A0A3Q0KME5_SCHMA Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KME5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 403 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
1M37.5Very low68.9Low235 Ų235119.4 Ų119.4100%1.15859%0.59SS**  0111.70-75.7168159.300106.2D3M1-D3 PolarHBondContact O-N 3.14Å; M1-D3 VanDerWaalsContact O-N 3.15Å
2Q44.2Very low71.1Confident195 Ų195113.4 Ų113.491%0.91156%0.557SS**  trans-59.3117.8168-76.9167.6-22.100105.6N4Q2-N4 PolarHBondContact O-N 3.4Å
3D48.9Very low72.9Confident135 Ų135115.5 Ų115.572%0.72256%0.555SS**  trans-50.6112169.9-89.5-25.4000106.2M1 Q5M1-D3 PolarHBondContact O-N 3.14Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-Q5 HydrophobicContact CB-CG 4.05Å; D3-Q5 PolarHBondContact O-N 2.79Å
4N50.9Low74.5Confident161 Ų161107.5 Ų107.586%0.86152%0.516SS*.  trans-70.168169.9-154.515.8000105.5Q2 S6Q2-N4 PolarHBondContact O-N 3.4Å; N4-S6 PolarHBondContact O-N 3.23Å
5Q54.7Low75.9Confident164 Ų164101.6 Ų101.677%0.76649%0.488SS*.  trans-64.287.5168.5-72.6-171.52.500104.6D3 L7D3-Q5 HydrophobicContact CB-CG 4.05Å; D3-Q5 PolarHBondContact O-N 2.79Å; Q5-L7 PolarHBondContact O-N 3.46Å; Q5-L7 VanDerWaalsContact O-N 3.07Å
6S66.2Low77.1Confident54 Ų5497.1 Ų97.138%0.37847%0.469SS..  trans-43.6122.1169.953.70000107.3N4 R8N4-S6 PolarHBondContact O-N 3.23Å; S6-R8 WeakPolarHBondContact O-CG 3.41Å; S6-R8 PolarHBondContact O-N 3.1Å
7L81.8Confident78.2Confident141 Ų14192.2 Ų92.274%0.73845%0.45SS*.  trans-53.4106.3-172.4-178.575.4000108.7Q5 I9Q5-L7 PolarHBondContact O-N 3.46Å; Q5-L7 VanDerWaalsContact O-N 3.07Å; L7-I9 HydrophobicContact CD2-CD1 4.17Å; L7-I9 HydrophobicContact CD2-CG1 4.17Å; L7-I9 HydrophobicContact CG-CG1 4.2Å; L7-I9 PolarHBondContact O-N 3.37Å
8R91Very high79.2Confident173 Ų17394.8 Ų94.865%0.65345%0.454SS*.  trans-82113.3-178.5-62.8-167.7175.8-172.1-0.5110.2S6 K315 V316S6-R8 WeakPolarHBondContact O-CG 3.41Å; S6-R8 PolarHBondContact O-N 3.1Å; R8-K315 HydrophobicContact CB-CB 3.85Å; R8-V316 WeakPolarHBondContact CA-O 3.35Å
9I92.9Very high80.1Confident15 Ų1590.5 Ų90.58%0.07743%0.434CS..EExtended strand (participates in β ladder)trans-102138.3-175.9-57.7174.4000109.5L7 Y11 R13 L14 K315 V316 W321 L328L7-I9 HydrophobicContact CD2-CD1 4.17Å; L7-I9 HydrophobicContact CD2-CG1 4.17Å; L7-I9 HydrophobicContact CG-CG1 4.2Å; L7-I9 PolarHBondContact O-N 3.37Å; I9-Y11 PolarHBondContact O-N 3.29Å; I9-R13 HydrophobicContact CG2-CB 4.07Å; I9-L14 HydrophobicContact CB-CD1 4.2Å; I9-L14 HydrophobicContact CB-CG 4.4Å; I9-L14 HydrophobicContact CD1-CD2 4.34Å; I9-L14 HydrophobicContact CG2-CD1 4.36Å; I9-L14 HydrophobicContact CG2-CD2 4.15Å; I9-L14 HydrophobicContact CG2-CG 4.04Å; I9-K315 WeakPolarHBondContact O-CA 3.12Å; I9-V316 PolarHBondContact N-O 3.32Å; I9-V316 PolarHBondContact O-N 3.45Å; I9-W321 HydrophobicContact CD1-CZ2 3.8Å; I9-L328 HydrophobicContact CD1-CD1 4.49Å; I9-L328 HydrophobicContact CG2-CD1 4.38Å
10P94.7Very high80.9Confident28 Ų2892.9 Ų92.918%0.18244%0.438CS..EExtended strand (participates in β ladder)trans-57.3128.1171.6-23.433.3000112Y12 R13 R314 K315P10-Y12 HydrophobicContact CB-CD1 3.57Å; P10-Y12 HydrophobicContact CB-CE1 3.45Å; P10-Y12 VanDerWaalsContact CB-CE1 3.45Å; P10-Y12 HydrophobicContact CG-CE1 4.16Å; P10-Y12 PolarHBondContact O-N 3.32Å; P10-Y12 VanDerWaalsContact O-N 3.09Å; P10-R13 WeakPolarHBondContact O-CB 3.5Å; P10-R13 PolarHBondContact O-N 2.61Å; P10-R314 WeakPolarHBondContact CA-O 3.41Å; P10-K315 HydrophobicContact CG-CG 4.25Å
11Y95Very high81.7Confident12 Ų1290.3 Ų90.35%0.04743%0.426CS..Hα-helixtrans-54.8-35-174.1-174.1-77.6000113.1I9 R13 L14 H15 L310 G312 R314 V316 P322I9-Y11 PolarHBondContact O-N 3.29Å; Y11-R13 PolarHBondContact O-N 3.26Å; Y11-R13 VanDerWaalsContact O-N 3.08Å; Y11-L14 CarbonylContact O-C 3.55Å; Y11-L14 WeakPolarHBondContact O-CA 3.21Å; Y11-L14 PolarHBondContact O-N 3.44Å; Y11-H15 HydrophobicContact CE1-CB 4.35Å; Y11-H15 PolarHBondContact O-N 2.76Å; Y11-L310 HydrophobicContact CD1-CD1 3.8Å; Y11-L310 HydrophobicContact CD1-CG 4.23Å; Y11-L310 HydrophobicContact CE1-CD1 3.24Å; Y11-L310 HydrophobicContact CE1-CG 4.16Å; Y11-G312 PolarHBondContact N-O 3.12Å; Y11-R314 PolarHBondContact N-O 2.97Å; Y11-V316 HydrophobicContact CD2-CG1 4.35Å; Y11-V316 HydrophobicContact CD2-CG2 4.21Å; Y11-P322 HydrophobicContact CE2-CB 4.23Å; Y11-P322 HydrophobicContact CE2-CG 3.83Å; Y11-P322 WeakPolarHBondContact OH-CB 3.35Å
12Y95.5Very high84.5Confident48 Ų4881 Ų8119%0.18838%0.383CS..Hα-helixtrans-59.6-23.1179.782.9-91.9000113.7P10 F21 G312P10-Y12 HydrophobicContact CB-CD1 3.57Å; P10-Y12 HydrophobicContact CB-CE1 3.45Å; P10-Y12 VanDerWaalsContact CB-CE1 3.45Å; P10-Y12 HydrophobicContact CG-CE1 4.16Å; P10-Y12 PolarHBondContact O-N 3.32Å; P10-Y12 VanDerWaalsContact O-N 3.09Å; Y12-F21 HydrophobicContact CD2-CB 3.92Å; Y12-F21 HydrophobicContact CD2-CD2 4.37Å; Y12-F21 HydrophobicContact CD2-CG 4.2Å; Y12-F21 HydrophobicContact CG-CB 4.37Å; Y12-F21 HydrophobicContact CG-CG 4.34Å; Y12-G312 WeakPolarHBondContact CB-O 3.02Å; Y12-G312 WeakPolarHBondContact CD1-O 3.4Å; Y12-G312 PolarHBondContact N-O 2.75Å
13R94.2Very high86.9Confident141 Ų14175.9 Ų75.953%0.53237%0.368SS..Hα-helixtrans-81.1-23.8174.1-62.6-170.8179.3-138.61.7113I9 P10 Y11I9-R13 HydrophobicContact CG2-CB 4.07Å; P10-R13 WeakPolarHBondContact O-CB 3.5Å; P10-R13 PolarHBondContact O-N 2.61Å; Y11-R13 PolarHBondContact O-N 3.26Å; Y11-R13 VanDerWaalsContact O-N 3.08Å
14L94.7Very high89.1Confident3 Ų376 Ų762%0.01636%0.364CS..Hα-helixtrans-93.9-5.5177.6-57.1172.5000111.9I9 Y11 P16 V316 W321 P322 A325I9-L14 HydrophobicContact CB-CD1 4.2Å; I9-L14 HydrophobicContact CB-CG 4.4Å; I9-L14 HydrophobicContact CD1-CD2 4.34Å; I9-L14 HydrophobicContact CG2-CD1 4.36Å; I9-L14 HydrophobicContact CG2-CD2 4.15Å; I9-L14 HydrophobicContact CG2-CG 4.04Å; Y11-L14 CarbonylContact O-C 3.55Å; Y11-L14 WeakPolarHBondContact O-CA 3.21Å; Y11-L14 PolarHBondContact O-N 3.44Å; L14-P16 WeakPolarHBondContact O-CD 3.33Å; L14-P16 VanDerWaalsContact O-N 3.16Å; L14-V316 HydrophobicContact CD1-CG2 3.6Å; L14-W321 VanDerWaalsContact CD1-CD1 3.48Å; L14-W321 HydrophobicContact CD1-CD2 4.27Å; L14-W321 HydrophobicContact CD1-CG 4.04Å; L14-W321 HydrophobicContact CD2-CD2 4.25Å; L14-W321 HydrophobicContact CD2-CZ2 4.16Å; L14-P322 HydrophobicContact CB-CG 4.42Å; L14-A325 HydrophobicContact CB-CB 4.22Å; L14-A325 HydrophobicContact CD2-CB 4.45Å
15H95.7Very high91.1Very high19 Ų1968.6 Ų68.69%0.08833%0.325CS..  trans-63.4113.4-174.2-179.975000110.9Y11 G17 F21 N171Y11-H15 HydrophobicContact CE1-CB 4.35Å; Y11-H15 PolarHBondContact O-N 2.76Å; H15-G17 PolarHBondContact CD2-N 3.13Å; H15-G17 WeakPolarHBondContact NE2-CA 3.34Å; H15-G17 PolarHBondContact NE2-N 3.45Å; H15-G17 PolarHBondContact O-N 2.94Å; H15-F21 HydrophobicContact CB-CE2 3.58Å; H15-F21 HydrophobicContact CB-CZ 3.88Å; H15-F21 AromaticContact CD2-CE2 3.52Å; H15-F21 AromaticContact CD2-CZ 3.81Å; H15-F21 AromaticContact CG-CE2 3.55Å; H15-F21 AromaticContact CG-CZ 3.62Å; H15-N171 PolarHBondContact CE1-ND2 3.35Å; H15-N171 PolarHBondContact CE1-OD1 2.85Å; H15-N171 VanDerWaalsContact CE1-OD1 3.23Å; H15-N171 PolarHBondContact NE2-ND2 2.87Å
16P95.3Very high93Very high30 Ų3068.7 Ų68.720%0.19532%0.318CS..  trans-84.2-9.9-172.932.6-35.6000113.9L14 R94 P322 V323L14-P16 WeakPolarHBondContact O-CD 3.33Å; L14-P16 VanDerWaalsContact O-N 3.16Å; P16-R94 HydrophobicContact CG-CG 4Å; P16-P322 HydrophobicContact CG-CB 4.36Å; P16-P322 HydrophobicContact CG-CG 4.39Å; P16-V323 WeakPolarHBondContact CG-O 3.38Å
17G95.3Very high94.5Very high13 Ų1366.4 Ų66.413%0.13430%0.303CS..SBendtrans-74.2176.6177.100000112.9H15 N19H15-G17 PolarHBondContact CD2-N 3.13Å; H15-G17 WeakPolarHBondContact NE2-CA 3.34Å; H15-G17 PolarHBondContact NE2-N 3.45Å; H15-G17 PolarHBondContact O-N 2.94Å; G17-N19 VanDerWaalsContact C-N 3.28Å; G17-N19 PolarHBondContact O-N 3.27Å
18R96.4Very high95.2Very high139 Ų13959.9 Ų59.953%0.52527%0.269SS..SBendtrans-85.11.5-175.9-64.4173.4-176.6178.4-1.1113.5R31 S167 S168 C169 D170R18-R31 WeakPolarHBondContact O-CB 3.28Å; R18-S167 PolarHBondContact NH1-O 2.98Å; R18-S168 WeakPolarHBondContact CD-O 3.49Å; R18-C169 PolarHBondContact N-O 2.97Å; R18-D170 HydrophobicContact CB-CB 4.45Å; R18-D170 HydrophobicContact CG-CB 3.85Å
19N97Very high95.5Very high13 Ų1353.1 Ų53.17%0.0725%0.245CC..  trans-68.5148.6177.9-71.4100.9000111.8G17 V28 F29 N171G17-N19 VanDerWaalsContact C-N 3.28Å; G17-N19 PolarHBondContact O-N 3.27Å; N19-V28 HydrophobicContact CB-CG2 3.59Å; N19-F29 WeakPolarHBondContact CA-O 3.34Å; N19-F29 WeakPolarHBondContact CB-O 3.29Å; N19-F29 PolarHBondContact ND2-O 2.97Å; N19-N171 PolarHBondContact OD1-ND2 3.47Å
20R96.6Very high95.7Very high138 Ų13852.7 Ų52.752%0.52124%0.243SC..EExtended strand (participates in β ladder)trans-103.1155.7167.5-67.3-172.7-173.8-123.86.3109.6V28 F29R20-V28 WeakPolarHBondContact O-CA 3.45Å; R20-F29 HydrophobicContact CB-CD1 4.44Å; R20-F29 HydrophobicContact CB-CD2 4.12Å; R20-F29 HydrophobicContact CB-CE1 3.93Å; R20-F29 HydrophobicContact CB-CE2 3.6Å; R20-F29 HydrophobicContact CB-CZ 3.49Å; R20-F29 VanDerWaalsContact CB-CZ 3.49Å; R20-F29 HydrophobicContact CG-CE2 4.35Å; R20-F29 PolarHBondContact N-O 2.98Å; R20-F29 WeakPolarHBondContact O-CD1 3.36Å; R20-F29 PolarHBondContact O-N 2.96Å
21F97Very high95.7Very high40 Ų4059.8 Ų59.818%0.17527%0.266CS..EExtended strand (participates in β ladder)trans-121.3148-179.9-64.5-92.6000111.7Y12 H15 G27 V28 L310Y12-F21 HydrophobicContact CD2-CB 3.92Å; Y12-F21 HydrophobicContact CD2-CD2 4.37Å; Y12-F21 HydrophobicContact CD2-CG 4.2Å; Y12-F21 HydrophobicContact CG-CB 4.37Å; Y12-F21 HydrophobicContact CG-CG 4.34Å; H15-F21 HydrophobicContact CB-CE2 3.58Å; H15-F21 HydrophobicContact CB-CZ 3.88Å; H15-F21 AromaticContact CD2-CE2 3.52Å; H15-F21 AromaticContact CD2-CZ 3.81Å; H15-F21 AromaticContact CG-CE2 3.55Å; H15-F21 AromaticContact CG-CZ 3.62Å; F21-G27 CarbonylContact C-O 3.55Å; F21-G27 VanDerWaalsContact CA-O 3.24Å; F21-G27 WeakPolarHBondContact CA-O 3.36Å; F21-V28 HydrophobicContact CD1-CB 3.89Å; F21-V28 HydrophobicContact CD1-CG2 4.04Å; F21-V28 HydrophobicContact CE1-CB 3.83Å; F21-V28 HydrophobicContact CE1-CG2 3.68Å; F21-V28 HydrophobicContact CZ-CG2 3.99Å; F21-L310 HydrophobicContact CE1-CD2 3.75Å; F21-L310 HydrophobicContact CZ-CD2 3.88Å
22C95.4Very high95.6Very high39 Ų3964.4 Ų64.426%0.26429%0.291SS..EExtended strand (participates in β ladder)trans-127.8169.917161.90000110.8H24 G25 R26 G27 F29C22-H24 VanDerWaalsContact C-N 3.29Å; C22-H24 PolarHBondContact O-N 3.41Å; C22-G25 PolarHBondContact O-N 3.46Å; C22-G25 VanDerWaalsContact O-N 3.12Å; C22-R26 PolarHBondContact O-N 3.47Å; C22-G27 PolarHBondContact N-O 3.27Å; C22-G27 PolarHBondContact O-N 2.93Å; C22-G27 VanDerWaalsContact O-N 3.16Å; C22-F29 HydrophobicContact CB-CE1 4.08Å
23C95.5Very high95.6Very high87 Ų8763.7 Ų63.759%0.58829%0.29SS*.G310 helixtrans52.642.4175.9-57.20000114R26C23-R26 HydrophobicContact CB-CB 4.24Å; C23-R26 WeakPolarHBondContact O-CG 3.39Å; C23-R26 PolarHBondContact O-N 3.01Å; C23-R26 PolarHBondContact O-NH1 3.16Å
24H94.6Very high95.8Very high139 Ų13960.6 Ų60.664%0.64429%0.289SS*.G310 helixtrans60.842-178.5-56.387000114.2C22 W313C22-H24 VanDerWaalsContact C-N 3.29Å; C22-H24 PolarHBondContact O-N 3.41Å; H24-W313 WeakPolarHBondContact O-CB 3.16Å
25G94.2Very high95.9Very high4 Ų463.4 Ų63.44%0.04130%0.303CS..G310 helixtrans85.56.9176.700000114.5C22C22-G25 PolarHBondContact O-N 3.46Å; C22-G25 VanDerWaalsContact O-N 3.12Å
26R94.8Very high96Very high167 Ų16763.1 Ų63.163%0.6330%0.302SS*.THydrogen-bonded Turntrans-82.6-31.4176.3-68.7-174.5179.187.5-5.3113.3C22 C23 W313C22-R26 PolarHBondContact O-N 3.47Å; C23-R26 HydrophobicContact CB-CB 4.24Å; C23-R26 WeakPolarHBondContact O-CG 3.39Å; C23-R26 PolarHBondContact O-N 3.01Å; C23-R26 PolarHBondContact O-NH1 3.16Å; R26-W313 HydrophobicContact CG-CB 4.5Å; R26-W313 HydrophobicContact CG-CD2 4.45Å; R26-W313 HydrophobicContact CG-CE3 4.16Å
27G96.5Very high96.1Very high6 Ų665 Ų656%0.06231%0.313CS..EExtended strand (participates in β ladder)trans-108.7146.617300000111.3F21 C22 F86F21-G27 CarbonylContact C-O 3.55Å; F21-G27 VanDerWaalsContact CA-O 3.24Å; F21-G27 WeakPolarHBondContact CA-O 3.36Å; C22-G27 PolarHBondContact N-O 3.27Å; C22-G27 PolarHBondContact O-N 2.93Å; C22-G27 VanDerWaalsContact O-N 3.16Å; G27-F86 CarbonylContact C-O 3.56Å; G27-F86 WeakPolarHBondContact CA-O 3.42Å
28V97.6Very high96.3Very high3 Ų369 Ų692%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-141139.2179.462.90000110.2N19 R20 F21 A85 F86 D88 I91 N185N19-V28 HydrophobicContact CB-CG2 3.59Å; R20-V28 WeakPolarHBondContact O-CA 3.45Å; F21-V28 HydrophobicContact CD1-CB 3.89Å; F21-V28 HydrophobicContact CD1-CG2 4.04Å; F21-V28 HydrophobicContact CE1-CB 3.83Å; F21-V28 HydrophobicContact CE1-CG2 3.68Å; F21-V28 HydrophobicContact CZ-CG2 3.99Å; V28-A85 VanDerWaalsContact O-O 3.06Å; V28-F86 PolarHBondContact N-O 3.45Å; V28-F86 CarbonylContact O-C 3.57Å; V28-F86 WeakPolarHBondContact O-CA 3.44Å; V28-D88 HydrophobicContact CG1-CB 3.8Å; V28-I91 HydrophobicContact CG1-CD1 4.44Å; V28-I91 HydrophobicContact CG2-CD1 3.95Å; V28-N185 PolarHBondContact O-ND2 3.47Å
29F97.4Very high96.3Very high32 Ų3263.2 Ų63.214%0.1431%0.311CS..EExtended strand (participates in β ladder)trans-149.2170.8-176.956.3-79.8000110.3N19 R20 C22 M33 F86N19-F29 WeakPolarHBondContact CA-O 3.34Å; N19-F29 WeakPolarHBondContact CB-O 3.29Å; N19-F29 PolarHBondContact ND2-O 2.97Å; R20-F29 HydrophobicContact CB-CD1 4.44Å; R20-F29 HydrophobicContact CB-CD2 4.12Å; R20-F29 HydrophobicContact CB-CE1 3.93Å; R20-F29 HydrophobicContact CB-CE2 3.6Å; R20-F29 HydrophobicContact CB-CZ 3.49Å; R20-F29 VanDerWaalsContact CB-CZ 3.49Å; R20-F29 HydrophobicContact CG-CE2 4.35Å; R20-F29 PolarHBondContact N-O 2.98Å; R20-F29 WeakPolarHBondContact O-CD1 3.36Å; R20-F29 PolarHBondContact O-N 2.96Å; C22-F29 HydrophobicContact CB-CE1 4.08Å; F29-M33 HydrophobicContact CB-CE 4.12Å; F29-M33 HydrophobicContact CB-SD 4.18Å; F29-M33 HydrophobicContact CD2-CE 3.76Å; F29-M33 HydrophobicContact CD2-CG 3.76Å; F29-M33 HydrophobicContact CD2-SD 3.63Å; F29-M33 HydrophobicContact CE2-CG 4.09Å; F29-M33 HydrophobicContact CG-CE 4.2Å; F29-M33 HydrophobicContact CG-SD 4.35Å; F29-F86 HydrophobicContact CB-CD1 4.13Å; F29-F86 HydrophobicContact CB-CE1 4.22Å; F29-F86 AromaticContact CD1-CD1 3.71Å; F29-F86 HydrophobicContact CD1-CD1 3.71Å; F29-F86 AromaticContact CD1-CE1 3.73Å; F29-F86 HydrophobicContact CD1-CE1 3.73Å; F29-F86 HydrophobicContact CE1-CD1 4.43Å; F29-F86 HydrophobicContact CE1-CE1 4.21Å; F29-F86 HydrophobicContact CG-CD1 4.12Å; F29-F86 AromaticContact CG-CE1 3.94Å; F29-F86 HydrophobicContact CG-CE1 3.94Å
30S95.3Very high96.4Very high5 Ų564.5 Ų64.54%0.03532%0.317CS..  trans-71.6164177.3560000112.4D32 G184S30-D32 PolarHBondContact OG-O 2.92Å; S30-G184 PolarHBondContact N-O 2.8Å; S30-G184 WeakPolarHBondContact OG-CA 3.31Å; S30-G184 PolarHBondContact OG-O 3.27Å
31R95.5Very high96.5Very high177 Ų17762.6 Ų62.667%0.66832%0.317SS*.SBendtrans-67.3-42.2175.2-178.6174.2172.8168.6-1.2112.5R18R18-R31 WeakPolarHBondContact O-CB 3.28Å
32D93.1Very high96.5Very high110 Ų11064.8 Ų64.859%0.58833%0.33SS*.  trans-88.7124.6177.7-171.3-5.5000109.2S30 C34S30-D32 PolarHBondContact OG-O 2.92Å; D32-C34 WeakPolarHBondContact OD1-CB 3.39Å; D32-C34 PolarHBondContact OD1-N 2.99Å
33M95.8Very high96.6Very high33 Ų3363.7 Ų63.716%0.16332%0.321CS..  trans-127.712.8-177.5-64.9-63.8-82.800111.7F29 F36 T37 F86F29-M33 HydrophobicContact CB-CE 4.12Å; F29-M33 HydrophobicContact CB-SD 4.18Å; F29-M33 HydrophobicContact CD2-CE 3.76Å; F29-M33 HydrophobicContact CD2-CG 3.76Å; F29-M33 HydrophobicContact CD2-SD 3.63Å; F29-M33 HydrophobicContact CE2-CG 4.09Å; F29-M33 HydrophobicContact CG-CE 4.2Å; F29-M33 HydrophobicContact CG-SD 4.35Å; M33-F36 HydrophobicContact CB-CD1 4.49Å; M33-F36 HydrophobicContact CE-CB 4.18Å; M33-F36 HydrophobicContact CE-CD1 3.46Å; M33-F36 VanDerWaalsContact CE-CD1 3.46Å; M33-F36 HydrophobicContact CE-CD2 4.07Å; M33-F36 HydrophobicContact CE-CE1 3.77Å; M33-F36 HydrophobicContact CE-CE2 4.31Å; M33-F36 HydrophobicContact CE-CG 3.61Å; M33-F36 HydrophobicContact CE-CZ 4.18Å; M33-F36 HydrophobicContact SD-CB 4.29Å; M33-F36 HydrophobicContact SD-CG 4.37Å; M33-T37 WeakPolarHBondContact O-CB 3.45Å; M33-T37 PolarHBondContact O-N 3.24Å; M33-T37 PolarHBondContact O-OG1 3.27Å; M33-F86 HydrophobicContact CE-CE1 4.35Å; M33-F86 HydrophobicContact CE-CZ 4.36Å
34C97.4Very high96.7Very high75 Ų7562.5 Ų62.551%0.50731%0.308SS..Hα-helixtrans-62.9-54.1-177.7-176.10000111.3D32 F36 T37 I38D32-C34 WeakPolarHBondContact OD1-CB 3.39Å; D32-C34 PolarHBondContact OD1-N 2.99Å; C34-F36 VanDerWaalsContact C-N 3.34Å; C34-F36 PolarHBondContact O-N 2.92Å; C34-T37 WeakPolarHBondContact O-CB 3.31Å; C34-T37 PolarHBondContact O-N 3.45Å; C34-T37 VanDerWaalsContact O-N 3.09Å; C34-I38 WeakPolarHBondContact O-CG1 3.44Å; C34-I38 PolarHBondContact O-N 3.49Å
35I97.7Very high96.9Very high62 Ų6258.8 Ų58.832%0.31830%0.298SS..Hα-helixtrans-65.4-37.7179.9-58.6176.7000111.1T37 I38 T39 P181 W182I35-T37 VanDerWaalsContact C-N 3.32Å; I35-T37 PolarHBondContact O-N 3.42Å; I35-I38 PolarHBondContact O-N 3.07Å; I35-T39 WeakPolarHBondContact O-CB 3.32Å; I35-T39 PolarHBondContact O-N 3.27Å; I35-T39 PolarHBondContact O-OG1 2.94Å; I35-P181 HydrophobicContact CB-CB 4.25Å; I35-P181 HydrophobicContact CD1-CB 3.71Å; I35-P181 HydrophobicContact CG2-CB 4.3Å; I35-W182 HydrophobicContact CG2-CD2 3.67Å; I35-W182 HydrophobicContact CG2-CE3 3.42Å; I35-W182 VanDerWaalsContact CG2-CE3 3.42Å; I35-W182 HydrophobicContact CG2-CG 4.19Å; I35-W182 HydrophobicContact CG2-CH2 4.41Å; I35-W182 HydrophobicContact CG2-CZ3 3.82Å
36F97.8Very high97.1Very high14 Ų1459.2 Ų59.26%0.06130%0.3CS..Hα-helixtrans-54.9-47.4170.4166.5-91000112.1M33 C34 T39 L40 F81 L82 A85 F86 P181 W182 I183M33-F36 HydrophobicContact CB-CD1 4.49Å; M33-F36 HydrophobicContact CE-CB 4.18Å; M33-F36 HydrophobicContact CE-CD1 3.46Å; M33-F36 VanDerWaalsContact CE-CD1 3.46Å; M33-F36 HydrophobicContact CE-CD2 4.07Å; M33-F36 HydrophobicContact CE-CE1 3.77Å; M33-F36 HydrophobicContact CE-CE2 4.31Å; M33-F36 HydrophobicContact CE-CG 3.61Å; M33-F36 HydrophobicContact CE-CZ 4.18Å; M33-F36 HydrophobicContact SD-CB 4.29Å; M33-F36 HydrophobicContact SD-CG 4.37Å; C34-F36 VanDerWaalsContact C-N 3.34Å; C34-F36 PolarHBondContact O-N 2.92Å; F36-T39 WeakPolarHBondContact O-CB 3.3Å; F36-T39 PolarHBondContact O-N 3.34Å; F36-L40 HydrophobicContact CE1-CD2 4.41Å; F36-L40 HydrophobicContact CZ-CD2 4.49Å; F36-L40 PolarHBondContact O-N 2.88Å; F36-F81 AromaticContact CD2-CE1 3.64Å; F36-F81 HydrophobicContact CD2-CE1 3.64Å; F36-F81 HydrophobicContact CD2-CE2 4.24Å; F36-F81 AromaticContact CD2-CZ 3.32Å; F36-F81 HydrophobicContact CD2-CZ 3.32Å; F36-F81 HydrophobicContact CE2-CD1 4Å; F36-F81 AromaticContact CE2-CE1 3.13Å; F36-F81 HydrophobicContact CE2-CE1 3.13Å; F36-F81 HydrophobicContact CE2-CE2 4.34Å; F36-F81 AromaticContact CE2-CZ 3.36Å; F36-F81 HydrophobicContact CE2-CZ 3.36Å; F36-F81 HydrophobicContact CG-CZ 4.26Å; F36-F81 AromaticContact CZ-CE1 3.72Å; F36-F81 HydrophobicContact CZ-CE1 3.72Å; F36-F81 HydrophobicContact CZ-CZ 4.29Å; F36-L82 HydrophobicContact CZ-CD2 3.99Å; F36-A85 HydrophobicContact CD2-CB 4.2Å; F36-A85 HydrophobicContact CE2-CB 3.61Å; F36-A85 HydrophobicContact CZ-CB 4.47Å; F36-F86 HydrophobicContact CZ-CE2 4.14Å; F36-F86 HydrophobicContact CZ-CZ 4.16Å; F36-P181 PolarHBondContact N-O 3.48Å; F36-W182 WeakPolarHBondContact CA-O 3.27Å; F36-I183 WeakPolarHBondContact CD2-O 3.29Å
37T98.1Very high97.3Very high68 Ų6851.6 Ų51.642%0.41727%0.272SS..Hα-helixtrans-64.8-43.5-179.1-550000110.9M33 C34 I35 T39 L40 L41M33-T37 WeakPolarHBondContact O-CB 3.45Å; M33-T37 PolarHBondContact O-N 3.24Å; M33-T37 PolarHBondContact O-OG1 3.27Å; C34-T37 WeakPolarHBondContact O-CB 3.31Å; C34-T37 PolarHBondContact O-N 3.45Å; C34-T37 VanDerWaalsContact O-N 3.09Å; I35-T37 VanDerWaalsContact C-N 3.32Å; I35-T37 PolarHBondContact O-N 3.42Å; T37-T39 VanDerWaalsContact C-N 3.32Å; T37-T39 PolarHBondContact O-N 3.05Å; T37-L40 PolarHBondContact O-N 3.14Å; T37-L41 HydrophobicContact CG2-CD1 4.14Å; T37-L41 HydrophobicContact CG2-CG 4.44Å; T37-L41 WeakPolarHBondContact O-CB 3.46Å; T37-L41 VanDerWaalsContact O-CG 3.31Å; T37-L41 WeakPolarHBondContact O-CG 3.31Å; T37-L41 PolarHBondContact O-N 3.04Å
38I97.9Very high97.3Very high98 Ų9855.5 Ų55.550%0.50329%0.294SS..Hα-helixtrans-58.9-44.4174.4-66.5167.6000110.7C34 I35 L41 L42C34-I38 WeakPolarHBondContact O-CG1 3.44Å; C34-I38 PolarHBondContact O-N 3.49Å; I35-I38 PolarHBondContact O-N 3.07Å; I38-L41 PolarHBondContact O-N 3.42Å; I38-L42 WeakPolarHBondContact O-CB 3.34Å; I38-L42 PolarHBondContact O-N 3.32Å
39T97.7Very high97.4Very high18 Ų1857.6 Ų57.611%0.1131%0.305CS..Hα-helixtrans-60.6-47.1178.4-51.10000111.4I35 F36 T37 L42 I43 F81 W182I35-T39 WeakPolarHBondContact O-CB 3.32Å; I35-T39 PolarHBondContact O-N 3.27Å; I35-T39 PolarHBondContact O-OG1 2.94Å; F36-T39 WeakPolarHBondContact O-CB 3.3Å; F36-T39 PolarHBondContact O-N 3.34Å; T37-T39 VanDerWaalsContact C-N 3.32Å; T37-T39 PolarHBondContact O-N 3.05Å; T39-L42 PolarHBondContact O-N 3.02Å; T39-I43 HydrophobicContact CG2-CD1 4.23Å; T39-I43 WeakPolarHBondContact O-CG1 3.42Å; T39-I43 PolarHBondContact O-N 2.86Å; T39-F81 HydrophobicContact CG2-CE2 3.86Å; T39-F81 HydrophobicContact CG2-CZ 4.03Å; T39-W182 PolarHBondContact OG1-O 2.85Å
40L98.2Very high97.4Very high39 Ų3956.1 Ų56.120%0.20430%0.299CS..Hα-helixtrans-62.9-45.1178.6-177.558.9000111.6F36 T37 L42 I43 I44 F81F36-L40 HydrophobicContact CE1-CD2 4.41Å; F36-L40 HydrophobicContact CZ-CD2 4.49Å; F36-L40 PolarHBondContact O-N 2.88Å; T37-L40 PolarHBondContact O-N 3.14Å; L40-L42 VanDerWaalsContact C-N 3.32Å; L40-L42 PolarHBondContact O-N 3.41Å; L40-I43 PolarHBondContact O-N 3.37Å; L40-I44 HydrophobicContact CD1-CD1 4.1Å; L40-I44 HydrophobicContact CD1-CG1 4.5Å; L40-I44 HydrophobicContact CG-CD1 3.97Å; L40-I44 VanDerWaalsContact O-CG1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.45Å; L40-I44 PolarHBondContact O-N 3.24Å; L40-F81 HydrophobicContact CB-CE1 3.97Å; L40-F81 HydrophobicContact CD1-CD1 4.18Å; L40-F81 HydrophobicContact CD1-CE1 4.08Å; L40-F81 HydrophobicContact CG-CE1 4.5Å
41L98.2Very high97.6Very high98 Ų9859.1 Ų59.151%0.51331%0.311SS..Hα-helixtrans-63.5-38.4176.9-71176.5000111.8T37 I38 I44 S45T37-L41 HydrophobicContact CG2-CD1 4.14Å; T37-L41 HydrophobicContact CG2-CG 4.44Å; T37-L41 WeakPolarHBondContact O-CB 3.46Å; T37-L41 VanDerWaalsContact O-CG 3.31Å; T37-L41 WeakPolarHBondContact O-CG 3.31Å; T37-L41 PolarHBondContact O-N 3.04Å; I38-L41 PolarHBondContact O-N 3.42Å; L41-I44 PolarHBondContact O-N 2.83Å; L41-S45 VanDerWaalsContact O-CB 3.24Å; L41-S45 WeakPolarHBondContact O-CB 3.37Å; L41-S45 PolarHBondContact O-N 2.53Å; L41-S45 PolarHBondContact O-OG 3.04Å
42L97.3Very high97.6Very high86 Ų8653 Ų5345%0.4530%0.299SS..Hα-helixtrans-62.8-47.9175.9-175.366.4000111.5I38 T39 L40 I44 S45 V46 I243I38-L42 WeakPolarHBondContact O-CB 3.34Å; I38-L42 PolarHBondContact O-N 3.32Å; T39-L42 PolarHBondContact O-N 3.02Å; L40-L42 VanDerWaalsContact C-N 3.32Å; L40-L42 PolarHBondContact O-N 3.41Å; L42-I44 VanDerWaalsContact C-N 3.32Å; L42-I44 PolarHBondContact O-N 3.31Å; L42-S45 PolarHBondContact O-N 2.8Å; L42-V46 HydrophobicContact CD1-CG2 4.22Å; L42-V46 WeakPolarHBondContact O-CB 3.41Å; L42-V46 WeakPolarHBondContact O-CG2 3.46Å; L42-V46 PolarHBondContact O-N 3.43Å; L42-I243 HydrophobicContact CD1-CD1 4.3Å; L42-I243 HydrophobicContact CD1-CG2 4.17Å
43I98.2Very high97.8Very high17 Ų1751 Ų519%0.08729%0.285CS..Hα-helixtrans-57.9-46176.6-66.8167.4000110.4T39 L40 T47 F74 V77 V78 F198T39-I43 HydrophobicContact CG2-CD1 4.23Å; T39-I43 WeakPolarHBondContact O-CG1 3.42Å; T39-I43 PolarHBondContact O-N 2.86Å; L40-I43 PolarHBondContact O-N 3.37Å; I43-T47 WeakPolarHBondContact O-CB 3.41Å; I43-T47 PolarHBondContact O-N 3.5Å; I43-T47 VanDerWaalsContact O-N 3.16Å; I43-T47 PolarHBondContact O-OG1 2.97Å; I43-F74 HydrophobicContact CG2-CD2 4.3Å; I43-F74 HydrophobicContact CG2-CE2 4.08Å; I43-V77 HydrophobicContact CD1-CG1 4.49Å; I43-V77 HydrophobicContact CG2-CG1 4.41Å; I43-V78 HydrophobicContact CG2-CG2 4.37Å; I43-F198 HydrophobicContact CD1-CE2 4.3Å
44I98.4Very high97.9Very high62 Ų6249.4 Ų49.432%0.31828%0.277SS..Hα-helixtrans-65.1-45.1178.7-68168000111L40 L41 L42 T47 V48 F74L40-I44 HydrophobicContact CD1-CD1 4.1Å; L40-I44 HydrophobicContact CD1-CG1 4.5Å; L40-I44 HydrophobicContact CG-CD1 3.97Å; L40-I44 VanDerWaalsContact O-CG1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.45Å; L40-I44 PolarHBondContact O-N 3.24Å; L41-I44 PolarHBondContact O-N 2.83Å; L42-I44 VanDerWaalsContact C-N 3.32Å; L42-I44 PolarHBondContact O-N 3.31Å; I44-T47 WeakPolarHBondContact O-CB 3.26Å; I44-T47 PolarHBondContact O-N 3.33Å; I44-V48 HydrophobicContact CG2-CG2 4.19Å; I44-V48 VanDerWaalsContact O-CG2 3.3Å; I44-V48 WeakPolarHBondContact O-CG2 3.24Å; I44-V48 PolarHBondContact O-N 3.07Å; I44-F74 HydrophobicContact CG1-CE2 4.37Å; I44-F74 HydrophobicContact CG1-CZ 4.25Å
45S97.9Very high97.9Very high61 Ų6146 Ų4643%0.42725%0.254SS..Hα-helixtrans-66.6-47.6-173.9-57.50000111.4L41 L42 T47 V48 L49L41-S45 VanDerWaalsContact O-CB 3.24Å; L41-S45 WeakPolarHBondContact O-CB 3.37Å; L41-S45 PolarHBondContact O-N 2.53Å; L41-S45 PolarHBondContact O-OG 3.04Å; L42-S45 PolarHBondContact O-N 2.8Å; S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 PolarHBondContact O-N 3.22Å; S45-V48 PolarHBondContact O-N 2.94Å; S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 3.15Å
46V98Very high97.8Very high13 Ų1352.3 Ų52.38%0.07927%0.274CS..Hα-helixtrans-58.7-41174.4171.10000110.6L42 L49 F50 I209 I243 T244L42-V46 HydrophobicContact CD1-CG2 4.22Å; L42-V46 WeakPolarHBondContact O-CB 3.41Å; L42-V46 WeakPolarHBondContact O-CG2 3.46Å; L42-V46 PolarHBondContact O-N 3.43Å; V46-L49 PolarHBondContact O-N 2.97Å; V46-F50 WeakPolarHBondContact O-CB 3.47Å; V46-F50 PolarHBondContact O-N 3.09Å; V46-I209 HydrophobicContact CG1-CD1 3.77Å; V46-I209 HydrophobicContact CG1-CG2 4.33Å; V46-I243 HydrophobicContact CG2-CB 4.31Å; V46-I243 HydrophobicContact CG2-CD1 3.96Å; V46-I243 HydrophobicContact CG2-CG2 3.71Å; V46-T244 HydrophobicContact CG1-CG2 4.18Å
47T98.4Very high97.6Very high6 Ų653.8 Ų53.84%0.03728%0.282CS..Hα-helixtrans-63.4-47.4176.2-570000111.6I43 I44 S45 L49 F50 F51 F74 Y205I43-T47 WeakPolarHBondContact O-CB 3.41Å; I43-T47 PolarHBondContact O-N 3.5Å; I43-T47 VanDerWaalsContact O-N 3.16Å; I43-T47 PolarHBondContact O-OG1 2.97Å; I44-T47 WeakPolarHBondContact O-CB 3.26Å; I44-T47 PolarHBondContact O-N 3.33Å; S45-T47 VanDerWaalsContact C-N 3.26Å; S45-T47 PolarHBondContact O-N 3.22Å; T47-L49 VanDerWaalsContact C-N 3.34Å; T47-L49 PolarHBondContact O-N 3.41Å; T47-F50 WeakPolarHBondContact O-CB 3.47Å; T47-F50 PolarHBondContact O-N 2.82Å; T47-F51 HydrophobicContact CG2-CD2 3.64Å; T47-F51 HydrophobicContact CG2-CE2 3.66Å; T47-F51 VanDerWaalsContact O-CD2 3.28Å; T47-F51 WeakPolarHBondContact O-CD2 3.34Å; T47-F51 PolarHBondContact O-N 3.22Å; T47-F74 HydrophobicContact CG2-CB 4.3Å; T47-F74 HydrophobicContact CG2-CD1 4.49Å; T47-F74 HydrophobicContact CG2-CD2 3.67Å; T47-F74 HydrophobicContact CG2-CE2 4.05Å; T47-F74 HydrophobicContact CG2-CG 3.91Å; T47-F74 VanDerWaalsContact OG1-CD2 3.23Å; T47-F74 WeakPolarHBondContact OG1-CD2 3.24Å; T47-Y205 VanDerWaalsContact CG2-OH 3.24Å; T47-Y205 WeakPolarHBondContact CG2-OH 3.47Å; T47-Y205 PolarHBondContact OG1-OH 2.59Å
48V98.3Very high97.6Very high88 Ų8850.5 Ų50.553%0.53326%0.262SS..Hα-helixtrans-61.8-42.4-179.8168.70000111.3I44 S45 F51 A52I44-V48 HydrophobicContact CG2-CG2 4.19Å; I44-V48 VanDerWaalsContact O-CG2 3.3Å; I44-V48 WeakPolarHBondContact O-CG2 3.24Å; I44-V48 PolarHBondContact O-N 3.07Å; S45-V48 PolarHBondContact O-N 2.94Å; V48-F51 PolarHBondContact O-N 3.31Å; V48-A52 VanDerWaalsContact O-CB 3.26Å; V48-A52 WeakPolarHBondContact O-CB 3.33Å; V48-A52 PolarHBondContact O-N 2.96Å
49L98.2Very high97.5Very high48 Ų4847.9 Ų47.925%0.25125%0.25SS..Hα-helixtrans-60.4-49.2175.2-70.7-179.9000111.2S45 V46 T47 F51 A52 F53 A236 I239 D240S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 3.15Å; V46-L49 PolarHBondContact O-N 2.97Å; T47-L49 VanDerWaalsContact C-N 3.34Å; T47-L49 PolarHBondContact O-N 3.41Å; L49-F51 VanDerWaalsContact C-N 3.33Å; L49-F51 PolarHBondContact O-N 3.5Å; L49-A52 PolarHBondContact O-N 3.43Å; L49-F53 HydrophobicContact CD2-CE2 4.21Å; L49-F53 WeakPolarHBondContact O-CD2 3.49Å; L49-F53 PolarHBondContact O-N 3.36Å; L49-A236 HydrophobicContact CB-CB 4.17Å; L49-A236 HydrophobicContact CD2-CB 3.96Å; L49-A236 HydrophobicContact CG-CB 4.46Å; L49-I239 HydrophobicContact CD1-CB 4.5Å; L49-I239 HydrophobicContact CD1-CG2 4Å; L49-D240 WeakPolarHBondContact CB-OD2 3.42Å
50F98.5Very high97.4Very high0 Ų052.1 Ų52.10%028%0.278CS..Iπ-helixtrans-56.3-44.6176.3-178.1-106.7000112.4V46 T47 D54 C55 V66 A70 Y208 I209 F212 D240V46-F50 WeakPolarHBondContact O-CB 3.47Å; V46-F50 PolarHBondContact O-N 3.09Å; T47-F50 WeakPolarHBondContact O-CB 3.47Å; T47-F50 PolarHBondContact O-N 2.82Å; F50-D54 HydrophobicContact CD2-CB 3.63Å; F50-D54 VanDerWaalsContact CD2-OD2 3.28Å; F50-D54 WeakPolarHBondContact CD2-OD2 3.46Å; F50-D54 HydrophobicContact CE2-CB 3.67Å; F50-D54 HydrophobicContact CG-CB 4.43Å; F50-D54 WeakPolarHBondContact O-CA 3.38Å; F50-D54 WeakPolarHBondContact O-CB 3.31Å; F50-D54 PolarHBondContact O-N 3.01Å; F50-C55 WeakPolarHBondContact CE1-SG 3.31Å; F50-C55 PolarHBondContact O-N 3.42Å; F50-V66 HydrophobicContact CZ-CG1 4.43Å; F50-A70 HydrophobicContact CD1-CB 4.33Å; F50-A70 HydrophobicContact CE1-CB 3.77Å; F50-Y208 HydrophobicContact CE1-CD1 4.4Å; F50-Y208 AromaticContact CE1-CE1 3.88Å; F50-Y208 HydrophobicContact CE1-CE1 3.88Å; F50-Y208 HydrophobicContact CZ-CD1 4.23Å; F50-Y208 AromaticContact CZ-CE1 3.77Å; F50-Y208 HydrophobicContact CZ-CE1 3.77Å; F50-I209 HydrophobicContact CB-CD1 4.39Å; F50-I209 HydrophobicContact CB-CG2 4.36Å; F50-I209 HydrophobicContact CD1-CG1 4.3Å; F50-I209 HydrophobicContact CD2-CB 4.28Å; F50-I209 HydrophobicContact CD2-CG1 4.17Å; F50-I209 HydrophobicContact CD2-CG2 3.76Å; F50-I209 HydrophobicContact CE2-CG2 4.39Å; F50-I209 HydrophobicContact CG-CD1 4.42Å; F50-I209 HydrophobicContact CG-CG1 4.07Å; F50-I209 HydrophobicContact CG-CG2 4.21Å; F50-F212 HydrophobicContact CE2-CB 3.6Å; F50-F212 HydrophobicContact CZ-CB 3.72Å; F50-F212 HydrophobicContact CZ-CG 4.34Å; F50-D240 PolarHBondContact N-OD2 2.92Å; F50-D240 VanDerWaalsContact N-OD2 3.09Å
51F98.3Very high97.2Very high68 Ų6855.1 Ų55.130%0.29829%0.294SS..Iπ-helixtrans-68.1-42.2177.8-87.8-83.3000113.2T47 V48 L49 C55 R56 P67 A70 A71T47-F51 HydrophobicContact CG2-CD2 3.64Å; T47-F51 HydrophobicContact CG2-CE2 3.66Å; T47-F51 VanDerWaalsContact O-CD2 3.28Å; T47-F51 WeakPolarHBondContact O-CD2 3.34Å; T47-F51 PolarHBondContact O-N 3.22Å; V48-F51 PolarHBondContact O-N 3.31Å; L49-F51 VanDerWaalsContact C-N 3.33Å; L49-F51 PolarHBondContact O-N 3.5Å; F51-C55 HydrophobicContact CD1-CB 4.2Å; F51-R56 PolarHBondContact O-N 2.94Å; F51-P67 HydrophobicContact CD1-CB 4.24Å; F51-P67 HydrophobicContact CE1-CB 3.66Å; F51-P67 WeakPolarHBondContact CE1-O 3.35Å; F51-P67 WeakPolarHBondContact CZ-O 3.44Å; F51-A70 HydrophobicContact CE2-CB 4.21Å; F51-A70 HydrophobicContact CZ-CB 3.9Å; F51-A71 HydrophobicContact CZ-CB 3.92Å
52A96.8Very high97Very high49 Ų4954.5 Ų54.541%0.40529%0.29SS..Iπ-helixtrans-71.7-32.8-17500000113.1V48 L49 R56V48-A52 VanDerWaalsContact O-CB 3.26Å; V48-A52 WeakPolarHBondContact O-CB 3.33Å; V48-A52 PolarHBondContact O-N 2.96Å; L49-A52 PolarHBondContact O-N 3.43Å; A52-R56 WeakPolarHBondContact O-CB 3.36Å; A52-R56 WeakPolarHBondContact O-CD 3.39Å
53F96.4Very high96.9Very high68 Ų6853.2 Ų53.230%0.29829%0.286SS..Iπ-helixtrans-108.7-64.7-174.4-70-97.7000111.9L49 L57 P235 A236L49-F53 HydrophobicContact CD2-CE2 4.21Å; L49-F53 WeakPolarHBondContact O-CD2 3.49Å; L49-F53 PolarHBondContact O-N 3.36Å; F53-L57 WeakPolarHBondContact O-CG 3.37Å; F53-L57 PolarHBondContact O-N 2.99Å; F53-P235 HydrophobicContact CE1-CG 4.22Å; F53-A236 HydrophobicContact CB-CB 3.96Å; F53-A236 HydrophobicContact CD1-CB 3.84Å; F53-A236 HydrophobicContact CD2-CB 3.23Å; F53-A236 HydrophobicContact CE1-CB 4.09Å; F53-A236 HydrophobicContact CE2-CB 3.54Å; F53-A236 HydrophobicContact CG-CB 3.4Å; F53-A236 HydrophobicContact CZ-CB 3.96Å
54D97.4Very high96.9Very high0 Ų056.2 Ų56.20%031%0.307CS..Iπ-helixtrans-69.3-56.7-173.2-61.9-48.5000111.6F50 R56 L57 L58 S213 N216 S237F50-D54 HydrophobicContact CD2-CB 3.63Å; F50-D54 VanDerWaalsContact CD2-OD2 3.28Å; F50-D54 WeakPolarHBondContact CD2-OD2 3.46Å; F50-D54 HydrophobicContact CE2-CB 3.67Å; F50-D54 HydrophobicContact CG-CB 4.43Å; F50-D54 WeakPolarHBondContact O-CA 3.38Å; F50-D54 WeakPolarHBondContact O-CB 3.31Å; F50-D54 PolarHBondContact O-N 3.01Å; D54-R56 VanDerWaalsContact C-N 3.26Å; D54-R56 PolarHBondContact O-N 3.34Å; D54-L57 PolarHBondContact O-N 3.09Å; D54-L57 VanDerWaalsContact O-N 3.14Å; D54-L58 HydrophobicContact CB-CD1 4.25Å; D54-L58 VanDerWaalsContact O-CB 3.3Å; D54-L58 WeakPolarHBondContact O-CB 3.26Å; D54-L58 VanDerWaalsContact O-CG 3.24Å; D54-L58 WeakPolarHBondContact O-CG 3.5Å; D54-L58 PolarHBondContact O-N 3.29Å; D54-S213 WeakPolarHBondContact OD2-CB 3.22Å; D54-S213 PolarHBondContact OD2-OG 2.95Å; D54-N216 HydrophobicContact CB-CB 4.43Å; D54-N216 WeakPolarHBondContact OD1-CB 3.49Å; D54-N216 PolarHBondContact OD1-ND2 3.41Å; D54-S237 WeakPolarHBondContact OD1-CB 3.27Å; D54-S237 PolarHBondContact OD1-OG 3.01Å
55C97.4Very high96.8Very high3 Ų355.1 Ų55.12%0.0231%0.307CS..Iπ-helixtrans-59.4-37.7-179.4-72.80000112.2F50 F51 L57 T59 P67F50-C55 WeakPolarHBondContact CE1-SG 3.31Å; F50-C55 PolarHBondContact O-N 3.42Å; F51-C55 HydrophobicContact CD1-CB 4.2Å; C55-L57 VanDerWaalsContact C-N 3.26Å; C55-L57 PolarHBondContact O-N 3.48Å; C55-T59 WeakPolarHBondContact O-CB 3.31Å; C55-T59 PolarHBondContact O-N 2.88Å; C55-T59 PolarHBondContact O-OG1 3.33Å; C55-P67 HydrophobicContact CB-CB 4.14Å
56R96.1Very high96.8Very high194 Ų19452.4 Ų52.473%0.73229%0.288SS*.Hα-helixtrans-58.1-40.4179.3179.8-179.4172.1-138.7-2.1111.9F51 A52 D54 P60F51-R56 PolarHBondContact O-N 2.94Å; A52-R56 WeakPolarHBondContact O-CB 3.36Å; A52-R56 WeakPolarHBondContact O-CD 3.39Å; D54-R56 VanDerWaalsContact C-N 3.26Å; D54-R56 PolarHBondContact O-N 3.34Å; R56-P60 WeakPolarHBondContact O-CD 3.34Å
57L94.9Very high96.8Very high45 Ų4553 Ų5324%0.23629%0.291CS..Hα-helixtrans-85.4-41.4-179-65.8173.1000112F53 D54 C55 P60 I61 N216 L220 I233F53-L57 WeakPolarHBondContact O-CG 3.37Å; F53-L57 PolarHBondContact O-N 2.99Å; D54-L57 PolarHBondContact O-N 3.09Å; D54-L57 VanDerWaalsContact O-N 3.14Å; C55-L57 VanDerWaalsContact C-N 3.26Å; C55-L57 PolarHBondContact O-N 3.48Å; L57-P60 WeakPolarHBondContact O-CD 3.29Å; L57-P60 WeakPolarHBondContact O-CG 3.44Å; L57-I61 VanDerWaalsContact O-CD1 3.29Å; L57-I61 WeakPolarHBondContact O-CD1 3.35Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-N216 WeakPolarHBondContact CB-OD1 3.5Å; L57-N216 WeakPolarHBondContact CD1-OD1 3.28Å; L57-L220 HydrophobicContact CD1-CD1 3.99Å; L57-L220 HydrophobicContact CD1-CD2 4.23Å; L57-L220 HydrophobicContact CD1-CG 4.44Å; L57-I233 HydrophobicContact CD1-CG2 4.31Å
58L96.2Very high96.8Very high0 Ų057.4 Ų57.40%031%0.314CS..Hα-helixtrans-74.7-29.9-176.1-67.2176.4000113.8D54 I61 L62 F212 V215 N216 L219D54-L58 HydrophobicContact CB-CD1 4.25Å; D54-L58 VanDerWaalsContact O-CB 3.3Å; D54-L58 WeakPolarHBondContact O-CB 3.26Å; D54-L58 VanDerWaalsContact O-CG 3.24Å; D54-L58 WeakPolarHBondContact O-CG 3.5Å; D54-L58 PolarHBondContact O-N 3.29Å; L58-I61 PolarHBondContact O-N 2.66Å; L58-L62 HydrophobicContact CB-CD1 4.42Å; L58-L62 HydrophobicContact CD2-CD1 3.9Å; L58-L62 HydrophobicContact CD2-CG 4.4Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 PolarHBondContact O-N 3.05Å; L58-F212 HydrophobicContact CD1-CB 4.01Å; L58-F212 HydrophobicContact CD1-CD1 3.85Å; L58-F212 HydrophobicContact CD1-CG 4.38Å; L58-V215 HydrophobicContact CD2-CG1 4.16Å; L58-N216 HydrophobicContact CD1-CB 4.12Å; L58-N216 HydrophobicContact CD2-CB 4.08Å; L58-N216 HydrophobicContact CG-CB 4.09Å; L58-L219 HydrophobicContact CD2-CD1 3.63Å
59T96.8Very high96.8Very high42 Ų4257.9 Ų57.926%0.25831%0.313SS..Hα-helixtrans-57-52.4-178.1-64.70000113.4C55 I61 T63 P64 P67C55-T59 WeakPolarHBondContact O-CB 3.31Å; C55-T59 PolarHBondContact O-N 2.88Å; C55-T59 PolarHBondContact O-OG1 3.33Å; T59-I61 VanDerWaalsContact C-N 3.29Å; T59-I61 PolarHBondContact O-N 2.99Å; T59-T63 CarbonylContact O-C 3.49Å; T59-T63 PolarHBondContact O-N 3.34Å; T59-P64 HydrophobicContact CG2-CB 4.4Å; T59-P67 HydrophobicContact CG2-CG 4.42Å; T59-P67 WeakPolarHBondContact OG1-CD 3.35Å; T59-P67 WeakPolarHBondContact OG1-CG 3.49Å
60P95.2Very high96.8Very high107 Ų10755.6 Ų55.670%0.69530%0.301SS*.Hα-helixtrans-71.6-22.1178.128-35.9000113.6R56 L57R56-P60 WeakPolarHBondContact O-CD 3.34Å; L57-P60 WeakPolarHBondContact O-CD 3.29Å; L57-P60 WeakPolarHBondContact O-CG 3.44Å
61I94.5Very high96.8Very high103 Ų10357.2 Ų57.253%0.52832%0.315SS..Hα-helixtrans-87.2-44-176.3-62.2173.1000111.6L57 L58 T59 L219L57-I61 VanDerWaalsContact O-CD1 3.29Å; L57-I61 WeakPolarHBondContact O-CD1 3.35Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L58-I61 PolarHBondContact O-N 2.66Å; T59-I61 VanDerWaalsContact C-N 3.29Å; T59-I61 PolarHBondContact O-N 2.99Å; I61-L219 HydrophobicContact CG2-CD1 4.11Å
62L94Very high96.8Very high84 Ų8458.8 Ų58.844%0.4433%0.325SS..THydrogen-bonded Turntrans-102.2-72.8-174.5-61.8-177.8000111.6L58 F212 V215 L219L58-L62 HydrophobicContact CB-CD1 4.42Å; L58-L62 HydrophobicContact CD2-CD1 3.9Å; L58-L62 HydrophobicContact CD2-CG 4.4Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 PolarHBondContact O-N 3.05Å; L62-F212 HydrophobicContact CD1-CD1 4.47Å; L62-F212 HydrophobicContact CD1-CE1 4.15Å; L62-V215 HydrophobicContact CD1-CG1 4.15Å; L62-L219 HydrophobicContact CD2-CD1 4.42Å
63T95.6Very high96.9Very high60 Ų6058.3 Ų58.337%0.36831%0.314SS..  trans-172.8146.5-176.5175.60000111.6T59 A65 V66T59-T63 CarbonylContact O-C 3.49Å; T59-T63 PolarHBondContact O-N 3.34Å; T63-A65 HydrophobicContact CG2-CB 3.86Å; T63-A65 PolarHBondContact O-N 3.32Å; T63-A65 VanDerWaalsContact O-N 3.13Å; T63-A65 PolarHBondContact OG1-N 3.05Å; T63-A65 VanDerWaalsContact OG1-N 3.14Å; T63-V66 HydrophobicContact CG2-CG2 3.91Å; T63-V66 PolarHBondContact O-N 2.96Å
64P96.7Very high97Very high80 Ų8057.2 Ų57.252%0.51931%0.309SS..THydrogen-bonded Turntrans-62.2-12.5168.827.2-36.1000113.9T59 V66 P67 I68T59-P64 HydrophobicContact CG2-CB 4.4Å; P64-V66 PolarHBondContact O-N 3.03Å; P64-P67 WeakPolarHBondContact O-CD 3.32Å; P64-P67 WeakPolarHBondContact O-CG 3.28Å; P64-I68 WeakPolarHBondContact O-CD1 3.39Å; P64-I68 VanDerWaalsContact O-CG1 3.28Å; P64-I68 WeakPolarHBondContact O-CG1 3.11Å
65A97.2Very high97Very high38 Ų3862.4 Ų62.431%0.31434%0.337SS..Hα-helixtrans-64.4-25.7174.900000113.2T63 I68 L69T63-A65 HydrophobicContact CG2-CB 3.86Å; T63-A65 PolarHBondContact O-N 3.32Å; T63-A65 VanDerWaalsContact O-N 3.13Å; T63-A65 PolarHBondContact OG1-N 3.05Å; T63-A65 VanDerWaalsContact OG1-N 3.14Å; A65-I68 PolarHBondContact O-N 3.26Å; A65-L69 WeakPolarHBondContact O-CB 3.35Å; A65-L69 VanDerWaalsContact O-CG 3.29Å; A65-L69 WeakPolarHBondContact O-CG 3.48Å; A65-L69 PolarHBondContact O-N 3Å
66V97.5Very high97.1Very high5 Ų567.3 Ų67.33%0.0336%0.355CS..Hα-helixtrans-58.7-63.2179.8177.10000111.5F50 T63 P64 I68 L69 A70 Y208 F212F50-V66 HydrophobicContact CZ-CG1 4.43Å; T63-V66 HydrophobicContact CG2-CG2 3.91Å; T63-V66 PolarHBondContact O-N 2.96Å; P64-V66 PolarHBondContact O-N 3.03Å; V66-I68 VanDerWaalsContact C-N 3.27Å; V66-I68 PolarHBondContact O-N 3.27Å; V66-L69 PolarHBondContact O-N 3.39Å; V66-A70 WeakPolarHBondContact O-CB 3.3Å; V66-A70 PolarHBondContact O-N 3.44Å; V66-Y208 WeakPolarHBondContact CA-OH 3.48Å; V66-Y208 PolarHBondContact O-OH 2.91Å; V66-F212 HydrophobicContact CG1-CD1 4.06Å; V66-F212 HydrophobicContact CG1-CE1 4.1Å; V66-F212 HydrophobicContact CG1-CG 4.31Å; V66-F212 HydrophobicContact CG1-CZ 4.42Å; V66-F212 HydrophobicContact CG2-CD1 4.34Å; V66-F212 HydrophobicContact CG2-CE1 3.65Å; V66-F212 HydrophobicContact CG2-CZ 3.97Å
67P97.9Very high97.2Very high24 Ų2458 Ų5816%0.15632%0.321CS..Hα-helixtrans-62.7-31.8178.725.1-36.3000113.4F51 C55 T59 P64 A71F51-P67 HydrophobicContact CD1-CB 4.24Å; F51-P67 HydrophobicContact CE1-CB 3.66Å; F51-P67 WeakPolarHBondContact CE1-O 3.35Å; F51-P67 WeakPolarHBondContact CZ-O 3.44Å; C55-P67 HydrophobicContact CB-CB 4.14Å; T59-P67 HydrophobicContact CG2-CG 4.42Å; T59-P67 WeakPolarHBondContact OG1-CD 3.35Å; T59-P67 WeakPolarHBondContact OG1-CG 3.49Å; P64-P67 WeakPolarHBondContact O-CD 3.32Å; P64-P67 WeakPolarHBondContact O-CG 3.28Å; P67-A71 WeakPolarHBondContact O-CB 3.23Å; P67-A71 PolarHBondContact O-N 2.67Å
68I98.2Very high97.4Very high100 Ų10057.1 Ų57.151%0.51332%0.317SS..Hα-helixtrans-66.1-50.1-179.8-66170.2000110.8P64 A65 V66 A70 A71 I72P64-I68 WeakPolarHBondContact O-CD1 3.39Å; P64-I68 VanDerWaalsContact O-CG1 3.28Å; P64-I68 WeakPolarHBondContact O-CG1 3.11Å; A65-I68 PolarHBondContact O-N 3.26Å; V66-I68 VanDerWaalsContact C-N 3.27Å; V66-I68 PolarHBondContact O-N 3.27Å; I68-A70 VanDerWaalsContact C-N 3.33Å; I68-A70 PolarHBondContact O-N 3.21Å; I68-A71 PolarHBondContact O-N 3.47Å; I68-I72 HydrophobicContact CG2-CD1 4.04Å; I68-I72 WeakPolarHBondContact O-CG1 3.3Å; I68-I72 PolarHBondContact O-N 3.28Å
69L98.3Very high97.5Very high97 Ų9761 Ų6151%0.50834%0.34SS..Hα-helixtrans-65.8-38.1178.7-68176.1000111.4A65 V66 A71 I72 Q73A65-L69 WeakPolarHBondContact O-CB 3.35Å; A65-L69 VanDerWaalsContact O-CG 3.29Å; A65-L69 WeakPolarHBondContact O-CG 3.48Å; A65-L69 PolarHBondContact O-N 3Å; V66-L69 PolarHBondContact O-N 3.39Å; L69-A71 VanDerWaalsContact C-N 3.35Å; L69-A71 PolarHBondContact O-N 2.88Å; L69-I72 PolarHBondContact O-N 2.97Å; L69-Q73 WeakPolarHBondContact O-CB 3.42Å; L69-Q73 PolarHBondContact O-N 3.44Å
70A98.4Very high97.6Very high0 Ų059.3 Ų59.30%033%0.331CS..Hα-helixtrans-60.4-42.6173.700000112.2F50 F51 V66 I68 Q73 F74 Y208F50-A70 HydrophobicContact CD1-CB 4.33Å; F50-A70 HydrophobicContact CE1-CB 3.77Å; F51-A70 HydrophobicContact CE2-CB 4.21Å; F51-A70 HydrophobicContact CZ-CB 3.9Å; V66-A70 WeakPolarHBondContact O-CB 3.3Å; V66-A70 PolarHBondContact O-N 3.44Å; I68-A70 VanDerWaalsContact C-N 3.33Å; I68-A70 PolarHBondContact O-N 3.21Å; A70-Q73 PolarHBondContact O-N 3.06Å; A70-F74 VanDerWaalsContact O-CB 3.31Å; A70-F74 WeakPolarHBondContact O-CB 3.33Å; A70-F74 PolarHBondContact O-N 3.19Å; A70-Y208 HydrophobicContact CB-CE1 3.78Å
71A98.5Very high97.8Very high35 Ų3554.2 Ų54.229%0.28930%0.298SS..Hα-helixtrans-65.9-43.6178.400000111.8F51 P67 I68 L69 Q73 F74 L75F51-A71 HydrophobicContact CZ-CB 3.92Å; P67-A71 WeakPolarHBondContact O-CB 3.23Å; P67-A71 PolarHBondContact O-N 2.67Å; I68-A71 PolarHBondContact O-N 3.47Å; L69-A71 VanDerWaalsContact C-N 3.35Å; L69-A71 PolarHBondContact O-N 2.88Å; A71-Q73 VanDerWaalsContact C-N 3.35Å; A71-Q73 PolarHBondContact O-N 3.4Å; A71-F74 PolarHBondContact O-N 3.24Å; A71-L75 VanDerWaalsContact O-CG 3.3Å; A71-L75 WeakPolarHBondContact O-CG 3.3Å; A71-L75 PolarHBondContact O-N 2.88Å
72I98.6Very high97.9Very high101 Ų10152.2 Ų52.252%0.51829%0.288SS..Hα-helixtrans-60-47.6176.2-68.6167.3000110.2I68 L69 L75 Y76I68-I72 HydrophobicContact CG2-CD1 4.04Å; I68-I72 WeakPolarHBondContact O-CG1 3.3Å; I68-I72 PolarHBondContact O-N 3.28Å; L69-I72 PolarHBondContact O-N 2.97Å; I72-L75 PolarHBondContact O-N 3.43Å; I72-Y76 PolarHBondContact O-N 3.47Å
73Q98.6Very high98.1Very high38 Ų3854.7 Ų54.718%0.17829%0.291CS..Hα-helixtrans-66.7-40.7-179.1-172.167.3-11.300112L69 A70 A71 L75 Y76 V77 S201 Y205L69-Q73 WeakPolarHBondContact O-CB 3.42Å; L69-Q73 PolarHBondContact O-N 3.44Å; A70-Q73 PolarHBondContact O-N 3.06Å; A71-Q73 VanDerWaalsContact C-N 3.35Å; A71-Q73 PolarHBondContact O-N 3.4Å; Q73-L75 PolarHBondContact O-N 3.3Å; Q73-Y76 PolarHBondContact O-N 2.73Å; Q73-V77 HydrophobicContact CG-CG2 4.46Å; Q73-V77 VanDerWaalsContact O-CG2 3.3Å; Q73-V77 WeakPolarHBondContact O-CG2 3.3Å; Q73-V77 PolarHBondContact O-N 3.49Å; Q73-S201 PolarHBondContact NE2-O 2.96Å; Q73-Y205 HydrophobicContact CB-CD2 3.91Å; Q73-Y205 HydrophobicContact CB-CE2 4.31Å; Q73-Y205 HydrophobicContact CG-CD2 3.53Å; Q73-Y205 HydrophobicContact CG-CE2 4.39Å; Q73-Y205 HydrophobicContact CG-CG 3.89Å
74F98.7Very high98.3Very high45 Ų4551.8 Ų51.820%0.19727%0.274CS..Hα-helixtrans-56.5-49.6173.4169.4-106.7000111.8I43 I44 T47 A70 A71 Y76 V77 V78 Y205I43-F74 HydrophobicContact CG2-CD2 4.3Å; I43-F74 HydrophobicContact CG2-CE2 4.08Å; I44-F74 HydrophobicContact CG1-CE2 4.37Å; I44-F74 HydrophobicContact CG1-CZ 4.25Å; T47-F74 HydrophobicContact CG2-CB 4.3Å; T47-F74 HydrophobicContact CG2-CD1 4.49Å; T47-F74 HydrophobicContact CG2-CD2 3.67Å; T47-F74 HydrophobicContact CG2-CE2 4.05Å; T47-F74 HydrophobicContact CG2-CG 3.91Å; T47-F74 VanDerWaalsContact OG1-CD2 3.23Å; T47-F74 WeakPolarHBondContact OG1-CD2 3.24Å; A70-F74 VanDerWaalsContact O-CB 3.31Å; A70-F74 WeakPolarHBondContact O-CB 3.33Å; A70-F74 PolarHBondContact O-N 3.19Å; A71-F74 PolarHBondContact O-N 3.24Å; F74-Y76 VanDerWaalsContact C-N 3.29Å; F74-Y76 PolarHBondContact O-N 2.93Å; F74-V77 PolarHBondContact O-N 3.38Å; F74-V78 HydrophobicContact CD2-CG2 3.98Å; F74-V78 HydrophobicContact CE1-CG2 4.27Å; F74-V78 HydrophobicContact CE2-CG2 3.57Å; F74-V78 HydrophobicContact CZ-CG2 3.73Å; F74-V78 WeakPolarHBondContact O-CG2 3.39Å; F74-V78 PolarHBondContact O-N 2.85Å; F74-Y205 HydrophobicContact CB-CE1 4.33Å; F74-Y205 HydrophobicContact CD2-CE1 4.37Å
75L98.6Very high98.3Very high109 Ų10948 Ų4857%0.57125%0.249SC*.Hα-helixtrans-61.6-38.4178.5-69.8174.5000111.8A71 I72 Q73 T79A71-L75 VanDerWaalsContact O-CG 3.3Å; A71-L75 WeakPolarHBondContact O-CG 3.3Å; A71-L75 PolarHBondContact O-N 2.88Å; I72-L75 PolarHBondContact O-N 3.43Å; Q73-L75 PolarHBondContact O-N 3.3Å; L75-T79 VanDerWaalsContact O-CB 3.24Å; L75-T79 WeakPolarHBondContact O-CB 3.39Å; L75-T79 PolarHBondContact O-N 3.37Å; L75-T79 PolarHBondContact O-OG1 3.23Å
76Y98.7Very high98.4Very high106 Ų10649.1 Ų49.142%0.41625%0.247SC..Hα-helixtrans-65.7-47175.7-174.1-108.3000112I72 Q73 F74 T79 A80 S201I72-Y76 PolarHBondContact O-N 3.47Å; Q73-Y76 PolarHBondContact O-N 2.73Å; F74-Y76 VanDerWaalsContact C-N 3.29Å; F74-Y76 PolarHBondContact O-N 2.93Å; Y76-T79 PolarHBondContact O-N 3.48Å; Y76-A80 WeakPolarHBondContact O-CB 3.24Å; Y76-A80 PolarHBondContact O-N 2.9Å; Y76-S201 VanDerWaalsContact CD1-CB 3.44Å
77V98.7Very high98.4Very high0 Ų049.7 Ų49.70%025%0.251CS..Hα-helixtrans-58.4-50.6176.5170.20000110.8I43 Q73 F74 T79 A80 F81 F198 L202 Y205I43-V77 HydrophobicContact CD1-CG1 4.49Å; I43-V77 HydrophobicContact CG2-CG1 4.41Å; Q73-V77 HydrophobicContact CG-CG2 4.46Å; Q73-V77 VanDerWaalsContact O-CG2 3.3Å; Q73-V77 WeakPolarHBondContact O-CG2 3.3Å; Q73-V77 PolarHBondContact O-N 3.49Å; F74-V77 PolarHBondContact O-N 3.38Å; V77-T79 VanDerWaalsContact C-N 3.33Å; V77-T79 PolarHBondContact O-N 3.17Å; V77-A80 PolarHBondContact O-N 3.44Å; V77-F81 VanDerWaalsContact O-CB 3.28Å; V77-F81 WeakPolarHBondContact O-CB 3.32Å; V77-F81 PolarHBondContact O-N 3.16Å; V77-F198 HydrophobicContact CG1-CD2 4.31Å; V77-F198 HydrophobicContact CG1-CE2 4.08Å; V77-L202 HydrophobicContact CG1-CD1 4.15Å; V77-Y205 HydrophobicContact CG2-CD1 4.29Å; V77-Y205 HydrophobicContact CG2-CG 4.34Å
78V98.6Very high98.4Very high25 Ų2549 Ų4915%0.15225%0.246CC..Hα-helixtrans-62.3-42.2179.3171.40000110.7I43 F74 F81 L82I43-V78 HydrophobicContact CG2-CG2 4.37Å; F74-V78 HydrophobicContact CD2-CG2 3.98Å; F74-V78 HydrophobicContact CE1-CG2 4.27Å; F74-V78 HydrophobicContact CE2-CG2 3.57Å; F74-V78 HydrophobicContact CZ-CG2 3.73Å; F74-V78 WeakPolarHBondContact O-CG2 3.39Å; F74-V78 PolarHBondContact O-N 2.85Å; V78-F81 PolarHBondContact O-N 3.27Å; V78-L82 HydrophobicContact CG1-CD1 3.71Å; V78-L82 HydrophobicContact CG1-CG 4.2Å; V78-L82 WeakPolarHBondContact O-CB 3.23Å; V78-L82 VanDerWaalsContact O-CG 3.22Å; V78-L82 WeakPolarHBondContact O-CG 3.36Å; V78-L82 PolarHBondContact O-N 2.88Å
79T98.5Very high98.4Very high81 Ų8144.3 Ų44.350%0.49722%0.222SC..Hα-helixtrans-62.7-47.3176.7-60.70000111.2L75 Y76 V77 F81 L82 R83L75-T79 VanDerWaalsContact O-CB 3.24Å; L75-T79 WeakPolarHBondContact O-CB 3.39Å; L75-T79 PolarHBondContact O-N 3.37Å; L75-T79 PolarHBondContact O-OG1 3.23Å; Y76-T79 PolarHBondContact O-N 3.48Å; V77-T79 VanDerWaalsContact C-N 3.33Å; V77-T79 PolarHBondContact O-N 3.17Å; T79-F81 PolarHBondContact O-N 2.68Å; T79-L82 PolarHBondContact O-N 3.19Å; T79-R83 HydrophobicContact CG2-CG 4.07Å; T79-R83 WeakPolarHBondContact O-CB 3.45Å; T79-R83 WeakPolarHBondContact O-CG 3.48Å; T79-R83 PolarHBondContact O-N 2.85Å
80A98.5Very high98.4Very high8 Ų839.7 Ų39.77%0.06620%0.198CC..Hα-helixtrans-63-41.2178.100000112Y76 V77 T84 F198Y76-A80 WeakPolarHBondContact O-CB 3.24Å; Y76-A80 PolarHBondContact O-N 2.9Å; V77-A80 PolarHBondContact O-N 3.44Å; A80-T84 WeakPolarHBondContact O-CB 3.33Å; A80-T84 PolarHBondContact O-N 3.37Å; A80-T84 PolarHBondContact O-OG1 3.26Å; A80-F198 HydrophobicContact CB-CB 3.86Å
81F98.5Very high98.4Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-59-55175.2179.1-111.1000111.5F36 T39 L40 V77 V78 T79 R83 T84 A85 W182 I183 F198F36-F81 AromaticContact CD2-CE1 3.64Å; F36-F81 HydrophobicContact CD2-CE1 3.64Å; F36-F81 HydrophobicContact CD2-CE2 4.24Å; F36-F81 AromaticContact CD2-CZ 3.32Å; F36-F81 HydrophobicContact CD2-CZ 3.32Å; F36-F81 HydrophobicContact CE2-CD1 4Å; F36-F81 AromaticContact CE2-CE1 3.13Å; F36-F81 HydrophobicContact CE2-CE1 3.13Å; F36-F81 HydrophobicContact CE2-CE2 4.34Å; F36-F81 AromaticContact CE2-CZ 3.36Å; F36-F81 HydrophobicContact CE2-CZ 3.36Å; F36-F81 HydrophobicContact CG-CZ 4.26Å; F36-F81 AromaticContact CZ-CE1 3.72Å; F36-F81 HydrophobicContact CZ-CE1 3.72Å; F36-F81 HydrophobicContact CZ-CZ 4.29Å; T39-F81 HydrophobicContact CG2-CE2 3.86Å; T39-F81 HydrophobicContact CG2-CZ 4.03Å; L40-F81 HydrophobicContact CB-CE1 3.97Å; L40-F81 HydrophobicContact CD1-CD1 4.18Å; L40-F81 HydrophobicContact CD1-CE1 4.08Å; L40-F81 HydrophobicContact CG-CE1 4.5Å; V77-F81 VanDerWaalsContact O-CB 3.28Å; V77-F81 WeakPolarHBondContact O-CB 3.32Å; V77-F81 PolarHBondContact O-N 3.16Å; V78-F81 PolarHBondContact O-N 3.27Å; T79-F81 PolarHBondContact O-N 2.68Å; F81-R83 PolarHBondContact O-N 2.89Å; F81-T84 PolarHBondContact O-N 2.85Å; F81-A85 WeakPolarHBondContact O-CB 3.47Å; F81-A85 PolarHBondContact O-N 3.49Å; F81-W182 WeakPolarHBondContact CE2-O 3.24Å; F81-W182 WeakPolarHBondContact CZ-O 3.28Å; F81-I183 HydrophobicContact CD2-CD1 3.6Å; F81-I183 HydrophobicContact CE2-CD1 3.72Å; F81-F198 HydrophobicContact CB-CD2 3.7Å; F81-F198 HydrophobicContact CB-CE2 3.7Å; F81-F198 HydrophobicContact CB-CG 4.46Å; F81-F198 HydrophobicContact CB-CZ 4.44Å; F81-F198 HydrophobicContact CD2-CD2 4.23Å; F81-F198 HydrophobicContact CD2-CE1 4.01Å; F81-F198 AromaticContact CD2-CE2 3.64Å; F81-F198 HydrophobicContact CD2-CE2 3.64Å; F81-F198 AromaticContact CD2-CZ 3.51Å; F81-F198 HydrophobicContact CD2-CZ 3.51Å; F81-F198 HydrophobicContact CE2-CZ 4.2Å; F81-F198 HydrophobicContact CG-CD2 4.46Å; F81-F198 HydrophobicContact CG-CE2 4.06Å; F81-F198 HydrophobicContact CG-CZ 4.37Å
82L98.3Very high98.3Very high61 Ų6138.7 Ų38.732%0.31919%0.187SC..Hα-helixtrans-65.4-38.6-179.8-63174.2000111.8F36 V78 T79 T84 A85 F86F36-L82 HydrophobicContact CZ-CD2 3.99Å; V78-L82 HydrophobicContact CG1-CD1 3.71Å; V78-L82 HydrophobicContact CG1-CG 4.2Å; V78-L82 WeakPolarHBondContact O-CB 3.23Å; V78-L82 VanDerWaalsContact O-CG 3.22Å; V78-L82 WeakPolarHBondContact O-CG 3.36Å; V78-L82 PolarHBondContact O-N 2.88Å; T79-L82 PolarHBondContact O-N 3.19Å; L82-T84 VanDerWaalsContact C-N 3.3Å; L82-T84 PolarHBondContact O-N 3.5Å; L82-A85 PolarHBondContact O-N 2.94Å; L82-F86 HydrophobicContact CB-CD2 4.32Å; L82-F86 HydrophobicContact CD2-CD2 4.43Å; L82-F86 HydrophobicContact CD2-CE2 3.81Å; L82-F86 VanDerWaalsContact O-CD2 3.27Å; L82-F86 WeakPolarHBondContact O-CD2 3.34Å; L82-F86 PolarHBondContact O-N 2.86Å
83R98Very high98.2Very high135 Ų13535 Ų3551%0.50917%0.17SC..Hα-helixtrans-62.9-38.4175.4-71.7-72.3-78-174.7-7.1111.3T79 F81 T87 Y194T79-R83 HydrophobicContact CG2-CG 4.07Å; T79-R83 WeakPolarHBondContact O-CB 3.45Å; T79-R83 WeakPolarHBondContact O-CG 3.48Å; T79-R83 PolarHBondContact O-N 2.85Å; F81-R83 PolarHBondContact O-N 2.89Å; R83-T87 WeakPolarHBondContact O-CB 3.4Å; R83-T87 PolarHBondContact O-N 2.81Å; R83-T87 PolarHBondContact O-OG1 2.94Å; R83-Y194 HydrophobicContact CB-CD1 4.43Å; R83-Y194 HydrophobicContact CB-CG 4.29Å
84T98.3Very high98.1Very high0 Ų034.3 Ų34.30%017%0.165CC..Hα-helixtrans-67.5-46.2175.2-51.80000111.4A80 F81 L82 I183 N191 Y194 F195A80-T84 WeakPolarHBondContact O-CB 3.33Å; A80-T84 PolarHBondContact O-N 3.37Å; A80-T84 PolarHBondContact O-OG1 3.26Å; F81-T84 PolarHBondContact O-N 2.85Å; L82-T84 VanDerWaalsContact C-N 3.3Å; L82-T84 PolarHBondContact O-N 3.5Å; T84-I183 HydrophobicContact CG2-CD1 4.37Å; T84-I183 HydrophobicContact CG2-CG1 4.43Å; T84-I183 HydrophobicContact CG2-CG2 3.82Å; T84-N191 PolarHBondContact O-ND2 2.86Å; T84-N191 VanDerWaalsContact O-ND2 3.16Å; T84-Y194 VanDerWaalsContact OG1-CB 3.24Å; T84-Y194 WeakPolarHBondContact OG1-CB 3.39Å; T84-Y194 PolarHBondContact OG1-O 2.99Å; T84-F195 HydrophobicContact CG2-CB 3.63Å; T84-F195 HydrophobicContact CG2-CD2 4.36Å; T84-F195 HydrophobicContact CG2-CG 4.5Å; T84-F195 PolarHBondContact OG1-N 3.28Å; T84-F195 VanDerWaalsContact OG1-N 3.12Å
85A98.2Very high98Very high0 Ų032.2 Ų32.20%016%0.156CC..Hα-helixtrans-62.4-45.8-176.300000113.1V28 F36 F81 L82 I183 N185V28-A85 VanDerWaalsContact O-O 3.06Å; F36-A85 HydrophobicContact CD2-CB 4.2Å; F36-A85 HydrophobicContact CE2-CB 3.61Å; F36-A85 HydrophobicContact CZ-CB 4.47Å; F81-A85 WeakPolarHBondContact O-CB 3.47Å; F81-A85 PolarHBondContact O-N 3.49Å; L82-A85 PolarHBondContact O-N 2.94Å; A85-I183 HydrophobicContact CB-CG2 4.02Å; A85-I183 WeakPolarHBondContact CB-O 3.33Å; A85-N185 WeakPolarHBondContact O-CB 3.49Å; A85-N185 PolarHBondContact O-ND2 3.02Å
86F98Very high97.9Very high61 Ų6128.1 Ų28.127%0.26814%0.136SC..Hα-helixtrans-97.7-1.6-172.7-63.7-69.2000114.5G27 V28 F29 M33 F36 L82G27-F86 CarbonylContact C-O 3.56Å; G27-F86 WeakPolarHBondContact CA-O 3.42Å; V28-F86 PolarHBondContact N-O 3.45Å; V28-F86 CarbonylContact O-C 3.57Å; V28-F86 WeakPolarHBondContact O-CA 3.44Å; F29-F86 HydrophobicContact CB-CD1 4.13Å; F29-F86 HydrophobicContact CB-CE1 4.22Å; F29-F86 AromaticContact CD1-CD1 3.71Å; F29-F86 HydrophobicContact CD1-CD1 3.71Å; F29-F86 AromaticContact CD1-CE1 3.73Å; F29-F86 HydrophobicContact CD1-CE1 3.73Å; F29-F86 HydrophobicContact CE1-CD1 4.43Å; F29-F86 HydrophobicContact CE1-CE1 4.21Å; F29-F86 HydrophobicContact CG-CD1 4.12Å; F29-F86 AromaticContact CG-CE1 3.94Å; F29-F86 HydrophobicContact CG-CE1 3.94Å; M33-F86 HydrophobicContact CE-CE1 4.35Å; M33-F86 HydrophobicContact CE-CZ 4.36Å; F36-F86 HydrophobicContact CZ-CE2 4.14Å; F36-F86 HydrophobicContact CZ-CZ 4.16Å; L82-F86 HydrophobicContact CB-CD2 4.32Å; L82-F86 HydrophobicContact CD2-CD2 4.43Å; L82-F86 HydrophobicContact CD2-CE2 3.81Å; L82-F86 VanDerWaalsContact O-CD2 3.27Å; L82-F86 WeakPolarHBondContact O-CD2 3.34Å; L82-F86 PolarHBondContact O-N 2.86Å
87T97.5Very high97.6Very high18 Ų1831.4 Ų31.411%0.1115%0.148CC..SBendtrans-83.2138176.6-670000111R83 P89 N185 N191 Y194R83-T87 WeakPolarHBondContact O-CB 3.4Å; R83-T87 PolarHBondContact O-N 2.81Å; R83-T87 PolarHBondContact O-OG1 2.94Å; T87-P89 WeakPolarHBondContact O-CD 3.48Å; T87-P89 VanDerWaalsContact O-N 3.15Å; T87-N185 PolarHBondContact O-ND2 2.92Å; T87-N185 VanDerWaalsContact O-ND2 3.15Å; T87-N191 HydrophobicContact CG2-CB 3.97Å; T87-Y194 HydrophobicContact CG2-CD2 4.45Å; T87-Y194 HydrophobicContact CG2-CE2 4.21Å
88D98.1Very high97.3Very high10 Ų1034.5 Ų34.55%0.05317%0.168CC..  trans-53.8116.5167.1169.822.6000110.6V28 G90 I91 R190 S308V28-D88 HydrophobicContact CG1-CB 3.8Å; D88-G90 PolarHBondContact O-N 3.29Å; D88-G90 PolarHBondContact OD1-N 3Å; D88-I91 PolarHBondContact OD1-N 3.43Å; D88-R190 WeakPolarHBondContact O-CB 3.47Å; D88-R190 WeakPolarHBondContact O-CD 3.37Å; D88-R190 PolarHBondContact O-NE 3.32Å; D88-R190 VanDerWaalsContact O-NE 3.16Å; D88-R190 IonicContact OD2-NE 3.52Å; D88-S308 VanDerWaalsContact OD2-CB 3.26Å; D88-S308 WeakPolarHBondContact OD2-CB 3.5Å; D88-S308 PolarHBondContact OD2-OG 3.43Å
89P98.2Very high97Very high1 Ų135 Ų351%0.00617%0.168CC..  trans-71-8.4-17830.2-36.2000113.4T87 I91 V173 C186 G188 Q189 R190T87-P89 WeakPolarHBondContact O-CD 3.48Å; T87-P89 VanDerWaalsContact O-N 3.15Å; P89-I91 HydrophobicContact CG-CD1 4.49Å; P89-I91 HydrophobicContact CG-CG1 4Å; P89-V173 HydrophobicContact CB-CG1 3.97Å; P89-V173 HydrophobicContact CG-CG1 4.16Å; P89-V173 HydrophobicContact CG-CG2 4.41Å; P89-C186 HydrophobicContact CB-CB 4.17Å; P89-C186 WeakPolarHBondContact CB-O 3.35Å; P89-C186 HydrophobicContact CG-CB 3.97Å; P89-G188 CarbonylContact O-C 3.47Å; P89-G188 WeakPolarHBondContact O-CA 3.46Å; P89-Q189 PolarHBondContact O-N 3.44Å; P89-R190 PolarHBondContact O-N 3.38Å
90G97.9Very high96.8Very high0 Ų032.3 Ų32.30%015%0.151CC..  trans114.142.2-171.400000111D88 I92 V173 E174D88-G90 PolarHBondContact O-N 3.29Å; D88-G90 PolarHBondContact OD1-N 3Å; G90-I92 PolarHBondContact O-N 3.33Å; G90-V173 CarbonylContact O-C 3.11Å; G90-V173 WeakPolarHBondContact O-CA 3.31Å; G90-E174 PolarHBondContact O-N 2.93Å
91I98.4Very high96.5Very high1 Ų137.2 Ų37.21%0.00517%0.173CC..BIsolated β-bridgetrans-65125.8179.4-65171.7000109.1V28 D88 P89 N171 L310V28-I91 HydrophobicContact CG1-CD1 4.44Å; V28-I91 HydrophobicContact CG2-CD1 3.95Å; D88-I91 PolarHBondContact OD1-N 3.43Å; P89-I91 HydrophobicContact CG-CD1 4.49Å; P89-I91 HydrophobicContact CG-CG1 4Å; I91-N171 HydrophobicContact CG2-CB 3.99Å; I91-L310 HydrophobicContact CB-CB 4.35Å; I91-L310 HydrophobicContact CB-CD1 4.45Å; I91-L310 HydrophobicContact CB-CD2 4.11Å; I91-L310 HydrophobicContact CD1-CD2 4.1Å; I91-L310 HydrophobicContact CG2-CD1 3.85Å; I91-L310 HydrophobicContact CG2-CD2 4.18Å; I91-L310 HydrophobicContact CG2-CG 4.45Å
92I98Very high96.2Very high13 Ų1342.1 Ų42.17%0.06719%0.191CC..PPolyproline II helixtrans-85122.9174.4-52.5175.3000107.8G90 I157 P160 A163 C172 E174G90-I92 PolarHBondContact O-N 3.33Å; I92-I157 HydrophobicContact CB-CD1 4.17Å; I92-I157 HydrophobicContact CG2-CD1 3.54Å; I92-P160 HydrophobicContact CD1-CG 3.93Å; I92-A163 HydrophobicContact CD1-CB 3.74Å; I92-C172 HydrophobicContact CB-CB 4.21Å; I92-C172 HydrophobicContact CD1-CB 4.12Å; I92-C172 HydrophobicContact CG1-CB 4.44Å; I92-C172 PolarHBondContact N-O 3.48Å; I92-E174 HydrophobicContact CD1-CG 3.89Å; I92-E174 HydrophobicContact CG1-CG 3.65Å
93P96.9Very high95.8Very high23 Ų2339.9 Ų39.915%0.14918%0.18CC..PPolyproline II helixtrans-51.4144.1172-25.833.6000111.5L309P93-L309 HydrophobicContact CG-CB 4.43Å; P93-L309 WeakPolarHBondContact CG-O 3.49Å
94R96.5Very high95.5Very high23 Ų2336.2 Ų36.29%0.08717%0.168CC..PPolyproline II helixtrans-70.1155.6171.6-54-163.6177.9-175.33.8109.3P16 T96 S154 C155 D170 P322 V323P16-R94 HydrophobicContact CG-CG 4Å; R94-T96 PolarHBondContact O-N 3.04Å; R94-S154 WeakPolarHBondContact CD-O 3.25Å; R94-S154 PolarHBondContact NH1-O 3.47Å; R94-S154 VanDerWaalsContact NH1-O 3.13Å; R94-C155 WeakPolarHBondContact CA-O 3.24Å; R94-C155 HydrophobicContact CG-CB 4.16Å; R94-D170 IonicContact CZ-OD2 3.4Å; R94-D170 PolarHBondContact NH2-O 3.29Å; R94-D170 IonicContact NH2-OD1 3.48Å; R94-D170 PolarHBondContact NH2-OD1 3.27Å; R94-D170 IonicContact NH2-OD2 3.3Å; R94-D170 PolarHBondContact NH2-OD2 3.27Å; R94-P322 HydrophobicContact CB-CB 4.01Å; R94-V323 HydrophobicContact CB-CG1 3.82Å
95A96Very high95.2Very high1 Ų139.7 Ų39.71%0.00819%0.187CC..PPolyproline II helixtrans-59.5139.7177.400000111.1E99 I100 C155 R156 I157 V323A95-E99 WeakPolarHBondContact CA-OE2 3.47Å; A95-E99 HydrophobicContact CB-CB 3.89Å; A95-I100 HydrophobicContact CB-CD1 4.34Å; A95-I100 HydrophobicContact CB-CG1 3.64Å; A95-C155 PolarHBondContact N-O 3.49Å; A95-R156 HydrophobicContact CB-CB 4.04Å; A95-R156 WeakPolarHBondContact CB-O 3.43Å; A95-I157 HydrophobicContact CB-CG2 3.82Å; A95-V323 WeakPolarHBondContact O-CG1 3.05Å; A95-V323 PolarHBondContact O-N 2.94Å
96T95.5Very high94.8Very high24 Ų2440 Ų4015%0.14719%0.189CC..BIsolated β-bridgetrans-72.2164.3165.959.60000110.1R94 E99 I100 W321R94-T96 PolarHBondContact O-N 3.04Å; T96-E99 WeakPolarHBondContact CB-OE2 3.2Å; T96-E99 WeakPolarHBondContact CG2-OE2 3.41Å; T96-E99 PolarHBondContact N-OE2 3.48Å; T96-E99 PolarHBondContact O-N 2.94Å; T96-E99 VanDerWaalsContact O-N 3.17Å; T96-E99 VanDerWaalsContact OG1-CD 3.23Å; T96-E99 VanDerWaalsContact OG1-CG 3.24Å; T96-E99 WeakPolarHBondContact OG1-CG 3.38Å; T96-E99 PolarHBondContact OG1-OE2 3.42Å; T96-I100 WeakPolarHBondContact O-CG1 3.27Å; T96-I100 PolarHBondContact O-N 3.44Å; T96-W321 WeakPolarHBondContact CA-O 3.28Å
97R92.4Very high94.4Very high175 Ų17537.4 Ų37.466%0.6618%0.178SC*.Hα-helixtrans-54.7-47.6179.9-67.117458.8-157.9-3.6113.1E99 I100 E101R97-E99 VanDerWaalsContact C-N 3.33Å; R97-E99 PolarHBondContact O-N 2.85Å; R97-I100 WeakPolarHBondContact O-CB 3.3Å; R97-I100 PolarHBondContact O-N 3.33Å; R97-I100 VanDerWaalsContact O-N 3.14Å; R97-E101 PolarHBondContact O-N 2.81Å; R97-E101 VanDerWaalsContact O-N 3.08Å
98P92.5Very high94Very high65 Ų6538.9 Ų38.942%0.42220%0.197SC..Hα-helixtrans-63.8-37177.9-21.934.8000113I100 E101 W102P98-I100 VanDerWaalsContact C-N 3.3Å; P98-I100 PolarHBondContact O-N 3.47Å; P98-E101 PolarHBondContact O-N 2.86Å; P98-W102 WeakPolarHBondContact O-CB 3.49Å; P98-W102 PolarHBondContact O-N 3.3Å
99E93.8Very high93.5Very high34 Ų3440.5 Ų40.516%0.15921%0.207CC..Hα-helixtrans-64.6-35.1175.8-72.8169.9137.400111.7A95 T96 R97 T103 R367A95-E99 WeakPolarHBondContact CA-OE2 3.47Å; A95-E99 HydrophobicContact CB-CB 3.89Å; T96-E99 WeakPolarHBondContact CB-OE2 3.2Å; T96-E99 WeakPolarHBondContact CG2-OE2 3.41Å; T96-E99 PolarHBondContact N-OE2 3.48Å; T96-E99 PolarHBondContact O-N 2.94Å; T96-E99 VanDerWaalsContact O-N 3.17Å; T96-E99 VanDerWaalsContact OG1-CD 3.23Å; T96-E99 VanDerWaalsContact OG1-CG 3.24Å; T96-E99 WeakPolarHBondContact OG1-CG 3.38Å; T96-E99 PolarHBondContact OG1-OE2 3.42Å; R97-E99 VanDerWaalsContact C-N 3.33Å; R97-E99 PolarHBondContact O-N 2.85Å; E99-T103 VanDerWaalsContact O-CB 3.24Å; E99-T103 WeakPolarHBondContact O-CB 3.23Å; E99-T103 PolarHBondContact O-N 2.63Å; E99-T103 PolarHBondContact O-OG1 2.82Å; E99-R367 IonicContact OE1-CZ 2.73Å; E99-R367 VanDerWaalsContact OE1-CZ 3.3Å; E99-R367 IonicContact OE1-NH1 3.53Å; E99-R367 PolarHBondContact OE1-NH1 3.37Å; E99-R367 IonicContact OE1-NH2 3.52Å; E99-R367 PolarHBondContact OE1-NH2 3.09Å; E99-R367 VanDerWaalsContact OE1-NH2 3.07Å
100I93Very high92.7Very high26 Ų2640.5 Ų40.513%0.13321%0.207CC..Hα-helixtrans-67.5-49176-66.8172.5000110.7A95 T96 R97 P98 W102 T103 E104 R156 V323A95-I100 HydrophobicContact CB-CD1 4.34Å; A95-I100 HydrophobicContact CB-CG1 3.64Å; T96-I100 WeakPolarHBondContact O-CG1 3.27Å; T96-I100 PolarHBondContact O-N 3.44Å; R97-I100 WeakPolarHBondContact O-CB 3.3Å; R97-I100 PolarHBondContact O-N 3.33Å; R97-I100 VanDerWaalsContact O-N 3.14Å; P98-I100 VanDerWaalsContact C-N 3.3Å; P98-I100 PolarHBondContact O-N 3.47Å; I100-W102 VanDerWaalsContact C-N 3.3Å; I100-W102 PolarHBondContact O-N 2.78Å; I100-T103 PolarHBondContact O-N 2.98Å; I100-T103 VanDerWaalsContact O-N 3.12Å; I100-E104 HydrophobicContact CG2-CG 4.09Å; I100-E104 WeakPolarHBondContact O-CG 3.39Å; I100-E104 PolarHBondContact O-N 3.4Å; I100-R156 HydrophobicContact CD1-CB 3.89Å; I100-R156 HydrophobicContact CD1-CG 3.97Å; I100-R156 HydrophobicContact CG1-CB 3.76Å; I100-R156 HydrophobicContact CG1-CG 4.34Å; I100-V323 HydrophobicContact CD1-CB 3.52Å; I100-V323 HydrophobicContact CD1-CG1 3.97Å; I100-V323 HydrophobicContact CD1-CG2 3.7Å
101E92.6Very high91.5Very high111 Ų11142.2 Ų42.252%0.51922%0.216SC..Hα-helixtrans-57.2-46.3179.5-71168.6-168.600110.8R97 P98 T103 L105R97-E101 PolarHBondContact O-N 2.81Å; R97-E101 VanDerWaalsContact O-N 3.08Å; P98-E101 PolarHBondContact O-N 2.86Å; E101-T103 PolarHBondContact O-N 3.28Å; E101-L105 VanDerWaalsContact O-CB 3.28Å; E101-L105 WeakPolarHBondContact O-CB 3.3Å; E101-L105 PolarHBondContact O-N 3.33Å
102W91.7Very high89.7Confident103 Ų10346.5 Ų46.539%0.3924%0.239SC..Hα-helixtrans-62.6-43.3175-171.688.6000112.1P98 I100 L105 S106P98-W102 WeakPolarHBondContact O-CB 3.49Å; P98-W102 PolarHBondContact O-N 3.3Å; I100-W102 VanDerWaalsContact C-N 3.3Å; I100-W102 PolarHBondContact O-N 2.78Å; W102-L105 PolarHBondContact O-N 3.46Å; W102-S106 WeakPolarHBondContact O-CB 3.33Å; W102-S106 PolarHBondContact O-N 3.17Å; W102-S106 PolarHBondContact O-OG 3.31Å
103T91.5Very high87.6Confident14 Ų1448.7 Ų48.79%0.08626%0.255CS..Hα-helixtrans-67-42.9-179.2-58.20000111.8E99 I100 E101 S106 I107 Y151 F158E99-T103 VanDerWaalsContact O-CB 3.24Å; E99-T103 WeakPolarHBondContact O-CB 3.23Å; E99-T103 PolarHBondContact O-N 2.63Å; E99-T103 PolarHBondContact O-OG1 2.82Å; I100-T103 PolarHBondContact O-N 2.98Å; I100-T103 VanDerWaalsContact O-N 3.12Å; E101-T103 PolarHBondContact O-N 3.28Å; T103-S106 WeakPolarHBondContact CA-OG 3.48Å; T103-S106 PolarHBondContact O-N 3.42Å; T103-S106 PolarHBondContact O-OG 3.17Å; T103-I107 HydrophobicContact CG2-CD1 4.05Å; T103-I107 VanDerWaalsContact O-CG1 3.28Å; T103-I107 WeakPolarHBondContact O-CG1 3.34Å; T103-I107 PolarHBondContact O-N 2.68Å; T103-Y151 HydrophobicContact CG2-CD2 4.16Å; T103-Y151 HydrophobicContact CG2-CE2 3.63Å; T103-F158 HydrophobicContact CG2-CD2 3.83Å; T103-F158 HydrophobicContact CG2-CE2 3.68Å
104E91.6Very high85.3Confident57 Ų5753.2 Ų53.227%0.26628%0.282SS..Hα-helixtrans-69.4-36.7177.4-66.5-59.6159.300111.8I100 I107 G108 Y151 R156I100-E104 HydrophobicContact CG2-CG 4.09Å; I100-E104 WeakPolarHBondContact O-CG 3.39Å; I100-E104 PolarHBondContact O-N 3.4Å; E104-I107 PolarHBondContact O-N 3.04Å; E104-G108 PolarHBondContact O-N 3.49Å; E104-Y151 PolarHBondContact OE1-OH 3.34Å; E104-R156 VanDerWaalsContact CD-NH2 3.29Å; E104-R156 IonicContact OE1-CZ 3.54Å; E104-R156 IonicContact OE1-NH1 3.16Å; E104-R156 PolarHBondContact OE1-NH1 2.9Å; E104-R156 VanDerWaalsContact OE1-NH1 3.16Å; E104-R156 IonicContact OE1-NH2 2.7Å; E104-R156 PolarHBondContact OE1-NH2 2.86Å
105L90.7Very high82.7Confident74 Ų7458.5 Ų58.539%0.38731%0.312SS..Hα-helixtrans-61.2-45.2171.3-178.765.4000111.4E101 W102 I107 G108 T109E101-L105 VanDerWaalsContact O-CB 3.28Å; E101-L105 WeakPolarHBondContact O-CB 3.3Å; E101-L105 PolarHBondContact O-N 3.33Å; W102-L105 PolarHBondContact O-N 3.46Å; L105-I107 VanDerWaalsContact C-N 3.32Å; L105-I107 PolarHBondContact O-N 3.33Å; L105-G108 PolarHBondContact O-N 2.78Å; L105-T109 HydrophobicContact CD1-CG2 3.88Å; L105-T109 HydrophobicContact CG-CG2 4.43Å; L105-T109 WeakPolarHBondContact O-CB 3.22Å; L105-T109 WeakPolarHBondContact O-CG2 3.05Å; L105-T109 PolarHBondContact O-N 3.43Å; L105-T109 PolarHBondContact O-OG1 3.23Å
106S89.4Confident80.1Confident5 Ų565 Ų654%0.03535%0.347CS..Hα-helixtrans-62.6-38.8177.772.50000112.2W102 T103 G110 D111 R138W102-S106 WeakPolarHBondContact O-CB 3.33Å; W102-S106 PolarHBondContact O-N 3.17Å; W102-S106 PolarHBondContact O-OG 3.31Å; T103-S106 WeakPolarHBondContact CA-OG 3.48Å; T103-S106 PolarHBondContact O-N 3.42Å; T103-S106 PolarHBondContact O-OG 3.17Å; S106-G110 PolarHBondContact O-N 3.37Å; S106-D111 WeakPolarHBondContact CB-OD1 3.24Å; S106-D111 PolarHBondContact O-N 3.12Å; S106-R138 PolarHBondContact OG-NH2 2.85Å
107I89.7Confident77.7Confident8 Ų868.5 Ų68.54%0.04137%0.372CS..Hα-helixtrans-66.3-46.8173.7-70166.7000110.1T103 E104 L105 T109 G134 Y151 F158T103-I107 HydrophobicContact CG2-CD1 4.05Å; T103-I107 VanDerWaalsContact O-CG1 3.28Å; T103-I107 WeakPolarHBondContact O-CG1 3.34Å; T103-I107 PolarHBondContact O-N 2.68Å; E104-I107 PolarHBondContact O-N 3.04Å; L105-I107 VanDerWaalsContact C-N 3.32Å; L105-I107 PolarHBondContact O-N 3.33Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.94Å; I107-G134 PolarHBondContact O-N 3.3Å; I107-Y151 HydrophobicContact CD1-CD2 4.17Å; I107-Y151 HydrophobicContact CD1-CE2 4.25Å; I107-Y151 HydrophobicContact CD1-CG 4.32Å; I107-F158 HydrophobicContact CD1-CE2 3.94Å; I107-F158 HydrophobicContact CD1-CZ 3.9Å; I107-F158 HydrophobicContact CG1-CE2 3.85Å; I107-F158 HydrophobicContact CG1-CZ 3.7Å
108G89.8Confident75.3Confident49 Ų4966.6 Ų66.651%0.50538%0.375SS..Hα-helixtrans-65.9-32.3-177.900000113.9E104 L105 P133E104-G108 PolarHBondContact O-N 3.49Å; L105-G108 PolarHBondContact O-N 2.78Å; G108-P133 WeakPolarHBondContact O-CB 3.21Å
109T87.7Confident73Confident43 Ų4371.1 Ų71.126%0.26440%0.396SS..Hα-helixtrans-99.1-19-17658.40000114.1L105 I107 R129L105-T109 HydrophobicContact CD1-CG2 3.88Å; L105-T109 HydrophobicContact CG-CG2 4.43Å; L105-T109 WeakPolarHBondContact O-CB 3.22Å; L105-T109 WeakPolarHBondContact O-CG2 3.05Å; L105-T109 PolarHBondContact O-N 3.43Å; L105-T109 PolarHBondContact O-OG1 3.23Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.94Å; T109-R129 WeakPolarHBondContact O-CD 3.35Å
110G81.2Confident70.2Confident2 Ų280 Ų802%0.02143%0.434CS..THydrogen-bonded Turntrans80.621.2-178.600000114.9S106 T130 Y131S106-G110 PolarHBondContact O-N 3.37Å; G110-T130 PolarHBondContact O-N 3.38Å; G110-Y131 CarbonylContact C-O 3.56Å; G110-Y131 WeakPolarHBondContact CA-O 3.43Å; G110-Y131 PolarHBondContact O-N 2.66Å; G110-Y131 VanDerWaalsContact O-O 3.13Å
111D72.7Confident67.8Low36 Ų3683.5 Ų83.519%0.19346%0.461CS..  trans54.888.7-170.1-70.4-35.6000112.1S106 S113 T130 R138S106-D111 WeakPolarHBondContact CB-OD1 3.24Å; S106-D111 PolarHBondContact O-N 3.12Å; D111-S113 PolarHBondContact O-N 3.38Å; D111-T130 PolarHBondContact O-N 3.03Å; D111-T130 PolarHBondContact O-OG1 3.01Å; D111-R138 IonicContact OD2-CZ 3.35Å; D111-R138 IonicContact OD2-NE 2.63Å; D111-R138 IonicContact OD2-NH1 3.07Å; D111-R138 PolarHBondContact OD2-NH1 3.47Å; D111-R138 IonicContact OD2-NH2 3.95Å; D111-R138 PolarHBondContact OD2-NH2 2.62Å
112L60.2Low65.8Low91 Ų9187.5 Ų87.548%0.47648%0.479SS..BIsolated β-bridgetrans-70.6104.8168.6-72.6161.6000108.7V114 A127L112-V114 PolarHBondContact O-N 2.9Å; L112-A127 HydrophobicContact CD2-CB 3.73Å
113S55.3Low63.4Low58 Ų5891.1 Ų91.141%0.40650%0.5SS..  trans-70.699.3160.9590000107.5D111 N115 V128D111-S113 PolarHBondContact O-N 3.38Å; S113-N115 PolarHBondContact O-N 2.84Å; S113-V128 PolarHBondContact OG-O 3.5Å
114V46.8Very low61Low118 Ų11896.7 Ų96.772%0.71553%0.529SS*.  trans-69.394.9161.8-178.50000105.1L112 D116L112-V114 PolarHBondContact O-N 2.9Å; V114-D116 PolarHBondContact O-N 3.3Å
115N43.3Very low59.1Low135 Ų135101.7 Ų101.772%0.72256%0.557SS**  trans-54.4135.2167.2-83.1-13.7000107.7S113 S117S113-N115 PolarHBondContact O-N 2.84Å; N115-S117 PolarHBondContact O-N 3.48Å
116D41.4Very low57.1Low138 Ų138104.3 Ų104.374%0.73857%0.571SS**  trans-31.2126.5-175.4-162.1-0.6000113.2V114 N118V114-D116 PolarHBondContact O-N 3.3Å; D116-N118 PolarHBondContact O-N 3.47Å
117S44Very low55.5Low96 Ų96106 Ų10667%0.67159%0.586SS**THydrogen-bonded Turntrans-72.167.6-172.5-51.80000110.6N115N115-S117 PolarHBondContact O-N 3.48Å
118N42.9Very low54.1Low136 Ų136110.4 Ų110.473%0.72761%0.613SS**THydrogen-bonded Turntrans-140.85.4175-89.5-32000116.5D116D116-N118 PolarHBondContact O-N 3.47Å
119N43.1Very low52.8Low160 Ų160114.5 Ų114.586%0.85661%0.613SS**  trans-134.197.8165.8-87.5-31.1000111.8S121N119-S121 PolarHBondContact O-N 3.44Å
120K35.3Very low52.3Low221 Ų221116.3 Ų116.396%0.96162%0.624SS**  trans-66.4103167.2-74.4175.1173.4176.40109.3
121S43.3Very low52.4Low99 Ų99118.3 Ų118.369%0.69263%0.631SS**  trans-132.3108148.859.30000107.6N119 H123N119-S121 PolarHBondContact O-N 3.44Å; S121-H123 PolarHBondContact O-N 2.92Å
122E49.6Very low52.9Low195 Ų195121.1 Ų121.191%0.91165%0.651SS**THydrogen-bonded Turntrans-7614.4-162.6-139.5168.4-163.500114.6
123H41.6Very low54.1Low179 Ų179120.4 Ų120.483%0.82965%0.652SS**THydrogen-bonded Turntrans-129.79.2-167.6-135.3-72.1000117.5S121S121-H123 PolarHBondContact O-N 2.92Å
124D42.5Very low55.6Low131 Ų131119.6 Ų119.670%0.70165%0.653SS**  trans-131.272.4166.4-94.7-40.2000110.5N126D124-N126 PolarHBondContact O-N 3.4Å
125L50.3Low57.6Low161 Ų161115.1 Ų115.184%0.84363%0.628SS**  trans-7249.1166.2-96.5149.2000110.8A127L125-A127 PolarHBondContact O-N 3.41Å
126N48.4Very low59.9Low129 Ų129115 Ų11569%0.6962%0.618SS**  trans-75.969.7160.5-76-36.5000107.4D124 V128D124-N126 PolarHBondContact O-N 3.4Å; N126-V128 VanDerWaalsContact C-N 3.35Å; N126-V128 PolarHBondContact O-N 3.02Å
127A55.7Low62.4Low41 Ų41111.1 Ų111.134%0.33960%0.599SS.*  trans-56.6102171.600000107.8L112 L125 R129L112-A127 HydrophobicContact CD2-CB 3.73Å; L125-A127 PolarHBondContact O-N 3.41Å; A127-R129 PolarHBondContact O-N 3.41Å
128V61.5Low64.6Low101 Ų101108 Ų10861%0.61257%0.573SS**  trans-69.199.1178.2-179.20000106.5S113 N126S113-V128 PolarHBondContact OG-O 3.5Å; N126-V128 VanDerWaalsContact C-N 3.35Å; N126-V128 PolarHBondContact O-N 3.02Å
129R62.5Low66.8Low134 Ų134107 Ų10751%0.50656%0.564SS.*BIsolated β-bridgetrans-75.5130.7172.5-83.7-178.7-85.9-85.6-1.6108.8T109 A127 Y131T109-R129 WeakPolarHBondContact O-CD 3.35Å; A127-R129 PolarHBondContact O-N 3.41Å; R129-Y131 VanDerWaalsContact C-N 3.27Å
130T77.1Confident69Low81 Ų81101.9 Ų101.950%0.49754%0.536SS..SBendtrans-69.2-33.2175.1-46.60000110.6G110 D111G110-T130 PolarHBondContact O-N 3.38Å; D111-T130 PolarHBondContact O-N 3.03Å; D111-T130 PolarHBondContact O-OG1 3.01Å
131Y82.5Confident71.6Confident45 Ų4596.7 Ų96.718%0.17652%0.518CS..SBendtrans-138.5154179.2-55.6-71.4000111.6G110 R129 R138 Q139G110-Y131 CarbonylContact C-O 3.56Å; G110-Y131 WeakPolarHBondContact CA-O 3.43Å; G110-Y131 PolarHBondContact O-N 2.66Å; G110-Y131 VanDerWaalsContact O-O 3.13Å; R129-Y131 VanDerWaalsContact C-N 3.27Å; Y131-R138 HydrophobicContact CD1-CB 4.37Å; Y131-R138 HydrophobicContact CD1-CG 4.2Å; Y131-R138 HydrophobicContact CD2-CG 3.98Å; Y131-R138 HydrophobicContact CE1-CB 3.76Å; Y131-R138 HydrophobicContact CE1-CG 3.98Å; Y131-R138 HydrophobicContact CE2-CB 4.12Å; Y131-R138 HydrophobicContact CE2-CG 3.72Å; Y131-R138 HydrophobicContact CG-CG 4.21Å; Y131-Q139 PolarHBondContact OH-O 2.73Å
132P84.3Confident73.7Confident94 Ų9493.7 Ų93.761%0.6149%0.494SS*.  trans-59.5142.1171.2-22.933.4000111.7G134 A135P132-G134 PolarHBondContact O-N 2.8Å; P132-A135 WeakPolarHBondContact O-CB 3.49Å; P132-A135 PolarHBondContact O-N 3.27Å
133P84.3Confident75.2Confident76 Ų7687.2 Ų87.249%0.49448%0.479SS..THydrogen-bonded Turntrans-52.7132.5170.2-27.638000111.3G108G108-P133 WeakPolarHBondContact O-CB 3.21Å
134G86.9Confident77.2Confident41 Ų4185.4 Ų85.442%0.42348%0.476SS..THydrogen-bonded Turntrans83.9-1.1-176.400000115.4I107 P132 R136I107-G134 PolarHBondContact O-N 3.3Å; P132-G134 PolarHBondContact O-N 2.8Å; G134-R136 PolarHBondContact O-N 2.94Å
135A88.6Confident79.2Confident24 Ų2480 Ų8020%0.19845%0.446CS..  trans-64.9117.7-179.800000112.1P132 T137P132-A135 WeakPolarHBondContact O-CB 3.49Å; P132-A135 PolarHBondContact O-N 3.27Å; A135-T137 VanDerWaalsContact C-N 3.34Å
136R92.3Very high81.1Confident133 Ų13377.4 Ų77.450%0.50243%0.432SS..  trans-93.26.7176.6-65.5-167.9173.194.62.1114G134 Y151G134-R136 PolarHBondContact O-N 2.94Å; R136-Y151 WeakPolarHBondContact O-CB 3.26Å; R136-Y151 PolarHBondContact O-N 2.95Å
137T92.9Very high83Confident57 Ų5772 Ų7235%0.3540%0.404SS..EExtended strand (participates in β ladder)trans-133.8136.5176.162.60000108.8A135 K148 I149A135-T137 VanDerWaalsContact C-N 3.34Å; T137-K148 VanDerWaalsContact CB-CE 3.44Å; T137-I149 CarbonylContact C-O 3.53Å; T137-I149 VanDerWaalsContact CA-O 3.24Å; T137-I149 WeakPolarHBondContact CA-O 3.27Å
138R90.7Very high84.7Confident29 Ų2976.6 Ų76.611%0.10942%0.416CS..EExtended strand (participates in β ladder)trans-118154.6176.9-64.1180-177.9-175.11109.1S106 D111 Y131 K148 I149 F158S106-R138 PolarHBondContact OG-NH2 2.85Å; D111-R138 IonicContact OD2-CZ 3.35Å; D111-R138 IonicContact OD2-NE 2.63Å; D111-R138 IonicContact OD2-NH1 3.07Å; D111-R138 PolarHBondContact OD2-NH1 3.47Å; D111-R138 IonicContact OD2-NH2 3.95Å; D111-R138 PolarHBondContact OD2-NH2 2.62Å; Y131-R138 HydrophobicContact CD1-CB 4.37Å; Y131-R138 HydrophobicContact CD1-CG 4.2Å; Y131-R138 HydrophobicContact CD2-CG 3.98Å; Y131-R138 HydrophobicContact CE1-CB 3.76Å; Y131-R138 HydrophobicContact CE1-CG 3.98Å; Y131-R138 HydrophobicContact CE2-CB 4.12Å; Y131-R138 HydrophobicContact CE2-CG 3.72Å; Y131-R138 HydrophobicContact CG-CG 4.21Å; R138-K148 CarbonylContact O-C 3.54Å; R138-K148 WeakPolarHBondContact O-CA 3.43Å; R138-I149 HydrophobicContact CB-CD1 4Å; R138-I149 HydrophobicContact CB-CG1 3.68Å; R138-I149 PolarHBondContact N-O 3.32Å; R138-I149 PolarHBondContact O-N 3Å; R138-F158 HydrophobicContact CG-CD1 4.26Å; R138-F158 HydrophobicContact CG-CE1 3.83Å; R138-F158 HydrophobicContact CG-CZ 4.22Å; R138-F158 VanDerWaalsContact CZ-CE2 3.42Å; R138-F158 VanDerWaalsContact NE-CZ 3.33Å; R138-F158 VanDerWaalsContact NH2-CE2 3.33Å
139Q89.4Confident86.2Confident117 Ų11772.9 Ų72.955%0.54739%0.393SS..EExtended strand (participates in β ladder)trans-108.3130.9169.7-63.6-175.511.200107.8Y131 V147Y131-Q139 PolarHBondContact OH-O 2.73Å; Q139-V147 WeakPolarHBondContact CA-O 3.37Å
140I89.3Confident87.8Confident52 Ų5268.5 Ų68.527%0.26738%0.383SS..EExtended strand (participates in β ladder)trans-124.4143.6173.165.4169.3000109I142 V147 I149 P161I140-I142 HydrophobicContact CD1-CD1 4.16Å; I140-I142 HydrophobicContact CD1-CG1 4.26Å; I140-I142 HydrophobicContact CG1-CD1 4.48Å; I140-I142 HydrophobicContact CG1-CG1 4.3Å; I140-V147 HydrophobicContact CG1-CB 4.31Å; I140-V147 PolarHBondContact N-O 2.95Å; I140-V147 PolarHBondContact O-N 2.81Å; I140-I149 HydrophobicContact CD1-CG2 4.03Å; I140-I149 HydrophobicContact CG1-CG2 4.16Å; I140-I149 HydrophobicContact CG2-CD1 3.94Å; I140-I149 HydrophobicContact CG2-CG1 4.48Å; I140-P161 HydrophobicContact CD1-CG 3.38Å
141L88.9Confident88.7Confident111 Ų11165.1 Ų65.158%0.58136%0.361SS*.EExtended strand (participates in β ladder)trans-89.8123.4178.2-175.864.6000109.4G143 L146L141-G143 WeakPolarHBondContact CD1-O 3.28Å; L141-G143 VanDerWaalsContact CG-O 3.23Å; L141-G143 WeakPolarHBondContact CG-O 3.46Å; L141-L146 HydrophobicContact CB-CD2 4.28Å; L141-L146 HydrophobicContact CD1-CD2 3.99Å; L141-L146 HydrophobicContact CD1-CG 4.36Å
142I87.5Confident89.4Confident37 Ų3763 Ų6319%0.1935%0.353CS..EExtended strand (participates in β ladder)trans-121.8107.2174.9-53.7-178.7000108.2I140 D144 H145 V147 P161 P287 Y288I140-I142 HydrophobicContact CD1-CD1 4.16Å; I140-I142 HydrophobicContact CD1-CG1 4.26Å; I140-I142 HydrophobicContact CG1-CD1 4.48Å; I140-I142 HydrophobicContact CG1-CG1 4.3Å; I142-D144 PolarHBondContact O-N 2.88Å; I142-H145 PolarHBondContact N-O 3.49Å; I142-H145 PolarHBondContact O-N 3.34Å; I142-H145 VanDerWaalsContact O-N 3.13Å; I142-V147 HydrophobicContact CB-CG2 4.41Å; I142-V147 HydrophobicContact CD1-CB 4.15Å; I142-V147 HydrophobicContact CD1-CG2 3.82Å; I142-V147 HydrophobicContact CG1-CG2 4.14Å; I142-P161 HydrophobicContact CD1-CB 3.6Å; I142-P161 HydrophobicContact CD1-CG 3.53Å; I142-P287 HydrophobicContact CG2-CB 4.23Å; I142-Y288 HydrophobicContact CD1-CE1 4.06Å; I142-Y288 HydrophobicContact CG2-CE1 4.24Å
143G82.7Confident89.9Confident58 Ų5863.9 Ų63.960%0.59835%0.349SS*.THydrogen-bonded Turntrans59.5-124.8-164.200000109L141L141-G143 WeakPolarHBondContact CD1-O 3.28Å; L141-G143 VanDerWaalsContact CG-O 3.23Å; L141-G143 WeakPolarHBondContact CG-O 3.46Å
144D83Confident90.5Very high141 Ų14162.6 Ų62.675%0.75434%0.341SS*.THydrogen-bonded Turntrans-96.78.6178.5-51-46.1000113.1I142 H284I142-D144 PolarHBondContact O-N 2.88Å; D144-H284 PolarHBondContact O-CE1 2.92Å; D144-H284 PolarHBondContact O-ND1 2.86Å
145H84.9Confident91Very high19 Ų1960.6 Ų60.69%0.08832%0.321CS..EExtended strand (participates in β ladder)trans-112124.4-172.1-175-73.9000112.8I142 V147 F275 H284 P287I142-H145 PolarHBondContact N-O 3.49Å; I142-H145 PolarHBondContact O-N 3.34Å; I142-H145 VanDerWaalsContact O-N 3.13Å; H145-V147 VanDerWaalsContact ND1-CG2 3.34Å; H145-V147 WeakPolarHBondContact ND1-CG2 3.11Å; H145-V147 PolarHBondContact O-N 2.98Å; H145-F275 AromaticContact CE1-CE2 3.73Å; H145-F275 AromaticContact NE2-CE2 3.97Å; H145-H284 AromaticContact CD2-ND1 3.76Å; H145-P287 HydrophobicContact CB-CG 4.37Å
146L88.6Confident91.4Very high105 Ų10562.5 Ų62.555%0.5532%0.323SS..EExtended strand (participates in β ladder)trans-75.4112.1172.1-68.2172.8000110.9L141L141-L146 HydrophobicContact CB-CD2 4.28Å; L141-L146 HydrophobicContact CD1-CD2 3.99Å; L141-L146 HydrophobicContact CD1-CG 4.36Å
147V89.2Confident91.5Very high15 Ų1557.1 Ų57.19%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-102.8123.7177.9179.50000109.8Q139 I140 I142 H145 I149Q139-V147 WeakPolarHBondContact CA-O 3.37Å; I140-V147 HydrophobicContact CG1-CB 4.31Å; I140-V147 PolarHBondContact N-O 2.95Å; I140-V147 PolarHBondContact O-N 2.81Å; I142-V147 HydrophobicContact CB-CG2 4.41Å; I142-V147 HydrophobicContact CD1-CB 4.15Å; I142-V147 HydrophobicContact CD1-CG2 3.82Å; I142-V147 HydrophobicContact CG1-CG2 4.14Å; H145-V147 VanDerWaalsContact ND1-CG2 3.34Å; H145-V147 WeakPolarHBondContact ND1-CG2 3.11Å; H145-V147 PolarHBondContact O-N 2.98Å; V147-I149 PolarHBondContact O-N 3.34Å
148K91.5Very high91.7Very high139 Ų13955.8 Ų55.860%0.60429%0.293SS*.EExtended strand (participates in β ladder)trans-78.2118.5171.7-176.6177.9-179.5174.80109.9T137 R138T137-K148 VanDerWaalsContact CB-CE 3.44Å; R138-K148 CarbonylContact O-C 3.54Å; R138-K148 WeakPolarHBondContact O-CA 3.43Å
149I93.5Very high92Very high23 Ų2357.5 Ų57.512%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-102.7143.1169.463174.4000109.7T137 R138 I140 V147 F158 R159 P161T137-I149 CarbonylContact C-O 3.53Å; T137-I149 VanDerWaalsContact CA-O 3.24Å; T137-I149 WeakPolarHBondContact CA-O 3.27Å; R138-I149 HydrophobicContact CB-CD1 4Å; R138-I149 HydrophobicContact CB-CG1 3.68Å; R138-I149 PolarHBondContact N-O 3.32Å; R138-I149 PolarHBondContact O-N 3Å; I140-I149 HydrophobicContact CD1-CG2 4.03Å; I140-I149 HydrophobicContact CG1-CG2 4.16Å; I140-I149 HydrophobicContact CG2-CD1 3.94Å; I140-I149 HydrophobicContact CG2-CG1 4.48Å; V147-I149 PolarHBondContact O-N 3.34Å; I149-F158 HydrophobicContact CD1-CB 4.34Å; I149-R159 WeakPolarHBondContact CB-O 3.3Å; I149-P161 HydrophobicContact CG2-CG 4.45Å
150S94.6Very high92.3Very high42 Ų4254.5 Ų54.529%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-119144.3-176.9-59.70000110.8R159S150-R159 WeakPolarHBondContact O-CG 3.37Å; S150-R159 PolarHBondContact O-N 2.82Å
151Y96.6Very high92.6Very high10 Ų1054.2 Ų54.24%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-67.6138.7171.3-174.3-113.1000111.3T103 E104 I107 R136 H153 R156 F158T103-Y151 HydrophobicContact CG2-CD2 4.16Å; T103-Y151 HydrophobicContact CG2-CE2 3.63Å; E104-Y151 PolarHBondContact OE1-OH 3.34Å; I107-Y151 HydrophobicContact CD1-CD2 4.17Å; I107-Y151 HydrophobicContact CD1-CE2 4.25Å; I107-Y151 HydrophobicContact CD1-CG 4.32Å; R136-Y151 WeakPolarHBondContact O-CB 3.26Å; R136-Y151 PolarHBondContact O-N 2.95Å; Y151-H153 AromaticContact CD1-CE1 3.98Å; Y151-H153 AromaticContact CD1-ND1 3.98Å; Y151-H153 AromaticContact CE1-ND1 3.94Å; Y151-R156 PolarHBondContact OH-NE 2.74Å; Y151-R156 PolarHBondContact OH-NH1 3.3Å; Y151-F158 HydrophobicContact CD2-CD2 4.13Å; Y151-F158 HydrophobicContact CD2-CE2 4.13Å; Y151-F158 HydrophobicContact CD2-CG 4.34Å; Y151-F158 HydrophobicContact CD2-CZ 4.35Å
152C97.6Very high92.9Very high1 Ų151 Ų511%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-104114.6174.9-170.40000110.3S154 C155 R156 I157 R159 H165C152-S154 PolarHBondContact O-N 3.35Å; C152-C155 HydrophobicContact CB-CB 4.29Å; C152-R156 VanDerWaalsContact O-CA 3.26Å; C152-R156 WeakPolarHBondContact O-CA 3.25Å; C152-R156 PolarHBondContact O-N 3.38Å; C152-I157 HydrophobicContact CB-CG1 4.48Å; C152-I157 WeakPolarHBondContact CB-O 3.31Å; C152-I157 PolarHBondContact N-O 3.35Å; C152-R159 HydrophobicContact CB-CG 3.97Å; C152-R159 PolarHBondContact SG-NH2 2.81Å; C152-H165 PolarHBondContact SG-ND1 3.23Å
153H95.5Very high93.4Very high112 Ų11249.6 Ų49.652%0.51927%0.266SS..THydrogen-bonded Turntrans-64.6-39-179.2-65.4-80.1000113.8Y151 R156Y151-H153 AromaticContact CD1-CE1 3.98Å; Y151-H153 AromaticContact CD1-ND1 3.98Å; Y151-H153 AromaticContact CE1-ND1 3.94Å; H153-R156 WeakPolarHBondContact O-CD 3.39Å
154S96.1Very high94.1Very high48 Ų4847.7 Ų47.734%0.33624%0.244SC..THydrogen-bonded Turntrans-70.4-41.9-179.8-41.70000113.3R94 C152R94-S154 WeakPolarHBondContact CD-O 3.25Å; R94-S154 PolarHBondContact NH1-O 3.47Å; R94-S154 VanDerWaalsContact NH1-O 3.13Å; C152-S154 PolarHBondContact O-N 3.35Å
155C97.1Very high94.9Very high0 Ų042.9 Ų42.90%022%0.216CC..THydrogen-bonded Turntrans-91.6-10.8-177.3-59.10000113.5R94 A95 C152 I157 C172R94-C155 WeakPolarHBondContact CA-O 3.24Å; R94-C155 HydrophobicContact CG-CB 4.16Å; A95-C155 PolarHBondContact N-O 3.49Å; C152-C155 HydrophobicContact CB-CB 4.29Å; C155-I157 VanDerWaalsContact C-N 3.27Å; C155-I157 HydrophobicContact CB-CD1 4.17Å; C155-I157 HydrophobicContact CB-CG1 3.83Å; C155-I157 PolarHBondContact O-N 2.95Å; C155-C172 PolarHBondContact SG-N 3.28Å; C155-C172 VanDerWaalsContact SG-N 3.44Å; C155-C172 VanDerWaalsContact SG-SG 3.65Å
156R96.5Very high95.5Very high64 Ų6442.2 Ų42.224%0.24221%0.214CC..THydrogen-bonded Turntrans5538.4-179.5-51.7-70-74.8165.72.9113.9A95 I100 E104 Y151 C152 H153 V323A95-R156 HydrophobicContact CB-CB 4.04Å; A95-R156 WeakPolarHBondContact CB-O 3.43Å; I100-R156 HydrophobicContact CD1-CB 3.89Å; I100-R156 HydrophobicContact CD1-CG 3.97Å; I100-R156 HydrophobicContact CG1-CB 3.76Å; I100-R156 HydrophobicContact CG1-CG 4.34Å; E104-R156 VanDerWaalsContact CD-NH2 3.29Å; E104-R156 IonicContact OE1-CZ 3.54Å; E104-R156 IonicContact OE1-NH1 3.16Å; E104-R156 PolarHBondContact OE1-NH1 2.9Å; E104-R156 VanDerWaalsContact OE1-NH1 3.16Å; E104-R156 IonicContact OE1-NH2 2.7Å; E104-R156 PolarHBondContact OE1-NH2 2.86Å; Y151-R156 PolarHBondContact OH-NE 2.74Å; Y151-R156 PolarHBondContact OH-NH1 3.3Å; C152-R156 VanDerWaalsContact O-CA 3.26Å; C152-R156 WeakPolarHBondContact O-CA 3.25Å; C152-R156 PolarHBondContact O-N 3.38Å; H153-R156 WeakPolarHBondContact O-CD 3.39Å; R156-V323 HydrophobicContact CB-CG1 4.24Å; R156-V323 HydrophobicContact CG-CG1 3.77Å; R156-V323 HydrophobicContact CG-CG2 4.4Å
157I95.9Very high95.9Very high19 Ų1941.3 Ų41.310%0.09722%0.217CC..EExtended strand (participates in β ladder)trans-131.4149.817958.2174000110.5I92 A95 C152 C155 R159 C172I92-I157 HydrophobicContact CB-CD1 4.17Å; I92-I157 HydrophobicContact CG2-CD1 3.54Å; A95-I157 HydrophobicContact CB-CG2 3.82Å; C152-I157 HydrophobicContact CB-CG1 4.48Å; C152-I157 WeakPolarHBondContact CB-O 3.31Å; C152-I157 PolarHBondContact N-O 3.35Å; C155-I157 VanDerWaalsContact C-N 3.27Å; C155-I157 HydrophobicContact CB-CD1 4.17Å; C155-I157 HydrophobicContact CB-CG1 3.83Å; C155-I157 PolarHBondContact O-N 2.95Å; I157-R159 PolarHBondContact O-N 3.25Å; I157-C172 HydrophobicContact CD1-CB 4.25Å
158F96.3Very high96.2Very high29 Ų2943.6 Ų43.613%0.12723%0.233CC..EExtended strand (participates in β ladder)trans-69122.7157-77.3-81.9000108.7T103 I107 R138 I149 Y151 P160T103-F158 HydrophobicContact CG2-CD2 3.83Å; T103-F158 HydrophobicContact CG2-CE2 3.68Å; I107-F158 HydrophobicContact CD1-CE2 3.94Å; I107-F158 HydrophobicContact CD1-CZ 3.9Å; I107-F158 HydrophobicContact CG1-CE2 3.85Å; I107-F158 HydrophobicContact CG1-CZ 3.7Å; R138-F158 HydrophobicContact CG-CD1 4.26Å; R138-F158 HydrophobicContact CG-CE1 3.83Å; R138-F158 HydrophobicContact CG-CZ 4.22Å; R138-F158 VanDerWaalsContact CZ-CE2 3.42Å; R138-F158 VanDerWaalsContact NE-CZ 3.33Å; R138-F158 VanDerWaalsContact NH2-CE2 3.33Å; I149-F158 HydrophobicContact CD1-CB 4.34Å; Y151-F158 HydrophobicContact CD2-CD2 4.13Å; Y151-F158 HydrophobicContact CD2-CE2 4.13Å; Y151-F158 HydrophobicContact CD2-CG 4.34Å; Y151-F158 HydrophobicContact CD2-CZ 4.35Å; F158-P160 WeakPolarHBondContact O-CD 3.37Å
159R97Very high96.5Very high66 Ų6637 Ų3725%0.24921%0.205CC..PPolyproline II helixtrans-65.5125.1-177.6-64.6174-176.4151.47.5108.9I149 S150 C152 I157 A163 H165I149-R159 WeakPolarHBondContact CB-O 3.3Å; S150-R159 WeakPolarHBondContact O-CG 3.37Å; S150-R159 PolarHBondContact O-N 2.82Å; C152-R159 HydrophobicContact CB-CG 3.97Å; C152-R159 PolarHBondContact SG-NH2 2.81Å; I157-R159 PolarHBondContact O-N 3.25Å; R159-A163 HydrophobicContact CB-CB 4.45Å; R159-H165 VanDerWaalsContact NH2-CB 3.34Å
160P96Very high96.7Very high53 Ų5337.4 Ų37.434%0.34421%0.207SC..PPolyproline II helixtrans-55.2159.1170.7-25.735.4000111.3I92 F158 R162 A163I92-P160 HydrophobicContact CD1-CG 3.93Å; F158-P160 WeakPolarHBondContact O-CD 3.37Å; P160-R162 PolarHBondContact O-N 3.03Å; P160-A163 HydrophobicContact CB-CB 4.38Å; P160-A163 VanDerWaalsContact O-CB 3.25Å; P160-A163 WeakPolarHBondContact O-CB 3.44Å; P160-A163 PolarHBondContact O-N 2.86Å
161P94.9Very high96.8Very high46 Ų4635.4 Ų35.430%0.29919%0.193SC..THydrogen-bonded Turntrans-49.4138.9174.4-29.337.8000112I140 I142 I149 A163I140-P161 HydrophobicContact CD1-CG 3.38Å; I142-P161 HydrophobicContact CD1-CB 3.6Å; I142-P161 HydrophobicContact CD1-CG 3.53Å; I149-P161 HydrophobicContact CG2-CG 4.45Å; P161-A163 PolarHBondContact O-N 2.79Å
162R96.4Very high96.9Very high43 Ų4335 Ų3516%0.16219%0.191CC..THydrogen-bonded Turntrans64.4-3.7-178.1-40.4-177.368.7172.37.4115.7P160 R175 F176 G265 E270 Y288P160-R162 PolarHBondContact O-N 3.03Å; R162-R175 WeakPolarHBondContact O-CA 3.45Å; R162-F176 PolarHBondContact O-N 3.13Å; R162-G265 PolarHBondContact NH2-O 2.79Å; R162-E270 WeakPolarHBondContact CB-OE1 3.46Å; R162-E270 WeakPolarHBondContact CD-OE1 3.14Å; R162-E270 WeakPolarHBondContact CG-OE1 3.25Å; R162-E270 IonicContact CZ-OE1 3.07Å; R162-E270 IonicContact CZ-OE2 3.43Å; R162-E270 IonicContact NE-OE1 3.82Å; R162-E270 PolarHBondContact NE-OE1 2.85Å; R162-E270 IonicContact NE-OE2 3.03Å; R162-E270 PolarHBondContact NE-OE2 3.4Å; R162-E270 IonicContact NH2-OE1 3.3Å; R162-E270 IonicContact NH2-OE2 2.9Å; R162-E270 PolarHBondContact NH2-OE2 2.91Å; R162-Y288 HydrophobicContact CG-CD1 4.36Å; R162-Y288 HydrophobicContact CG-CD2 4.29Å; R162-Y288 HydrophobicContact CG-CE1 3.87Å; R162-Y288 HydrophobicContact CG-CE2 3.8Å
163A97.9Very high97Very high9 Ų935 Ų357%0.07419%0.191CC..  trans-79147.2173.700000110.7I92 R159 P160 P161 V173I92-A163 HydrophobicContact CD1-CB 3.74Å; R159-A163 HydrophobicContact CB-CB 4.45Å; P160-A163 HydrophobicContact CB-CB 4.38Å; P160-A163 VanDerWaalsContact O-CB 3.25Å; P160-A163 WeakPolarHBondContact O-CB 3.44Å; P160-A163 PolarHBondContact O-N 2.86Å; P161-A163 PolarHBondContact O-N 2.79Å; A163-V173 WeakPolarHBondContact CA-O 3.14Å; A163-V173 WeakPolarHBondContact CB-O 3.17Å
164S97.8Very high97.1Very high18 Ų1831.9 Ų31.913%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-143.4151.9173.9-72.70000111.2C172 V173 H269S164-C172 WeakPolarHBondContact O-CA 3.26Å; S164-V173 PolarHBondContact N-O 3.34Å; S164-V173 PolarHBondContact O-N 3.38Å; S164-H269 PolarHBondContact OG-CE1 2.93Å
165H98.3Very high97.1Very high39 Ų3931.6 Ų31.618%0.18117%0.169CC..EExtended strand (participates in β ladder)trans-85.4123178.1-176.588.2000109.8C152 R159 D170 N171C152-H165 PolarHBondContact SG-ND1 3.23Å; R159-H165 VanDerWaalsContact NH2-CB 3.34Å; H165-D170 VanDerWaalsContact CE1-C 3.48Å; H165-D170 IonicContact CE1-OD1 3.48Å; H165-D170 PolarHBondContact CE1-OD1 3.14Å; H165-D170 VanDerWaalsContact CE1-OD1 3.3Å; H165-D170 IonicContact NE2-OD1 3.36Å; H165-D170 PolarHBondContact NE2-OD1 3.11Å; H165-N171 PolarHBondContact CE1-N 2.99Å
166C98Very high97.2Very high5 Ų532.5 Ų32.53%0.03417%0.173CC..EExtended strand (participates in β ladder)trans-89.8116.6172.1176.30000109.3S168 C169 D170 N171 F176 C186C166-S168 VanDerWaalsContact C-N 3.34Å; C166-S168 PolarHBondContact O-N 3.26Å; C166-C169 HydrophobicContact CB-CB 4.35Å; C166-C169 PolarHBondContact SG-N 3.41Å; C166-D170 VanDerWaalsContact O-CA 3.25Å; C166-D170 WeakPolarHBondContact O-CA 3.27Å; C166-D170 PolarHBondContact O-N 2.88Å; C166-N171 PolarHBondContact N-O 3.37Å; C166-N171 PolarHBondContact O-N 2.93Å; C166-F176 HydrophobicContact CB-CE2 3.93Å; C166-F176 HydrophobicContact CB-CZ 4.31Å; C166-C186 PolarHBondContact SG-SG 3Å
167S96.6Very high97.3Very high87 Ų8729.6 Ų29.661%0.60816%0.162SC*.THydrogen-bonded Turntrans-67.1-31.6177.352.20000113.3R18R18-S167 PolarHBondContact NH1-O 2.98Å
168S96.7Very high97.4Very high63 Ų6330.8 Ų30.844%0.44117%0.167SC..THydrogen-bonded Turntrans-64.9-44.3178.3-50.30000111.9R18 C166R18-S168 WeakPolarHBondContact CD-O 3.49Å; C166-S168 VanDerWaalsContact C-N 3.34Å; C166-S168 PolarHBondContact O-N 3.26Å
169C97.5Very high97.5Very high1 Ų131.6 Ų31.61%0.00717%0.171CC..THydrogen-bonded Turntrans-90.9-14.5178.2-70.50000113.7R18 C166 N171 H179R18-C169 PolarHBondContact N-O 2.97Å; C166-C169 HydrophobicContact CB-CB 4.35Å; C166-C169 PolarHBondContact SG-N 3.41Å; C169-N171 PolarHBondContact O-ND2 3.32Å; C169-N171 VanDerWaalsContact O-ND2 3.11Å; C169-H179 VanDerWaalsContact SG-CE1 3.51Å; C169-H179 PolarHBondContact SG-ND1 3.33Å
170D97.6Very high97.5Very high30 Ų3029 Ų2916%0.1616%0.163CC..THydrogen-bonded Turntrans54.647.3-175.2-170.428.9000113.6R18 R94 H165 C166R18-D170 HydrophobicContact CB-CB 4.45Å; R18-D170 HydrophobicContact CG-CB 3.85Å; R94-D170 IonicContact CZ-OD2 3.4Å; R94-D170 PolarHBondContact NH2-O 3.29Å; R94-D170 IonicContact NH2-OD1 3.48Å; R94-D170 PolarHBondContact NH2-OD1 3.27Å; R94-D170 IonicContact NH2-OD2 3.3Å; R94-D170 PolarHBondContact NH2-OD2 3.27Å; H165-D170 VanDerWaalsContact CE1-C 3.48Å; H165-D170 IonicContact CE1-OD1 3.48Å; H165-D170 PolarHBondContact CE1-OD1 3.14Å; H165-D170 VanDerWaalsContact CE1-OD1 3.3Å; H165-D170 IonicContact NE2-OD1 3.36Å; H165-D170 PolarHBondContact NE2-OD1 3.11Å; C166-D170 VanDerWaalsContact O-CA 3.25Å; C166-D170 WeakPolarHBondContact O-CA 3.27Å; C166-D170 PolarHBondContact O-N 2.88Å
171N97.3Very high97.6Very high1 Ų129.1 Ų29.11%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-149.3152.5176.2-68.1-64.9000111.7H15 N19 I91 H165 C166 C169H15-N171 PolarHBondContact CE1-ND2 3.35Å; H15-N171 PolarHBondContact CE1-OD1 2.85Å; H15-N171 VanDerWaalsContact CE1-OD1 3.23Å; H15-N171 PolarHBondContact NE2-ND2 2.87Å; N19-N171 PolarHBondContact OD1-ND2 3.47Å; I91-N171 HydrophobicContact CG2-CB 3.99Å; H165-N171 PolarHBondContact CE1-N 2.99Å; C166-N171 PolarHBondContact N-O 3.37Å; C166-N171 PolarHBondContact O-N 2.93Å; C169-N171 PolarHBondContact O-ND2 3.32Å; C169-N171 VanDerWaalsContact O-ND2 3.11Å
172C98.5Very high97.7Very high0 Ų034.4 Ų34.40%018%0.178CC..EExtended strand (participates in β ladder)trans-77.5138.8166-71.50000110.6I92 C155 I157 S164I92-C172 HydrophobicContact CB-CB 4.21Å; I92-C172 HydrophobicContact CD1-CB 4.12Å; I92-C172 HydrophobicContact CG1-CB 4.44Å; I92-C172 PolarHBondContact N-O 3.48Å; C155-C172 PolarHBondContact SG-N 3.28Å; C155-C172 VanDerWaalsContact SG-N 3.44Å; C155-C172 VanDerWaalsContact SG-SG 3.65Å; I157-C172 HydrophobicContact CD1-CB 4.25Å; S164-C172 WeakPolarHBondContact O-CA 3.26Å
173V98.5Very high97.8Very high1 Ų132.4 Ų32.41%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-124.6133.9179.2-178.50000109.6P89 G90 A163 S164 F176 C186P89-V173 HydrophobicContact CB-CG1 3.97Å; P89-V173 HydrophobicContact CG-CG1 4.16Å; P89-V173 HydrophobicContact CG-CG2 4.41Å; G90-V173 CarbonylContact O-C 3.11Å; G90-V173 WeakPolarHBondContact O-CA 3.31Å; A163-V173 WeakPolarHBondContact CA-O 3.14Å; A163-V173 WeakPolarHBondContact CB-O 3.17Å; S164-V173 PolarHBondContact N-O 3.34Å; S164-V173 PolarHBondContact O-N 3.38Å; V173-F176 HydrophobicContact CB-CB 4.34Å; V173-F176 HydrophobicContact CB-CD2 3.98Å; V173-F176 HydrophobicContact CG1-CD2 4.42Å; V173-F176 HydrophobicContact CG2-CD2 4.39Å; V173-C186 HydrophobicContact CG2-CB 4.29Å
174E98.1Very high97.8Very high48 Ų4832 Ų3222%0.22417%0.167CC..THydrogen-bonded Turntrans-65.3137.4174-65.8-176.6101.900111.5G90 I92 F176 Q189 L309G90-E174 PolarHBondContact O-N 2.93Å; I92-E174 HydrophobicContact CD1-CG 3.89Å; I92-E174 HydrophobicContact CG1-CG 3.65Å; E174-F176 PolarHBondContact O-N 2.99Å; E174-Q189 HydrophobicContact CB-CB 3.94Å; E174-Q189 WeakPolarHBondContact O-CB 3.36Å; E174-Q189 PolarHBondContact O-N 2.92Å; E174-L309 HydrophobicContact CG-CD1 4.2Å; E174-L309 WeakPolarHBondContact OE1-CD1 3.24Å; E174-L309 WeakPolarHBondContact OE2-CD1 3.19Å
175R97.2Very high97.8Very high42 Ų4231.1 Ų31.116%0.15816%0.161CC..THydrogen-bonded Turntrans39.556.2-175.3-165.5-171.7176.4-175.4-3.6111R162 D177 G188 Q189R162-R175 WeakPolarHBondContact O-CA 3.45Å; R175-D177 PolarHBondContact O-N 2.91Å; R175-G188 WeakPolarHBondContact O-CA 3.09Å; R175-Q189 HydrophobicContact CB-CB 3.92Å
176F98.3Very high97.8Very high18 Ų1829.3 Ų29.38%0.07915%0.152CC..  trans-61.8127.5-174.7175.1-104.6000110.3R162 C166 V173 E174 C186 H269R162-F176 PolarHBondContact O-N 3.13Å; C166-F176 HydrophobicContact CB-CE2 3.93Å; C166-F176 HydrophobicContact CB-CZ 4.31Å; V173-F176 HydrophobicContact CB-CB 4.34Å; V173-F176 HydrophobicContact CB-CD2 3.98Å; V173-F176 HydrophobicContact CG1-CD2 4.42Å; V173-F176 HydrophobicContact CG2-CD2 4.39Å; E174-F176 PolarHBondContact O-N 2.99Å; F176-C186 HydrophobicContact CE2-CB 4.37Å; F176-H269 HydrophobicContact CD1-CB 4.1Å; F176-H269 AromaticContact CD1-CD2 3.87Å; F176-H269 AromaticContact CD1-CG 3.93Å; F176-H269 AromaticContact CE1-CD2 3.93Å; F176-H269 WeakPolarHBondContact O-CB 3.36Å
177D98.5Very high97.8Very high3 Ų329 Ų292%0.01615%0.151CC..  trans-98.9-60.8177.2-16478.8000111.1R175 V187 Y192 H258 S267 T268 H269R175-D177 PolarHBondContact O-N 2.91Å; D177-V187 HydrophobicContact CB-CB 4.32Å; D177-V187 HydrophobicContact CB-CG1 4.34Å; D177-V187 WeakPolarHBondContact CB-O 3.24Å; D177-V187 PolarHBondContact N-O 2.98Å; D177-Y192 HydrophobicContact CB-CD2 4.13Å; D177-Y192 HydrophobicContact CB-CE2 4.2Å; D177-H258 IonicContact OD2-CE1 3.43Å; D177-H258 PolarHBondContact OD2-CE1 3.17Å; D177-S267 VanDerWaalsContact OD1-CA 3.31Å; D177-S267 WeakPolarHBondContact OD1-CA 3.48Å; D177-S267 WeakPolarHBondContact OD1-CB 3.38Å; D177-T268 VanDerWaalsContact CG-OG1 3.32Å; D177-T268 PolarHBondContact OD1-N 3.09Å; D177-T268 PolarHBondContact OD1-OG1 3.32Å; D177-T268 WeakPolarHBondContact OD2-CB 3.3Å; D177-T268 PolarHBondContact OD2-OG1 2.93Å; D177-H269 WeakPolarHBondContact O-CB 3.46Å; D177-H269 PolarHBondContact O-N 3.05Å
178H97.9Very high97.9Very high45 Ų4524.9 Ų24.921%0.20812%0.122CC..EExtended strand (participates in β ladder)trans-167.4172.7173.762.3-78.8000111C180 C186 V187 F195H178-C180 WeakPolarHBondContact NE2-CB 3.43Å; H178-C186 WeakPolarHBondContact O-CA 3.45Å; H178-V187 PolarHBondContact N-O 3.32Å; H178-V187 PolarHBondContact O-N 3.45Å; H178-F195 AromaticContact CE1-CZ 3.88Å
179H98.3Very high98Very high46 Ų4624.1 Ų24.121%0.21311%0.111CC..EExtended strand (participates in β ladder)trans-95.5124.1164.3-17884.4000109C169 P181 C186C169-H179 VanDerWaalsContact SG-CE1 3.51Å; C169-H179 PolarHBondContact SG-ND1 3.33Å; H179-P181 WeakPolarHBondContact O-CD 3.48Å; H179-C186 PolarHBondContact ND1-SG 2.58Å
180C97.8Very high98Very high11 Ų1125.9 Ų25.97%0.07412%0.118CC..EExtended strand (participates in β ladder)trans-110.2107.7-175.5-170.70000111H178 W182 I183 G184 N185 V187H178-C180 WeakPolarHBondContact NE2-CB 3.43Å; C180-W182 VanDerWaalsContact C-N 3.3Å; C180-W182 PolarHBondContact O-N 3.35Å; C180-I183 HydrophobicContact CB-CB 4.01Å; C180-I183 HydrophobicContact CB-CG1 4.12Å; C180-I183 PolarHBondContact O-N 2.84Å; C180-G184 PolarHBondContact O-N 3.24Å; C180-N185 PolarHBondContact N-O 2.87Å; C180-N185 PolarHBondContact O-N 2.99Å; C180-V187 HydrophobicContact CB-CG2 4.05Å
181P97.5Very high98Very high56 Ų5624.4 Ų24.436%0.36411%0.11SC..THydrogen-bonded Turntrans-65.1-31.8178.6-21.833.5000113.6I35 F36 H179 I183 G184I35-P181 HydrophobicContact CB-CB 4.25Å; I35-P181 HydrophobicContact CD1-CB 3.71Å; I35-P181 HydrophobicContact CG2-CB 4.3Å; F36-P181 PolarHBondContact N-O 3.48Å; H179-P181 WeakPolarHBondContact O-CD 3.48Å; P181-I183 VanDerWaalsContact C-N 3.32Å; P181-I183 PolarHBondContact O-N 3.45Å; P181-G184 PolarHBondContact O-N 2.83Å
182W97.6Very high98.1Very high156 Ų15624.9 Ų24.959%0.59111%0.112SC*.THydrogen-bonded Turntrans-66.4-32.7178-50.898.4000113I35 F36 T39 F81 C180I35-W182 HydrophobicContact CG2-CD2 3.67Å; I35-W182 HydrophobicContact CG2-CE3 3.42Å; I35-W182 VanDerWaalsContact CG2-CE3 3.42Å; I35-W182 HydrophobicContact CG2-CG 4.19Å; I35-W182 HydrophobicContact CG2-CH2 4.41Å; I35-W182 HydrophobicContact CG2-CZ3 3.82Å; F36-W182 WeakPolarHBondContact CA-O 3.27Å; T39-W182 PolarHBondContact OG1-O 2.85Å; F81-W182 WeakPolarHBondContact CE2-O 3.24Å; F81-W182 WeakPolarHBondContact CZ-O 3.28Å; C180-W182 VanDerWaalsContact C-N 3.3Å; C180-W182 PolarHBondContact O-N 3.35Å
183I97.8Very high98Very high1 Ų127 Ų271%0.00512%0.12CC..THydrogen-bonded Turntrans-86.8-23.1173.9-64.8-61.3000111.5F36 F81 T84 A85 C180 P181 N185 F195 F198F36-I183 WeakPolarHBondContact CD2-O 3.29Å; F81-I183 HydrophobicContact CD2-CD1 3.6Å; F81-I183 HydrophobicContact CE2-CD1 3.72Å; T84-I183 HydrophobicContact CG2-CD1 4.37Å; T84-I183 HydrophobicContact CG2-CG1 4.43Å; T84-I183 HydrophobicContact CG2-CG2 3.82Å; A85-I183 HydrophobicContact CB-CG2 4.02Å; A85-I183 WeakPolarHBondContact CB-O 3.33Å; C180-I183 HydrophobicContact CB-CB 4.01Å; C180-I183 HydrophobicContact CB-CG1 4.12Å; C180-I183 PolarHBondContact O-N 2.84Å; P181-I183 VanDerWaalsContact C-N 3.32Å; P181-I183 PolarHBondContact O-N 3.45Å; I183-N185 HydrophobicContact CG2-CB 4.24Å; I183-F195 HydrophobicContact CG1-CD2 4.33Å; I183-F198 HydrophobicContact CD1-CD1 3.74Å; I183-F198 HydrophobicContact CD1-CE1 3.59Å; I183-F198 HydrophobicContact CD1-CZ 4.37Å
184G97.8Very high98Very high0 Ų029 Ų290%013%0.127CC..THydrogen-bonded Turntrans69.334.2-173.600000112.6S30 C180 P181S30-G184 PolarHBondContact N-O 2.8Å; S30-G184 WeakPolarHBondContact OG-CA 3.31Å; S30-G184 PolarHBondContact OG-O 3.27Å; C180-G184 PolarHBondContact O-N 3.24Å; P181-G184 PolarHBondContact O-N 2.83Å
185N98.1Very high98.1Very high0 Ų026.9 Ų26.90%012%0.118CC..EExtended strand (participates in β ladder)trans-163167.5174.9-154.9-4000111.9V28 A85 T87 C180 I183V28-N185 PolarHBondContact O-ND2 3.47Å; A85-N185 WeakPolarHBondContact O-CB 3.49Å; A85-N185 PolarHBondContact O-ND2 3.02Å; T87-N185 PolarHBondContact O-ND2 2.92Å; T87-N185 VanDerWaalsContact O-ND2 3.15Å; C180-N185 PolarHBondContact N-O 2.87Å; C180-N185 PolarHBondContact O-N 2.99Å; I183-N185 HydrophobicContact CG2-CB 4.24Å
186C98.6Very high98.1Very high1 Ų124.9 Ų24.91%0.00711%0.11CC..EExtended strand (participates in β ladder)trans-68.4150.4163-65.70000110.8P89 C166 V173 F176 H178 H179 N191P89-C186 HydrophobicContact CB-CB 4.17Å; P89-C186 WeakPolarHBondContact CB-O 3.35Å; P89-C186 HydrophobicContact CG-CB 3.97Å; C166-C186 PolarHBondContact SG-SG 3Å; V173-C186 HydrophobicContact CG2-CB 4.29Å; F176-C186 HydrophobicContact CE2-CB 4.37Å; H178-C186 WeakPolarHBondContact O-CA 3.45Å; H179-C186 PolarHBondContact ND1-SG 2.58Å; C186-N191 PolarHBondContact O-ND2 3.31Å
187V98.7Very high98.1Very high0 Ų026.5 Ų26.50%012%0.119CC..EExtended strand (participates in β ladder)trans-105.5126.5165.9-170.90000107.7D177 H178 C180 N191 Y192 F195D177-V187 HydrophobicContact CB-CB 4.32Å; D177-V187 HydrophobicContact CB-CG1 4.34Å; D177-V187 WeakPolarHBondContact CB-O 3.24Å; D177-V187 PolarHBondContact N-O 2.98Å; H178-V187 PolarHBondContact N-O 3.32Å; H178-V187 PolarHBondContact O-N 3.45Å; C180-V187 HydrophobicContact CB-CG2 4.05Å; V187-N191 WeakPolarHBondContact CA-OD1 3.37Å; V187-Y192 HydrophobicContact CG1-CD2 3.69Å; V187-Y192 HydrophobicContact CG1-CG 4.43Å; V187-F195 HydrophobicContact CG1-CB 3.87Å; V187-F195 HydrophobicContact CG1-CD1 4.05Å; V187-F195 HydrophobicContact CG1-CG 3.9Å; V187-F195 HydrophobicContact CG2-CD2 4.03Å; V187-F195 HydrophobicContact CG2-CE2 4.43Å; V187-F195 HydrophobicContact CG2-CG 4.19Å
188G98.3Very high98.1Very high0 Ų027 Ų270%012%0.121CC..  trans-157.2-167.2-177.200000112.4P89 R175 R190 N191 Y192P89-G188 CarbonylContact O-C 3.47Å; P89-G188 WeakPolarHBondContact O-CA 3.46Å; R175-G188 WeakPolarHBondContact O-CA 3.09Å; G188-R190 PolarHBondContact O-N 3.48Å; G188-N191 PolarHBondContact N-OD1 2.92Å; G188-N191 PolarHBondContact O-N 2.94Å; G188-N191 PolarHBondContact O-OD1 2.95Å; G188-Y192 WeakPolarHBondContact O-CB 3.49Å; G188-Y192 PolarHBondContact O-N 3.19Å
189Q97.8Very high98.1Very high47 Ų4725 Ų2522%0.2211%0.112CC..THydrogen-bonded Turntrans-44.3-42.6-170.8-177.465.4-12.700115P89 E174 R175 M306P89-Q189 PolarHBondContact O-N 3.44Å; E174-Q189 HydrophobicContact CB-CB 3.94Å; E174-Q189 WeakPolarHBondContact O-CB 3.36Å; E174-Q189 PolarHBondContact O-N 2.92Å; R175-Q189 HydrophobicContact CB-CB 3.92Å; Q189-M306 HydrophobicContact CG-CB 4.24Å; Q189-M306 HydrophobicContact CG-CG 3.86Å
190R97.9Very high98.1Very high37 Ų3724.9 Ų24.914%0.1411%0.11CC..THydrogen-bonded Turntrans-89.1-29.3-170.6-78.5-179.254.586.84.3114.6D88 P89 G188 Q305 M306 P307D88-R190 WeakPolarHBondContact O-CB 3.47Å; D88-R190 WeakPolarHBondContact O-CD 3.37Å; D88-R190 PolarHBondContact O-NE 3.32Å; D88-R190 VanDerWaalsContact O-NE 3.16Å; D88-R190 IonicContact OD2-NE 3.52Å; P89-R190 PolarHBondContact O-N 3.38Å; G188-R190 PolarHBondContact O-N 3.48Å; R190-Q305 PolarHBondContact O-NE2 3.44Å; R190-M306 HydrophobicContact CG-CB 4.35Å; R190-M306 PolarHBondContact NH1-O 2.76Å; R190-P307 WeakPolarHBondContact CD-O 3.36Å; R190-P307 PolarHBondContact NH1-O 3.19Å
191N98Very high98.2Very high0 Ų024.5 Ų24.50%011%0.107CC..THydrogen-bonded Turntrans-108.7-7.6-177.972.2-18000114T84 T87 C186 V187 G188 R193 Y194 F195T84-N191 PolarHBondContact O-ND2 2.86Å; T84-N191 VanDerWaalsContact O-ND2 3.16Å; T87-N191 HydrophobicContact CG2-CB 3.97Å; C186-N191 PolarHBondContact O-ND2 3.31Å; V187-N191 WeakPolarHBondContact CA-OD1 3.37Å; G188-N191 PolarHBondContact N-OD1 2.92Å; G188-N191 PolarHBondContact O-N 2.94Å; G188-N191 PolarHBondContact O-OD1 2.95Å; N191-R193 VanDerWaalsContact C-N 3.25Å; N191-R193 PolarHBondContact O-N 3.2Å; N191-Y194 HydrophobicContact CB-CD2 4.32Å; N191-Y194 PolarHBondContact O-N 3.36Å; N191-F195 PolarHBondContact O-N 3.19Å
192Y98.4Very high98.2Very high11 Ų1123 Ų234%0.04310%0.096CC..Hα-helixtrans-52.8-40.6179.5-170.1-98.2000112.7D177 V187 G188 Y194 F195 I196 H258 M262 T300D177-Y192 HydrophobicContact CB-CD2 4.13Å; D177-Y192 HydrophobicContact CB-CE2 4.2Å; V187-Y192 HydrophobicContact CG1-CD2 3.69Å; V187-Y192 HydrophobicContact CG1-CG 4.43Å; G188-Y192 WeakPolarHBondContact O-CB 3.49Å; G188-Y192 PolarHBondContact O-N 3.19Å; Y192-Y194 VanDerWaalsContact C-N 3.32Å; Y192-Y194 PolarHBondContact O-N 3.2Å; Y192-F195 WeakPolarHBondContact O-CB 3.49Å; Y192-F195 PolarHBondContact O-N 2.92Å; Y192-I196 HydrophobicContact CD1-CG1 3.94Å; Y192-I196 HydrophobicContact CE1-CD1 3.84Å; Y192-I196 HydrophobicContact CE1-CG1 3.66Å; Y192-I196 HydrophobicContact CE2-CD1 4.43Å; Y192-I196 WeakPolarHBondContact O-CG1 3.43Å; Y192-I196 PolarHBondContact O-N 2.9Å; Y192-H258 AromaticContact CE2-ND1 3.69Å; Y192-H258 AromaticContact CZ-ND1 3.65Å; Y192-H258 PolarHBondContact OH-ND1 3.12Å; Y192-M262 HydrophobicContact CE1-CG 3.93Å; Y192-M262 HydrophobicContact CE1-SD 4.49Å; Y192-T300 HydrophobicContact CD1-CG2 3.65Å; Y192-T300 HydrophobicContact CE1-CG2 3.75Å
193R97.8Very high98.2Very high44 Ų4415.9 Ų15.917%0.1667%0.07CC..Hα-helixtrans-59-41.7176.876.1177.464.8-160.8-5.6112.9N191 F195 I196 L197 G303 P304N191-R193 VanDerWaalsContact C-N 3.25Å; N191-R193 PolarHBondContact O-N 3.2Å; R193-F195 VanDerWaalsContact C-N 3.33Å; R193-I196 PolarHBondContact O-N 2.71Å; R193-L197 WeakPolarHBondContact O-CG 3.31Å; R193-L197 PolarHBondContact O-N 3.44Å; R193-G303 VanDerWaalsContact CZ-O 3.27Å; R193-G303 PolarHBondContact NH1-O 3.05Å; R193-G303 PolarHBondContact NH2-O 3.42Å; R193-P304 VanDerWaalsContact NH2-C 3.3Å; R193-P304 PolarHBondContact NH2-O 2.89Å
194Y98.3Very high98.2Very high43 Ų4320.7 Ų20.717%0.16910%0.095CC..Hα-helixtrans-71.6-36.2-179-53.5-59.4000110.1R83 T84 T87 N191 Y192 I196 L197 F198 Q305R83-Y194 HydrophobicContact CB-CD1 4.43Å; R83-Y194 HydrophobicContact CB-CG 4.29Å; T84-Y194 VanDerWaalsContact OG1-CB 3.24Å; T84-Y194 WeakPolarHBondContact OG1-CB 3.39Å; T84-Y194 PolarHBondContact OG1-O 2.99Å; T87-Y194 HydrophobicContact CG2-CD2 4.45Å; T87-Y194 HydrophobicContact CG2-CE2 4.21Å; N191-Y194 HydrophobicContact CB-CD2 4.32Å; N191-Y194 PolarHBondContact O-N 3.36Å; Y192-Y194 VanDerWaalsContact C-N 3.32Å; Y192-Y194 PolarHBondContact O-N 3.2Å; Y194-I196 VanDerWaalsContact C-N 3.34Å; Y194-I196 PolarHBondContact O-N 3.43Å; Y194-L197 PolarHBondContact O-N 3.28Å; Y194-F198 VanDerWaalsContact O-CB 3.27Å; Y194-F198 WeakPolarHBondContact O-CB 3.36Å; Y194-F198 PolarHBondContact O-N 3.3Å; Y194-Q305 PolarHBondContact OH-OE1 3.05Å
195F98.6Very high98.2Very high4 Ų421 Ų212%0.01810%0.096CC..Hα-helixtrans-59.3-45.2172.5173.4-103.4000111.4T84 H178 I183 V187 N191 Y192 R193 F198 I199 L254 H258T84-F195 HydrophobicContact CG2-CB 3.63Å; T84-F195 HydrophobicContact CG2-CD2 4.36Å; T84-F195 HydrophobicContact CG2-CG 4.5Å; T84-F195 PolarHBondContact OG1-N 3.28Å; T84-F195 VanDerWaalsContact OG1-N 3.12Å; H178-F195 AromaticContact CE1-CZ 3.88Å; I183-F195 HydrophobicContact CG1-CD2 4.33Å; V187-F195 HydrophobicContact CG1-CB 3.87Å; V187-F195 HydrophobicContact CG1-CD1 4.05Å; V187-F195 HydrophobicContact CG1-CG 3.9Å; V187-F195 HydrophobicContact CG2-CD2 4.03Å; V187-F195 HydrophobicContact CG2-CE2 4.43Å; V187-F195 HydrophobicContact CG2-CG 4.19Å; N191-F195 PolarHBondContact O-N 3.19Å; Y192-F195 WeakPolarHBondContact O-CB 3.49Å; Y192-F195 PolarHBondContact O-N 2.92Å; R193-F195 VanDerWaalsContact C-N 3.33Å; F195-F198 WeakPolarHBondContact O-CB 3.49Å; F195-F198 PolarHBondContact O-N 2.96Å; F195-I199 HydrophobicContact CD2-CG2 4.38Å; F195-I199 HydrophobicContact CE1-CD1 4.08Å; F195-I199 HydrophobicContact CE1-CG2 4.38Å; F195-I199 HydrophobicContact CE2-CG2 3.92Å; F195-I199 HydrophobicContact CZ-CD1 4.5Å; F195-I199 HydrophobicContact CZ-CG2 3.92Å; F195-I199 PolarHBondContact O-N 3.03Å; F195-L254 HydrophobicContact CZ-CD2 4.15Å; F195-H258 AromaticContact CE1-CD2 3.81Å; F195-H258 AromaticContact CE1-CE1 3.61Å; F195-H258 AromaticContact CE1-ND1 3.97Å; F195-H258 AromaticContact CE1-NE2 3.49Å; F195-H258 WeakPolarHBondContact CE1-NE2 3.3Å; F195-H258 AromaticContact CZ-NE2 3.88Å
196I98.5Very high98.2Very high0 Ų021.5 Ų21.50%010%0.1CC..Hα-helixtrans-63.3-47.2176.3-61.3-56.5000111.8Y192 R193 Y194 F198 I199 Y200 H258 M262 L301Y192-I196 HydrophobicContact CD1-CG1 3.94Å; Y192-I196 HydrophobicContact CE1-CD1 3.84Å; Y192-I196 HydrophobicContact CE1-CG1 3.66Å; Y192-I196 HydrophobicContact CE2-CD1 4.43Å; Y192-I196 WeakPolarHBondContact O-CG1 3.43Å; Y192-I196 PolarHBondContact O-N 2.9Å; R193-I196 PolarHBondContact O-N 2.71Å; Y194-I196 VanDerWaalsContact C-N 3.34Å; Y194-I196 PolarHBondContact O-N 3.43Å; I196-F198 PolarHBondContact O-N 3.42Å; I196-I199 HydrophobicContact CD1-CD1 3.91Å; I196-I199 VanDerWaalsContact O-CG1 3.26Å; I196-I199 WeakPolarHBondContact O-CG1 3.37Å; I196-I199 PolarHBondContact O-N 2.88Å; I196-Y200 HydrophobicContact CG2-CD2 3.77Å; I196-Y200 HydrophobicContact CG2-CE1 4.18Å; I196-Y200 HydrophobicContact CG2-CE2 3.33Å; I196-Y200 HydrophobicContact CG2-CG 4.34Å; I196-Y200 WeakPolarHBondContact O-CB 3.42Å; I196-Y200 PolarHBondContact O-N 3.22Å; I196-H258 HydrophobicContact CD1-CB 3.58Å; I196-M262 HydrophobicContact CB-SD 4.39Å; I196-M262 HydrophobicContact CD1-SD 3.78Å; I196-M262 HydrophobicContact CG1-SD 3.74Å; I196-M262 HydrophobicContact CG2-CE 4.06Å; I196-M262 HydrophobicContact CG2-SD 3.77Å; I196-L301 HydrophobicContact CB-CD2 4.12Å; I196-L301 HydrophobicContact CG2-CD2 3.67Å
197L98.2Very high98.2Very high51 Ų5125 Ų2527%0.26712%0.118SC..Hα-helixtrans-61.1-37176.9-66.9173.6000111.7R193 Y194 S201 L301R193-L197 WeakPolarHBondContact O-CG 3.31Å; R193-L197 PolarHBondContact O-N 3.44Å; Y194-L197 PolarHBondContact O-N 3.28Å; L197-S201 VanDerWaalsContact O-CB 3.24Å; L197-S201 WeakPolarHBondContact O-CB 3.2Å; L197-S201 PolarHBondContact O-N 3.45Å; L197-S201 PolarHBondContact O-OG 3.16Å; L197-L301 HydrophobicContact CD2-CD2 4.27Å
198F98.5Very high98.1Very high13 Ų1327 Ų276%0.05713%0.126CC..Hα-helixtrans-62.3-54.8173.9166.9-114.6000111.6I43 V77 A80 F81 I183 Y194 F195 I196 Y200 S201 L202I43-F198 HydrophobicContact CD1-CE2 4.3Å; V77-F198 HydrophobicContact CG1-CD2 4.31Å; V77-F198 HydrophobicContact CG1-CE2 4.08Å; A80-F198 HydrophobicContact CB-CB 3.86Å; F81-F198 HydrophobicContact CB-CD2 3.7Å; F81-F198 HydrophobicContact CB-CE2 3.7Å; F81-F198 HydrophobicContact CB-CG 4.46Å; F81-F198 HydrophobicContact CB-CZ 4.44Å; F81-F198 HydrophobicContact CD2-CD2 4.23Å; F81-F198 HydrophobicContact CD2-CE1 4.01Å; F81-F198 AromaticContact CD2-CE2 3.64Å; F81-F198 HydrophobicContact CD2-CE2 3.64Å; F81-F198 AromaticContact CD2-CZ 3.51Å; F81-F198 HydrophobicContact CD2-CZ 3.51Å; F81-F198 HydrophobicContact CE2-CZ 4.2Å; F81-F198 HydrophobicContact CG-CD2 4.46Å; F81-F198 HydrophobicContact CG-CE2 4.06Å; F81-F198 HydrophobicContact CG-CZ 4.37Å; I183-F198 HydrophobicContact CD1-CD1 3.74Å; I183-F198 HydrophobicContact CD1-CE1 3.59Å; I183-F198 HydrophobicContact CD1-CZ 4.37Å; Y194-F198 VanDerWaalsContact O-CB 3.27Å; Y194-F198 WeakPolarHBondContact O-CB 3.36Å; Y194-F198 PolarHBondContact O-N 3.3Å; F195-F198 WeakPolarHBondContact O-CB 3.49Å; F195-F198 PolarHBondContact O-N 2.96Å; I196-F198 PolarHBondContact O-N 3.42Å; F198-Y200 VanDerWaalsContact C-N 3.31Å; F198-Y200 PolarHBondContact O-N 3.48Å; F198-S201 PolarHBondContact O-N 3.5Å; F198-S201 PolarHBondContact O-OG 3.28Å; F198-L202 HydrophobicContact CE1-CD2 4.37Å; F198-L202 HydrophobicContact CE2-CB 4.29Å; F198-L202 HydrophobicContact CE2-CD2 4.05Å; F198-L202 HydrophobicContact CZ-CD2 3.71Å; F198-L202 VanDerWaalsContact O-CB 3.25Å; F198-L202 WeakPolarHBondContact O-CB 3.13Å; F198-L202 PolarHBondContact O-N 2.97Å
199I98.2Very high98.2Very high3 Ų327.1 Ų27.12%0.01513%0.126CC..Hα-helixtrans-64.6-34.2-17864.8-179.2000112.6F195 I196 S203 V251 L254 S255 H258F195-I199 HydrophobicContact CD2-CG2 4.38Å; F195-I199 HydrophobicContact CE1-CD1 4.08Å; F195-I199 HydrophobicContact CE1-CG2 4.38Å; F195-I199 HydrophobicContact CE2-CG2 3.92Å; F195-I199 HydrophobicContact CZ-CD1 4.5Å; F195-I199 HydrophobicContact CZ-CG2 3.92Å; F195-I199 PolarHBondContact O-N 3.03Å; I196-I199 HydrophobicContact CD1-CD1 3.91Å; I196-I199 VanDerWaalsContact O-CG1 3.26Å; I196-I199 WeakPolarHBondContact O-CG1 3.37Å; I196-I199 PolarHBondContact O-N 2.88Å; I199-S203 WeakPolarHBondContact O-CB 3.15Å; I199-S203 PolarHBondContact O-N 3Å; I199-S203 PolarHBondContact O-OG 3.28Å; I199-V251 HydrophobicContact CB-CG1 4.36Å; I199-V251 WeakPolarHBondContact O-CG1 3.43Å; I199-L254 HydrophobicContact CD1-CG 4.48Å; I199-L254 HydrophobicContact CG2-CD2 4.04Å; I199-S255 PolarHBondContact O-OG 3.01Å; I199-H258 HydrophobicContact CD1-CB 4.03Å
200Y98.4Very high98.2Very high44 Ų4425.5 Ų25.517%0.17312%0.119CC..Hα-helixtrans-67.9-49174.5-70.5-12.3000111.9I196 F198 L202 S203 I204 T259 Y297I196-Y200 HydrophobicContact CG2-CD2 3.77Å; I196-Y200 HydrophobicContact CG2-CE1 4.18Å; I196-Y200 HydrophobicContact CG2-CE2 3.33Å; I196-Y200 HydrophobicContact CG2-CG 4.34Å; I196-Y200 WeakPolarHBondContact O-CB 3.42Å; I196-Y200 PolarHBondContact O-N 3.22Å; F198-Y200 VanDerWaalsContact C-N 3.31Å; F198-Y200 PolarHBondContact O-N 3.48Å; Y200-L202 VanDerWaalsContact C-N 3.31Å; Y200-L202 PolarHBondContact O-N 2.86Å; Y200-S203 PolarHBondContact O-N 3.35Å; Y200-I204 WeakPolarHBondContact O-CG1 3.47Å; Y200-I204 PolarHBondContact O-N 3.09Å; Y200-T259 PolarHBondContact OH-OG1 2.78Å; Y200-Y297 HydrophobicContact CE2-CE2 4.33Å; Y200-Y297 WeakPolarHBondContact OH-CE2 3.45Å
201S98.2Very high98.2Very high3 Ų327.1 Ų27.12%0.02113%0.133CC..Hα-helixtrans-62.8-39.7178.461.50000112.5Q73 Y76 L197 F198 I204 Y205Q73-S201 PolarHBondContact NE2-O 2.96Å; Y76-S201 VanDerWaalsContact CD1-CB 3.44Å; L197-S201 VanDerWaalsContact O-CB 3.24Å; L197-S201 WeakPolarHBondContact O-CB 3.2Å; L197-S201 PolarHBondContact O-N 3.45Å; L197-S201 PolarHBondContact O-OG 3.16Å; F198-S201 PolarHBondContact O-N 3.5Å; F198-S201 PolarHBondContact O-OG 3.28Å; S201-I204 PolarHBondContact O-N 2.95Å; S201-Y205 VanDerWaalsContact O-CB 3.28Å; S201-Y205 WeakPolarHBondContact O-CB 3.26Å; S201-Y205 PolarHBondContact O-N 3.24Å
202L98.3Very high98.2Very high26 Ų2629.2 Ų29.214%0.13614%0.142CC..Hα-helixtrans-65.6-42.1175.8-176.563.8000111.2V77 F198 Y200 I204 Y205 C206 V251V77-L202 HydrophobicContact CG1-CD1 4.15Å; F198-L202 HydrophobicContact CE1-CD2 4.37Å; F198-L202 HydrophobicContact CE2-CB 4.29Å; F198-L202 HydrophobicContact CE2-CD2 4.05Å; F198-L202 HydrophobicContact CZ-CD2 3.71Å; F198-L202 VanDerWaalsContact O-CB 3.25Å; F198-L202 WeakPolarHBondContact O-CB 3.13Å; F198-L202 PolarHBondContact O-N 2.97Å; Y200-L202 VanDerWaalsContact C-N 3.31Å; Y200-L202 PolarHBondContact O-N 2.86Å; L202-I204 PolarHBondContact O-N 3.43Å; L202-Y205 PolarHBondContact O-N 3.42Å; L202-C206 WeakPolarHBondContact O-CB 3.48Å; L202-C206 PolarHBondContact O-N 3.16Å; L202-C206 PolarHBondContact O-SG 3.21Å; L202-C206 VanDerWaalsContact O-SG 3.33Å; L202-V251 HydrophobicContact CB-CG1 4.21Å; L202-V251 HydrophobicContact CD2-CG1 4.02Å; L202-V251 HydrophobicContact CD2-CG2 3.9Å; L202-V251 HydrophobicContact CG-CG1 4.13Å; L202-V251 HydrophobicContact CG-CG2 4.42Å
203S98Very high98.2Very high5 Ų528.7 Ų28.74%0.03514%0.14CC..Hα-helixtrans-57.9-48.5175-61.10000111.6I199 Y200 Y205 L207 V251 F252 S255I199-S203 WeakPolarHBondContact O-CB 3.15Å; I199-S203 PolarHBondContact O-N 3Å; I199-S203 PolarHBondContact O-OG 3.28Å; Y200-S203 PolarHBondContact O-N 3.35Å; S203-Y205 VanDerWaalsContact C-N 3.3Å; S203-Y205 PolarHBondContact O-N 3.25Å; S203-L207 WeakPolarHBondContact O-CB 3.47Å; S203-L207 PolarHBondContact O-N 2.81Å; S203-V251 VanDerWaalsContact OG-CG1 3.3Å; S203-V251 WeakPolarHBondContact OG-CG1 3.43Å; S203-V251 PolarHBondContact OG-O 2.75Å; S203-F252 WeakPolarHBondContact O-CE2 3.45Å; S203-S255 PolarHBondContact OG-OG 3.44Å; S203-S255 VanDerWaalsContact OG-OG 3.04Å
204I97.7Very high98.2Very high102 Ų10230 Ų3052%0.52315%0.15SC..Hα-helixtrans-61.9-41.4177.2-66.9165.8000110.3Y200 S201 L202 L207 Y208Y200-I204 WeakPolarHBondContact O-CG1 3.47Å; Y200-I204 PolarHBondContact O-N 3.09Å; S201-I204 PolarHBondContact O-N 2.95Å; L202-I204 PolarHBondContact O-N 3.43Å; I204-L207 PolarHBondContact O-N 3.16Å; I204-Y208 WeakPolarHBondContact O-CB 2.97Å; I204-Y208 PolarHBondContact O-N 3.47Å
205Y98.2Very high98.2Very high6 Ų630.1 Ų30.12%0.02416%0.155CC..Hα-helixtrans-71.1-41.3-177.6-167-133.7000113T47 Q73 F74 V77 S201 L202 S203 L207 Y208 I209T47-Y205 VanDerWaalsContact CG2-OH 3.24Å; T47-Y205 WeakPolarHBondContact CG2-OH 3.47Å; T47-Y205 PolarHBondContact OG1-OH 2.59Å; Q73-Y205 HydrophobicContact CB-CD2 3.91Å; Q73-Y205 HydrophobicContact CB-CE2 4.31Å; Q73-Y205 HydrophobicContact CG-CD2 3.53Å; Q73-Y205 HydrophobicContact CG-CE2 4.39Å; Q73-Y205 HydrophobicContact CG-CG 3.89Å; F74-Y205 HydrophobicContact CB-CE1 4.33Å; F74-Y205 HydrophobicContact CD2-CE1 4.37Å; V77-Y205 HydrophobicContact CG2-CD1 4.29Å; V77-Y205 HydrophobicContact CG2-CG 4.34Å; S201-Y205 VanDerWaalsContact O-CB 3.28Å; S201-Y205 WeakPolarHBondContact O-CB 3.26Å; S201-Y205 PolarHBondContact O-N 3.24Å; L202-Y205 PolarHBondContact O-N 3.42Å; S203-Y205 VanDerWaalsContact C-N 3.3Å; S203-Y205 PolarHBondContact O-N 3.25Å; Y205-L207 VanDerWaalsContact C-N 3.33Å; Y205-L207 PolarHBondContact O-N 3.15Å; Y205-Y208 WeakPolarHBondContact O-CB 3.33Å; Y205-Y208 PolarHBondContact O-N 3.32Å; Y205-I209 HydrophobicContact CD1-CD1 4.25Å; Y205-I209 HydrophobicContact CD2-CD1 4.49Å; Y205-I209 HydrophobicContact CD2-CG1 4.42Å; Y205-I209 HydrophobicContact CE1-CD1 3.77Å; Y205-I209 HydrophobicContact CE2-CD1 4.03Å; Y205-I209 HydrophobicContact CE2-CG1 4.11Å; Y205-I209 PolarHBondContact O-N 3.35Å
206C97.9Very high98.1Very high12 Ų1230 Ų308%0.08115%0.154CC..Hα-helixtrans-60.5-43.5172.6-710000111.2L202 Y208 L210L202-C206 WeakPolarHBondContact O-CB 3.48Å; L202-C206 PolarHBondContact O-N 3.16Å; L202-C206 PolarHBondContact O-SG 3.21Å; L202-C206 VanDerWaalsContact O-SG 3.33Å; C206-Y208 VanDerWaalsContact C-N 3.35Å; C206-L210 VanDerWaalsContact O-CB 3.23Å; C206-L210 WeakPolarHBondContact O-CB 3.44Å; C206-L210 PolarHBondContact O-N 3.05Å
207L97.7Very high98.1Very high73 Ų7331 Ų3138%0.38216%0.159SC..Hα-helixtrans-63.2-42.3175.4179.862.3000111.6S203 I204 Y205 L210 V211 M248 F252S203-L207 WeakPolarHBondContact O-CB 3.47Å; S203-L207 PolarHBondContact O-N 2.81Å; I204-L207 PolarHBondContact O-N 3.16Å; Y205-L207 VanDerWaalsContact C-N 3.33Å; Y205-L207 PolarHBondContact O-N 3.15Å; L207-L210 PolarHBondContact O-N 3.22Å; L207-V211 HydrophobicContact CD1-CG2 4.03Å; L207-V211 HydrophobicContact CG-CG2 4.45Å; L207-V211 WeakPolarHBondContact O-CB 3.39Å; L207-V211 VanDerWaalsContact O-CG2 3.31Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 2.97Å; L207-M248 HydrophobicContact CD1-SD 4.23Å; L207-F252 HydrophobicContact CB-CE2 4.38Å; L207-F252 HydrophobicContact CD2-CZ 4.3Å
208Y98.2Very high98Very high44 Ų4432.7 Ų32.717%0.17317%0.168CC..Hα-helixtrans-58.1-54177.8-176.7-82.1000111.6F50 V66 A70 I204 Y205 C206 L210 V211 F212F50-Y208 HydrophobicContact CE1-CD1 4.4Å; F50-Y208 AromaticContact CE1-CE1 3.88Å; F50-Y208 HydrophobicContact CE1-CE1 3.88Å; F50-Y208 HydrophobicContact CZ-CD1 4.23Å; F50-Y208 AromaticContact CZ-CE1 3.77Å; F50-Y208 HydrophobicContact CZ-CE1 3.77Å; V66-Y208 WeakPolarHBondContact CA-OH 3.48Å; V66-Y208 PolarHBondContact O-OH 2.91Å; A70-Y208 HydrophobicContact CB-CE1 3.78Å; I204-Y208 WeakPolarHBondContact O-CB 2.97Å; I204-Y208 PolarHBondContact O-N 3.47Å; Y205-Y208 WeakPolarHBondContact O-CB 3.33Å; Y205-Y208 PolarHBondContact O-N 3.32Å; C206-Y208 VanDerWaalsContact C-N 3.35Å; Y208-L210 PolarHBondContact O-N 2.97Å; Y208-V211 PolarHBondContact O-N 3.21Å; Y208-F212 AromaticContact CD1-CD2 3.85Å; Y208-F212 HydrophobicContact CD1-CD2 3.85Å; Y208-F212 HydrophobicContact CD1-CE2 4.36Å; Y208-F212 HydrophobicContact CD2-CD2 4.09Å; Y208-F212 AromaticContact CD2-CE2 3.85Å; Y208-F212 HydrophobicContact CD2-CE2 3.85Å; Y208-F212 AromaticContact CE1-CD2 3.52Å; Y208-F212 HydrophobicContact CE1-CD2 3.52Å; Y208-F212 AromaticContact CE1-CE2 3.87Å; Y208-F212 HydrophobicContact CE1-CE2 3.87Å; Y208-F212 HydrophobicContact CE1-CG 4.43Å; Y208-F212 AromaticContact CE2-CD2 3.82Å; Y208-F212 HydrophobicContact CE2-CD2 3.82Å; Y208-F212 AromaticContact CE2-CE2 3.32Å; Y208-F212 HydrophobicContact CE2-CE2 3.32Å; Y208-F212 HydrophobicContact CE2-CZ 4.32Å; Y208-F212 HydrophobicContact CG-CD2 4.1Å; Y208-F212 HydrophobicContact CG-CE2 4.33Å; Y208-F212 AromaticContact CZ-CD2 3.49Å; Y208-F212 VanDerWaalsContact CZ-CD2 3.49Å; Y208-F212 AromaticContact CZ-CE2 3.3Å; Y208-F212 WeakPolarHBondContact O-CD2 3.39Å; Y208-F212 PolarHBondContact O-N 3.39Å
209I98.4Very high97.9Very high2 Ų234.1 Ų34.11%0.0118%0.176CC..Hα-helixtrans-60.9-47.5178.9-66.7-179.2000110V46 F50 Y205 V211 F212 S213 D240 T244V46-I209 HydrophobicContact CG1-CD1 3.77Å; V46-I209 HydrophobicContact CG1-CG2 4.33Å; F50-I209 HydrophobicContact CB-CD1 4.39Å; F50-I209 HydrophobicContact CB-CG2 4.36Å; F50-I209 HydrophobicContact CD1-CG1 4.3Å; F50-I209 HydrophobicContact CD2-CB 4.28Å; F50-I209 HydrophobicContact CD2-CG1 4.17Å; F50-I209 HydrophobicContact CD2-CG2 3.76Å; F50-I209 HydrophobicContact CE2-CG2 4.39Å; F50-I209 HydrophobicContact CG-CD1 4.42Å; F50-I209 HydrophobicContact CG-CG1 4.07Å; F50-I209 HydrophobicContact CG-CG2 4.21Å; Y205-I209 HydrophobicContact CD1-CD1 4.25Å; Y205-I209 HydrophobicContact CD2-CD1 4.49Å; Y205-I209 HydrophobicContact CD2-CG1 4.42Å; Y205-I209 HydrophobicContact CE1-CD1 3.77Å; Y205-I209 HydrophobicContact CE2-CD1 4.03Å; Y205-I209 HydrophobicContact CE2-CG1 4.11Å; Y205-I209 PolarHBondContact O-N 3.35Å; I209-V211 VanDerWaalsContact C-N 3.35Å; I209-V211 PolarHBondContact O-N 3.24Å; I209-F212 PolarHBondContact O-N 3.04Å; I209-S213 WeakPolarHBondContact O-CB 3.36Å; I209-S213 PolarHBondContact O-N 2.91Å; I209-S213 PolarHBondContact O-OG 2.98Å; I209-D240 HydrophobicContact CG2-CB 4.04Å; I209-T244 HydrophobicContact CB-CG2 3.96Å; I209-T244 HydrophobicContact CG2-CG2 3.71Å
210L98Very high97.8Very high13 Ų1334.5 Ų34.57%0.06818%0.178CC..Hα-helixtrans-53.8-49.9179.1178.661.6000112.2C206 L207 Y208 I214 I241 F245 M248C206-L210 VanDerWaalsContact O-CB 3.23Å; C206-L210 WeakPolarHBondContact O-CB 3.44Å; C206-L210 PolarHBondContact O-N 3.05Å; L207-L210 PolarHBondContact O-N 3.22Å; Y208-L210 PolarHBondContact O-N 2.97Å; L210-I214 HydrophobicContact CD1-CD1 3.93Å; L210-I214 HydrophobicContact CD1-CG1 4.48Å; L210-I214 HydrophobicContact CG-CD1 4.12Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.47Å; L210-I214 PolarHBondContact O-N 3.43Å; L210-I214 VanDerWaalsContact O-N 3.09Å; L210-I241 HydrophobicContact CD1-CB 4.31Å; L210-I241 HydrophobicContact CD1-CG1 4.24Å; L210-I241 HydrophobicContact CD1-CG2 3.97Å; L210-F245 HydrophobicContact CD1-CB 4.37Å; L210-M248 HydrophobicContact CD2-CE 3.93Å; L210-M248 HydrophobicContact CD2-SD 3.83Å
211V98Very high97.7Very high70 Ų7038 Ų3842%0.42419%0.191SC..Hα-helixtrans-63.2-48.5-179.41700000110.9L207 Y208 I209 I214 V215L207-V211 HydrophobicContact CD1-CG2 4.03Å; L207-V211 HydrophobicContact CG-CG2 4.45Å; L207-V211 WeakPolarHBondContact O-CB 3.39Å; L207-V211 VanDerWaalsContact O-CG2 3.31Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 2.97Å; Y208-V211 PolarHBondContact O-N 3.21Å; I209-V211 VanDerWaalsContact C-N 3.35Å; I209-V211 PolarHBondContact O-N 3.24Å; V211-I214 PolarHBondContact O-N 2.85Å; V211-V215 HydrophobicContact CG1-CG2 4.44Å; V211-V215 VanDerWaalsContact O-CG2 3.31Å; V211-V215 WeakPolarHBondContact O-CG2 3.37Å; V211-V215 PolarHBondContact O-N 2.81Å
212F98.4Very high97.6Very high45 Ų4544 Ų4420%0.19722%0.219CC..Hα-helixtrans-70.8-34.5-177.3-81.9-71.5000113.1F50 L58 L62 V66 Y208 I209 I214 V215 N216F50-F212 HydrophobicContact CE2-CB 3.6Å; F50-F212 HydrophobicContact CZ-CB 3.72Å; F50-F212 HydrophobicContact CZ-CG 4.34Å; L58-F212 HydrophobicContact CD1-CB 4.01Å; L58-F212 HydrophobicContact CD1-CD1 3.85Å; L58-F212 HydrophobicContact CD1-CG 4.38Å; L62-F212 HydrophobicContact CD1-CD1 4.47Å; L62-F212 HydrophobicContact CD1-CE1 4.15Å; V66-F212 HydrophobicContact CG1-CD1 4.06Å; V66-F212 HydrophobicContact CG1-CE1 4.1Å; V66-F212 HydrophobicContact CG1-CG 4.31Å; V66-F212 HydrophobicContact CG1-CZ 4.42Å; V66-F212 HydrophobicContact CG2-CD1 4.34Å; V66-F212 HydrophobicContact CG2-CE1 3.65Å; V66-F212 HydrophobicContact CG2-CZ 3.97Å; Y208-F212 AromaticContact CD1-CD2 3.85Å; Y208-F212 HydrophobicContact CD1-CD2 3.85Å; Y208-F212 HydrophobicContact CD1-CE2 4.36Å; Y208-F212 HydrophobicContact CD2-CD2 4.09Å; Y208-F212 AromaticContact CD2-CE2 3.85Å; Y208-F212 HydrophobicContact CD2-CE2 3.85Å; Y208-F212 AromaticContact CE1-CD2 3.52Å; Y208-F212 HydrophobicContact CE1-CD2 3.52Å; Y208-F212 AromaticContact CE1-CE2 3.87Å; Y208-F212 HydrophobicContact CE1-CE2 3.87Å; Y208-F212 HydrophobicContact CE1-CG 4.43Å; Y208-F212 AromaticContact CE2-CD2 3.82Å; Y208-F212 HydrophobicContact CE2-CD2 3.82Å; Y208-F212 AromaticContact CE2-CE2 3.32Å; Y208-F212 HydrophobicContact CE2-CE2 3.32Å; Y208-F212 HydrophobicContact CE2-CZ 4.32Å; Y208-F212 HydrophobicContact CG-CD2 4.1Å; Y208-F212 HydrophobicContact CG-CE2 4.33Å; Y208-F212 AromaticContact CZ-CD2 3.49Å; Y208-F212 VanDerWaalsContact CZ-CD2 3.49Å; Y208-F212 AromaticContact CZ-CE2 3.3Å; Y208-F212 WeakPolarHBondContact O-CD2 3.39Å; Y208-F212 PolarHBondContact O-N 3.39Å; I209-F212 PolarHBondContact O-N 3.04Å; F212-I214 VanDerWaalsContact C-N 3.33Å; F212-V215 PolarHBondContact O-N 2.98Å; F212-N216 WeakPolarHBondContact O-CB 3.34Å; F212-N216 PolarHBondContact O-N 2.73Å
213S98.1Very high97.5Very high0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-65.7-36.2173.1-58.40000111.7D54 I209 L217D54-S213 WeakPolarHBondContact OD2-CB 3.22Å; D54-S213 PolarHBondContact OD2-OG 2.95Å; I209-S213 WeakPolarHBondContact O-CB 3.36Å; I209-S213 PolarHBondContact O-N 2.91Å; I209-S213 PolarHBondContact O-OG 2.98Å; S213-L217 PolarHBondContact O-N 3.34Å
214I97.9Very high97.4Very high72 Ų7253.9 Ų53.937%0.36926%0.258SS..Hα-helixtrans-65.4-47.3171.6-70.2167.4000110.8L210 V211 F212 N216 L217 I218 I241L210-I214 HydrophobicContact CD1-CD1 3.93Å; L210-I214 HydrophobicContact CD1-CG1 4.48Å; L210-I214 HydrophobicContact CG-CD1 4.12Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.47Å; L210-I214 PolarHBondContact O-N 3.43Å; L210-I214 VanDerWaalsContact O-N 3.09Å; V211-I214 PolarHBondContact O-N 2.85Å; F212-I214 VanDerWaalsContact C-N 3.33Å; I214-N216 VanDerWaalsContact C-N 3.29Å; I214-N216 PolarHBondContact O-N 3.48Å; I214-L217 PolarHBondContact O-N 2.82Å; I214-L217 VanDerWaalsContact O-N 3.15Å; I214-I218 HydrophobicContact CG2-CD1 3.77Å; I214-I218 HydrophobicContact CG2-CG1 4.38Å; I214-I218 WeakPolarHBondContact O-CG1 3.49Å; I214-I218 PolarHBondContact O-N 2.7Å; I214-I241 HydrophobicContact CG1-CD1 3.85Å; I214-I241 HydrophobicContact CG1-CG1 4.09Å
215V97.8Very high97.2Very high45 Ų4557.1 Ų57.127%0.27327%0.271SS..Hα-helixtrans-58.7-41.4177.9169.30000111.2L58 L62 V211 F212 L217 I218 L219L58-V215 HydrophobicContact CD2-CG1 4.16Å; L62-V215 HydrophobicContact CD1-CG1 4.15Å; V211-V215 HydrophobicContact CG1-CG2 4.44Å; V211-V215 VanDerWaalsContact O-CG2 3.31Å; V211-V215 WeakPolarHBondContact O-CG2 3.37Å; V211-V215 PolarHBondContact O-N 2.81Å; F212-V215 PolarHBondContact O-N 2.98Å; V215-L217 VanDerWaalsContact C-N 3.35Å; V215-L217 PolarHBondContact O-N 2.79Å; V215-I218 PolarHBondContact O-N 3.12Å; V215-L219 HydrophobicContact CG1-CD1 3.8Å; V215-L219 HydrophobicContact CG1-CG 4.27Å; V215-L219 WeakPolarHBondContact O-CG 3.37Å; V215-L219 PolarHBondContact O-N 2.96Å
216N97.7Very high97.1Very high2 Ų260.4 Ų60.41%0.01129%0.289CS..Hα-helixtrans-58.9-44.7175.8-17850.2000112D54 L57 L58 F212 I214 L219 L220 S234 S237D54-N216 HydrophobicContact CB-CB 4.43Å; D54-N216 WeakPolarHBondContact OD1-CB 3.49Å; D54-N216 PolarHBondContact OD1-ND2 3.41Å; L57-N216 WeakPolarHBondContact CB-OD1 3.5Å; L57-N216 WeakPolarHBondContact CD1-OD1 3.28Å; L58-N216 HydrophobicContact CD1-CB 4.12Å; L58-N216 HydrophobicContact CD2-CB 4.08Å; L58-N216 HydrophobicContact CG-CB 4.09Å; F212-N216 WeakPolarHBondContact O-CB 3.34Å; F212-N216 PolarHBondContact O-N 2.73Å; I214-N216 VanDerWaalsContact C-N 3.29Å; I214-N216 PolarHBondContact O-N 3.48Å; N216-L219 PolarHBondContact O-N 3.37Å; N216-L220 WeakPolarHBondContact O-CB 3.19Å; N216-L220 WeakPolarHBondContact O-CG 3.47Å; N216-L220 PolarHBondContact O-N 2.77Å; N216-S234 PolarHBondContact ND2-OG 3.4Å; N216-S237 PolarHBondContact ND2-OG 2.82Å
217L97.3Very high96.9Very high20 Ų2063.9 Ų63.911%0.10531%0.306CS..Hα-helixtrans-65.7-39.1176.8-70.2175.4000112.9S213 I214 V215 L220 Y221 I238 I241S213-L217 PolarHBondContact O-N 3.34Å; I214-L217 PolarHBondContact O-N 2.82Å; I214-L217 VanDerWaalsContact O-N 3.15Å; V215-L217 VanDerWaalsContact C-N 3.35Å; V215-L217 PolarHBondContact O-N 2.79Å; L217-L220 PolarHBondContact O-N 3.32Å; L217-Y221 WeakPolarHBondContact O-CB 3.38Å; L217-Y221 PolarHBondContact O-N 3.03Å; L217-I238 HydrophobicContact CD1-CD1 3.48Å; L217-I238 VanDerWaalsContact CD1-CD1 3.48Å; L217-I238 HydrophobicContact CD1-CG1 4.35Å; L217-I238 HydrophobicContact CD2-CD1 4.45Å; L217-I241 HydrophobicContact CD1-CD1 3.44Å; L217-I241 VanDerWaalsContact CD1-CD1 3.44Å; L217-I241 HydrophobicContact CG-CD1 4.49Å
218I97Very high96.8Very high86 Ų8664.9 Ų64.944%0.44131%0.311SS..Hα-helixtrans-62.8-48.1176.7-67.7169.6000110.5I214 V215 L220 Y221 E222I214-I218 HydrophobicContact CG2-CD1 3.77Å; I214-I218 HydrophobicContact CG2-CG1 4.38Å; I214-I218 WeakPolarHBondContact O-CG1 3.49Å; I214-I218 PolarHBondContact O-N 2.7Å; V215-I218 PolarHBondContact O-N 3.12Å; I218-L220 VanDerWaalsContact C-N 3.33Å; I218-L220 PolarHBondContact O-N 3.17Å; I218-Y221 WeakPolarHBondContact O-CB 3.37Å; I218-Y221 PolarHBondContact O-N 3.16Å; I218-Y221 VanDerWaalsContact O-N 3.16Å; I218-E222 WeakPolarHBondContact O-CG 3.17Å; I218-E222 PolarHBondContact O-N 2.94Å
219L96.6Very high96.7Very high43 Ų4366.3 Ų66.323%0.22532%0.32CS..Hα-helixtrans-65.4-35.4179.9-68.6172000112.6L58 I61 L62 V215 N216 K223L58-L219 HydrophobicContact CD2-CD1 3.63Å; I61-L219 HydrophobicContact CG2-CD1 4.11Å; L62-L219 HydrophobicContact CD2-CD1 4.42Å; V215-L219 HydrophobicContact CG1-CD1 3.8Å; V215-L219 HydrophobicContact CG1-CG 4.27Å; V215-L219 WeakPolarHBondContact O-CG 3.37Å; V215-L219 PolarHBondContact O-N 2.96Å; N216-L219 PolarHBondContact O-N 3.37Å; L219-K223 WeakPolarHBondContact O-CB 3.35Å; L219-K223 PolarHBondContact O-N 2.94Å; L219-K223 VanDerWaalsContact O-N 3.12Å
220L96.5Very high96.6Very high11 Ų1166.2 Ų66.26%0.05832%0.32CS..Hα-helixtrans-67.6-40.1172.9-75.5171.3000111.7L57 N216 L217 I218 K223 Y224 A230 I233L57-L220 HydrophobicContact CD1-CD1 3.99Å; L57-L220 HydrophobicContact CD1-CD2 4.23Å; L57-L220 HydrophobicContact CD1-CG 4.44Å; N216-L220 WeakPolarHBondContact O-CB 3.19Å; N216-L220 WeakPolarHBondContact O-CG 3.47Å; N216-L220 PolarHBondContact O-N 2.77Å; L217-L220 PolarHBondContact O-N 3.32Å; I218-L220 VanDerWaalsContact C-N 3.33Å; I218-L220 PolarHBondContact O-N 3.17Å; L220-K223 PolarHBondContact O-N 3.36Å; L220-Y224 HydrophobicContact CD2-CD2 4.39Å; L220-Y224 HydrophobicContact CD2-CE2 4Å; L220-Y224 VanDerWaalsContact O-CD2 3.31Å; L220-Y224 WeakPolarHBondContact O-CD2 3.31Å; L220-Y224 PolarHBondContact O-N 3.02Å; L220-Y224 VanDerWaalsContact O-N 3.1Å; L220-A230 HydrophobicContact CB-CB 3.64Å; L220-I233 HydrophobicContact CD1-CB 4.44Å; L220-I233 HydrophobicContact CD1-CG2 4.18Å; L220-I233 HydrophobicContact CD2-CD1 4.29Å; L220-I233 HydrophobicContact CD2-CG2 3.95Å
221Y96.8Very high96.5Very high118 Ų11868.6 Ų68.646%0.46333%0.332SS..Hα-helixtrans-62.7-45.9175.1174-108.3000111.5L217 I218 K223 Y224 E225 I227L217-Y221 WeakPolarHBondContact O-CB 3.38Å; L217-Y221 PolarHBondContact O-N 3.03Å; I218-Y221 WeakPolarHBondContact O-CB 3.37Å; I218-Y221 PolarHBondContact O-N 3.16Å; I218-Y221 VanDerWaalsContact O-N 3.16Å; Y221-K223 PolarHBondContact O-N 3.28Å; Y221-Y224 PolarHBondContact O-N 3.16Å; Y221-E225 WeakPolarHBondContact O-CA 3.46Å; Y221-E225 PolarHBondContact O-N 2.9Å; Y221-I227 HydrophobicContact CD2-CB 4.12Å; Y221-I227 HydrophobicContact CE2-CB 4.48Å
222E95.4Very high96.4Very high128 Ų12872.5 Ų72.560%0.59834%0.343SS*.Hα-helixtrans-60.7-34176.4-72.5178.6172.800112.7I218I218-E222 WeakPolarHBondContact O-CG 3.17Å; I218-E222 PolarHBondContact O-N 2.94Å
223K95.4Very high96.3Very high143 Ų14372.8 Ų72.862%0.62235%0.346SS*.Hα-helixtrans-75-36.7-179.4-178.3175.7177.3-174.90113.9L219 L220 Y221L219-K223 WeakPolarHBondContact O-CB 3.35Å; L219-K223 PolarHBondContact O-N 2.94Å; L219-K223 VanDerWaalsContact O-N 3.12Å; L220-K223 PolarHBondContact O-N 3.36Å; Y221-K223 PolarHBondContact O-N 3.28Å
224Y95.8Very high96.2Very high97 Ų9772.8 Ų72.838%0.3835%0.346SS..Hα-helixtrans-110.2-8.9-172.7-67.2-76000113.7L220 Y221 D226 M229 I233L220-Y224 HydrophobicContact CD2-CD2 4.39Å; L220-Y224 HydrophobicContact CD2-CE2 4Å; L220-Y224 VanDerWaalsContact O-CD2 3.31Å; L220-Y224 WeakPolarHBondContact O-CD2 3.31Å; L220-Y224 PolarHBondContact O-N 3.02Å; L220-Y224 VanDerWaalsContact O-N 3.1Å; Y221-Y224 PolarHBondContact O-N 3.16Å; Y224-D226 PolarHBondContact O-N 2.81Å; Y224-M229 HydrophobicContact CD1-CG 4.26Å; Y224-M229 HydrophobicContact CG-CG 4.13Å; Y224-I233 HydrophobicContact CD2-CD1 3.63Å; Y224-I233 HydrophobicContact CE1-CD1 4.29Å; Y224-I233 HydrophobicContact CE2-CD1 3.19Å; Y224-I233 HydrophobicContact CG-CD1 4.37Å
225E95Very high96.1Very high169 Ų16972.2 Ų72.279%0.7935%0.347SS*.SBendtrans53.415.1-173.6-59.3-173.516400114.4Y221Y221-E225 WeakPolarHBondContact O-CA 3.46Å; Y221-E225 PolarHBondContact O-N 2.9Å
226D94.9Very high96Very high76 Ų7670.2 Ų70.241%0.40634%0.335SS..  trans-135.6115.8-177.9179.30.2000110.4Y224 I228 M229 A230Y224-D226 PolarHBondContact O-N 2.81Å; D226-I228 VanDerWaalsContact C-N 3.33Å; D226-I228 PolarHBondContact O-N 3.03Å; D226-I228 WeakPolarHBondContact OD1-CB 3.48Å; D226-I228 PolarHBondContact OD1-N 3.31Å; D226-M229 HydrophobicContact CB-CB 3.85Å; D226-M229 PolarHBondContact O-N 3.41Å; D226-M229 PolarHBondContact OD1-N 3.23Å; D226-A230 PolarHBondContact O-N 2.98Å
227I94.6Very high96Very high84 Ų8470.1 Ų70.143%0.43133%0.334SS..Hα-helixtrans-66.5-33.8179.7-169.663.9000112.3Y221 M229 A230 I231Y221-I227 HydrophobicContact CD2-CB 4.12Å; Y221-I227 HydrophobicContact CE2-CB 4.48Å; I227-M229 VanDerWaalsContact C-N 3.3Å; I227-A230 PolarHBondContact O-N 2.95Å; I227-I231 HydrophobicContact CG1-CD1 4.21Å; I227-I231 VanDerWaalsContact O-CG1 3.31Å; I227-I231 WeakPolarHBondContact O-CG1 3.33Å; I227-I231 PolarHBondContact O-N 3.19Å
228I96Very high96Very high95 Ų9571.9 Ų71.949%0.48734%0.344SS..Hα-helixtrans-68.2-38.7177.8-58.7-59000109.3D226 I231 K232D226-I228 VanDerWaalsContact C-N 3.33Å; D226-I228 PolarHBondContact O-N 3.03Å; D226-I228 WeakPolarHBondContact OD1-CB 3.48Å; D226-I228 PolarHBondContact OD1-N 3.31Å; I228-I231 PolarHBondContact O-N 3.27Å; I228-K232 HydrophobicContact CG2-CD 4.31Å; I228-K232 WeakPolarHBondContact O-CB 3.2Å; I228-K232 VanDerWaalsContact O-CG 3.29Å; I228-K232 WeakPolarHBondContact O-CG 3.49Å; I228-K232 PolarHBondContact O-N 2.96Å
229M95.3Very high96Very high74 Ų7471.8 Ų71.837%0.36534%0.343SS..Hα-helixtrans-65.7-43173.9-169.356.1178.100111.7Y224 D226 I227 I231 K232 I233Y224-M229 HydrophobicContact CD1-CG 4.26Å; Y224-M229 HydrophobicContact CG-CG 4.13Å; D226-M229 HydrophobicContact CB-CB 3.85Å; D226-M229 PolarHBondContact O-N 3.41Å; D226-M229 PolarHBondContact OD1-N 3.23Å; I227-M229 VanDerWaalsContact C-N 3.3Å; M229-I231 PolarHBondContact O-N 3.03Å; M229-K232 PolarHBondContact O-N 3.27Å; M229-I233 HydrophobicContact CE-CD1 4.09Å; M229-I233 HydrophobicContact CE-CG1 4.25Å; M229-I233 HydrophobicContact CG-CD1 4.16Å; M229-I233 WeakPolarHBondContact O-CG1 3.31Å; M229-I233 PolarHBondContact O-N 3.28Å
230A95.8Very high96.1Very high0 Ų069.8 Ų69.80%033%0.332CS..Hα-helixtrans-57.2-46.5175.100000112.3L220 D226 I227 I233 S234L220-A230 HydrophobicContact CB-CB 3.64Å; D226-A230 PolarHBondContact O-N 2.98Å; I227-A230 PolarHBondContact O-N 2.95Å; A230-I233 PolarHBondContact O-N 2.86Å; A230-S234 PolarHBondContact O-N 3.38Å
231I96.4Very high96.2Very high63 Ų6370.7 Ų70.732%0.32334%0.337SS..Hα-helixtrans-64.9-40177.1-67.6167.2000111.5I227 I228 M229 I233 S234 P235 I238I227-I231 HydrophobicContact CG1-CD1 4.21Å; I227-I231 VanDerWaalsContact O-CG1 3.31Å; I227-I231 WeakPolarHBondContact O-CG1 3.33Å; I227-I231 PolarHBondContact O-N 3.19Å; I228-I231 PolarHBondContact O-N 3.27Å; M229-I231 PolarHBondContact O-N 3.03Å; I231-I233 VanDerWaalsContact C-N 3.29Å; I231-I233 PolarHBondContact O-N 3.15Å; I231-S234 CarbonylContact O-C 3.56Å; I231-S234 VanDerWaalsContact O-C 3.29Å; I231-S234 PolarHBondContact O-N 3.28Å; I231-P235 VanDerWaalsContact O-CA 3.3Å; I231-P235 WeakPolarHBondContact O-CA 3.36Å; I231-P235 WeakPolarHBondContact O-CD 3.35Å; I231-I238 HydrophobicContact CG1-CD1 4.19Å; I231-I238 HydrophobicContact CG1-CG1 4.26Å; I231-I238 HydrophobicContact CG2-CG1 4.25Å
232K95.8Very high96.2Very high151 Ų15170.3 Ų70.366%0.65734%0.342SS*.Hα-helixtrans-63.1-35.7177.2-79.1174.4179175.50112.6I228 M229I228-K232 HydrophobicContact CG2-CD 4.31Å; I228-K232 WeakPolarHBondContact O-CB 3.2Å; I228-K232 VanDerWaalsContact O-CG 3.29Å; I228-K232 WeakPolarHBondContact O-CG 3.49Å; I228-K232 PolarHBondContact O-N 2.96Å; M229-K232 PolarHBondContact O-N 3.27Å
233I95.4Very high96.3Very high52 Ų5266.7 Ų66.727%0.26733%0.327SS..Hα-helixtrans-72.1-41.6177.5-68167.9000110.7L57 L220 Y224 M229 A230 I231 P235L57-I233 HydrophobicContact CD1-CG2 4.31Å; L220-I233 HydrophobicContact CD1-CB 4.44Å; L220-I233 HydrophobicContact CD1-CG2 4.18Å; L220-I233 HydrophobicContact CD2-CD1 4.29Å; L220-I233 HydrophobicContact CD2-CG2 3.95Å; Y224-I233 HydrophobicContact CD2-CD1 3.63Å; Y224-I233 HydrophobicContact CE1-CD1 4.29Å; Y224-I233 HydrophobicContact CE2-CD1 3.19Å; Y224-I233 HydrophobicContact CG-CD1 4.37Å; M229-I233 HydrophobicContact CE-CD1 4.09Å; M229-I233 HydrophobicContact CE-CG1 4.25Å; M229-I233 HydrophobicContact CG-CD1 4.16Å; M229-I233 WeakPolarHBondContact O-CG1 3.31Å; M229-I233 PolarHBondContact O-N 3.28Å; A230-I233 PolarHBondContact O-N 2.86Å; I231-I233 VanDerWaalsContact C-N 3.29Å; I231-I233 PolarHBondContact O-N 3.15Å; I233-P235 VanDerWaalsContact C-CD 3.48Å
234S96.3Very high96.4Very high0 Ų060 Ų600%030%0.298CS..  trans-129.165.3-174.8-154.10000113.3N216 A230 I231 A236 S237N216-S234 PolarHBondContact ND2-OG 3.4Å; A230-S234 PolarHBondContact O-N 3.38Å; I231-S234 CarbonylContact O-C 3.56Å; I231-S234 VanDerWaalsContact O-C 3.29Å; I231-S234 PolarHBondContact O-N 3.28Å; S234-A236 VanDerWaalsContact C-N 3.26Å; S234-A236 PolarHBondContact O-N 3.27Å; S234-S237 WeakPolarHBondContact CB-OG 3.33Å; S234-S237 WeakPolarHBondContact O-CB 3.43Å; S234-S237 PolarHBondContact O-N 3.03Å; S234-S237 PolarHBondContact O-OG 2.78Å; S234-S237 PolarHBondContact OG-OG 3.45Å
235P96.2Very high96.5Very high60 Ų6061.6 Ų61.639%0.3931%0.307SS..Hα-helixtrans-66.6-29.5-178.326.4-35000112.4F53 I231 I233 S237 I238 I239F53-P235 HydrophobicContact CE1-CG 4.22Å; I231-P235 VanDerWaalsContact O-CA 3.3Å; I231-P235 WeakPolarHBondContact O-CA 3.36Å; I231-P235 WeakPolarHBondContact O-CD 3.35Å; I233-P235 VanDerWaalsContact C-CD 3.48Å; P235-S237 VanDerWaalsContact C-N 3.29Å; P235-S237 PolarHBondContact O-N 3.49Å; P235-I238 WeakPolarHBondContact O-CB 3.02Å; P235-I238 PolarHBondContact O-N 3.49Å; P235-I239 PolarHBondContact O-N 2.94Å
236A96.1Very high96.5Very high2 Ų257.2 Ų57.22%0.01730%0.295CS..Hα-helixtrans-64.7-31.4178.500000113L49 F53 S234 I238 I239 D240L49-A236 HydrophobicContact CB-CB 4.17Å; L49-A236 HydrophobicContact CD2-CB 3.96Å; L49-A236 HydrophobicContact CG-CB 4.46Å; F53-A236 HydrophobicContact CB-CB 3.96Å; F53-A236 HydrophobicContact CD1-CB 3.84Å; F53-A236 HydrophobicContact CD2-CB 3.23Å; F53-A236 HydrophobicContact CE1-CB 4.09Å; F53-A236 HydrophobicContact CE2-CB 3.54Å; F53-A236 HydrophobicContact CG-CB 3.4Å; F53-A236 HydrophobicContact CZ-CB 3.96Å; S234-A236 VanDerWaalsContact C-N 3.26Å; S234-A236 PolarHBondContact O-N 3.27Å; A236-I238 PolarHBondContact O-N 3.49Å; A236-I239 WeakPolarHBondContact O-CA 3.35Å; A236-I239 WeakPolarHBondContact O-CB 3.46Å; A236-I239 PolarHBondContact O-N 3.29Å; A236-D240 PolarHBondContact O-N 2.99Å
237S97.3Very high96.5Very high0 Ų054.8 Ų54.80%029%0.286CS..Hα-helixtrans-59.3-36.3175.8-50.60000111.4D54 N216 S234 P235 I241D54-S237 WeakPolarHBondContact OD1-CB 3.27Å; D54-S237 PolarHBondContact OD1-OG 3.01Å; N216-S237 PolarHBondContact ND2-OG 2.82Å; S234-S237 WeakPolarHBondContact CB-OG 3.33Å; S234-S237 WeakPolarHBondContact O-CB 3.43Å; S234-S237 PolarHBondContact O-N 3.03Å; S234-S237 PolarHBondContact O-OG 2.78Å; S234-S237 PolarHBondContact OG-OG 3.45Å; P235-S237 VanDerWaalsContact C-N 3.29Å; P235-S237 PolarHBondContact O-N 3.49Å; S237-I241 WeakPolarHBondContact O-CB 3.42Å; S237-I241 WeakPolarHBondContact O-CD1 3.24Å; S237-I241 WeakPolarHBondContact O-CG1 3.16Å; S237-I241 PolarHBondContact O-N 3.2Å
238I97.5Very high96.3Very high58 Ų5853 Ų5330%0.29728%0.276SS..Hα-helixtrans-66.7-42.8175-60.7-67.4000110.7L217 I231 P235 A236 I241 L242L217-I238 HydrophobicContact CD1-CD1 3.48Å; L217-I238 VanDerWaalsContact CD1-CD1 3.48Å; L217-I238 HydrophobicContact CD1-CG1 4.35Å; L217-I238 HydrophobicContact CD2-CD1 4.45Å; I231-I238 HydrophobicContact CG1-CD1 4.19Å; I231-I238 HydrophobicContact CG1-CG1 4.26Å; I231-I238 HydrophobicContact CG2-CG1 4.25Å; P235-I238 WeakPolarHBondContact O-CB 3.02Å; P235-I238 PolarHBondContact O-N 3.49Å; A236-I238 PolarHBondContact O-N 3.49Å; I238-I241 PolarHBondContact O-N 3.03Å; I238-L242 HydrophobicContact CG2-CD1 4.12Å; I238-L242 HydrophobicContact CG2-CG 4.45Å; I238-L242 VanDerWaalsContact O-CG 3.27Å; I238-L242 WeakPolarHBondContact O-CG 3.49Å; I238-L242 PolarHBondContact O-N 3.02Å
239I97.7Very high96.1Very high84 Ų8458.8 Ų58.843%0.43129%0.292SS..Hα-helixtrans-61.3-48.4177.4-62.4173000110.1L49 P235 A236 I241 L242 I243L49-I239 HydrophobicContact CD1-CB 4.5Å; L49-I239 HydrophobicContact CD1-CG2 4Å; P235-I239 PolarHBondContact O-N 2.94Å; A236-I239 WeakPolarHBondContact O-CA 3.35Å; A236-I239 WeakPolarHBondContact O-CB 3.46Å; A236-I239 PolarHBondContact O-N 3.29Å; I239-I241 PolarHBondContact O-N 3.12Å; I239-L242 PolarHBondContact O-N 2.98Å; I239-I243 HydrophobicContact CG2-CD1 3.69Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å; I239-I243 WeakPolarHBondContact O-CG1 3.33Å; I239-I243 PolarHBondContact O-N 3.26Å
240D98.1Very high96.1Very high0 Ų059.7 Ų59.70%030%0.301CS..Hα-helixtrans-62.9-42.5178.8-74.5-23.7000111.4L49 F50 I209 A236 L242 I243 T244L49-D240 WeakPolarHBondContact CB-OD2 3.42Å; F50-D240 PolarHBondContact N-OD2 2.92Å; F50-D240 VanDerWaalsContact N-OD2 3.09Å; I209-D240 HydrophobicContact CG2-CB 4.04Å; A236-D240 PolarHBondContact O-N 2.99Å; D240-L242 PolarHBondContact O-N 2.97Å; D240-I243 PolarHBondContact O-N 3.41Å; D240-T244 VanDerWaalsContact O-CB 3.25Å; D240-T244 WeakPolarHBondContact O-CB 2.94Å; D240-T244 VanDerWaalsContact O-CG2 3.24Å; D240-T244 WeakPolarHBondContact O-CG2 3.33Å; D240-T244 PolarHBondContact O-N 3.38Å; D240-T244 PolarHBondContact O-OG1 2.86Å
241I98.2Very high96.1Very high31 Ų3160.4 Ų60.416%0.15931%0.306CS..Hα-helixtrans-58.1-48.5174.2-72.9164.1000111L210 I214 L217 S237 I238 I239 I243 T244 F245L210-I241 HydrophobicContact CD1-CB 4.31Å; L210-I241 HydrophobicContact CD1-CG1 4.24Å; L210-I241 HydrophobicContact CD1-CG2 3.97Å; I214-I241 HydrophobicContact CG1-CD1 3.85Å; I214-I241 HydrophobicContact CG1-CG1 4.09Å; L217-I241 HydrophobicContact CD1-CD1 3.44Å; L217-I241 VanDerWaalsContact CD1-CD1 3.44Å; L217-I241 HydrophobicContact CG-CD1 4.49Å; S237-I241 WeakPolarHBondContact O-CB 3.42Å; S237-I241 WeakPolarHBondContact O-CD1 3.24Å; S237-I241 WeakPolarHBondContact O-CG1 3.16Å; S237-I241 PolarHBondContact O-N 3.2Å; I238-I241 PolarHBondContact O-N 3.03Å; I239-I241 PolarHBondContact O-N 3.12Å; I241-I243 PolarHBondContact O-N 2.55Å; I241-T244 PolarHBondContact O-OG1 2.77Å; I241-F245 WeakPolarHBondContact O-CB 3.49Å; I241-F245 PolarHBondContact O-N 3.22Å
242L97.7Very high96Very high109 Ų10961.8 Ų61.857%0.57131%0.309SS*.Hα-helixtrans-63.8-42.8-178.2-70.3174000112.3I238 I239 D240 S246I238-L242 HydrophobicContact CG2-CD1 4.12Å; I238-L242 HydrophobicContact CG2-CG 4.45Å; I238-L242 VanDerWaalsContact O-CG 3.27Å; I238-L242 WeakPolarHBondContact O-CG 3.49Å; I238-L242 PolarHBondContact O-N 3.02Å; I239-L242 PolarHBondContact O-N 2.98Å; D240-L242 PolarHBondContact O-N 2.97Å; L242-S246 WeakPolarHBondContact O-CB 3.43Å; L242-S246 PolarHBondContact O-N 3.04Å; L242-S246 PolarHBondContact O-OG 3.01Å
243I97.5Very high96Very high53 Ų5356.8 Ų56.827%0.27230%0.301SS..Hα-helixtrans-68.8-49.7179-66.3170.5000110.4L42 V46 I239 D240 I241 S246 A247L42-I243 HydrophobicContact CD1-CD1 4.3Å; L42-I243 HydrophobicContact CD1-CG2 4.17Å; V46-I243 HydrophobicContact CG2-CB 4.31Å; V46-I243 HydrophobicContact CG2-CD1 3.96Å; V46-I243 HydrophobicContact CG2-CG2 3.71Å; I239-I243 HydrophobicContact CG2-CD1 3.69Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å; I239-I243 WeakPolarHBondContact O-CG1 3.33Å; I239-I243 PolarHBondContact O-N 3.26Å; D240-I243 PolarHBondContact O-N 3.41Å; I241-I243 PolarHBondContact O-N 2.55Å; I243-S246 PolarHBondContact O-N 2.83Å; I243-A247 VanDerWaalsContact O-CB 3.3Å; I243-A247 WeakPolarHBondContact O-CB 3.41Å; I243-A247 PolarHBondContact O-N 2.92Å
244T97.8Very high96.1Very high2 Ų257.4 Ų57.41%0.01231%0.305CS..Hα-helixtrans-68.3-37.5-176.955.60000112.4V46 I209 D240 I241 A247 M248V46-T244 HydrophobicContact CG1-CG2 4.18Å; I209-T244 HydrophobicContact CB-CG2 3.96Å; I209-T244 HydrophobicContact CG2-CG2 3.71Å; D240-T244 VanDerWaalsContact O-CB 3.25Å; D240-T244 WeakPolarHBondContact O-CB 2.94Å; D240-T244 VanDerWaalsContact O-CG2 3.24Å; D240-T244 WeakPolarHBondContact O-CG2 3.33Å; D240-T244 PolarHBondContact O-N 3.38Å; D240-T244 PolarHBondContact O-OG1 2.86Å; I241-T244 PolarHBondContact O-OG1 2.77Å; T244-A247 PolarHBondContact O-N 2.85Å; T244-M248 WeakPolarHBondContact O-CB 3.46Å; T244-M248 PolarHBondContact O-N 3.43Å
245F96.4Very high96.2Very high131 Ų13157.8 Ų57.858%0.57531%0.307SS*.Hα-helixtrans-61.5-45.1174-178.1-100.5000111.6L210 I241 M248L210-F245 HydrophobicContact CD1-CB 4.37Å; I241-F245 WeakPolarHBondContact O-CB 3.49Å; I241-F245 PolarHBondContact O-N 3.22Å; F245-M248 HydrophobicContact CD2-CE 4.19Å; F245-M248 HydrophobicContact CE2-CE 4.45Å; F245-M248 WeakPolarHBondContact O-CB 3.33Å; F245-M248 PolarHBondContact O-N 3.4Å
246S95.3Very high96.3Very high77 Ų7757 Ų5754%0.53831%0.31SS..Hα-helixtrans-67.7-41.2178.1-58.80000112.1L242 I243 M248L242-S246 WeakPolarHBondContact O-CB 3.43Å; L242-S246 PolarHBondContact O-N 3.04Å; L242-S246 PolarHBondContact O-OG 3.01Å; I243-S246 PolarHBondContact O-N 2.83Å; S246-M248 VanDerWaalsContact C-N 3.33Å
247A94.9Very high96.4Very high25 Ų2560.7 Ų60.721%0.20732%0.324CS..Hα-helixtrans-66.9-33.9174.600000112I243 T244 W249 T250 V251I243-A247 VanDerWaalsContact O-CB 3.3Å; I243-A247 WeakPolarHBondContact O-CB 3.41Å; I243-A247 PolarHBondContact O-N 2.92Å; T244-A247 PolarHBondContact O-N 2.85Å; A247-W249 PolarHBondContact O-N 3.16Å; A247-T250 PolarHBondContact O-N 3.26Å; A247-T250 PolarHBondContact O-OG1 3.33Å; A247-V251 WeakPolarHBondContact O-CB 3.21Å; A247-V251 VanDerWaalsContact O-CG2 3.31Å; A247-V251 WeakPolarHBondContact O-CG2 3.4Å; A247-V251 PolarHBondContact O-N 3.46Å
248M91.3Very high96.4Very high45 Ų4560.8 Ų60.822%0.22233%0.325CS..Hα-helixtrans-59.5-47.4-178.1-173.4175.565.500111.1L207 L210 T244 F245 S246 T250 F252L207-M248 HydrophobicContact CD1-SD 4.23Å; L210-M248 HydrophobicContact CD2-CE 3.93Å; L210-M248 HydrophobicContact CD2-SD 3.83Å; T244-M248 WeakPolarHBondContact O-CB 3.46Å; T244-M248 PolarHBondContact O-N 3.43Å; F245-M248 HydrophobicContact CD2-CE 4.19Å; F245-M248 HydrophobicContact CE2-CE 4.45Å; F245-M248 WeakPolarHBondContact O-CB 3.33Å; F245-M248 PolarHBondContact O-N 3.4Å; S246-M248 VanDerWaalsContact C-N 3.33Å; M248-T250 VanDerWaalsContact C-N 3.29Å; M248-T250 PolarHBondContact O-N 3.07Å; M248-F252 HydrophobicContact CG-CD2 3.5Å; M248-F252 VanDerWaalsContact CG-CD2 3.5Å; M248-F252 HydrophobicContact CG-CE2 3.81Å; M248-F252 HydrophobicContact CG-CG 4.43Å; M248-F252 VanDerWaalsContact O-CB 3.23Å; M248-F252 WeakPolarHBondContact O-CB 3.5Å; M248-F252 PolarHBondContact O-N 2.68Å; M248-F252 HydrophobicContact SD-CE2 4.47Å
249W92.1Very high96.4Very high218 Ų21860.1 Ų60.183%0.82632%0.323SS*.Hα-helixtrans-61.5-38.6-179.5-163.9-109.3000112.7A247 G253A247-W249 PolarHBondContact O-N 3.16Å; W249-G253 PolarHBondContact O-N 3.44Å
250T94Very high96.4Very high92 Ų9258.6 Ų58.656%0.56432%0.32SS*.Hα-helixtrans-75.4-47.6-179.158.90000112A247 M248 L254A247-T250 PolarHBondContact O-N 3.26Å; A247-T250 PolarHBondContact O-OG1 3.33Å; M248-T250 VanDerWaalsContact C-N 3.29Å; M248-T250 PolarHBondContact O-N 3.07Å; T250-L254 VanDerWaalsContact O-CB 3.26Å; T250-L254 WeakPolarHBondContact O-CB 3.46Å; T250-L254 PolarHBondContact O-N 2.81Å
251V95.9Very high96.4Very high16 Ų1658.6 Ų58.610%0.09732%0.32CS..Hα-helixtrans-77.5-36.1-174.8-170.90000111.9I199 L202 S203 A247 S255I199-V251 HydrophobicContact CB-CG1 4.36Å; I199-V251 WeakPolarHBondContact O-CG1 3.43Å; L202-V251 HydrophobicContact CB-CG1 4.21Å; L202-V251 HydrophobicContact CD2-CG1 4.02Å; L202-V251 HydrophobicContact CD2-CG2 3.9Å; L202-V251 HydrophobicContact CG-CG1 4.13Å; L202-V251 HydrophobicContact CG-CG2 4.42Å; S203-V251 VanDerWaalsContact OG-CG1 3.3Å; S203-V251 WeakPolarHBondContact OG-CG1 3.43Å; S203-V251 PolarHBondContact OG-O 2.75Å; A247-V251 WeakPolarHBondContact O-CB 3.21Å; A247-V251 VanDerWaalsContact O-CG2 3.31Å; A247-V251 WeakPolarHBondContact O-CG2 3.4Å; A247-V251 PolarHBondContact O-N 3.46Å; V251-S255 VanDerWaalsContact O-CB 3.27Å; V251-S255 WeakPolarHBondContact O-CB 3.39Å; V251-S255 PolarHBondContact O-N 3.21Å; V251-S255 PolarHBondContact O-OG 3.21Å
252F94.9Very high96.4Very high91 Ų9157.1 Ų57.140%0.39931%0.313SS..Hα-helixtrans-67-43.7171.8-93.1-96.8000111.7S203 L207 M248 L254 S255 G256S203-F252 WeakPolarHBondContact O-CE2 3.45Å; L207-F252 HydrophobicContact CB-CE2 4.38Å; L207-F252 HydrophobicContact CD2-CZ 4.3Å; M248-F252 HydrophobicContact CG-CD2 3.5Å; M248-F252 VanDerWaalsContact CG-CD2 3.5Å; M248-F252 HydrophobicContact CG-CE2 3.81Å; M248-F252 HydrophobicContact CG-CG 4.43Å; M248-F252 VanDerWaalsContact O-CB 3.23Å; M248-F252 WeakPolarHBondContact O-CB 3.5Å; M248-F252 PolarHBondContact O-N 2.68Å; M248-F252 HydrophobicContact SD-CE2 4.47Å; F252-L254 VanDerWaalsContact C-N 3.33Å; F252-L254 PolarHBondContact O-N 2.97Å; F252-S255 PolarHBondContact O-N 2.88Å; F252-G256 PolarHBondContact O-N 3.17Å
253G96.1Very high96.4Very high46 Ų4653.5 Ų53.547%0.47430%0.296SS..Hα-helixtrans-58.6-46.2176.300000111.7W249 G256 Y257W249-G253 PolarHBondContact O-N 3.44Å; G253-G256 PolarHBondContact O-N 3.22Å; G253-Y257 WeakPolarHBondContact O-CB 3.44Å; G253-Y257 PolarHBondContact O-N 3.02Å
254L97.3Very high96.3Very high66 Ų6654.9 Ų54.935%0.34630%0.298SS..Hα-helixtrans-61.9-44.3175.3-173.764.1000111.9F195 I199 T250 F252 G256 Y257 H258F195-L254 HydrophobicContact CZ-CD2 4.15Å; I199-L254 HydrophobicContact CD1-CG 4.48Å; I199-L254 HydrophobicContact CG2-CD2 4.04Å; T250-L254 VanDerWaalsContact O-CB 3.26Å; T250-L254 WeakPolarHBondContact O-CB 3.46Å; T250-L254 PolarHBondContact O-N 2.81Å; F252-L254 VanDerWaalsContact C-N 3.33Å; F252-L254 PolarHBondContact O-N 2.97Å; L254-G256 PolarHBondContact O-N 3.31Å; L254-Y257 PolarHBondContact O-N 3.41Å; L254-H258 WeakPolarHBondContact CD1-CD2 3.34Å; L254-H258 WeakPolarHBondContact CD1-NE2 3.37Å; L254-H258 PolarHBondContact O-CD2 3.4Å; L254-H258 VanDerWaalsContact O-CD2 3.3Å; L254-H258 PolarHBondContact O-N 2.94Å
255S97.9Very high96.2Very high8 Ų854.9 Ų54.96%0.05630%0.298CS..Hα-helixtrans-60-44.9176.2-65.10000111.8I199 S203 V251 F252 T259I199-S255 PolarHBondContact O-OG 3.01Å; S203-S255 PolarHBondContact OG-OG 3.44Å; S203-S255 VanDerWaalsContact OG-OG 3.04Å; V251-S255 VanDerWaalsContact O-CB 3.27Å; V251-S255 WeakPolarHBondContact O-CB 3.39Å; V251-S255 PolarHBondContact O-N 3.21Å; V251-S255 PolarHBondContact O-OG 3.21Å; F252-S255 PolarHBondContact O-N 2.88Å; S255-T259 WeakPolarHBondContact O-CB 3.41Å; S255-T259 PolarHBondContact O-N 3.4Å; S255-T259 PolarHBondContact O-OG1 3.02Å
256G97.7Very high96.2Very high44 Ų4449.2 Ų49.245%0.45427%0.274SS..Hα-helixtrans-62.8-45175.900000112.5F252 G253 L254 T259 S260F252-G256 PolarHBondContact O-N 3.17Å; G253-G256 PolarHBondContact O-N 3.22Å; L254-G256 PolarHBondContact O-N 3.31Å; G256-T259 WeakPolarHBondContact O-CB 3.41Å; G256-T259 PolarHBondContact O-N 3.14Å; G256-S260 PolarHBondContact O-N 3.02Å
257Y98.2Very high96.3Very high78 Ų7845.7 Ų45.731%0.30625%0.249SC..Hα-helixtrans-61-50.8177.4179.5-114000112G253 L254 T259 S260 L261 T268 D271G253-Y257 WeakPolarHBondContact O-CB 3.44Å; G253-Y257 PolarHBondContact O-N 3.02Å; L254-Y257 PolarHBondContact O-N 3.41Å; Y257-T259 VanDerWaalsContact C-N 3.31Å; Y257-T259 PolarHBondContact O-N 3.34Å; Y257-S260 WeakPolarHBondContact O-CB 3.48Å; Y257-S260 PolarHBondContact O-N 3.06Å; Y257-S260 VanDerWaalsContact O-N 3.13Å; Y257-L261 HydrophobicContact CD1-CD1 3.94Å; Y257-L261 HydrophobicContact CD1-CG 4.49Å; Y257-L261 HydrophobicContact CE1-CD1 3.42Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.42Å; Y257-L261 HydrophobicContact CE1-CG 4.12Å; Y257-L261 HydrophobicContact CE2-CD1 4.46Å; Y257-L261 HydrophobicContact CE2-CD2 4.36Å; Y257-L261 HydrophobicContact CE2-CG 4.31Å; Y257-L261 PolarHBondContact O-N 3.13Å; Y257-T268 HydrophobicContact CE1-CG2 3.99Å; Y257-D271 PolarHBondContact OH-OD2 3.48Å
258H98.2Very high96.4Very high3 Ų345.2 Ų45.21%0.01424%0.243CC..Hα-helixtrans-65.7-32.8178.2-82.1-78.4000113D177 Y192 F195 I196 I199 L254 S260 L261 M262 T268D177-H258 IonicContact OD2-CE1 3.43Å; D177-H258 PolarHBondContact OD2-CE1 3.17Å; Y192-H258 AromaticContact CE2-ND1 3.69Å; Y192-H258 AromaticContact CZ-ND1 3.65Å; Y192-H258 PolarHBondContact OH-ND1 3.12Å; F195-H258 AromaticContact CE1-CD2 3.81Å; F195-H258 AromaticContact CE1-CE1 3.61Å; F195-H258 AromaticContact CE1-ND1 3.97Å; F195-H258 AromaticContact CE1-NE2 3.49Å; F195-H258 WeakPolarHBondContact CE1-NE2 3.3Å; F195-H258 AromaticContact CZ-NE2 3.88Å; I196-H258 HydrophobicContact CD1-CB 3.58Å; I199-H258 HydrophobicContact CD1-CB 4.03Å; L254-H258 WeakPolarHBondContact CD1-CD2 3.34Å; L254-H258 WeakPolarHBondContact CD1-NE2 3.37Å; L254-H258 PolarHBondContact O-CD2 3.4Å; L254-H258 VanDerWaalsContact O-CD2 3.3Å; L254-H258 PolarHBondContact O-N 2.94Å; H258-S260 VanDerWaalsContact C-N 3.32Å; H258-S260 PolarHBondContact O-N 3Å; H258-L261 PolarHBondContact O-N 3.33Å; H258-M262 WeakPolarHBondContact O-CB 3.44Å; H258-M262 WeakPolarHBondContact O-CG 3.5Å; H258-M262 PolarHBondContact O-N 3.48Å; H258-T268 PolarHBondContact CE1-OG1 3.42Å; H258-T268 VanDerWaalsContact CE1-OG1 3.28Å
259T98.2Very high96.7Very high43 Ų4344.9 Ų44.926%0.26424%0.241SC..Hα-helixtrans-59.8-44.8172.1-56.40000110.7Y200 S255 G256 Y257 M262 C263 Y297Y200-T259 PolarHBondContact OH-OG1 2.78Å; S255-T259 WeakPolarHBondContact O-CB 3.41Å; S255-T259 PolarHBondContact O-N 3.4Å; S255-T259 PolarHBondContact O-OG1 3.02Å; G256-T259 WeakPolarHBondContact O-CB 3.41Å; G256-T259 PolarHBondContact O-N 3.14Å; Y257-T259 VanDerWaalsContact C-N 3.31Å; Y257-T259 PolarHBondContact O-N 3.34Å; T259-M262 PolarHBondContact O-N 2.97Å; T259-C263 PolarHBondContact O-N 2.88Å; T259-C263 PolarHBondContact O-SG 3.13Å; T259-C263 VanDerWaalsContact O-SG 3.32Å; T259-Y297 HydrophobicContact CG2-CD2 4.27Å; T259-Y297 HydrophobicContact CG2-CE2 4.11Å
260S97.7Very high96.8Very high53 Ų5335.2 Ų35.237%0.37121%0.205SC..Hα-helixtrans-61.7-44.4175.2-179.10000112.3G256 Y257 H258 M262 C263 R264G256-S260 PolarHBondContact O-N 3.02Å; Y257-S260 WeakPolarHBondContact O-CB 3.48Å; Y257-S260 PolarHBondContact O-N 3.06Å; Y257-S260 VanDerWaalsContact O-N 3.13Å; H258-S260 VanDerWaalsContact C-N 3.32Å; H258-S260 PolarHBondContact O-N 3Å; S260-M262 PolarHBondContact O-N 3.34Å; S260-C263 PolarHBondContact O-N 3.35Å; S260-R264 WeakPolarHBondContact O-CB 3.23Å; S260-R264 WeakPolarHBondContact O-CD 3.37Å; S260-R264 VanDerWaalsContact O-CG 3.3Å; S260-R264 WeakPolarHBondContact O-CG 3.36Å; S260-R264 PolarHBondContact O-N 3.3Å
261L97.9Very high97Very high0 Ų032.4 Ų32.40%019%0.187CC..Hα-helixtrans-60.3-43.8176-70179.8000112.4Y257 H258 R264 G265 F266 T268 D271Y257-L261 HydrophobicContact CD1-CD1 3.94Å; Y257-L261 HydrophobicContact CD1-CG 4.49Å; Y257-L261 HydrophobicContact CE1-CD1 3.42Å; Y257-L261 VanDerWaalsContact CE1-CD1 3.42Å; Y257-L261 HydrophobicContact CE1-CG 4.12Å; Y257-L261 HydrophobicContact CE2-CD1 4.46Å; Y257-L261 HydrophobicContact CE2-CD2 4.36Å; Y257-L261 HydrophobicContact CE2-CG 4.31Å; Y257-L261 PolarHBondContact O-N 3.13Å; H258-L261 PolarHBondContact O-N 3.33Å; L261-R264 CarbonylContact O-C 3.29Å; L261-R264 PolarHBondContact O-N 3.02Å; L261-G265 PolarHBondContact O-N 3.28Å; L261-F266 HydrophobicContact CD2-CB 4.21Å; L261-F266 PolarHBondContact O-N 3.29Å; L261-T268 WeakPolarHBondContact CD1-OG1 3.46Å; L261-D271 HydrophobicContact CD2-CB 3.67Å
262M97.5Very high97Very high0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-59.9-51.2176.1-71.6164.866.900111Y192 I196 H258 T259 S260 R264 G265 N296 Y297 T300 L301Y192-M262 HydrophobicContact CE1-CG 3.93Å; Y192-M262 HydrophobicContact CE1-SD 4.49Å; I196-M262 HydrophobicContact CB-SD 4.39Å; I196-M262 HydrophobicContact CD1-SD 3.78Å; I196-M262 HydrophobicContact CG1-SD 3.74Å; I196-M262 HydrophobicContact CG2-CE 4.06Å; I196-M262 HydrophobicContact CG2-SD 3.77Å; H258-M262 WeakPolarHBondContact O-CB 3.44Å; H258-M262 WeakPolarHBondContact O-CG 3.5Å; H258-M262 PolarHBondContact O-N 3.48Å; T259-M262 PolarHBondContact O-N 2.97Å; S260-M262 PolarHBondContact O-N 3.34Å; M262-R264 PolarHBondContact O-N 3Å; M262-G265 PolarHBondContact O-N 3.41Å; M262-G265 VanDerWaalsContact O-N 3.11Å; M262-N296 WeakPolarHBondContact O-CB 3.5Å; M262-Y297 HydrophobicContact CB-CD2 4.34Å; M262-Y297 HydrophobicContact CE-CD2 3.54Å; M262-Y297 HydrophobicContact CE-CE2 3.72Å; M262-Y297 HydrophobicContact CE-CG 4.23Å; M262-Y297 HydrophobicContact SD-CD2 4.37Å; M262-Y297 HydrophobicContact SD-CE2 4.48Å; M262-T300 HydrophobicContact CE-CG2 3.91Å; M262-T300 HydrophobicContact CG-CG2 4.02Å; M262-T300 HydrophobicContact SD-CG2 4.45Å; M262-L301 HydrophobicContact CE-CD1 4.2Å; M262-L301 HydrophobicContact CE-CD2 3.88Å; M262-L301 HydrophobicContact CE-CG 3.7Å
263C97.5Very high97Very high32 Ų3240.9 Ų40.922%0.21622%0.221CC..Hα-helixtrans-56.9-38.6177.4-72.30000112.2T259 S260 M293 N296T259-C263 PolarHBondContact O-N 2.88Å; T259-C263 PolarHBondContact O-SG 3.13Å; T259-C263 VanDerWaalsContact O-SG 3.32Å; S260-C263 PolarHBondContact O-N 3.35Å; C263-M293 HydrophobicContact CB-CB 4.1Å; C263-M293 WeakPolarHBondContact O-CA 3.45Å; C263-N296 PolarHBondContact O-ND2 3.33Å
264R95.7Very high96.9Very high82 Ų8243.1 Ų43.131%0.30922%0.219SC..Hα-helixtrans-84.2-11.7-179.4-6616559.7-148.1-6114S260 L261 M262 F266 D271 P276 N286S260-R264 WeakPolarHBondContact O-CB 3.23Å; S260-R264 WeakPolarHBondContact O-CD 3.37Å; S260-R264 VanDerWaalsContact O-CG 3.3Å; S260-R264 WeakPolarHBondContact O-CG 3.36Å; S260-R264 PolarHBondContact O-N 3.3Å; L261-R264 CarbonylContact O-C 3.29Å; L261-R264 PolarHBondContact O-N 3.02Å; M262-R264 PolarHBondContact O-N 3Å; R264-F266 HydrophobicContact CB-CD2 3.62Å; R264-F266 HydrophobicContact CB-CE2 4.04Å; R264-D271 IonicContact CZ-OD1 2.72Å; R264-D271 IonicContact NH1-OD1 2.69Å; R264-D271 PolarHBondContact NH1-OD1 3.44Å; R264-D271 IonicContact NH2-OD1 3.39Å; R264-D271 PolarHBondContact NH2-OD1 2.93Å; R264-P276 VanDerWaalsContact NH2-CB 3.35Å; R264-N286 PolarHBondContact O-ND2 2.97Å
265G95.6Very high96.7Very high3 Ų341.4 Ų41.43%0.03121%0.209CC..THydrogen-bonded Turntrans76.322.1-17900000115.1R162 L261 M262 N286R162-G265 PolarHBondContact NH2-O 2.79Å; L261-G265 PolarHBondContact O-N 3.28Å; M262-G265 PolarHBondContact O-N 3.41Å; M262-G265 VanDerWaalsContact O-N 3.11Å; G265-N286 PolarHBondContact O-ND2 3.34Å
266F96.3Very high96.4Very high12 Ų1241.8 Ų41.85%0.05321%0.212CC..  trans-106.9160.2-179.7-64.6-63.6000112.1L261 R264 E270 F275 P276 N286L261-F266 HydrophobicContact CD2-CB 4.21Å; L261-F266 PolarHBondContact O-N 3.29Å; R264-F266 HydrophobicContact CB-CD2 3.62Å; R264-F266 HydrophobicContact CB-CE2 4.04Å; F266-E270 HydrophobicContact CD1-CB 4.46Å; F266-F275 AromaticContact CD1-CD1 3.96Å; F266-F275 HydrophobicContact CD1-CD1 3.96Å; F266-F275 HydrophobicContact CD1-CE1 4.37Å; F266-F275 AromaticContact CE1-CD1 3.59Å; F266-F275 HydrophobicContact CE1-CD1 3.59Å; F266-F275 AromaticContact CE1-CE1 3.79Å; F266-F275 HydrophobicContact CE1-CE1 3.79Å; F266-P276 HydrophobicContact CD1-CG 3.97Å; F266-P276 HydrophobicContact CD2-CB 4.18Å; F266-P276 HydrophobicContact CD2-CG 3.65Å; F266-P276 HydrophobicContact CE1-CB 4.34Å; F266-P276 HydrophobicContact CE1-CG 3.91Å; F266-P276 HydrophobicContact CE2-CB 3.64Å; F266-P276 HydrophobicContact CE2-CG 3.6Å; F266-P276 HydrophobicContact CG-CG 3.85Å; F266-P276 HydrophobicContact CZ-CB 3.72Å; F266-P276 HydrophobicContact CZ-CG 3.73Å; F266-N286 HydrophobicContact CE1-CB 4.16Å; F266-N286 VanDerWaalsContact CE1-CG 3.44Å; F266-N286 VanDerWaalsContact CE1-ND2 3.31Å; F266-N286 WeakPolarHBondContact CE1-ND2 3.45Å; F266-N286 HydrophobicContact CE2-CB 4.45Å; F266-N286 HydrophobicContact CZ-CB 3.72Å; F266-N286 VanDerWaalsContact CZ-CG 3.48Å; F266-N286 WeakPolarHBondContact CZ-ND2 3.44Å
267S96.9Very high96.2Very high2 Ų247.2 Ų47.21%0.01422%0.219CC..  trans-95.3160.6162.258.80000110.4D177 H269 E270 D271D177-S267 VanDerWaalsContact OD1-CA 3.31Å; D177-S267 WeakPolarHBondContact OD1-CA 3.48Å; D177-S267 WeakPolarHBondContact OD1-CB 3.38Å; S267-H269 VanDerWaalsContact C-N 3.26Å; S267-H269 PolarHBondContact O-N 3.11Å; S267-E270 PolarHBondContact N-OE2 2.88Å; S267-E270 PolarHBondContact O-N 2.83Å; S267-E270 VanDerWaalsContact O-N 3.17Å; S267-E270 WeakPolarHBondContact OG-CB 3.4Å; S267-E270 WeakPolarHBondContact OG-CG 3.47Å; S267-E270 PolarHBondContact OG-N 3.08Å; S267-E270 PolarHBondContact OG-OE2 3.45Å; S267-D271 PolarHBondContact O-N 2.98Å
268T97.3Very high95.9Very high16 Ų1647.7 Ų47.710%0.09823%0.225CC..Hα-helixtrans-54.5-45.2173.5-540000111D177 Y257 H258 L261 E270 D271 I272D177-T268 VanDerWaalsContact CG-OG1 3.32Å; D177-T268 PolarHBondContact OD1-N 3.09Å; D177-T268 PolarHBondContact OD1-OG1 3.32Å; D177-T268 WeakPolarHBondContact OD2-CB 3.3Å; D177-T268 PolarHBondContact OD2-OG1 2.93Å; Y257-T268 HydrophobicContact CE1-CG2 3.99Å; H258-T268 PolarHBondContact CE1-OG1 3.42Å; H258-T268 VanDerWaalsContact CE1-OG1 3.28Å; L261-T268 WeakPolarHBondContact CD1-OG1 3.46Å; T268-E270 VanDerWaalsContact C-N 3.32Å; T268-E270 PolarHBondContact O-N 3.49Å; T268-D271 PolarHBondContact O-N 3.4Å; T268-I272 HydrophobicContact CG2-CD1 3.66Å; T268-I272 HydrophobicContact CG2-CG1 4.31Å; T268-I272 WeakPolarHBondContact O-CB 3.4Å; T268-I272 WeakPolarHBondContact O-CG1 3.44Å; T268-I272 PolarHBondContact O-N 3.07Å
269H96.9Very high95.6Very high37 Ų3747.7 Ų47.717%0.17123%0.226CC..Hα-helixtrans-58.9-41.3178.3-177.5-97.9000112.9S164 F176 D177 S267 R273S164-H269 PolarHBondContact OG-CE1 2.93Å; F176-H269 HydrophobicContact CD1-CB 4.1Å; F176-H269 AromaticContact CD1-CD2 3.87Å; F176-H269 AromaticContact CD1-CG 3.93Å; F176-H269 AromaticContact CE1-CD2 3.93Å; F176-H269 WeakPolarHBondContact O-CB 3.36Å; D177-H269 WeakPolarHBondContact O-CB 3.46Å; D177-H269 PolarHBondContact O-N 3.05Å; S267-H269 VanDerWaalsContact C-N 3.26Å; S267-H269 PolarHBondContact O-N 3.11Å; H269-R273 VanDerWaalsContact CE1-CD 3.48Å; H269-R273 WeakPolarHBondContact CE1-CD 3.49Å; H269-R273 PolarHBondContact CE1-NE 3.16Å; H269-R273 PolarHBondContact NE2-NE 2.83Å; H269-R273 WeakPolarHBondContact O-CB 3.37Å; H269-R273 WeakPolarHBondContact O-CG 3.37Å; H269-R273 PolarHBondContact O-N 2.84Å
270E96.3Very high95.3Very high15 Ų1553.8 Ų53.87%0.0725%0.249CC..Hα-helixtrans-69.8-41.7178-72.3162.115800112.3R162 F266 S267 T268 R273 H274 F275 P276R162-E270 WeakPolarHBondContact CB-OE1 3.46Å; R162-E270 WeakPolarHBondContact CD-OE1 3.14Å; R162-E270 WeakPolarHBondContact CG-OE1 3.25Å; R162-E270 IonicContact CZ-OE1 3.07Å; R162-E270 IonicContact CZ-OE2 3.43Å; R162-E270 IonicContact NE-OE1 3.82Å; R162-E270 PolarHBondContact NE-OE1 2.85Å; R162-E270 IonicContact NE-OE2 3.03Å; R162-E270 PolarHBondContact NE-OE2 3.4Å; R162-E270 IonicContact NH2-OE1 3.3Å; R162-E270 IonicContact NH2-OE2 2.9Å; R162-E270 PolarHBondContact NH2-OE2 2.91Å; F266-E270 HydrophobicContact CD1-CB 4.46Å; S267-E270 PolarHBondContact N-OE2 2.88Å; S267-E270 PolarHBondContact O-N 2.83Å; S267-E270 VanDerWaalsContact O-N 3.17Å; S267-E270 WeakPolarHBondContact OG-CB 3.4Å; S267-E270 WeakPolarHBondContact OG-CG 3.47Å; S267-E270 PolarHBondContact OG-N 3.08Å; S267-E270 PolarHBondContact OG-OE2 3.45Å; T268-E270 VanDerWaalsContact C-N 3.32Å; T268-E270 PolarHBondContact O-N 3.49Å; E270-R273 CarbonylContact O-C 3.6Å; E270-R273 PolarHBondContact O-N 3.5Å; E270-H274 PolarHBondContact O-N 3.23Å; E270-F275 HydrophobicContact CB-CB 4.17Å; E270-F275 HydrophobicContact CB-CD1 4.31Å; E270-F275 HydrophobicContact CG-CD1 4.49Å; E270-F275 VanDerWaalsContact O-CB 3.3Å; E270-F275 WeakPolarHBondContact O-CB 3.49Å; E270-F275 PolarHBondContact O-N 3.48Å; E270-P276 WeakPolarHBondContact O-CD 3.26Å
271D96.4Very high95.1Very high33 Ų3359.2 Ų59.218%0.17627%0.268CS..Hα-helixtrans-65.9-45.1179.9-169.170.1000111.5Y257 L261 R264 S267 T268 R273 H274 P276Y257-D271 PolarHBondContact OH-OD2 3.48Å; L261-D271 HydrophobicContact CD2-CB 3.67Å; R264-D271 IonicContact CZ-OD1 2.72Å; R264-D271 IonicContact NH1-OD1 2.69Å; R264-D271 PolarHBondContact NH1-OD1 3.44Å; R264-D271 IonicContact NH2-OD1 3.39Å; R264-D271 PolarHBondContact NH2-OD1 2.93Å; S267-D271 PolarHBondContact O-N 2.98Å; T268-D271 PolarHBondContact O-N 3.4Å; D271-R273 VanDerWaalsContact C-N 3.32Å; D271-R273 PolarHBondContact O-N 2.98Å; D271-H274 WeakPolarHBondContact O-CA 3.46Å; D271-H274 PolarHBondContact O-N 2.9Å; D271-P276 HydrophobicContact CB-CG 4.49Å
272I96.3Very high94.7Very high113 Ų11361.7 Ų61.758%0.57929%0.288SS*.Hα-helixtrans-61.5-39.7175.5-68.9173.6000111.3T268 H274T268-I272 HydrophobicContact CG2-CD1 3.66Å; T268-I272 HydrophobicContact CG2-CG1 4.31Å; T268-I272 WeakPolarHBondContact O-CB 3.4Å; T268-I272 WeakPolarHBondContact O-CG1 3.44Å; T268-I272 PolarHBondContact O-N 3.07Å; I272-H274 PolarHBondContact O-CE1 3.38Å; I272-H274 PolarHBondContact O-N 3.49Å; I272-H274 VanDerWaalsContact O-N 3.14Å; I272-H274 PolarHBondContact O-ND1 2.79Å
273R94.4Very high94.4Very high172 Ų17264.9 Ų64.965%0.64932%0.321SS*.THydrogen-bonded Turntrans-78.714.9175.4-69.8-172.5179.9-110.50.3113.8H269 E270 D271 F275H269-R273 VanDerWaalsContact CE1-CD 3.48Å; H269-R273 WeakPolarHBondContact CE1-CD 3.49Å; H269-R273 PolarHBondContact CE1-NE 3.16Å; H269-R273 PolarHBondContact NE2-NE 2.83Å; H269-R273 WeakPolarHBondContact O-CB 3.37Å; H269-R273 WeakPolarHBondContact O-CG 3.37Å; H269-R273 PolarHBondContact O-N 2.84Å; E270-R273 CarbonylContact O-C 3.6Å; E270-R273 PolarHBondContact O-N 3.5Å; D271-R273 VanDerWaalsContact C-N 3.32Å; D271-R273 PolarHBondContact O-N 2.98Å; R273-F275 PolarHBondContact O-N 3.49Å
274H94.2Very high94Very high93 Ų9366.9 Ų66.943%0.43133%0.327SS..THydrogen-bonded Turntrans57.920.1175.3-53.7-36.2000114.4E270 D271 I272 P276 R277 I278E270-H274 PolarHBondContact O-N 3.23Å; D271-H274 WeakPolarHBondContact O-CA 3.46Å; D271-H274 PolarHBondContact O-N 2.9Å; I272-H274 PolarHBondContact O-CE1 3.38Å; I272-H274 PolarHBondContact O-N 3.49Å; I272-H274 VanDerWaalsContact O-N 3.14Å; I272-H274 PolarHBondContact O-ND1 2.79Å; H274-P276 VanDerWaalsContact C-CD 3.42Å; H274-P276 VanDerWaalsContact C-N 3.3Å; H274-R277 HydrophobicContact CB-CB 4.39Å; H274-R277 PolarHBondContact CE1-NH1 2.95Å; H274-R277 VanDerWaalsContact CE1-NH1 3.28Å; H274-R277 PolarHBondContact ND1-NH1 2.79Å; H274-R277 WeakPolarHBondContact O-CA 3.25Å; H274-R277 WeakPolarHBondContact O-CB 3.48Å; H274-R277 PolarHBondContact O-N 3.35Å; H274-I278 WeakPolarHBondContact O-CG1 3.39Å; H274-I278 PolarHBondContact O-N 2.91Å
275F93.1Very high93.7Very high30 Ų3071.9 Ų71.913%0.13235%0.351CS..Hα-helixtrans-54-42176.6179-111.4000112.5H145 F266 E270 R273 R277 I278 V279 P287 Y288H145-F275 AromaticContact CE1-CE2 3.73Å; H145-F275 AromaticContact NE2-CE2 3.97Å; F266-F275 AromaticContact CD1-CD1 3.96Å; F266-F275 HydrophobicContact CD1-CD1 3.96Å; F266-F275 HydrophobicContact CD1-CE1 4.37Å; F266-F275 AromaticContact CE1-CD1 3.59Å; F266-F275 HydrophobicContact CE1-CD1 3.59Å; F266-F275 AromaticContact CE1-CE1 3.79Å; F266-F275 HydrophobicContact CE1-CE1 3.79Å; E270-F275 HydrophobicContact CB-CB 4.17Å; E270-F275 HydrophobicContact CB-CD1 4.31Å; E270-F275 HydrophobicContact CG-CD1 4.49Å; E270-F275 VanDerWaalsContact O-CB 3.3Å; E270-F275 WeakPolarHBondContact O-CB 3.49Å; E270-F275 PolarHBondContact O-N 3.48Å; R273-F275 PolarHBondContact O-N 3.49Å; F275-R277 VanDerWaalsContact C-N 3.27Å; F275-R277 PolarHBondContact O-N 2.83Å; F275-I278 PolarHBondContact O-N 3.24Å; F275-V279 HydrophobicContact CD1-CG2 4.19Å; F275-V279 HydrophobicContact CD2-CG2 3.99Å; F275-V279 HydrophobicContact CE1-CG2 3.76Å; F275-V279 HydrophobicContact CE2-CG2 3.53Å; F275-V279 HydrophobicContact CG-CG2 4.3Å; F275-V279 HydrophobicContact CZ-CG2 3.39Å; F275-V279 VanDerWaalsContact O-CG2 3.31Å; F275-V279 WeakPolarHBondContact O-CG2 3.43Å; F275-V279 PolarHBondContact O-N 2.84Å; F275-P287 HydrophobicContact CZ-CG 4.46Å; F275-Y288 HydrophobicContact CE1-CD2 4.1Å; F275-Y288 AromaticContact CE1-CE2 3.73Å; F275-Y288 HydrophobicContact CE1-CE2 3.73Å; F275-Y288 AromaticContact CZ-CE2 3.86Å; F275-Y288 HydrophobicContact CZ-CE2 3.86Å
276P93Very high93.5Very high17 Ų1773 Ų7311%0.1136%0.356CS..Hα-helixtrans-59.8-34.7175.2-24.534.9000113.9R264 F266 E270 D271 H274 K280R264-P276 VanDerWaalsContact NH2-CB 3.35Å; F266-P276 HydrophobicContact CD1-CG 3.97Å; F266-P276 HydrophobicContact CD2-CB 4.18Å; F266-P276 HydrophobicContact CD2-CG 3.65Å; F266-P276 HydrophobicContact CE1-CB 4.34Å; F266-P276 HydrophobicContact CE1-CG 3.91Å; F266-P276 HydrophobicContact CE2-CB 3.64Å; F266-P276 HydrophobicContact CE2-CG 3.6Å; F266-P276 HydrophobicContact CG-CG 3.85Å; F266-P276 HydrophobicContact CZ-CB 3.72Å; F266-P276 HydrophobicContact CZ-CG 3.73Å; E270-P276 WeakPolarHBondContact O-CD 3.26Å; D271-P276 HydrophobicContact CB-CG 4.49Å; H274-P276 VanDerWaalsContact C-CD 3.42Å; H274-P276 VanDerWaalsContact C-N 3.3Å; P276-K280 WeakPolarHBondContact O-CB 3.43Å; P276-K280 PolarHBondContact O-N 2.9Å; P276-K280 VanDerWaalsContact O-N 3.15Å
277R93.3Very high93.3Very high158 Ų15874.4 Ų74.460%0.59637%0.367SS*.Hα-helixtrans-72.4-42.9178-63.3-179.1-177.2157.7-1.8110.7H274 F275 K280 Q281H274-R277 HydrophobicContact CB-CB 4.39Å; H274-R277 PolarHBondContact CE1-NH1 2.95Å; H274-R277 VanDerWaalsContact CE1-NH1 3.28Å; H274-R277 PolarHBondContact ND1-NH1 2.79Å; H274-R277 WeakPolarHBondContact O-CA 3.25Å; H274-R277 WeakPolarHBondContact O-CB 3.48Å; H274-R277 PolarHBondContact O-N 3.35Å; F275-R277 VanDerWaalsContact C-N 3.27Å; F275-R277 PolarHBondContact O-N 2.83Å; R277-K280 PolarHBondContact O-N 2.89Å; R277-Q281 WeakPolarHBondContact O-CB 3.38Å; R277-Q281 WeakPolarHBondContact O-CG 3.34Å; R277-Q281 PolarHBondContact O-N 2.76Å
278I92.1Very high93.1Very high87 Ų8776.6 Ų76.645%0.44638%0.375SS..Hα-helixtrans-59-49.9176.9-65.6167.3000110.3H274 F275 K280 Q281 A282H274-I278 WeakPolarHBondContact O-CG1 3.39Å; H274-I278 PolarHBondContact O-N 2.91Å; F275-I278 PolarHBondContact O-N 3.24Å; I278-K280 VanDerWaalsContact C-N 3.31Å; I278-K280 PolarHBondContact O-N 2.99Å; I278-Q281 PolarHBondContact O-N 2.76Å; I278-A282 PolarHBondContact O-N 3.05Å
279V90.6Very high92.8Very high4 Ų477.2 Ų77.22%0.02438%0.38CS..Hα-helixtrans-59.6-43.1178.4172.80000111.2F275 A282 G283 H284 K285F275-V279 HydrophobicContact CD1-CG2 4.19Å; F275-V279 HydrophobicContact CD2-CG2 3.99Å; F275-V279 HydrophobicContact CE1-CG2 3.76Å; F275-V279 HydrophobicContact CE2-CG2 3.53Å; F275-V279 HydrophobicContact CG-CG2 4.3Å; F275-V279 HydrophobicContact CZ-CG2 3.39Å; F275-V279 VanDerWaalsContact O-CG2 3.31Å; F275-V279 WeakPolarHBondContact O-CG2 3.43Å; F275-V279 PolarHBondContact O-N 2.84Å; V279-A282 PolarHBondContact O-N 3.35Å; V279-G283 PolarHBondContact O-N 3.08Å; V279-H284 HydrophobicContact CG1-CB 4.05Å; V279-H284 WeakPolarHBondContact CG1-O 3.47Å; V279-H284 PolarHBondContact O-N 2.78Å; V279-K285 WeakPolarHBondContact CG1-O 3.15Å
280K91.9Very high92.6Very high171 Ų17179.4 Ų79.474%0.74339%0.39SS*.Hα-helixtrans-66.8-41.3178.3-174-180179-176.60112.6P276 R277 I278 A282 G283P276-K280 WeakPolarHBondContact O-CB 3.43Å; P276-K280 PolarHBondContact O-N 2.9Å; P276-K280 VanDerWaalsContact O-N 3.15Å; R277-K280 PolarHBondContact O-N 2.89Å; I278-K280 VanDerWaalsContact C-N 3.31Å; I278-K280 PolarHBondContact O-N 2.99Å; K280-A282 VanDerWaalsContact C-N 3.29Å; K280-A282 PolarHBondContact O-N 3.5Å; K280-G283 PolarHBondContact O-N 3.47Å
281Q92.9Very high92.2Very high167 Ų16788.3 Ų88.378%0.7843%0.429SS*.Hα-helixtrans-65.5-33.1177-77.2174-23.900112.1R277 I278 G283R277-Q281 WeakPolarHBondContact O-CB 3.38Å; R277-Q281 WeakPolarHBondContact O-CG 3.34Å; R277-Q281 PolarHBondContact O-N 2.76Å; I278-Q281 PolarHBondContact O-N 2.76Å; Q281-G283 PolarHBondContact O-N 2.72Å
282A90.4Very high92.1Very high51 Ų5190.9 Ų90.942%0.42144%0.443SS..THydrogen-bonded Turntrans-72.5-1.4171.300000113.6I278 V279 K280 H284I278-A282 PolarHBondContact O-N 3.05Å; V279-A282 PolarHBondContact O-N 3.35Å; K280-A282 VanDerWaalsContact C-N 3.29Å; K280-A282 PolarHBondContact O-N 3.5Å; A282-H284 PolarHBondContact O-CD2 3.2Å; A282-H284 PolarHBondContact O-N 3.39Å; A282-H284 PolarHBondContact O-NE2 2.69Å
283G90.8Very high92.1Very high67 Ų6791.5 Ų91.569%0.69145%0.445SS*.THydrogen-bonded Turntrans71.79.6-176.500000114.1V279 K280 Q281V279-G283 PolarHBondContact O-N 3.08Å; K280-G283 PolarHBondContact O-N 3.47Å; Q281-G283 PolarHBondContact O-N 2.72Å
284H89.8Confident92.2Very high75 Ų7590.2 Ų90.235%0.34744%0.444SS..  trans-92.4156.1-176.9-62.5169.9000111.6D144 H145 V279 A282D144-H284 PolarHBondContact O-CE1 2.92Å; D144-H284 PolarHBondContact O-ND1 2.86Å; H145-H284 AromaticContact CD2-ND1 3.76Å; V279-H284 HydrophobicContact CG1-CB 4.05Å; V279-H284 WeakPolarHBondContact CG1-O 3.47Å; V279-H284 PolarHBondContact O-N 2.78Å; A282-H284 PolarHBondContact O-CD2 3.2Å; A282-H284 PolarHBondContact O-N 3.39Å; A282-H284 PolarHBondContact O-NE2 2.69Å
285K89.4Confident92.3Very high186 Ų18691.4 Ų91.481%0.80945%0.445SS*.  trans-86.4157.2169.3-66.8179.1-178.1174.10109.5V279 P287V279-K285 WeakPolarHBondContact CG1-O 3.15Å; K285-P287 WeakPolarHBondContact O-CD 3.39Å
286N91.9Very high92.5Very high26 Ų2690.1 Ų90.114%0.13944%0.44CS..  trans-57.4113.6175178.83.8000109.8R264 G265 F266 Y288 S289R264-N286 PolarHBondContact O-ND2 2.97Å; G265-N286 PolarHBondContact O-ND2 3.34Å; F266-N286 HydrophobicContact CE1-CB 4.16Å; F266-N286 VanDerWaalsContact CE1-CG 3.44Å; F266-N286 VanDerWaalsContact CE1-ND2 3.31Å; F266-N286 WeakPolarHBondContact CE1-ND2 3.45Å; F266-N286 HydrophobicContact CE2-CB 4.45Å; F266-N286 HydrophobicContact CZ-CB 3.72Å; F266-N286 VanDerWaalsContact CZ-CG 3.48Å; F266-N286 WeakPolarHBondContact CZ-ND2 3.44Å; N286-Y288 PolarHBondContact O-N 3.45Å; N286-Y288 VanDerWaalsContact O-N 3.16Å; N286-Y288 PolarHBondContact OD1-N 3.4Å; N286-S289 PolarHBondContact O-N 3.3Å
287P91.5Very high92.7Very high42 Ų4291.9 Ų91.927%0.27345%0.445SS..THydrogen-bonded Turntrans-68-15.9-175.427.9-35.6000113I142 H145 F275 K285I142-P287 HydrophobicContact CG2-CB 4.23Å; H145-P287 HydrophobicContact CB-CG 4.37Å; F275-P287 HydrophobicContact CZ-CG 4.46Å; K285-P287 WeakPolarHBondContact O-CD 3.39Å
288Y92.2Very high92.9Very high48 Ų4886.3 Ų86.319%0.18843%0.428CS..THydrogen-bonded Turntrans-101.4-0.4-178.7-47.3-65.4000113.8I142 R162 F275 N286I142-Y288 HydrophobicContact CD1-CE1 4.06Å; I142-Y288 HydrophobicContact CG2-CE1 4.24Å; R162-Y288 HydrophobicContact CG-CD1 4.36Å; R162-Y288 HydrophobicContact CG-CD2 4.29Å; R162-Y288 HydrophobicContact CG-CE1 3.87Å; R162-Y288 HydrophobicContact CG-CE2 3.8Å; F275-Y288 HydrophobicContact CE1-CD2 4.1Å; F275-Y288 AromaticContact CE1-CE2 3.73Å; F275-Y288 HydrophobicContact CE1-CE2 3.73Å; F275-Y288 AromaticContact CZ-CE2 3.86Å; F275-Y288 HydrophobicContact CZ-CE2 3.86Å; N286-Y288 PolarHBondContact O-N 3.45Å; N286-Y288 VanDerWaalsContact O-N 3.16Å; N286-Y288 PolarHBondContact OD1-N 3.4Å
289S92.6Very high93.1Very high30 Ų3085.5 Ų85.521%0.2142%0.42CS..SBendtrans-87.2139.8178.7176.20000110.2N286 K291 N296N286-S289 PolarHBondContact O-N 3.3Å; S289-K291 PolarHBondContact O-N 3.03Å; S289-K291 PolarHBondContact OG-N 2.81Å; S289-N296 PolarHBondContact OG-ND2 3.46Å
290H91.2Very high93.4Very high83 Ų8385.9 Ų85.938%0.38442%0.423SS..  trans-74.521.8170.3-63.8-79.9000113.3N292 Y295 N296 Y299H290-N292 PolarHBondContact O-N 3.32Å; H290-Y295 HydrophobicContact CB-CD1 3.39Å; H290-Y295 HydrophobicContact CB-CE1 3.84Å; H290-Y295 HydrophobicContact CB-CG 4.48Å; H290-Y295 AromaticContact CD2-CD1 3.98Å; H290-Y295 AromaticContact CD2-CE1 3.97Å; H290-Y295 AromaticContact CG-CD1 3.59Å; H290-Y295 AromaticContact CG-CE1 3.59Å; H290-Y295 AromaticContact ND1-CE1 3.71Å; H290-N296 VanDerWaalsContact CB-OD1 3.31Å; H290-N296 WeakPolarHBondContact CB-OD1 3.44Å; H290-N296 PolarHBondContact CD2-OD1 3.43Å; H290-N296 VanDerWaalsContact CD2-OD1 3.29Å; H290-N296 PolarHBondContact N-OD1 3.25Å; H290-Y299 AromaticContact NE2-CD1 3.37Å; H290-Y299 WeakPolarHBondContact NE2-CD1 3.18Å; H290-Y299 AromaticContact NE2-CD2 3.94Å; H290-Y299 AromaticContact NE2-CE1 3.56Å; H290-Y299 AromaticContact NE2-CG 3.57Å; H290-Y299 AromaticContact NE2-CZ 3.92Å
291K89.2Confident93.6Very high202 Ų20278.5 Ų78.588%0.87839%0.391SS*.SBendtrans63.8-17.2179.7-54.1175.6-179176.30115.8S289S289-K291 PolarHBondContact O-N 3.03Å; S289-K291 PolarHBondContact OG-N 2.81Å
292N94.3Very high93.7Very high87 Ų8779.5 Ų79.547%0.46539%0.388SS..  trans-115.2124.1175.1-179.6-37.2000110.6H290 F294 Y295 N296H290-N292 PolarHBondContact O-N 3.32Å; N292-F294 PolarHBondContact O-N 3.34Å; N292-F294 WeakPolarHBondContact OD1-CB 3.48Å; N292-F294 PolarHBondContact OD1-N 2.86Å; N292-Y295 PolarHBondContact O-N 3.21Å; N292-Y295 PolarHBondContact OD1-N 3.15Å; N292-Y295 VanDerWaalsContact OD1-N 3.12Å; N292-N296 PolarHBondContact O-N 2.7Å; N292-N296 PolarHBondContact O-ND2 2.91Å
293M95.3Very high93.9Very high126 Ų12677.5 Ų77.562%0.62137%0.372SS*.Hα-helixtrans-62.5-44.1-177.2-67.6-168.5-65.700113.1C263 Y295 N296 Y297C263-M293 HydrophobicContact CB-CB 4.1Å; C263-M293 WeakPolarHBondContact O-CA 3.45Å; M293-Y295 VanDerWaalsContact C-N 3.34Å; M293-N296 PolarHBondContact O-N 2.76Å; M293-Y297 PolarHBondContact O-N 3.1Å; M293-Y297 VanDerWaalsContact O-N 3.14Å
294F96.7Very high94.1Very high145 Ų14578.6 Ų78.664%0.63637%0.367SS*.Hα-helixtrans-66.5-39.5178.2-178.7-107.6000111N292 N296 Y297 V298N292-F294 PolarHBondContact O-N 3.34Å; N292-F294 WeakPolarHBondContact OD1-CB 3.48Å; N292-F294 PolarHBondContact OD1-N 2.86Å; F294-N296 PolarHBondContact O-N 2.89Å; F294-Y297 WeakPolarHBondContact O-CB 3.47Å; F294-Y297 PolarHBondContact O-N 3.39Å; F294-V298 HydrophobicContact CD1-CG2 4.15Å; F294-V298 HydrophobicContact CD2-CG2 4.49Å; F294-V298 HydrophobicContact CE1-CG2 3.7Å; F294-V298 HydrophobicContact CE2-CG2 4.08Å; F294-V298 HydrophobicContact CZ-CG2 3.67Å; F294-V298 WeakPolarHBondContact O-CG2 3.24Å; F294-V298 PolarHBondContact O-N 3Å
295Y97.3Very high94.2Very high117 Ų11778.2 Ų78.246%0.45937%0.366SS..Hα-helixtrans-64.9-38.4175.6-171.6-91.4000112.2H290 N292 M293 Y297 V298 Y299H290-Y295 HydrophobicContact CB-CD1 3.39Å; H290-Y295 HydrophobicContact CB-CE1 3.84Å; H290-Y295 HydrophobicContact CB-CG 4.48Å; H290-Y295 AromaticContact CD2-CD1 3.98Å; H290-Y295 AromaticContact CD2-CE1 3.97Å; H290-Y295 AromaticContact CG-CD1 3.59Å; H290-Y295 AromaticContact CG-CE1 3.59Å; H290-Y295 AromaticContact ND1-CE1 3.71Å; N292-Y295 PolarHBondContact O-N 3.21Å; N292-Y295 PolarHBondContact OD1-N 3.15Å; N292-Y295 VanDerWaalsContact OD1-N 3.12Å; M293-Y295 VanDerWaalsContact C-N 3.34Å; Y295-Y297 VanDerWaalsContact C-N 3.31Å; Y295-Y297 PolarHBondContact O-N 2.88Å; Y295-V298 PolarHBondContact O-N 3.07Å; Y295-Y299 HydrophobicContact CE1-CD2 4.2Å; Y295-Y299 HydrophobicContact CE1-CG 4.45Å; Y295-Y299 WeakPolarHBondContact O-CB 3.41Å; Y295-Y299 PolarHBondContact O-N 2.97Å
296N97Very high94.4Very high4 Ų471.3 Ų71.32%0.02134%0.337CS..Hα-helixtrans-59.8-42.2173.6-69.6-34.7000112.2M262 C263 S289 H290 N292 M293 F294 T300M262-N296 WeakPolarHBondContact O-CB 3.5Å; C263-N296 PolarHBondContact O-ND2 3.33Å; S289-N296 PolarHBondContact OG-ND2 3.46Å; H290-N296 VanDerWaalsContact CB-OD1 3.31Å; H290-N296 WeakPolarHBondContact CB-OD1 3.44Å; H290-N296 PolarHBondContact CD2-OD1 3.43Å; H290-N296 VanDerWaalsContact CD2-OD1 3.29Å; H290-N296 PolarHBondContact N-OD1 3.25Å; N292-N296 PolarHBondContact O-N 2.7Å; N292-N296 PolarHBondContact O-ND2 2.91Å; M293-N296 PolarHBondContact O-N 2.76Å; F294-N296 PolarHBondContact O-N 2.89Å; N296-T300 WeakPolarHBondContact O-CB 3.42Å; N296-T300 PolarHBondContact O-N 3.29Å; N296-T300 PolarHBondContact O-OG1 3.44Å
297Y97.4Very high94.5Very high54 Ų5473.8 Ų73.821%0.21235%0.354CS..Hα-helixtrans-60.5-53.9175.6174.5-90000111.1Y200 T259 M262 M293 F294 Y295 Y299 T300 L301 W302Y200-Y297 HydrophobicContact CE2-CE2 4.33Å; Y200-Y297 WeakPolarHBondContact OH-CE2 3.45Å; T259-Y297 HydrophobicContact CG2-CD2 4.27Å; T259-Y297 HydrophobicContact CG2-CE2 4.11Å; M262-Y297 HydrophobicContact CB-CD2 4.34Å; M262-Y297 HydrophobicContact CE-CD2 3.54Å; M262-Y297 HydrophobicContact CE-CE2 3.72Å; M262-Y297 HydrophobicContact CE-CG 4.23Å; M262-Y297 HydrophobicContact SD-CD2 4.37Å; M262-Y297 HydrophobicContact SD-CE2 4.48Å; M293-Y297 PolarHBondContact O-N 3.1Å; M293-Y297 VanDerWaalsContact O-N 3.14Å; F294-Y297 WeakPolarHBondContact O-CB 3.47Å; F294-Y297 PolarHBondContact O-N 3.39Å; Y295-Y297 VanDerWaalsContact C-N 3.31Å; Y295-Y297 PolarHBondContact O-N 2.88Å; Y297-Y299 PolarHBondContact O-N 3.13Å; Y297-T300 PolarHBondContact O-N 3.19Å; Y297-L301 HydrophobicContact CD1-CD1 4.29Å; Y297-L301 HydrophobicContact CE1-CD1 3.57Å; Y297-L301 HydrophobicContact CE2-CD1 4.18Å; Y297-L301 VanDerWaalsContact CZ-CD1 3.5Å; Y297-L301 PolarHBondContact O-N 3.4Å; Y297-W302 HydrophobicContact CE1-CZ3 4.37Å
298V97.2Very high94.7Very high41 Ų4172.1 Ų72.125%0.24834%0.343CS..Hα-helixtrans-61.5-45179.9171.90000111.2F294 Y295 T300 L301 W302F294-V298 HydrophobicContact CD1-CG2 4.15Å; F294-V298 HydrophobicContact CD2-CG2 4.49Å; F294-V298 HydrophobicContact CE1-CG2 3.7Å; F294-V298 HydrophobicContact CE2-CG2 4.08Å; F294-V298 HydrophobicContact CZ-CG2 3.67Å; F294-V298 WeakPolarHBondContact O-CG2 3.24Å; F294-V298 PolarHBondContact O-N 3Å; Y295-V298 PolarHBondContact O-N 3.07Å; V298-T300 VanDerWaalsContact C-N 3.25Å; V298-T300 PolarHBondContact O-N 2.99Å; V298-L301 PolarHBondContact O-N 3.17Å; V298-L301 VanDerWaalsContact O-N 3.17Å; V298-W302 HydrophobicContact CB-CE3 4.27Å; V298-W302 HydrophobicContact CG1-CE3 3.87Å; V298-W302 HydrophobicContact CG2-CE3 4.45Å; V298-W302 HydrophobicContact CG2-CZ3 4.35Å; V298-W302 PolarHBondContact O-N 2.66Å
299Y96.4Very high94.9Very high69 Ų6972.5 Ų72.527%0.27135%0.349SS..Hα-helixtrans-61.3-34.4178-175.7-93.4000112.2H290 Y295 Y297 G303H290-Y299 AromaticContact NE2-CD1 3.37Å; H290-Y299 WeakPolarHBondContact NE2-CD1 3.18Å; H290-Y299 AromaticContact NE2-CD2 3.94Å; H290-Y299 AromaticContact NE2-CE1 3.56Å; H290-Y299 AromaticContact NE2-CG 3.57Å; H290-Y299 AromaticContact NE2-CZ 3.92Å; Y295-Y299 HydrophobicContact CE1-CD2 4.2Å; Y295-Y299 HydrophobicContact CE1-CG 4.45Å; Y295-Y299 WeakPolarHBondContact O-CB 3.41Å; Y295-Y299 PolarHBondContact O-N 2.97Å; Y297-Y299 PolarHBondContact O-N 3.13Å; Y299-G303 WeakPolarHBondContact O-CA 3.24Å; Y299-G303 PolarHBondContact O-N 2.92Å
300T95.7Very high95Very high13 Ų1371.5 Ų71.58%0.0834%0.341CS..Hα-helixtrans-67.9-37.2177.4-59.80000112.2Y192 M262 N296 Y297 V298Y192-T300 HydrophobicContact CD1-CG2 3.65Å; Y192-T300 HydrophobicContact CE1-CG2 3.75Å; M262-T300 HydrophobicContact CE-CG2 3.91Å; M262-T300 HydrophobicContact CG-CG2 4.02Å; M262-T300 HydrophobicContact SD-CG2 4.45Å; N296-T300 WeakPolarHBondContact O-CB 3.42Å; N296-T300 PolarHBondContact O-N 3.29Å; N296-T300 PolarHBondContact O-OG1 3.44Å; Y297-T300 PolarHBondContact O-N 3.19Å; V298-T300 VanDerWaalsContact C-N 3.25Å; V298-T300 PolarHBondContact O-N 2.99Å
301L96.1Very high95.1Very high16 Ų1672.4 Ų72.48%0.08434%0.341CS..Hα-helixtrans-84.2-44.6-178.7-67.1179000113.1I196 L197 M262 Y297 V298I196-L301 HydrophobicContact CB-CD2 4.12Å; I196-L301 HydrophobicContact CG2-CD2 3.67Å; L197-L301 HydrophobicContact CD2-CD2 4.27Å; M262-L301 HydrophobicContact CE-CD1 4.2Å; M262-L301 HydrophobicContact CE-CD2 3.88Å; M262-L301 HydrophobicContact CE-CG 3.7Å; Y297-L301 HydrophobicContact CD1-CD1 4.29Å; Y297-L301 HydrophobicContact CE1-CD1 3.57Å; Y297-L301 HydrophobicContact CE2-CD1 4.18Å; Y297-L301 VanDerWaalsContact CZ-CD1 3.5Å; Y297-L301 PolarHBondContact O-N 3.4Å; V298-L301 PolarHBondContact O-N 3.17Å; V298-L301 VanDerWaalsContact O-N 3.17Å
302W95.5Very high95.3Very high187 Ų18762.9 Ų62.971%0.70830%0.3SS*.Hα-helixtrans-114.50.2-171-67.7-77.8000114.4Y297 V298Y297-W302 HydrophobicContact CE1-CZ3 4.37Å; V298-W302 HydrophobicContact CB-CE3 4.27Å; V298-W302 HydrophobicContact CG1-CE3 3.87Å; V298-W302 HydrophobicContact CG2-CE3 4.45Å; V298-W302 HydrophobicContact CG2-CZ3 4.35Å; V298-W302 PolarHBondContact O-N 2.66Å
303G94Very high95.3Very high9 Ų964.3 Ų64.39%0.09330%0.299CS..SBendtrans-67.2169.2176.400000113.3R193 Y299 Q305R193-G303 VanDerWaalsContact CZ-O 3.27Å; R193-G303 PolarHBondContact NH1-O 3.05Å; R193-G303 PolarHBondContact NH2-O 3.42Å; Y299-G303 WeakPolarHBondContact O-CA 3.24Å; Y299-G303 PolarHBondContact O-N 2.92Å; G303-Q305 PolarHBondContact O-N 2.81Å
304P94.8Very high95.3Very high90 Ų9064.2 Ų64.258%0.58429%0.292SS*.PPolyproline II helixtrans-56138.9-179.6-24.734.4000112.7R193 M306R193-P304 VanDerWaalsContact NH2-C 3.3Å; R193-P304 PolarHBondContact NH2-O 2.89Å; P304-M306 PolarHBondContact O-N 3.49Å
305Q92.6Very high95.2Very high67 Ų6763.8 Ų63.831%0.31329%0.29SS..PPolyproline II helixtrans-75.1116.6172.8179.468.356.500109.1R190 Y194 G303R190-Q305 PolarHBondContact O-NE2 3.44Å; Y194-Q305 PolarHBondContact OH-OE1 3.05Å; G303-Q305 PolarHBondContact O-N 2.81Å
306M93.1Very high95Very high42 Ų4259.1 Ų59.121%0.20727%0.273CS..PPolyproline II helixtrans-62.6144176.4-64.8-58.6-178.400111Q189 R190 P304Q189-M306 HydrophobicContact CG-CB 4.24Å; Q189-M306 HydrophobicContact CG-CG 3.86Å; R190-M306 HydrophobicContact CG-CB 4.35Å; R190-M306 PolarHBondContact NH1-O 2.76Å; P304-M306 PolarHBondContact O-N 3.49Å
307P94.8Very high94.7Very high77 Ų7759.3 Ų59.350%0.528%0.276SS..PPolyproline II helixtrans-69.7162.6176.831.3-36.2000111.9R190R190-P307 WeakPolarHBondContact CD-O 3.36Å; R190-P307 PolarHBondContact NH1-O 3.19Å
308S96Very high94.4Very high7 Ų762.5 Ų62.55%0.04929%0.293CS..PPolyproline II helixtrans-85.7126.7178.2172.20000106.3D88 L310 R311D88-S308 VanDerWaalsContact OD2-CB 3.26Å; D88-S308 WeakPolarHBondContact OD2-CB 3.5Å; D88-S308 PolarHBondContact OD2-OG 3.43Å; S308-L310 PolarHBondContact OG-N 3.35Å; S308-R311 WeakPolarHBondContact O-CG 3.26Å; S308-R311 PolarHBondContact OG-N 3.48Å
309L95.8Very high94Very high57 Ų5766.4 Ų66.430%0.29831%0.313SS..SBendtrans-74.7-36.3171.4-61.5-173.1000110.6P93 E174P93-L309 HydrophobicContact CG-CB 4.43Å; P93-L309 WeakPolarHBondContact CG-O 3.49Å; E174-L309 HydrophobicContact CG-CD1 4.2Å; E174-L309 WeakPolarHBondContact OE1-CD1 3.24Å; E174-L309 WeakPolarHBondContact OE2-CD1 3.19Å
310L94.9Very high93.8Very high9 Ų964.7 Ų64.75%0.04731%0.313CS..SBendtrans-61.9-47.5178.6-167.469.5000113Y11 F21 I91 S308 G312Y11-L310 HydrophobicContact CD1-CD1 3.8Å; Y11-L310 HydrophobicContact CD1-CG 4.23Å; Y11-L310 HydrophobicContact CE1-CD1 3.24Å; Y11-L310 HydrophobicContact CE1-CG 4.16Å; F21-L310 HydrophobicContact CE1-CD2 3.75Å; F21-L310 HydrophobicContact CZ-CD2 3.88Å; I91-L310 HydrophobicContact CB-CB 4.35Å; I91-L310 HydrophobicContact CB-CD1 4.45Å; I91-L310 HydrophobicContact CB-CD2 4.11Å; I91-L310 HydrophobicContact CD1-CD2 4.1Å; I91-L310 HydrophobicContact CG2-CD1 3.85Å; I91-L310 HydrophobicContact CG2-CD2 4.18Å; I91-L310 HydrophobicContact CG2-CG 4.45Å; S308-L310 PolarHBondContact OG-N 3.35Å; L310-G312 VanDerWaalsContact C-N 3.3Å; L310-G312 PolarHBondContact O-N 3.35Å
311R93.7Very high93.7Very high101 Ų10166 Ų6638%0.38132%0.316SS..  trans41.756.1-174.1-56.9-172.6-99-149.4-6.2111.5S308 W313 R314S308-R311 WeakPolarHBondContact O-CG 3.26Å; S308-R311 PolarHBondContact OG-N 3.48Å; R311-W313 HydrophobicContact CB-CZ2 4.38Å; R311-W313 HydrophobicContact CG-CZ2 4.5Å; R311-W313 PolarHBondContact O-N 2.77Å; R311-R314 HydrophobicContact CB-CB 3.96Å; R311-R314 VanDerWaalsContact NH1-NH2 3.13Å; R311-R314 WeakPolarHBondContact O-CB 3.17Å; R311-R314 PolarHBondContact O-N 3.41Å
312G91.9Very high93.6Very high2 Ų265.5 Ų65.52%0.02131%0.313CS..THydrogen-bonded Turntrans-51.3-30.7-169.200000115.2Y11 Y12 L310 R314Y11-G312 PolarHBondContact N-O 3.12Å; Y12-G312 WeakPolarHBondContact CB-O 3.02Å; Y12-G312 WeakPolarHBondContact CD1-O 3.4Å; Y12-G312 PolarHBondContact N-O 2.75Å; L310-G312 VanDerWaalsContact C-N 3.3Å; L310-G312 PolarHBondContact O-N 3.35Å; G312-R314 VanDerWaalsContact C-N 3.34Å; G312-R314 PolarHBondContact O-N 3.22Å
313W94.4Very high93.4Very high118 Ų11858.7 Ų58.745%0.44729%0.292SS..THydrogen-bonded Turntrans-74.1-16.8176.461.489.8000114.9H24 R26 R311 K315H24-W313 WeakPolarHBondContact O-CB 3.16Å; R26-W313 HydrophobicContact CG-CB 4.5Å; R26-W313 HydrophobicContact CG-CD2 4.45Å; R26-W313 HydrophobicContact CG-CE3 4.16Å; R311-W313 HydrophobicContact CB-CZ2 4.38Å; R311-W313 HydrophobicContact CG-CZ2 4.5Å; R311-W313 PolarHBondContact O-N 2.77Å; W313-K315 PolarHBondContact O-N 2.96Å
314R95.1Very high93.2Very high124 Ų12460.7 Ų60.747%0.46831%0.313SS..SBendtrans-67.2131.7-178.7178.1-179.1-75.5-132.6-6109.4P10 Y11 R311 G312 V316P10-R314 WeakPolarHBondContact CA-O 3.41Å; Y11-R314 PolarHBondContact N-O 2.97Å; R311-R314 HydrophobicContact CB-CB 3.96Å; R311-R314 VanDerWaalsContact NH1-NH2 3.13Å; R311-R314 WeakPolarHBondContact O-CB 3.17Å; R311-R314 PolarHBondContact O-N 3.41Å; G312-R314 VanDerWaalsContact C-N 3.34Å; G312-R314 PolarHBondContact O-N 3.22Å; R314-V316 HydrophobicContact CG-CG1 4.39Å
315K94.7Very high92.9Very high136 Ų13657.5 Ų57.559%0.59129%0.294SS*.EExtended strand (participates in β ladder)trans-77.9131170.8-59.8-175.5176.8-176.80110R8 I9 P10 W313R8-K315 HydrophobicContact CB-CB 3.85Å; I9-K315 WeakPolarHBondContact O-CA 3.12Å; P10-K315 HydrophobicContact CG-CG 4.25Å; W313-K315 PolarHBondContact O-N 2.96Å
316V93.3Very high92.2Very high19 Ų1962.8 Ų62.812%0.11532%0.316CS..EExtended strand (participates in β ladder)trans-122.7146.6-179.3-64.80000110.4R8 I9 Y11 L14 R314 A320R8-V316 WeakPolarHBondContact CA-O 3.35Å; I9-V316 PolarHBondContact N-O 3.32Å; I9-V316 PolarHBondContact O-N 3.45Å; Y11-V316 HydrophobicContact CD2-CG1 4.35Å; Y11-V316 HydrophobicContact CD2-CG2 4.21Å; L14-V316 HydrophobicContact CD1-CG2 3.6Å; R314-V316 HydrophobicContact CG-CG1 4.39Å; V316-A320 HydrophobicContact CB-CB 4.1Å; V316-A320 HydrophobicContact CG1-CB 4.49Å
317G92.1Very high90.7Very high8 Ų867 Ų678%0.08234%0.335CS..  trans-80.1171.217000000111.2D319 A320G317-D319 VanDerWaalsContact C-N 3.26Å; G317-D319 VanDerWaalsContact C-OD1 3.27Å; G317-D319 WeakPolarHBondContact CA-OD1 3.47Å; G317-D319 PolarHBondContact O-N 3.36Å; G317-A320 PolarHBondContact O-N 3.18Å; G317-A320 VanDerWaalsContact O-N 3.08Å
318E89.9Confident88.6Confident120 Ų12068.1 Ų68.156%0.56134%0.337SS*.G310 helixtrans-59.3-34.2-178.2-165.6-177156.800113.5A320 W321E318-A320 PolarHBondContact O-N 3.2Å; E318-W321 VanDerWaalsContact CA-CD1 3.47Å; E318-W321 HydrophobicContact CG-CD2 4.39Å; E318-W321 WeakPolarHBondContact O-CB 3.42Å; E318-W321 PolarHBondContact O-N 3.12Å; E318-W321 VanDerWaalsContact O-N 3.1Å
319D89.7Confident86.1Confident124 Ų12474.2 Ų74.266%0.66337%0.369SS*.G310 helixtrans-58.4-28.2174.862.6-50.8000113.3G317G317-D319 VanDerWaalsContact C-N 3.26Å; G317-D319 VanDerWaalsContact C-OD1 3.27Å; G317-D319 WeakPolarHBondContact CA-OD1 3.47Å; G317-D319 PolarHBondContact O-N 3.36Å
320A91.8Very high83.3Confident33 Ų3377 Ų7727%0.27339%0.393SS..G310 helixtrans-103.815.3-179.300000113.3V316 G317 E318V316-A320 HydrophobicContact CB-CB 4.1Å; V316-A320 HydrophobicContact CG1-CB 4.49Å; G317-A320 PolarHBondContact O-N 3.18Å; G317-A320 VanDerWaalsContact O-N 3.08Å; E318-A320 PolarHBondContact O-N 3.2Å
321W93.3Very high80.2Confident41 Ų4181.3 Ų81.316%0.15542%0.424CS..PPolyproline II helixtrans-69.8134.2176.9-78.719.5000111.8I9 L14 T96 E318 A325 E327I9-W321 HydrophobicContact CD1-CZ2 3.8Å; L14-W321 VanDerWaalsContact CD1-CD1 3.48Å; L14-W321 HydrophobicContact CD1-CD2 4.27Å; L14-W321 HydrophobicContact CD1-CG 4.04Å; L14-W321 HydrophobicContact CD2-CD2 4.25Å; L14-W321 HydrophobicContact CD2-CZ2 4.16Å; T96-W321 WeakPolarHBondContact CA-O 3.28Å; E318-W321 VanDerWaalsContact CA-CD1 3.47Å; E318-W321 HydrophobicContact CG-CD2 4.39Å; E318-W321 WeakPolarHBondContact O-CB 3.42Å; E318-W321 PolarHBondContact O-N 3.12Å; E318-W321 VanDerWaalsContact O-N 3.1Å; W321-A325 HydrophobicContact CB-CB 4.43Å; W321-A325 HydrophobicContact CE3-CB 4.14Å; W321-E327 HydrophobicContact CH2-CG 3.82Å; W321-E327 HydrophobicContact CZ3-CG 3.51Å
322P94.3Very high77.1Confident4 Ų481.7 Ų81.73%0.02644%0.442CS..BIsolated β-bridgetrans-72148.3174.730.9-33.8000110.5Y11 L14 P16 R94 G324 A325Y11-P322 HydrophobicContact CE2-CB 4.23Å; Y11-P322 HydrophobicContact CE2-CG 3.83Å; Y11-P322 WeakPolarHBondContact OH-CB 3.35Å; L14-P322 HydrophobicContact CB-CG 4.42Å; P16-P322 HydrophobicContact CG-CB 4.36Å; P16-P322 HydrophobicContact CG-CG 4.39Å; R94-P322 HydrophobicContact CB-CB 4.01Å; P322-G324 PolarHBondContact O-N 3.13Å; P322-A325 HydrophobicContact CG-CB 4.15Å; P322-A325 WeakPolarHBondContact O-CB 3.28Å; P322-A325 PolarHBondContact O-N 2.76Å
323V91.9Very high73.9Confident44 Ų4489.2 Ų89.227%0.26748%0.482SS..THydrogen-bonded Turntrans-54.7135170.363.30000112.3P16 R94 A95 I100 R156 A325P16-V323 WeakPolarHBondContact CG-O 3.38Å; R94-V323 HydrophobicContact CB-CG1 3.82Å; A95-V323 WeakPolarHBondContact O-CG1 3.05Å; A95-V323 PolarHBondContact O-N 2.94Å; I100-V323 HydrophobicContact CD1-CB 3.52Å; I100-V323 HydrophobicContact CD1-CG1 3.97Å; I100-V323 HydrophobicContact CD1-CG2 3.7Å; R156-V323 HydrophobicContact CB-CG1 4.24Å; R156-V323 HydrophobicContact CG-CG1 3.77Å; R156-V323 HydrophobicContact CG-CG2 4.4Å; V323-A325 VanDerWaalsContact C-N 3.27Å
324G89.2Confident70.7Confident51 Ų5187.2 Ų87.253%0.52650%0.498SS..THydrogen-bonded Turntrans79.34.7-175.500000114.2P322 K326P322-G324 PolarHBondContact O-N 3.13Å; G324-K326 PolarHBondContact O-N 3.08Å
325A89.5Confident67.3Low23 Ų2390.3 Ų90.319%0.1952%0.517CS..PPolyproline II helixtrans-5612516300000108.5L14 W321 P322 V323L14-A325 HydrophobicContact CB-CB 4.22Å; L14-A325 HydrophobicContact CD2-CB 4.45Å; W321-A325 HydrophobicContact CB-CB 4.43Å; W321-A325 HydrophobicContact CE3-CB 4.14Å; P322-A325 HydrophobicContact CG-CB 4.15Å; P322-A325 WeakPolarHBondContact O-CB 3.28Å; P322-A325 PolarHBondContact O-N 2.76Å; V323-A325 VanDerWaalsContact C-N 3.27Å
326K76.1Confident64Low179 Ų17991.4 Ų91.478%0.77853%0.528SS*.PPolyproline II helixtrans-82.9130.3169.9-64.1-176.3177.4-171.90107.2G324 L328G324-K326 PolarHBondContact O-N 3.08Å; K326-L328 PolarHBondContact O-N 3.14Å
327E62Low60.8Low129 Ų129101.5 Ų101.560%0.60356%0.564SS**PPolyproline II helixtrans-53.1132.9163.4-77.5178.8-168.800107.9W321 D329W321-E327 HydrophobicContact CH2-CG 3.82Å; W321-E327 HydrophobicContact CZ3-CG 3.51Å; E327-D329 PolarHBondContact O-N 3.4Å
328L52Low57.6Low101 Ų101107.9 Ų107.953%0.52960%0.596SS.*  trans-70.292.2164.2-73.5166.3000104.6I9 K326 S330I9-L328 HydrophobicContact CD1-CD1 4.49Å; I9-L328 HydrophobicContact CG2-CD1 4.38Å; K326-L328 PolarHBondContact O-N 3.14Å; L328-S330 VanDerWaalsContact C-N 3.35Å; L328-S330 PolarHBondContact O-N 3.29Å
329D42.6Very low54.7Low136 Ų136106.5 Ų106.573%0.72760%0.6SS**  trans-48.198.8177-74.6-23.9000109.5E327 S331E327-D329 PolarHBondContact O-N 3.4Å; D329-S331 PolarHBondContact O-N 3.4Å; D329-S331 VanDerWaalsContact O-N 3.13Å
330S37.5Very low51.9Low115 Ų115106.6 Ų106.680%0.80461%0.605SS**SBendtrans-84.163.4161.559.40000107.6L328L328-S330 VanDerWaalsContact C-N 3.35Å; L328-S330 PolarHBondContact O-N 3.29Å
331S29Very low49.1Very low100 Ų100112.1 Ų112.170%0.69963%0.63SS**SBendtrans151117.8158.1-73.40000109.9D329 N333D329-S331 PolarHBondContact O-N 3.4Å; D329-S331 VanDerWaalsContact O-N 3.13Å; S331-N333 PolarHBondContact O-N 2.79Å; S331-N333 VanDerWaalsContact O-N 3.09Å
332S27.9Very low46.1Very low108 Ų108116.3 Ų116.376%0.75566%0.656SS**SBendtrans-51.4111.3159171.10000109.3
333N24.8Very low43.5Very low160 Ų160121.3 Ų121.386%0.85669%0.688SS**  trans155.6110.9145.1-81.3-20.9000110.5S331S331-N333 PolarHBondContact O-N 2.79Å; S331-N333 VanDerWaalsContact O-N 3.09Å
334G27.6Very low40.6Very low76 Ų76123.7 Ų123.778%0.78471%0.706SS**  trans165.6106.9167.300000114.3
335H24.2Very low37.7Very low190 Ų190126.8 Ų126.888%0.8871%0.711SS**  trans-48.3137.3-177.7-75.8-89.6000116.5R337H335-R337 PolarHBondContact O-N 3.12Å
336I25.8Very low35.2Very low159 Ų159130.5 Ų130.582%0.81573%0.731SS**  trans-54.5117.1165.7-61.9162.7000109.4D338I336-D338 HydrophobicContact CG2-CB 4.47Å
337R25.3Very low33.2Very low230 Ų230127.1 Ų127.187%0.86873%0.73SS**  trans-102.7103.6158.6-76.6-174.3175.2-176-0.8107.8H335 S339H335-R337 PolarHBondContact O-N 3.12Å; R337-S339 PolarHBondContact O-N 2.63Å
338D25Very low31.9Very low143 Ų143124.2 Ų124.277%0.76572%0.724SS**  trans-79.497171.6-144.1-0.1000107.1I336 T340I336-D338 HydrophobicContact CG2-CB 4.47Å; D338-T340 PolarHBondContact O-N 3.36Å
339S29.6Very low31Very low90 Ų90124.5 Ų124.563%0.62973%0.73SS**  trans-92.692.2171.9-67.30000108R337 D341R337-S339 PolarHBondContact O-N 2.63Å; S339-D341 VanDerWaalsContact C-N 3.32Å; S339-D341 PolarHBondContact O-N 3.22Å
340T29.6Very low30.8Very low126 Ų126123.8 Ų123.877%0.77372%0.724SS**  trans-6792.1162.251.30000108.4D338 N342D338-T340 PolarHBondContact O-N 3.36Å; T340-N342 PolarHBondContact O-N 2.88Å
341D33.1Very low30.5Very low149 Ų149123.3 Ų123.380%0.79772%0.721SS**  trans-74.5117.4174-78.3-27.7000110.4S339S339-D341 VanDerWaalsContact C-N 3.32Å; S339-D341 PolarHBondContact O-N 3.22Å
342N31.1Very low30.7Very low130 Ų130127.1 Ų127.170%0.69573%0.725SS**  trans-74.7132.8176.7-162.28.1000109.8T340 S344T340-N342 PolarHBondContact O-N 2.88Å; N342-S344 PolarHBondContact O-N 3.34Å
343P39.5Very low30.6Very low108 Ų108130.1 Ų130.170%0.70173%0.727SS**G310 helixtrans-756.1-167.7-15.130000116.7N345P343-N345 PolarHBondContact O-N 3.44Å
344S30.8Very low31Very low94 Ų94129.8 Ų129.866%0.65773%0.725SS**G310 helixtrans-875-167.746.50000116.1N342N342-S344 PolarHBondContact O-N 3.34Å
345N29Very low31.3Very low116 Ų116131.2 Ų131.262%0.6272%0.721SS**G310 helixtrans-116.614.6-176.1-108.9-13.5000116.5P343 S347 S348P343-N345 PolarHBondContact O-N 3.44Å; N345-S347 VanDerWaalsContact C-N 3.27Å; N345-S347 PolarHBondContact O-N 2.95Å; N345-S348 PolarHBondContact O-N 3.34Å; N345-S348 PolarHBondContact O-OG 2.95Å; N345-S348 VanDerWaalsContact O-OG 3.14Å
346V37.8Very low31.5Very low101 Ų101125.9 Ų125.961%0.61270%0.703SS**Hα-helixtrans-64.4-30-178.9-176.50000112.6S348V346-S348 VanDerWaalsContact C-N 3.32Å; V346-S348 PolarHBondContact O-N 2.83Å
347S33Very low31.8Very low108 Ų108125.8 Ų125.876%0.75570%0.702SS**Hα-helixtrans-69.7-23.3-178.7-55.50000114.4N345N345-S347 VanDerWaalsContact C-N 3.27Å; N345-S347 PolarHBondContact O-N 2.95Å
348S34.8Very low32Very low69 Ų69119.8 Ų119.848%0.48369%0.693SS.*Hα-helixtrans-90-16.8-177.363.40000113.9N345 V346N345-S348 PolarHBondContact O-N 3.34Å; N345-S348 PolarHBondContact O-OG 2.95Å; N345-S348 VanDerWaalsContact O-OG 3.14Å; V346-S348 VanDerWaalsContact C-N 3.32Å; V346-S348 PolarHBondContact O-N 2.83Å
349V32.6Very low32.2Very low107 Ų107116.5 Ų116.565%0.64868%0.675SS**Hα-helixtrans-79.2-26.1177.6-178.30000111.8S351 K352V349-S351 PolarHBondContact O-N 2.63Å; V349-K352 PolarHBondContact O-N 3.16Å
350I38.4Very low32.1Very low120 Ų120116.2 Ų116.262%0.61567%0.671SS**THydrogen-bonded Turntrans-64-24.3-177.6-63.1170.6000112.2K352I350-K352 PolarHBondContact O-N 3.06Å
351S32.4Very low32.2Very low105 Ų105116.2 Ų116.273%0.73467%0.665SS**THydrogen-bonded Turntrans-83.1-8.9-175-171.20000115.1V349V349-S351 PolarHBondContact O-N 2.63Å
352K31.5Very low32.1Very low181 Ų181115 Ų11579%0.78766%0.658SS**THydrogen-bonded Turntrans-118.3-5.3-169-78.5-170.5177.7179.80117.2V349 I350V349-K352 PolarHBondContact O-N 3.16Å; I350-K352 PolarHBondContact O-N 3.06Å
353H27.6Very low32Very low170 Ų170114.4 Ų114.479%0.78765%0.653SS**SBendtrans-126.7128.9173.2-81.36.3000110.9
354N32Very low31.8Very low153 Ų153112.9 Ų112.982%0.81864%0.639SS**PPolyproline II helixtrans-47.8143.6163.5-73.6-31.7000108.9
355P33.7Very low31.7Very low107 Ų107112.3 Ų112.370%0.69563%0.628SS**PPolyproline II helixtrans-54.3139.5-176.622.4-32.4000109.8I357P355-I357 PolarHBondContact O-N 2.76Å
356P28.2Very low31.8Very low77 Ų77112.6 Ų112.650%0.563%0.63SS.*PPolyproline II helixtrans-52.8133.6174.1-20.729.6000109.6
357I31.9Very low31.8Very low158 Ų158114.6 Ų114.681%0.8163%0.626SS**PPolyproline II helixtrans-51.3124.6176.1-60.2167.8000107.6P355 L359P355-I357 PolarHBondContact O-N 2.76Å; I357-L359 PolarHBondContact O-N 2.91Å
358P30.1Very low31.7Very low103 Ų103113.4 Ų113.467%0.66961%0.612SS**PPolyproline II helixtrans-52.7132.7176-25.433.4000110
359L29.8Very low31.4Very low74 Ų74113.6 Ų113.639%0.38762%0.617SS.*PPolyproline II helixtrans-52.1137.1171.2-77.2168.6000108.6I357 I361I357-L359 PolarHBondContact O-N 2.91Å; L359-I361 PolarHBondContact O-N 3.24Å
360P27.1Very low31.2Very low85 Ų85115.8 Ų115.855%0.55262%0.618SS**PPolyproline II helixtrans-49.4129.8177.4-26.132.8000110D362 M363P360-D362 PolarHBondContact O-N 3.43Å; P360-M363 PolarHBondContact O-N 2.75Å
361I32.7Very low30.8Very low125 Ų125117.1 Ų117.164%0.64162%0.621SS**Hα-helixtrans-48.5-27.2-176.9-67.8170.9000111.4L359 M363 L364 N365L359-I361 PolarHBondContact O-N 3.24Å; I361-M363 PolarHBondContact O-N 3.35Å; I361-L364 PolarHBondContact O-N 3.44Å; I361-N365 WeakPolarHBondContact CG2-ND2 3.44Å; I361-N365 VanDerWaalsContact O-CB 3.26Å; I361-N365 WeakPolarHBondContact O-CB 3.4Å; I361-N365 VanDerWaalsContact O-CG 3.3Å; I361-N365 PolarHBondContact O-N 2.97Å
362D30Very low30.5Very low123 Ų123122.5 Ų122.566%0.65863%0.627SS**Hα-helixtrans-64.7-29.3177.5-64.1-26.3000115.3P360 N366P360-D362 PolarHBondContact O-N 3.43Å; D362-N366 PolarHBondContact O-N 3.19Å
363M30Very low30.1Very low119 Ų119120.8 Ų120.859%0.58663%0.627SS**Hα-helixtrans-79.9-37178.2-74-94.88600112.2P360 I361 N366P360-M363 PolarHBondContact O-N 2.75Å; I361-M363 PolarHBondContact O-N 3.35Å; M363-N366 PolarHBondContact O-N 2.82Å
364L35.2Very low30.1Very low76 Ų76117.5 Ų117.540%0.39862%0.623SS.*Hα-helixtrans-69.4-40.2171.6-89.1149.5000110.8I361 N366 R367 N368I361-L364 PolarHBondContact O-N 3.44Å; L364-N366 VanDerWaalsContact C-N 3.3Å; L364-N366 PolarHBondContact O-N 2.93Å; L364-R367 PolarHBondContact O-N 2.89Å; L364-R367 VanDerWaalsContact O-N 3.16Å; L364-N368 WeakPolarHBondContact O-CB 3.08Å; L364-N368 PolarHBondContact O-N 3.03Å
365N28Very low29.7Very low82 Ų82115 Ų11544%0.43962%0.617SS.*Hα-helixtrans-63-33.7173.2-80.3-10.5000111.8I361 R367 N368 A369I361-N365 WeakPolarHBondContact CG2-ND2 3.44Å; I361-N365 VanDerWaalsContact O-CB 3.26Å; I361-N365 WeakPolarHBondContact O-CB 3.4Å; I361-N365 VanDerWaalsContact O-CG 3.3Å; I361-N365 PolarHBondContact O-N 2.97Å; N365-R367 PolarHBondContact O-N 3Å; N365-N368 CarbonylContact O-C 3.41Å; N365-N368 PolarHBondContact O-N 3.36Å; N365-A369 WeakPolarHBondContact O-CA 3.42Å; N365-A369 WeakPolarHBondContact O-CB 3.46Å; N365-A369 PolarHBondContact O-N 3.04Å
366N30Very low29.3Very low121 Ų121119.7 Ų119.765%0.64762%0.622SS**Hα-helixtrans-70.4-16177.4-121.4-18.1000114.3D362 M363 L364D362-N366 PolarHBondContact O-N 3.19Å; M363-N366 PolarHBondContact O-N 2.82Å; L364-N366 VanDerWaalsContact C-N 3.3Å; L364-N366 PolarHBondContact O-N 2.93Å
367R38.4Very low29.2Very low144 Ų144123.8 Ų123.854%0.54364%0.64SS.*Hα-helixtrans-97.7-27.6169.7-73.2-174.4-178.9157.35.6112.8E99 L364 N365E99-R367 IonicContact OE1-CZ 2.73Å; E99-R367 VanDerWaalsContact OE1-CZ 3.3Å; E99-R367 IonicContact OE1-NH1 3.53Å; E99-R367 PolarHBondContact OE1-NH1 3.37Å; E99-R367 IonicContact OE1-NH2 3.52Å; E99-R367 PolarHBondContact OE1-NH2 3.09Å; E99-R367 VanDerWaalsContact OE1-NH2 3.07Å; L364-R367 PolarHBondContact O-N 2.89Å; L364-R367 VanDerWaalsContact O-N 3.16Å; N365-R367 PolarHBondContact O-N 3Å
368N31.2Very low28.7Very low83 Ų83128 Ų12844%0.44465%0.646SS.*Hα-helixtrans-95.1-7.7179.1-65.8-18.1000114.1L364 N365 F370 H371L364-N368 WeakPolarHBondContact O-CB 3.08Å; L364-N368 PolarHBondContact O-N 3.03Å; N365-N368 CarbonylContact O-C 3.41Å; N365-N368 PolarHBondContact O-N 3.36Å; N368-F370 PolarHBondContact O-N 3.15Å; N368-H371 PolarHBondContact O-CD2 2.89Å; N368-H371 PolarHBondContact O-N 3.31Å
369A28.1Very low28.5Very low72 Ų72128.6 Ų128.660%0.59565%0.653SS**THydrogen-bonded Turntrans-69.17.7-17900000114.4N365 H371N365-A369 WeakPolarHBondContact O-CA 3.42Å; N365-A369 WeakPolarHBondContact O-CB 3.46Å; N365-A369 PolarHBondContact O-N 3.04Å; A369-H371 VanDerWaalsContact C-N 3.26Å
370F29.7Very low28.7Very low154 Ų154130 Ų13068%0.67567%0.666SS**THydrogen-bonded Turntrans-85.74.2163.2-72.4-75.1000113.3N368 Y372N368-F370 PolarHBondContact O-N 3.15Å; F370-Y372 VanDerWaalsContact C-N 3.33Å; F370-Y372 PolarHBondContact O-N 3.29Å
371H28.6Very low28.5Very low147 Ų147135 Ų13568%0.68168%0.681SS**SBendtrans-65.997.3159.4-79.4-74.4000109.2N368 A369 N373N368-H371 PolarHBondContact O-CD2 2.89Å; N368-H371 PolarHBondContact O-N 3.31Å; A369-H371 VanDerWaalsContact C-N 3.26Å; H371-N373 PolarHBondContact O-N 3.02Å; H371-N373 VanDerWaalsContact O-N 3.12Å
372Y26.9Very low28.3Very low219 Ų219135.7 Ų135.786%0.85969%0.691SS**  trans-54.2113170.4-154.8-95000108.7F370 S374F370-Y372 VanDerWaalsContact C-N 3.33Å; F370-Y372 PolarHBondContact O-N 3.29Å; Y372-S374 PolarHBondContact O-N 3.49Å
373N23.3Very low28.1Very low145 Ų145134.8 Ų134.878%0.77570%0.695SS**  trans-61.4100168.3-86.9-17.9000108.6H371 S375H371-N373 PolarHBondContact O-N 3.02Å; H371-N373 VanDerWaalsContact O-N 3.12Å; N373-S375 VanDerWaalsContact C-N 3.3Å; N373-S375 PolarHBondContact O-N 3.47Å
374S27.3Very low27.9Very low101 Ų101138.7 Ų138.771%0.70671%0.712SS**  trans-90.377.9155.9-174.80000107.4Y372 Y376Y372-S374 PolarHBondContact O-N 3.49Å; S374-Y376 PolarHBondContact O-N 3.41Å
375S23.5Very low27.5Very low99 Ų99140.1 Ų140.169%0.69273%0.728SS**  trans-75.675168.447.60000109.2N373N373-S375 VanDerWaalsContact C-N 3.3Å; N373-S375 PolarHBondContact O-N 3.47Å
376Y24.5Very low27.5Very low207 Ų207142 Ų14281%0.81275%0.745SS**  trans-163.193.1161.1-96.9-78.2000107.5S374S374-Y376 PolarHBondContact O-N 3.41Å
377D27.3Very low27.3Very low163 Ų163145.5 Ų145.587%0.87276%0.757SS**  -175.6103.6127.7-94.9-24000109.8
378R20.9Very low26.8Very low245 Ų245145.9 Ų145.993%0.92577%0.768SS**  trans-84.8113.3154.9-81.8-177.3-170.4-168.32.3106.6
379S26.6Very low26.7Very low117 Ų117147.1 Ų147.182%0.81878%0.781SS**  trans-170.4156.8142.8-96.80000113
380P33.7Very low26.8Very low104 Ų104151.1 Ų151.168%0.67579%0.791SS**  trans-104.5160.8-145.337.8-30.8000114.2
381H22.5Very low26.7Very low188 Ų188150.8 Ų150.887%0.8779%0.794SS**  trans37.898.4153.3-72.9-75.4000117.6
382V28.1Very low26.8Very low140 Ų140153 Ų15385%0.84880%0.797SS**  trans-138.7134.2147.5-179.10000110.3
383S26.7Very low27.1Very low104 Ų104151.3 Ų151.373%0.72780%0.797SS**  trans-40.7154.1-179.448.30000119.1S385S383-S385 PolarHBondContact O-N 3.18Å
384E24.9Very low27.6Very low202 Ų202150.8 Ų150.894%0.94479%0.794SS**  trans-33.6116.9169.3-65172.3158.400114.6
385S27.2Very low27.8Very low106 Ų106154.2 Ų154.274%0.74180%0.799SS**PPolyproline II helixtrans-100.7147.1161.955.40000110.2S383S383-S385 PolarHBondContact O-N 3.18Å
386P28.5Very low28.3Very low121 Ų121155.9 Ų155.979%0.78680%0.804SS**PPolyproline II helixtrans-78145.6-151.222-19.3000114.2I388P386-I388 PolarHBondContact O-N 3.35Å
387Q26.4Very low28.7Very low194 Ų194150.7 Ų150.791%0.90780%0.799SS**PPolyproline II helixtrans-59.7116.2178.1-67-170.5-1500111.3
388I28Very low28.8Very low152 Ų152152.9 Ų152.978%0.77980%0.795SS**PPolyproline II helixtrans-71.8128.3169.7-60.9174.4000107.9P386 I390P386-I388 PolarHBondContact O-N 3.35Å; I388-I390 PolarHBondContact O-N 3.41Å
389P28.8Very low29.5Very low110 Ų110146.7 Ų146.771%0.71479%0.786SS**PPolyproline II helixtrans-64.3130.2-173-1930.4000112.6I391P389-I391 PolarHBondContact O-N 3.36Å
390I30.5Very low29.9Very low156 Ų156147.4 Ų147.480%0.878%0.781SS**  trans-73.4104.2173.6-59.1171.8000108.1I388 R392I388-I390 PolarHBondContact O-N 3.41Å; I390-R392 PolarHBondContact O-N 3.14Å; I390-R392 VanDerWaalsContact O-N 3.12Å
391I27.6Very low29.6Very low146 Ų146149.7 Ų149.775%0.74979%0.786SS**  trans-67.3109.1169.5-60.7174000107.6P389P389-I391 PolarHBondContact O-N 3.36Å
392R29.3Very low30Very low194 Ų194147 Ų14773%0.73278%0.782SS**  trans-68.6135.7173.6-82.7-171.9-111.8-136.4-2.4109.4I390 D394I390-R392 PolarHBondContact O-N 3.14Å; I390-R392 VanDerWaalsContact O-N 3.12Å; R392-D394 PolarHBondContact O-N 3.35Å
393Q34.2Very low30.1Very low183 Ų183155.3 Ų155.386%0.85580%0.798SS**G310 helixtrans-69.13.8-176.7-72.5-169.3-58.700114.6
394D33.7Very low30.3Very low135 Ų135157.9 Ų157.972%0.72280%0.802SS**G310 helixtrans-91.8-5.3-175.8-50.4-27.5000113R392R392-D394 PolarHBondContact O-N 3.35Å
395E30.6Very low30.6Very low173 Ų173155.6 Ų155.681%0.80879%0.794SS**G310 helixtrans-93.52.8179.6-76.7-174.3168.900115S397E395-S397 PolarHBondContact O-N 3.28Å
396V34.4Very low30.8Very low133 Ų133158.3 Ų158.381%0.80680%0.797SS**  trans-100.261.1175.3-166.60000110.6
397S32.2Very low30.9Very low99 Ų99160.5 Ų160.569%0.69280%0.798SS**  trans-156.184.8166.214.90000112.6E395E395-S397 PolarHBondContact O-N 3.28Å
398R29.1Very low31.2Very low209 Ų209158.4 Ų158.479%0.78979%0.791SS**  trans-161115.6143-122-175.4-162.7-153.56111.5D400R398-D400 IonicContact NH1-OD1 3.91Å
399P36.3Very low31.4Very low114 Ų114158.9 Ų158.974%0.7479%0.792SS**  trans-89.9103.6159.931-20.9000107.9I401P399-I401 PolarHBondContact O-N 3.04Å; P399-I401 VanDerWaalsContact O-N 3.15Å
400D35.5Very low31.6Very low133 Ų133162.4 Ų162.471%0.71180%0.798SS**  trans-77.4100168-74.7-30.4000108.5R398R398-D400 IonicContact NH1-OD1 3.91Å
401I26.6Very low31.6Very low151 Ų151162.8 Ų162.877%0.77480%0.798SS**  trans-85.3111.1159.1-65.4168.1000106.5P399P399-I401 PolarHBondContact O-N 3.04Å; P399-I401 VanDerWaalsContact O-N 3.15Å
402V31.7Very low32Very low132 Ų132164.3 Ų164.380%0.880%0.802SS**  trans-149.2115.2147.1-175.70000109.6
403R30.3Very low32.2Very low315 Ų315161.5 Ų161.5100%1.18981%0.808SS**  trans37.50156.8-70.5-175.1-176.5-176.61.2120.4

Retrieved 403 of 403 residues in 108.6 ms (Link to these results)

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