G4VKL5_SCHMA Loading...

Phosducin-like protein 3 (Viral iap-associated factor 1) (Viaf-1)

AlphaFold DB , UniProt , Accession G4VKL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 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
1M39.3Very low52.4Low240 Ų240129.5 Ų129.5100%1.18265%0.654SS**  0106.40-69.7171.3178.600105.5
2L39.1Very low54.1Low164 Ų164125.6 Ų125.686%0.85964%0.636SS**  trans-83.1125.9177.8-132.281.9000107.4P4L2-P4 WeakPolarHBondContact O-CD 3.46Å
3N45Very low55.8Low102 Ų102122.2 Ų122.255%0.54562%0.619SS.*  trans-68.7122.5-179.4-78.4-25.2000109.4N5 E6N3-N5 PolarHBondContact O-N 3.22Å; N3-E6 HydrophobicContact CB-CG 4.41Å; N3-E6 PolarHBondContact O-N 3.03Å
4P43.6Very low57.5Low108 Ų108116.1 Ų116.170%0.70159%0.589SS**THydrogen-bonded Turntrans-69-3.6-175.825.4-32.5000114.6L2L2-P4 WeakPolarHBondContact O-CD 3.46Å
5N51.2Low58.9Low154 Ų154112.2 Ų112.282%0.82456%0.564SS**THydrogen-bonded Turntrans-104.51.2177.8-83.311000114.2N3 D7N3-N5 PolarHBondContact O-N 3.22Å; N5-D7 PolarHBondContact O-N 3.11Å
6E46.5Very low59.8Low116 Ų116115.8 Ų115.854%0.54258%0.579SS.*  trans-75.1100.7169.8-79.6179.2-17800108.9N3 T8 N11N3-E6 HydrophobicContact CB-CG 4.41Å; N3-E6 PolarHBondContact O-N 3.03Å; E6-T8 PolarHBondContact O-N 3.45Å; E6-N11 PolarHBondContact O-ND2 3.06Å; E6-N11 VanDerWaalsContact O-ND2 3.11Å
7D52Low60.8Low88 Ų88118.2 Ų118.247%0.47159%0.585SS.*  trans-64.484.2171.4-99.6-15.3000108.6N5 R15 K23N5-D7 PolarHBondContact O-N 3.11Å; D7-R15 IonicContact OD1-NH2 2.97Å; D7-R15 PolarHBondContact OD1-NH2 3.41Å; D7-K23 IonicContact OD1-NZ 2.95Å; D7-K23 IonicContact OD2-NZ 3.4Å; D7-K23 PolarHBondContact OD2-NZ 2.73Å
8T56Low61.4Low66 Ų66115.1 Ų115.141%0.40559%0.588SS.*  trans-94.7148.816852.20000108.5E6 W10 N11E6-T8 PolarHBondContact O-N 3.45Å; T8-W10 PolarHBondContact O-N 3.5Å; T8-N11 PolarHBondContact O-N 2.84Å
9E66.8Low62.4Low169 Ų169115.2 Ų115.279%0.7959%0.589SS**Hα-helixtrans-50-26.6176.4-67.1-169.6152.600112.6I13E9-I13 VanDerWaalsContact O-CG1 3.32Å; E9-I13 WeakPolarHBondContact O-CG1 3.43Å; E9-I13 PolarHBondContact O-N 3.29Å
10W66.6Low63Low184 Ų184112.3 Ų112.370%0.69757%0.574SS**Hα-helixtrans-62-42.3173.7-105.887.9000114.2T8 D12 I13 L14T8-W10 PolarHBondContact O-N 3.5Å; W10-D12 VanDerWaalsContact C-N 3.33Å; W10-D12 PolarHBondContact O-N 2.97Å; W10-I13 PolarHBondContact O-N 3.11Å; W10-L14 HydrophobicContact CE3-CD1 4.19Å; W10-L14 HydrophobicContact CE3-CG 4.32Å; W10-L14 HydrophobicContact CZ3-CD2 4.49Å; W10-L14 VanDerWaalsContact O-CG 3.3Å; W10-L14 WeakPolarHBondContact O-CG 3.38Å; W10-L14 PolarHBondContact O-N 2.85Å; W10-L14 VanDerWaalsContact O-N 3.11Å
11N70Confident63.2Low33 Ų33111.7 Ų111.718%0.17658%0.578CS.*Hα-helixtrans-68.3-35.1-179.2-80.6-10000111.6E6 T8 L14 R15E6-N11 PolarHBondContact O-ND2 3.06Å; E6-N11 VanDerWaalsContact O-ND2 3.11Å; T8-N11 PolarHBondContact O-N 2.84Å; N11-L14 PolarHBondContact O-N 2.9Å; N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 3.28Å
12D73.1Confident64.5Low83 Ų83106 Ų10644%0.44456%0.559SS.*Hα-helixtrans-70.9-38.1177.4-73.7-18.6000112.3W10 L14 R15 Q16W10-D12 VanDerWaalsContact C-N 3.33Å; W10-D12 PolarHBondContact O-N 2.97Å; D12-L14 VanDerWaalsContact C-N 3.28Å; D12-L14 PolarHBondContact O-N 3.42Å; D12-R15 PolarHBondContact O-N 3.02Å; D12-R15 IonicContact OD1-NE 3.95Å; D12-R15 PolarHBondContact OD1-NE 3.19Å; D12-Q16 WeakPolarHBondContact O-CB 3.3Å; D12-Q16 PolarHBondContact O-N 3.47Å
13I76.3Confident65.6Low81 Ų81103.7 Ų103.742%0.41554%0.542SS..Hα-helixtrans-61.5-39.4171.6-65.1165.1000110.6E9 W10 Q16 K17E9-I13 VanDerWaalsContact O-CG1 3.32Å; E9-I13 WeakPolarHBondContact O-CG1 3.43Å; E9-I13 PolarHBondContact O-N 3.29Å; W10-I13 PolarHBondContact O-N 3.11Å; I13-Q16 PolarHBondContact O-N 2.93Å; I13-K17 WeakPolarHBondContact O-CB 3.32Å; I13-K17 PolarHBondContact O-N 2.91Å
14L79.4Confident65.9Low38 Ų38107.8 Ų107.820%0.19956%0.555CS.*Hα-helixtrans-69.5-36.5177.3-68.7172.2000112.8W10 N11 D12 G18 I19 L20W10-L14 HydrophobicContact CE3-CD1 4.19Å; W10-L14 HydrophobicContact CE3-CG 4.32Å; W10-L14 HydrophobicContact CZ3-CD2 4.49Å; W10-L14 VanDerWaalsContact O-CG 3.3Å; W10-L14 WeakPolarHBondContact O-CG 3.38Å; W10-L14 PolarHBondContact O-N 2.85Å; W10-L14 VanDerWaalsContact O-N 3.11Å; N11-L14 PolarHBondContact O-N 2.9Å; D12-L14 VanDerWaalsContact C-N 3.28Å; D12-L14 PolarHBondContact O-N 3.42Å; L14-G18 PolarHBondContact O-N 3.28Å; L14-I19 HydrophobicContact CD2-CB 4.35Å; L14-I19 HydrophobicContact CD2-CD1 3.76Å; L14-I19 HydrophobicContact CD2-CG2 4.41Å; L14-I19 PolarHBondContact O-N 3.43Å; L14-L20 HydrophobicContact CB-CD1 3.54Å; L14-L20 HydrophobicContact CD1-CD1 3.73Å; L14-L20 HydrophobicContact CG-CD1 4.26Å; L14-L20 PolarHBondContact O-N 2.83Å
15R79.6Confident66.1Low57 Ų57109.9 Ų109.922%0.21556%0.559CS.*Hα-helixtrans-65.7-43.2171.2-71.7-175.5-125.1-93.27.5111.2D7 N11 D12 K17 G18 L20D7-R15 IonicContact OD1-NH2 2.97Å; D7-R15 PolarHBondContact OD1-NH2 3.41Å; N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 3.28Å; D12-R15 PolarHBondContact O-N 3.02Å; D12-R15 IonicContact OD1-NE 3.95Å; D12-R15 PolarHBondContact OD1-NE 3.19Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.37Å; R15-G18 PolarHBondContact O-N 3.3Å; R15-L20 HydrophobicContact CG-CB 3.86Å
16Q72.9Confident65.6Low170 Ų170110.4 Ų110.479%0.79456%0.556SS**Hα-helixtrans-64.5-36.9177.8-169.5-177.942.600112.2D12 I13 G18D12-Q16 WeakPolarHBondContact O-CB 3.3Å; D12-Q16 PolarHBondContact O-N 3.47Å; I13-Q16 PolarHBondContact O-N 2.93Å; Q16-G18 PolarHBondContact O-N 3.41Å
17K76.9Confident65.4Low156 Ų156110.3 Ų110.368%0.67857%0.565SS**THydrogen-bonded Turntrans-75.9-2.3172.9-78.3-171.1172-178.80114.1I13 R15 I19I13-K17 WeakPolarHBondContact O-CB 3.32Å; I13-K17 PolarHBondContact O-N 2.91Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.37Å; K17-I19 VanDerWaalsContact C-N 3.29Å; K17-I19 HydrophobicContact CB-CD1 4.19Å; K17-I19 HydrophobicContact CB-CG1 4.28Å; K17-I19 PolarHBondContact O-N 3.21Å
18G71.3Confident65.2Low63 Ų63114.8 Ų114.865%0.64958%0.583SS**THydrogen-bonded Turntrans72.516.7179.200000114.9L14 R15 Q16L14-G18 PolarHBondContact O-N 3.28Å; R15-G18 PolarHBondContact O-N 3.3Å; Q16-G18 PolarHBondContact O-N 3.41Å
19I80Confident64.6Low117 Ų117119.9 Ų119.960%0.660%0.603SS**SBendtrans-81.5-40.5178.3-62.1169.5000110.3L14 K17L14-I19 HydrophobicContact CD2-CB 4.35Å; L14-I19 HydrophobicContact CD2-CD1 3.76Å; L14-I19 HydrophobicContact CD2-CG2 4.41Å; L14-I19 PolarHBondContact O-N 3.43Å; K17-I19 VanDerWaalsContact C-N 3.29Å; K17-I19 HydrophobicContact CB-CD1 4.19Å; K17-I19 HydrophobicContact CB-CG1 4.28Å; K17-I19 PolarHBondContact O-N 3.21Å
20L74.4Confident63.7Low57 Ų57120.7 Ų120.730%0.29861%0.606SS.*SBendtrans-94.5145.7170-96.7103.3000110.9L14 R15L14-L20 HydrophobicContact CB-CD1 3.54Å; L14-L20 HydrophobicContact CD1-CD1 3.73Å; L14-L20 HydrophobicContact CG-CD1 4.26Å; L14-L20 PolarHBondContact O-N 2.83Å; R15-L20 HydrophobicContact CG-CB 3.86Å
21P67.8Low62.6Low99 Ų99119 Ų11964%0.64361%0.61SS**PPolyproline II helixtrans-59146172.424.5-32.3000110.9K23P21-K23 PolarHBondContact O-N 2.89Å
22P66.4Low61.5Low121 Ų121122.5 Ų122.579%0.78664%0.635SS**PPolyproline II helixtrans-57.6136.1178.722.6-31.5000109.9K24P22-K24 PolarHBondContact O-N 3.45Å
23K61.9Low60.4Low115 Ų115123.8 Ų123.850%0.565%0.647SS.*PPolyproline II helixtrans-55.3124.8179.6-170.8171.9-179.9175.70107.4D7 P21 I25D7-K23 IonicContact OD1-NZ 2.95Å; D7-K23 IonicContact OD2-NZ 3.4Å; D7-K23 PolarHBondContact OD2-NZ 2.73Å; P21-K23 PolarHBondContact O-N 2.89Å; K23-I25 VanDerWaalsContact C-N 3.35Å; K23-I25 PolarHBondContact O-N 3.4Å
24K51.5Low59.2Low188 Ų188125.2 Ų125.282%0.81766%0.662SS**  trans-59.4105.6167.8-125178.2-178.5-175.70104.9P22 E26P22-K24 PolarHBondContact O-N 3.45Å; K24-E26 PolarHBondContact O-N 2.94Å
25I48.5Very low58Low153 Ų153127.6 Ų127.679%0.78568%0.68SS**  trans-66.793.9165-59.5156.8000102.4K23K23-I25 VanDerWaalsContact C-N 3.35Å; K23-I25 PolarHBondContact O-N 3.4Å
26E39.9Very low57.3Low165 Ų165131 Ų13177%0.77170%0.702SS**  trans-54.2122.3159.3-70.6-175.6164.400104.2K24 E28K24-E26 PolarHBondContact O-N 2.94Å; E26-E28 VanDerWaalsContact C-N 3.35Å; E26-E28 PolarHBondContact O-N 2.72Å
27P43.1Very low57.1Low113 Ų113125.3 Ų125.373%0.73468%0.682SS**  trans-55.1110.8-178.322.4-30.5000105.1E29P27-E29 VanDerWaalsContact C-N 3.32Å; P27-E29 PolarHBondContact O-N 2.92Å
28E46.7Very low56.9Low182 Ų182123.2 Ų123.285%0.8567%0.672SS**  trans-49.3109.3170.5-165156.4-161.900103.4E26 E30E26-E28 VanDerWaalsContact C-N 3.35Å; E26-E28 PolarHBondContact O-N 2.72Å; E28-E30 PolarHBondContact O-N 2.8Å
29E44.6Very low57Low174 Ų174122.1 Ų122.181%0.81366%0.655SS**  trans-53.2104177.6-76.6-172.3151.200103.9P27 L31P27-E29 VanDerWaalsContact C-N 3.32Å; P27-E29 PolarHBondContact O-N 2.92Å; E29-L31 PolarHBondContact O-N 2.84Å
30E46.9Very low56.9Low185 Ų185120.2 Ų120.286%0.86465%0.645SS**  trans-6493.5-176.6-168.4176.7-161.400104E28 P32E28-E30 PolarHBondContact O-N 2.8Å; E30-P32 VanDerWaalsContact O-N 3.11Å
31L43.2Very low57.2Low149 Ų149117.8 Ų117.878%0.7863%0.632SS**PPolyproline II helixtrans-50.6126.1178.3-76.2169.1000104.8E29E29-L31 PolarHBondContact O-N 2.84Å
32P48.2Very low57.7Low106 Ų106118.5 Ų118.569%0.68863%0.631SS**PPolyproline II helixtrans-50.6136.9-177.521.4-32.5000107.6E30E30-P32 VanDerWaalsContact O-N 3.11Å
33P48.9Very low58.6Low110 Ų110120.9 Ų120.971%0.71463%0.629SS**PPolyproline II helixtrans-49.8134.4-174.520.4-32.5000108.2
34P50.4Low59.7Low112 Ų112117.5 Ų117.573%0.72762%0.616SS**PPolyproline II helixtrans-51.4133.9-179.421.1-31.6000107.7D36P34-D36 PolarHBondContact O-N 2.69Å
35P54.3Low61.3Low87 Ų87112.1 Ų112.157%0.56560%0.599SS**PPolyproline II helixtrans-53132.7-174.717.6-28.5000109S37 I40P35-S37 PolarHBondContact O-N 2.82Å; P35-I40 HydrophobicContact CB-CD1 4.39Å; P35-I40 HydrophobicContact CB-CG1 4.2Å; P35-I40 HydrophobicContact CG-CD1 3.97Å; P35-I40 HydrophobicContact CG-CG1 4.21Å
36D66.4Low62.9Low128 Ų128108.1 Ų108.168%0.68458%0.584SS**  trans-44.2119.5175.7-92.4-28.8000107.6P34 K38 S39 I40P34-D36 PolarHBondContact O-N 2.69Å; D36-K38 CarbonylContact O-C 3.59Å; D36-K38 PolarHBondContact O-N 2.82Å; D36-S39 WeakPolarHBondContact O-CA 3.34Å; D36-S39 WeakPolarHBondContact O-CB 3.35Å; D36-S39 PolarHBondContact O-N 2.88Å; D36-S39 PolarHBondContact O-OG 3.23Å; D36-I40 PolarHBondContact O-N 3.44Å
37S68.3Low65.1Low52 Ų52105.9 Ų105.936%0.36458%0.578SS.*Hα-helixtrans-53.2-25.3-175.849.70000112.1P35 I40 L41 F68P35-S37 PolarHBondContact O-N 2.82Å; S37-I40 PolarHBondContact O-N 3Å; S37-L41 PolarHBondContact O-N 3.37Å; S37-F68 VanDerWaalsContact C-CE1 3.4Å; S37-F68 WeakPolarHBondContact O-CE1 3.44Å; S37-F68 VanDerWaalsContact OG-CD2 3.3Å; S37-F68 WeakPolarHBondContact OG-CD2 3.41Å; S37-F68 VanDerWaalsContact OG-CE1 3.29Å; S37-F68 WeakPolarHBondContact OG-CE1 3.44Å; S37-F68 WeakPolarHBondContact OG-CE2 3.23Å; S37-F68 WeakPolarHBondContact OG-CZ 3.19Å
38K71.3Confident67.2Low111 Ų111104.6 Ų104.648%0.48356%0.562SS.*Hα-helixtrans-63.1-46.8171.1-61.6176.1-174.2162.50112.9D36 I40 L41 D42 F68D36-K38 CarbonylContact O-C 3.59Å; D36-K38 PolarHBondContact O-N 2.82Å; K38-I40 PolarHBondContact O-N 3.2Å; K38-L41 PolarHBondContact O-N 3.26Å; K38-D42 PolarHBondContact O-N 3.4Å; K38-F68 HydrophobicContact CB-CZ 4.12Å; K38-F68 HydrophobicContact CD-CE2 4.48Å; K38-F68 HydrophobicContact CG-CE2 3.49Å; K38-F68 VanDerWaalsContact CG-CE2 3.49Å; K38-F68 HydrophobicContact CG-CZ 3.46Å; K38-F68 VanDerWaalsContact CG-CZ 3.46Å
39S74.3Confident69.1Low40 Ų4096.2 Ų96.228%0.2852%0.523SS..Hα-helixtrans-64.7-24.8179.578.70000112.7D36 K43D36-S39 WeakPolarHBondContact O-CA 3.34Å; D36-S39 WeakPolarHBondContact O-CB 3.35Å; D36-S39 PolarHBondContact O-N 2.88Å; D36-S39 PolarHBondContact O-OG 3.23Å; S39-K43 WeakPolarHBondContact O-CD 3.43Å; S39-K43 VanDerWaalsContact O-CG 3.25Å; S39-K43 WeakPolarHBondContact O-CG 3.25Å
40I77.8Confident71.1Confident77 Ų7791.3 Ų91.340%0.39550%0.502SS..Hα-helixtrans-73-50.9174.5-52.5175.4000109P35 D36 S37 K38 D42 K43 L44P35-I40 HydrophobicContact CB-CD1 4.39Å; P35-I40 HydrophobicContact CB-CG1 4.2Å; P35-I40 HydrophobicContact CG-CD1 3.97Å; P35-I40 HydrophobicContact CG-CG1 4.21Å; D36-I40 PolarHBondContact O-N 3.44Å; S37-I40 PolarHBondContact O-N 3Å; K38-I40 PolarHBondContact O-N 3.2Å; I40-D42 VanDerWaalsContact C-N 3.32Å; I40-D42 PolarHBondContact O-N 3.24Å; I40-K43 PolarHBondContact O-N 3.38Å; I40-K43 VanDerWaalsContact O-N 3.1Å; I40-L44 PolarHBondContact O-N 3.1Å
41L80.1Confident73.1Confident7 Ų788.5 Ų88.54%0.03749%0.489CS..Hα-helixtrans-64-33.3-179.5-66.2-178000113.4S37 K38 K43 L44 L49 K52 F68 L69 Y72S37-L41 PolarHBondContact O-N 3.37Å; K38-L41 PolarHBondContact O-N 3.26Å; L41-K43 PolarHBondContact O-N 3.06Å; L41-L44 HydrophobicContact CD2-CD1 3.69Å; L41-L44 PolarHBondContact O-N 2.85Å; L41-L49 HydrophobicContact CD2-CD1 4.05Å; L41-K52 HydrophobicContact CD2-CD 3.93Å; L41-F68 HydrophobicContact CD1-CD1 4.07Å; L41-F68 HydrophobicContact CD1-CE1 3.3Å; L41-F68 HydrophobicContact CD1-CZ 3.98Å; L41-F68 HydrophobicContact CG-CE1 3.95Å; L41-L69 HydrophobicContact CD1-CD1 3.83Å; L41-L69 HydrophobicContact CD2-CD1 4.12Å; L41-Y72 HydrophobicContact CB-CD1 4.2Å; L41-Y72 HydrophobicContact CB-CD2 4.29Å; L41-Y72 HydrophobicContact CB-CE1 3.86Å; L41-Y72 HydrophobicContact CB-CE2 3.98Å; L41-Y72 HydrophobicContact CB-CG 4.39Å; L41-Y72 HydrophobicContact CD1-CD1 3.5Å; L41-Y72 VanDerWaalsContact CD1-CD1 3.5Å; L41-Y72 HydrophobicContact CD1-CD2 3.96Å; L41-Y72 HydrophobicContact CD1-CE1 4.04Å; L41-Y72 HydrophobicContact CD1-CE2 4.47Å; L41-Y72 HydrophobicContact CD1-CG 3.44Å; L41-Y72 VanDerWaalsContact CD1-CG 3.44Å; L41-Y72 HydrophobicContact CG-CD1 4.43Å
42D79.4Confident75.2Confident114 Ų11484.1 Ų84.161%0.6146%0.464SS*.THydrogen-bonded Turntrans-68.1-18.1176.2-73.9-25.2000113.2K38 I40 Y72K38-D42 PolarHBondContact O-N 3.4Å; I40-D42 VanDerWaalsContact C-N 3.32Å; I40-D42 PolarHBondContact O-N 3.24Å; D42-Y72 PolarHBondContact OD1-OH 3.06Å
43K84.5Confident77.2Confident170 Ų17079.8 Ų79.874%0.73943%0.434SS*.THydrogen-bonded Turntrans-97.3-15.4-179.8-69.6174.5-173.4-175.90113.7S39 I40 L41S39-K43 WeakPolarHBondContact O-CD 3.43Å; S39-K43 VanDerWaalsContact O-CG 3.25Å; S39-K43 WeakPolarHBondContact O-CG 3.25Å; I40-K43 PolarHBondContact O-N 3.38Å; I40-K43 VanDerWaalsContact O-N 3.1Å; L41-K43 PolarHBondContact O-N 3.06Å
44L85.1Confident79.1Confident44 Ų4479 Ų7923%0.2342%0.424CS..SBendtrans-65.4147.3176.9-65.4179.1000110.2I40 L41 E48 L49 K52I40-L44 PolarHBondContact O-N 3.1Å; L41-L44 HydrophobicContact CD2-CD1 3.69Å; L41-L44 PolarHBondContact O-N 2.85Å; L44-E48 HydrophobicContact CB-CB 4.13Å; L44-E48 HydrophobicContact CD2-CB 4.15Å; L44-L49 HydrophobicContact CB-CB 4.34Å; L44-L49 HydrophobicContact CD1-CD1 4.44Å; L44-K52 HydrophobicContact CD1-CD 3.95Å
45T85.2Confident81Confident76 Ų7676.8 Ų76.847%0.46641%0.406SS..  trans-66.2168.2167.962.70000110.9D47 E48 L49T45-D47 VanDerWaalsContact C-N 3.27Å; T45-D47 PolarHBondContact O-N 3.41Å; T45-E48 WeakPolarHBondContact CB-OE2 3.49Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.15Å; T45-E48 PolarHBondContact N-OE2 3.2Å; T45-E48 WeakPolarHBondContact OG1-CB 3.32Å; T45-E48 VanDerWaalsContact OG1-CG 3.23Å; T45-E48 WeakPolarHBondContact OG1-CG 3.46Å; T45-E48 PolarHBondContact OG1-N 2.66Å; T45-E48 PolarHBondContact OG1-OE2 2.96Å; T45-L49 WeakPolarHBondContact O-CB 3.22Å; T45-L49 PolarHBondContact O-N 3.43Å; T45-L49 VanDerWaalsContact O-N 3.13Å
46S82.5Confident82.6Confident68 Ų6874.1 Ų74.148%0.47639%0.387SS..Hα-helixtrans-58.8-43.6176.1-161.60000111.2L49 D50S46-L49 PolarHBondContact O-N 3.33Å; S46-D50 WeakPolarHBondContact O-CB 3.49Å; S46-D50 VanDerWaalsContact O-CG 3.22Å; S46-D50 PolarHBondContact O-N 3.18Å
47D85.5Confident83.6Confident119 Ų11974.8 Ų74.864%0.63639%0.385SS*.Hα-helixtrans-67.7-46.4-175.3-56.1-17.9000111.2T45 L49 D50 E51T45-D47 VanDerWaalsContact C-N 3.27Å; T45-D47 PolarHBondContact O-N 3.41Å; D47-L49 VanDerWaalsContact C-N 3.27Å; D47-L49 PolarHBondContact O-N 3.35Å; D47-D50 PolarHBondContact O-N 2.93Å; D47-E51 WeakPolarHBondContact O-CG 3.33Å; D47-E51 PolarHBondContact O-N 3.31Å
48E87.6Confident84.7Confident86 Ų8678 Ų7840%0.40240%0.398SS..Hα-helixtrans-62.8-34176.5-70.1168.4133.100112.8L44 T45 K52L44-E48 HydrophobicContact CB-CB 4.13Å; L44-E48 HydrophobicContact CD2-CB 4.15Å; T45-E48 WeakPolarHBondContact CB-OE2 3.49Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.15Å; T45-E48 PolarHBondContact N-OE2 3.2Å; T45-E48 WeakPolarHBondContact OG1-CB 3.32Å; T45-E48 VanDerWaalsContact OG1-CG 3.23Å; T45-E48 WeakPolarHBondContact OG1-CG 3.46Å; T45-E48 PolarHBondContact OG1-N 2.66Å; T45-E48 PolarHBondContact OG1-OE2 2.96Å; E48-K52 PolarHBondContact O-N 3.13Å
49L86.5Confident85.3Confident5 Ų575.4 Ų75.43%0.02640%0.404CS..Hα-helixtrans-73.4-36.8177.8-177.362.2000111.4L41 L44 T45 S46 D47 K52 F53 Y72L41-L49 HydrophobicContact CD2-CD1 4.05Å; L44-L49 HydrophobicContact CB-CB 4.34Å; L44-L49 HydrophobicContact CD1-CD1 4.44Å; T45-L49 WeakPolarHBondContact O-CB 3.22Å; T45-L49 PolarHBondContact O-N 3.43Å; T45-L49 VanDerWaalsContact O-N 3.13Å; S46-L49 PolarHBondContact O-N 3.33Å; D47-L49 VanDerWaalsContact C-N 3.27Å; D47-L49 PolarHBondContact O-N 3.35Å; L49-K52 PolarHBondContact O-N 3.01Å; L49-F53 HydrophobicContact CD1-CD2 4.43Å; L49-F53 HydrophobicContact CD1-CE2 3.82Å; L49-F53 HydrophobicContact CD1-CZ 3.99Å; L49-F53 HydrophobicContact CD2-CE2 4.02Å; L49-F53 HydrophobicContact CG-CD2 4.09Å; L49-F53 HydrophobicContact CG-CE2 3.55Å; L49-F53 HydrophobicContact CG-CZ 4.22Å; L49-F53 WeakPolarHBondContact O-CD2 3.46Å; L49-F53 PolarHBondContact O-N 3.33Å; L49-F53 VanDerWaalsContact O-N 3.1Å; L49-Y72 HydrophobicContact CD1-CD1 4.33Å; L49-Y72 HydrophobicContact CD1-CE1 3.79Å; L49-Y72 HydrophobicContact CD2-CE1 3.94Å
50D86.7Confident85.8Confident72 Ų7280.4 Ų80.439%0.38542%0.423SS..Hα-helixtrans-66.6-43.4174.9-70-19.9000110.5S46 D47 K52 F53 D54S46-D50 WeakPolarHBondContact O-CB 3.49Å; S46-D50 VanDerWaalsContact O-CG 3.22Å; S46-D50 PolarHBondContact O-N 3.18Å; D47-D50 PolarHBondContact O-N 2.93Å; D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 3.39Å; D50-F53 PolarHBondContact O-N 3.03Å; D50-D54 PolarHBondContact O-N 3Å
51E89.3Confident86Confident125 Ų12577.7 Ų77.758%0.58441%0.409SS*.Hα-helixtrans-55.3-43172.2-73.8177.4-172.500112.2D47 F53 D54 L55D47-E51 WeakPolarHBondContact O-CG 3.33Å; D47-E51 PolarHBondContact O-N 3.31Å; E51-F53 VanDerWaalsContact C-N 3.34Å; E51-F53 PolarHBondContact O-N 3Å; E51-D54 PolarHBondContact O-N 3.47Å; E51-L55 WeakPolarHBondContact O-CG 3.5Å; E51-L55 PolarHBondContact O-N 3.1Å
52K87.7Confident86.1Confident58 Ų5883.1 Ų83.125%0.25244%0.438SS..Hα-helixtrans-63.3-39.4175.3-81.5-155.3163.5-137.80112.7L41 L44 E48 L49 D50 D54 L56 I61 E65 L69L41-K52 HydrophobicContact CD2-CD 3.93Å; L44-K52 HydrophobicContact CD1-CD 3.95Å; E48-K52 PolarHBondContact O-N 3.13Å; L49-K52 PolarHBondContact O-N 3.01Å; D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 3.39Å; K52-D54 VanDerWaalsContact C-N 3.35Å; K52-L56 PolarHBondContact O-N 3.24Å; K52-L56 VanDerWaalsContact O-N 3.12Å; K52-I61 WeakPolarHBondContact O-CD1 3.05Å; K52-E65 IonicContact NZ-OE1 2.73Å; K52-E65 PolarHBondContact NZ-OE1 3.3Å; K52-L69 HydrophobicContact CB-CD2 4.02Å; K52-L69 WeakPolarHBondContact O-CD2 3.34Å
53F89.2Confident86.1Confident15 Ų1579.6 Ų79.67%0.06643%0.429CS..Hα-helixtrans-68.5-35.3177.1-72.4-48.8000112.4L49 D50 E51 L56 E57 L69 Y72 R73L49-F53 HydrophobicContact CD1-CD2 4.43Å; L49-F53 HydrophobicContact CD1-CE2 3.82Å; L49-F53 HydrophobicContact CD1-CZ 3.99Å; L49-F53 HydrophobicContact CD2-CE2 4.02Å; L49-F53 HydrophobicContact CG-CD2 4.09Å; L49-F53 HydrophobicContact CG-CE2 3.55Å; L49-F53 HydrophobicContact CG-CZ 4.22Å; L49-F53 WeakPolarHBondContact O-CD2 3.46Å; L49-F53 PolarHBondContact O-N 3.33Å; L49-F53 VanDerWaalsContact O-N 3.1Å; D50-F53 PolarHBondContact O-N 3.03Å; E51-F53 VanDerWaalsContact C-N 3.34Å; E51-F53 PolarHBondContact O-N 3Å; F53-L56 WeakPolarHBondContact O-CB 3.37Å; F53-L56 PolarHBondContact O-N 3.2Å; F53-E57 PolarHBondContact O-N 3.31Å; F53-L69 HydrophobicContact CD1-CD1 3.83Å; F53-L69 HydrophobicContact CD1-CD2 4.09Å; F53-L69 HydrophobicContact CD1-CG 3.77Å; F53-L69 HydrophobicContact CE1-CD1 3.39Å; F53-L69 HydrophobicContact CE1-CD2 4.45Å; F53-L69 HydrophobicContact CE1-CG 3.66Å; F53-L69 HydrophobicContact CZ-CD1 4.09Å; F53-Y72 AromaticContact CZ-CD1 3.99Å; F53-Y72 HydrophobicContact CZ-CD1 3.99Å; F53-Y72 HydrophobicContact CZ-CE1 4.36Å; F53-R73 HydrophobicContact CD1-CB 4.25Å; F53-R73 HydrophobicContact CD1-CG 4.2Å; F53-R73 HydrophobicContact CE1-CB 3.46Å; F53-R73 VanDerWaalsContact CE1-CB 3.46Å; F53-R73 HydrophobicContact CE1-CG 3.75Å; F53-R73 HydrophobicContact CZ-CB 3.86Å; F53-R73 HydrophobicContact CZ-CG 3.97Å
54D90.1Very high86Confident93 Ų9378.6 Ų78.650%0.49743%0.427SS..Hα-helixtrans-63.6-46.7174.3-68.7-14.1000110.6D50 E51 K52 L56 E57 D58D50-D54 PolarHBondContact O-N 3Å; E51-D54 PolarHBondContact O-N 3.47Å; K52-D54 VanDerWaalsContact C-N 3.35Å; D54-L56 PolarHBondContact O-N 3.3Å; D54-E57 WeakPolarHBondContact O-CB 3.45Å; D54-E57 PolarHBondContact O-N 2.91Å; D54-D58 PolarHBondContact O-N 3.28Å
55L89.5Confident85.9Confident66 Ų6680.4 Ų80.435%0.34643%0.434SS..Hα-helixtrans-59.9-32.5174.9-67.7172.9000113E51 G59 E60 I61E51-L55 WeakPolarHBondContact O-CG 3.5Å; E51-L55 PolarHBondContact O-N 3.1Å; L55-G59 PolarHBondContact O-N 3.12Å; L55-E60 HydrophobicContact CB-CB 4.42Å; L55-E60 HydrophobicContact CD2-CB 4.05Å; L55-E60 HydrophobicContact CD2-CG 4.39Å; L55-E60 WeakPolarHBondContact CD2-OE2 3.08Å; L55-E60 PolarHBondContact O-N 2.76Å; L55-I61 HydrophobicContact CB-CD1 3.75Å; L55-I61 HydrophobicContact CB-CG1 3.72Å; L55-I61 PolarHBondContact O-N 3.4Å
56L88.5Confident85.9Confident31 Ų3178 Ų7816%0.16242%0.422CS..Hα-helixtrans-70.2-38.8173.1176141.1000112.2K52 F53 D54 G59 I61 A66 L69 E70K52-L56 PolarHBondContact O-N 3.24Å; K52-L56 VanDerWaalsContact O-N 3.12Å; F53-L56 WeakPolarHBondContact O-CB 3.37Å; F53-L56 PolarHBondContact O-N 3.2Å; D54-L56 PolarHBondContact O-N 3.3Å; L56-G59 PolarHBondContact O-N 2.88Å; L56-I61 HydrophobicContact CB-CD1 4.23Å; L56-A66 HydrophobicContact CD1-CB 4.41Å; L56-A66 WeakPolarHBondContact CD1-O 3.3Å; L56-L69 HydrophobicContact CB-CD2 3.79Å; L56-L69 HydrophobicContact CD1-CB 3.65Å; L56-L69 HydrophobicContact CD1-CD2 3.73Å; L56-L69 HydrophobicContact CD1-CG 3.77Å; L56-L69 HydrophobicContact CG-CD2 4.4Å; L56-E70 HydrophobicContact CD1-CB 4.4Å
57E87.4Confident86Confident141 Ų14182.4 Ų82.466%0.65943%0.428SS*.Hα-helixtrans-68.1-39.6176.8-175.7161.9-167.400111.7F53 D54 G59F53-E57 PolarHBondContact O-N 3.31Å; D54-E57 WeakPolarHBondContact O-CB 3.45Å; D54-E57 PolarHBondContact O-N 2.91Å; E57-G59 PolarHBondContact O-N 2.77Å
58D89.6Confident86Confident119 Ų11978.4 Ų78.464%0.63641%0.405SS*.THydrogen-bonded Turntrans-72.4-11.1175.1-71.8-22000113.1D54 E60D54-D58 PolarHBondContact O-N 3.28Å; D58-E60 VanDerWaalsContact C-N 3.3Å; D58-E60 HydrophobicContact CB-CG 4.09Å
59G84.9Confident86Confident58 Ų5874.4 Ų74.460%0.59839%0.386SS*.THydrogen-bonded Turntrans73.520.5-179.400000113.8L55 L56 E57 I61L55-G59 PolarHBondContact O-N 3.12Å; L56-G59 PolarHBondContact O-N 2.88Å; E57-G59 PolarHBondContact O-N 2.77Å; G59-I61 VanDerWaalsContact C-N 3.3Å
60E85.1Confident86Confident144 Ų14478.4 Ų78.467%0.67341%0.405SS*.  trans-79-14.5176.3-62.2-161.7175.500112.8L55 D58L55-E60 HydrophobicContact CB-CB 4.42Å; L55-E60 HydrophobicContact CD2-CB 4.05Å; L55-E60 HydrophobicContact CD2-CG 4.39Å; L55-E60 WeakPolarHBondContact CD2-OE2 3.08Å; L55-E60 PolarHBondContact O-N 2.76Å; D58-E60 VanDerWaalsContact C-N 3.3Å; D58-E60 HydrophobicContact CB-CG 4.09Å
61I82.6Confident86Confident20 Ų2079.9 Ų79.910%0.10341%0.41CS..SBendtrans-96.2134.5174.1-59.2-176.5000110K52 L55 L56 G59 E65 A66 L69K52-I61 WeakPolarHBondContact O-CD1 3.05Å; L55-I61 HydrophobicContact CB-CD1 3.75Å; L55-I61 HydrophobicContact CB-CG1 3.72Å; L55-I61 PolarHBondContact O-N 3.4Å; L56-I61 HydrophobicContact CB-CD1 4.23Å; G59-I61 VanDerWaalsContact C-N 3.3Å; I61-E65 HydrophobicContact CG2-CB 3.47Å; I61-E65 VanDerWaalsContact CG2-CB 3.47Å; I61-E65 HydrophobicContact CG2-CG 3.44Å; I61-E65 VanDerWaalsContact CG2-CG 3.44Å; I61-A66 HydrophobicContact CG2-CB 4.17Å; I61-L69 HydrophobicContact CD1-CD2 3.72Å
62D81.8Confident85.9Confident121 Ų12175.4 Ų75.465%0.64739%0.388SS*.  trans-93.3162.3-174.275.130.6000115.1E64 E65 A66D62-E64 PolarHBondContact O-N 2.98Å; D62-E65 PolarHBondContact O-N 2.94Å; D62-A66 WeakPolarHBondContact O-CB 3.29Å; D62-A66 PolarHBondContact O-N 2.91Å
63G79.4Confident85.8Confident41 Ų4177 Ų7742%0.42339%0.392SS..Hα-helixtrans15.8-88.9165.600000117.9R67G63-R67 VanDerWaalsContact O-CG 3.31Å; G63-R67 WeakPolarHBondContact O-CG 3.46Å; G63-R67 PolarHBondContact O-N 3.31Å; G63-R67 PolarHBondContact O-NE 3.24Å
64E81.8Confident85.7Confident149 Ų14985.5 Ų85.570%0.69642%0.423SS*.Hα-helixtrans-76.3-41.1-172-174.6166.6-146.100112.6D62 A66 R67 F68D62-E64 PolarHBondContact O-N 2.98Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-R67 PolarHBondContact O-N 3.41Å; E64-F68 VanDerWaalsContact O-CB 3.29Å; E64-F68 WeakPolarHBondContact O-CB 3.48Å; E64-F68 PolarHBondContact O-N 2.93Å
65E82.2Confident85.5Confident81 Ų8185.5 Ų85.538%0.37942%0.419SS..Hα-helixtrans-66.4-39.8177.5-172.2176.3-173.300110.9K52 I61 D62 F68 L69K52-E65 IonicContact NZ-OE1 2.73Å; K52-E65 PolarHBondContact NZ-OE1 3.3Å; I61-E65 HydrophobicContact CG2-CB 3.47Å; I61-E65 VanDerWaalsContact CG2-CB 3.47Å; I61-E65 HydrophobicContact CG2-CG 3.44Å; I61-E65 VanDerWaalsContact CG2-CG 3.44Å; D62-E65 PolarHBondContact O-N 2.94Å; E65-F68 PolarHBondContact O-N 3.02Å; E65-L69 VanDerWaalsContact O-CB 3.3Å; E65-L69 WeakPolarHBondContact O-CB 3.3Å; E65-L69 PolarHBondContact O-N 2.95Å
66A85.2Confident85.3Confident25 Ų2587 Ų8721%0.20742%0.42CS..Hα-helixtrans-62.4-46176.100000111.8L56 I61 D62 E64 F68 L69 E70L56-A66 HydrophobicContact CD1-CB 4.41Å; L56-A66 WeakPolarHBondContact CD1-O 3.3Å; I61-A66 HydrophobicContact CG2-CB 4.17Å; D62-A66 WeakPolarHBondContact O-CB 3.29Å; D62-A66 PolarHBondContact O-N 2.91Å; E64-A66 VanDerWaalsContact C-N 3.35Å; A66-F68 VanDerWaalsContact C-N 3.32Å; A66-F68 PolarHBondContact O-N 3.49Å; A66-L69 PolarHBondContact O-N 2.81Å; A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 PolarHBondContact O-N 2.83Å
67R85.9Confident85.1Confident161 Ų16189 Ų8961%0.60843%0.431SS*.Hα-helixtrans-60.1-43.9174.4-76.6-172.6-64-99.63.7111.5G63 E64 E71G63-R67 VanDerWaalsContact O-CG 3.31Å; G63-R67 WeakPolarHBondContact O-CG 3.46Å; G63-R67 PolarHBondContact O-N 3.31Å; G63-R67 PolarHBondContact O-NE 3.24Å; E64-R67 PolarHBondContact O-N 3.41Å; R67-E71 WeakPolarHBondContact O-CB 3.48Å; R67-E71 WeakPolarHBondContact O-CG 3.29Å; R67-E71 PolarHBondContact O-N 3.44Å
68F85.5Confident85.1Confident35 Ų3583.8 Ų83.815%0.15441%0.414CS..Hα-helixtrans-64.7-45.2-179.2177-103.6000112.2S37 K38 L41 E64 E65 A66 E71 Y72S37-F68 VanDerWaalsContact C-CE1 3.4Å; S37-F68 WeakPolarHBondContact O-CE1 3.44Å; S37-F68 VanDerWaalsContact OG-CD2 3.3Å; S37-F68 WeakPolarHBondContact OG-CD2 3.41Å; S37-F68 VanDerWaalsContact OG-CE1 3.29Å; S37-F68 WeakPolarHBondContact OG-CE1 3.44Å; S37-F68 WeakPolarHBondContact OG-CE2 3.23Å; S37-F68 WeakPolarHBondContact OG-CZ 3.19Å; K38-F68 HydrophobicContact CB-CZ 4.12Å; K38-F68 HydrophobicContact CD-CE2 4.48Å; K38-F68 HydrophobicContact CG-CE2 3.49Å; K38-F68 VanDerWaalsContact CG-CE2 3.49Å; K38-F68 HydrophobicContact CG-CZ 3.46Å; K38-F68 VanDerWaalsContact CG-CZ 3.46Å; L41-F68 HydrophobicContact CD1-CD1 4.07Å; L41-F68 HydrophobicContact CD1-CE1 3.3Å; L41-F68 HydrophobicContact CD1-CZ 3.98Å; L41-F68 HydrophobicContact CG-CE1 3.95Å; E64-F68 VanDerWaalsContact O-CB 3.29Å; E64-F68 WeakPolarHBondContact O-CB 3.48Å; E64-F68 PolarHBondContact O-N 2.93Å; E65-F68 PolarHBondContact O-N 3.02Å; A66-F68 VanDerWaalsContact C-N 3.32Å; A66-F68 PolarHBondContact O-N 3.49Å; F68-E71 PolarHBondContact O-N 3.41Å; F68-Y72 WeakPolarHBondContact O-CB 3.31Å; F68-Y72 PolarHBondContact O-N 3.23Å
69L86.5Confident84.8Confident2 Ų283.7 Ų83.71%0.0141%0.412CS..Hα-helixtrans-69.8-37.8-179.9-17562.4000112L41 K52 F53 L56 I61 E65 A66 Y72 R73L41-L69 HydrophobicContact CD1-CD1 3.83Å; L41-L69 HydrophobicContact CD2-CD1 4.12Å; K52-L69 HydrophobicContact CB-CD2 4.02Å; K52-L69 WeakPolarHBondContact O-CD2 3.34Å; F53-L69 HydrophobicContact CD1-CD1 3.83Å; F53-L69 HydrophobicContact CD1-CD2 4.09Å; F53-L69 HydrophobicContact CD1-CG 3.77Å; F53-L69 HydrophobicContact CE1-CD1 3.39Å; F53-L69 HydrophobicContact CE1-CD2 4.45Å; F53-L69 HydrophobicContact CE1-CG 3.66Å; F53-L69 HydrophobicContact CZ-CD1 4.09Å; L56-L69 HydrophobicContact CB-CD2 3.79Å; L56-L69 HydrophobicContact CD1-CB 3.65Å; L56-L69 HydrophobicContact CD1-CD2 3.73Å; L56-L69 HydrophobicContact CD1-CG 3.77Å; L56-L69 HydrophobicContact CG-CD2 4.4Å; I61-L69 HydrophobicContact CD1-CD2 3.72Å; E65-L69 VanDerWaalsContact O-CB 3.3Å; E65-L69 WeakPolarHBondContact O-CB 3.3Å; E65-L69 PolarHBondContact O-N 2.95Å; A66-L69 PolarHBondContact O-N 2.81Å; L69-Y72 PolarHBondContact O-N 3.25Å; L69-R73 WeakPolarHBondContact O-CB 3.36Å; L69-R73 PolarHBondContact O-N 3.45Å
70E87Confident84.7Confident90 Ų9086.7 Ų86.742%0.42141%0.411SS..Hα-helixtrans-63.7-43.7172.8-177.955.1-145.300111.6L56 A66 Y72 R73 R74L56-E70 HydrophobicContact CD1-CB 4.4Å; A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 PolarHBondContact O-N 2.83Å; E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 PolarHBondContact O-N 2.75Å; E70-R73 PolarHBondContact O-N 3.35Å; E70-R74 VanDerWaalsContact O-CB 3.31Å; E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 PolarHBondContact O-N 3.26Å
71E87.3Confident84.6Confident103 Ų10386 Ų8648%0.48141%0.408SS..Hα-helixtrans-60.7-40.8173.2-82.2-168.1-158.500112.4R67 F68 K75R67-E71 WeakPolarHBondContact O-CB 3.48Å; R67-E71 WeakPolarHBondContact O-CG 3.29Å; R67-E71 PolarHBondContact O-N 3.44Å; F68-E71 PolarHBondContact O-N 3.41Å; E71-K75 VanDerWaalsContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CD 3.41Å; E71-K75 WeakPolarHBondContact O-CG 3.41Å; E71-K75 PolarHBondContact O-N 3.26Å; E71-K75 IonicContact OE2-NZ 2.66Å; E71-K75 PolarHBondContact OE2-NZ 3.39Å
72Y86.6Confident84.6Confident31 Ų3189.8 Ų89.812%0.12243%0.425CS..Hα-helixtrans-65.2-46.9176.5179.9-101.5000111.2L41 D42 L49 F53 F68 L69 E70 R74 K75 R76L41-Y72 HydrophobicContact CB-CD1 4.2Å; L41-Y72 HydrophobicContact CB-CD2 4.29Å; L41-Y72 HydrophobicContact CB-CE1 3.86Å; L41-Y72 HydrophobicContact CB-CE2 3.98Å; L41-Y72 HydrophobicContact CB-CG 4.39Å; L41-Y72 HydrophobicContact CD1-CD1 3.5Å; L41-Y72 VanDerWaalsContact CD1-CD1 3.5Å; L41-Y72 HydrophobicContact CD1-CD2 3.96Å; L41-Y72 HydrophobicContact CD1-CE1 4.04Å; L41-Y72 HydrophobicContact CD1-CE2 4.47Å; L41-Y72 HydrophobicContact CD1-CG 3.44Å; L41-Y72 VanDerWaalsContact CD1-CG 3.44Å; L41-Y72 HydrophobicContact CG-CD1 4.43Å; D42-Y72 PolarHBondContact OD1-OH 3.06Å; L49-Y72 HydrophobicContact CD1-CD1 4.33Å; L49-Y72 HydrophobicContact CD1-CE1 3.79Å; L49-Y72 HydrophobicContact CD2-CE1 3.94Å; F53-Y72 AromaticContact CZ-CD1 3.99Å; F53-Y72 HydrophobicContact CZ-CD1 3.99Å; F53-Y72 HydrophobicContact CZ-CE1 4.36Å; F68-Y72 WeakPolarHBondContact O-CB 3.31Å; F68-Y72 PolarHBondContact O-N 3.23Å; L69-Y72 PolarHBondContact O-N 3.25Å; E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 PolarHBondContact O-N 2.75Å; Y72-R74 PolarHBondContact O-N 3.42Å; Y72-K75 PolarHBondContact O-N 3.43Å; Y72-R76 WeakPolarHBondContact O-CB 3.18Å; Y72-R76 PolarHBondContact O-N 2.88Å
73R86.3Confident84.6Confident90 Ų9090.2 Ų90.234%0.3443%0.425SS..Hα-helixtrans-53.6-53174.2-164.8179-179.1172.75.7110.8F53 L69 E70 K75 R76 I77F53-R73 HydrophobicContact CD1-CB 4.25Å; F53-R73 HydrophobicContact CD1-CG 4.2Å; F53-R73 HydrophobicContact CE1-CB 3.46Å; F53-R73 VanDerWaalsContact CE1-CB 3.46Å; F53-R73 HydrophobicContact CE1-CG 3.75Å; F53-R73 HydrophobicContact CZ-CB 3.86Å; F53-R73 HydrophobicContact CZ-CG 3.97Å; L69-R73 WeakPolarHBondContact O-CB 3.36Å; L69-R73 PolarHBondContact O-N 3.45Å; E70-R73 PolarHBondContact O-N 3.35Å; R73-K75 PolarHBondContact O-N 2.87Å; R73-R76 PolarHBondContact O-N 3.48Å; R73-I77 HydrophobicContact CG-CD1 3.81Å; R73-I77 WeakPolarHBondContact O-CB 3.31Å; R73-I77 VanDerWaalsContact O-CG1 3.29Å; R73-I77 WeakPolarHBondContact O-CG1 3.29Å; R73-I77 PolarHBondContact O-N 2.85Å
74R86.2Confident84.6Confident194 Ų19491.3 Ų91.373%0.73243%0.43SS*.Hα-helixtrans-61.1-43.4-179.5-175.5-179.9175.3-164.3-0.8112E70 Y72 G78E70-R74 VanDerWaalsContact O-CB 3.31Å; E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 PolarHBondContact O-N 3.26Å; Y72-R74 PolarHBondContact O-N 3.42Å; R74-G78 PolarHBondContact O-N 2.93Å
75K85.9Confident84.6Confident94 Ų9487.7 Ų87.741%0.40942%0.421SS..Hα-helixtrans-64.3-46.3176.9-75.6166-169.6153.30111.3E71 Y72 R73 G78 M79E71-K75 VanDerWaalsContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CD 3.41Å; E71-K75 WeakPolarHBondContact O-CG 3.41Å; E71-K75 PolarHBondContact O-N 3.26Å; E71-K75 IonicContact OE2-NZ 2.66Å; E71-K75 PolarHBondContact OE2-NZ 3.39Å; Y72-K75 PolarHBondContact O-N 3.43Å; R73-K75 PolarHBondContact O-N 2.87Å; K75-G78 PolarHBondContact O-N 3.24Å; K75-M79 WeakPolarHBondContact O-CG 3.27Å; K75-M79 PolarHBondContact O-N 3.32Å
76R85.6Confident84.7Confident96 Ų9689 Ų8936%0.36243%0.426SS..Hα-helixtrans-63.5-46.5179.3-171.5179.9179.1-140.44.7111.8Y72 R73 G78 M79 M80Y72-R76 WeakPolarHBondContact O-CB 3.18Å; Y72-R76 PolarHBondContact O-N 2.88Å; R73-R76 PolarHBondContact O-N 3.48Å; R76-G78 VanDerWaalsContact C-N 3.34Å; R76-M79 PolarHBondContact O-N 3.28Å; R76-M80 WeakPolarHBondContact O-CB 3.35Å; R76-M80 PolarHBondContact O-N 2.89Å
77I85.3Confident84.7Confident75 Ų7589.7 Ų89.739%0.38543%0.431SS..Hα-helixtrans-60.8-45.1174.1-69.1171.9000110.2R73 M79 M80 Q81R73-I77 HydrophobicContact CG-CD1 3.81Å; R73-I77 WeakPolarHBondContact O-CB 3.31Å; R73-I77 VanDerWaalsContact O-CG1 3.29Å; R73-I77 WeakPolarHBondContact O-CG1 3.29Å; R73-I77 PolarHBondContact O-N 2.85Å; I77-M79 PolarHBondContact O-N 3.45Å; I77-M80 PolarHBondContact O-N 2.95Å; I77-Q81 HydrophobicContact CG2-CG 4.15Å; I77-Q81 WeakPolarHBondContact O-CB 3.34Å; I77-Q81 VanDerWaalsContact O-CG 3.27Å; I77-Q81 WeakPolarHBondContact O-CG 3.42Å; I77-Q81 PolarHBondContact O-N 2.88Å
78G86Confident84.9Confident31 Ų3191.7 Ų91.732%0.3244%0.439SS..Hα-helixtrans-59-46.6177.600000112.7R74 K75 R76 Q81 E82R74-G78 PolarHBondContact O-N 2.93Å; K75-G78 PolarHBondContact O-N 3.24Å; R76-G78 VanDerWaalsContact C-N 3.34Å; G78-Q81 PolarHBondContact O-N 3.27Å; G78-E82 WeakPolarHBondContact O-CB 3.31Å; G78-E82 PolarHBondContact O-N 3.44Å
79M84.7Confident85.2Confident117 Ų11792.9 Ų92.958%0.57644%0.444SS*.Hα-helixtrans-62-44.1175.6-71.5178.6-179.300111.8K75 R76 I77 E82 M83K75-M79 WeakPolarHBondContact O-CG 3.27Å; K75-M79 PolarHBondContact O-N 3.32Å; R76-M79 PolarHBondContact O-N 3.28Å; I77-M79 PolarHBondContact O-N 3.45Å; M79-E82 PolarHBondContact O-N 3.23Å; M79-M83 WeakPolarHBondContact O-CG 3.49Å; M79-M83 PolarHBondContact O-N 3.19Å
80M81Confident85.5Confident120 Ų12094 Ų9459%0.59146%0.456SS*.Hα-helixtrans-63.3-43.6177.9-174.2-178.1-68.600111.6R76 I77 M83 A84R76-M80 WeakPolarHBondContact O-CB 3.35Å; R76-M80 PolarHBondContact O-N 2.89Å; I77-M80 PolarHBondContact O-N 2.95Å; M80-M83 PolarHBondContact O-N 3.45Å; M80-A84 VanDerWaalsContact O-CB 3.29Å; M80-A84 WeakPolarHBondContact O-CB 3.47Å; M80-A84 PolarHBondContact O-N 3.38Å
81Q84.2Confident85.9Confident129 Ų12994 Ų9460%0.60347%0.466SS*.Hα-helixtrans-63.3-41.5175.5-75.1178.3-9.100111.6I77 G78 A84 S85I77-Q81 HydrophobicContact CG2-CG 4.15Å; I77-Q81 WeakPolarHBondContact O-CB 3.34Å; I77-Q81 VanDerWaalsContact O-CG 3.27Å; I77-Q81 WeakPolarHBondContact O-CG 3.42Å; I77-Q81 PolarHBondContact O-N 2.88Å; G78-Q81 PolarHBondContact O-N 3.27Å; Q81-A84 PolarHBondContact O-N 2.6Å; Q81-S85 VanDerWaalsContact O-CB 3.29Å; Q81-S85 WeakPolarHBondContact O-CB 3.37Å; Q81-S85 PolarHBondContact O-N 2.82Å; Q81-S85 PolarHBondContact O-OG 3.17Å
82E83.2Confident86.4Confident100 Ų10091 Ų9147%0.46745%0.454SS..Hα-helixtrans-62.9-48.2176.3-172.3-177.6175.100111.1G78 M79 A84 S85 K86G78-E82 WeakPolarHBondContact O-CB 3.31Å; G78-E82 PolarHBondContact O-N 3.44Å; M79-E82 PolarHBondContact O-N 3.23Å; E82-A84 PolarHBondContact O-N 2.72Å; E82-S85 PolarHBondContact O-N 2.68Å; E82-S85 PolarHBondContact O-OG 3.45Å; E82-K86 HydrophobicContact CG-CD 4.43Å; E82-K86 WeakPolarHBondContact O-CG 3.36Å; E82-K86 PolarHBondContact O-N 3.41Å; E82-K86 VanDerWaalsContact OE1-CE 3.28Å; E82-K86 WeakPolarHBondContact OE1-CE 3.4Å; E82-K86 IonicContact OE1-NZ 2.75Å; E82-K86 PolarHBondContact OE1-NZ 3.2Å
83M80Confident86.8Confident131 Ų13196.5 Ų96.565%0.64548%0.475SS*.Hα-helixtrans-59.7-44.9175.8-72-177-176.500111.8M79 M80 S85 K86 A87M79-M83 WeakPolarHBondContact O-CG 3.49Å; M79-M83 PolarHBondContact O-N 3.19Å; M80-M83 PolarHBondContact O-N 3.45Å; M83-S85 VanDerWaalsContact C-N 3.33Å; M83-S85 PolarHBondContact O-N 3.44Å; M83-K86 PolarHBondContact O-N 2.92Å; M83-A87 WeakPolarHBondContact O-CB 3.35Å; M83-A87 PolarHBondContact O-N 2.96Å
84A80.7Confident87.3Confident64 Ų6498 Ų9853%0.52949%0.486SS..Hα-helixtrans-62.5-40.1176.600000111.9M80 Q81 E82 K86 A87M80-A84 VanDerWaalsContact O-CB 3.29Å; M80-A84 WeakPolarHBondContact O-CB 3.47Å; M80-A84 PolarHBondContact O-N 3.38Å; Q81-A84 PolarHBondContact O-N 2.6Å; E82-A84 PolarHBondContact O-N 2.72Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 2.88Å; A84-A87 PolarHBondContact O-N 3.46Å
85S82Confident87.7Confident72 Ų7289 Ų8950%0.50345%0.453SS..Hα-helixtrans-68.7-25.2177.478.30000113.2Q81 E82 M83 R88Q81-S85 VanDerWaalsContact O-CB 3.29Å; Q81-S85 WeakPolarHBondContact O-CB 3.37Å; Q81-S85 PolarHBondContact O-N 2.82Å; Q81-S85 PolarHBondContact O-OG 3.17Å; E82-S85 PolarHBondContact O-N 2.68Å; E82-S85 PolarHBondContact O-OG 3.45Å; M83-S85 VanDerWaalsContact C-N 3.33Å; M83-S85 PolarHBondContact O-N 3.44Å; S85-R88 WeakPolarHBondContact O-CD 3.42Å; S85-R88 WeakPolarHBondContact O-CG 3.45Å
86K83.6Confident88.1Confident110 Ų11087 Ų8748%0.47845%0.448SS..Hα-helixtrans-82.7-32.7172.8-70175.5-175.4171.50111.6E82 M83 A84 R88 T140E82-K86 HydrophobicContact CG-CD 4.43Å; E82-K86 WeakPolarHBondContact O-CG 3.36Å; E82-K86 PolarHBondContact O-N 3.41Å; E82-K86 VanDerWaalsContact OE1-CE 3.28Å; E82-K86 WeakPolarHBondContact OE1-CE 3.4Å; E82-K86 IonicContact OE1-NZ 2.75Å; E82-K86 PolarHBondContact OE1-NZ 3.2Å; M83-K86 PolarHBondContact O-N 2.92Å; A84-K86 VanDerWaalsContact C-N 3.27Å; A84-K86 PolarHBondContact O-N 2.88Å; K86-R88 PolarHBondContact O-N 2.92Å; K86-T140 HydrophobicContact CB-CG2 4.14Å; K86-T140 WeakPolarHBondContact O-CA 3.39Å
87A85.8Confident88.4Confident39 Ų3988.5 Ų88.532%0.32246%0.457SS..  trans-75.257.7179.100000113.1M83 A84 P139 T140M83-A87 WeakPolarHBondContact O-CB 3.35Å; M83-A87 PolarHBondContact O-N 2.96Å; A84-A87 PolarHBondContact O-N 3.46Å; A87-P139 CarbonylContact C-O 3.55Å; A87-P139 WeakPolarHBondContact CA-O 3.28Å; A87-P139 HydrophobicContact CB-CB 4.02Å; A87-P139 HydrophobicContact CB-CG 3.81Å; A87-T140 HydrophobicContact CB-CG2 4.3Å
88R88.6Confident88.7Confident202 Ų20288.8 Ų88.876%0.76247%0.471SS*.  trans-94.4-10.7-175.8-66.1172.865-172.53114S85 K86 P139S85-R88 WeakPolarHBondContact O-CD 3.42Å; S85-R88 WeakPolarHBondContact O-CG 3.45Å; K86-R88 PolarHBondContact O-N 2.92Å; R88-P139 PolarHBondContact N-O 2.77Å
89F92.6Very high89.1Confident60 Ų6090.5 Ų90.526%0.26347%0.473SS..  trans-103.3-175.5179.4-49.3-76000109.8T110 P139 V141 K142F89-T110 HydrophobicContact CD2-CG2 4.21Å; F89-T110 HydrophobicContact CE2-CG2 3.36Å; F89-T110 HydrophobicContact CZ-CG2 3.93Å; F89-P139 WeakPolarHBondContact CA-O 3.22Å; F89-P139 VanDerWaalsContact CB-O 3.29Å; F89-P139 WeakPolarHBondContact CB-O 3.19Å; F89-P139 WeakPolarHBondContact CD2-O 3.41Å; F89-P139 PolarHBondContact N-O 3.33Å; F89-P139 WeakPolarHBondContact O-CA 3.32Å; F89-P139 WeakPolarHBondContact O-CB 3.31Å; F89-V141 WeakPolarHBondContact CB-O 3.37Å; F89-K142 HydrophobicContact CD1-CB 3.77Å; F89-K142 HydrophobicContact CD1-CD 4.22Å; F89-K142 HydrophobicContact CD1-CG 3.66Å; F89-K142 HydrophobicContact CD2-CB 4.16Å; F89-K142 HydrophobicContact CE1-CB 3.68Å; F89-K142 HydrophobicContact CE1-CD 3.57Å; F89-K142 HydrophobicContact CE1-CG 3.53Å; F89-K142 HydrophobicContact CE2-CB 4.11Å; F89-K142 HydrophobicContact CG-CB 4Å; F89-K142 HydrophobicContact CG-CG 4.36Å; F89-K142 HydrophobicContact CZ-CB 3.85Å; F89-K142 HydrophobicContact CZ-CD 4.05Å; F89-K142 HydrophobicContact CZ-CG 4.16Å
90G93.5Very high89.4Confident26 Ų2686.8 Ų86.827%0.26845%0.452SS..  trans160.6-11.7-173.900000114.3A135 Q136G90-A135 CarbonylContact C-O 3.58Å; G90-A135 VanDerWaalsContact CA-O 3.27Å; G90-A135 WeakPolarHBondContact CA-O 3.38Å; G90-A135 CarbonylContact O-C 3.54Å; G90-Q136 WeakPolarHBondContact O-CG 3.49Å; G90-Q136 PolarHBondContact O-N 3.46Å
91S95.3Very high89.9Confident90 Ų9086 Ų8663%0.62945%0.449SS*.SBendtrans-137.6159.7179.262.40000111
92V97.2Very high90.3Very high39 Ų3984 Ų8424%0.23645%0.446CS..  trans-89.6124.7174.5-1760000108.1F131 R132 A135 F143 R145V92-F131 VanDerWaalsContact CG2-C 3.46Å; V92-F131 HydrophobicContact CG2-CB 3.89Å; V92-F131 WeakPolarHBondContact CG2-O 3.42Å; V92-R132 HydrophobicContact CG2-CG 4.05Å; V92-A135 HydrophobicContact CG2-CB 3.8Å; V92-F143 WeakPolarHBondContact CA-O 3.41Å; V92-F143 HydrophobicContact CG2-CB 4.12Å; V92-R145 HydrophobicContact CG1-CB 3.81Å
93R95.5Very high90.7Very high147 Ų14780.8 Ų80.856%0.55543%0.431SS*.EExtended strand (participates in β ladder)trans-104.8143.1176.3-163.6-176.6-167.2-166.5-0.2110.9E103 F143 L144 R145R93-E103 IonicContact CZ-OE1 3.91Å; R93-E103 VanDerWaalsContact NH1-CD 3.31Å; R93-E103 IonicContact NH1-OE1 2.72Å; R93-E103 PolarHBondContact NH1-OE1 3.35Å; R93-E103 IonicContact NH1-OE2 2.81Å; R93-F143 PolarHBondContact N-O 3.02Å; R93-L144 HydrophobicContact CB-CD2 3.8Å; R93-L144 CarbonylContact O-C 3.57Å; R93-L144 VanDerWaalsContact O-CA 3.31Å; R93-L144 WeakPolarHBondContact O-CA 3.45Å; R93-R145 PolarHBondContact O-N 3.12Å
94E95.9Very high91.3Very high123 Ų12374.5 Ų74.558%0.57540%0.4SS*.EExtended strand (participates in β ladder)trans-76.3141.1170.7-60.6-165.6163.800111R145E94-R145 CarbonylContact C-O 3.58Å; E94-R145 WeakPolarHBondContact CA-O 3.44Å
95V95.5Very high91.7Very high4 Ų474.2 Ų74.22%0.02439%0.392CS..EExtended strand (participates in β ladder)trans-128139.9179.871.10000109.6D99 W100 E103 I114 L144 R145 C151V95-D99 HydrophobicContact CG2-CB 3.63Å; V95-W100 HydrophobicContact CG1-CE3 4.27Å; V95-W100 HydrophobicContact CG1-CZ3 4.37Å; V95-E103 HydrophobicContact CG2-CB 4.15Å; V95-E103 HydrophobicContact CG2-CG 4.44Å; V95-I114 HydrophobicContact CG1-CG2 4.32Å; V95-L144 HydrophobicContact CB-CD1 4.47Å; V95-L144 HydrophobicContact CG1-CB 4.27Å; V95-R145 PolarHBondContact N-O 3.2Å; V95-C151 PolarHBondContact O-SG 3.42Å
96T93.6Very high92.1Very high51 Ų5176.4 Ų76.431%0.31340%0.398SS..  trans-109.7175.9171.870.60000110.8A98 D99 W100T96-A98 PolarHBondContact O-N 3.44Å; T96-A98 PolarHBondContact OG1-N 3.32Å; T96-D99 PolarHBondContact N-OD2 3.43Å; T96-D99 PolarHBondContact O-N 2.87Å; T96-D99 PolarHBondContact OG1-OD2 2.83Å; T96-W100 PolarHBondContact O-N 3.39Å
97K92.1Very high92.3Very high129 Ų12972.2 Ų72.256%0.56138%0.384SS*.Hα-helixtrans-55.7-33.7172.4-177.8176.3-177.8-176.80113.2L150K97-L150 WeakPolarHBondContact CB-O 3.33Å; K97-L150 PolarHBondContact N-O 2.92Å
98A92.1Very high92.3Very high80 Ų8072.3 Ų72.366%0.66139%0.389SS*.Hα-helixtrans-70.6-37.8179.200000111.9T96T96-A98 PolarHBondContact O-N 3.44Å; T96-A98 PolarHBondContact OG1-N 3.32Å
99D93.1Very high92.4Very high68 Ų6868.7 Ų68.736%0.36439%0.385SS..Hα-helixtrans-80.8-20.2-178.1-53.3-55.2000112.4V95 T96 I101 T102 E103V95-D99 HydrophobicContact CG2-CB 3.63Å; T96-D99 PolarHBondContact N-OD2 3.43Å; T96-D99 PolarHBondContact O-N 2.87Å; T96-D99 PolarHBondContact OG1-OD2 2.83Å; D99-I101 VanDerWaalsContact C-N 3.32Å; D99-I101 PolarHBondContact O-N 3.38Å; D99-T102 PolarHBondContact O-N 2.86Å; D99-T102 VanDerWaalsContact O-N 3.13Å; D99-E103 HydrophobicContact CB-CG 4.06Å; D99-E103 WeakPolarHBondContact O-CB 3.34Å; D99-E103 WeakPolarHBondContact O-CG 3.34Å; D99-E103 PolarHBondContact O-N 3.5Å
100W92.3Very high92.3Very high38 Ų3867.5 Ų67.514%0.14438%0.382CS..Hα-helixtrans-52.3-46.4-173.7-166.2-80.4000113.2V95 T96 T102 V104 T105 I114 V116 C151 L164 Y166V95-W100 HydrophobicContact CG1-CE3 4.27Å; V95-W100 HydrophobicContact CG1-CZ3 4.37Å; T96-W100 PolarHBondContact O-N 3.39Å; W100-T102 PolarHBondContact O-N 2.62Å; W100-V104 HydrophobicContact CD2-CG2 3.93Å; W100-V104 HydrophobicContact CE3-CG2 4.37Å; W100-V104 HydrophobicContact CG-CB 4.41Å; W100-V104 HydrophobicContact CG-CG2 4.1Å; W100-V104 WeakPolarHBondContact O-CA 3.29Å; W100-V104 WeakPolarHBondContact O-CB 3.29Å; W100-V104 WeakPolarHBondContact O-CG2 3.38Å; W100-V104 PolarHBondContact O-N 3.33Å; W100-T105 PolarHBondContact O-N 3.49Å; W100-I114 HydrophobicContact CE3-CD1 4.49Å; W100-I114 HydrophobicContact CH2-CB 4.49Å; W100-I114 HydrophobicContact CH2-CD1 3.42Å; W100-I114 VanDerWaalsContact CH2-CD1 3.42Å; W100-I114 HydrophobicContact CH2-CG2 4.04Å; W100-I114 HydrophobicContact CZ2-CD1 3.56Å; W100-I114 HydrophobicContact CZ3-CD1 3.92Å; W100-I114 HydrophobicContact CZ3-CG2 4Å; W100-V116 HydrophobicContact CH2-CG2 4.39Å; W100-C151 HydrophobicContact CE3-CB 4.25Å; W100-C151 HydrophobicContact CZ3-CB 4.09Å; W100-L164 HydrophobicContact CH2-CD1 3.97Å; W100-L164 HydrophobicContact CZ2-CD1 4.27Å; W100-Y166 AromaticContact CZ2-CE2 3.86Å; W100-Y166 HydrophobicContact CZ2-CE2 3.86Å; W100-Y166 AromaticContact CZ2-CZ 4Å
101I91.6Very high92.4Very high103 Ų10368.4 Ų68.453%0.52838%0.379SS..Iπ-helixtrans-63.3-46.3-178.1-61.1172.5000110.3D99 T105 N106D99-I101 VanDerWaalsContact C-N 3.32Å; D99-I101 PolarHBondContact O-N 3.38Å; I101-T105 VanDerWaalsContact O-CB 3.31Å; I101-T105 WeakPolarHBondContact O-CB 3.35Å; I101-T105 PolarHBondContact O-N 2.87Å; I101-N106 PolarHBondContact O-N 3.47Å
102T92.8Very high92.5Very high88 Ų8864.2 Ų64.254%0.5435%0.349SS..Iπ-helixtrans-70.6-44-178.3-54.30000111.6D99 W100D99-T102 PolarHBondContact O-N 2.86Å; D99-T102 VanDerWaalsContact O-N 3.13Å; W100-T102 PolarHBondContact O-N 2.62Å
103E91.5Very high92.5Very high32 Ų3262.3 Ų62.315%0.1534%0.338CS..Iπ-helixtrans-86.8-27.3-170-65.9-67150.500113.5R93 V95 D99 K142 L144R93-E103 IonicContact CZ-OE1 3.91Å; R93-E103 VanDerWaalsContact NH1-CD 3.31Å; R93-E103 IonicContact NH1-OE1 2.72Å; R93-E103 PolarHBondContact NH1-OE1 3.35Å; R93-E103 IonicContact NH1-OE2 2.81Å; V95-E103 HydrophobicContact CG2-CB 4.15Å; V95-E103 HydrophobicContact CG2-CG 4.44Å; D99-E103 HydrophobicContact CB-CG 4.06Å; D99-E103 WeakPolarHBondContact O-CB 3.34Å; D99-E103 WeakPolarHBondContact O-CG 3.34Å; D99-E103 PolarHBondContact O-N 3.5Å; E103-K142 PolarHBondContact O-NZ 2.89Å; E103-K142 WeakPolarHBondContact OE2-CE 3.4Å; E103-K142 IonicContact OE2-NZ 2.66Å; E103-K142 PolarHBondContact OE2-NZ 3.21Å; E103-L144 HydrophobicContact CB-CD1 4.02Å
104V91.9Very high92.6Very high0 Ų055.3 Ų55.30%031%0.312CS..Iπ-helixtrans-111.4-58.8-175.1-173.90000110.8W100 A107 V112 I114 L144 Y166W100-V104 HydrophobicContact CD2-CG2 3.93Å; W100-V104 HydrophobicContact CE3-CG2 4.37Å; W100-V104 HydrophobicContact CG-CB 4.41Å; W100-V104 HydrophobicContact CG-CG2 4.1Å; W100-V104 WeakPolarHBondContact O-CA 3.29Å; W100-V104 WeakPolarHBondContact O-CB 3.29Å; W100-V104 WeakPolarHBondContact O-CG2 3.38Å; W100-V104 PolarHBondContact O-N 3.33Å; V104-A107 WeakPolarHBondContact O-CB 3.34Å; V104-V112 HydrophobicContact CG1-CG1 4.46Å; V104-V112 HydrophobicContact CG2-CG1 4.43Å; V104-I114 HydrophobicContact CB-CD1 4.1Å; V104-I114 HydrophobicContact CG1-CD1 3.61Å; V104-I114 HydrophobicContact CG2-CD1 3.32Å; V104-I114 HydrophobicContact CG2-CG1 4.33Å; V104-L144 HydrophobicContact CG2-CD1 3.89Å; V104-Y166 HydrophobicContact CG1-CD1 3.81Å; V104-Y166 HydrophobicContact CG1-CD2 3.46Å; V104-Y166 VanDerWaalsContact CG1-CD2 3.46Å; V104-Y166 HydrophobicContact CG1-CE1 4.17Å; V104-Y166 HydrophobicContact CG1-CE2 3.83Å; V104-Y166 HydrophobicContact CG1-CG 3.45Å; V104-Y166 VanDerWaalsContact CG1-CG 3.45Å
105T89.6Confident92.7Very high58 Ų5849.5 Ų49.536%0.35628%0.284SS..Iπ-helixtrans-68.1-41.7-174.4-52.40000111.3W100 I101 G169W100-T105 PolarHBondContact O-N 3.49Å; I101-T105 VanDerWaalsContact O-CB 3.31Å; I101-T105 WeakPolarHBondContact O-CB 3.35Å; I101-T105 PolarHBondContact O-N 2.87Å; T105-G169 VanDerWaalsContact O-CA 3.32Å; T105-G169 WeakPolarHBondContact O-CA 3.39Å
106N90.4Very high92.8Very high117 Ų11749.3 Ų49.363%0.62628%0.283SS*.THydrogen-bonded Turntrans-99.425.8-178.4-66.5-21.8000113.5I101 G108I101-N106 PolarHBondContact O-N 3.47Å; N106-G108 PolarHBondContact O-N 2.94Å
107A86.8Confident92.9Very high22 Ų2246.9 Ų46.918%0.18227%0.268CS..  trans-72-5.7-177.800000115V104 V112V104-A107 WeakPolarHBondContact O-CB 3.34Å; A107-V112 HydrophobicContact CB-CG2 3.34Å
108G87.2Confident93Very high42 Ų4244.6 Ų44.643%0.43326%0.26SS..  trans76.7-155.6-176.800000113.3N106 T110 S168N106-G108 PolarHBondContact O-N 2.94Å; G108-T110 PolarHBondContact O-N 2.88Å; G108-S168 WeakPolarHBondContact O-CA 3.46Å; G108-S168 PolarHBondContact O-N 3.32Å
109D89.3Confident93.1Very high126 Ų12647.4 Ų47.467%0.67426%0.257SS*.SBendtrans-83.265.8175.9-17130.2000111K167D109-K167 WeakPolarHBondContact OD1-CE 3.34Å; D109-K167 IonicContact OD1-NZ 2.72Å
110T91.6Very high92.9Very high35 Ų3548.3 Ų48.322%0.21528%0.283CS..SBendtrans-142.3142.4176.1-57.80000108.5F89 G108 T140F89-T110 HydrophobicContact CD2-CG2 4.21Å; F89-T110 HydrophobicContact CE2-CG2 3.36Å; F89-T110 HydrophobicContact CZ-CG2 3.93Å; G108-T110 PolarHBondContact O-N 2.88Å; T110-T140 WeakPolarHBondContact CG2-O 3.45Å
111F95.6Very high92.8Very high45 Ų4549.6 Ų49.620%0.19729%0.29CS..EExtended strand (participates in β ladder)trans-69.2131.4170.3-73.7-79.7000111.4V141 K142 I165 Y166 K167 G199 V200F111-V141 HydrophobicContact CB-CG1 4.17Å; F111-K142 PolarHBondContact O-N 3.44Å; F111-I165 HydrophobicContact CD1-CG2 4.43Å; F111-Y166 WeakPolarHBondContact CA-O 3.38Å; F111-K167 HydrophobicContact CD1-CB 3.89Å; F111-K167 HydrophobicContact CD1-CD 4.26Å; F111-K167 HydrophobicContact CD1-CG 4.21Å; F111-K167 HydrophobicContact CE1-CB 3.93Å; F111-K167 HydrophobicContact CE1-CD 3.71Å; F111-K167 HydrophobicContact CE1-CG 4.14Å; F111-K167 HydrophobicContact CE2-CD 4.16Å; F111-K167 HydrophobicContact CZ-CD 3.67Å; F111-K167 HydrophobicContact CZ-CG 4.47Å; F111-G199 VanDerWaalsContact CE2-O 3.31Å; F111-G199 WeakPolarHBondContact CE2-O 3.38Å; F111-G199 WeakPolarHBondContact CZ-O 3.47Å; F111-V200 HydrophobicContact CB-CG1 3.9Å; F111-V200 HydrophobicContact CD1-CB 4.38Å; F111-V200 HydrophobicContact CD1-CG1 4.21Å; F111-V200 HydrophobicContact CD1-CG2 4.11Å; F111-V200 HydrophobicContact CE1-CG2 4.2Å; F111-V200 HydrophobicContact CG-CB 4.48Å; F111-V200 HydrophobicContact CG-CG1 4.06Å
112V96.6Very high92.8Very high1 Ų147.5 Ų47.51%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-115.8120.7173.7-172.90000108.6V104 A107 I114 K142 L144 I165 Y166V104-V112 HydrophobicContact CG1-CG1 4.46Å; V104-V112 HydrophobicContact CG2-CG1 4.43Å; A107-V112 HydrophobicContact CB-CG2 3.34Å; V112-I114 HydrophobicContact CG1-CD1 4.38Å; V112-I114 HydrophobicContact CG1-CG1 3.95Å; V112-K142 CarbonylContact C-O 3.37Å; V112-K142 WeakPolarHBondContact CA-O 3.49Å; V112-K142 HydrophobicContact CG1-CB 4.48Å; V112-K142 HydrophobicContact CG1-CD 4.36Å; V112-K142 HydrophobicContact CG1-CG 4.45Å; V112-K142 HydrophobicContact CG2-CB 4.24Å; V112-K142 HydrophobicContact CG2-CD 4.09Å; V112-L144 HydrophobicContact CG1-CD1 3.57Å; V112-L144 HydrophobicContact CG1-CG 4.1Å; V112-I165 WeakPolarHBondContact O-CA 3.42Å; V112-Y166 PolarHBondContact N-O 2.78Å; V112-Y166 PolarHBondContact O-N 3.34Å
113V97.6Very high92.9Very high0 Ų043.7 Ų43.70%027%0.27CS..EExtended strand (participates in β ladder)trans-113118.6179.1-175.60000108.4F131 V141 K142 F143 L144 I163 I165 L195 V200V113-F131 HydrophobicContact CG1-CE1 3.96Å; V113-F131 HydrophobicContact CG1-CZ 3.73Å; V113-V141 HydrophobicContact CG2-CG1 3.75Å; V113-K142 PolarHBondContact N-O 2.97Å; V113-F143 HydrophobicContact CB-CD1 3.99Å; V113-F143 HydrophobicContact CB-CE1 4.08Å; V113-F143 HydrophobicContact CG1-CD1 4.25Å; V113-F143 HydrophobicContact CG1-CE1 4.2Å; V113-F143 HydrophobicContact CG2-CE1 4.39Å; V113-F143 CarbonylContact O-C 3.54Å; V113-F143 WeakPolarHBondContact O-CA 3.31Å; V113-L144 PolarHBondContact O-N 3.24Å; V113-I163 HydrophobicContact CG1-CG2 3.74Å; V113-I165 HydrophobicContact CG1-CG1 4.38Å; V113-I165 HydrophobicContact CG2-CG1 4.48Å; V113-L195 HydrophobicContact CG1-CD2 4.11Å; V113-L195 HydrophobicContact CG2-CD2 4.23Å; V113-V200 HydrophobicContact CG2-CG1 3.58Å
114I97.3Very high93.1Very high0 Ų042.2 Ų42.20%026%0.263CS..EExtended strand (participates in β ladder)trans-115.7121.7-173.2-46.5174000109.2V95 W100 V104 V112 V116 L144 I163 L164 Y166V95-I114 HydrophobicContact CG1-CG2 4.32Å; W100-I114 HydrophobicContact CE3-CD1 4.49Å; W100-I114 HydrophobicContact CH2-CB 4.49Å; W100-I114 HydrophobicContact CH2-CD1 3.42Å; W100-I114 VanDerWaalsContact CH2-CD1 3.42Å; W100-I114 HydrophobicContact CH2-CG2 4.04Å; W100-I114 HydrophobicContact CZ2-CD1 3.56Å; W100-I114 HydrophobicContact CZ3-CD1 3.92Å; W100-I114 HydrophobicContact CZ3-CG2 4Å; V104-I114 HydrophobicContact CB-CD1 4.1Å; V104-I114 HydrophobicContact CG1-CD1 3.61Å; V104-I114 HydrophobicContact CG2-CD1 3.32Å; V104-I114 HydrophobicContact CG2-CG1 4.33Å; V112-I114 HydrophobicContact CG1-CD1 4.38Å; V112-I114 HydrophobicContact CG1-CG1 3.95Å; I114-V116 HydrophobicContact CG2-CG2 4.17Å; I114-L144 WeakPolarHBondContact CA-O 3.33Å; I114-L144 HydrophobicContact CB-CB 4.49Å; I114-L144 HydrophobicContact CG1-CB 4.18Å; I114-L144 HydrophobicContact CG1-CD1 4.35Å; I114-L144 HydrophobicContact CG2-CB 4.25Å; I114-I163 CarbonylContact O-C 3.48Å; I114-I163 VanDerWaalsContact O-CA 3.32Å; I114-I163 WeakPolarHBondContact O-CA 3.48Å; I114-L164 HydrophobicContact CB-CB 4.47Å; I114-L164 PolarHBondContact N-O 3.26Å; I114-L164 PolarHBondContact O-N 2.86Å; I114-Y166 HydrophobicContact CD1-CD2 3.89Å; I114-Y166 HydrophobicContact CD1-CE2 3.87Å
115H97.8Very high93.3Very high0 Ų045 Ų450%028%0.283CS..EExtended strand (participates in β ladder)trans-88.1111.9165.8173.5-139.3000109.3C124 I127 D128 F131 L144 R145 G146 P161 S162H115-C124 PolarHBondContact CE1-O 2.8Å; H115-C124 VanDerWaalsContact CE1-O 3.23Å; H115-I127 HydrophobicContact CB-CG2 4.29Å; H115-D128 IonicContact CE1-OD1 2.65Å; H115-D128 PolarHBondContact CE1-OD1 3.11Å; H115-D128 VanDerWaalsContact CE1-OD1 3.26Å; H115-D128 IonicContact CG-OD1 2.68Å; H115-D128 IonicContact ND1-OD1 3.54Å; H115-D128 PolarHBondContact ND1-OD1 2.87Å; H115-F131 HydrophobicContact CB-CD1 3.89Å; H115-F131 HydrophobicContact CB-CD2 4.48Å; H115-F131 HydrophobicContact CB-CE1 3.48Å; H115-F131 VanDerWaalsContact CB-CE1 3.48Å; H115-F131 HydrophobicContact CB-CE2 4.1Å; H115-F131 HydrophobicContact CB-CG 4.39Å; H115-F131 HydrophobicContact CB-CZ 3.6Å; H115-L144 PolarHBondContact N-O 3.13Å; H115-R145 CarbonylContact O-C 3.57Å; H115-R145 WeakPolarHBondContact O-CA 3.25Å; H115-G146 PolarHBondContact O-N 3.48Å; H115-P161 WeakPolarHBondContact NE2-CB 3.35Å; H115-S162 CarbonylContact C-O 3.53Å; H115-S162 WeakPolarHBondContact CA-O 3.49Å
116V97.1Very high93.6Very high0 Ų044.4 Ų44.40%028%0.277CS..EExtended strand (participates in β ladder)trans-92.9112.8169.8-1770000108W100 I114 G146 A148 L160 S162 L164W100-V116 HydrophobicContact CH2-CG2 4.39Å; I114-V116 HydrophobicContact CG2-CG2 4.17Å; V116-G146 WeakPolarHBondContact CA-O 3.35Å; V116-A148 HydrophobicContact CG1-CB 3.93Å; V116-L160 HydrophobicContact CG1-CD2 4.45Å; V116-S162 PolarHBondContact N-O 2.9Å; V116-S162 PolarHBondContact O-N 3.49Å; V116-L164 HydrophobicContact CG2-CD1 3.94Å; V116-L164 HydrophobicContact CG2-CG 4.4Å
117G96.4Very high93.9Very high0 Ų038.9 Ų38.90%025%0.247CC..EExtended strand (participates in β ladder)trans-145.1169.8-173.300000112G146 E147 A148G117-G146 PolarHBondContact N-O 3.38Å; G117-E147 WeakPolarHBondContact O-CA 3.28Å; G117-A148 PolarHBondContact O-N 3.26Å
118E95.6Very high94.4Very high81 Ų8139.2 Ų39.238%0.37925%0.246SC..  trans-119.1140.8173.6-174.2173.2-165.100110.3H121 E147 L160E118-H121 PolarHBondContact O-N 3.46Å; E118-E147 VanDerWaalsContact CA-OE1 3.31Å; E118-E147 WeakPolarHBondContact CA-OE1 3.5Å; E118-L160 HydrophobicContact CB-CD1 3.57Å
119K92.6Very high94.8Very high140 Ų14041.4 Ų41.461%0.60925%0.245SC*.THydrogen-bonded Turntrans-64.5139.4175.5-67179.3-174.3-178.90110.5H121 E147K119-H121 VanDerWaalsContact C-N 3.33Å; K119-E147 WeakPolarHBondContact CE-OE2 3.42Å; K119-E147 PolarHBondContact N-OE1 2.89Å
120G89.8Confident95.2Very high87 Ų8736.1 Ų36.190%0.89722%0.216SC*.THydrogen-bonded Turntrans89.7-13.2-178.200000114.6G122G120-G122 PolarHBondContact O-N 3.3Å
121H89.8Confident95.5Very high64 Ų6434.4 Ų34.430%0.29621%0.206SC..  trans-79.8118.1171.4-168-98000110.5E118 K119 L123 C124 S125E118-H121 PolarHBondContact O-N 3.46Å; K119-H121 VanDerWaalsContact C-N 3.33Å; H121-L123 VanDerWaalsContact C-N 3.33Å; H121-L123 PolarHBondContact O-N 3.1Å; H121-C124 HydrophobicContact CB-CB 4Å; H121-C124 PolarHBondContact ND1-SG 2.66Å; H121-C124 WeakPolarHBondContact O-CB 3.32Å; H121-C124 PolarHBondContact O-N 3Å; H121-S125 PolarHBondContact O-N 3.09Å
122G92.3Very high95.6Very high59 Ų5938.1 Ų38.161%0.60822%0.219SC*.Hα-helixtrans-55.8-42.9-172.800000113.9G120 S125 L126G120-G122 PolarHBondContact O-N 3.3Å; G122-S125 PolarHBondContact O-N 3.46Å; G122-L126 PolarHBondContact O-N 2.82Å
123L94.6Very high95.6Very high8 Ų843.7 Ų43.74%0.04224%0.243CC..Hα-helixtrans-70-32.6178.9-170.754.9000112.6H121 L126 I127 P161 P178 V186H121-L123 VanDerWaalsContact C-N 3.33Å; H121-L123 PolarHBondContact O-N 3.1Å; L123-L126 HydrophobicContact CD1-CD2 4.01Å; L123-L126 PolarHBondContact O-N 3.09Å; L123-I127 HydrophobicContact CG-CD1 4.24Å; L123-I127 WeakPolarHBondContact O-CG1 3Å; L123-I127 PolarHBondContact O-N 3Å; L123-P161 HydrophobicContact CB-CG 4.16Å; L123-P161 HydrophobicContact CD2-CG 3.75Å; L123-P161 HydrophobicContact CG-CG 3.62Å; L123-P178 HydrophobicContact CD2-CB 3.6Å; L123-P178 HydrophobicContact CD2-CG 4.04Å; L123-V186 HydrophobicContact CD1-CG1 3.99Å
124C96.2Very high95.5Very high1 Ų143.7 Ų43.71%0.00724%0.243CC..Hα-helixtrans-65.9-43.7174.5-62.90000110.2H115 H121 L126 I127 D128H115-C124 PolarHBondContact CE1-O 2.8Å; H115-C124 VanDerWaalsContact CE1-O 3.23Å; H121-C124 HydrophobicContact CB-CB 4Å; H121-C124 PolarHBondContact ND1-SG 2.66Å; H121-C124 WeakPolarHBondContact O-CB 3.32Å; H121-C124 PolarHBondContact O-N 3Å; C124-L126 VanDerWaalsContact C-N 3.3Å; C124-L126 PolarHBondContact O-N 3.06Å; C124-I127 PolarHBondContact O-N 2.72Å; C124-D128 VanDerWaalsContact O-CG 3.31Å; C124-D128 PolarHBondContact O-N 3.21Å
125S95.6Very high95.5Very high59 Ų5943.7 Ų43.741%0.41324%0.243SC..Hα-helixtrans-61.6-38.9176.4-168.90000112.4H121 G122 D128 Q129H121-S125 PolarHBondContact O-N 3.09Å; G122-S125 PolarHBondContact O-N 3.46Å; S125-D128 PolarHBondContact O-N 3.15Å; S125-Q129 WeakPolarHBondContact O-CG 3.45Å; S125-Q129 PolarHBondContact O-N 3.42Å; S125-Q129 VanDerWaalsContact O-N 3.16Å
126L96Very high95.3Very high46 Ų4650.8 Ų50.824%0.24128%0.276CS..Hα-helixtrans-62.2-46174.8-17863000111.4G122 L123 C124 D128 Q129 H130 V186G122-L126 PolarHBondContact O-N 2.82Å; L123-L126 HydrophobicContact CD1-CD2 4.01Å; L123-L126 PolarHBondContact O-N 3.09Å; C124-L126 VanDerWaalsContact C-N 3.3Å; C124-L126 PolarHBondContact O-N 3.06Å; L126-D128 PolarHBondContact O-N 3.26Å; L126-Q129 WeakPolarHBondContact O-CB 3.48Å; L126-Q129 PolarHBondContact O-N 2.87Å; L126-H130 PolarHBondContact O-CD2 3.46Å; L126-H130 PolarHBondContact O-N 3.4Å; L126-H130 VanDerWaalsContact O-N 3.12Å; L126-V186 HydrophobicContact CD2-CG1 4.26Å
127I96.9Very high95.2Very high0 Ų056.4 Ų56.40%030%0.3CS..Hα-helixtrans-65.8-38.7178.1-68.1163.5000111.3H115 L123 C124 Q129 H130 F131 P161 I163 I181 V186H115-I127 HydrophobicContact CB-CG2 4.29Å; L123-I127 HydrophobicContact CG-CD1 4.24Å; L123-I127 WeakPolarHBondContact O-CG1 3Å; L123-I127 PolarHBondContact O-N 3Å; C124-I127 PolarHBondContact O-N 2.72Å; I127-Q129 PolarHBondContact O-N 3.47Å; I127-H130 CarbonylContact O-C 3.58Å; I127-H130 PolarHBondContact O-N 3.3Å; I127-H130 VanDerWaalsContact O-N 3.08Å; I127-F131 HydrophobicContact CG2-CD2 3.51Å; I127-F131 HydrophobicContact CG2-CE2 3.5Å; I127-F131 VanDerWaalsContact CG2-CE2 3.5Å; I127-F131 HydrophobicContact CG2-CG 4.47Å; I127-F131 HydrophobicContact CG2-CZ 4.46Å; I127-F131 WeakPolarHBondContact O-CB 3.42Å; I127-F131 WeakPolarHBondContact O-CD2 3.29Å; I127-F131 PolarHBondContact O-N 2.8Å; I127-P161 HydrophobicContact CD1-CB 3.42Å; I127-P161 VanDerWaalsContact CD1-CB 3.42Å; I127-P161 HydrophobicContact CD1-CG 3.16Å; I127-I163 HydrophobicContact CG2-CD1 4.4Å; I127-I181 HydrophobicContact CD1-CD1 3.92Å; I127-I181 HydrophobicContact CD1-CG2 3.74Å; I127-I181 HydrophobicContact CG1-CG2 4.3Å; I127-V186 HydrophobicContact CG1-CG1 4.29Å
128D96.8Very high95.1Very high29 Ų2957.2 Ų57.216%0.15530%0.304CS..Hα-helixtrans-58.4-37.9174.3-71.6-29.9000111.9H115 C124 S125 L126 R132H115-D128 IonicContact CE1-OD1 2.65Å; H115-D128 PolarHBondContact CE1-OD1 3.11Å; H115-D128 VanDerWaalsContact CE1-OD1 3.26Å; H115-D128 IonicContact CG-OD1 2.68Å; H115-D128 IonicContact ND1-OD1 3.54Å; H115-D128 PolarHBondContact ND1-OD1 2.87Å; C124-D128 VanDerWaalsContact O-CG 3.31Å; C124-D128 PolarHBondContact O-N 3.21Å; S125-D128 PolarHBondContact O-N 3.15Å; L126-D128 PolarHBondContact O-N 3.26Å; D128-R132 WeakPolarHBondContact O-CG 3.1Å; D128-R132 PolarHBondContact O-N 3.37Å; D128-R132 VanDerWaalsContact O-N 3.13Å
129Q96.5Very high95Very high89 Ų8955.2 Ų55.242%0.41630%0.298SS..Hα-helixtrans-66.1-42.2174.3-67.5177.320.800112S125 L126 I127 R132 K133S125-Q129 WeakPolarHBondContact O-CG 3.45Å; S125-Q129 PolarHBondContact O-N 3.42Å; S125-Q129 VanDerWaalsContact O-N 3.16Å; L126-Q129 WeakPolarHBondContact O-CB 3.48Å; L126-Q129 PolarHBondContact O-N 2.87Å; I127-Q129 PolarHBondContact O-N 3.47Å; Q129-R132 VanDerWaalsContact CG-NH2 3.35Å; Q129-R132 PolarHBondContact O-N 3.34Å; Q129-K133 PolarHBondContact O-N 2.82Å
130H96.8Very high95Very high14 Ų1451.5 Ų51.57%0.06529%0.287CS..Hα-helixtrans-67.2-41.9177.3-61.4-29.9000111.5L126 I127 R132 K133 L134 V186 S188 L191L126-H130 PolarHBondContact O-CD2 3.46Å; L126-H130 PolarHBondContact O-N 3.4Å; L126-H130 VanDerWaalsContact O-N 3.12Å; I127-H130 CarbonylContact O-C 3.58Å; I127-H130 PolarHBondContact O-N 3.3Å; I127-H130 VanDerWaalsContact O-N 3.08Å; H130-R132 VanDerWaalsContact C-N 3.32Å; H130-R132 PolarHBondContact O-N 3.14Å; H130-K133 WeakPolarHBondContact O-CB 3.37Å; H130-K133 PolarHBondContact O-N 3.43Å; H130-K133 VanDerWaalsContact O-N 3.11Å; H130-L134 VanDerWaalsContact O-CG 3.32Å; H130-L134 WeakPolarHBondContact O-CG 2.98Å; H130-L134 PolarHBondContact O-N 3.33Å; H130-V186 PolarHBondContact NE2-O 2.88Å; H130-S188 PolarHBondContact CE1-N 2.93Å; H130-S188 WeakPolarHBondContact ND1-CB 3.45Å; H130-L191 HydrophobicContact CB-CD2 4.02Å
131F97.4Very high95.3Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-58-42.2175.9-94.3-126.2000111.7V92 V113 H115 I127 K133 L134 A135 F143 I163 L191V92-F131 VanDerWaalsContact CG2-C 3.46Å; V92-F131 HydrophobicContact CG2-CB 3.89Å; V92-F131 WeakPolarHBondContact CG2-O 3.42Å; V113-F131 HydrophobicContact CG1-CE1 3.96Å; V113-F131 HydrophobicContact CG1-CZ 3.73Å; H115-F131 HydrophobicContact CB-CD1 3.89Å; H115-F131 HydrophobicContact CB-CD2 4.48Å; H115-F131 HydrophobicContact CB-CE1 3.48Å; H115-F131 VanDerWaalsContact CB-CE1 3.48Å; H115-F131 HydrophobicContact CB-CE2 4.1Å; H115-F131 HydrophobicContact CB-CG 4.39Å; H115-F131 HydrophobicContact CB-CZ 3.6Å; I127-F131 HydrophobicContact CG2-CD2 3.51Å; I127-F131 HydrophobicContact CG2-CE2 3.5Å; I127-F131 VanDerWaalsContact CG2-CE2 3.5Å; I127-F131 HydrophobicContact CG2-CG 4.47Å; I127-F131 HydrophobicContact CG2-CZ 4.46Å; I127-F131 WeakPolarHBondContact O-CB 3.42Å; I127-F131 WeakPolarHBondContact O-CD2 3.29Å; I127-F131 PolarHBondContact O-N 2.8Å; F131-K133 VanDerWaalsContact C-N 3.33Å; F131-K133 PolarHBondContact O-N 3.42Å; F131-L134 PolarHBondContact O-N 3.26Å; F131-A135 VanDerWaalsContact O-CB 3.29Å; F131-A135 WeakPolarHBondContact O-CB 3.27Å; F131-A135 PolarHBondContact O-N 3.06Å; F131-F143 HydrophobicContact CD1-CB 4.25Å; F131-F143 AromaticContact CD1-CD1 3.74Å; F131-F143 HydrophobicContact CD1-CD1 3.74Å; F131-F143 HydrophobicContact CD1-CG 4.47Å; F131-F143 AromaticContact CE1-CD1 3.88Å; F131-F143 HydrophobicContact CE1-CD1 3.88Å; F131-F143 HydrophobicContact CG-CD1 4.22Å; F131-F143 HydrophobicContact CZ-CD1 4.49Å; F131-I163 HydrophobicContact CE2-CD1 3.86Å; F131-I163 HydrophobicContact CE2-CG1 4.26Å; F131-I163 HydrophobicContact CZ-CD1 4.16Å; F131-I163 HydrophobicContact CZ-CG1 4.13Å; F131-I163 HydrophobicContact CZ-CG2 4.2Å; F131-L191 HydrophobicContact CD2-CD2 3.82Å; F131-L191 HydrophobicContact CE2-CD2 3.72Å
132R97.4Very high95.6Very high123 Ų12345.5 Ų45.546%0.46424%0.236SC..Hα-helixtrans-60.2-42.1175.4-76.2-174.7-72.8-91.81.8112.5V92 D128 Q129 H130 Q136V92-R132 HydrophobicContact CG2-CG 4.05Å; D128-R132 WeakPolarHBondContact O-CG 3.1Å; D128-R132 PolarHBondContact O-N 3.37Å; D128-R132 VanDerWaalsContact O-N 3.13Å; Q129-R132 VanDerWaalsContact CG-NH2 3.35Å; Q129-R132 PolarHBondContact O-N 3.34Å; H130-R132 VanDerWaalsContact C-N 3.32Å; H130-R132 PolarHBondContact O-N 3.14Å; R132-Q136 WeakPolarHBondContact O-CG 3.35Å; R132-Q136 PolarHBondContact O-N 3.19Å
133K96.6Very high95.8Very high117 Ų11742.8 Ų42.851%0.50921%0.207SC..Hα-helixtrans-67.3-42.7176.9-66.7173.4-177.4172.20111.6Q129 H130 F131 K137Q129-K133 PolarHBondContact O-N 2.82Å; H130-K133 WeakPolarHBondContact O-CB 3.37Å; H130-K133 PolarHBondContact O-N 3.43Å; H130-K133 VanDerWaalsContact O-N 3.11Å; F131-K133 VanDerWaalsContact C-N 3.33Å; F131-K133 PolarHBondContact O-N 3.42Å; K133-K137 WeakPolarHBondContact O-CB 3.43Å; K133-K137 PolarHBondContact O-N 3.34Å; K133-K137 VanDerWaalsContact O-N 3.14Å
134L96.4Very high96Very high0 Ų042.5 Ų42.50%021%0.206CC..Hα-helixtrans-67.9-40.7179.6-68.1173.6000112H130 F131 Q136 K137 F138 F143 L191 E192 L195H130-L134 VanDerWaalsContact O-CG 3.32Å; H130-L134 WeakPolarHBondContact O-CG 2.98Å; H130-L134 PolarHBondContact O-N 3.33Å; F131-L134 PolarHBondContact O-N 3.26Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 PolarHBondContact O-N 3.02Å; L134-K137 PolarHBondContact O-N 3.4Å; L134-K137 VanDerWaalsContact O-N 3.15Å; L134-F138 HydrophobicContact CD2-CD2 4.16Å; L134-F138 HydrophobicContact CD2-CE2 3.91Å; L134-F138 WeakPolarHBondContact O-CD2 3.34Å; L134-F138 PolarHBondContact O-N 3.4Å; L134-F143 HydrophobicContact CB-CE1 3.96Å; L134-F143 HydrophobicContact CB-CE2 4.3Å; L134-F143 HydrophobicContact CB-CZ 3.75Å; L134-F143 HydrophobicContact CD1-CE1 4.4Å; L134-L191 HydrophobicContact CD1-CB 4.28Å; L134-L191 HydrophobicContact CD1-CD2 3.55Å; L134-L191 HydrophobicContact CD1-CG 3.72Å; L134-E192 HydrophobicContact CD2-CB 3.79Å; L134-E192 HydrophobicContact CD2-CG 4.17Å; L134-L195 HydrophobicContact CD1-CD1 4.17Å
135A96.6Very high96Very high0 Ų043 Ų430%021%0.208CC..Hα-helixtrans-60.7-42177.500000112.2G90 V92 F131 K137 F138 F143G90-A135 CarbonylContact C-O 3.58Å; G90-A135 VanDerWaalsContact CA-O 3.27Å; G90-A135 WeakPolarHBondContact CA-O 3.38Å; G90-A135 CarbonylContact O-C 3.54Å; V92-A135 HydrophobicContact CG2-CB 3.8Å; F131-A135 VanDerWaalsContact O-CB 3.29Å; F131-A135 WeakPolarHBondContact O-CB 3.27Å; F131-A135 PolarHBondContact O-N 3.06Å; A135-K137 VanDerWaalsContact C-N 3.33Å; A135-F138 CarbonylContact O-C 3.37Å; A135-F143 HydrophobicContact CB-CB 3.98Å; A135-F143 HydrophobicContact CB-CD2 3.77Å; A135-F143 HydrophobicContact CB-CG 4.06Å
136Q95.1Very high96Very high150 Ų15040.2 Ų40.270%0.70119%0.188SC*.Hα-helixtrans-66.9-36.1175.6-70.61762.300112.3G90 R132 L134G90-Q136 WeakPolarHBondContact O-CG 3.49Å; G90-Q136 PolarHBondContact O-N 3.46Å; R132-Q136 WeakPolarHBondContact O-CG 3.35Å; R132-Q136 PolarHBondContact O-N 3.19Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 PolarHBondContact O-N 3.02Å
137K94.1Very high96Very high117 Ų11739 Ų3951%0.50918%0.181SC..Hα-helixtrans-77.8-32.2-178.2-174.4173.9171.2-173.80113K133 L134 A135 P139 E192K133-K137 WeakPolarHBondContact O-CB 3.43Å; K133-K137 PolarHBondContact O-N 3.34Å; K133-K137 VanDerWaalsContact O-N 3.14Å; L134-K137 PolarHBondContact O-N 3.4Å; L134-K137 VanDerWaalsContact O-N 3.15Å; A135-K137 VanDerWaalsContact C-N 3.33Å; K137-P139 VanDerWaalsContact C-CD 3.45Å; K137-P139 WeakPolarHBondContact O-CD 3.44Å; K137-E192 IonicContact NZ-OE1 3.57Å; K137-E192 PolarHBondContact NZ-OE1 3.5Å; K137-E192 IonicContact NZ-OE2 3.16Å; K137-E192 PolarHBondContact NZ-OE2 2.96Å
138F94.8Very high95.9Very high17 Ų1739.2 Ų39.28%0.07518%0.183CC..  trans-123.772.4-175.1-59.5-73.6000110.7L134 A135 T140 V141 F143 E192 L201 E202L134-F138 HydrophobicContact CD2-CD2 4.16Å; L134-F138 HydrophobicContact CD2-CE2 3.91Å; L134-F138 WeakPolarHBondContact O-CD2 3.34Å; L134-F138 PolarHBondContact O-N 3.4Å; A135-F138 CarbonylContact O-C 3.37Å; F138-T140 PolarHBondContact O-N 3.36Å; F138-V141 PolarHBondContact O-N 3.15Å; F138-V141 VanDerWaalsContact O-N 3.09Å; F138-F143 HydrophobicContact CB-CE2 4.32Å; F138-E192 HydrophobicContact CE2-CG 3.78Å; F138-E192 HydrophobicContact CZ-CG 3.87Å; F138-E192 WeakPolarHBondContact CZ-OE1 3.37Å; F138-L201 HydrophobicContact CD1-CB 4.06Å; F138-L201 HydrophobicContact CD1-CD1 4.43Å; F138-L201 HydrophobicContact CD2-CD2 3.84Å; F138-L201 HydrophobicContact CE1-CB 4.37Å; F138-L201 HydrophobicContact CE1-CD1 3.91Å; F138-L201 HydrophobicContact CE2-CD1 4.18Å; F138-L201 HydrophobicContact CE2-CD2 3.91Å; F138-L201 HydrophobicContact CG-CB 4.23Å; F138-L201 HydrophobicContact CG-CD2 4.18Å; F138-L201 HydrophobicContact CZ-CD1 3.76Å; F138-L201 HydrophobicContact CZ-CD2 4.31Å; F138-E202 WeakPolarHBondContact CE1-O 3.41Å
139P93.4Very high95.7Very high40 Ų4041.9 Ų41.926%0.2620%0.203SC..THydrogen-bonded Turntrans-67-6.5-179.529.7-37.5000113.5A87 R88 F89 K137 V141A87-P139 CarbonylContact C-O 3.55Å; A87-P139 WeakPolarHBondContact CA-O 3.28Å; A87-P139 HydrophobicContact CB-CB 4.02Å; A87-P139 HydrophobicContact CB-CG 3.81Å; R88-P139 PolarHBondContact N-O 2.77Å; F89-P139 WeakPolarHBondContact CA-O 3.22Å; F89-P139 VanDerWaalsContact CB-O 3.29Å; F89-P139 WeakPolarHBondContact CB-O 3.19Å; F89-P139 WeakPolarHBondContact CD2-O 3.41Å; F89-P139 PolarHBondContact N-O 3.33Å; F89-P139 WeakPolarHBondContact O-CA 3.32Å; F89-P139 WeakPolarHBondContact O-CB 3.31Å; K137-P139 VanDerWaalsContact C-CD 3.45Å; K137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-V141 VanDerWaalsContact C-N 3.33Å
140T92.4Very high95.6Very high61 Ų6142.4 Ų42.437%0.37421%0.209SC..THydrogen-bonded Turntrans-80.8-14.317455.40000113.3K86 A87 T110 F138K86-T140 HydrophobicContact CB-CG2 4.14Å; K86-T140 WeakPolarHBondContact O-CA 3.39Å; A87-T140 HydrophobicContact CB-CG2 4.3Å; T110-T140 WeakPolarHBondContact CG2-O 3.45Å; F138-T140 PolarHBondContact O-N 3.36Å
141V95Very high95.4Very high2 Ų242.2 Ų42.21%0.01221%0.209CC..SBendtrans-113.3136.1-177.5-179.40000109.8F89 F111 V113 F138 P139 F143 V200 L201F89-V141 WeakPolarHBondContact CB-O 3.37Å; F111-V141 HydrophobicContact CB-CG1 4.17Å; V113-V141 HydrophobicContact CG2-CG1 3.75Å; F138-V141 PolarHBondContact O-N 3.15Å; F138-V141 VanDerWaalsContact O-N 3.09Å; P139-V141 VanDerWaalsContact C-N 3.33Å; V141-F143 HydrophobicContact CB-CD2 4.33Å; V141-F143 HydrophobicContact CB-CE2 3.76Å; V141-F143 HydrophobicContact CB-CZ 4.35Å; V141-F143 HydrophobicContact CG1-CD2 4.2Å; V141-F143 HydrophobicContact CG1-CE2 3.77Å; V141-F143 HydrophobicContact CG1-CZ 4.03Å; V141-F143 WeakPolarHBondContact O-CD2 3.43Å; V141-F143 PolarHBondContact O-N 3.45Å; V141-V200 HydrophobicContact CG1-CG1 4.05Å; V141-V200 HydrophobicContact CG2-CG1 4.45Å; V141-V200 WeakPolarHBondContact CG2-O 3.21Å; V141-L201 HydrophobicContact CG2-CB 4.21Å
142K96.1Very high95.1Very high24 Ų2444.9 Ų44.910%0.10422%0.223CC..EExtended strand (participates in β ladder)trans-87.8107.9179.1-171.6177.9-170.8179.70110.4F89 E103 F111 V112 V113 L144F89-K142 HydrophobicContact CD1-CB 3.77Å; F89-K142 HydrophobicContact CD1-CD 4.22Å; F89-K142 HydrophobicContact CD1-CG 3.66Å; F89-K142 HydrophobicContact CD2-CB 4.16Å; F89-K142 HydrophobicContact CE1-CB 3.68Å; F89-K142 HydrophobicContact CE1-CD 3.57Å; F89-K142 HydrophobicContact CE1-CG 3.53Å; F89-K142 HydrophobicContact CE2-CB 4.11Å; F89-K142 HydrophobicContact CG-CB 4Å; F89-K142 HydrophobicContact CG-CG 4.36Å; F89-K142 HydrophobicContact CZ-CB 3.85Å; F89-K142 HydrophobicContact CZ-CD 4.05Å; F89-K142 HydrophobicContact CZ-CG 4.16Å; E103-K142 PolarHBondContact O-NZ 2.89Å; E103-K142 WeakPolarHBondContact OE2-CE 3.4Å; E103-K142 IonicContact OE2-NZ 2.66Å; E103-K142 PolarHBondContact OE2-NZ 3.21Å; F111-K142 PolarHBondContact O-N 3.44Å; V112-K142 CarbonylContact C-O 3.37Å; V112-K142 WeakPolarHBondContact CA-O 3.49Å; V112-K142 HydrophobicContact CG1-CB 4.48Å; V112-K142 HydrophobicContact CG1-CD 4.36Å; V112-K142 HydrophobicContact CG1-CG 4.45Å; V112-K142 HydrophobicContact CG2-CB 4.24Å; V112-K142 HydrophobicContact CG2-CD 4.09Å; V113-K142 PolarHBondContact N-O 2.97Å; K142-L144 HydrophobicContact CG-CD2 4.35Å; K142-L144 HydrophobicContact CG-CG 4.32Å
143F97.8Very high94.7Very high2 Ų242.9 Ų42.91%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-93.8127.3174.9-69.6-91.5000111.1V92 R93 V113 F131 L134 A135 F138 V141 L195V92-F143 WeakPolarHBondContact CA-O 3.41Å; V92-F143 HydrophobicContact CG2-CB 4.12Å; R93-F143 PolarHBondContact N-O 3.02Å; V113-F143 HydrophobicContact CB-CD1 3.99Å; V113-F143 HydrophobicContact CB-CE1 4.08Å; V113-F143 HydrophobicContact CG1-CD1 4.25Å; V113-F143 HydrophobicContact CG1-CE1 4.2Å; V113-F143 HydrophobicContact CG2-CE1 4.39Å; V113-F143 CarbonylContact O-C 3.54Å; V113-F143 WeakPolarHBondContact O-CA 3.31Å; F131-F143 HydrophobicContact CD1-CB 4.25Å; F131-F143 AromaticContact CD1-CD1 3.74Å; F131-F143 HydrophobicContact CD1-CD1 3.74Å; F131-F143 HydrophobicContact CD1-CG 4.47Å; F131-F143 AromaticContact CE1-CD1 3.88Å; F131-F143 HydrophobicContact CE1-CD1 3.88Å; F131-F143 HydrophobicContact CG-CD1 4.22Å; F131-F143 HydrophobicContact CZ-CD1 4.49Å; L134-F143 HydrophobicContact CB-CE1 3.96Å; L134-F143 HydrophobicContact CB-CE2 4.3Å; L134-F143 HydrophobicContact CB-CZ 3.75Å; L134-F143 HydrophobicContact CD1-CE1 4.4Å; A135-F143 HydrophobicContact CB-CB 3.98Å; A135-F143 HydrophobicContact CB-CD2 3.77Å; A135-F143 HydrophobicContact CB-CG 4.06Å; F138-F143 HydrophobicContact CB-CE2 4.32Å; V141-F143 HydrophobicContact CB-CD2 4.33Å; V141-F143 HydrophobicContact CB-CE2 3.76Å; V141-F143 HydrophobicContact CB-CZ 4.35Å; V141-F143 HydrophobicContact CG1-CD2 4.2Å; V141-F143 HydrophobicContact CG1-CE2 3.77Å; V141-F143 HydrophobicContact CG1-CZ 4.03Å; V141-F143 WeakPolarHBondContact O-CD2 3.43Å; V141-F143 PolarHBondContact O-N 3.45Å; F143-L195 HydrophobicContact CE1-CD1 3.95Å; F143-L195 HydrophobicContact CZ-CD1 4.24Å
144L97.5Very high94.5Very high1 Ų145 Ų451%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-124.5154.6178.6-61.6177.8000111R93 V95 E103 V104 V112 V113 I114 H115 K142R93-L144 HydrophobicContact CB-CD2 3.8Å; R93-L144 CarbonylContact O-C 3.57Å; R93-L144 VanDerWaalsContact O-CA 3.31Å; R93-L144 WeakPolarHBondContact O-CA 3.45Å; V95-L144 HydrophobicContact CB-CD1 4.47Å; V95-L144 HydrophobicContact CG1-CB 4.27Å; E103-L144 HydrophobicContact CB-CD1 4.02Å; V104-L144 HydrophobicContact CG2-CD1 3.89Å; V112-L144 HydrophobicContact CG1-CD1 3.57Å; V112-L144 HydrophobicContact CG1-CG 4.1Å; V113-L144 PolarHBondContact O-N 3.24Å; I114-L144 WeakPolarHBondContact CA-O 3.33Å; I114-L144 HydrophobicContact CB-CB 4.49Å; I114-L144 HydrophobicContact CG1-CB 4.18Å; I114-L144 HydrophobicContact CG1-CD1 4.35Å; I114-L144 HydrophobicContact CG2-CB 4.25Å; H115-L144 PolarHBondContact N-O 3.13Å; K142-L144 HydrophobicContact CG-CD2 4.35Å; K142-L144 HydrophobicContact CG-CG 4.32Å
145R97.1Very high94.3Very high13 Ų1346.9 Ų46.95%0.04925%0.25CC..EExtended strand (participates in β ladder)trans-123.3121.6173.8-178-85.9170.5-177.3-4.3109.2V92 R93 E94 V95 H115 E147V92-R145 HydrophobicContact CG1-CB 3.81Å; R93-R145 PolarHBondContact O-N 3.12Å; E94-R145 CarbonylContact C-O 3.58Å; E94-R145 WeakPolarHBondContact CA-O 3.44Å; V95-R145 PolarHBondContact N-O 3.2Å; H115-R145 CarbonylContact O-C 3.57Å; H115-R145 WeakPolarHBondContact O-CA 3.25Å; R145-E147 IonicContact CZ-OE2 3.98Å; R145-E147 IonicContact NH1-OE2 2.64Å; R145-E147 PolarHBondContact NH1-OE2 3.5Å; R145-E147 IonicContact NH2-OE1 2.73Å; R145-E147 IonicContact NH2-OE2 3.26Å; R145-E147 PolarHBondContact NH2-OE2 3.39Å
146G96.2Very high94.2Very high0 Ų049.8 Ų49.80%027%0.269CS..EExtended strand (participates in β ladder)trans-110.8133.4174.700000111.5H115 V116 G117 A148 C151H115-G146 PolarHBondContact O-N 3.48Å; V116-G146 WeakPolarHBondContact CA-O 3.35Å; G117-G146 PolarHBondContact N-O 3.38Å; G146-A148 PolarHBondContact O-N 3.05Å; G146-C151 VanDerWaalsContact CA-SG 3.56Å
147E95.7Very high94.1Very high20 Ų2046.7 Ų46.79%0.09326%0.26CS..EExtended strand (participates in β ladder)trans-72.5126.3164.5-167.982.5-138.800108.3G117 E118 K119 R145 S149 L150 C151G117-E147 WeakPolarHBondContact O-CA 3.28Å; E118-E147 VanDerWaalsContact CA-OE1 3.31Å; E118-E147 WeakPolarHBondContact CA-OE1 3.5Å; K119-E147 WeakPolarHBondContact CE-OE2 3.42Å; K119-E147 PolarHBondContact N-OE1 2.89Å; R145-E147 IonicContact CZ-OE2 3.98Å; R145-E147 IonicContact NH1-OE2 2.64Å; R145-E147 PolarHBondContact NH1-OE2 3.5Å; R145-E147 IonicContact NH2-OE1 2.73Å; R145-E147 IonicContact NH2-OE2 3.26Å; R145-E147 PolarHBondContact NH2-OE2 3.39Å; E147-S149 VanDerWaalsContact C-N 3.26Å; E147-S149 WeakPolarHBondContact CG-OG 3.29Å; E147-S149 PolarHBondContact O-N 3.3Å; E147-L150 HydrophobicContact CB-CB 3.97Å; E147-L150 HydrophobicContact CB-CD1 3.85Å; E147-L150 HydrophobicContact CB-CG 3.83Å; E147-L150 HydrophobicContact CG-CD1 4.31Å; E147-L150 HydrophobicContact CG-CG 4.09Å; E147-L150 PolarHBondContact O-N 3.16Å; E147-C151 WeakPolarHBondContact O-CB 3.4Å; E147-C151 PolarHBondContact O-N 3.42Å; E147-C151 PolarHBondContact O-SG 2.78Å
148A94.8Very high94Very high5 Ų545.5 Ų45.54%0.04127%0.267CS..Hα-helixtrans-50.8-47.6-178.700000112.2V116 G117 G146 L150 C151 I152 Y155 L160V116-A148 HydrophobicContact CG1-CB 3.93Å; G117-A148 PolarHBondContact O-N 3.26Å; G146-A148 PolarHBondContact O-N 3.05Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 3.13Å; A148-C151 PolarHBondContact O-N 2.88Å; A148-I152 CarbonylContact O-C 3.54Å; A148-I152 PolarHBondContact O-N 3.08Å; A148-Y155 HydrophobicContact CB-CD1 4.17Å; A148-Y155 HydrophobicContact CB-CG 4.44Å; A148-L160 HydrophobicContact CB-CD1 4.25Å; A148-L160 HydrophobicContact CB-CD2 3.84Å
149S92.9Very high94Very high84 Ų8447.3 Ų47.359%0.58728%0.277SS*.Hα-helixtrans-67.3-27179.759.30000114.7E147E147-S149 VanDerWaalsContact C-N 3.26Å; E147-S149 WeakPolarHBondContact CG-OG 3.29Å; E147-S149 PolarHBondContact O-N 3.3Å
150L93.6Very high94.1Very high101 Ų10145.5 Ų45.553%0.52927%0.265SS..Hα-helixtrans-92.2-21.3-179.7-58.6179000113.1K97 E147 A148K97-L150 WeakPolarHBondContact CB-O 3.33Å; K97-L150 PolarHBondContact N-O 2.92Å; E147-L150 HydrophobicContact CB-CB 3.97Å; E147-L150 HydrophobicContact CB-CD1 3.85Å; E147-L150 HydrophobicContact CB-CG 3.83Å; E147-L150 HydrophobicContact CG-CD1 4.31Å; E147-L150 HydrophobicContact CG-CG 4.09Å; E147-L150 PolarHBondContact O-N 3.16Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 3.13Å
151C92.4Very high94.3Very high10 Ų1042.6 Ų42.67%0.06825%0.247CC..Hα-helixtrans-95.6-46.3179.4-65.20000111.8V95 W100 G146 E147 A148V95-C151 PolarHBondContact O-SG 3.42Å; W100-C151 HydrophobicContact CE3-CB 4.25Å; W100-C151 HydrophobicContact CZ3-CB 4.09Å; G146-C151 VanDerWaalsContact CA-SG 3.56Å; E147-C151 WeakPolarHBondContact O-CB 3.4Å; E147-C151 PolarHBondContact O-N 3.42Å; E147-C151 PolarHBondContact O-SG 2.78Å; A148-C151 PolarHBondContact O-N 2.88Å
152I90.8Very high94.4Very high56 Ų5642.5 Ų42.529%0.28725%0.247SC..SBendtrans-131.2109.8-170.4-52.1169.8000109.4A148 N154 Y155A148-I152 CarbonylContact O-C 3.54Å; A148-I152 PolarHBondContact O-N 3.08Å; I152-N154 PolarHBondContact O-N 3.28Å; I152-Y155 HydrophobicContact CB-CD2 3.91Å; I152-Y155 HydrophobicContact CB-CG 4.39Å; I152-Y155 HydrophobicContact CD1-CD2 3.66Å; I152-Y155 HydrophobicContact CD1-CE2 3.81Å; I152-Y155 HydrophobicContact CG1-CD2 4.39Å; I152-Y155 HydrophobicContact CG2-CD2 3.77Å; I152-Y155 PolarHBondContact O-N 3.21Å
153P90.4Very high94.4Very high80 Ų8041.5 Ų41.552%0.51924%0.242SC..THydrogen-bonded Turntrans-56.5132.6179-2433.5000111.8Y155P153-Y155 VanDerWaalsContact C-N 3.25Å; P153-Y155 PolarHBondContact O-N 3.34Å
154N91.3Very high94.4Very high162 Ų16242 Ų4287%0.86625%0.245SC*.THydrogen-bonded Turntrans56.632.9178.3-52.4-46.3000114.4I152 P156I152-N154 PolarHBondContact O-N 3.28Å; N154-P156 WeakPolarHBondContact O-CD 3.21Å
155Y93.2Very high94.4Very high39 Ų3942 Ų4215%0.15325%0.245CC..  trans-60.9124.8175.2-162.7-97.3000111A148 I152 P153 T157 N159 L160 S162A148-Y155 HydrophobicContact CB-CD1 4.17Å; A148-Y155 HydrophobicContact CB-CG 4.44Å; I152-Y155 HydrophobicContact CB-CD2 3.91Å; I152-Y155 HydrophobicContact CB-CG 4.39Å; I152-Y155 HydrophobicContact CD1-CD2 3.66Å; I152-Y155 HydrophobicContact CD1-CE2 3.81Å; I152-Y155 HydrophobicContact CG1-CD2 4.39Å; I152-Y155 HydrophobicContact CG2-CD2 3.77Å; I152-Y155 PolarHBondContact O-N 3.21Å; P153-Y155 VanDerWaalsContact C-N 3.25Å; P153-Y155 PolarHBondContact O-N 3.34Å; Y155-T157 PolarHBondContact O-N 3.31Å; Y155-N159 HydrophobicContact CD1-CB 4.45Å; Y155-N159 HydrophobicContact CE1-CB 3.57Å; Y155-L160 HydrophobicContact CD1-CD2 3.67Å; Y155-L160 HydrophobicContact CD1-CG 4.29Å; Y155-L160 HydrophobicContact CE1-CD2 3.65Å; Y155-L160 HydrophobicContact CE1-CG 4.37Å; Y155-S162 PolarHBondContact OH-OG 2.84Å
156P93.6Very high94.3Very high62 Ų6242.9 Ų42.940%0.40325%0.249SC..  trans-63.7129.9-176.6-23.233.6000112.5N154 S158 N159N154-P156 WeakPolarHBondContact O-CD 3.21Å; P156-S158 PolarHBondContact O-N 2.83Å; P156-N159 HydrophobicContact CB-CB 4.47Å; P156-N159 WeakPolarHBondContact O-CB 3.12Å; P156-N159 PolarHBondContact O-N 2.82Å
157T92.9Very high94.2Very high84 Ų8446.1 Ų46.152%0.51526%0.263SS..G310 helixtrans-60.4-29.1175.8-49.80000112.3Y155 N159 L160Y155-T157 PolarHBondContact O-N 3.31Å; T157-N159 PolarHBondContact O-N 2.88Å; T157-L160 HydrophobicContact CG2-CD1 4.29Å; T157-L160 WeakPolarHBondContact O-CB 3.32Å; T157-L160 PolarHBondContact O-N 3.46Å
158S92.9Very high94Very high93 Ų9348.3 Ų48.365%0.6528%0.28SS*.G310 helixtrans-60.8-23.917558.10000113.8P156 L160P156-S158 PolarHBondContact O-N 2.83Å; S158-L160 VanDerWaalsContact C-N 3.3Å
159N94.9Very high93.8Very high54 Ų5449.1 Ų49.129%0.28929%0.289SS..G310 helixtrans-89.8-0.1-179.8-70.612.8000111.8Y155 P156 T157 P161 S162 I176 G177Y155-N159 HydrophobicContact CD1-CB 4.45Å; Y155-N159 HydrophobicContact CE1-CB 3.57Å; P156-N159 HydrophobicContact CB-CB 4.47Å; P156-N159 WeakPolarHBondContact O-CB 3.12Å; P156-N159 PolarHBondContact O-N 2.82Å; T157-N159 PolarHBondContact O-N 2.88Å; N159-P161 CarbonylContact O-C 3.6Å; N159-P161 VanDerWaalsContact O-O 3.06Å; N159-S162 PolarHBondContact O-OG 3.04Å; N159-I176 HydrophobicContact CB-CG2 3.52Å; N159-G177 PolarHBondContact O-N 3.41Å; N159-G177 VanDerWaalsContact O-N 3.13Å
160L94.9Very high93.8Very high3 Ų349.4 Ų49.42%0.01628%0.284CS..  trans-90.1143.1178-59.6179000111.1V116 E118 A148 Y155 T157 S158 P178V116-L160 HydrophobicContact CG1-CD2 4.45Å; E118-L160 HydrophobicContact CB-CD1 3.57Å; A148-L160 HydrophobicContact CB-CD1 4.25Å; A148-L160 HydrophobicContact CB-CD2 3.84Å; Y155-L160 HydrophobicContact CD1-CD2 3.67Å; Y155-L160 HydrophobicContact CD1-CG 4.29Å; Y155-L160 HydrophobicContact CE1-CD2 3.65Å; Y155-L160 HydrophobicContact CE1-CG 4.37Å; T157-L160 HydrophobicContact CG2-CD1 4.29Å; T157-L160 WeakPolarHBondContact O-CB 3.32Å; T157-L160 PolarHBondContact O-N 3.46Å; S158-L160 VanDerWaalsContact C-N 3.3Å; L160-P178 WeakPolarHBondContact O-CD 3.31Å
161P96.3Very high93.9Very high0 Ų048.1 Ų48.10%028%0.278CS..SBendcis-73.4159.9-8.916.7-9.1000112H115 L123 I127 N159 G177 I181H115-P161 WeakPolarHBondContact NE2-CB 3.35Å; L123-P161 HydrophobicContact CB-CG 4.16Å; L123-P161 HydrophobicContact CD2-CG 3.75Å; L123-P161 HydrophobicContact CG-CG 3.62Å; I127-P161 HydrophobicContact CD1-CB 3.42Å; I127-P161 VanDerWaalsContact CD1-CB 3.42Å; I127-P161 HydrophobicContact CD1-CG 3.16Å; N159-P161 CarbonylContact O-C 3.6Å; N159-P161 VanDerWaalsContact O-O 3.06Å; P161-G177 CarbonylContact O-C 3.58Å; P161-G177 VanDerWaalsContact O-CA 3.28Å; P161-G177 WeakPolarHBondContact O-CA 3.42Å; P161-G177 PolarHBondContact O-N 2.79Å; P161-I181 VanDerWaalsContact C-CD1 3.47Å; P161-I181 HydrophobicContact CB-CD1 3.73Å; P161-I181 HydrophobicContact CG-CD1 3.74Å; P161-I181 WeakPolarHBondContact O-CD1 3.09Å
162S96.9Very high94Very high0 Ų052.8 Ų52.80%030%0.297CS..EExtended strand (participates in β ladder)trans-128.8139.2173.4-83.20000111.7H115 V116 Y155 N159 S175 I176H115-S162 CarbonylContact C-O 3.53Å; H115-S162 WeakPolarHBondContact CA-O 3.49Å; V116-S162 PolarHBondContact N-O 2.9Å; V116-S162 PolarHBondContact O-N 3.49Å; Y155-S162 PolarHBondContact OH-OG 2.84Å; N159-S162 PolarHBondContact O-OG 3.04Å; S162-S175 CarbonylContact C-O 3.58Å; S162-S175 VanDerWaalsContact CA-O 3.28Å; S162-S175 WeakPolarHBondContact CA-O 3.41Å; S162-I176 WeakPolarHBondContact OG-CA 3.37Å
163I97.4Very high94.3Very high2 Ų253.9 Ų53.91%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-116.9121.6174.3-61.1176.3000108.4V113 I114 I127 F131 I165 Q174 S175 I181 L191V113-I163 HydrophobicContact CG1-CG2 3.74Å; I114-I163 CarbonylContact O-C 3.48Å; I114-I163 VanDerWaalsContact O-CA 3.32Å; I114-I163 WeakPolarHBondContact O-CA 3.48Å; I127-I163 HydrophobicContact CG2-CD1 4.4Å; F131-I163 HydrophobicContact CE2-CD1 3.86Å; F131-I163 HydrophobicContact CE2-CG1 4.26Å; F131-I163 HydrophobicContact CZ-CD1 4.16Å; F131-I163 HydrophobicContact CZ-CG1 4.13Å; F131-I163 HydrophobicContact CZ-CG2 4.2Å; I163-I165 HydrophobicContact CG2-CG1 4.24Å; I163-Q174 WeakPolarHBondContact O-CA 3.39Å; I163-S175 PolarHBondContact N-O 2.92Å; I163-S175 PolarHBondContact O-N 2.86Å; I163-I181 HydrophobicContact CD1-CD1 4.19Å; I163-I181 HydrophobicContact CD1-CG1 4.12Å; I163-I181 HydrophobicContact CD1-CG2 4.07Å; I163-I181 HydrophobicContact CG1-CD1 3.98Å; I163-I181 HydrophobicContact CG1-CG1 4.27Å; I163-L191 HydrophobicContact CD1-CD1 3.53Å
164L96.8Very high94.5Very high13 Ų1354.6 Ų54.67%0.06830%0.297CS..EExtended strand (participates in β ladder)trans-114.5130.8179.5-54.3177.8000109.4W100 I114 V116 Y166 L171 Q174W100-L164 HydrophobicContact CH2-CD1 3.97Å; W100-L164 HydrophobicContact CZ2-CD1 4.27Å; I114-L164 HydrophobicContact CB-CB 4.47Å; I114-L164 PolarHBondContact N-O 3.26Å; I114-L164 PolarHBondContact O-N 2.86Å; V116-L164 HydrophobicContact CG2-CD1 3.94Å; V116-L164 HydrophobicContact CG2-CG 4.4Å; L164-Y166 HydrophobicContact CB-CD2 4.39Å; L164-Y166 HydrophobicContact CB-CE2 3.8Å; L164-L171 HydrophobicContact CB-CD1 4.2Å; L164-Q174 HydrophobicContact CD2-CB 3.68Å
165I96.9Very high94.8Very high1 Ų147.2 Ų47.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-117.3119-174.3-57.7173.7000108.5F111 V112 V113 I163 K172 E173 L195 L198 V200F111-I165 HydrophobicContact CD1-CG2 4.43Å; V112-I165 WeakPolarHBondContact O-CA 3.42Å; V113-I165 HydrophobicContact CG1-CG1 4.38Å; V113-I165 HydrophobicContact CG2-CG1 4.48Å; I163-I165 HydrophobicContact CG2-CG1 4.24Å; I165-K172 PolarHBondContact O-N 3.26Å; I165-E173 HydrophobicContact CB-CB 4.31Å; I165-E173 HydrophobicContact CD1-CB 4.2Å; I165-E173 PolarHBondContact N-O 2.64Å; I165-E173 PolarHBondContact O-N 3.3Å; I165-L195 HydrophobicContact CD1-CD2 3.59Å; I165-L195 HydrophobicContact CG1-CD2 4.34Å; I165-L198 HydrophobicContact CD1-CD1 3.51Å; I165-V200 HydrophobicContact CD1-CG2 4.24Å; I165-V200 HydrophobicContact CG2-CG2 3.63Å
166Y96.1Very high94.9Very high32 Ų3248.1 Ų48.113%0.12527%0.265CS..EExtended strand (participates in β ladder)trans-113.9149.4178.7-69.6-99.1000111.2W100 V104 F111 V112 I114 L164 D170 L171W100-Y166 AromaticContact CZ2-CE2 3.86Å; W100-Y166 HydrophobicContact CZ2-CE2 3.86Å; W100-Y166 AromaticContact CZ2-CZ 4Å; V104-Y166 HydrophobicContact CG1-CD1 3.81Å; V104-Y166 HydrophobicContact CG1-CD2 3.46Å; V104-Y166 VanDerWaalsContact CG1-CD2 3.46Å; V104-Y166 HydrophobicContact CG1-CE1 4.17Å; V104-Y166 HydrophobicContact CG1-CE2 3.83Å; V104-Y166 HydrophobicContact CG1-CG 3.45Å; V104-Y166 VanDerWaalsContact CG1-CG 3.45Å; F111-Y166 WeakPolarHBondContact CA-O 3.38Å; V112-Y166 PolarHBondContact N-O 2.78Å; V112-Y166 PolarHBondContact O-N 3.34Å; I114-Y166 HydrophobicContact CD1-CD2 3.89Å; I114-Y166 HydrophobicContact CD1-CE2 3.87Å; L164-Y166 HydrophobicContact CB-CD2 4.39Å; L164-Y166 HydrophobicContact CB-CE2 3.8Å; Y166-D170 CarbonylContact C-O 3.59Å; Y166-D170 WeakPolarHBondContact CA-O 3.46Å; Y166-L171 HydrophobicContact CD1-CB 4.15Å; Y166-L171 HydrophobicContact CD2-CD1 4.21Å; Y166-L171 HydrophobicContact CE1-CB 3.72Å; Y166-L171 HydrophobicContact CE1-CD1 4.12Å; Y166-L171 HydrophobicContact CE2-CD1 3.76Å
167K94.2Very high95Very high67 Ų6745.5 Ų45.529%0.29125%0.249SC..EExtended strand (participates in β ladder)trans-142.6127.4166.1-174.1-175.5-175.41750108.7D109 F111 G169 D170 K172D109-K167 WeakPolarHBondContact OD1-CE 3.34Å; D109-K167 IonicContact OD1-NZ 2.72Å; F111-K167 HydrophobicContact CD1-CB 3.89Å; F111-K167 HydrophobicContact CD1-CD 4.26Å; F111-K167 HydrophobicContact CD1-CG 4.21Å; F111-K167 HydrophobicContact CE1-CB 3.93Å; F111-K167 HydrophobicContact CE1-CD 3.71Å; F111-K167 HydrophobicContact CE1-CG 4.14Å; F111-K167 HydrophobicContact CE2-CD 4.16Å; F111-K167 HydrophobicContact CZ-CD 3.67Å; F111-K167 HydrophobicContact CZ-CG 4.47Å; K167-G169 PolarHBondContact O-N 3.46Å; K167-D170 PolarHBondContact N-O 3.23Å; K167-D170 PolarHBondContact O-N 3.04Å; K167-D170 VanDerWaalsContact O-N 3.09Å; K167-K172 HydrophobicContact CB-CD 4.49Å; K167-K172 HydrophobicContact CB-CG 3.91Å
168S91.6Very high95Very high66 Ų6643.2 Ų43.246%0.46224%0.236SC..THydrogen-bonded Turntrans55.935.1179.3-470000113.5G108 D170G108-S168 WeakPolarHBondContact O-CA 3.46Å; G108-S168 PolarHBondContact O-N 3.32Å; S168-D170 VanDerWaalsContact C-N 3.26Å; S168-D170 PolarHBondContact O-N 3.05Å
169G90.1Very high95Very high22 Ų2247.6 Ų47.623%0.22725%0.246CC..THydrogen-bonded Turntrans83.6-13.4-178.900000115.5T105 K167T105-G169 VanDerWaalsContact O-CA 3.32Å; T105-G169 WeakPolarHBondContact O-CA 3.39Å; K167-G169 PolarHBondContact O-N 3.46Å
170D93.8Very high94.9Very high91 Ų9147.1 Ų47.149%0.48725%0.25SC..EExtended strand (participates in β ladder)trans-87.3136.9177.1-61.8-33.5000111.6Y166 K167 S168 K172Y166-D170 CarbonylContact C-O 3.59Å; Y166-D170 WeakPolarHBondContact CA-O 3.46Å; K167-D170 PolarHBondContact N-O 3.23Å; K167-D170 PolarHBondContact O-N 3.04Å; K167-D170 VanDerWaalsContact O-N 3.09Å; S168-D170 VanDerWaalsContact C-N 3.26Å; S168-D170 PolarHBondContact O-N 3.05Å; D170-K172 HydrophobicContact CB-CD 4.28Å; D170-K172 VanDerWaalsContact CB-NZ 3.32Å; D170-K172 PolarHBondContact O-N 2.73Å; D170-K172 IonicContact OD2-NZ 3.98Å; D170-K172 PolarHBondContact OD2-NZ 2.82Å
171L94.6Very high94.8Very high74 Ų7447.7 Ų47.739%0.38725%0.252SS..EExtended strand (participates in β ladder)trans-70.4120.9166.8-178.566.6000109.1L164 Y166L164-L171 HydrophobicContact CB-CD1 4.2Å; Y166-L171 HydrophobicContact CD1-CB 4.15Å; Y166-L171 HydrophobicContact CD2-CD1 4.21Å; Y166-L171 HydrophobicContact CE1-CB 3.72Å; Y166-L171 HydrophobicContact CE1-CD1 4.12Å; Y166-L171 HydrophobicContact CE2-CD1 3.76Å
172K95.3Very high94.4Very high107 Ų10750 Ų5047%0.46528%0.276SS..EExtended strand (participates in β ladder)trans-99.5-40.8-179.2-59.8-55.1-178.8-166.60112.5I165 K167 D170I165-K172 PolarHBondContact O-N 3.26Å; K167-K172 HydrophobicContact CB-CD 4.49Å; K167-K172 HydrophobicContact CB-CG 3.91Å; D170-K172 HydrophobicContact CB-CD 4.28Å; D170-K172 VanDerWaalsContact CB-NZ 3.32Å; D170-K172 PolarHBondContact O-N 2.73Å; D170-K172 IonicContact OD2-NZ 3.98Å; D170-K172 PolarHBondContact OD2-NZ 2.82Å
173E95.7Very high94.2Very high79 Ų7950.9 Ų50.937%0.36929%0.286SS..EExtended strand (participates in β ladder)trans-153.4152.8-177.7-17357.1-98.800110.8I165 L198I165-E173 HydrophobicContact CB-CB 4.31Å; I165-E173 HydrophobicContact CD1-CB 4.2Å; I165-E173 PolarHBondContact N-O 2.64Å; I165-E173 PolarHBondContact O-N 3.3Å; E173-L198 HydrophobicContact CB-CD1 4.12Å; E173-L198 HydrophobicContact CG-CD1 3.73Å; E173-L198 HydrophobicContact CG-CD2 4.1Å
174Q95.8Very high93.8Very high96 Ų9656.6 Ų56.645%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-140.3120.8178.95317769.900111.3I163 L164 I176I163-Q174 WeakPolarHBondContact O-CA 3.39Å; L164-Q174 HydrophobicContact CD2-CB 3.68Å; Q174-I176 HydrophobicContact CB-CG1 4.31Å
175S96.3Very high93.5Very high6 Ų663.8 Ų63.84%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-103.5102.9171.7-44.30000108.1S162 I163S162-S175 CarbonylContact C-O 3.58Å; S162-S175 VanDerWaalsContact CA-O 3.28Å; S162-S175 WeakPolarHBondContact CA-O 3.41Å; I163-S175 PolarHBondContact N-O 2.92Å; I163-S175 PolarHBondContact O-N 2.86Å
176I96.5Very high93.3Very high59 Ų5963.8 Ų63.830%0.30335%0.351SS..EExtended strand (participates in β ladder)trans-105.4123.1-174.3-60.3-176.7000110.5N159 S162 Q174 A180N159-I176 HydrophobicContact CB-CG2 3.52Å; S162-I176 WeakPolarHBondContact OG-CA 3.37Å; Q174-I176 HydrophobicContact CB-CG1 4.31Å; I176-A180 WeakPolarHBondContact O-CB 3.47Å
177G95Very high93.2Very high6 Ų665.2 Ų65.26%0.06236%0.363CS..Hα-helixtrans84171.7176.600000114.1N159 P161 E179 A180 I181N159-G177 PolarHBondContact O-N 3.41Å; N159-G177 VanDerWaalsContact O-N 3.13Å; P161-G177 CarbonylContact O-C 3.58Å; P161-G177 VanDerWaalsContact O-CA 3.28Å; P161-G177 WeakPolarHBondContact O-CA 3.42Å; P161-G177 PolarHBondContact O-N 2.79Å; G177-E179 PolarHBondContact O-N 2.95Å; G177-A180 PolarHBondContact O-N 3.35Å; G177-I181 PolarHBondContact O-N 3.24Å
178P93.2Very high93.2Very high37 Ų3763.2 Ų63.224%0.2436%0.358CS..Hα-helixtrans-58.4-43.4-173.7-26.536.2000113.5L123 L160 I181 G182 G183L123-P178 HydrophobicContact CD2-CB 3.6Å; L123-P178 HydrophobicContact CD2-CG 4.04Å; L160-P178 WeakPolarHBondContact O-CD 3.31Å; P178-I181 PolarHBondContact O-N 3.4Å; P178-G182 PolarHBondContact O-N 2.88Å; P178-G183 VanDerWaalsContact O-CA 3.28Å; P178-G183 WeakPolarHBondContact O-CA 3.42Å; P178-G183 PolarHBondContact O-N 3.13Å
179E92.8Very high93.3Very high184 Ų18465.7 Ų65.786%0.8636%0.36SS*.Hα-helixtrans-64.1-43.7-175.8-64.1-176.5174.400112.2G177 I181 G182G177-E179 PolarHBondContact O-N 2.95Å; E179-I181 PolarHBondContact O-N 2.96Å; E179-G182 PolarHBondContact O-N 3.09Å
180A92.9Very high93.4Very high45 Ų4566.5 Ų66.537%0.37236%0.358SS..Hα-helixtrans-66-26.4-179.100000112.9I176 G177I176-A180 WeakPolarHBondContact O-CB 3.47Å; G177-A180 PolarHBondContact O-N 3.35Å
181I91.9Very high93.4Very high14 Ų1462.5 Ų62.57%0.07234%0.337CS..Hα-helixtrans-87.9-13.1-179.1-64.5169.3000112I127 P161 I163 G177 P178 E179 V186I127-I181 HydrophobicContact CD1-CD1 3.92Å; I127-I181 HydrophobicContact CD1-CG2 3.74Å; I127-I181 HydrophobicContact CG1-CG2 4.3Å; P161-I181 VanDerWaalsContact C-CD1 3.47Å; P161-I181 HydrophobicContact CB-CD1 3.73Å; P161-I181 HydrophobicContact CG-CD1 3.74Å; P161-I181 WeakPolarHBondContact O-CD1 3.09Å; I163-I181 HydrophobicContact CD1-CD1 4.19Å; I163-I181 HydrophobicContact CD1-CG1 4.12Å; I163-I181 HydrophobicContact CD1-CG2 4.07Å; I163-I181 HydrophobicContact CG1-CD1 3.98Å; I163-I181 HydrophobicContact CG1-CG1 4.27Å; G177-I181 PolarHBondContact O-N 3.24Å; P178-I181 PolarHBondContact O-N 3.4Å; E179-I181 PolarHBondContact O-N 2.96Å; I181-V186 HydrophobicContact CG2-CG1 4.23Å; I181-V186 HydrophobicContact CG2-CG2 4.35Å; I181-V186 VanDerWaalsContact O-CG2 3.22Å; I181-V186 WeakPolarHBondContact O-CG2 3.21Å
182G89.5Confident93.3Very high49 Ų4959.3 Ų59.351%0.50532%0.32SS..THydrogen-bonded Turntrans114.714.1-178.300000114.6P178 E179P178-G182 PolarHBondContact O-N 2.88Å; E179-G182 PolarHBondContact O-N 3.09Å
183G91.4Very high93.2Very high19 Ų1956.8 Ų56.820%0.19631%0.308CS..  trans82.4-173.7176.600000114.3P178 M185 V186P178-G183 VanDerWaalsContact O-CA 3.28Å; P178-G183 WeakPolarHBondContact O-CA 3.42Å; P178-G183 PolarHBondContact O-N 3.13Å; G183-M185 PolarHBondContact O-N 2.7Å; G183-M185 VanDerWaalsContact O-N 3.15Å; G183-V186 PolarHBondContact O-N 2.83Å
184N90Very high93Very high122 Ų12256 Ų5665%0.65230%0.304SS*.THydrogen-bonded Turntrans-66.1-16.9-172.7-61.877.1000114.8
185M89.8Confident92.9Very high163 Ų16351.5 Ų51.580%0.80328%0.283SS*.THydrogen-bonded Turntrans-114.920.9-175.1-65.2-63.5-64.400112.6G183 T187G183-M185 PolarHBondContact O-N 2.7Å; G183-M185 VanDerWaalsContact O-N 3.15Å; M185-T187 PolarHBondContact O-N 2.86Å
186V93.9Very high92.8Very high2 Ų252.4 Ų52.41%0.01229%0.29CS..  trans-51.4130.3179640000111.2L123 L126 I127 H130 I181 G183 E190L123-V186 HydrophobicContact CD1-CG1 3.99Å; L126-V186 HydrophobicContact CD2-CG1 4.26Å; I127-V186 HydrophobicContact CG1-CG1 4.29Å; H130-V186 PolarHBondContact NE2-O 2.88Å; I181-V186 HydrophobicContact CG2-CG1 4.23Å; I181-V186 HydrophobicContact CG2-CG2 4.35Å; I181-V186 VanDerWaalsContact O-CG2 3.22Å; I181-V186 WeakPolarHBondContact O-CG2 3.21Å; G183-V186 PolarHBondContact O-N 2.83Å; V186-E190 HydrophobicContact CG2-CB 4.27Å
187T93.8Very high92.6Very high61 Ų6157 Ų5737%0.37431%0.308SS..  trans-95.8155.5178.366.30000111.4M185 K189 E190 L191M185-T187 PolarHBondContact O-N 2.86Å; T187-K189 PolarHBondContact O-N 2.77Å; T187-K189 VanDerWaalsContact O-N 3.1Å; T187-E190 WeakPolarHBondContact CB-OE2 3.5Å; T187-E190 PolarHBondContact N-OE2 3.2Å; T187-E190 PolarHBondContact O-N 2.86Å; T187-E190 VanDerWaalsContact O-N 3.13Å; T187-E190 VanDerWaalsContact OG1-CG 3.25Å; T187-E190 WeakPolarHBondContact OG1-CG 3.28Å; T187-E190 PolarHBondContact OG1-N 2.83Å; T187-E190 PolarHBondContact OG1-OE2 2.89Å; T187-L191 PolarHBondContact O-N 3.33Å; T187-L191 VanDerWaalsContact O-N 3.09Å
188S93.2Very high92.4Very high25 Ų2559.8 Ų59.818%0.17532%0.321CS..Hα-helixtrans-56.1-29.3174-175.20000113H130 E192H130-S188 PolarHBondContact CE1-N 2.93Å; H130-S188 WeakPolarHBondContact ND1-CB 3.45Å; S188-E192 WeakPolarHBondContact O-CB 3.32Å; S188-E192 PolarHBondContact O-N 3.41Å
189K93Very high92.2Very high118 Ų11860.3 Ų60.351%0.51333%0.334SS..Hα-helixtrans-76.8-37.2179.6-68.5-178.2-178.3175.60112.2T187 E192 W193 L205 P209T187-K189 PolarHBondContact O-N 2.77Å; T187-K189 VanDerWaalsContact O-N 3.1Å; K189-E192 PolarHBondContact O-N 3.03Å; K189-W193 VanDerWaalsContact O-CB 3.31Å; K189-W193 WeakPolarHBondContact O-CB 3.44Å; K189-W193 PolarHBondContact O-N 2.8Å; K189-L205 HydrophobicContact CB-CD1 4.4Å; K189-P209 HydrophobicContact CB-CB 4.33Å; K189-P209 HydrophobicContact CB-CG 4.28Å
190E92.3Very high92.1Very high40 Ų4051.9 Ų51.919%0.18730%0.295CS..Hα-helixtrans-64.9-43.9174.1-73.6165.2146.300110.7V186 T187 W193 H194 P209 S210V186-E190 HydrophobicContact CG2-CB 4.27Å; T187-E190 WeakPolarHBondContact CB-OE2 3.5Å; T187-E190 PolarHBondContact N-OE2 3.2Å; T187-E190 PolarHBondContact O-N 2.86Å; T187-E190 VanDerWaalsContact O-N 3.13Å; T187-E190 VanDerWaalsContact OG1-CG 3.25Å; T187-E190 WeakPolarHBondContact OG1-CG 3.28Å; T187-E190 PolarHBondContact OG1-N 2.83Å; T187-E190 PolarHBondContact OG1-OE2 2.89Å; E190-W193 PolarHBondContact O-N 2.83Å; E190-H194 WeakPolarHBondContact O-CB 3.41Å; E190-H194 PolarHBondContact O-N 3.07Å; E190-P209 HydrophobicContact CB-CG 4.37Å; E190-P209 HydrophobicContact CG-CB 4.37Å; E190-P209 HydrophobicContact CG-CG 3.72Å; E190-S210 VanDerWaalsContact CD-OG 3.3Å; E190-S210 WeakPolarHBondContact CG-OG 3.44Å; E190-S210 WeakPolarHBondContact OE1-CB 3.49Å; E190-S210 PolarHBondContact OE1-OG 3.38Å
191L93.5Very high92Very high6 Ų650.2 Ų50.23%0.03128%0.279CS..Hα-helixtrans-63.9-42.8175.5-175.660.9000111.9H130 F131 L134 I163 T187 W193 H194 L195H130-L191 HydrophobicContact CB-CD2 4.02Å; F131-L191 HydrophobicContact CD2-CD2 3.82Å; F131-L191 HydrophobicContact CE2-CD2 3.72Å; L134-L191 HydrophobicContact CD1-CB 4.28Å; L134-L191 HydrophobicContact CD1-CD2 3.55Å; L134-L191 HydrophobicContact CD1-CG 3.72Å; I163-L191 HydrophobicContact CD1-CD1 3.53Å; T187-L191 PolarHBondContact O-N 3.33Å; T187-L191 VanDerWaalsContact O-N 3.09Å; L191-W193 VanDerWaalsContact C-N 3.35Å; L191-W193 PolarHBondContact O-N 2.8Å; L191-H194 PolarHBondContact O-N 2.65Å; L191-L195 HydrophobicContact CG-CD1 4.41Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 2.72Å
192E94.5Very high91.5Very high8 Ų858.4 Ų58.44%0.03732%0.317CS..Hα-helixtrans-57.2-47.8172.4-175.3178.4153.200111.8L134 K137 F138 S188 K189 H194 L195 A196 L201 S203 L205L134-E192 HydrophobicContact CD2-CB 3.79Å; L134-E192 HydrophobicContact CD2-CG 4.17Å; K137-E192 IonicContact NZ-OE1 3.57Å; K137-E192 PolarHBondContact NZ-OE1 3.5Å; K137-E192 IonicContact NZ-OE2 3.16Å; K137-E192 PolarHBondContact NZ-OE2 2.96Å; F138-E192 HydrophobicContact CE2-CG 3.78Å; F138-E192 HydrophobicContact CZ-CG 3.87Å; F138-E192 WeakPolarHBondContact CZ-OE1 3.37Å; S188-E192 WeakPolarHBondContact O-CB 3.32Å; S188-E192 PolarHBondContact O-N 3.41Å; K189-E192 PolarHBondContact O-N 3.03Å; E192-H194 PolarHBondContact O-N 2.81Å; E192-L195 PolarHBondContact O-N 3.01Å; E192-A196 WeakPolarHBondContact O-CB 3.12Å; E192-A196 PolarHBondContact O-N 3.04Å; E192-L201 HydrophobicContact CG-CD1 4.11Å; E192-S203 WeakPolarHBondContact OE1-CB 3.32Å; E192-S203 PolarHBondContact OE1-OG 3.03Å; E192-L205 HydrophobicContact CB-CD1 4.18Å; E192-L205 HydrophobicContact CG-CD1 4Å
193W92.1Very high91.1Very high54 Ų5457.5 Ų57.521%0.20530%0.303CS..Hα-helixtrans-64.5-40.4-179.3179.481.4000111.9K189 E190 L191 A196 K197 D208 P209K189-W193 VanDerWaalsContact O-CB 3.31Å; K189-W193 WeakPolarHBondContact O-CB 3.44Å; K189-W193 PolarHBondContact O-N 2.8Å; E190-W193 PolarHBondContact O-N 2.83Å; L191-W193 VanDerWaalsContact C-N 3.35Å; L191-W193 PolarHBondContact O-N 2.8Å; W193-A196 PolarHBondContact O-N 3.25Å; W193-K197 HydrophobicContact CH2-CD 3.91Å; W193-K197 HydrophobicContact CZ2-CD 4.22Å; W193-K197 HydrophobicContact CZ3-CD 4.3Å; W193-K197 WeakPolarHBondContact O-CB 3.39Å; W193-K197 PolarHBondContact O-N 3Å; W193-D208 HydrophobicContact CD2-CB 4.4Å; W193-D208 HydrophobicContact CH2-CB 4.06Å; W193-D208 HydrophobicContact CZ2-CB 3.69Å; W193-P209 HydrophobicContact CB-CG 4.12Å
194H91.9Very high90.5Very high63 Ų6366.5 Ų66.529%0.29234%0.337SS..Hα-helixtrans-61.4-47.7176.5-169.398.2000111.3E190 L191 E192 A196 K197 L198E190-H194 WeakPolarHBondContact O-CB 3.41Å; E190-H194 PolarHBondContact O-N 3.07Å; L191-H194 PolarHBondContact O-N 2.65Å; E192-H194 PolarHBondContact O-N 2.81Å; H194-A196 PolarHBondContact O-N 3.3Å; H194-K197 PolarHBondContact O-N 3.46Å; H194-L198 WeakPolarHBondContact O-CG 3.31Å; H194-L198 PolarHBondContact O-N 3.28Å
195L94.5Very high89.7Confident1 Ų163.4 Ų63.41%0.00532%0.32CS..Hα-helixtrans-65-38.3176.5-66.9174.4000112.1V113 L134 F143 I165 L191 E192 L198 G199 V200 L201V113-L195 HydrophobicContact CG1-CD2 4.11Å; V113-L195 HydrophobicContact CG2-CD2 4.23Å; L134-L195 HydrophobicContact CD1-CD1 4.17Å; F143-L195 HydrophobicContact CE1-CD1 3.95Å; F143-L195 HydrophobicContact CZ-CD1 4.24Å; I165-L195 HydrophobicContact CD1-CD2 3.59Å; I165-L195 HydrophobicContact CG1-CD2 4.34Å; L191-L195 HydrophobicContact CG-CD1 4.41Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 2.72Å; E192-L195 PolarHBondContact O-N 3.01Å; L195-L198 PolarHBondContact O-N 3.45Å; L195-G199 PolarHBondContact O-N 3.19Å; L195-V200 HydrophobicContact CB-CB 4.27Å; L195-V200 HydrophobicContact CD2-CB 4.48Å; L195-V200 HydrophobicContact CD2-CG1 4.36Å; L195-V200 HydrophobicContact CD2-CG2 4.47Å; L195-V200 WeakPolarHBondContact O-CB 3.47Å; L195-V200 PolarHBondContact O-N 3.22Å; L195-L201 HydrophobicContact CB-CD2 3.52Å; L195-L201 HydrophobicContact CB-CG 3.88Å; L195-L201 HydrophobicContact CD1-CD2 3.93Å; L195-L201 HydrophobicContact CG-CD2 4.39Å
196A93.3Very high88.6Confident24 Ų2462 Ų6220%0.19832%0.321CS..Hα-helixtrans-63.1-42.9175.800000112E192 W193 H194 L198 G199 L201E192-A196 WeakPolarHBondContact O-CB 3.12Å; E192-A196 PolarHBondContact O-N 3.04Å; W193-A196 PolarHBondContact O-N 3.25Å; H194-A196 PolarHBondContact O-N 3.3Å; A196-L198 PolarHBondContact O-N 3.47Å; A196-G199 PolarHBondContact O-N 3.21Å; A196-L201 HydrophobicContact CB-CD1 3.61Å; A196-L201 HydrophobicContact CB-CG 4.44Å
197K91.3Very high87.5Confident155 Ų15570.3 Ų70.367%0.67436%0.357SS*.Hα-helixtrans-61.1-34.6178.4-176.4-177176.3-170.30112.2W193 H194 G199W193-K197 HydrophobicContact CH2-CD 3.91Å; W193-K197 HydrophobicContact CZ2-CD 4.22Å; W193-K197 HydrophobicContact CZ3-CD 4.3Å; W193-K197 WeakPolarHBondContact O-CB 3.39Å; W193-K197 PolarHBondContact O-N 3Å; H194-K197 PolarHBondContact O-N 3.46Å; K197-G199 PolarHBondContact O-N 2.94Å
198L90.7Very high86.5Confident65 Ų6569.3 Ų69.334%0.3435%0.349SS..THydrogen-bonded Turntrans-78.1-2.9175.8-65.3172.3000113.2I165 E173 H194 L195 A196 V200I165-L198 HydrophobicContact CD1-CD1 3.51Å; E173-L198 HydrophobicContact CB-CD1 4.12Å; E173-L198 HydrophobicContact CG-CD1 3.73Å; E173-L198 HydrophobicContact CG-CD2 4.1Å; H194-L198 WeakPolarHBondContact O-CG 3.31Å; H194-L198 PolarHBondContact O-N 3.28Å; L195-L198 PolarHBondContact O-N 3.45Å; A196-L198 PolarHBondContact O-N 3.47Å; L198-V200 VanDerWaalsContact C-N 3.27Å; L198-V200 HydrophobicContact CB-CG2 3.88Å; L198-V200 PolarHBondContact O-N 3.03Å
199G90Very high85.4Confident49 Ų4969.2 Ų69.251%0.50535%0.348SS..THydrogen-bonded Turntrans7318-17700000113.8F111 L195 A196 K197F111-G199 VanDerWaalsContact CE2-O 3.31Å; F111-G199 WeakPolarHBondContact CE2-O 3.38Å; F111-G199 WeakPolarHBondContact CZ-O 3.47Å; L195-G199 PolarHBondContact O-N 3.19Å; A196-G199 PolarHBondContact O-N 3.21Å; K197-G199 PolarHBondContact O-N 2.94Å
200V91.3Very high84Confident6 Ų667 Ų674%0.03635%0.348CS..SBendtrans-75.3-34179.6177.90000111.2F111 V113 V141 I165 L195 L198F111-V200 HydrophobicContact CB-CG1 3.9Å; F111-V200 HydrophobicContact CD1-CB 4.38Å; F111-V200 HydrophobicContact CD1-CG1 4.21Å; F111-V200 HydrophobicContact CD1-CG2 4.11Å; F111-V200 HydrophobicContact CE1-CG2 4.2Å; F111-V200 HydrophobicContact CG-CB 4.48Å; F111-V200 HydrophobicContact CG-CG1 4.06Å; V113-V200 HydrophobicContact CG2-CG1 3.58Å; V141-V200 HydrophobicContact CG1-CG1 4.05Å; V141-V200 HydrophobicContact CG2-CG1 4.45Å; V141-V200 WeakPolarHBondContact CG2-O 3.21Å; I165-V200 HydrophobicContact CD1-CG2 4.24Å; I165-V200 HydrophobicContact CG2-CG2 3.63Å; L195-V200 HydrophobicContact CB-CB 4.27Å; L195-V200 HydrophobicContact CD2-CB 4.48Å; L195-V200 HydrophobicContact CD2-CG1 4.36Å; L195-V200 HydrophobicContact CD2-CG2 4.47Å; L195-V200 WeakPolarHBondContact O-CB 3.47Å; L195-V200 PolarHBondContact O-N 3.22Å; L198-V200 VanDerWaalsContact C-N 3.27Å; L198-V200 HydrophobicContact CB-CG2 3.88Å; L198-V200 PolarHBondContact O-N 3.03Å
201L90.2Very high82.3Confident10 Ų1073.2 Ų73.25%0.05237%0.374CS..SBendtrans-139.7154.9-178.961.281.5000111.5F138 V141 E192 L195 A196 S203F138-L201 HydrophobicContact CD1-CB 4.06Å; F138-L201 HydrophobicContact CD1-CD1 4.43Å; F138-L201 HydrophobicContact CD2-CD2 3.84Å; F138-L201 HydrophobicContact CE1-CB 4.37Å; F138-L201 HydrophobicContact CE1-CD1 3.91Å; F138-L201 HydrophobicContact CE2-CD1 4.18Å; F138-L201 HydrophobicContact CE2-CD2 3.91Å; F138-L201 HydrophobicContact CG-CB 4.23Å; F138-L201 HydrophobicContact CG-CD2 4.18Å; F138-L201 HydrophobicContact CZ-CD1 3.76Å; F138-L201 HydrophobicContact CZ-CD2 4.31Å; V141-L201 HydrophobicContact CG2-CB 4.21Å; E192-L201 HydrophobicContact CG-CD1 4.11Å; L195-L201 HydrophobicContact CB-CD2 3.52Å; L195-L201 HydrophobicContact CB-CG 3.88Å; L195-L201 HydrophobicContact CD1-CD2 3.93Å; L195-L201 HydrophobicContact CG-CD2 4.39Å; A196-L201 HydrophobicContact CB-CD1 3.61Å; A196-L201 HydrophobicContact CB-CG 4.44Å; L201-S203 PolarHBondContact O-N 3.17Å
202E82.2Confident80.1Confident186 Ų18682.4 Ų82.487%0.86941%0.408SS*.  trans-93.393.4175.5-67.2177.6-171.300109.6F138F138-E202 WeakPolarHBondContact CE1-O 3.41Å
203S80.9Confident77.6Confident30 Ų3089.8 Ų89.821%0.2145%0.445CS..  trans-96.3148177-178.50000112E192 L201 L205E192-S203 WeakPolarHBondContact OE1-CB 3.32Å; E192-S203 PolarHBondContact OE1-OG 3.03Å; L201-S203 PolarHBondContact O-N 3.17Å; S203-L205 PolarHBondContact O-N 3.24Å; S203-L205 VanDerWaalsContact OG-CB 3.31Å; S203-L205 WeakPolarHBondContact OG-CB 3.34Å; S203-L205 WeakPolarHBondContact OG-CG 3.39Å; S203-L205 PolarHBondContact OG-N 3.13Å
204K77.8Confident75.2Confident209 Ų20993.7 Ų93.791%0.90947%0.469SS*.SBendtrans-73.7-6.1166.6-57.9-176.7-177.9-176.60112.7T206K204-T206 PolarHBondContact O-N 3.23Å
205L74.1Confident73Confident56 Ų5698.7 Ų98.729%0.29350%0.497SS..  trans-8197.2-177.9-63.7176.1000111.3K189 E192 S203K189-L205 HydrophobicContact CB-CD1 4.4Å; E192-L205 HydrophobicContact CB-CD1 4.18Å; E192-L205 HydrophobicContact CG-CD1 4Å; S203-L205 PolarHBondContact O-N 3.24Å; S203-L205 VanDerWaalsContact OG-CB 3.31Å; S203-L205 WeakPolarHBondContact OG-CB 3.34Å; S203-L205 WeakPolarHBondContact OG-CG 3.39Å; S203-L205 PolarHBondContact OG-N 3.13Å
206T66.1Low70.6Confident133 Ų133108.4 Ų108.482%0.81654%0.539SS*.  trans-80-29.2175.2-520000113.5K204K204-T206 PolarHBondContact O-N 3.23Å
207K71.8Confident68.3Low178 Ų178115 Ų11577%0.77457%0.57SS**SBendtrans-107.9137.7-173.9-65.8-177.1-178.4179.10111.4P209K207-P209 WeakPolarHBondContact O-CD 3.31Å
208D72.3Confident66Low39 Ų39112 Ų11221%0.20957%0.574CS.*  trans-54.6114.5173-178.6-6.2000110.7W193 S210 K211W193-D208 HydrophobicContact CD2-CB 4.4Å; W193-D208 HydrophobicContact CH2-CB 4.06Å; W193-D208 HydrophobicContact CZ2-CB 3.69Å; D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 PolarHBondContact O-N 2.68Å; D208-S210 WeakPolarHBondContact OD1-CB 3.36Å; D208-S210 PolarHBondContact OD1-N 3.22Å; D208-K211 HydrophobicContact CB-CD 4.38Å; D208-K211 HydrophobicContact CB-CG 4.34Å; D208-K211 PolarHBondContact O-N 3.28Å; D208-K211 WeakPolarHBondContact OD2-CE 3.14Å
209P69.9Low63.8Low24 Ų24117.8 Ų117.816%0.15660%0.599CS.*G310 helixtrans-69.1-23.8-179.526.6-31.4000113.2K189 E190 W193 K207 K211 R212K189-P209 HydrophobicContact CB-CB 4.33Å; K189-P209 HydrophobicContact CB-CG 4.28Å; E190-P209 HydrophobicContact CB-CG 4.37Å; E190-P209 HydrophobicContact CG-CB 4.37Å; E190-P209 HydrophobicContact CG-CG 3.72Å; W193-P209 HydrophobicContact CB-CG 4.12Å; K207-P209 WeakPolarHBondContact O-CD 3.31Å; P209-K211 PolarHBondContact O-N 3.29Å; P209-R212 PolarHBondContact O-N 3.39Å
210S63Low61.8Low72 Ų72120 Ų12050%0.50361%0.606SS.*G310 helixtrans-66.9-16.9179.5-57.50000112.7E190 D208 R212E190-S210 VanDerWaalsContact CD-OG 3.3Å; E190-S210 WeakPolarHBondContact CG-OG 3.44Å; E190-S210 WeakPolarHBondContact OE1-CB 3.49Å; E190-S210 PolarHBondContact OE1-OG 3.38Å; D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 PolarHBondContact O-N 2.68Å; D208-S210 WeakPolarHBondContact OD1-CB 3.36Å; D208-S210 PolarHBondContact OD1-N 3.22Å; S210-R212 VanDerWaalsContact C-N 3.3Å; S210-R212 PolarHBondContact O-N 2.92Å
211K57.1Low59.5Low169 Ų169126.8 Ų126.874%0.73564%0.643SS**G310 helixtrans-84.34.8177.5-63.7-173.2-177.2-175.70114.4D208 P209 M213D208-K211 HydrophobicContact CB-CD 4.38Å; D208-K211 HydrophobicContact CB-CG 4.34Å; D208-K211 PolarHBondContact O-N 3.28Å; D208-K211 WeakPolarHBondContact OD2-CE 3.14Å; P209-K211 PolarHBondContact O-N 3.29Å; K211-M213 VanDerWaalsContact C-N 3.34Å; K211-M213 PolarHBondContact O-N 3.34Å
212R47Very low56.9Low199 Ų199137.8 Ų137.875%0.75168%0.684SS**  trans-87.362.9176.9-72.9-173.5178.7174-0112.7P209 S210P209-R212 PolarHBondContact O-N 3.39Å; S210-R212 VanDerWaalsContact C-N 3.3Å; S210-R212 PolarHBondContact O-N 2.92Å
213M43.1Very low54.7Low163 Ų163136.8 Ų136.880%0.80368%0.683SS**  trans-179.299160-105.9159.654.700107.1K211K211-M213 VanDerWaalsContact C-N 3.34Å; K211-M213 PolarHBondContact O-N 3.34Å
214N39.9Very low52.6Low136 Ų136144.6 Ų144.673%0.72771%0.713SS**  -167.39285.1-78.5-23000110.6
215I46.2Very low50.4Low168 Ų168143.3 Ų143.386%0.86271%0.71SS**SBendtrans-125.346.8156.9-49.9169000109
216K44Very low48.5Very low206 Ų206148 Ų14890%0.89673%0.733SS**SBendtrans-137.823.8167.4-72.7-161.6178.4-172.50113.8
217L46.4Very low47.2Very low161 Ų161148 Ų14884%0.84373%0.733SS**SBendtrans-12910.1168.9-151.165.8000114.9
218A42.1Very low45.4Very low93 Ų93144.8 Ų144.877%0.76973%0.733SS**SBendtrans-113.24.6176.700000114.4
219H44.5Very low43.5Very low187 Ų187146 Ų14687%0.86675%0.754SS**SBendtrans-101.25.4174.9-123113000114.5
220S47.9Very low41.9Very low94 Ų94150.8 Ų150.866%0.65779%0.788SS**SBendtrans-111.1122164.8-153.70000107.9
221N42.1Very low40.8Very low150 Ų150152.6 Ų152.680%0.80280%0.801SS**SBendtrans93.854.2177.1-52.49.6000117.1
222R37.4Very low39.8Very low241 Ų241151.8 Ų151.891%0.90981%0.805SS**SBendtrans-158.144.4145.4-143-177.4-92.8-161.6-5.4117.5
223I35.7Very low39.5Very low165 Ų165150 Ų15085%0.84681%0.81SS**  trans-144.777.1159.1-48.3175.6000110
224K35.5Very low39.1Very low193 Ų193149.8 Ų149.884%0.83981%0.812SS**  trans-142.4128.8150.4-69.1-168.9-179.6178.80106.5
225H31.5Very low39.2Very low183 Ų183152.1 Ų152.185%0.84782%0.819SS**SBendtrans96.4102.1-179-61-82.8000116.5
226I35.7Very low38.7Very low154 Ų154149.6 Ų149.679%0.7981%0.812SS**  123.770.7124-136.7163.7000116
227V38.2Very low38.8Very low132 Ų132147.2 Ų147.280%0.881%0.808SS**  trans-148.9104.8144.7174.10000103.9
228S33.4Very low38.5Very low111 Ų111146.3 Ų146.378%0.77680%0.804SS**  53.88457.580.70000113.3
229G33.5Very low38.7Very low64 Ų64149.1 Ų149.166%0.6681%0.806SS**  trans151.389.4171.200000109.1
230S35.4Very low38.8Very low125 Ų125147.2 Ų147.287%0.87480%0.803SS**  89.9133.588.7-83.70000112.5
231S40.2Very low38.4Very low110 Ų110150.2 Ų150.277%0.76981%0.812SS**  trans75.392.8171.9-800000117.6
232D35.4Very low38.8Very low152 Ų152150.7 Ų150.781%0.81381%0.814SS**  15.8107.7106.3-56.7-27.5000115.1
233N41.1Very low39.1Very low161 Ų161146 Ų14686%0.86181%0.807SS**  -157.8110.5129.1-103.1-1.4000108.2E235N233-E235 PolarHBondContact O-N 3.34Å
234D35.3Very low39.6Very low159 Ų159145.6 Ų145.685%0.8581%0.807SS**  trans-60.9117156.9-71.1-46.8000108.5
235E41.2Very low40Very low186 Ų186147.8 Ų147.887%0.86983%0.827SS**  trans-139.5109.8143.4-73.9-163.7159.400107.5N233N233-E235 PolarHBondContact O-N 3.34Å
236T37Very low40.5Very low115 Ų115146 Ų14671%0.70683%0.826SS**  trans-77.8126.7166.80.30000106.5
237D44.5Very low40.7Very low155 Ų155145.6 Ų145.683%0.82983%0.828SS**  trans-140.3105.2151.8-86.7-34.6000106.5
238D40.1Very low40.9Very low142 Ų142146.3 Ų146.376%0.75983%0.83SS**  trans-65.1127166.1-67.9-55.2000108.6
239D47.3Very low41.3Very low152 Ų152148.4 Ų148.481%0.81383%0.833SS**  trans-139.691.4160.5-87.4-35.5000108
240D46.3Very low41.8Very low147 Ų147153.7 Ų153.779%0.78684%0.844SS**  trans46.5102.4140.4-62.1-23.9000119.7
241D39.3Very low42.2Very low158 Ų158155.6 Ų155.685%0.84584%0.842SS**  trans-55128.6138.7-73.4-45.5000109.5
242D51Low42.4Very low159 Ų159158.9 Ų158.985%0.8585%0.847SS**  trans-156.7100.9143.8-94-28000109.1
243D43.4Very low42.9Very low144 Ų144159.4 Ų159.477%0.7785%0.85SS**  trans-54.6139.1148.7-74-52.1000109.5
244D45.6Very low43Very low156 Ų156159.3 Ų159.383%0.83485%0.849SS**  165.7138.2124.1-88.4-27.9000112.4
245D45.5Very low43.7Very low238 Ų238159.3 Ų159.3100%1.27385%0.849SS**  trans71.60165-67.4-28.1000121.3

Retrieved 245 of 245 residues in 45 ms (Link to these results)