact CG1-CG 4.35Å; V250-F255 HydrophobicContact CG1-CZ 3.82Å; D251-F255 PolarHBondContact O-N 3.24Å; L252-F255 HydrophobicContact CD2-CD2 4.35Å; L252-F255 HydrophobicContact CD2-CE2 4.39Å; L252-F255 PolarHBondContact O-N 3.33Å; T253-F255 VanDerWaalsContact C-N 3.33Å; F255-L259 HydrophobicContact CB-CD1 4.37Å; F255-L259 HydrophobicContact CD1-CD1 3.88Å; F255-L259 WeakPolarHBondContact O-CB 3.49Å; F255-L259 PolarHBondContact O-N 3.15Å; F255-L318 HydrophobicContact CE1-CD1 4.02Å; F255-L318 HydrophobicContact CE1-CD2 4.19Å; F255-L318 HydrophobicContact CZ-CD1 4.03Å; F255-L318 HydrophobicContact CZ-CD2 4.31Å; F255-L378 HydrophobicContact CD1-CD1 3.86Å; F255-L378 HydrophobicContact CE1-CD1 3.62Å; F255-L378 HydrophobicContact CZ-CD1 4.44Å
256Q86.3Confident85.7Confident67 Ų6745.7 Ų45.731%0.31325%0.251SS..Hα-helixtrans-58.4-53.8174.5-174.9178.12500110.7D199 T253 N258 V260D199-Q256 HydrophobicContact CB-CG 4.44Å; D199-Q256 PolarHBondContact OD1-NE2 3.49Å; T253-Q256 PolarHBondContact O-N 2.75Å; Q256-N258 VanDerWaalsContact C-N 3.31Å; Q256-N258 PolarHBondContact O-N 3.37Å; Q256-V260 WeakPolarHBondContact O-CB 3.37Å; Q256-V260 PolarHBondContact O-N 2.82Å
257T87.3Confident86.6Confident110 Ų11044.6 Ų44.668%0.67524%0.24SC*.Hα-helixtrans-63.4-34-175.2-50.90000113.4T253T253-T257 PolarHBondContact O-N 3.02Å; T253-T257 PolarHBondContact O-OG1 3.29Å
258N87.9Confident87.5Confident60 Ų6043.5 Ų43.532%0.32123%0.231SC..Hα-helixtrans-98.1-24.6-173.9-61.9-56.5000114E254 Q256 A314 K352E254-N258 WeakPolarHBondContact O-CB 3.35Å; E254-N258 VanDerWaalsContact O-CG 3.23Å; E254-N258 PolarHBondContact O-N 2.52Å; E254-N258 PolarHBondContact O-ND2 3.38Å; Q256-N258 VanDerWaalsContact C-N 3.31Å; Q256-N258 PolarHBondContact O-N 3.37Å; N258-A314 VanDerWaalsContact O-CB 3.26Å; N258-A314 WeakPolarHBondContact O-CB 3.39Å; N258-K352 HydrophobicContact CB-CB 4.29Å; N258-K352 HydrophobicContact CB-CG 4.36Å
259L90.9Very high88.5Confident1 Ų138.4 Ų38.41%0.00521%0.205CC..Hα-helixtrans-103.9-19.9-178.5-66.3170.3000113.3F202 F255 P261 P268 A314 C316 L378 N380F202-L259 HydrophobicContact CE1-CD1 4.15Å; F255-L259 HydrophobicContact CB-CD1 4.37Å; F255-L259 HydrophobicContact CD1-CD1 3.88Å; F255-L259 WeakPolarHBondContact O-CB 3.49Å; F255-L259 PolarHBondContact O-N 3.15Å; L259-P261 VanDerWaalsContact O-CD 3.23Å; L259-P261 WeakPolarHBondContact O-CD 3.34Å; L259-P268 HydrophobicContact CB-CG 3.96Å; L259-P268 HydrophobicContact CD1-CB 4.34Å; L259-P268 HydrophobicContact CD1-CG 4.02Å; L259-P268 HydrophobicContact CG-CG 4.49Å; L259-A314 HydrophobicContact CD2-CB 4.15Å; L259-C316 HydrophobicContact CD1-CB 4.18Å; L259-C316 HydrophobicContact CD2-CB 3.73Å; L259-C316 HydrophobicContact CG-CB 4.15Å; L259-L378 HydrophobicContact CD1-CB 3.79Å; L259-L378 HydrophobicContact CD1-CD1 3.97Å; L259-L378 HydrophobicContact CD2-CB 4.39Å; L259-L378 WeakPolarHBondContact CD2-O 3.47Å; L259-N380 WeakPolarHBondContact O-CB 3.47Å; L259-N380 PolarHBondContact O-ND2 3.24Å
260V92.1Very high89.7Confident19 Ų1936 Ų3612%0.11519%0.192CC..  trans-111.493.3-172.4-175.20000109.5C200 Q256 Y262 H266C200-V260 HydrophobicContact CB-CG2 4.4Å; Q256-V260 WeakPolarHBondContact O-CB 3.37Å; Q256-V260 PolarHBondContact O-N 2.82Å; V260-Y262 VanDerWaalsContact C-N 3.35Å; V260-Y262 WeakPolarHBondContact CG1-O 3.1Å; V260-H266 HydrophobicContact CB-CB 4.36Å; V260-H266 HydrophobicContact CG1-CB 3.65Å; V260-H266 HydrophobicContact CG2-CB 3.75Å
261P90.1Very high90.7Very high50 Ų5036 Ų3633%0.32519%0.192SC..SBendtrans-70.3-33179.727.4-33.5000112.5L259 I265 M313 W346L259-P261 VanDerWaalsContact O-CD 3.23Å; L259-P261 WeakPolarHBondContact O-CD 3.34Å; P261-I265 HydrophobicContact CG-CG2 4.42Å; P261-M313 HydrophobicContact CG-SD 4.12Å; P261-W346 HydrophobicContact CB-CH2 3.77Å; P261-W346 HydrophobicContact CB-CZ3 4.1Å; P261-W346 HydrophobicContact CG-CH2 4.09Å
262Y91.8Very high91.5Very high114 Ų11434.9 Ų34.945%0.44719%0.185SC..SBendtrans-132.4142178.4-61-83.3000109.3V260 R264 I265 W346 V435V260-Y262 VanDerWaalsContact C-N 3.35Å; V260-Y262 WeakPolarHBondContact CG1-O 3.1Å; Y262-R264 PolarHBondContact O-N 3.5Å; Y262-I265 HydrophobicContact CD2-CD1 3.89Å; Y262-I265 HydrophobicContact CG-CD1 4.39Å; Y262-I265 PolarHBondContact O-N 3.15Å; Y262-W346 HydrophobicContact CE2-CH2 4.44Å; Y262-V435 HydrophobicContact CD2-CG1 3.86Å; Y262-V435 HydrophobicContact CE2-CG1 3.52Å
263P91.4Very high92.2Very high111 Ų11134.9 Ų34.972%0.72119%0.185SC*.THydrogen-bonded Turntrans-52.5-34.3-174.2-30.436000115.3H266P263-H266 PolarHBondContact O-ND1 2.83Å
264R94Very high92.8Very high72 Ų7232.4 Ų32.427%0.27217%0.17SC..THydrogen-bonded Turntrans-80.5-23.7178.5-66.617460.684.2-0.5113.5L195 Y262 H266 D424 L428 D431L195-R264 HydrophobicContact CD2-CB 4.09Å; L195-R264 HydrophobicContact CD2-CG 4.44Å; L195-R264 WeakPolarHBondContact CD2-O 3.27Å; Y262-R264 PolarHBondContact O-N 3.5Å; R264-H266 VanDerWaalsContact C-N 3.31Å; R264-H266 PolarHBondContact O-N 3.46Å; R264-H266 VanDerWaalsContact O-N 3.14Å; R264-D424 IonicContact CZ-OD1 2.82Å; R264-D424 IonicContact NH1-OD1 2.83Å; R264-D424 PolarHBondContact NH1-OD1 2.92Å; R264-D424 PolarHBondContact NH2-O 2.9Å; R264-D424 IonicContact NH2-OD1 3.67Å; R264-D424 PolarHBondContact NH2-OD1 3.42Å; R264-L428 HydrophobicContact CB-CD1 4.16Å; R264-L428 VanDerWaalsContact O-CD1 3.27Å; R264-L428 WeakPolarHBondContact O-CD1 3.15Å; R264-D431 WeakPolarHBondContact CD-OD2 3.45Å; R264-D431 IonicContact CZ-OD2 3.17Å; R264-D431 IonicContact NE-OD2 2.71Å; R264-D431 PolarHBondContact NE-OD2 2.83Å; R264-D431 IonicContact NH2-OD2 2.73Å
265I94.8Very high93.2Very high3 Ų330.8 Ų30.82%0.01516%0.164CC..  trans-93.764.4-175.1-54.9-172.3000108.8P261 Y262 M313 N380 D431 Y432 V435P261-I265 HydrophobicContact CG-CG2 4.42Å; Y262-I265 HydrophobicContact CD2-CD1 3.89Å; Y262-I265 HydrophobicContact CG-CD1 4.39Å; Y262-I265 PolarHBondContact O-N 3.15Å; I265-M313 HydrophobicContact CG2-CE 3.7Å; I265-M313 HydrophobicContact CG2-SD 3.99Å; I265-N380 PolarHBondContact O-ND2 3.46Å; I265-D431 HydrophobicContact CD1-CB 4.11Å; I265-D431 HydrophobicContact CG1-CB 4.26Å; I265-Y432 HydrophobicContact CG2-CD1 3.94Å; I265-Y432 HydrophobicContact CG2-CE1 3.34Å; I265-Y432 HydrophobicContact CG2-CE2 4.28Å; I265-V435 HydrophobicContact CD1-CB 4.38Å; I265-V435 HydrophobicContact CD1-CG1 3.62Å; I265-V435 HydrophobicContact CD1-CG2 3.9Å
266H95.7Very high93.5Very high2 Ų231 Ų311%0.00917%0.165CC..  trans-119.831-170.963.5-133000114.8T194 A201 V260 P263 R264 P268T194-H266 PolarHBondContact O-CE1 2.91Å; T194-H266 PolarHBondContact O-NE2 3.09Å; A201-H266 PolarHBondContact N-O 3.31Å; V260-H266 HydrophobicContact CB-CB 4.36Å; V260-H266 HydrophobicContact CG1-CB 3.65Å; V260-H266 HydrophobicContact CG2-CB 3.75Å; P263-H266 PolarHBondContact O-ND1 2.83Å; R264-H266 VanDerWaalsContact C-N 3.31Å; R264-H266 PolarHBondContact O-N 3.46Å; R264-H266 VanDerWaalsContact O-N 3.14Å; H266-P268 WeakPolarHBondContact O-CD 3.22Å
267F97.2Very high93.7Very high0 Ų028.2 Ų28.20%015%0.153CC..  trans-112.866.1-176.3-60-90.1000113.4F141 T191 T194 L195 A201 M203 I384 W388 L428F141-F267 HydrophobicContact CZ-CE1 4.41Å; T191-F267 HydrophobicContact CG2-CZ 4.11Å; T194-F267 HydrophobicContact CG2-CE1 3.72Å; T194-F267 HydrophobicContact CG2-CZ 3.97Å; L195-F267 HydrophobicContact CD2-CE2 3.77Å; L195-F267 HydrophobicContact CD2-CZ 4.1Å; L195-F267 HydrophobicContact CG-CE2 4.44Å; L195-F267 HydrophobicContact CG-CZ 4.31Å; A201-F267 HydrophobicContact CB-CD1 3.83Å; A201-F267 HydrophobicContact CB-CE1 4.08Å; A201-F267 CarbonylContact O-C 3.54Å; A201-F267 WeakPolarHBondContact O-CA 3.37Å; M203-F267 HydrophobicContact CE-CD1 4.1Å; M203-F267 HydrophobicContact CG-CB 3.95Å; M203-F267 HydrophobicContact CG-CD1 4.21Å; M203-F267 HydrophobicContact SD-CD1 3.8Å; F267-I384 HydrophobicContact CB-CD1 3.55Å; F267-I384 WeakPolarHBondContact O-CD1 3.1Å; F267-W388 HydrophobicContact CB-CH2 4.41Å; F267-W388 HydrophobicContact CB-CZ2 3.92Å; F267-W388 AromaticContact CD1-CH2 3.68Å; F267-W388 HydrophobicContact CD1-CH2 3.68Å; F267-W388 AromaticContact CD1-CZ2 3.96Å; F267-W388 HydrophobicContact CD1-CZ2 3.96Å; F267-W388 HydrophobicContact CD2-CH2 4.32Å; F267-W388 AromaticContact CD2-CZ2 3.89Å; F267-W388 HydrophobicContact CD2-CZ2 3.89Å; F267-W388 AromaticContact CE1-CH2 3.93Å; F267-W388 HydrophobicContact CE1-CH2 3.93Å; F267-W388 HydrophobicContact CE1-CZ2 4.44Å; F267-W388 HydrophobicContact CE2-CZ2 4.4Å; F267-W388 AromaticContact CG-CH2 3.89Å; F267-W388 HydrophobicContact CG-CH2 3.89Å; F267-W388 AromaticContact CG-CZ2 3.65Å; F267-W388 HydrophobicContact CG-CZ2 3.65Å; F267-W388 HydrophobicContact CZ-CH2 4.36Å; F267-L428 HydrophobicContact CD2-CD2 4.27Å; F267-L428 HydrophobicContact CE2-CD2 3.74Å; F267-L428 HydrophobicContact CZ-CD2 4.4Å
268P96.5Very high93.5Very high0 Ų025.5 Ų25.50%014%0.142CC..PPolyproline II helixtrans-62.7141.6177.4-20.932.4000113.1C200 A201 F202 M203 L259 H266 L378 S379C200-P268 WeakPolarHBondContact SG-CD 3.46Å; C200-P268 VanDerWaalsContact SG-CG 3.58Å; A201-P268 WeakPolarHBondContact O-CD 3.42Å; F202-P268 HydrophobicContact CD1-CB 4.26Å; F202-P268 HydrophobicContact CD1-CG 4.39Å; F202-P268 HydrophobicContact CE1-CG 4.42Å; M203-P268 PolarHBondContact N-O 3.37Å; L259-P268 HydrophobicContact CB-CG 3.96Å; L259-P268 HydrophobicContact CD1-CB 4.34Å; L259-P268 HydrophobicContact CD1-CG 4.02Å; L259-P268 HydrophobicContact CG-CG 4.49Å; H266-P268 WeakPolarHBondContact O-CD 3.22Å; P268-L378 HydrophobicContact CB-CB 4.47Å; P268-S379 WeakPolarHBondContact CA-O 3.21Å
269L96.3Very high93.1Very high0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-86.2141.4172.9-51.1-174000110.5M203 Q301 V303 C305 L378 S379 T381 I384M203-L269 HydrophobicContact CB-CD2 4.07Å; L269-Q301 HydrophobicContact CB-CG 4.41Å; L269-Q301 VanDerWaalsContact CD1-CD 3.47Å; L269-Q301 HydrophobicContact CD1-CG 4.27Å; L269-V303 HydrophobicContact CD1-CB 4.49Å; L269-V303 HydrophobicContact CD2-CB 3.91Å; L269-V303 HydrophobicContact CD2-CG1 4.1Å; L269-V303 HydrophobicContact CD2-CG2 3.84Å; L269-C305 VanDerWaalsContact CD1-SG 3.51Å; L269-L378 CarbonylContact O-C 3.4Å; L269-L378 WeakPolarHBondContact O-CA 3.42Å; L269-S379 PolarHBondContact N-O 3.43Å; L269-S379 PolarHBondContact O-N 2.84Å; L269-T381 HydrophobicContact CD1-CG2 3.36Å; L269-T381 HydrophobicContact CG-CG2 3.92Å; L269-I384 HydrophobicContact CD2-CB 4.3Å; L269-I384 HydrophobicContact CD2-CD1 3.61Å; L269-I384 HydrophobicContact CD2-CG1 3.96Å
270A96.7Very high92.8Very high0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-94.6143.5174.500000112.4M203 V204 I234 M302 M377 L378M203-A270 PolarHBondContact O-N 3.37Å; V204-A270 HydrophobicContact CG1-CB 4Å; I234-A270 HydrophobicContact CD1-CB 4.08Å; I234-A270 HydrophobicContact CG1-CB 4.34Å; I234-A270 HydrophobicContact CG2-CB 3.99Å; A270-M302 HydrophobicContact CB-SD 4.4Å; A270-M302 VanDerWaalsContact O-CB 3.3Å; A270-M302 WeakPolarHBondContact O-CB 3.49Å; A270-M302 WeakPolarHBondContact O-CG 3.48Å; A270-M302 PolarHBondContact O-N 3.5Å; A270-M377 CarbonylContact C-O 3.51Å; A270-L378 HydrophobicContact CB-CD2 4.24Å
271T97.6Very high92.2Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-141.1144.9170.3-59.80000109.6C295 N300 Q301 C376 M377T271-C295 HydrophobicContact CG2-CB 4.13Å; T271-C295 WeakPolarHBondContact CG2-O 3.31Å; T271-N300 HydrophobicContact CG2-CB 4.03Å; T271-N300 WeakPolarHBondContact CG2-O 3.1Å; T271-Q301 WeakPolarHBondContact OG1-CA 3.42Å; T271-C376 CarbonylContact O-C 3.46Å; T271-C376 WeakPolarHBondContact O-CA 3.34Å; T271-M377 PolarHBondContact N-O 3.42Å; T271-M377 PolarHBondContact O-N 3.15Å
272Y97.4Very high91.6Very high6 Ų641.2 Ų41.22%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-129.7139178.4-164.8-101.6000111.7L230 Q233 I234 P274 V275 P360 A374 C376L230-Y272 HydrophobicContact CD1-CD1 4.17Å; L230-Y272 HydrophobicContact CD1-CG 4.48Å; Q233-Y272 HydrophobicContact CB-CD2 4.3Å; Q233-Y272 HydrophobicContact CB-CE1 4.2Å; Q233-Y272 HydrophobicContact CB-CE2 3.85Å; Q233-Y272 PolarHBondContact OE1-OH 3.33Å; I234-Y272 HydrophobicContact CD1-CD2 4.01Å; I234-Y272 HydrophobicContact CD1-CG 4.29Å; Y272-P274 WeakPolarHBondContact CE1-O 3.21Å; Y272-V275 HydrophobicContact CD1-CG2 3.96Å; Y272-P360 WeakPolarHBondContact OH-CB 3.34Å; Y272-P360 WeakPolarHBondContact OH-CG 3.27Å; Y272-A374 HydrophobicContact CE1-CB 4.21Å; Y272-A374 HydrophobicContact CE2-CB 4.29Å; Y272-A374 WeakPolarHBondContact OH-CB 3.5Å; Y272-C376 HydrophobicContact CD2-CB 4.03Å; Y272-C376 HydrophobicContact CE2-CB 4.45Å
273A96.9Very high90.9Very high1 Ų143.7 Ų43.71%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-146.8142.5173.100000112I291 A294 A374 V375A273-I291 HydrophobicContact CB-CB 4.34Å; A273-I291 WeakPolarHBondContact CB-O 3.36Å; A273-A294 HydrophobicContact CB-CB 3.79Å; A273-A374 CarbonylContact O-C 3.54Å; A273-A374 VanDerWaalsContact O-CA 3.28Å; A273-A374 WeakPolarHBondContact O-CA 3.34Å; A273-A374 WeakPolarHBondContact O-CB 3.37Å; A273-V375 HydrophobicContact CB-CG1 4.21Å; A273-V375 PolarHBondContact N-O 3.29Å; A273-V375 PolarHBondContact O-N 3.01Å
274P95.6Very high90.2Very high15 Ų1543.5 Ų43.510%0.09721%0.208CC..  cis-78.6149.7-6.634.7-34.5000111.2Y272 I276 L286 I291 V371Y272-P274 WeakPolarHBondContact CE1-O 3.21Å; P274-I276 HydrophobicContact CB-CG2 4.33Å; P274-I276 HydrophobicContact CG-CG2 4.37Å; P274-L286 HydrophobicContact CB-CD2 3.78Å; P274-L286 HydrophobicContact CG-CD1 4.02Å; P274-L286 HydrophobicContact CG-CD2 3.88Å; P274-L286 HydrophobicContact CG-CG 4.5Å; P274-I291 HydrophobicContact CG-CG2 4.42Å; P274-V371 HydrophobicContact CG-CG1 4.02Å
275V94.7Very high89.4Confident15 Ų1547.6 Ų47.69%0.09123%0.231CC..  trans-106106.6160.7179.80000105.5I212 N216 L217 L230 Y272 L368I212-V275 HydrophobicContact CG2-CB 4.13Å; I212-V275 HydrophobicContact CG2-CG1 3.79Å; I212-V275 HydrophobicContact CG2-CG2 4.07Å; N216-V275 HydrophobicContact CB-CB 4.29Å; N216-V275 HydrophobicContact CB-CG1 4.02Å; N216-V275 WeakPolarHBondContact CB-O 3.28Å; L217-V275 HydrophobicContact CD1-CG1 4.26Å; L217-V275 HydrophobicContact CD2-CG1 3.64Å; L217-V275 HydrophobicContact CG-CG1 3.89Å; L230-V275 HydrophobicContact CD1-CG2 3.86Å; L230-V275 HydrophobicContact CD2-CG1 4.35Å; L230-V275 HydrophobicContact CD2-CG2 4.28Å; Y272-V275 HydrophobicContact CD1-CG2 3.96Å; V275-L368 HydrophobicContact CG1-CD2 4.13Å
276I92.6Very high89.1Confident6 Ų649 Ų493%0.03124%0.238CC..  trans-140.1138.6-172.5-171.9165.5000110.4P274 K280 E284 A369 V371P274-I276 HydrophobicContact CB-CG2 4.33Å; P274-I276 HydrophobicContact CG-CG2 4.37Å; I276-K280 HydrophobicContact CD1-CB 3.99Å; I276-K280 HydrophobicContact CG1-CB 3.72Å; I276-E284 HydrophobicContact CD1-CB 4.08Å; I276-E284 HydrophobicContact CD1-CG 3.96Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.37Å; I276-A369 HydrophobicContact CG2-CB 3.91Å; I276-A369 PolarHBondContact O-N 3.25Å; I276-V371 HydrophobicContact CG2-CG1 3.96Å
277S90.2Very high89.1Confident8 Ų850.9 Ų50.96%0.05625%0.251CS..BIsolated β-bridgetrans-69.3151.9176.466.60000111.6E279 K280 A281 D367S277-E279 PolarHBondContact O-N 3.23Å; S277-E279 VanDerWaalsContact O-N 3.09Å; S277-K280 PolarHBondContact O-N 2.81Å; S277-K280 VanDerWaalsContact O-N 3.15Å; S277-K280 WeakPolarHBondContact OG-CG 3.39Å; S277-K280 PolarHBondContact OG-N 3.11Å; S277-A281 PolarHBondContact O-N 3.47Å; S277-D367 WeakPolarHBondContact CA-O 3.49Å
278A82.9Confident89.1Confident53 Ų5351.3 Ų51.344%0.43825%0.254SS..THydrogen-bonded Turntrans-54-28.3175.300000113.6D367A278-D367 PolarHBondContact N-O 2.9Å
279E80.4Confident89.1Confident160 Ų16053.2 Ų53.275%0.74827%0.27SS*.THydrogen-bonded Turntrans-77.9-39.4179.4-60.4-175.1171.700112.8S277S277-E279 PolarHBondContact O-N 3.23Å; S277-E279 VanDerWaalsContact O-N 3.09Å
280K83.5Confident89.1Confident69 Ų6957.3 Ų57.330%0.329%0.289SS..G310 helixtrans-79-20-176.2-75.2175.7175.6159.40114.1D218 I276 S277 Y282 H283D218-K280 IonicContact OD1-NZ 2.7Å; D218-K280 PolarHBondContact OD1-NZ 2.75Å; D218-K280 WeakPolarHBondContact OD2-CE 3.2Å; D218-K280 IonicContact OD2-NZ 2.69Å; D218-K280 PolarHBondContact OD2-NZ 3.48Å; I276-K280 HydrophobicContact CD1-CB 3.99Å; I276-K280 HydrophobicContact CG1-CB 3.72Å; S277-K280 PolarHBondContact O-N 2.81Å; S277-K280 VanDerWaalsContact O-N 3.15Å; S277-K280 WeakPolarHBondContact OG-CG 3.39Å; S277-K280 PolarHBondContact OG-N 3.11Å; K280-Y282 PolarHBondContact O-N 3.16Å; K280-H283 PolarHBondContact O-N 3.13Å
281A79.9Confident89.1Confident27 Ų2757.4 Ų57.422%0.22329%0.29CS..G310 helixtrans-55.9-26.5-171.400000115.9S277 H283 A369S277-A281 PolarHBondContact O-N 3.47Å; A281-H283 VanDerWaalsContact C-N 3.3Å; A281-H283 PolarHBondContact O-N 3.1Å; A281-A369 HydrophobicContact CB-CB 3.41Å; A281-A369 VanDerWaalsContact CB-CB 3.41Å
282Y76.9Confident89.1Confident204 Ų20457.4 Ų57.480%0.829%0.29SS*.G310 helixtrans-78.5-11.5179.8-59.8-79.1000114.2K280K280-Y282 PolarHBondContact O-N 3.16Å
283H76.8Confident89Confident166 Ų16658.9 Ų58.977%0.76930%0.298SS*.SBendtrans-105.6-8.3-172.3-66.1-60.4000114.2K280 A281K280-H283 PolarHBondContact O-N 3.13Å; A281-H283 VanDerWaalsContact C-N 3.3Å; A281-H283 PolarHBondContact O-N 3.1Å
284E78.2Confident88.9Confident106 Ų10660 Ų6050%0.49531%0.308SS..  trans-111.7139.2-174.5-65.4-168.1-169.500112.4I276 L286I276-E284 HydrophobicContact CD1-CB 4.08Å; I276-E284 HydrophobicContact CD1-CG 3.96Å; I276-E284 WeakPolarHBondContact CD1-OE2 3.37Å; E284-L286 HydrophobicContact CB-CD2 4.34Å
285Q76.8Confident89Confident158 Ų15859.4 Ų59.474%0.73830%0.303SS*.  trans-82.6131.6162.1-68.3-170.80.500107.9E290Q285-E290 VanDerWaalsContact C-OE2 3.31Å
286L89.1Confident89.1Confident32 Ų3259.1 Ų59.117%0.16830%0.301CS..  trans-116.759.8-177.9-61.7174.3000108.5P274 E284 I291 V371 R373P274-L286 HydrophobicContact CB-CD2 3.78Å; P274-L286 HydrophobicContact CG-CD1 4.02Å; P274-L286 HydrophobicContact CG-CD2 3.88Å; P274-L286 HydrophobicContact CG-CG 4.5Å; E284-L286 HydrophobicContact CB-CD2 4.34Å; L286-I291 HydrophobicContact CB-CG2 4.41Å; L286-V371 HydrophobicContact CD1-CB 4.32Å; L286-V371 HydrophobicContact CD1-CG1 3.8Å; L286-R373 WeakPolarHBondContact O-CD 3.26Å; L286-R373 PolarHBondContact O-NH1 3.09Å
287S95Very high89.2Confident42 Ų4263.5 Ų63.529%0.29432%0.321SS..  trans-68.2158.5175.169.30000111A289 E290 I291S287-A289 PolarHBondContact O-N 2.78Å; S287-E290 WeakPolarHBondContact CB-OE2 3.23Å; S287-E290 PolarHBondContact N-OE2 3.35Å; S287-E290 PolarHBondContact O-N 3.07Å; S287-E290 VanDerWaalsContact O-N 3.16Å; S287-E290 VanDerWaalsContact OG-CD 3.23Å; S287-E290 VanDerWaalsContact OG-CG 3.3Å; S287-E290 WeakPolarHBondContact OG-CG 3.33Å; S287-E290 PolarHBondContact OG-N 3.46Å; S287-E290 PolarHBondContact OG-OE2 3.49Å; S287-I291 WeakPolarHBondContact O-CG1 3.16Å; S287-I291 PolarHBondContact O-N 3.37Å; S287-I291 VanDerWaalsContact O-N 3.08Å
288V96.8Very high89.4Confident9 Ų965.3 Ų65.36%0.05533%0.333CS..Hα-helixtrans-55.3-42.9174.8179.20000110.3E290 I291 T292 Y319 V323 D327 V328 A331V288-E290 PolarHBondContact O-N 3.37Å; V288-I291 VanDerWaalsContact O-CG1 3.28Å; V288-I291 WeakPolarHBondContact O-CG1 3.49Å; V288-T292 VanDerWaalsContact O-CB 3.31Å; V288-T292 WeakPolarHBondContact O-CB 3.26Å; V288-T292 PolarHBondContact O-N 3.18Å; V288-T292 PolarHBondContact O-OG1 3.39Å; V288-Y319 HydrophobicContact CG1-CD1 4.5Å; V288-Y319 HydrophobicContact CG1-CE1 3.9Å; V288-V323 HydrophobicContact CG1-CG1 4.33Å; V288-V323 HydrophobicContact CG2-CB 4.44Å; V288-V323 HydrophobicContact CG2-CG1 3.96Å; V288-V323 HydrophobicContact CG2-CG2 4.22Å; V288-D327 HydrophobicContact CB-CB 3.99Å; V288-D327 HydrophobicContact CG1-CB 4.23Å; V288-D327 HydrophobicContact CG2-CB 4.06Å; V288-V328 HydrophobicContact CG1-CG2 3.87Å; V288-A331 HydrophobicContact CG1-CB 4.44Å
289A96.8Very high90Very high41 Ų4165.3 Ų65.334%0.33933%0.333SS..Hα-helixtrans-61-44.5177.700000112.7S287 N293 A331S287-A289 PolarHBondContact O-N 2.78Å; A289-N293 WeakPolarHBondContact O-CB 3.23Å; A289-N293 VanDerWaalsContact O-CG 3.31Å; A289-N293 PolarHBondContact O-N 2.8Å; A289-N293 PolarHBondContact O-ND2 2.68Å; A289-A331 HydrophobicContact CB-CB 4.42Å
290E95.5Very high90.7Very high85 Ų8558.7 Ų58.740%0.39730%0.303SS..Hα-helixtrans-64.9-47.7-179.6-74.2157.514800112Q285 S287 V288 T292 N293 A294Q285-E290 VanDerWaalsContact C-OE2 3.31Å; S287-E290 WeakPolarHBondContact CB-OE2 3.23Å; S287-E290 PolarHBondContact N-OE2 3.35Å; S287-E290 PolarHBondContact O-N 3.07Å; S287-E290 VanDerWaalsContact O-N 3.16Å; S287-E290 VanDerWaalsContact OG-CD 3.23Å; S287-E290 VanDerWaalsContact OG-CG 3.3Å; S287-E290 WeakPolarHBondContact OG-CG 3.33Å; S287-E290 PolarHBondContact OG-N 3.46Å; S287-E290 PolarHBondContact OG-OE2 3.49Å; V288-E290 PolarHBondContact O-N 3.37Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.19Å; E290-N293 PolarHBondContact O-N 2.89Å; E290-A294 WeakPolarHBondContact O-CB 3.11Å; E290-A294 PolarHBondContact O-N 3.04Å
291I96.8Very high91.3Very high2 Ų255.7 Ų55.71%0.0129%0.29CS..Hα-helixtrans-66.8-37.2179.968178.8000111.3A273 P274 L286 S287 V288 A294 C295 Y319 R373 V375A273-I291 HydrophobicContact CB-CB 4.34Å; A273-I291 WeakPolarHBondContact CB-O 3.36Å; P274-I291 HydrophobicContact CG-CG2 4.42Å; L286-I291 HydrophobicContact CB-CG2 4.41Å; S287-I291 WeakPolarHBondContact O-CG1 3.16Å; S287-I291 PolarHBondContact O-N 3.37Å; S287-I291 VanDerWaalsContact O-N 3.08Å; V288-I291 VanDerWaalsContact O-CG1 3.28Å; V288-I291 WeakPolarHBondContact O-CG1 3.49Å; I291-A294 PolarHBondContact O-N 3.1Å; I291-C295 PolarHBondContact O-N 3.18Å; I291-Y319 HydrophobicContact CD1-CD1 4.29Å; I291-Y319 HydrophobicContact CD1-CE1 4.37Å; I291-R373 HydrophobicContact CD1-CG 4.14Å; I291-V375 HydrophobicContact CB-CG1 3.88Å; I291-V375 HydrophobicContact CD1-CB 4.29Å; I291-V375 HydrophobicContact CD1-CG1 3.98Å; I291-V375 HydrophobicContact CG1-CG1 3.74Å
292T97.5Very high92.1Very high0 Ų054.4 Ų54.40%028%0.279CS..Hα-helixtrans-63.4-45173.6-580000111V288 E290 A294 C295 F296 M317 Y319 A331 I335V288-T292 VanDerWaalsContact O-CB 3.31Å; V288-T292 WeakPolarHBondContact O-CB 3.26Å; V288-T292 PolarHBondContact O-N 3.18Å; V288-T292 PolarHBondContact O-OG1 3.39Å; E290-T292 VanDerWaalsContact C-N 3.34Å; E290-T292 PolarHBondContact O-N 3.19Å; T292-A294 VanDerWaalsContact C-N 3.32Å; T292-A294 PolarHBondContact O-N 3.31Å; T292-C295 WeakPolarHBondContact O-CB 3.19Å; T292-C295 PolarHBondContact O-N 3.2Å; T292-F296 WeakPolarHBondContact O-CD2 3.19Å; T292-M317 HydrophobicContact CG2-CE 4.03Å; T292-Y319 PolarHBondContact OG1-OH 3.05Å; T292-A331 HydrophobicContact CG2-CB 3.92Å; T292-I335 HydrophobicContact CG2-CD1 4.46Å; T292-I335 HydrophobicContact CG2-CG1 3.86Å
293N96.1Very high93Very high37 Ų3744.9 Ų44.920%0.19824%0.242CC..Hα-helixtrans-60.9-42.8176.6-80.6-62.3000111.7A289 E290 C295 F296 I335 K338A289-N293 WeakPolarHBondContact O-CB 3.23Å; A289-N293 VanDerWaalsContact O-CG 3.31Å; A289-N293 PolarHBondContact O-N 2.8Å; A289-N293 PolarHBondContact O-ND2 2.68Å; E290-N293 PolarHBondContact O-N 2.89Å; N293-C295 PolarHBondContact O-N 3.38Å; N293-F296 PolarHBondContact O-N 2.83Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.19Å; N293-K338 WeakPolarHBondContact OD1-CE 3.36Å; N293-K338 PolarHBondContact OD1-NZ 2.84Å
294A96Very high93.9Very high26 Ų2639.7 Ų39.722%0.21522%0.218CC..Hα-helixtrans-61.5-28.317900000113.1A273 E290 I291 T292 F296 E297 N300A273-A294 HydrophobicContact CB-CB 3.79Å; E290-A294 WeakPolarHBondContact O-CB 3.11Å; E290-A294 PolarHBondContact O-N 3.04Å; I291-A294 PolarHBondContact O-N 3.1Å; T292-A294 VanDerWaalsContact C-N 3.32Å; T292-A294 PolarHBondContact O-N 3.31Å; A294-F296 PolarHBondContact O-N 3.21Å; A294-E297 PolarHBondContact O-N 3.04Å; A294-N300 PolarHBondContact O-ND2 2.77Å
295C97.1Very high94.6Very high1 Ų135.3 Ų35.31%0.00720%0.198CC..Hα-helixtrans-65.9-23.6174.1-77.60000114.2T271 I291 T292 N293 M317 V375 M377T271-C295 HydrophobicContact CG2-CB 4.13Å; T271-C295 WeakPolarHBondContact CG2-O 3.31Å; I291-C295 PolarHBondContact O-N 3.18Å; T292-C295 WeakPolarHBondContact O-CB 3.19Å; T292-C295 PolarHBondContact O-N 3.2Å; N293-C295 PolarHBondContact O-N 3.38Å; C295-M317 HydrophobicContact CB-CE 4.24Å; C295-V375 VanDerWaalsContact SG-CG1 3.52Å; C295-M377 HydrophobicContact CB-CB 3.95Å; C295-M377 HydrophobicContact CB-CE 4.24Å; C295-M377 HydrophobicContact CB-SD 4Å; C295-M377 WeakPolarHBondContact O-CE 3.27Å
296F95.9Very high95.3Very high10 Ų1029 Ų294%0.04417%0.17CC..THydrogen-bonded Turntrans-97.43.5179.1-71.4-87.9000113T292 N293 A294 P298 Y312 M317 I335 I341 F343 F351 M377T292-F296 WeakPolarHBondContact O-CD2 3.19Å; N293-F296 PolarHBondContact O-N 2.83Å; A294-F296 PolarHBondContact O-N 3.21Å; F296-P298 WeakPolarHBondContact O-CD 3.46Å; F296-Y312 AromaticContact CD1-CE2 3.93Å; F296-Y312 HydrophobicContact CD1-CE2 3.93Å; F296-Y312 AromaticContact CD1-CZ 3.99Å; F296-Y312 HydrophobicContact CE1-CD2 4.39Å; F296-Y312 HydrophobicContact CE1-CE2 4.15Å; F296-M317 HydrophobicContact CE2-CE 4.36Å; F296-M317 HydrophobicContact CE2-SD 4.25Å; F296-M317 HydrophobicContact CZ-SD 4.45Å; F296-I335 HydrophobicContact CD1-CG2 4.31Å; F296-I335 HydrophobicContact CD2-CD1 3.69Å; F296-I335 HydrophobicContact CD2-CG1 3.92Å; F296-I335 HydrophobicContact CD2-CG2 4.01Å; F296-I335 HydrophobicContact CE1-CG2 4.07Å; F296-I335 HydrophobicContact CE2-CB 4.46Å; F296-I335 HydrophobicContact CE2-CD1 4.23Å; F296-I335 HydrophobicContact CE2-CG1 3.93Å; F296-I335 HydrophobicContact CE2-CG2 3.77Å; F296-I335 HydrophobicContact CG-CD1 4.27Å; F296-I335 HydrophobicContact CG-CG2 4.29Å; F296-I335 HydrophobicContact CZ-CG2 3.81Å; F296-I341 HydrophobicContact CB-CD1 3.51Å; F296-I341 HydrophobicContact CB-CG1 4.31Å; F296-I341 HydrophobicContact CD1-CD1 3.87Å; F296-I341 HydrophobicContact CD1-CG1 4.39Å; F296-I341 HydrophobicContact CD1-CG2 3.7Å; F296-I341 HydrophobicContact CE1-CG2 3.99Å; F296-I341 HydrophobicContact CG-CD1 3.71Å; F296-F343 HydrophobicContact CE1-CZ 4.11Å; F296-F351 HydrophobicContact CE1-CZ 4.43Å; F296-F351 HydrophobicContact CE2-CE1 4.19Å; F296-F351 HydrophobicContact CE2-CZ 4.43Å; F296-F351 AromaticContact CZ-CE1 3.64Å; F296-F351 HydrophobicContact CZ-CE1 3.64Å; F296-F351 AromaticContact CZ-CZ 3.71Å; F296-F351 HydrophobicContact CZ-CZ 3.71Å; F296-M377 HydrophobicContact CD1-CE 4.39Å; F296-M377 HydrophobicContact CD1-SD 4.32Å; F296-M377 HydrophobicContact CD2-SD 4.21Å; F296-M377 HydrophobicContact CE1-CE 4.31Å; F296-M377 HydrophobicContact CE1-SD 3.79Å; F296-M377 HydrophobicContact CE2-SD 3.65Å; F296-M377 HydrophobicContact CZ-CE 4.46Å; F296-M377 HydrophobicContact CZ-SD 3.41Å; F296-M377 WeakPolarHBondContact CZ-SD 3.47Å
297E94.8Very high95.5Very high97 Ų9728 Ų2845%0.45317%0.165SC..SBendtrans-77.7122.7173-67.4-59.2147.600109.4A294 A299 N300A294-E297 PolarHBondContact O-N 3.04Å; E297-A299 PolarHBondContact O-N 2.81Å; E297-N300 PolarHBondContact O-N 2.78Å
298P94.7Very high95.3Very high46 Ų4633.4 Ų33.430%0.29918%0.179SC..G310 helixtrans-51.6-32.7-177.4-29.334.5000113.8F296 N300 Q301 P307F296-P298 WeakPolarHBondContact O-CD 3.46Å; P298-N300 VanDerWaalsContact C-N 3.25Å; P298-N300 PolarHBondContact O-N 2.89Å; P298-Q301 PolarHBondContact O-N 3Å; P298-P307 HydrophobicContact CB-CG 4.03Å; P298-P307 HydrophobicContact CG-CG 3.87Å
299A94.8Very high95.1Very high54 Ų5439.4 Ų39.445%0.44621%0.206SC..G310 helixtrans-68.9-21.2-178.600000113.4I212 R215 E297I212-A299 WeakPolarHBondContact CG1-O 3.46Å; R215-A299 PolarHBondContact NH2-O 2.95Å; E297-A299 PolarHBondContact O-N 2.81Å
300N95.9Very high94.9Very high20 Ų2037.8 Ų37.811%0.10719%0.193CC..G310 helixtrans-93.9-7.4-179-66.4-22.2000112.9I212 R215 N216 T271 A294 E297 P298I212-N300 WeakPolarHBondContact CD1-O 3.32Å; R215-N300 PolarHBondContact NH1-OD1 2.95Å; N216-N300 PolarHBondContact ND2-OD1 3.26Å; T271-N300 HydrophobicContact CG2-CB 4.03Å; T271-N300 WeakPolarHBondContact CG2-O 3.1Å; A294-N300 PolarHBondContact O-ND2 2.77Å; E297-N300 PolarHBondContact O-N 2.78Å; P298-N300 VanDerWaalsContact C-N 3.25Å; P298-N300 PolarHBondContact O-N 2.89Å
301Q95.8Very high94.9Very high6 Ų634.9 Ų34.93%0.02818%0.179CC..BIsolated β-bridgetrans-65.5137.2174.5-166.7175.3-87.400110.4L269 T271 P298 V303 C305L269-Q301 HydrophobicContact CB-CG 4.41Å; L269-Q301 VanDerWaalsContact CD1-CD 3.47Å; L269-Q301 HydrophobicContact CD1-CG 4.27Å; T271-Q301 WeakPolarHBondContact OG1-CA 3.42Å; P298-Q301 PolarHBondContact O-N 3Å; Q301-V303 PolarHBondContact NE2-O 3Å; Q301-V303 PolarHBondContact O-N 2.91Å; Q301-C305 PolarHBondContact NE2-O 2.96Å; Q301-C305 PolarHBondContact NE2-SG 3.39Å
302M96.7Very high94.8Very high0 Ų035.1 Ų35.10%018%0.18CC..SBendtrans-86.312-178.9-60.8-171.7177.200113.1V204 D205 A208 I209 I212 L230 I234 A270V204-M302 CarbonylContact C-O 3.6Å; V204-M302 WeakPolarHBondContact CA-O 3.38Å; V204-M302 HydrophobicContact CB-CB 4.19Å; V204-M302 HydrophobicContact CG1-CB 3.86Å; V204-M302 HydrophobicContact CG1-SD 4.19Å; D205-M302 PolarHBondContact N-O 3.32Å; A208-M302 VanDerWaalsContact CB-C 3.49Å; I209-M302 HydrophobicContact CD1-CB 4.43Å; I209-M302 HydrophobicContact CD1-SD 4.46Å; I209-M302 HydrophobicContact CG1-CB 3.97Å; I209-M302 HydrophobicContact CG1-CG 4.12Å; I209-M302 HydrophobicContact CG1-SD 4.35Å; I212-M302 HydrophobicContact CD1-CG 4.18Å; L230-M302 HydrophobicContact CD1-CE 3.84Å; L230-M302 HydrophobicContact CD2-CE 3.97Å; L230-M302 HydrophobicContact CG-CE 3.59Å; I234-M302 HydrophobicContact CD1-CE 3.68Å; I234-M302 HydrophobicContact CD1-SD 3.86Å; I234-M302 HydrophobicContact CG1-CE 3.73Å; I234-M302 HydrophobicContact CG1-SD 3.59Å; I234-M302 VanDerWaalsContact CG1-SD 3.59Å; A270-M302 HydrophobicContact CB-SD 4.4Å; A270-M302 VanDerWaalsContact O-CB 3.3Å; A270-M302 WeakPolarHBondContact O-CB 3.49Å; A270-M302 WeakPolarHBondContact O-CG 3.48Å; A270-M302 PolarHBondContact O-N 3.5Å
303V96.1Very high94.6Very high5 Ų535.1 Ų35.13%0.0318%0.18CC..SBendtrans-133.9139.5173.3177.20000109.7M203 D205 L269 Q301 C305M203-V303 HydrophobicContact CB-CG2 4.02Å; M203-V303 WeakPolarHBondContact O-CG2 3.4Å; D205-V303 VanDerWaalsContact OD2-C 3.32Å; D205-V303 WeakPolarHBondContact OD2-CA 3.41Å; L269-V303 HydrophobicContact CD1-CB 4.49Å; L269-V303 HydrophobicContact CD2-CB 3.91Å; L269-V303 HydrophobicContact CD2-CG1 4.1Å; L269-V303 HydrophobicContact CD2-CG2 3.84Å; Q301-V303 PolarHBondContact NE2-O 3Å; Q301-V303 PolarHBondContact O-N 2.91Å; V303-C305 PolarHBondContact O-N 2.83Å
304K94.5Very high94.5Very high57 Ų5733.8 Ų33.825%0.24817%0.174CC..SBendtrans-75.782.8176.6-71.2-60.6-169.4177.90110.2P175 D205 E207 A208 D211 R390P175-K304 HydrophobicContact CG-CB 3.89Å; P175-K304 HydrophobicContact CG-CG 4.19Å; D205-K304 WeakPolarHBondContact OD2-CB 3.41Å; D205-K304 WeakPolarHBondContact OD2-CG 3.12Å; D205-K304 PolarHBondContact OD2-N 3.12Å; E207-K304 HydrophobicContact CB-CG 4.34Å; E207-K304 HydrophobicContact CG-CG 4.45Å; E207-K304 WeakPolarHBondContact OE1-CE 3.34Å; A208-K304 HydrophobicContact CB-CD 4.22Å; A208-K304 HydrophobicContact CB-CG 4.2Å; D211-K304 IonicContact OD2-NZ 2.8Å; D211-K304 PolarHBondContact OD2-NZ 3.32Å; K304-R390 VanDerWaalsContact O-CZ 3.28Å; K304-R390 PolarHBondContact O-NH1 3.41Å; K304-R390 PolarHBondContact O-NH2 2.94Å
305C93.4Very high94.4Very high13 Ų1332.6 Ų32.69%0.08816%0.164CC..SBendtrans-147.7155.8158.755.20000108.4L269 Q301 V303 P307 A383 E386L269-C305 VanDerWaalsContact CD1-SG 3.51Å; Q301-C305 PolarHBondContact NE2-O 2.96Å; Q301-C305 PolarHBondContact NE2-SG 3.39Å; V303-C305 PolarHBondContact O-N 2.83Å; C305-P307 VanDerWaalsContact O-CD 3.28Å; C305-P307 WeakPolarHBondContact O-CD 3.17Å; C305-A383 HydrophobicContact CB-CB 4.43Å; C305-A383 WeakPolarHBondContact CB-O 3.43Å; C305-E386 VanDerWaalsContact CA-OE2 3.27Å; C305-E386 WeakPolarHBondContact CA-OE2 3.4Å; C305-E386 HydrophobicContact CB-CB 4.09Å; C305-E386 WeakPolarHBondContact CB-OE2 3.2Å
306D92.8Very high94.3Very high27 Ų2732.7 Ų32.714%0.14417%0.165CC..  trans-88.8109.4178.1-165.3-18.5000110R308 H309 A383 E386D306-R308 VanDerWaalsContact CG-NE 3.33Å; D306-R308 PolarHBondContact O-N 3.39Å; D306-R308 VanDerWaalsContact OD1-CB 3.26Å; D306-R308 WeakPolarHBondContact OD1-CB 3.01Å; D306-R308 WeakPolarHBondContact OD1-CG 2.99Å; D306-R308 IonicContact OD1-CZ 3.63Å; D306-R308 PolarHBondContact OD1-N 3.4Å; D306-R308 IonicContact OD1-NE 3.38Å; D306-R308 PolarHBondContact OD1-NE 3.47Å; D306-R308 IonicContact OD1-NH2 3.89Å; D306-R308 PolarHBondContact OD1-NH2 3.23Å; D306-R308 IonicContact OD2-CZ 2.7Å; D306-R308 IonicContact OD2-NE 2.64Å; D306-R308 PolarHBondContact OD2-NE 2.85Å; D306-R308 VanDerWaalsContact OD2-NE 3.07Å; D306-R308 IonicContact OD2-NH2 2.66Å; D306-R308 PolarHBondContact OD2-NH2 3.24Å; D306-H309 PolarHBondContact O-N 3.12Å; D306-H309 IonicContact OD2-CE1 2.66Å; D306-H309 IonicContact OD2-NE2 2.82Å; D306-A383 WeakPolarHBondContact O-CB 3.27Å; D306-E386 PolarHBondContact N-OE2 3.48Å
307P92.7Very high94.3Very high10 Ų1032.2 Ų32.27%0.06516%0.163CC..G310 helixtrans-62.2-13.6178.827.8-35.9000113P298 C305 H309 G310 Y312P298-P307 HydrophobicContact CB-CG 4.03Å; P298-P307 HydrophobicContact CG-CG 3.87Å; C305-P307 VanDerWaalsContact O-CD 3.28Å; C305-P307 WeakPolarHBondContact O-CD 3.17Å; P307-H309 VanDerWaalsContact C-N 3.32Å; P307-G310 PolarHBondContact O-N 2.9Å; P307-G310 VanDerWaalsContact O-O 3.07Å; P307-Y312 HydrophobicContact CB-CE2 4.23Å; P307-Y312 VanDerWaalsContact CB-OH 3.25Å; P307-Y312 WeakPolarHBondContact CB-OH 3.35Å
308R91Very high94.3Very high155 Ų15528 Ų2859%0.58514%0.143SC*.G310 helixtrans-76.5-17.8174.6-59.5170.3-69.3-179.3-1.1113.3D306 G310D306-R308 VanDerWaalsContact CG-NE 3.33Å; D306-R308 PolarHBondContact O-N 3.39Å; D306-R308 VanDerWaalsContact OD1-CB 3.26Å; D306-R308 WeakPolarHBondContact OD1-CB 3.01Å; D306-R308 WeakPolarHBondContact OD1-CG 2.99Å; D306-R308 IonicContact OD1-CZ 3.63Å; D306-R308 PolarHBondContact OD1-N 3.4Å; D306-R308 IonicContact OD1-NE 3.38Å; D306-R308 PolarHBondContact OD1-NE 3.47Å; D306-R308 IonicContact OD1-NH2 3.89Å; D306-R308 PolarHBondContact OD1-NH2 3.23Å; D306-R308 IonicContact OD2-CZ 2.7Å; D306-R308 IonicContact OD2-NE 2.64Å; D306-R308 PolarHBondContact OD2-NE 2.85Å; D306-R308 VanDerWaalsContact OD2-NE 3.07Å; D306-R308 IonicContact OD2-NH2 2.66Å; D306-R308 PolarHBondContact OD2-NH2 3.24Å; R308-G310 VanDerWaalsContact C-N 3.28Å
309H92.3Very high94.4Very high136 Ų13625.8 Ų25.863%0.6313%0.129SC*.G310 helixtrans-91.27.2174.5-59.4161.1000112.4D306 P307 E386D306-H309 PolarHBondContact O-N 3.12Å; D306-H309 IonicContact OD2-CE1 2.66Å; D306-H309 IonicContact OD2-NE2 2.82Å; P307-H309 VanDerWaalsContact C-N 3.32Å; H309-E386 WeakPolarHBondContact CB-OE1 3.35Å; H309-E386 IonicContact CE1-OE1 3.8Å; H309-E386 IonicContact CG-OE1 3.77Å; H309-E386 IonicContact ND1-OE1 3.94Å; H309-E386 PolarHBondContact ND1-OE1 3.06Å
310G93.1Very high94.5Very high6 Ų623.3 Ų23.36%0.06211%0.108CC..SBendtrans-143.9-172.117600000112P307 R308 T382P307-G310 PolarHBondContact O-N 2.9Å; P307-G310 VanDerWaalsContact O-O 3.07Å; R308-G310 VanDerWaalsContact C-N 3.28Å; G310-T382 WeakPolarHBondContact CA-OG1 3.32Å
311K94Very high94.4Very high25 Ų2522.5 Ų22.511%0.10910%0.104CC..  trans-126.1140.3178.6-62.5179.7-176.1164.60109.5M313 Q342 V344 T381 T382 G436 D438K311-M313 PolarHBondContact O-N 3.03Å; K311-Q342 WeakPolarHBondContact CA-O 3Å; K311-Q342 HydrophobicContact CG-CB 3.97Å; K311-V344 HydrophobicContact CB-CG1 3.89Å; K311-V344 HydrophobicContact CD-CG1 4.49Å; K311-T381 WeakPolarHBondContact O-CA 3.49Å; K311-T381 PolarHBondContact O-OG1 2.89Å; K311-T382 PolarHBondContact N-OG1 2.68Å; K311-T382 PolarHBondContact O-N 2.89Å; K311-G436 WeakPolarHBondContact CD-O 3.49Å; K311-G436 WeakPolarHBondContact CE-O 3.4Å; K311-G436 PolarHBondContact NZ-O 2.98Å; K311-D438 IonicContact NZ-OD1 2.65Å; K311-D438 PolarHBondContact NZ-OD1 2.56Å; K311-D438 IonicContact NZ-OD2 3.51Å; K311-D438 PolarHBondContact NZ-OD2 2.85Å
312Y94.7Very high94.3Very high6 Ų626.8 Ų26.82%0.02413%0.127CC..EExtended strand (participates in β ladder)trans-74.1124171.8-69.3-75.6000110F296 P307 I341 Q342 F343 V344 M377F296-Y312 AromaticContact CD1-CE2 3.93Å; F296-Y312 HydrophobicContact CD1-CE2 3.93Å; F296-Y312 AromaticContact CD1-CZ 3.99Å; F296-Y312 HydrophobicContact CE1-CD2 4.39Å; F296-Y312 HydrophobicContact CE1-CE2 4.15Å; P307-Y312 HydrophobicContact CB-CE2 4.23Å; P307-Y312 VanDerWaalsContact CB-OH 3.25Å; P307-Y312 WeakPolarHBondContact CB-OH 3.35Å; Y312-I341 HydrophobicContact CD2-CG2 3.79Å; Y312-I341 HydrophobicContact CE2-CG2 3.8Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.42Å; Y312-Q342 PolarHBondContact N-O 3.17Å; Y312-F343 HydrophobicContact CD2-CE1 4.45Å; Y312-F343 HydrophobicContact CD2-CZ 4.45Å; Y312-F343 HydrophobicContact CG-CE1 4.21Å; Y312-F343 VanDerWaalsContact O-CA 3.28Å; Y312-F343 WeakPolarHBondContact O-CA 3.37Å; Y312-V344 PolarHBondContact O-N 3.23Å; Y312-M377 HydrophobicContact CE1-CE 4.47Å
313M93.9Very high94.2Very high1 Ų127.1 Ų27.11%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-88.6-40.6173.9-66.4173.8-82.100111.4P261 I265 K311 V344 W346 C347 N380 T382 Y432 V435P261-M313 HydrophobicContact CG-SD 4.12Å; I265-M313 HydrophobicContact CG2-CE 3.7Å; I265-M313 HydrophobicContact CG2-SD 3.99Å; K311-M313 PolarHBondContact O-N 3.03Å; M313-V344 HydrophobicContact CB-CG2 4.43Å; M313-V344 HydrophobicContact CG-CG1 3.74Å; M313-V344 HydrophobicContact CG-CG2 4.35Å; M313-W346 HydrophobicContact CB-CH2 4.18Å; M313-W346 HydrophobicContact CB-CZ2 4.45Å; M313-W346 HydrophobicContact CG-CH2 4.14Å; M313-W346 HydrophobicContact CG-CZ2 3.94Å; M313-W346 HydrophobicContact SD-CH2 4.47Å; M313-W346 HydrophobicContact SD-CZ2 4.29Å; M313-C347 PolarHBondContact O-SG 3.29Å; M313-C347 VanDerWaalsContact O-SG 3.38Å; M313-N380 HydrophobicContact CE-CB 4.32Å; M313-N380 WeakPolarHBondContact CE-OD1 3.49Å; M313-N380 PolarHBondContact N-O 2.74Å; M313-T382 HydrophobicContact CE-CG2 4.01Å; M313-T382 HydrophobicContact CG-CG2 4.44Å; M313-T382 HydrophobicContact SD-CG2 4.24Å; M313-Y432 HydrophobicContact CE-CD1 3.89Å; M313-Y432 HydrophobicContact CE-CE1 3.67Å; M313-V435 HydrophobicContact SD-CB 4.3Å; M313-V435 HydrophobicContact SD-CG2 3.6Å
314A93.7Very high94Very high8 Ų830.3 Ų30.37%0.06615%0.149CC..EExtended strand (participates in β ladder)trans-152.1144.1179.300000110.9N258 L259 G350 S379 N380N258-A314 VanDerWaalsContact O-CB 3.26Å; N258-A314 WeakPolarHBondContact O-CB 3.39Å; L259-A314 HydrophobicContact CD2-CB 4.15Å; A314-G350 CarbonylContact C-O 3.59Å; A314-S379 CarbonylContact O-C 3.45Å; A314-S379 VanDerWaalsContact O-CA 3.26Å; A314-S379 WeakPolarHBondContact O-CA 3.43Å; A314-N380 HydrophobicContact CB-CB 4.49Å; A314-N380 PolarHBondContact N-O 3.33Å; A314-N380 PolarHBondContact O-N 3.11Å
315C94.9Very high94Very high2 Ų230.2 Ų30.21%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-132.8116.5177.3-69.90000109.6G350 F351 K352 L378C315-G350 WeakPolarHBondContact CB-O 3.1Å; C315-G350 PolarHBondContact N-O 3.45Å; C315-F351 HydrophobicContact CB-CD1 3.88Å; C315-F351 HydrophobicContact CB-CE1 3.89Å; C315-F351 HydrophobicContact CB-CG 4.41Å; C315-F351 HydrophobicContact CB-CZ 4.41Å; C315-F351 CarbonylContact O-C 3.43Å; C315-F351 VanDerWaalsContact O-CA 3.26Å; C315-F351 WeakPolarHBondContact O-CA 3.3Å; C315-K352 PolarHBondContact O-N 2.87Å; C315-L378 CarbonylContact C-O 3.56Å; C315-L378 WeakPolarHBondContact CA-O 2.98Å
316C94.6Very high94.1Very high2 Ų237.3 Ų37.31%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-100.5115.3170.8-170.30000109.5L259 K352 M377 L378L259-C316 HydrophobicContact CD1-CB 4.18Å; L259-C316 HydrophobicContact CD2-CB 3.73Å; L259-C316 HydrophobicContact CG-CB 4.15Å; C316-K352 CarbonylContact C-O 3.54Å; C316-K352 WeakPolarHBondContact CA-O 3.49Å; C316-K352 HydrophobicContact CB-CB 4.39Å; C316-M377 WeakPolarHBondContact O-CA 3.13Å; C316-L378 HydrophobicContact CB-CB 4.29Å; C316-L378 PolarHBondContact N-O 3.19Å; C316-L378 PolarHBondContact O-N 2.93Å
317M95.6Very high94.3Very high0 Ų039.8 Ų39.80%020%0.196CC..EExtended strand (participates in β ladder)trans-100.5109.6-179.2-52.4-64.7-61.300109.7T292 C295 F296 Y319 I332 F351 K352 V353 G354 V375 M377T292-M317 HydrophobicContact CG2-CE 4.03Å; C295-M317 HydrophobicContact CB-CE 4.24Å; F296-M317 HydrophobicContact CE2-CE 4.36Å; F296-M317 HydrophobicContact CE2-SD 4.25Å; F296-M317 HydrophobicContact CZ-SD 4.45Å; M317-Y319 HydrophobicContact CB-CD2 4.19Å; M317-Y319 HydrophobicContact CB-CE2 3.49Å; M317-Y319 VanDerWaalsContact CB-CE2 3.49Å; M317-Y319 HydrophobicContact CG-CE2 4.45Å; M317-I332 HydrophobicContact CG-CD1 4.49Å; M317-F351 HydrophobicContact CG-CD1 3.98Å; M317-F351 HydrophobicContact CG-CE1 4.32Å; M317-F351 HydrophobicContact SD-CE1 4.32Å; M317-K352 PolarHBondContact N-O 3.43Å; M317-V353 WeakPolarHBondContact O-CA 3.26Å; M317-G354 PolarHBondContact O-N 3.31Å; M317-V375 HydrophobicContact CB-CG2 4.36Å; M317-V375 HydrophobicContact CE-CG2 3.72Å; M317-M377 HydrophobicContact CE-CB 4.24Å; M317-M377 HydrophobicContact CE-CG 4.44Å; M317-M377 HydrophobicContact CE-SD 4.39Å; M317-M377 HydrophobicContact SD-CB 3.89Å; M317-M377 HydrophobicContact SD-CG 3.54Å; M317-M377 VanDerWaalsContact SD-CG 3.54Å; M317-M377 HydrophobicContact SD-SD 3.67Å; M317-M377 VanDerWaalsContact SD-SD 3.67Å
318L95.8Very high94.5Very high8 Ų839.3 Ų39.34%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-104.893.8-177.5-56.4175.9000109.8I238 V250 F255 V375 C376 L378I238-L318 HydrophobicContact CB-CD1 4.42Å; I238-L318 HydrophobicContact CG1-CD1 3.98Å; V250-L318 HydrophobicContact CG2-CD2 4.19Å; F255-L318 HydrophobicContact CE1-CD1 4.02Å; F255-L318 HydrophobicContact CE1-CD2 4.19Å; F255-L318 HydrophobicContact CZ-CD1 4.03Å; F255-L318 HydrophobicContact CZ-CD2 4.31Å; L318-V375 WeakPolarHBondContact O-CA 3.38Å; L318-C376 HydrophobicContact CB-CB 4.22Å; L318-C376 WeakPolarHBondContact CB-O 3.37Å; L318-C376 PolarHBondContact N-O 2.93Å; L318-C376 PolarHBondContact O-N 3.23Å; L318-L378 HydrophobicContact CD1-CD1 4.04Å; L318-L378 HydrophobicContact CD1-CG 4.49Å
319Y97.1Very high94.7Very high1 Ų136.9 Ų36.90%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-82.5142.9179.4-65.7-89.9000111.5V288 I291 T292 M317 V323 V328 V353 G354 I355 N356 A374 V375V288-Y319 HydrophobicContact CG1-CD1 4.5Å; V288-Y319 HydrophobicContact CG1-CE1 3.9Å; I291-Y319 HydrophobicContact CD1-CD1 4.29Å; I291-Y319 HydrophobicContact CD1-CE1 4.37Å; T292-Y319 PolarHBondContact OG1-OH 3.05Å; M317-Y319 HydrophobicContact CB-CD2 4.19Å; M317-Y319 HydrophobicContact CB-CE2 3.49Å; M317-Y319 VanDerWaalsContact CB-CE2 3.49Å; M317-Y319 HydrophobicContact CG-CE2 4.45Å; Y319-V323 HydrophobicContact CD1-CG1 3.88Å; Y319-V323 HydrophobicContact CD1-CG2 4.21Å; Y319-V323 HydrophobicContact CG-CG1 3.9Å; Y319-V328 HydrophobicContact CD1-CG2 4.35Å; Y319-V328 HydrophobicContact CD2-CG1 4.14Å; Y319-V328 HydrophobicContact CD2-CG2 3.94Å; Y319-V328 HydrophobicContact CE1-CG2 4.23Å; Y319-V328 HydrophobicContact CE2-CB 4.23Å; Y319-V328 HydrophobicContact CE2-CG1 3.38Å; Y319-V328 HydrophobicContact CE2-CG2 3.79Å; Y319-V328 HydrophobicContact CG-CG2 4.22Å; Y319-V353 HydrophobicContact CD2-CG1 4.15Å; Y319-V353 HydrophobicContact CE2-CG1 4.25Å; Y319-G354 PolarHBondContact N-O 2.95Å; Y319-I355 HydrophobicContact CD2-CG1 4.37Å; Y319-N356 PolarHBondContact O-N 3.13Å; Y319-A374 CarbonylContact C-O 3.47Å; Y319-A374 WeakPolarHBondContact CA-O 3.33Å; Y319-V375 HydrophobicContact CD1-CB 3.62Å; Y319-V375 HydrophobicContact CD1-CG2 3.76Å; Y319-V375 HydrophobicContact CD2-CG2 4.24Å; Y319-V375 HydrophobicContact CE1-CB 3.69Å; Y319-V375 HydrophobicContact CE1-CG1 4.23Å; Y319-V375 HydrophobicContact CE1-CG2 3.62Å; Y319-V375 HydrophobicContact CE2-CG2 4.12Å; Y319-V375 HydrophobicContact CG-CB 4.27Å; Y319-V375 HydrophobicContact CG-CG2 4.06Å
320R95.2Very high94.9Very high2 Ų233 Ų331%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-123.1138.8175.1-63.4-68.6-59.9-102.3-11.8109.4E27 S236 A240 N356 Q358 P359 P360 R373 A374E27-R320 IonicContact OE1-CZ 3.81Å; E27-R320 IonicContact OE1-NH1 3.65Å; E27-R320 IonicContact OE1-NH2 3.02Å; E27-R320 PolarHBondContact OE1-NH2 2.65Å; S236-R320 PolarHBondContact O-NH1 3.48Å; S236-R320 PolarHBondContact OG-NH1 2.88Å; A240-R320 VanDerWaalsContact CB-NH1 3.26Å; R320-N356 CarbonylContact C-O 3.54Å; R320-N356 WeakPolarHBondContact CA-O 3.17Å; R320-Q358 PolarHBondContact NE-O 2.78Å; R320-Q358 PolarHBondContact NH2-O 3.42Å; R320-P359 PolarHBondContact NH2-O 2.63Å; R320-P360 HydrophobicContact CB-CG 3.85Å; R320-P360 HydrophobicContact CG-CG 4.45Å; R320-R373 CarbonylContact O-C 3.56Å; R320-R373 WeakPolarHBondContact O-CA 3.44Å; R320-A374 PolarHBondContact N-O 3.3Å; R320-A374 PolarHBondContact O-N 3.05Å
321G94.4Very high95.1Very high2 Ų232.9 Ų32.92%0.02118%0.182CC..EExtended strand (participates in β ladder)trans90.1-147.5170.600000115V323 N356 Y357 Q358 Q372G321-V323 VanDerWaalsContact C-N 3.32Å; G321-V323 PolarHBondContact O-N 3.09Å; G321-N356 PolarHBondContact N-O 2.92Å; G321-Y357 WeakPolarHBondContact CA-O 3.11Å; G321-Q358 PolarHBondContact N-O 3.12Å; G321-Q372 WeakPolarHBondContact CA-O 3.24Å
322D93.2Very high95.2Very high97 Ų9732.3 Ų32.352%0.51918%0.18SC..SBendtrans-72.982.2-175.8176.736.3000111.4Q372 R373D322-Q372 PolarHBondContact N-O 3Å; D322-R373 PolarHBondContact O-NE 3.16Å; D322-R373 IonicContact OD2-CZ 3.85Å; D322-R373 IonicContact OD2-NH2 2.75Å; D322-R373 PolarHBondContact OD2-NH2 2.96Å
323V94.7Very high95.2Very high7 Ų734.7 Ų34.74%0.04220%0.201CC..  trans-134.9127.9-177.3178.10000109.7V288 Y319 G321 V328 I355 R373V288-V323 HydrophobicContact CG1-CG1 4.33Å; V288-V323 HydrophobicContact CG2-CB 4.44Å; V288-V323 HydrophobicContact CG2-CG1 3.96Å; V288-V323 HydrophobicContact CG2-CG2 4.22Å; Y319-V323 HydrophobicContact CD1-CG1 3.88Å; Y319-V323 HydrophobicContact CD1-CG2 4.21Å; Y319-V323 HydrophobicContact CG-CG1 3.9Å; G321-V323 VanDerWaalsContact C-N 3.32Å; G321-V323 PolarHBondContact O-N 3.09Å; V323-V328 HydrophobicContact CG1-CG2 3.32Å; V323-I355 HydrophobicContact CB-CG2 4.29Å; V323-R373 HydrophobicContact CG2-CB 3.83Å
324V92.9Very high95.3Very high72 Ų7238 Ų3844%0.43622%0.221SC..  trans-105.1136.1179.5-176.70000109.9K326 D327 V328V324-K326 HydrophobicContact CG1-CB 4.29Å; V324-K326 PolarHBondContact O-N 2.73Å; V324-D327 PolarHBondContact O-N 3.1Å; V324-V328 PolarHBondContact O-N 3.42Å
325P93.9Very high95.3Very high54 Ų5437.6 Ų37.635%0.35122%0.217SC..Hα-helixtrans-53.4-32.3-178.5-27.131.4000115D327 V328 N329 I355P325-D327 PolarHBondContact O-N 3.34Å; P325-V328 PolarHBondContact O-N 3.26Å; P325-N329 PolarHBondContact O-N 3.21Å; P325-N329 PolarHBondContact O-ND2 2.89Å; P325-N329 VanDerWaalsContact O-ND2 3.11Å; P325-I355 HydrophobicContact CB-CD1 4.12Å; P325-I355 HydrophobicContact CG-CD1 3.77Å
326K96.1Very high95.2Very high162 Ų16242.6 Ų42.670%0.70424%0.239SC*.Hα-helixtrans-59.6-45.8177.2-177.6-175.2174.3-1720112V324 N329 A330V324-K326 HydrophobicContact CG1-CB 4.29Å; V324-K326 PolarHBondContact O-N 2.73Å; K326-N329 PolarHBondContact O-N 2.97Å; K326-A330 PolarHBondContact O-N 3.32Å; K326-A330 VanDerWaalsContact O-N 3.08Å
327D96.4Very high95.1Very high80 Ų8047.7 Ų47.743%0.42827%0.27SS..Hα-helixtrans-72.8-34.8-176.8-61.3-21.8000110.7V288 V324 P325 A330 A331V288-D327 HydrophobicContact CB-CB 3.99Å; V288-D327 HydrophobicContact CG1-CB 4.23Å; V288-D327 HydrophobicContact CG2-CB 4.06Å; V324-D327 PolarHBondContact O-N 3.1Å; P325-D327 PolarHBondContact O-N 3.34Å; D327-A330 PolarHBondContact O-N 3.28Å; D327-A331 WeakPolarHBondContact O-CB 3.5Å; D327-A331 PolarHBondContact O-N 2.96Å
328V96.4Very high95Very high0 Ų050.6 Ų50.60%028%0.283CS..Hα-helixtrans-60.9-48.6172.6176.70000111V288 Y319 V323 V324 P325 A330 A331 I332 V353 I355V288-V328 HydrophobicContact CG1-CG2 3.87Å; Y319-V328 HydrophobicContact CD1-CG2 4.35Å; Y319-V328 HydrophobicContact CD2-CG1 4.14Å; Y319-V328 HydrophobicContact CD2-CG2 3.94Å; Y319-V328 HydrophobicContact CE1-CG2 4.23Å; Y319-V328 HydrophobicContact CE2-CB 4.23Å; Y319-V328 HydrophobicContact CE2-CG1 3.38Å; Y319-V328 HydrophobicContact CE2-CG2 3.79Å; Y319-V328 HydrophobicContact CG-CG2 4.22Å; V323-V328 HydrophobicContact CG1-CG2 3.32Å; V324-V328 PolarHBondContact O-N 3.42Å; P325-V328 PolarHBondContact O-N 3.26Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 2.81Å; V328-A331 PolarHBondContact O-N 3.33Å; V328-I332 HydrophobicContact CG1-CD1 3.73Å; V328-I332 HydrophobicContact CG1-CG1 4.39Å; V328-I332 WeakPolarHBondContact O-CG1 3.43Å; V328-I332 PolarHBondContact O-N 3.19Å; V328-V353 HydrophobicContact CG1-CG1 3.74Å; V328-V353 HydrophobicContact CG1-CG2 3.91Å; V328-I355 HydrophobicContact CG2-CD1 4.12Å
329N95.1Very high94.6Very high104 Ų10461.5 Ų61.556%0.55632%0.323SS*.Hα-helixtrans-62-39.4178.6-73.3-36.2000112P325 K326 A333P325-N329 PolarHBondContact O-N 3.21Å; P325-N329 PolarHBondContact O-ND2 2.89Å; P325-N329 VanDerWaalsContact O-ND2 3.11Å; K326-N329 PolarHBondContact O-N 2.97Å; N329-A333 VanDerWaalsContact O-CB 3.31Å; N329-A333 WeakPolarHBondContact O-CB 3.48Å; N329-A333 PolarHBondContact O-N 2.63Å
330A97.4Very high94.3Very high55 Ų5566.4 Ų66.446%0.45535%0.354SS..Hα-helixtrans-66.2-40.8175.600000112.4K326 D327 V328 A333 T334K326-A330 PolarHBondContact O-N 3.32Å; K326-A330 VanDerWaalsContact O-N 3.08Å; D327-A330 PolarHBondContact O-N 3.28Å; V328-A330 VanDerWaalsContact C-N 3.31Å; V328-A330 PolarHBondContact O-N 2.81Å; A330-A333 PolarHBondContact O-N 2.91Å; A330-T334 PolarHBondContact O-N 2.76Å; A330-T334 VanDerWaalsContact O-N 3.09Å; A330-T334 PolarHBondContact O-OG1 2.98Å
331A97Very high94.1Very high2 Ų267.1 Ų67.12%0.01736%0.358CS..Hα-helixtrans-64.3-46.9176.500000111.6V288 A289 T292 D327 V328 A333 T334 I335V288-A331 HydrophobicContact CG1-CB 4.44Å; A289-A331 HydrophobicContact CB-CB 4.42Å; T292-A331 HydrophobicContact CG2-CB 3.92Å; D327-A331 WeakPolarHBondContact O-CB 3.5Å; D327-A331 PolarHBondContact O-N 2.96Å; V328-A331 PolarHBondContact O-N 3.33Å; A331-A333 PolarHBondContact O-N 3.49Å; A331-T334 WeakPolarHBondContact O-CB 3.45Å; A331-T334 PolarHBondContact O-N 2.79Å; A331-T334 VanDerWaalsContact O-N 3.12Å; A331-I335 PolarHBondContact O-N 3.19Å
332I95.8Very high94Very high14 Ų1471.7 Ų71.77%0.07238%0.378CS..Hα-helixtrans-63-42176.9-68.3171.1000111.2M317 V328 T334 I335 K336 F351 V353M317-I332 HydrophobicContact CG-CD1 4.49Å; V328-I332 HydrophobicContact CG1-CD1 3.73Å; V328-I332 HydrophobicContact CG1-CG1 4.39Å; V328-I332 WeakPolarHBondContact O-CG1 3.43Å; V328-I332 PolarHBondContact O-N 3.19Å; I332-T334 PolarHBondContact O-N 2.97Å; I332-I335 WeakPolarHBondContact O-CB 3.33Å; I332-I335 PolarHBondContact O-N 3.27Å; I332-I335 VanDerWaalsContact O-N 3.15Å; I332-K336 WeakPolarHBondContact O-CG 3.4Å; I332-K336 PolarHBondContact O-N 3.22Å; I332-F351 HydrophobicContact CD1-CB 4.48Å; I332-F351 HydrophobicContact CD1-CD1 4.03Å; I332-F351 HydrophobicContact CD1-CG 4.48Å; I332-F351 HydrophobicContact CG1-CD1 4.07Å; I332-F351 HydrophobicContact CG1-CE1 4.25Å; I332-F351 HydrophobicContact CG2-CB 4.29Å; I332-F351 HydrophobicContact CG2-CD1 3.88Å; I332-F351 HydrophobicContact CG2-CD2 3.9Å; I332-F351 HydrophobicContact CG2-CE1 4.09Å; I332-F351 HydrophobicContact CG2-CE2 4.11Å; I332-F351 HydrophobicContact CG2-CG 3.75Å; I332-F351 HydrophobicContact CG2-CZ 4.19Å; I332-V353 HydrophobicContact CD1-CG2 3.44Å; I332-V353 VanDerWaalsContact CD1-CG2 3.44Å
333A94.8Very high94Very high56 Ų5669.4 Ų69.446%0.46336%0.364SS..Hα-helixtrans-57.8-38.6174.900000111.4N329 A330 A331 T337N329-A333 VanDerWaalsContact O-CB 3.31Å; N329-A333 WeakPolarHBondContact O-CB 3.48Å; N329-A333 PolarHBondContact O-N 2.63Å; A330-A333 PolarHBondContact O-N 2.91Å; A331-A333 PolarHBondContact O-N 3.49Å; A333-T337 WeakPolarHBondContact O-CG2 3.01Å
334T95.6Very high93.8Very high69 Ų6969.4 Ų69.442%0.42336%0.364SS..Hα-helixtrans-66.6-44.9175.2-54.50000111.7A330 A331 I332 K336 T337A330-T334 PolarHBondContact O-N 2.76Å; A330-T334 VanDerWaalsContact O-N 3.09Å; A330-T334 PolarHBondContact O-OG1 2.98Å; A331-T334 WeakPolarHBondContact O-CB 3.45Å; A331-T334 PolarHBondContact O-N 2.79Å; A331-T334 VanDerWaalsContact O-N 3.12Å; I332-T334 PolarHBondContact O-N 2.97Å; T334-K336 VanDerWaalsContact C-N 3.31Å; T334-K336 PolarHBondContact O-N 3.05Å; T334-T337 PolarHBondContact O-N 3.22Å; T334-T337 PolarHBondContact O-OG1 3.48Å
335I94.7Very high93.5Very high0 Ų068.9 Ų68.90%036%0.359CS..Hα-helixtrans-54.9-46.5176-69.3-53.6000111.4T292 N293 F296 A331 I332 T337 K338 I341 F343 F351T292-I335 HydrophobicContact CG2-CD1 4.46Å; T292-I335 HydrophobicContact CG2-CG1 3.86Å; N293-I335 WeakPolarHBondContact OD1-CD1 3.19Å; F296-I335 HydrophobicContact CD1-CG2 4.31Å; F296-I335 HydrophobicContact CD2-CD1 3.69Å; F296-I335 HydrophobicContact CD2-CG1 3.92Å; F296-I335 HydrophobicContact CD2-CG2 4.01Å; F296-I335 HydrophobicContact CE1-CG2 4.07Å; F296-I335 HydrophobicContact CE2-CB 4.46Å; F296-I335 HydrophobicContact CE2-CD1 4.23Å; F296-I335 HydrophobicContact CE2-CG1 3.93Å; F296-I335 HydrophobicContact CE2-CG2 3.77Å; F296-I335 HydrophobicContact CG-CD1 4.27Å; F296-I335 HydrophobicContact CG-CG2 4.29Å; F296-I335 HydrophobicContact CZ-CG2 3.81Å; A331-I335 PolarHBondContact O-N 3.19Å; I332-I335 WeakPolarHBondContact O-CB 3.33Å; I332-I335 PolarHBondContact O-N 3.27Å; I332-I335 VanDerWaalsContact O-N 3.15Å; I335-T337 PolarHBondContact O-N 2.87Å; I335-T337 VanDerWaalsContact O-N 3.08Å; I335-K338 HydrophobicContact CD1-CD 4.42Å; I335-K338 WeakPolarHBondContact O-CB 3.22Å; I335-K338 PolarHBondContact O-N 2.92Å; I335-I341 HydrophobicContact CD1-CD1 4.06Å; I335-I341 HydrophobicContact CG2-CD1 3.85Å; I335-I341 HydrophobicContact CG2-CG2 4.29Å; I335-F343 HydrophobicContact CG2-CE2 4.41Å; I335-F343 HydrophobicContact CG2-CZ 4.28Å; I335-F351 HydrophobicContact CG2-CZ 3.82Å
336K92.1Very high93.1Very high108 Ų10870.8 Ų70.847%0.4736%0.359SS..Hα-helixtrans-61.1-19179.3-69.9-173.7176.1-162.70114.1I332 T334 F351I332-K336 WeakPolarHBondContact O-CG 3.4Å; I332-K336 PolarHBondContact O-N 3.22Å; T334-K336 VanDerWaalsContact C-N 3.31Å; T334-K336 PolarHBondContact O-N 3.05Å; K336-F351 VanDerWaalsContact CE-CD2 3.5Å; K336-F351 HydrophobicContact CG-CE2 4.05Å
337T92.6Very high92.3Very high108 Ų10864.5 Ų64.566%0.66334%0.335SS*.Hα-helixtrans-88.8-12.5176.666.90000113.9A333 T334 I335 R339A333-T337 WeakPolarHBondContact O-CG2 3.01Å; T334-T337 PolarHBondContact O-N 3.22Å; T334-T337 PolarHBondContact O-OG1 3.48Å; I335-T337 PolarHBondContact O-N 2.87Å; I335-T337 VanDerWaalsContact O-N 3.08Å; T337-R339 PolarHBondContact O-N 2.89Å
338K93.1Very high90.8Very high61 Ų6165.5 Ų65.527%0.26535%0.346SS..  trans-78.1115-178.2-69.1-169.8178-175.10110.5N293 I335 T340 I341N293-K338 WeakPolarHBondContact OD1-CE 3.36Å; N293-K338 PolarHBondContact OD1-NZ 2.84Å; I335-K338 HydrophobicContact CD1-CD 4.42Å; I335-K338 WeakPolarHBondContact O-CB 3.22Å; I335-K338 PolarHBondContact O-N 2.92Å; K338-T340 PolarHBondContact O-N 2.83Å; K338-T340 VanDerWaalsContact O-N 3.14Å; K338-I341 HydrophobicContact CB-CB 4.48Å; K338-I341 HydrophobicContact CB-CD1 4.02Å; K338-I341 HydrophobicContact CB-CG1 4.17Å; K338-I341 HydrophobicContact CD-CD1 3.77Å; K338-I341 HydrophobicContact CG-CD1 4.47Å; K338-I341 PolarHBondContact O-N 3.47Å
339R89.1Confident89.3Confident237 Ų23771 Ų7189%0.89438%0.38SS*.THydrogen-bonded Turntrans-62.1-21.2178.5-63.3-175.7179.7-169.8-2114.8T337T337-R339 PolarHBondContact O-N 2.89Å
340T89.2Confident88.7Confident105 Ų10566.3 Ų66.364%0.64436%0.356SS*.THydrogen-bonded Turntrans-78.4-9.6177.855.90000113K338K338-T340 PolarHBondContact O-N 2.83Å; K338-T340 VanDerWaalsContact O-N 3.14Å
341I92.3Very high88.4Confident17 Ų1765.3 Ų65.39%0.08734%0.341CS..SBendtrans-114.7107.2179.9-55.9174.6000106.5F296 Y312 I335 K338 F343F296-I341 HydrophobicContact CB-CD1 3.51Å; F296-I341 HydrophobicContact CB-CG1 4.31Å; F296-I341 HydrophobicContact CD1-CD1 3.87Å; F296-I341 HydrophobicContact CD1-CG1 4.39Å; F296-I341 HydrophobicContact CD1-CG2 3.7Å; F296-I341 HydrophobicContact CE1-CG2 3.99Å; F296-I341 HydrophobicContact CG-CD1 3.71Å; Y312-I341 HydrophobicContact CD2-CG2 3.79Å; Y312-I341 HydrophobicContact CE2-CG2 3.8Å; I335-I341 HydrophobicContact CD1-CD1 4.06Å; I335-I341 HydrophobicContact CG2-CD1 3.85Å; I335-I341 HydrophobicContact CG2-CG2 4.29Å; K338-I341 HydrophobicContact CB-CB 4.48Å; K338-I341 HydrophobicContact CB-CD1 4.02Å; K338-I341 HydrophobicContact CB-CG1 4.17Å; K338-I341 HydrophobicContact CD-CD1 3.77Å; K338-I341 HydrophobicContact CG-CD1 4.47Å; K338-I341 PolarHBondContact O-N 3.47Å; I341-F343 HydrophobicContact CB-CE2 4.43Å; I341-F343 HydrophobicContact CG2-CD2 4.33Å; I341-F343 HydrophobicContact CG2-CE2 3.45Å; I341-F343 VanDerWaalsContact CG2-CE2 3.45Å; I341-F343 HydrophobicContact CG2-CZ 3.74Å
342Q92Very high88.1Confident98 Ų9868.2 Ų68.246%0.45835%0.353SS..  trans-100.3137.3-177.7-61.6-172.3-4.600110.2K311 Y312K311-Q342 WeakPolarHBondContact CA-O 3Å; K311-Q342 HydrophobicContact CG-CB 3.97Å; Y312-Q342 WeakPolarHBondContact CD2-O 3.42Å; Y312-Q342 PolarHBondContact N-O 3.17Å
343F92.2Very high88Confident49 Ų4968.5 Ų68.522%0.21536%0.356CS..BIsolated β-bridgetrans-115.8152.2172.8-66.4-91.8000108.2F296 Y312 I335 I341 F351F296-F343 HydrophobicContact CE1-CZ 4.11Å; Y312-F343 HydrophobicContact CD2-CE1 4.45Å; Y312-F343 HydrophobicContact CD2-CZ 4.45Å; Y312-F343 HydrophobicContact CG-CE1 4.21Å; Y312-F343 VanDerWaalsContact O-CA 3.28Å; Y312-F343 WeakPolarHBondContact O-CA 3.37Å; I335-F343 HydrophobicContact CG2-CE2 4.41Å; I335-F343 HydrophobicContact CG2-CZ 4.28Å; I341-F343 HydrophobicContact CB-CE2 4.43Å; I341-F343 HydrophobicContact CG2-CD2 4.33Å; I341-F343 HydrophobicContact CG2-CE2 3.45Å; I341-F343 VanDerWaalsContact CG2-CE2 3.45Å; I341-F343 HydrophobicContact CG2-CZ 3.74Å; F343-F351 HydrophobicContact CD1-CE2 4.36Å; F343-F351 HydrophobicContact CE1-CD2 4.34Å; F343-F351 AromaticContact CE1-CE2 3.47Å; F343-F351 HydrophobicContact CE1-CE2 3.47Å; F343-F351 VanDerWaalsContact CE1-CE2 3.47Å; F343-F351 AromaticContact CE1-CZ 3.78Å; F343-F351 HydrophobicContact CE1-CZ 3.78Å; F343-F351 HydrophobicContact CE2-CE2 4.13Å; F343-F351 HydrophobicContact CE2-CZ 4.36Å; F343-F351 AromaticContact CZ-CE2 3.35Å; F343-F351 HydrophobicContact CZ-CE2 3.35Å; F343-F351 AromaticContact CZ-CZ 3.4Å; F343-F351 HydrophobicContact CZ-CZ 3.4Å; F343-F351 VanDerWaalsContact CZ-CZ 3.4Å
344V91.5Very high87.9Confident7 Ų766.1 Ų66.14%0.04234%0.337CS..  trans-61.7145.9168.1-59.70000110.3K311 Y312 M313 W346 C347K311-V344 HydrophobicContact CB-CG1 3.89Å; K311-V344 HydrophobicContact CD-CG1 4.49Å; Y312-V344 PolarHBondContact O-N 3.23Å; M313-V344 HydrophobicContact CB-CG2 4.43Å; M313-V344 HydrophobicContact CG-CG1 3.74Å; M313-V344 HydrophobicContact CG-CG2 4.35Å; V344-W346 HydrophobicContact CB-CD2 4.23Å; V344-W346 HydrophobicContact CB-CG 4.41Å; V344-W346 HydrophobicContact CB-CZ2 4.03Å; V344-W346 HydrophobicContact CG1-CZ2 4.05Å; V344-W346 HydrophobicContact CG2-CD2 3.8Å; V344-W346 HydrophobicContact CG2-CE3 4.18Å; V344-W346 HydrophobicContact CG2-CG 4.35Å; V344-W346 HydrophobicContact CG2-CH2 4Å; V344-W346 HydrophobicContact CG2-CZ2 3.62Å; V344-W346 HydrophobicContact CG2-CZ3 4.27Å; V344-C347 HydrophobicContact CG2-CB 3.55Å
345D86.8Confident87.8Confident61 Ų6162.9 Ų62.933%0.32632%0.317SS..SBendtrans-76.8-31.6-175.558.6-8.7000113.1C347 S439D345-C347 VanDerWaalsContact C-N 3.31Å; D345-C347 PolarHBondContact O-N 3.03Å; D345-S439 WeakPolarHBondContact OD2-CB 3.24Å; D345-S439 PolarHBondContact OD2-N 3.35Å; D345-S439 PolarHBondContact OD2-OG 3.38Å
346W85.8Confident87.7Confident93 Ų9363.1 Ų63.135%0.35232%0.318SS..SBendtrans-75.7-12.1-179.854.7-101.7000114.4P261 Y262 M313 V344 P348 V435P261-W346 HydrophobicContact CB-CH2 3.77Å; P261-W346 HydrophobicContact CB-CZ3 4.1Å; P261-W346 HydrophobicContact CG-CH2 4.09Å; Y262-W346 HydrophobicContact CE2-CH2 4.44Å; M313-W346 HydrophobicContact CB-CH2 4.18Å; M313-W346 HydrophobicContact CB-CZ2 4.45Å; M313-W346 HydrophobicContact CG-CH2 4.14Å; M313-W346 HydrophobicContact CG-CZ2 3.94Å; M313-W346 HydrophobicContact SD-CH2 4.47Å; M313-W346 HydrophobicContact SD-CZ2 4.29Å; V344-W346 HydrophobicContact CB-CD2 4.23Å; V344-W346 HydrophobicContact CB-CG 4.41Å; V344-W346 HydrophobicContact CB-CZ2 4.03Å; V344-W346 HydrophobicContact CG1-CZ2 4.05Å; V344-W346 HydrophobicContact CG2-CD2 3.8Å; V344-W346 HydrophobicContact CG2-CE3 4.18Å; V344-W346 HydrophobicContact CG2-CG 4.35Å; V344-W346 HydrophobicContact CG2-CH2 4Å; V344-W346 HydrophobicContact CG2-CZ2 3.62Å; V344-W346 HydrophobicContact CG2-CZ3 4.27Å; W346-P348 WeakPolarHBondContact O-CD 3.34Å; W346-V435 HydrophobicContact CZ2-CB 4.24Å; W346-V435 PolarHBondContact NE1-O 2.78Å; W346-V435 VanDerWaalsContact NE1-O 3.16Å
347C78.7Confident87.7Confident30 Ų3064.6 Ų64.620%0.20332%0.322CS..  trans-113.478.9176.9-167.20000112.1M313 V344 D345 T349 G350M313-C347 PolarHBondContact O-SG 3.29Å; M313-C347 VanDerWaalsContact O-SG 3.38Å; V344-C347 HydrophobicContact CG2-CB 3.55Å; D345-C347 VanDerWaalsContact C-N 3.31Å; D345-C347 PolarHBondContact O-N 3.03Å; C347-T349 PolarHBondContact O-N 3.28Å; C347-G350 PolarHBondContact O-N 3.4Å
348P64.6Low87.7Confident102 Ų10263 Ų6366%0.66231%0.307SS*.THydrogen-bonded Turntrans-65.5-25.1-177.425.4-34.2000113.2W346W346-P348 WeakPolarHBondContact O-CD 3.34Å
349T66Low87.7Confident115 Ų11561.7 Ų61.771%0.70630%0.304SS*.THydrogen-bonded Turntrans-101.537.8-178.755.50000112.5C347 F351C347-T349 PolarHBondContact O-N 3.28Å; T349-F351 PolarHBondContact O-N 2.95Å
350G80.7Confident88Confident5 Ų550.6 Ų50.65%0.05226%0.263CS..  trans-63.112.9-176.500000117.1A314 C315 C347A314-G350 CarbonylContact C-O 3.59Å; C315-G350 WeakPolarHBondContact CB-O 3.1Å; C315-G350 PolarHBondContact N-O 3.45Å; C347-G350 PolarHBondContact O-N 3.4Å
351F91.2Very high88.2Confident34 Ų3447 Ų4715%0.14924%0.241CC..EExtended strand (participates in β ladder)trans-125.2127177-76.8-94.7000112.2F296 C315 M317 I332 I335 K336 F343 T349F296-F351 HydrophobicContact CE1-CZ 4.43Å; F296-F351 HydrophobicContact CE2-CE1 4.19Å; F296-F351 HydrophobicContact CE2-CZ 4.43Å; F296-F351 AromaticContact CZ-CE1 3.64Å; F296-F351 HydrophobicContact CZ-CE1 3.64Å; F296-F351 AromaticContact CZ-CZ 3.71Å; F296-F351 HydrophobicContact CZ-CZ 3.71Å; C315-F351 HydrophobicContact CB-CD1 3.88Å; C315-F351 HydrophobicContact CB-CE1 3.89Å; C315-F351 HydrophobicContact CB-CG 4.41Å; C315-F351 HydrophobicContact CB-CZ 4.41Å; C315-F351 CarbonylContact O-C 3.43Å; C315-F351 VanDerWaalsContact O-CA 3.26Å; C315-F351 WeakPolarHBondContact O-CA 3.3Å; M317-F351 HydrophobicContact CG-CD1 3.98Å; M317-F351 HydrophobicContact CG-CE1 4.32Å; M317-F351 HydrophobicContact SD-CE1 4.32Å; I332-F351 HydrophobicContact CD1-CB 4.48Å; I332-F351 HydrophobicContact CD1-CD1 4.03Å; I332-F351 HydrophobicContact CD1-CG 4.48Å; I332-F351 HydrophobicContact CG1-CD1 4.07Å; I332-F351 HydrophobicContact CG1-CE1 4.25Å; I332-F351 HydrophobicContact CG2-CB 4.29Å; I332-F351 HydrophobicContact CG2-CD1 3.88Å; I332-F351 HydrophobicContact CG2-CD2 3.9Å; I332-F351 HydrophobicContact CG2-CE1 4.09Å; I332-F351 HydrophobicContact CG2-CE2 4.11Å; I332-F351 HydrophobicContact CG2-CG 3.75Å; I332-F351 HydrophobicContact CG2-CZ 4.19Å; I335-F351 HydrophobicContact CG2-CZ 3.82Å; K336-F351 VanDerWaalsContact CE-CD2 3.5Å; K336-F351 HydrophobicContact CG-CE2 4.05Å; F343-F351 HydrophobicContact CD1-CE2 4.36Å; F343-F351 HydrophobicContact CE1-CD2 4.34Å; F343-F351 AromaticContact CE1-CE2 3.47Å; F343-F351 HydrophobicContact CE1-CE2 3.47Å; F343-F351 VanDerWaalsContact CE1-CE2 3.47Å; F343-F351 AromaticContact CE1-CZ 3.78Å; F343-F351 HydrophobicContact CE1-CZ 3.78Å; F343-F351 HydrophobicContact CE2-CE2 4.13Å; F343-F351 HydrophobicContact CE2-CZ 4.36Å; F343-F351 AromaticContact CZ-CE2 3.35Å; F343-F351 HydrophobicContact CZ-CE2 3.35Å; F343-F351 AromaticContact CZ-CZ 3.4Å; F343-F351 HydrophobicContact CZ-CZ 3.4Å; F343-F351 VanDerWaalsContact CZ-CZ 3.4Å; T349-F351 PolarHBondContact O-N 2.95Å
352K91.9Very high88.2Confident63 Ų6347.8 Ų47.827%0.27425%0.247SC..EExtended strand (participates in β ladder)trans-112141.3164-177.969.5176.1-161.40108.7V250 E254 N258 C315 C316 M317V250-K352 HydrophobicContact CG2-CG 4.48Å; E254-K352 WeakPolarHBondContact OE2-CE 3.44Å; E254-K352 IonicContact OE2-NZ 2.92Å; E254-K352 PolarHBondContact OE2-NZ 3.2Å; N258-K352 HydrophobicContact CB-CB 4.29Å; N258-K352 HydrophobicContact CB-CG 4.36Å; C315-K352 PolarHBondContact O-N 2.87Å; C316-K352 CarbonylContact C-O 3.54Å; C316-K352 WeakPolarHBondContact CA-O 3.49Å; C316-K352 HydrophobicContact CB-CB 4.39Å; M317-K352 PolarHBondContact N-O 3.43Å
353V93Very high88.2Confident21 Ų2144 Ų4413%0.12723%0.23CC..EExtended strand (participates in β ladder)trans-124.4131.1-178.2175.50000109.4L248 M317 Y319 V328 I332 I355L248-V353 WeakPolarHBondContact CB-O 3.21Å; L248-V353 HydrophobicContact CD1-CB 4.4Å; L248-V353 HydrophobicContact CD1-CG1 4.25Å; M317-V353 WeakPolarHBondContact O-CA 3.26Å; Y319-V353 HydrophobicContact CD2-CG1 4.15Å; Y319-V353 HydrophobicContact CE2-CG1 4.25Å; V328-V353 HydrophobicContact CG1-CG1 3.74Å; V328-V353 HydrophobicContact CG1-CG2 3.91Å; I332-V353 HydrophobicContact CD1-CG2 3.44Å; I332-V353 VanDerWaalsContact CD1-CG2 3.44Å; V353-I355 HydrophobicContact CG1-CD1 4.16Å; V353-I355 HydrophobicContact CG1-CG1 3.9Å
354G93.1Very high88Confident6 Ų646.6 Ų46.66%0.06225%0.252CS..EExtended strand (participates in β ladder)trans-120.1138.2164.400000110.3L248 M317 Y319L248-G354 WeakPolarHBondContact O-CA 3.39Å; M317-G354 PolarHBondContact O-N 3.31Å; Y319-G354 PolarHBondContact N-O 2.95Å
355I94.4Very high87.7Confident1 Ų150.5 Ų50.51%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-128113.2179.5-60.4168.7000108.9G246 A247 Y319 V323 P325 V328 V353 Y357G246-I355 CarbonylContact C-O 3.59Å; G246-I355 WeakPolarHBondContact CA-O 3.36Å; A247-I355 HydrophobicContact CB-CB 4.41Å; A247-I355 PolarHBondContact N-O 3.3Å; A247-I355 CarbonylContact O-C 3.55Å; A247-I355 PolarHBondContact O-N 3.17Å; Y319-I355 HydrophobicContact CD2-CG1 4.37Å; V323-I355 HydrophobicContact CB-CG2 4.29Å; P325-I355 HydrophobicContact CB-CD1 4.12Å; P325-I355 HydrophobicContact CG-CD1 3.77Å; V328-I355 HydrophobicContact CG2-CD1 4.12Å; V353-I355 HydrophobicContact CG1-CD1 4.16Å; V353-I355 HydrophobicContact CG1-CG1 3.9Å; I355-Y357 HydrophobicContact CG2-CD1 4.43Å; I355-Y357 HydrophobicContact CG2-CE1 4.3Å
356N92.5Very high87.7Confident5 Ų548.4 Ų48.43%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-103.3132.6172.7-162-83000110.5A240 F244 D245 Y319 R320 G321 Q358A240-N356 HydrophobicContact CB-CB 4.21Å; A240-N356 PolarHBondContact O-ND2 2.84Å; F244-N356 WeakPolarHBondContact CB-ND2 3.49Å; F244-N356 PolarHBondContact O-ND2 2.96Å; D245-N356 PolarHBondContact O-ND2 3.25Å; Y319-N356 PolarHBondContact O-N 3.13Å; R320-N356 CarbonylContact C-O 3.54Å; R320-N356 WeakPolarHBondContact CA-O 3.17Å; G321-N356 PolarHBondContact N-O 2.92Å; N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 3.36Å; N356-Q358 VanDerWaalsContact OD1-CB 3.24Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.36Å; N356-Q358 PolarHBondContact OD1-N 3.06Å
357Y91.4Very high87.9Confident138 Ų13846.4 Ų46.454%0.54128%0.283SS..SBendtrans-75.9-16.6-176.6-56.6-45.8000113.4A247 G321 I355 P359A247-Y357 HydrophobicContact CB-CE1 4.5Å; A247-Y357 WeakPolarHBondContact CB-OH 3.48Å; G321-Y357 WeakPolarHBondContact CA-O 3.11Å; I355-Y357 HydrophobicContact CG2-CD1 4.43Å; I355-Y357 HydrophobicContact CG2-CE1 4.3Å; Y357-P359 WeakPolarHBondContact O-CD 3.28Å
358Q91.8Very high88.5Confident74 Ų7446.2 Ų46.235%0.34628%0.279SS..SBendtrans-76.5118.8177.5-173.562.117.600109.9F244 R320 G321 N356F244-Q358 HydrophobicContact CB-CB 4.44Å; F244-Q358 HydrophobicContact CD2-CB 4.23Å; F244-Q358 HydrophobicContact CD2-CG 4.38Å; F244-Q358 HydrophobicContact CE2-CG 4.42Å; F244-Q358 HydrophobicContact CG-CB 4.18Å; F244-Q358 HydrophobicContact CG-CG 4.49Å; R320-Q358 PolarHBondContact NE-O 2.78Å; R320-Q358 PolarHBondContact NH2-O 3.42Å; G321-Q358 PolarHBondContact N-O 3.12Å; N356-Q358 VanDerWaalsContact C-N 3.27Å; N356-Q358 PolarHBondContact O-N 3.36Å; N356-Q358 VanDerWaalsContact OD1-CB 3.24Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.36Å; N356-Q358 PolarHBondContact OD1-N 3.06Å
359P94.1Very high89.8Confident34 Ų3441.7 Ų41.722%0.22125%0.251CS..PPolyproline II helixtrans-63.6158.9174.827.6-34.5000111R320 Y357 T361R320-P359 PolarHBondContact NH2-O 2.63Å; Y357-P359 WeakPolarHBondContact O-CD 3.28Å; P359-T361 PolarHBondContact O-N 3.23Å
360P94.5Very high91Very high5 Ų543.7 Ų43.73%0.03225%0.25CC..PPolyproline II helixtrans-59139.3174.4-19.130.7000111.2Y272 R320 V371 A374Y272-P360 WeakPolarHBondContact OH-CB 3.34Å; Y272-P360 WeakPolarHBondContact OH-CG 3.27Å; R320-P360 HydrophobicContact CB-CG 3.85Å; R320-P360 HydrophobicContact CG-CG 4.45Å; P360-V371 HydrophobicContact CG-CG2 4.07Å; P360-A374 HydrophobicContact CG-CB 3.45Å; P360-A374 VanDerWaalsContact CG-CB 3.45Å
361T94.8Very high91.6Very high29 Ų2944 Ų4418%0.17825%0.25CS..PPolyproline II helixtrans-93145.3171.3-64.20000109.5L23 L26 E27 Q233 P359L23-T361 HydrophobicContact CD1-CG2 4.07Å; L23-T361 WeakPolarHBondContact CD1-O 3.32Å; L26-T361 HydrophobicContact CB-CG2 3.76Å; E27-T361 HydrophobicContact CG-CG2 4.29Å; E27-T361 WeakPolarHBondContact CG-OG1 3.26Å; Q233-T361 PolarHBondContact NE2-O 3.42Å; P359-T361 PolarHBondContact O-N 3.23Å
362V91.4Very high91.6Very high34 Ų3448 Ų4821%0.20627%0.27CS..  trans-116.5147.8175-65.30000109.9L368 A369 K370V362-L368 HydrophobicContact CG1-CB 3.97Å; V362-A369 WeakPolarHBondContact CG1-O 3.35Å; V362-K370 HydrophobicContact CG2-CB 4.04Å
363V91.7Very high91.8Very high18 Ų1847.8 Ų47.811%0.10927%0.267CS..  trans-69.9127.7174.9-178.20000108.6E22 L26 G365 G366E22-V363 HydrophobicContact CG-CG1 4.34Å; E22-V363 HydrophobicContact CG-CG2 3.98Å; E22-V363 WeakPolarHBondContact OE1-CG1 3.36Å; L26-V363 HydrophobicContact CD1-CB 4.37Å; L26-V363 HydrophobicContact CD1-CG2 4.09Å; V363-G365 PolarHBondContact O-N 3.41Å; V363-G366 PolarHBondContact O-N 3.42Å
364P88.8Confident92Very high103 Ų10346.8 Ų46.867%0.66926%0.261SS*.THydrogen-bonded Turntrans-54.6128.9175.8-26.434.9000111.8G366P364-G366 PolarHBondContact O-N 2.82Å
365G85.7Confident92.2Very high89 Ų8946.5 Ų46.592%0.91826%0.258SS*.THydrogen-bonded Turntrans738.5-175.700000114.8V363V363-G365 PolarHBondContact O-N 3.41Å
366G86.8Confident92.3Very high17 Ų1746.4 Ų46.418%0.17526%0.258CS..  trans-78.4172.6170.500000113.2V363 P364V363-G366 PolarHBondContact O-N 3.42Å; P364-G366 PolarHBondContact O-N 2.82Å
367D88.8Confident92.5Very high51 Ų5146.2 Ų46.227%0.27326%0.256SS..SBendtrans-80.1-25-172.5-43.4-82000113.6L217 I219 N226 S277 A278L217-D367 HydrophobicContact CD1-CB 4.15Å; I219-D367 HydrophobicContact CD1-CB 3.87Å; N226-D367 PolarHBondContact ND2-OD2 2.66Å; S277-D367 WeakPolarHBondContact CA-O 3.49Å; A278-D367 PolarHBondContact N-O 2.9Å
368L91.6Very high92.7Very high26 Ų2639.6 Ų39.614%0.13623%0.231CC..BIsolated β-bridgetrans-77.8133.5-178.8-71.2168.5000111.1L217 Q233 V275 V362L217-L368 HydrophobicContact CD1-CD2 4.34Å; L217-L368 HydrophobicContact CD2-CD2 3.88Å; Q233-L368 HydrophobicContact CG-CD1 3.73Å; V275-L368 HydrophobicContact CG1-CD2 4.13Å; V362-L368 HydrophobicContact CG1-CB 3.97Å
369A90.9Very high92.9Very high7 Ų736.1 Ų36.16%0.05821%0.214CC..PPolyproline II helixtrans-70.3149.8172.300000112.4I276 A281 V362 V371I276-A369 HydrophobicContact CG2-CB 3.91Å; I276-A369 PolarHBondContact O-N 3.25Å; A281-A369 HydrophobicContact CB-CB 3.41Å; A281-A369 VanDerWaalsContact CB-CB 3.41Å; V362-A369 WeakPolarHBondContact CG1-O 3.35Å; A369-V371 PolarHBondContact O-N 3.46Å
370K91.4Very high93Very high158 Ų15834.5 Ų34.569%0.68720%0.204SC*.PPolyproline II helixtrans-69.1118.4166.8-173.5175.6-177.3176.10109.6V362V362-K370 HydrophobicContact CG2-CB 4.04Å
371V92.9Very high93Very high11 Ų1134.2 Ų34.27%0.06720%0.202CC..  trans-115.6150.5178.9-63.90000111.3P274 I276 L286 P360 A369 R373 A374P274-V371 HydrophobicContact CG-CG1 4.02Å; I276-V371 HydrophobicContact CG2-CG1 3.96Å; L286-V371 HydrophobicContact CD1-CB 4.32Å; L286-V371 HydrophobicContact CD1-CG1 3.8Å; P360-V371 HydrophobicContact CG-CG2 4.07Å; A369-V371 PolarHBondContact O-N 3.46Å; V371-R373 VanDerWaalsContact C-N 3.34Å; V371-R373 WeakPolarHBondContact CG2-O 3.49Å; V371-A374 HydrophobicContact CG2-CB 4.36Å
372Q92.7Very high93Very high119 Ų11933.6 Ų33.656%0.55620%0.198SC*.SBendtrans-83.5-16177.5-63.1-58.6-38.200112.9G321 D322G321-Q372 WeakPolarHBondContact CA-O 3.24Å; D322-Q372 PolarHBondContact N-O 3Å
373R95.2Very high93.3Very high57 Ų5732 Ų3222%0.21519%0.189CC..EExtended strand (participates in β ladder)trans-153.5149.9176.462.8-174.877.4107.6-3.9111.8L286 I291 R320 D322 V323 V371L286-R373 WeakPolarHBondContact O-CD 3.26Å; L286-R373 PolarHBondContact O-NH1 3.09Å; I291-R373 HydrophobicContact CD1-CG 4.14Å; R320-R373 CarbonylContact O-C 3.56Å; R320-R373 WeakPolarHBondContact O-CA 3.44Å; D322-R373 PolarHBondContact O-NE 3.16Å; D322-R373 IonicContact OD2-CZ 3.85Å; D322-R373 IonicContact OD2-NH2 2.75Å; D322-R373 PolarHBondContact OD2-NH2 2.96Å; V323-R373 HydrophobicContact CG2-CB 3.83Å; V371-R373 VanDerWaalsContact C-N 3.34Å; V371-R373 WeakPolarHBondContact CG2-O 3.49Å
374A96.6Very high93.5Very high0 Ų031.3 Ų31.30%018%0.184CC..EExtended strand (participates in β ladder)trans-151.7171.4171.200000110Y272 A273 Y319 R320 P360 V371Y272-A374 HydrophobicContact CE1-CB 4.21Å; Y272-A374 HydrophobicContact CE2-CB 4.29Å; Y272-A374 WeakPolarHBondContact OH-CB 3.5Å; A273-A374 CarbonylContact O-C 3.54Å; A273-A374 VanDerWaalsContact O-CA 3.28Å; A273-A374 WeakPolarHBondContact O-CA 3.34Å; A273-A374 WeakPolarHBondContact O-CB 3.37Å; Y319-A374 CarbonylContact C-O 3.47Å; Y319-A374 WeakPolarHBondContact CA-O 3.33Å; R320-A374 PolarHBondContact N-O 3.3Å; R320-A374 PolarHBondContact O-N 3.05Å; P360-A374 HydrophobicContact CG-CB 3.45Å; P360-A374 VanDerWaalsContact CG-CB 3.45Å; V371-A374 HydrophobicContact CG2-CB 4.36Å
375V97.3Very high93.8Very high0 Ų027.7 Ų27.70%016%0.163CC..EExtended strand (participates in β ladder)trans-141.1132.6175.357.90000109.9A273 I291 C295 M317 L318 Y319A273-V375 HydrophobicContact CB-CG1 4.21Å; A273-V375 PolarHBondContact N-O 3.29Å; A273-V375 PolarHBondContact O-N 3.01Å; I291-V375 HydrophobicContact CB-CG1 3.88Å; I291-V375 HydrophobicContact CD1-CB 4.29Å; I291-V375 HydrophobicContact CD1-CG1 3.98Å; I291-V375 HydrophobicContact CG1-CG1 3.74Å; C295-V375 VanDerWaalsContact SG-CG1 3.52Å; M317-V375 HydrophobicContact CB-CG2 4.36Å; M317-V375 HydrophobicContact CE-CG2 3.72Å; L318-V375 WeakPolarHBondContact O-CA 3.38Å; Y319-V375 HydrophobicContact CD1-CB 3.62Å; Y319-V375 HydrophobicContact CD1-CG2 3.76Å; Y319-V375 HydrophobicContact CD2-CG2 4.24Å; Y319-V375 HydrophobicContact CE1-CB 3.69Å; Y319-V375 HydrophobicContact CE1-CG1 4.23Å; Y319-V375 HydrophobicContact CE1-CG2 3.62Å; Y319-V375 HydrophobicContact CE2-CG2 4.12Å; Y319-V375 HydrophobicContact CG-CB 4.27Å; Y319-V375 HydrophobicContact CG-CG2 4.06Å
376C97.2Very high94.2Very high0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-102.7124.7166.4174.40000107.7I234 T271 Y272 L318I234-C376 HydrophobicContact CD1-CB 4.42Å; I234-C376 VanDerWaalsContact CD1-SG 3.51Å; T271-C376 CarbonylContact O-C 3.46Å; T271-C376 WeakPolarHBondContact O-CA 3.34Å; Y272-C376 HydrophobicContact CD2-CB 4.03Å; Y272-C376 HydrophobicContact CE2-CB 4.45Å; L318-C376 HydrophobicContact CB-CB 4.22Å; L318-C376 WeakPolarHBondContact CB-O 3.37Å; L318-C376 PolarHBondContact N-O 2.93Å; L318-C376 PolarHBondContact O-N 3.23Å
377M97Very high94.6Very high0 Ų025.3 Ų25.30%012%0.124CC..EExtended strand (participates in β ladder)trans-104128.6172.9-179.2177.280.200109.2A270 T271 C295 F296 Y312 C316 M317A270-M377 CarbonylContact C-O 3.51Å; T271-M377 PolarHBondContact N-O 3.42Å; T271-M377 PolarHBondContact O-N 3.15Å; C295-M377 HydrophobicContact CB-CB 3.95Å; C295-M377 HydrophobicContact CB-CE 4.24Å; C295-M377 HydrophobicContact CB-SD 4Å; C295-M377 WeakPolarHBondContact O-CE 3.27Å; F296-M377 HydrophobicContact CD1-CE 4.39Å; F296-M377 HydrophobicContact CD1-SD 4.32Å; F296-M377 HydrophobicContact CD2-SD 4.21Å; F296-M377 HydrophobicContact CE1-CE 4.31Å; F296-M377 HydrophobicContact CE1-SD 3.79Å; F296-M377 HydrophobicContact CE2-SD 3.65Å; F296-M377 HydrophobicContact CZ-CE 4.46Å; F296-M377 HydrophobicContact CZ-SD 3.41Å; F296-M377 WeakPolarHBondContact CZ-SD 3.47Å; Y312-M377 HydrophobicContact CE1-CE 4.47Å; C316-M377 WeakPolarHBondContact O-CA 3.13Å; M317-M377 HydrophobicContact CE-CB 4.24Å; M317-M377 HydrophobicContact CE-CG 4.44Å; M317-M377 HydrophobicContact CE-SD 4.39Å; M317-M377 HydrophobicContact SD-CB 3.89Å; M317-M377 HydrophobicContact SD-CG 3.54Å; M317-M377 VanDerWaalsContact SD-CG 3.54Å; M317-M377 HydrophobicContact SD-SD 3.67Å; M317-M377 VanDerWaalsContact SD-SD 3.67Å
378L96.1Very high94.9Very high0 Ų022.9 Ų22.90%011%0.111CC..EExtended strand (participates in β ladder)trans-107.7120.2166.4-54.5170.1000107.1F202 I238 F255 L259 P268 L269 A270 C315 C316 L318F202-L378 HydrophobicContact CD1-CD1 4.15Å; F202-L378 HydrophobicContact CD1-CD2 3.92Å; F202-L378 HydrophobicContact CE1-CD1 3.63Å; F202-L378 HydrophobicContact CE1-CD2 4.29Å; F202-L378 HydrophobicContact CE1-CG 4.41Å; F202-L378 HydrophobicContact CZ-CD1 4.13Å; I238-L378 HydrophobicContact CD1-CD1 3.77Å; I238-L378 HydrophobicContact CD1-CD2 3.61Å; I238-L378 HydrophobicContact CD1-CG 4.24Å; I238-L378 HydrophobicContact CG1-CD1 3.97Å; I238-L378 HydrophobicContact CG1-CD2 4.24Å; F255-L378 HydrophobicContact CD1-CD1 3.86Å; F255-L378 HydrophobicContact CE1-CD1 3.62Å; F255-L378 HydrophobicContact CZ-CD1 4.44Å; L259-L378 HydrophobicContact CD1-CB 3.79Å; L259-L378 HydrophobicContact CD1-CD1 3.97Å; L259-L378 HydrophobicContact CD2-CB 4.39Å; L259-L378 WeakPolarHBondContact CD2-O 3.47Å; P268-L378 HydrophobicContact CB-CB 4.47Å; L269-L378 CarbonylContact O-C 3.4Å; L269-L378 WeakPolarHBondContact O-CA 3.42Å; A270-L378 HydrophobicContact CB-CD2 4.24Å; C315-L378 CarbonylContact C-O 3.56Å; C315-L378 WeakPolarHBondContact CA-O 2.98Å; C316-L378 HydrophobicContact CB-CB 4.29Å; C316-L378 PolarHBondContact N-O 3.19Å; C316-L378 PolarHBondContact O-N 2.93Å; L318-L378 HydrophobicContact CD1-CD1 4.04Å; L318-L378 HydrophobicContact CD1-CG 4.49Å
379S95.5Very high95.1Very high0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-129.7122.8-174.760.10000111.3P268 L269 A314P268-S379 WeakPolarHBondContact CA-O 3.21Å; L269-S379 PolarHBondContact N-O 3.43Å; L269-S379 PolarHBondContact O-N 2.84Å; A314-S379 CarbonylContact O-C 3.45Å; A314-S379 VanDerWaalsContact O-CA 3.26Å; A314-S379 WeakPolarHBondContact O-CA 3.43Å
380N95.2Very high95.2Very high0 Ų027 Ų270%013%0.133CC..EExtended strand (participates in β ladder)trans-85.8119.1168.2-160.3-11.8000108.3L259 I265 M313 A314L259-N380 WeakPolarHBondContact O-CB 3.47Å; L259-N380 PolarHBondContact O-ND2 3.24Å; I265-N380 PolarHBondContact O-ND2 3.46Å; M313-N380 HydrophobicContact CE-CB 4.32Å; M313-N380 WeakPolarHBondContact CE-OD1 3.49Å; M313-N380 PolarHBondContact N-O 2.74Å; A314-N380 HydrophobicContact CB-CB 4.49Å; A314-N380 PolarHBondContact N-O 3.33Å; A314-N380 PolarHBondContact O-N 3.11Å
381T95.3Very high95.4Very high0 Ų019.7 Ų19.70%010%0.101CC..EExtended strand (participates in β ladder)trans-139.4141.5-172.3176.80000110.3L269 K311 A383 I384L269-T381 HydrophobicContact CD1-CG2 3.36Å; L269-T381 HydrophobicContact CG-CG2 3.92Å; K311-T381 WeakPolarHBondContact O-CA 3.49Å; K311-T381 PolarHBondContact O-OG1 2.89Å; T381-A383 HydrophobicContact CG2-CB 4.16Å; T381-A383 PolarHBondContact O-N 3.05Å; T381-A383 PolarHBondContact OG1-N 3.14Å; T381-I384 VanDerWaalsContact O-CG2 3.23Å; T381-I384 WeakPolarHBondContact O-CG2 3.31Å; T381-I384 PolarHBondContact O-N 3.07Å
382T95.8Very high95.5Very high15 Ų1519.3 Ų19.39%0.09210%0.099CC..G310 helixtrans-67.3-15.8176.863.80000113G310 K311 M313 I384 A385 Y432 V435G310-T382 WeakPolarHBondContact CA-OG1 3.32Å; K311-T382 PolarHBondContact N-OG1 2.68Å; K311-T382 PolarHBondContact O-N 2.89Å; M313-T382 HydrophobicContact CE-CG2 4.01Å; M313-T382 HydrophobicContact CG-CG2 4.44Å; M313-T382 HydrophobicContact SD-CG2 4.24Å; T382-I384 PolarHBondContact O-N 2.63Å; T382-I384 VanDerWaalsContact O-N 3.1Å; T382-A385 VanDerWaalsContact O-CB 3.26Å; T382-A385 WeakPolarHBondContact O-CB 3.36Å; T382-A385 PolarHBondContact O-N 2.9Å; T382-Y432 HydrophobicContact CG2-CD1 4.44Å; T382-Y432 VanDerWaalsContact CG2-O 3.31Å; T382-Y432 WeakPolarHBondContact CG2-O 3.35Å; T382-V435 HydrophobicContact CG2-CG2 3.8Å
383A95.8Very high95.7Very high2 Ų219.2 Ų19.22%0.01710%0.098CC..G310 helixtrans-60.9-20.4175.300000113.4C305 D306 T381 A385 E386C305-A383 HydrophobicContact CB-CB 4.43Å; C305-A383 WeakPolarHBondContact CB-O 3.43Å; D306-A383 WeakPolarHBondContact O-CB 3.27Å; T381-A383 HydrophobicContact CG2-CB 4.16Å; T381-A383 PolarHBondContact O-N 3.05Å; T381-A383 PolarHBondContact OG1-N 3.14Å; A383-A385 PolarHBondContact O-N 2.84Å; A383-E386 WeakPolarHBondContact O-CB 3.45Å; A383-E386 PolarHBondContact O-N 3.42Å
384I96Very high95.6Very high2 Ų219.6 Ų19.61%0.0110%0.101CC..G310 helixtrans-62-21.2174.5-163.2173.8000112.7M203 F267 L269 T381 T382 E386 A387 W388 Y432M203-I384 HydrophobicContact CG-CD1 4.12Å; F267-I384 HydrophobicContact CB-CD1 3.55Å; F267-I384 WeakPolarHBondContact O-CD1 3.1Å; L269-I384 HydrophobicContact CD2-CB 4.3Å; L269-I384 HydrophobicContact CD2-CD1 3.61Å; L269-I384 HydrophobicContact CD2-CG1 3.96Å; T381-I384 VanDerWaalsContact O-CG2 3.23Å; T381-I384 WeakPolarHBondContact O-CG2 3.31Å; T381-I384 PolarHBondContact O-N 3.07Å; T382-I384 PolarHBondContact O-N 2.63Å; T382-I384 VanDerWaalsContact O-N 3.1Å; I384-E386 PolarHBondContact O-N 3.21Å; I384-E386 VanDerWaalsContact O-N 3.12Å; I384-A387 HydrophobicContact CG1-CB 4.39Å; I384-A387 WeakPolarHBondContact O-CA 3.32Å; I384-A387 VanDerWaalsContact O-CB 3.29Å; I384-A387 WeakPolarHBondContact O-CB 3.29Å; I384-A387 PolarHBondContact O-N 3.32Å; I384-W388 HydrophobicContact CD1-CH2 4.24Å; I384-W388 HydrophobicContact CD1-CZ2 3.48Å; I384-W388 VanDerWaalsContact CD1-CZ2 3.48Å; I384-W388 HydrophobicContact CG1-CZ2 3.85Å; I384-W388 PolarHBondContact O-N 3.23Å; I384-Y432 HydrophobicContact CG2-CD1 3.88Å; I384-Y432 HydrophobicContact CG2-CD2 4.3Å; I384-Y432 HydrophobicContact CG2-CE1 3.37Å; I384-Y432 HydrophobicContact CG2-CE2 3.92Å; I384-Y432 HydrophobicContact CG2-CG 4.3Å; I384-Y432 VanDerWaalsContact CG2-CZ 3.45Å
385A95.3Very high95.6Very high27 Ų2719.7 Ų19.722%0.22310%0.102CC..Hα-helixtrans-54-30.817300000113.2T382 A383 A387 W388 A389T382-A385 VanDerWaalsContact O-CB 3.26Å; T382-A385 WeakPolarHBondContact O-CB 3.36Å; T382-A385 PolarHBondContact O-N 2.9Å; A383-A385 PolarHBondContact O-N 2.84Å; A385-A387 PolarHBondContact O-N 2.9Å; A385-W388 PolarHBondContact O-N 3.42Å; A385-A389 WeakPolarHBondContact O-CB 3.18Å; A385-A389 PolarHBondContact O-N 3.46Å
386E94.6Very high95.6Very high55 Ų5522.9 Ų22.926%0.25712%0.119SC..Hα-helixtrans-63-31173.5-61.9-172.4155.700113.2C305 D306 H309 A383 I384 R390C305-E386 VanDerWaalsContact CA-OE2 3.27Å; C305-E386 WeakPolarHBondContact CA-OE2 3.4Å; C305-E386 HydrophobicContact CB-CB 4.09Å; C305-E386 WeakPolarHBondContact CB-OE2 3.2Å; D306-E386 PolarHBondContact N-OE2 3.48Å; H309-E386 WeakPolarHBondContact CB-OE1 3.35Å; H309-E386 IonicContact CE1-OE1 3.8Å; H309-E386 IonicContact CG-OE1 3.77Å; H309-E386 IonicContact ND1-OE1 3.94Å; H309-E386 PolarHBondContact ND1-OE1 3.06Å; A383-E386 WeakPolarHBondContact O-CB 3.45Å; A383-E386 PolarHBondContact O-N 3.42Å; I384-E386 PolarHBondContact O-N 3.21Å; I384-E386 VanDerWaalsContact O-N 3.12Å; E386-R390 VanDerWaalsContact O-CG 3.27Å; E386-R390 WeakPolarHBondContact O-CG 3.3Å; E386-R390 PolarHBondContact O-N 3.29Å; E386-R390 PolarHBondContact O-NE 2.83Å; E386-R390 PolarHBondContact O-NH1 3.43Å
387A95.1Very high95.6Very high2 Ų227.5 Ų27.52%0.01714%0.143CC..Hα-helixtrans-73.1-42.5178.200000111.1Y172 I384 A385 L391Y172-A387 HydrophobicContact CD1-CB 4.37Å; Y172-A387 HydrophobicContact CE1-CB 4.04Å; I384-A387 HydrophobicContact CG1-CB 4.39Å; I384-A387 WeakPolarHBondContact O-CA 3.32Å; I384-A387 VanDerWaalsContact O-CB 3.29Å; I384-A387 WeakPolarHBondContact O-CB 3.29Å; I384-A387 PolarHBondContact O-N 3.32Å; A385-A387 PolarHBondContact O-N 2.9Å; A387-L391 PolarHBondContact O-N 3.35Å
388W95.5Very high95.5Very high0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-59.8-52.4174-49.1141.8000110.9Y172 T191 M203 F267 I384 A385 R390 L391 D392 L425 L428 E429 Y432Y172-W388 HydrophobicContact CD2-CZ3 4.32Å; Y172-W388 HydrophobicContact CE1-CE3 4.15Å; Y172-W388 HydrophobicContact CE1-CZ3 4.01Å; Y172-W388 HydrophobicContact CE2-CE3 4.15Å; Y172-W388 HydrophobicContact CE2-CH2 4.07Å; Y172-W388 AromaticContact CE2-CZ3 3.34Å; Y172-W388 HydrophobicContact CE2-CZ3 3.34Å; Y172-W388 AromaticContact CZ-CE3 3.5Å; Y172-W388 VanDerWaalsContact CZ-CE3 3.5Å; Y172-W388 AromaticContact CZ-CZ3 3.16Å; Y172-W388 WeakPolarHBondContact OH-CZ3 3.07Å; T191-W388 HydrophobicContact CG2-CZ3 4.13Å; M203-W388 HydrophobicContact CE-CH2 4.05Å; F267-W388 HydrophobicContact CB-CH2 4.41Å; F267-W388 HydrophobicContact CB-CZ2 3.92Å; F267-W388 AromaticContact CD1-CH2 3.68Å; F267-W388 HydrophobicContact CD1-CH2 3.68Å; F267-W388 AromaticContact CD1-CZ2 3.96Å; F267-W388 HydrophobicContact CD1-CZ2 3.96Å; F267-W388 HydrophobicContact CD2-CH2 4.32Å; F267-W388 AromaticContact CD2-CZ2 3.89Å; F267-W388 HydrophobicContact CD2-CZ2 3.89Å; F267-W388 AromaticContact CE1-CH2 3.93Å; F267-W388 HydrophobicContact CE1-CH2 3.93Å; F267-W388 HydrophobicContact CE1-CZ2 4.44Å; F267-W388 HydrophobicContact CE2-CZ2 4.4Å; F267-W388 AromaticContact CG-CH2 3.89Å; F267-W388 HydrophobicContact CG-CH2 3.89Å; F267-W388 AromaticContact CG-CZ2 3.65Å; F267-W388 HydrophobicContact CG-CZ2 3.65Å; F267-W388 HydrophobicContact CZ-CH2 4.36Å; I384-W388 HydrophobicContact CD1-CH2 4.24Å; I384-W388 HydrophobicContact CD1-CZ2 3.48Å; I384-W388 VanDerWaalsContact CD1-CZ2 3.48Å; I384-W388 HydrophobicContact CG1-CZ2 3.85Å; I384-W388 PolarHBondContact O-N 3.23Å; A385-W388 PolarHBondContact O-N 3.42Å; W388-R390 PolarHBondContact O-N 3.2Å; W388-R390 VanDerWaalsContact O-N 3.12Å; W388-L391 WeakPolarHBondContact O-CA 3.38Å; W388-L391 WeakPolarHBondContact O-CB 3.44Å; W388-L391 PolarHBondContact O-N 2.83Å; W388-D392 PolarHBondContact O-N 3.31Å; W388-L425 HydrophobicContact CB-CD1 4.05Å; W388-L425 HydrophobicContact CB-CG 4.42Å; W388-L425 HydrophobicContact CD2-CD1 3.95Å; W388-L425 HydrophobicContact CE3-CD1 3.74Å; W388-L425 HydrophobicContact CG-CD1 4.04Å; W388-L425 HydrophobicContact CZ3-CD1 4.45Å; W388-L428 HydrophobicContact CD2-CD2 4.5Å; W388-L428 HydrophobicContact CZ2-CD2 4.26Å; W388-E429 HydrophobicContact CB-CG 3.55Å; W388-E429 WeakPolarHBondContact CB-OE1 3.4Å; W388-E429 HydrophobicContact CG-CG 4.29Å; W388-Y432 AromaticContact NE1-CD2 3.77Å; W388-Y432 AromaticContact NE1-CE2 3.54Å
389A95.3Very high95.6Very high44 Ų4431.5 Ų31.536%0.36416%0.16SC..Hα-helixtrans-60.9-33.8-174.600000112.7A385 H393 E429A385-A389 WeakPolarHBondContact O-CB 3.18Å; A385-A389 PolarHBondContact O-N 3.46Å; A389-H393 WeakPolarHBondContact O-CB 3.08Å; A389-H393 PolarHBondContact O-N 3.36Å; A389-E429 WeakPolarHBondContact CA-OE1 3.44Å; A389-E429 PolarHBondContact N-OE1 3.18Å
390R94.3Very high95.7Very high74 Ų7435.6 Ų35.628%0.27919%0.194SC..Hα-helixtrans-70.3-37.7174.1-72.6-175-46.3-107.46.7112.5K304 E386 W388 K394K304-R390 VanDerWaalsContact O-CZ 3.28Å; K304-R390 PolarHBondContact O-NH1 3.41Å; K304-R390 PolarHBondContact O-NH2 2.94Å; E386-R390 VanDerWaalsContact O-CG 3.27Å; E386-R390 WeakPolarHBondContact O-CG 3.3Å; E386-R390 PolarHBondContact O-N 3.29Å; E386-R390 PolarHBondContact O-NE 2.83Å; E386-R390 PolarHBondContact O-NH1 3.43Å; W388-R390 PolarHBondContact O-N 3.2Å; W388-R390 VanDerWaalsContact O-N 3.12Å; R390-K394 WeakPolarHBondContact O-CG 3.46Å; R390-K394 PolarHBondContact O-N 3.22Å
391L94.7Very high95.7Very high5 Ų543.7 Ų43.73%0.02623%0.23CC..Hα-helixtrans-67-47.1177.2-170.866000110.3Y172 P173 P184 S187 I188 A387 W388 H393 K394 F395 L425Y172-L391 WeakPolarHBondContact OH-CD2 3.41Å; P173-L391 HydrophobicContact CB-CD1 4.29Å; P173-L391 HydrophobicContact CG-CD1 4.12Å; P184-L391 HydrophobicContact CB-CD1 4.1Å; S187-L391 VanDerWaalsContact CB-CD2 3.5Å; I188-L391 HydrophobicContact CD1-CD2 4.37Å; I188-L391 HydrophobicContact CD1-CG 4.18Å; I188-L391 HydrophobicContact CG1-CD2 3.81Å; I188-L391 HydrophobicContact CG1-CG 4.16Å; A387-L391 PolarHBondContact O-N 3.35Å; W388-L391 WeakPolarHBondContact O-CA 3.38Å; W388-L391 WeakPolarHBondContact O-CB 3.44Å; W388-L391 PolarHBondContact O-N 2.83Å; L391-H393 VanDerWaalsContact C-N 3.34Å; L391-H393 PolarHBondContact O-N 3.2Å; L391-K394 WeakPolarHBondContact O-CB 3.31Å; L391-K394 PolarHBondContact O-N 2.88Å; L391-K394 VanDerWaalsContact O-N 3.11Å; L391-F395 WeakPolarHBondContact O-CB 3.48Å; L391-F395 PolarHBondContact O-N 3.18Å; L391-L425 HydrophobicContact CD2-CD2 4.25Å
392D95.7Very high95.8Very high4 Ų450.8 Ų50.82%0.02126%0.256CS..Hα-helixtrans-53.6-49.3175-91.8-0.2000111.8W388 K394 F395 D396 R422 L425W388-D392 PolarHBondContact O-N 3.31Å; D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 PolarHBondContact O-N 2.95Å; D392-F395 WeakPolarHBondContact O-CB 3.5Å; D392-F395 PolarHBondContact O-N 3.49Å; D392-D396 WeakPolarHBondContact O-CB 3.5Å; D392-D396 PolarHBondContact O-N 2.8Å; D392-R422 VanDerWaalsContact CG-NH2 3.32Å; D392-R422 IonicContact OD1-CZ 3.82Å; D392-R422 IonicContact OD1-NE 2.81Å; D392-R422 IonicContact OD1-NH1 3.89Å; D392-R422 PolarHBondContact OD1-NH1 3.09Å; D392-R422 IonicContact OD1-NH2 3.78Å; D392-R422 IonicContact OD2-CZ 2.75Å; D392-R422 IonicContact OD2-NE 3.69Å; D392-R422 IonicContact OD2-NH1 3.85Å; D392-R422 PolarHBondContact OD2-NH1 3.17Å; D392-R422 IonicContact OD2-NH2 3.54Å; D392-R422 PolarHBondContact OD2-NH2 3.37Å; D392-L425 VanDerWaalsContact OD1-CD2 3.3Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.36Å
393H95.5Very high95.8Very high117 Ų11751.6 Ų51.654%0.54226%0.264SS..Hα-helixtrans-58.2-43.9176.8-177.963.6000112.7A389 L391 L397A389-H393 WeakPolarHBondContact O-CB 3.08Å; A389-H393 PolarHBondContact O-N 3.36Å; L391-H393 VanDerWaalsContact C-N 3.34Å; L391-H393 PolarHBondContact O-N 3.2Å; H393-L397 WeakPolarHBondContact NE2-CD1 3.39Å; H393-L397 VanDerWaalsContact O-CG 3.29Å; H393-L397 WeakPolarHBondContact O-CG 3.44Å; H393-L397 PolarHBondContact O-N 3.26Å
394K94.9Very high95.9Very high65 Ų6554.3 Ų54.328%0.28328%0.276SS..Hα-helixtrans-65.2-42.3177.9-72.2176.7179.1-177.60111.1A174 P175 P184 R390 L391 D392 M398A174-K394 PolarHBondContact O-NZ 2.64Å; P175-K394 PolarHBondContact O-NZ 3.26Å; P184-K394 HydrophobicContact CB-CB 4.1Å; P184-K394 HydrophobicContact CG-CB 3.77Å; P184-K394 HydrophobicContact CG-CD 4.37Å; R390-K394 WeakPolarHBondContact O-CG 3.46Å; R390-K394 PolarHBondContact O-N 3.22Å; L391-K394 WeakPolarHBondContact O-CB 3.31Å; L391-K394 PolarHBondContact O-N 2.88Å; L391-K394 VanDerWaalsContact O-N 3.11Å; D392-K394 VanDerWaalsContact C-N 3.33Å; D392-K394 PolarHBondContact O-N 2.95Å; K394-M398 WeakPolarHBondContact O-CG 3.49Å; K394-M398 PolarHBondContact O-N 3.07Å
395F96.4Very high95.9Very high1 Ų154.4 Ų54.40%0.00428%0.276CS..Hα-helixtrans-60.4-51.6176.3176.8-80.5000111.7P184 Y185 I188 L391 D392 L397 M398 Y399 F418 R422P184-F395 HydrophobicContact CB-CB 4.37Å; Y185-F395 AromaticContact CD1-CD2 3.39Å; Y185-F395 HydrophobicContact CD1-CD2 3.39Å; Y185-F395 AromaticContact CD1-CE2 3.48Å; Y185-F395 HydrophobicContact CD1-CE2 3.48Å; Y185-F395 VanDerWaalsContact CD1-CE2 3.48Å; Y185-F395 HydrophobicContact CD1-CG 4.28Å; Y185-F395 HydrophobicContact CD1-CZ 4.43Å; Y185-F395 AromaticContact CE1-CD2 3.79Å; Y185-F395 HydrophobicContact CE1-CD2 3.79Å; Y185-F395 AromaticContact CE1-CE2 3.82Å; Y185-F395 HydrophobicContact CE1-CE2 3.82Å; Y185-F395 HydrophobicContact CE1-CG 4.33Å; Y185-F395 HydrophobicContact CE1-CZ 4.38Å; I188-F395 HydrophobicContact CB-CD2 4.13Å; I188-F395 HydrophobicContact CB-CE2 4.34Å; I188-F395 HydrophobicContact CD1-CB 3.27Å; I188-F395 HydrophobicContact CD1-CD1 4.19Å; I188-F395 HydrophobicContact CD1-CD2 3.22Å; I188-F395 HydrophobicContact CD1-CE2 4.07Å; I188-F395 HydrophobicContact CD1-CG 3.31Å; I188-F395 HydrophobicContact CG1-CD2 4.24Å; I188-F395 HydrophobicContact CG2-CD2 4.24Å; I188-F395 HydrophobicContact CG2-CE2 4.02Å; L391-F395 WeakPolarHBondContact O-CB 3.48Å; L391-F395 PolarHBondContact O-N 3.18Å; D392-F395 WeakPolarHBondContact O-CB 3.5Å; D392-F395 PolarHBondContact O-N 3.49Å; F395-L397 VanDerWaalsContact C-N 3.28Å; F395-L397 PolarHBondContact O-N 3.41Å; F395-M398 WeakPolarHBondContact O-CA 3.45Å; F395-M398 WeakPolarHBondContact O-CB 3.25Å; F395-M398 PolarHBondContact O-N 3.4Å; F395-Y399 HydrophobicContact CE1-CD1 4.13Å; F395-Y399 AromaticContact CE1-CG 3.9Å; F395-Y399 HydrophobicContact CE1-CG 3.9Å; F395-Y399 HydrophobicContact CZ-CD2 4.31Å; F395-Y399 HydrophobicContact CZ-CG 4.16Å; F395-Y399 WeakPolarHBondContact O-CB 3.46Å; F395-Y399 PolarHBondContact O-N 3.36Å; F395-F418 AromaticContact CE2-CD1 3.87Å; F395-F418 HydrophobicContact CE2-CD1 3.87Å; F395-F418 HydrophobicContact CZ-CB 4.15Å; F395-F418 HydrophobicContact CZ-CD1 4.08Å; F395-F418 WeakPolarHBondContact CZ-O 3.14Å; F395-R422 HydrophobicContact CD1-CB 4.39Å; F395-R422 HydrophobicContact CD1-CG 3.99Å; F395-R422 HydrophobicContact CE1-CB 3.74Å; F395-R422 HydrophobicContact CE1-CG 3.67Å; F395-R422 HydrophobicContact CZ-CB 3.93Å; F395-R422 HydrophobicContact CZ-CG 4.36Å
396D97.5Very high96Very high67 Ų6759.2 Ų59.236%0.35829%0.294SS..Hα-helixtrans-60-40.8-175.8-69.2-23.1000111D392 M398 Y399 A400 R422D392-D396 WeakPolarHBondContact O-CB 3.5Å; D392-D396 PolarHBondContact O-N 2.8Å; D396-M398 VanDerWaalsContact C-N 3.31Å; D396-M398 PolarHBondContact O-N 2.98Å; D396-Y399 PolarHBondContact O-N 3.17Å; D396-A400 WeakPolarHBondContact O-CB 3.24Å; D396-A400 PolarHBondContact O-N 3.24Å; D396-R422 IonicContact OD1-CZ 2.7Å; D396-R422 IonicContact OD1-NE 3.88Å; D396-R422 PolarHBondContact OD1-NE 3.02Å; D396-R422 IonicContact OD1-NH2 2.98Å; D396-R422 IonicContact OD2-CZ 2.68Å; D396-R422 IonicContact OD2-NE 3.7Å; D396-R422 IonicContact OD2-NH2 3.34Å; D396-R422 PolarHBondContact OD2-NH2 2.84Å
397L96Very high96.1Very high98 Ų9862.4 Ų62.451%0.51330%0.304SS..Hα-helixtrans-61.3-37.6175.1-73.6177.5000113.2H393 F395H393-L397 WeakPolarHBondContact NE2-CD1 3.39Å; H393-L397 VanDerWaalsContact O-CG 3.29Å; H393-L397 WeakPolarHBondContact O-CG 3.44Å; H393-L397 PolarHBondContact O-N 3.26Å; F395-L397 VanDerWaalsContact C-N 3.28Å; F395-L397 PolarHBondContact O-N 3.41Å
398M95.9Very high96.3Very high30 Ų3062.3 Ų62.315%0.14830%0.303CS..Hα-helixtrans-76.6-46.5178.7-69179.761.700111.4V181 P184 Y185 K394 F395 D396 K401 R402 A403 F404V181-M398 VanDerWaalsContact O-CE 3.31Å; V181-M398 WeakPolarHBondContact O-CE 3.37Å; P184-M398 HydrophobicContact CB-SD 4.18Å; P184-M398 HydrophobicContact CG-SD 3.81Å; Y185-M398 HydrophobicContact CD2-CE 4.43Å; Y185-M398 HydrophobicContact CE1-CB 3.98Å; Y185-M398 HydrophobicContact CE2-CE 4.19Å; Y185-M398 VanDerWaalsContact OH-C 3.25Å; Y185-M398 PolarHBondContact OH-O 2.93Å; K394-M398 WeakPolarHBondContact O-CG 3.49Å; K394-M398 PolarHBondContact O-N 3.07Å; F395-M398 WeakPolarHBondContact O-CA 3.45Å; F395-M398 WeakPolarHBondContact O-CB 3.25Å; F395-M398 PolarHBondContact O-N 3.4Å; D396-M398 VanDerWaalsContact C-N 3.31Å; D396-M398 PolarHBondContact O-N 2.98Å; M398-K401 PolarHBondContact O-N 3.26Å; M398-R402 PolarHBondContact O-N 3.06Å; M398-A403 WeakPolarHBondContact O-CB 3.48Å; M398-A403 PolarHBondContact O-N 3.43Å; M398-F404 HydrophobicContact CE-CD2 3.79Å; M398-F404 HydrophobicContact CE-CE2 4.3Å
399Y97.1Very high96.4Very high53 Ų5365.1 Ų65.121%0.20832%0.32CS..Hα-helixtrans-70.2-37.6-174.5-167-114000112.1Y185 F395 D396 K401 R402 V405 F418 S419Y185-Y399 HydrophobicContact CE1-CD2 4.4Å; Y185-Y399 VanDerWaalsContact OH-CA 3.31Å; Y185-Y399 WeakPolarHBondContact OH-CA 3.36Å; Y185-Y399 PolarHBondContact OH-N 3.06Å; F395-Y399 HydrophobicContact CE1-CD1 4.13Å; F395-Y399 AromaticContact CE1-CG 3.9Å; F395-Y399 HydrophobicContact CE1-CG 3.9Å; F395-Y399 HydrophobicContact CZ-CD2 4.31Å; F395-Y399 HydrophobicContact CZ-CG 4.16Å; F395-Y399 WeakPolarHBondContact O-CB 3.46Å; F395-Y399 PolarHBondContact O-N 3.36Å; D396-Y399 PolarHBondContact O-N 3.17Å; Y399-K401 PolarHBondContact O-N 3.34Å; Y399-K401 VanDerWaalsContact O-N 3.07Å; Y399-R402 WeakPolarHBondContact O-CA 3.33Å; Y399-R402 PolarHBondContact O-N 2.88Å; Y399-V405 HydrophobicContact CD2-CG2 3.82Å; Y399-V405 HydrophobicContact CE2-CG2 3.99Å; Y399-F418 HydrophobicContact CD2-CB 4.37Å; Y399-F418 HydrophobicContact CD2-CG 4.46Å; Y399-F418 HydrophobicContact CE2-CB 3.69Å; Y399-F418 HydrophobicContact CE2-CD2 4.17Å; Y399-F418 AromaticContact CE2-CG 3.96Å; Y399-F418 HydrophobicContact CE2-CG 3.96Å; Y399-S419 PolarHBondContact OH-OG 2.85Å
400A96.9Very high96.5Very high87 Ų8766.2 Ų66.272%0.71934%0.335SS*.THydrogen-bonded Turntrans-57.4-26.3173.200000113.1D396D396-A400 WeakPolarHBondContact O-CB 3.24Å; D396-A400 PolarHBondContact O-N 3.24Å
401K96.9Very high96.6Very high170 Ų17064.8 Ų64.874%0.73933%0.332SS*.THydrogen-bonded Turntrans-96.90175.6-64.7-180-178.1173.20113.3M398 Y399 A403M398-K401 PolarHBondContact O-N 3.26Å; Y399-K401 PolarHBondContact O-N 3.34Å; Y399-K401 VanDerWaalsContact O-N 3.07Å; K401-A403 HydrophobicContact CB-CB 4.47Å; K401-A403 PolarHBondContact O-N 3.17Å; K401-A403 VanDerWaalsContact O-N 3.12Å
402R96.4Very high96.6Very high149 Ų14967.2 Ų67.256%0.56236%0.358SS*.THydrogen-bonded Turntrans49.731.8-169.3-55-176.674.2-163.62.5112.2M398 Y399 F404 V405 E415M398-R402 PolarHBondContact O-N 3.06Å; Y399-R402 WeakPolarHBondContact O-CA 3.33Å; Y399-R402 PolarHBondContact O-N 2.88Å; R402-F404 PolarHBondContact O-N 2.85Å; R402-V405 HydrophobicContact CB-CG2 4.26Å; R402-E415 IonicContact CZ-OE1 3.99Å; R402-E415 IonicContact CZ-OE2 2.78Å; R402-E415 IonicContact NE-OE1 3.97Å; R402-E415 PolarHBondContact NE-OE1 3.22Å; R402-E415 VanDerWaalsContact NE-OE1 3.13Å; R402-E415 IonicContact NH2-OE1 2.85Å; R402-E415 PolarHBondContact NH2-OE1 3.48Å; R402-E415 IonicContact NH2-OE2 2.68Å; R402-E415 PolarHBondContact NH2-OE2 3.35Å
403A96.9Very high96.8Very high31 Ų3167.1 Ų67.126%0.25636%0.358SS..THydrogen-bonded Turntrans-64.5129.1-179.300000108.5Y185 M398 K401 V405Y185-A403 WeakPolarHBondContact CE2-O 3.26Å; Y185-A403 PolarHBondContact OH-O 3.45Å; M398-A403 WeakPolarHBondContact O-CB 3.48Å; M398-A403 PolarHBondContact O-N 3.43Å; K401-A403 HydrophobicContact CB-CB 4.47Å; K401-A403 PolarHBondContact O-N 3.17Å; K401-A403 VanDerWaalsContact O-N 3.12Å; A403-V405 PolarHBondContact O-N 2.83Å
404F96.7Very high96.8Very high59 Ų5968.4 Ų68.426%0.25936%0.364SS..THydrogen-bonded Turntrans59.4-2.4179-48.3-77.4000117.3V181 V182 Y185 M398 R402 H406 W407V181-F404 HydrophobicContact CG1-CD2 4.34Å; V181-F404 HydrophobicContact CG1-CE2 3.47Å; V181-F404 VanDerWaalsContact CG1-CE2 3.47Å; V181-F404 HydrophobicContact CG1-CZ 3.73Å; V182-F404 HydrophobicContact CG1-CB 3.72Å; V182-F404 HydrophobicContact CG1-CD1 4.23Å; V182-F404 HydrophobicContact CG1-CD2 3.98Å; V182-F404 HydrophobicContact CG1-CG 3.71Å; Y185-F404 HydrophobicContact CE2-CB 4.35Å; M398-F404 HydrophobicContact CE-CD2 3.79Å; M398-F404 HydrophobicContact CE-CE2 4.3Å; R402-F404 PolarHBondContact O-N 2.85Å; F404-H406 PolarHBondContact O-N 3.12Å; F404-H406 VanDerWaalsContact O-N 3.16Å; F404-W407 HydrophobicContact CB-CD2 4.35Å; F404-W407 HydrophobicContact CB-CE3 4.44Å; F404-W407 AromaticContact CD1-CD2 3.85Å; F404-W407 HydrophobicContact CD1-CD2 3.85Å; F404-W407 AromaticContact CD1-CE2 3.74Å; F404-W407 AromaticContact CD1-CE3 3.82Å; F404-W407 HydrophobicContact CD1-CE3 3.82Å; F404-W407 AromaticContact CD1-CH2 3.65Å; F404-W407 HydrophobicContact CD1-CH2 3.65Å; F404-W407 AromaticContact CD1-CZ2 3.66Å; F404-W407 HydrophobicContact CD1-CZ2 3.66Å; F404-W407 AromaticContact CD1-CZ3 3.73Å; F404-W407 HydrophobicContact CD1-CZ3 3.73Å; F404-W407 AromaticContact CE1-CH2 3.69Å; F404-W407 HydrophobicContact CE1-CH2 3.69Å; F404-W407 AromaticContact CE1-CZ2 3.86Å; F404-W407 HydrophobicContact CE1-CZ2 3.86Å; F404-W407 HydrophobicContact CE1-CZ3 4.1Å; F404-W407 VanDerWaalsContact O-CB 3.26Å; F404-W407 WeakPolarHBondContact O-CB 3.43Å; F404-W407 PolarHBondContact O-N 2.81Å
405V97.1Very high96.9Very high4 Ų468.4 Ų68.42%0.02437%0.365CS..Hα-helixtrans-53.7-40.9-179.7174.50000111.9Y185 Y399 R402 A403 W407 Y408 V409 E415 F418Y185-V405 HydrophobicContact CE2-CG2 4.24Å; Y399-V405 HydrophobicContact CD2-CG2 3.82Å; Y399-V405 HydrophobicContact CE2-CG2 3.99Å; R402-V405 HydrophobicContact CB-CG2 4.26Å; A403-V405 PolarHBondContact O-N 2.83Å; V405-W407 PolarHBondContact O-N 2.91Å; V405-W407 VanDerWaalsContact O-N 3.16Å; V405-Y408 PolarHBondContact O-N 3.13Å; V405-V409 HydrophobicContact CG1-CG2 4.08Å; V405-V409 PolarHBondContact O-N 2.98Å; V405-V409 VanDerWaalsContact O-N 3.09Å; V405-E415 HydrophobicContact CG1-CG 4.09Å; V405-F418 HydrophobicContact CG1-CD2 4.39Å; V405-F418 HydrophobicContact CG1-CE2 4.04Å
406H97Very high96.9Very high128 Ų12870 Ų7059%0.59338%0.382SS*.Hα-helixtrans-61.8-20.2176.966.4-74.1000114.5F404 Y408 G410F404-H406 PolarHBondContact O-N 3.12Å; F404-H406 VanDerWaalsContact O-N 3.16Å; H406-Y408 VanDerWaalsContact C-N 3.31Å; H406-G410 PolarHBondContact O-N 3.35Å
407W97.1Very high96.9Very high122 Ų12268.7 Ų68.746%0.46237%0.374SS..Hα-helixtrans-72.4-27.6173.5-64.64.6000111.8N102 V182 F404 V405 E411N102-W407 PolarHBondContact ND2-O 3.43Å; V182-W407 HydrophobicContact CG1-CE3 4.44Å; F404-W407 HydrophobicContact CB-CD2 4.35Å; F404-W407 HydrophobicContact CB-CE3 4.44Å; F404-W407 AromaticContact CD1-CD2 3.85Å; F404-W407 HydrophobicContact CD1-CD2 3.85Å; F404-W407 AromaticContact CD1-CE2 3.74Å; F404-W407 AromaticContact CD1-CE3 3.82Å; F404-W407 HydrophobicContact CD1-CE3 3.82Å; F404-W407 AromaticContact CD1-CH2 3.65Å; F404-W407 HydrophobicContact CD1-CH2 3.65Å; F404-W407 AromaticContact CD1-CZ2 3.66Å; F404-W407 HydrophobicContact CD1-CZ2 3.66Å; F404-W407 AromaticContact CD1-CZ3 3.73Å; F404-W407 HydrophobicContact CD1-CZ3 3.73Å; F404-W407 AromaticContact CE1-CH2 3.69Å; F404-W407 HydrophobicContact CE1-CH2 3.69Å; F404-W407 AromaticContact CE1-CZ2 3.86Å; F404-W407 HydrophobicContact CE1-CZ2 3.86Å; F404-W407 HydrophobicContact CE1-CZ3 4.1Å; F404-W407 VanDerWaalsContact O-CB 3.26Å; F404-W407 WeakPolarHBondContact O-CB 3.43Å; F404-W407 PolarHBondContact O-N 2.81Å; V405-W407 PolarHBondContact O-N 2.91Å; V405-W407 VanDerWaalsContact O-N 3.16Å; W407-E411 WeakPolarHBondContact O-CG 3.13Å
408Y98.4Very high97Very high0 Ų064 Ų640%035%0.349CS..Hα-helixtrans-87.8-48.3180-69.8-113.8000110.1A104 V182 Y185 N186 L189 V405 H406 G410 E411 M413 F418A104-Y408 HydrophobicContact CB-CD1 3.88Å; A104-Y408 HydrophobicContact CB-CG 4.22Å; V182-Y408 HydrophobicContact CB-CE2 4.26Å; V182-Y408 VanDerWaalsContact CB-OH 3.26Å; V182-Y408 WeakPolarHBondContact CB-OH 3.32Å; V182-Y408 HydrophobicContact CG1-CE2 4.37Å; V182-Y408 WeakPolarHBondContact CG2-OH 3.49Å; V182-Y408 PolarHBondContact O-OH 3.11Å; Y185-Y408 WeakPolarHBondContact CB-OH 3.43Å; Y185-Y408 HydrophobicContact CD2-CD2 4.26Å; Y185-Y408 AromaticContact CD2-CE2 3.68Å; Y185-Y408 HydrophobicContact CD2-CE2 3.68Å; Y185-Y408 AromaticContact CD2-CZ 3.94Å; N186-Y408 PolarHBondContact OD1-OH 3.3Å; L189-Y408 HydrophobicContact CD1-CD1 3.96Å; L189-Y408 HydrophobicContact CD1-CE1 3.87Å; V405-Y408 PolarHBondContact O-N 3.13Å; H406-Y408 VanDerWaalsContact C-N 3.31Å; Y408-G410 PolarHBondContact O-N 3.31Å; Y408-E411 WeakPolarHBondContact O-CB 3.31Å; Y408-E411 PolarHBondContact O-N 2.75Å; Y408-M413 HydrophobicContact CD1-SD 3.84Å; Y408-M413 HydrophobicContact CG-SD 4.35Å; Y408-M413 WeakPolarHBondContact O-CB 3.5Å; Y408-M413 PolarHBondContact O-N 3.49Å; Y408-F418 HydrophobicContact CD1-CE1 4.21Å; Y408-F418 AromaticContact CD1-CZ 3.63Å; Y408-F418 HydrophobicContact CD1-CZ 3.63Å; Y408-F418 AromaticContact CD2-CZ 3.9Å; Y408-F418 HydrophobicContact CD2-CZ 3.9Å; Y408-F418 HydrophobicContact CE1-CE1 4.46Å; Y408-F418 HydrophobicContact CE1-CZ 4.25Å; Y408-F418 HydrophobicContact CG-CE1 4.39Å; Y408-F418 HydrophobicContact CG-CE2 4.18Å; Y408-F418 AromaticContact CG-CZ 3.45Å; Y408-F418 HydrophobicContact CG-CZ 3.45Å; Y408-F418 VanDerWaalsContact CG-CZ 3.45Å
409V97.6Very high97Very high59 Ų5964.6 Ų64.636%0.35836%0.356SS..Hα-helixtrans-62.1-33.8176.51800000111.7V405 E411 G412 M413 E415V405-V409 HydrophobicContact CG1-CG2 4.08Å; V405-V409 PolarHBondContact O-N 2.98Å; V405-V409 VanDerWaalsContact O-N 3.09Å; V409-E411 PolarHBondContact O-N 3.16Å; V409-G412 PolarHBondContact O-N 3.09Å; V409-M413 WeakPolarHBondContact CA-O 3.36Å; V409-E415 HydrophobicContact CG2-CB 4.08Å
410G96.9Very high97Very high67 Ų6767.5 Ų67.569%0.69137%0.372SS*.THydrogen-bonded Turntrans-62.9-22.6174.300000114.4H406 Y408 G412H406-G410 PolarHBondContact O-N 3.35Å; Y408-G410 PolarHBondContact O-N 3.31Å; G410-G412 VanDerWaalsContact C-N 3.33Å
411E97Very high97.1Very high45 Ų4563.4 Ų63.421%0.2134%0.338CS..THydrogen-bonded Turntrans-91.43.9175.1-61.5-73.4164.100111.9A104 R105 Y108 T109 W407 Y408 V409A104-E411 HydrophobicContact CB-CB 3.87Å; A104-E411 HydrophobicContact CB-CG 4.49Å; R105-E411 HydrophobicContact CB-CG 4.09Å; R105-E411 IonicContact NH1-OE1 3.53Å; R105-E411 PolarHBondContact NH1-OE1 2.86Å; Y108-E411 WeakPolarHBondContact CB-O 3.37Å; T109-E411 WeakPolarHBondContact CB-OE2 3.37Å; T109-E411 HydrophobicContact CG2-CB 4.07Å; T109-E411 WeakPolarHBondContact CG2-O 3.49Å; T109-E411 WeakPolarHBondContact CG2-OE2 3.32Å; T109-E411 PolarHBondContact OG1-OE2 3.16Å; W407-E411 WeakPolarHBondContact O-CG 3.13Å; Y408-E411 WeakPolarHBondContact O-CB 3.31Å; Y408-E411 PolarHBondContact O-N 2.75Å; V409-E411 PolarHBondContact O-N 3.16Å
412G95.8Very high97.1Very high55 Ų5557.4 Ų57.457%0.56731%0.311SS*.THydrogen-bonded Turntrans94.86.117500000115.6V409 G410V409-G412 PolarHBondContact O-N 3.09Å; G410-G412 VanDerWaalsContact C-N 3.33Å
413M97.8Very high97.1Very high3 Ų357 Ų572%0.01532%0.315CS..  trans-71.2141.4169.9-175.4-175.2149.500110.6A104 Y108 L189 Y408 V409 E417 F418A104-M413 HydrophobicContact CB-CB 3.9Å; A104-M413 HydrophobicContact CB-SD 4.09Å; Y108-M413 HydrophobicContact CD2-CB 3.74Å; Y108-M413 HydrophobicContact CD2-CG 4.22Å; Y108-M413 HydrophobicContact CE2-CB 3.67Å; Y108-M413 HydrophobicContact CE2-CG 3.63Å; Y108-M413 HydrophobicContact CE2-SD 4.35Å; L189-M413 HydrophobicContact CD1-CE 3.72Å; L189-M413 HydrophobicContact CD1-SD 3.91Å; L189-M413 HydrophobicContact CD2-CE 3.47Å; L189-M413 VanDerWaalsContact CD2-CE 3.47Å; L189-M413 HydrophobicContact CD2-SD 4.47Å; L189-M413 HydrophobicContact CG-CE 4.25Å; Y408-M413 HydrophobicContact CD1-SD 3.84Å; Y408-M413 HydrophobicContact CG-SD 4.35Å; Y408-M413 WeakPolarHBondContact O-CB 3.5Å; Y408-M413 PolarHBondContact O-N 3.49Å; V409-M413 WeakPolarHBondContact CA-O 3.36Å; M413-E417 HydrophobicContact CE-CB 3.68Å; M413-E417 HydrophobicContact CG-CB 4.44Å; M413-E417 WeakPolarHBondContact CG-OE1 3.43Å; M413-E417 WeakPolarHBondContact CG-OE2 3.21Å; M413-F418 HydrophobicContact CE-CD1 4Å; M413-F418 HydrophobicContact CE-CD2 3.53Å; M413-F418 HydrophobicContact CE-CE1 3.99Å; M413-F418 HydrophobicContact CE-CE2 3.51Å; M413-F418 HydrophobicContact CE-CG 3.8Å; M413-F418 HydrophobicContact CE-CZ 3.77Å; M413-F418 HydrophobicContact SD-CE2 4.24Å; M413-F418 HydrophobicContact SD-CZ 4.31Å
414E97.3Very high97.1Very high143 Ų14356.7 Ų56.767%0.66831%0.309SS*.  trans-79.8139.7175.2-62.2-170.4178.400110.9G416 E417E414-G416 PolarHBondContact O-N 2.98Å; E414-E417 HydrophobicContact CB-CG 4.25Å; E414-E417 PolarHBondContact N-OE1 3.01Å; E414-E417 WeakPolarHBondContact O-CB 3.46Å; E414-E417 PolarHBondContact O-N 2.99Å
415E95.4Very high97.1Very high65 Ų6553.9 Ų53.930%0.30430%0.297SS..Hα-helixtrans-63.6-24.6180-172168.7-169.500112.2R402 V405 V409 E417 F418R402-E415 IonicContact CZ-OE1 3.99Å; R402-E415 IonicContact CZ-OE2 2.78Å; R402-E415 IonicContact NE-OE1 3.97Å; R402-E415 PolarHBondContact NE-OE1 3.22Å; R402-E415 VanDerWaalsContact NE-OE1 3.13Å; R402-E415 IonicContact NH2-OE1 2.85Å; R402-E415 PolarHBondContact NH2-OE1 3.48Å; R402-E415 IonicContact NH2-OE2 2.68Å; R402-E415 PolarHBondContact NH2-OE2 3.35Å; V405-E415 HydrophobicContact CG1-CG 4.09Å; V409-E415 HydrophobicContact CG2-CB 4.08Å; E415-E417 VanDerWaalsContact C-N 3.3Å; E415-E417 PolarHBondContact O-N 3.29Å; E415-F418 PolarHBondContact O-N 3.26Å
416G96.8Very high97.1Very high36 Ų3655.1 Ų55.137%0.37131%0.307SS..Hα-helixtrans-61.2-35.1176.500000113.5E414 F418 S419 E420E414-G416 PolarHBondContact O-N 2.98Å; G416-F418 PolarHBondContact O-N 2.92Å; G416-S419 WeakPolarHBondContact O-CA 3.17Å; G416-S419 WeakPolarHBondContact O-CB 3.23Å; G416-S419 PolarHBondContact O-N 3.07Å; G416-E420 PolarHBondContact O-N 3.17Å
417E97.8Very high97Very high39 Ų3950.9 Ų50.918%0.18229%0.294CS..Hα-helixtrans-60.3-31.1-178.4-64.1176.3-127.800112.7Y108 M413 E414 E415 S419 A421Y108-E417 PolarHBondContact OH-OE1 2.72Å; Y108-E417 PolarHBondContact OH-OE2 3Å; M413-E417 HydrophobicContact CE-CB 3.68Å; M413-E417 HydrophobicContact CG-CB 4.44Å; M413-E417 WeakPolarHBondContact CG-OE1 3.43Å; M413-E417 WeakPolarHBondContact CG-OE2 3.21Å; E414-E417 HydrophobicContact CB-CG 4.25Å; E414-E417 PolarHBondContact N-OE1 3.01Å; E414-E417 WeakPolarHBondContact O-CB 3.46Å; E414-E417 PolarHBondContact O-N 2.99Å; E415-E417 VanDerWaalsContact C-N 3.3Å; E415-E417 PolarHBondContact O-N 3.29Å; E417-S419 VanDerWaalsContact C-N 3.3Å; E417-S419 PolarHBondContact O-N 2.54Å; E417-A421 VanDerWaalsContact O-CB 3.29Å; E417-A421 WeakPolarHBondContact O-CB 3.46Å; E417-A421 PolarHBondContact O-N 3.31Å
418F97.8Very high97Very high0 Ų045 Ų450%027%0.272CS..Hα-helixtrans-61-42.1172.7-80.7-67.7000112.1Y185 L189 F395 Y399 V405 Y408 M413 E415 G416 R422Y185-F418 HydrophobicContact CD1-CD1 4.32Å; Y185-F418 AromaticContact CD1-CE1 3.94Å; Y185-F418 HydrophobicContact CD1-CE1 3.94Å; Y185-F418 AromaticContact CD2-CE1 3.85Å; Y185-F418 HydrophobicContact CD2-CE1 3.85Å; Y185-F418 HydrophobicContact CD2-CZ 4.13Å; Y185-F418 HydrophobicContact CE1-CE1 4.43Å; Y185-F418 HydrophobicContact CE2-CE1 4.33Å; Y185-F418 HydrophobicContact CE2-CZ 4.45Å; Y185-F418 HydrophobicContact CG-CD1 4.43Å; Y185-F418 AromaticContact CG-CE1 3.63Å; Y185-F418 HydrophobicContact CG-CE1 3.63Å; Y185-F418 HydrophobicContact CG-CZ 4.36Å; L189-F418 HydrophobicContact CD1-CD1 4.39Å; L189-F418 HydrophobicContact CD1-CE1 3.93Å; L189-F418 HydrophobicContact CD2-CD1 4.43Å; F395-F418 AromaticContact CE2-CD1 3.87Å; F395-F418 HydrophobicContact CE2-CD1 3.87Å; F395-F418 HydrophobicContact CZ-CB 4.15Å; F395-F418 HydrophobicContact CZ-CD1 4.08Å; F395-F418 WeakPolarHBondContact CZ-O 3.14Å; Y399-F418 HydrophobicContact CD2-CB 4.37Å; Y399-F418 HydrophobicContact CD2-CG 4.46Å; Y399-F418 HydrophobicContact CE2-CB 3.69Å; Y399-F418 HydrophobicContact CE2-CD2 4.17Å; Y399-F418 AromaticContact CE2-CG 3.96Å; Y399-F418 HydrophobicContact CE2-CG 3.96Å; V405-F418 HydrophobicContact CG1-CD2 4.39Å; V405-F418 HydrophobicContact CG1-CE2 4.04Å; Y408-F418 HydrophobicContact CD1-CE1 4.21Å; Y408-F418 AromaticContact CD1-CZ 3.63Å; Y408-F418 HydrophobicContact CD1-CZ 3.63Å; Y408-F418 AromaticContact CD2-CZ 3.9Å; Y408-F418 HydrophobicContact CD2-CZ 3.9Å; Y408-F418 HydrophobicContact CE1-CE1 4.46Å; Y408-F418 HydrophobicContact CE1-CZ 4.25Å; Y408-F418 HydrophobicContact CG-CE1 4.39Å; Y408-F418 HydrophobicContact CG-CE2 4.18Å; Y408-F418 AromaticContact CG-CZ 3.45Å; Y408-F418 HydrophobicContact CG-CZ 3.45Å; Y408-F418 VanDerWaalsContact CG-CZ 3.45Å; M413-F418 HydrophobicContact CE-CD1 4Å; M413-F418 HydrophobicContact CE-CD2 3.53Å; M413-F418 HydrophobicContact CE-CE1 3.99Å; M413-F418 HydrophobicContact CE-CE2 3.51Å; M413-F418 HydrophobicContact CE-CG 3.8Å; M413-F418 HydrophobicContact CE-CZ 3.77Å; M413-F418 HydrophobicContact SD-CE2 4.24Å; M413-F418 HydrophobicContact SD-CZ 4.31Å; E415-F418 PolarHBondContact O-N 3.26Å; G416-F418 PolarHBondContact O-N 2.92Å; F418-R422 WeakPolarHBondContact O-CB 3.36Å; F418-R422 PolarHBondContact O-N 3.32Å; F418-R422 VanDerWaalsContact O-N 3.14Å
419S96.5Very high96.9Very high42 Ų4247 Ų4729%0.29428%0.281SS..Hα-helixtrans-72.8-42.6-177.7-45.20000110Y399 G416 E417 R422 E423Y399-S419 PolarHBondContact OH-OG 2.85Å; G416-S419 WeakPolarHBondContact O-CA 3.17Å; G416-S419 WeakPolarHBondContact O-CB 3.23Å; G416-S419 PolarHBondContact O-N 3.07Å; E417-S419 VanDerWaalsContact C-N 3.3Å; E417-S419 PolarHBondContact O-N 2.54Å; S419-R422 PolarHBondContact O-N 3.39Å; S419-E423 WeakPolarHBondContact O-CB 3.32Å; S419-E423 WeakPolarHBondContact O-CG 3.36Å; S419-E423 PolarHBondContact O-N 3.22Å
420E97.6Very high96.8Very high113 Ų11350.2 Ų50.253%0.52829%0.291SS..Hα-helixtrans-60.9-51177.2-68.1174.5-170.300111.7G416 R422 E423 D424G416-E420 PolarHBondContact O-N 3.17Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 3.26Å; E420-E423 PolarHBondContact O-N 3.21Å; E420-D424 WeakPolarHBondContact O-CB 3.49Å; E420-D424 PolarHBondContact O-N 2.81Å
421A97.6Very high96.7Very high1 Ų149 Ų491%0.00827%0.268CS..Hα-helixtrans-62.2-35.9178.200000112.5I188 L189 H192 E417 L425I188-A421 HydrophobicContact CG2-CB 3.65Å; L189-A421 HydrophobicContact CD2-CB 3.94Å; H192-A421 HydrophobicContact CB-CB 3.66Å; E417-A421 VanDerWaalsContact O-CB 3.29Å; E417-A421 WeakPolarHBondContact O-CB 3.46Å; E417-A421 PolarHBondContact O-N 3.31Å; A421-L425 PolarHBondContact O-N 3.32Å; A421-L425 VanDerWaalsContact O-N 3.1Å
422R97.5Very high96.6Very high45 Ų4546.9 Ų46.917%0.1726%0.258CS..Hα-helixtrans-69.5-41.7177174.562.4-173.296.8-10112.3D392 F395 D396 F418 S419 E420 D424 L425 A426D392-R422 VanDerWaalsContact CG-NH2 3.32Å; D392-R422 IonicContact OD1-CZ 3.82Å; D392-R422 IonicContact OD1-NE 2.81Å; D392-R422 IonicContact OD1-NH1 3.89Å; D392-R422 PolarHBondContact OD1-NH1 3.09Å; D392-R422 IonicContact OD1-NH2 3.78Å; D392-R422 IonicContact OD2-CZ 2.75Å; D392-R422 IonicContact OD2-NE 3.69Å; D392-R422 IonicContact OD2-NH1 3.85Å; D392-R422 PolarHBondContact OD2-NH1 3.17Å; D392-R422 IonicContact OD2-NH2 3.54Å; D392-R422 PolarHBondContact OD2-NH2 3.37Å; F395-R422 HydrophobicContact CD1-CB 4.39Å; F395-R422 HydrophobicContact CD1-CG 3.99Å; F395-R422 HydrophobicContact CE1-CB 3.74Å; F395-R422 HydrophobicContact CE1-CG 3.67Å; F395-R422 HydrophobicContact CZ-CB 3.93Å; F395-R422 HydrophobicContact CZ-CG 4.36Å; D396-R422 IonicContact OD1-CZ 2.7Å; D396-R422 IonicContact OD1-NE 3.88Å; D396-R422 PolarHBondContact OD1-NE 3.02Å; D396-R422 IonicContact OD1-NH2 2.98Å; D396-R422 IonicContact OD2-CZ 2.68Å; D396-R422 IonicContact OD2-NE 3.7Å; D396-R422 IonicContact OD2-NH2 3.34Å; D396-R422 PolarHBondContact OD2-NH2 2.84Å; F418-R422 WeakPolarHBondContact O-CB 3.36Å; F418-R422 PolarHBondContact O-N 3.32Å; F418-R422 VanDerWaalsContact O-N 3.14Å; S419-R422 PolarHBondContact O-N 3.39Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 3.26Å; R422-D424 VanDerWaalsContact C-N 3.33Å; R422-L425 PolarHBondContact O-N 3.31Å; R422-A426 PolarHBondContact O-N 3.17Å; R422-A426 VanDerWaalsContact O-N 3.1Å
423E97.2Very high96.5Very high139 Ų13950.9 Ų50.965%0.6526%0.262SS*.Hα-helixtrans-64.9-39.1175.3-76.5177.2-171.400111.2S419 E420 A426 A427S419-E423 WeakPolarHBondContact O-CB 3.32Å; S419-E423 WeakPolarHBondContact O-CG 3.36Å; S419-E423 PolarHBondContact O-N 3.22Å; E420-E423 PolarHBondContact O-N 3.21Å; E423-A426 PolarHBondContact O-N 3.49Å; E423-A427 PolarHBondContact O-N 3.1Å
424D96.6Very high96.2Very high25 Ų2557.3 Ų57.313%0.13429%0.292CS..Hα-helixtrans-65.9-39.3177.9-16528.9000112.2H192 L195 R264 E420 R422 A427 L428H192-D424 IonicContact CE1-OD2 3.13Å; H192-D424 IonicContact CG-OD2 2.78Å; H192-D424 IonicContact ND1-OD2 3.34Å; H192-D424 PolarHBondContact ND1-OD2 2.91Å; L195-D424 WeakPolarHBondContact CD1-OD2 3.48Å; R264-D424 IonicContact CZ-OD1 2.82Å; R264-D424 IonicContact NH1-OD1 2.83Å; R264-D424 PolarHBondContact NH1-OD1 2.92Å; R264-D424 PolarHBondContact NH2-O 2.9Å; R264-D424 IonicContact NH2-OD1 3.67Å; R264-D424 PolarHBondContact NH2-OD1 3.42Å; E420-D424 WeakPolarHBondContact O-CB 3.49Å; E420-D424 PolarHBondContact O-N 2.81Å; R422-D424 VanDerWaalsContact C-N 3.33Å; D424-A427 PolarHBondContact O-N 2.93Å; D424-L428 PolarHBondContact O-N 2.71Å
425L96.7Very high95.9Very high1 Ų151.2 Ų51.21%0.00527%0.265CS..Hα-helixtrans-67.2-39.8173.3-172.154.2000112.2I188 T191 W388 L391 D392 A421 R422 A427 L428 E429I188-L425 HydrophobicContact CD1-CD2 4.22Å; I188-L425 HydrophobicContact CG1-CD2 3.53Å; T191-L425 HydrophobicContact CG2-CD1 3.95Å; W388-L425 HydrophobicContact CB-CD1 4.05Å; W388-L425 HydrophobicContact CB-CG 4.42Å; W388-L425 HydrophobicContact CD2-CD1 3.95Å; W388-L425 HydrophobicContact CE3-CD1 3.74Å; W388-L425 HydrophobicContact CG-CD1 4.04Å; W388-L425 HydrophobicContact CZ3-CD1 4.45Å; L391-L425 HydrophobicContact CD2-CD2 4.25Å; D392-L425 VanDerWaalsContact OD1-CD2 3.3Å; D392-L425 WeakPolarHBondContact OD1-CD2 3.36Å; A421-L425 PolarHBondContact O-N 3.32Å; A421-L425 VanDerWaalsContact O-N 3.1Å; R422-L425 PolarHBondContact O-N 3.31Å; L425-A427 VanDerWaalsContact C-N 3.3Å; L425-A427 PolarHBondContact O-N 2.73Å; L425-L428 HydrophobicContact CD1-CB 4.34Å; L425-L428 HydrophobicContact CD1-CD2 3.87Å; L425-L428 WeakPolarHBondContact O-CB 3.49Å; L425-L428 PolarHBondContact O-N 3.1Å; L425-L428 VanDerWaalsContact O-N 3.17Å; L425-E429 PolarHBondContact O-N 2.93Å
426A96Very high95.6Very high29 Ų2948.8 Ų48.824%0.2426%0.257CS..Hα-helixtrans-61.9-38172.800000112.4R422 E423 E429 K430R422-A426 PolarHBondContact O-N 3.17Å; R422-A426 VanDerWaalsContact O-N 3.1Å; E423-A426 PolarHBondContact O-N 3.49Å; A426-E429 PolarHBondContact O-N 3.25Å; A426-K430 PolarHBondContact O-N 3.32Å
427A96.5Very high95.1Very high39 Ų3950.1 Ų50.132%0.32226%0.258SS..Hα-helixtrans-65.2-41.7174.200000111E423 D424 L425 E429 K430 D431E423-A427 PolarHBondContact O-N 3.1Å; D424-A427 PolarHBondContact O-N 2.93Å; L425-A427 VanDerWaalsContact C-N 3.3Å; L425-A427 PolarHBondContact O-N 2.73Å; A427-E429 VanDerWaalsContact C-N 3.33Å; A427-E429 PolarHBondContact O-N 2.88Å; A427-K430 WeakPolarHBondContact O-CB 3.32Å; A427-K430 PolarHBondContact O-N 3.32Å; A427-D431 VanDerWaalsContact O-CG 3.25Å; A427-D431 PolarHBondContact O-N 3.14Å
428L96.7Very high94Very high0 Ų050.7 Ų50.70%026%0.262CS..Hα-helixtrans-60.1-40.7174.2-178.864.6000112.4T191 L195 R264 F267 W388 D424 L425 K430 D431 Y432T191-L428 HydrophobicContact CG2-CD2 4.39Å; L195-L428 HydrophobicContact CD1-CD2 4.36Å; L195-L428 HydrophobicContact CD2-CD1 3.97Å; L195-L428 HydrophobicContact CD2-CD2 4.07Å; R264-L428 HydrophobicContact CB-CD1 4.16Å; R264-L428 VanDerWaalsContact O-CD1 3.27Å; R264-L428 WeakPolarHBondContact O-CD1 3.15Å; F267-L428 HydrophobicContact CD2-CD2 4.27Å; F267-L428 HydrophobicContact CE2-CD2 3.74Å; F267-L428 HydrophobicContact CZ-CD2 4.4Å; W388-L428 HydrophobicContact CD2-CD2 4.5Å; W388-L428 HydrophobicContact CZ2-CD2 4.26Å; D424-L428 PolarHBondContact O-N 2.71Å; L425-L428 HydrophobicContact CD1-CB 4.34Å; L425-L428 HydrophobicContact CD1-CD2 3.87Å; L425-L428 WeakPolarHBondContact O-CB 3.49Å; L425-L428 PolarHBondContact O-N 3.1Å; L425-L428 VanDerWaalsContact O-N 3.17Å; L428-K430 VanDerWaalsContact C-N 3.32Å; L428-K430 PolarHBondContact O-N 3Å; L428-D431 WeakPolarHBondContact O-CB 3.46Å; L428-D431 PolarHBondContact O-N 2.82Å; L428-Y432 HydrophobicContact CD1-CD2 3.98Å; L428-Y432 HydrophobicContact CD1-CE2 3.68Å; L428-Y432 HydrophobicContact CD2-CE2 4.31Å; L428-Y432 HydrophobicContact CG-CD2 3.99Å; L428-Y432 HydrophobicContact CG-CE2 3.88Å; L428-Y432 WeakPolarHBondContact O-CD2 3.29Å; L428-Y432 PolarHBondContact O-N 3.46Å
429E95.6Very high92.6Very high41 Ų4153.6 Ų53.619%0.19228%0.283CS..Hα-helixtrans-58.2-45.2175-74.5-177-172.500111.9W388 A389 L425 A426 A427 Y432 E433W388-E429 HydrophobicContact CB-CG 3.55Å; W388-E429 WeakPolarHBondContact CB-OE1 3.4Å; W388-E429 HydrophobicContact CG-CG 4.29Å; A389-E429 WeakPolarHBondContact CA-OE1 3.44Å; A389-E429 PolarHBondContact N-OE1 3.18Å; L425-E429 PolarHBondContact O-N 2.93Å; A426-E429 PolarHBondContact O-N 3.25Å; A427-E429 VanDerWaalsContact C-N 3.33Å; A427-E429 PolarHBondContact O-N 2.88Å; E429-Y432 PolarHBondContact O-N 2.82Å; E429-E433 PolarHBondContact O-N 3.46Å
430K95.3Very high90.8Very high127 Ų12756.7 Ų56.755%0.55230%0.299SS*.Hα-helixtrans-63.8-41.1175.3-68.4-179.7-179.9-177.60112.1A426 A427 L428 Y432 E433 E434A426-K430 PolarHBondContact O-N 3.32Å; A427-K430 WeakPolarHBondContact O-CB 3.32Å; A427-K430 PolarHBondContact O-N 3.32Å; L428-K430 VanDerWaalsContact C-N 3.32Å; L428-K430 PolarHBondContact O-N 3Å; K430-Y432 PolarHBondContact O-N 2.96Å; K430-E433 WeakPolarHBondContact O-CB 3.48Å; K430-E433 PolarHBondContact O-N 2.9Å; K430-E433 VanDerWaalsContact O-N 3.09Å; K430-E434 WeakPolarHBondContact O-CB 3.43Å; K430-E434 WeakPolarHBondContact O-CG 3.43Å; K430-E434 PolarHBondContact O-N 3.4Å
431D95.4Very high88.9Confident42 Ų4255.9 Ų55.923%0.22530%0.299CS..Hα-helixtrans-56.2-42.3175.1-64.5-29.7000110.6R264 I265 A427 L428 V435R264-D431 WeakPolarHBondContact CD-OD2 3.45Å; R264-D431 IonicContact CZ-OD2 3.17Å; R264-D431 IonicContact NE-OD2 2.71Å; R264-D431 PolarHBondContact NE-OD2 2.83Å; R264-D431 IonicContact NH2-OD2 2.73Å; I265-D431 HydrophobicContact CD1-CB 4.11Å; I265-D431 HydrophobicContact CG1-CB 4.26Å; A427-D431 VanDerWaalsContact O-CG 3.25Å; A427-D431 PolarHBondContact O-N 3.14Å; L428-D431 WeakPolarHBondContact O-CB 3.46Å; L428-D431 PolarHBondContact O-N 2.82Å; D431-V435 WeakPolarHBondContact O-CG1 3.45Å; D431-V435 WeakPolarHBondContact O-CG2 3.4Å; D431-V435 PolarHBondContact O-N 3.13Å
432Y95.2Very high87Confident0 Ų057.9 Ų57.90%032%0.316CS..Hα-helixtrans-70.9-33.3176.1-85.3-76.9000113.9I265 M313 T382 I384 W388 L428 E429 K430 V435 G436I265-Y432 HydrophobicContact CG2-CD1 3.94Å; I265-Y432 HydrophobicContact CG2-CE1 3.34Å; I265-Y432 HydrophobicContact CG2-CE2 4.28Å; M313-Y432 HydrophobicContact CE-CD1 3.89Å; M313-Y432 HydrophobicContact CE-CE1 3.67Å; T382-Y432 HydrophobicContact CG2-CD1 4.44Å; T382-Y432 VanDerWaalsContact CG2-O 3.31Å; T382-Y432 WeakPolarHBondContact CG2-O 3.35Å; I384-Y432 HydrophobicContact CG2-CD1 3.88Å; I384-Y432 HydrophobicContact CG2-CD2 4.3Å; I384-Y432 HydrophobicContact CG2-CE1 3.37Å; I384-Y432 HydrophobicContact CG2-CE2 3.92Å; I384-Y432 HydrophobicContact CG2-CG 4.3Å; I384-Y432 VanDerWaalsContact CG2-CZ 3.45Å; W388-Y432 AromaticContact NE1-CD2 3.77Å; W388-Y432 AromaticContact NE1-CE2 3.54Å; L428-Y432 HydrophobicContact CD1-CD2 3.98Å; L428-Y432 HydrophobicContact CD1-CE2 3.68Å; L428-Y432 HydrophobicContact CD2-CE2 4.31Å; L428-Y432 HydrophobicContact CG-CD2 3.99Å; L428-Y432 HydrophobicContact CG-CE2 3.88Å; L428-Y432 WeakPolarHBondContact O-CD2 3.29Å; L428-Y432 PolarHBondContact O-N 3.46Å; E429-Y432 PolarHBondContact O-N 2.82Å; K430-Y432 PolarHBondContact O-N 2.96Å; Y432-V435 WeakPolarHBondContact O-CG2 3.35Å; Y432-G436 PolarHBondContact O-N 3.4Å
433E93Very high84.8Confident138 Ų13862 Ų6265%0.64534%0.337SS*.Hα-helixtrans-66.2-51.5174.7-174.9174.3-164.600110.4E429 K430 V435 G436 V437E429-E433 PolarHBondContact O-N 3.46Å; K430-E433 WeakPolarHBondContact O-CB 3.48Å; K430-E433 PolarHBondContact O-N 2.9Å; K430-E433 VanDerWaalsContact O-N 3.09Å; E433-V435 PolarHBondContact O-N 3.19Å; E433-G436 WeakPolarHBondContact O-CA 3.42Å; E433-G436 PolarHBondContact O-N 3.21Å; E433-V437 PolarHBondContact O-N 2.52Å
434E92.4Very high82.4Confident138 Ų13857 Ų5765%0.64532%0.323SS*.Hα-helixtrans-57.8-45.3-178.7-73.7179.1-169.100112.2K430 G436 V437K430-E434 WeakPolarHBondContact O-CB 3.43Å; K430-E434 WeakPolarHBondContact O-CG 3.43Å; K430-E434 PolarHBondContact O-N 3.4Å; E434-G436 PolarHBondContact O-N 3.19Å; E434-V437 PolarHBondContact O-N 3.27Å
435V91.1Very high80Confident15 Ų1563.8 Ų63.89%0.09135%0.353CS..THydrogen-bonded Turntrans-70.4-15.9178.5-60.60000113.8Y262 I265 M313 W346 T382 D431 Y432 E433Y262-V435 HydrophobicContact CD2-CG1 3.86Å; Y262-V435 HydrophobicContact CE2-CG1 3.52Å; I265-V435 HydrophobicContact CD1-CB 4.38Å; I265-V435 HydrophobicContact CD1-CG1 3.62Å; I265-V435 HydrophobicContact CD1-CG2 3.9Å; M313-V435 HydrophobicContact SD-CB 4.3Å; M313-V435 HydrophobicContact SD-CG2 3.6Å; W346-V435 HydrophobicContact CZ2-CB 4.24Å; W346-V435 PolarHBondContact NE1-O 2.78Å; W346-V435 VanDerWaalsContact NE1-O 3.16Å; T382-V435 HydrophobicContact CG2-CG2 3.8Å; D431-V435 WeakPolarHBondContact O-CG1 3.45Å; D431-V435 WeakPolarHBondContact O-CG2 3.4Å; D431-V435 PolarHBondContact O-N 3.13Å; Y432-V435 WeakPolarHBondContact O-CG2 3.35Å; E433-V435 PolarHBondContact O-N 3.19Å
436G88.5Confident77.6Confident14 Ų1470 Ų7014%0.14439%0.386CS..THydrogen-bonded Turntrans-86.3-19.6177.500000114.2K311 Y432 E433 E434K311-G436 WeakPolarHBondContact CD-O 3.49Å; K311-G436 WeakPolarHBondContact CE-O 3.4Å; K311-G436 PolarHBondContact NZ-O 2.98Å; Y432-G436 PolarHBondContact O-N 3.4Å; E433-G436 WeakPolarHBondContact O-CA 3.42Å; E433-G436 PolarHBondContact O-N 3.21Å; E434-G436 PolarHBondContact O-N 3.19Å
437V86.8Confident75Confident65 Ų6575.7 Ų75.739%0.39441%0.408SS..SBendtrans-66.6133.2175.2-177.70000108.8E433 E434 D441E433-V437 PolarHBondContact O-N 2.52Å; E434-V437 PolarHBondContact O-N 3.27Å; V437-D441 HydrophobicContact CG1-CB 3.86Å
438D74.9Confident72.5Confident51 Ų5182.4 Ų82.427%0.27343%0.433SS..  trans-65.7142.2175.6-74.4-44.6000109.7K311 V440 D441 A442K311-D438 IonicContact NZ-OD1 2.65Å; K311-D438 PolarHBondContact NZ-OD1 2.56Å; K311-D438 IonicContact NZ-OD2 3.51Å; K311-D438 PolarHBondContact NZ-OD2 2.85Å; D438-V440 PolarHBondContact O-N 3.32Å; D438-D441 PolarHBondContact O-N 3.2Å; D438-A442 PolarHBondContact O-N 2.83Å; D438-A442 VanDerWaalsContact O-N 3.17Å
439S67.6Low70Confident61 Ų6185.7 Ų85.743%0.42747%0.466SS..Hα-helixtrans-54.5-30.917757.80000112.5D345 A442 E443D345-S439 WeakPolarHBondContact OD2-CB 3.24Å; D345-S439 PolarHBondContact OD2-N 3.35Å; D345-S439 PolarHBondContact OD2-OG 3.38Å; S439-A442 PolarHBondContact O-N 3.42Å; S439-E443 PolarHBondContact O-N 3.3Å
440V59.6Low67.4Low106 Ų10692 Ų9264%0.64250%0.496SS*.Hα-helixtrans-68-35177.7-1710000112D438 G444D438-V440 PolarHBondContact O-N 3.32Å; V440-G444 PolarHBondContact O-N 3.05Å
441D57.9Low64.7Low96 Ų9694.5 Ų94.551%0.51351%0.509SS..Hα-helixtrans-76.3-34.3178.6-66.8-26.9000110.7V437 D438 G444 E445V437-D441 HydrophobicContact CG1-CB 3.86Å; D438-D441 PolarHBondContact O-N 3.2Å; D441-G444 PolarHBondContact O-N 3.31Å; D441-E445 PolarHBondContact O-N 3.03Å
442A56.5Low62.2Low44 Ų44106.8 Ų106.836%0.36456%0.555SS.*Hα-helixtrans-69.7-28.6176.800000113.9D438 S439 N446D438-A442 PolarHBondContact O-N 2.83Å; D438-A442 VanDerWaalsContact O-N 3.17Å; S439-A442 PolarHBondContact O-N 3.42Å; A442-N446 PolarHBondContact O-ND2 3.43Å
443E51.1Low60.5Low132 Ų132112.1 Ų112.162%0.61758%0.582SS**Hα-helixtrans-75.3-36.5172-73.1-176.6173.400111.5S439 E445 N446 E447S439-E443 PolarHBondContact O-N 3.3Å; E443-E445 PolarHBondContact O-N 2.98Å; E443-N446 PolarHBondContact O-N 3.32Å; E443-N446 VanDerWaalsContact O-N 3.13Å; E443-E447 PolarHBondContact O-N 3.47Å
444G46.4Very low58.8Low34 Ų34110.7 Ų110.735%0.35158%0.579SS.*Hα-helixtrans-62.7-36.9177.600000114.1V440 D441 N446 E447 E448V440-G444 PolarHBondContact O-N 3.05Å; D441-G444 PolarHBondContact O-N 3.31Å; G444-N446 VanDerWaalsContact C-N 3.31Å; G444-N446 PolarHBondContact O-N 3.44Å; G444-E447 PolarHBondContact O-N 3.13Å; G444-E448 PolarHBondContact O-N 3.43Å
445E47.7Very low57Low167 Ų167109.2 Ų109.278%0.7858%0.576SS**Hα-helixtrans-70.6-25.2174.9-71-169.9167.300113.2D441 E443D441-E445 PolarHBondContact O-N 3.03Å; E443-E445 PolarHBondContact O-N 2.98Å
446N45.6Very low55Low130 Ų130114.8 Ų114.870%0.69560%0.604SS**Hα-helixtrans-84.7-25.6175.7-74.4-51.1000112.8A442 E443 G444A442-N446 PolarHBondContact O-ND2 3.43Å; E443-N446 PolarHBondContact O-N 3.32Å; E443-N446 VanDerWaalsContact O-N 3.13Å; G444-N446 VanDerWaalsContact C-N 3.31Å; G444-N446 PolarHBondContact O-N 3.44Å
447E42.2Very low52.9Low149 Ų149121.1 Ų121.170%0.69663%0.633SS**Hα-helixtrans-80.6-25.5177-72.1-170168.400113.4E443 G444 G449 E450E443-E447 PolarHBondContact O-N 3.47Å; G444-E447 PolarHBondContact O-N 3.13Å; E447-G449 PolarHBondContact O-N 3.12Å; E447-G449 VanDerWaalsContact O-N 3.12Å; E447-E450 PolarHBondContact O-N 3.35Å
448E44.2Very low50.6Low181 Ų181124.8 Ų124.885%0.84665%0.649SS**THydrogen-bonded Turntrans-70.7-2.1174.7-72.3-165.8173.400113.9G444G444-E448 PolarHBondContact O-N 3.43Å
449G43.7Very low48.9Very low68 Ų68130.1 Ų130.170%0.70168%0.676SS**THydrogen-bonded Turntrans-90.9-8.4174.700000115.9E447E447-G449 PolarHBondContact O-N 3.12Å; E447-G449 VanDerWaalsContact O-N 3.12Å
450E39.5Very low47.4Very low174 Ų174135.4 Ų135.481%0.81370%0.695SS**  trans-119.749.6-176.2-67.9-163.6167.500113.5E447E447-E450 PolarHBondContact O-N 3.35Å
451E40.3Very low46.4Very low179 Ų179137.8 Ų137.884%0.83670%0.699SS**  trans-115.993.7160.7-76.7-160.115800111.8
452Y42.2Very low45.4Very low300 Ų300141.6 Ų141.6100%1.17672%0.716SS**  trans42.90152-66.5-76.3000121.6

Retrieved 452 of 452 residues in 1186.3 ms (Link to these results)

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