A0A077Z7B7_TRITR Loading...

Pkinase Tyr domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7B7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 266 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low45.7Very low168 Ų168114.4 Ų114.483%0.82859%0.588SS**  0128.80-72.6-178.2-102.200107.2K8M1-K8 HydrophobicContact SD-CB 4.4Å; M1-K8 HydrophobicContact SD-CD 3.84Å; M1-K8 HydrophobicContact SD-CG 4.18Å
2T45.8Very low46.3Very low37 Ų37107.5 Ų107.523%0.22756%0.561CS.*EExtended strand (participates in β ladder)trans-106145.5171.5530000108.8V11 L55T2-V11 HydrophobicContact CG2-CG1 4.31Å; T2-L55 HydrophobicContact CG2-CD1 3.77Å; T2-L55 HydrophobicContact CG2-CD2 3.78Å; T2-L55 HydrophobicContact CG2-CG 4.23Å
3Q35.1Very low47.4Very low170 Ų170103.6 Ų103.679%0.79454%0.544SS*.EExtended strand (participates in β ladder)trans-91.3125.2169.8-63.8-171.716.500108.5
4D47.4Very low48.8Very low90 Ų90101.1 Ų101.148%0.48153%0.527SS..EExtended strand (participates in β ladder)trans-130.1116.6165.5-176.420.4000105.5G6 K7D4-G6 VanDerWaalsContact C-N 3.26Å; D4-G6 PolarHBondContact O-N 3.31Å; D4-K7 PolarHBondContact O-N 3.14Å
5N46.5Very low49.7Very low159 Ų15998.8 Ų98.885%0.8552%0.519SS*.THydrogen-bonded Turntrans49.539.5-171.1-66.7-15.2000114.8K7N5-K7 PolarHBondContact O-N 3.06Å; N5-K7 VanDerWaalsContact O-N 3.16Å
6G46.6Very low50.5Low61 Ų6193.8 Ų93.863%0.62949%0.493SS*.THydrogen-bonded Turntrans72.80.5177.200000116D4D4-G6 VanDerWaalsContact C-N 3.26Å; D4-G6 PolarHBondContact O-N 3.31Å
7K43.4Very low51Low157 Ų15798.3 Ų98.368%0.68351%0.507SS*.EExtended strand (participates in β ladder)trans-93.3128175.6-69.1-174.1179.5179.90111.2D4 N5 Q9D4-K7 PolarHBondContact O-N 3.14Å; N5-K7 PolarHBondContact O-N 3.06Å; N5-K7 VanDerWaalsContact O-N 3.16Å; K7-Q9 PolarHBondContact O-N 3.24Å
8K50.4Low51.3Low173 Ų17398.4 Ų98.475%0.75252%0.518SS*.EExtended strand (participates in β ladder)trans-65.5125.6170.2-71.1177.9177.6177.70109.2M1M1-K8 HydrophobicContact SD-CB 4.4Å; M1-K8 HydrophobicContact SD-CD 3.84Å; M1-K8 HydrophobicContact SD-CG 4.18Å
9Q48.2Very low51.8Low50 Ų50103.2 Ų103.223%0.23454%0.537CS..EExtended strand (participates in β ladder)trans-119.6140.3176.1-61.3-173.426.200111.2K7 I57K7-Q9 PolarHBondContact O-N 3.24Å; Q9-I57 HydrophobicContact CB-CG2 4.33Å; Q9-I57 VanDerWaalsContact OE1-CD1 3.29Å
10M48.9Very low52.7Low158 Ų158102.5 Ų102.578%0.77853%0.531SS*.  trans-66.1134.1171.4-71.2-164.9-56.700109.6I57M10-I57 WeakPolarHBondContact O-CG2 3.34Å
11V52.9Low53.7Low35 Ų35103 Ų10321%0.21253%0.531CS..  trans-123.8133.1177.9-71.20000109.8T2 V13 L56 I57T2-V11 HydrophobicContact CG2-CG1 4.31Å; V11-V13 HydrophobicContact CB-CG2 4.31Å; V11-V13 HydrophobicContact CG2-CG2 3.74Å; V11-L56 CarbonylContact C-O 3.58Å; V11-L56 WeakPolarHBondContact CA-O 3.34Å; V11-L56 WeakPolarHBondContact CB-O 3.42Å; V11-I57 HydrophobicContact CG1-CG1 3.91Å
12A53.6Low55.7Low32 Ų32102.8 Ų102.826%0.26453%0.526SS..EExtended strand (participates in β ladder)trans-74.113215600000108.6L56 L58A12-L56 HydrophobicContact CB-CB 4.19Å; A12-L56 PolarHBondContact N-O 3.41Å; A12-L56 PolarHBondContact O-N 2.96Å; A12-L58 WeakPolarHBondContact CB-O 3.39Å
13V60.1Low57.1Low57 Ų57104.6 Ų104.635%0.34553%0.531SS..EExtended strand (participates in β ladder)trans-124.8102.1-174.8178.10000108V11 T15 K53V11-V13 HydrophobicContact CB-CG2 4.31Å; V11-V13 HydrophobicContact CG2-CG2 3.74Å; V13-T15 PolarHBondContact O-N 3.14Å; V13-K53 HydrophobicContact CG1-CB 3.62Å; V13-K53 HydrophobicContact CG1-CD 3.42Å; V13-K53 VanDerWaalsContact CG1-CD 3.42Å; V13-K53 HydrophobicContact CG1-CG 3.33Å
14K66.3Low59.1Low69 Ų6996.6 Ų96.630%0.349%0.494SS..EExtended strand (participates in β ladder)trans-75.5111.2168.8-166.7177.8-172.1-176.60107.4E27 K53 I54 D117K14-E27 VanDerWaalsContact NZ-CD 3.33Å; K14-E27 IonicContact NZ-OE1 2.78Å; K14-E27 PolarHBondContact NZ-OE1 3.17Å; K14-E27 IonicContact NZ-OE2 3.16Å; K14-E27 PolarHBondContact NZ-OE2 2.91Å; K14-K53 WeakPolarHBondContact O-CA 3.41Å; K14-I54 PolarHBondContact O-N 3.29Å; K14-D117 IonicContact NZ-OD1 2.7Å; K14-D117 PolarHBondContact NZ-OD1 3.34Å; K14-D117 IonicContact NZ-OD2 3.32Å; K14-D117 PolarHBondContact NZ-OD2 2.88Å
15T62.6Low60.7Low66 Ų6696.6 Ų96.641%0.40549%0.49SS..EExtended strand (participates in β ladder)trans-102.1129.4-177.9-54.50000109.2V13 R51 K53V13-T15 PolarHBondContact O-N 3.14Å; T15-R51 HydrophobicContact CG2-CB 3.77Å; T15-R51 HydrophobicContact CG2-CG 4.19Å; T15-K53 HydrophobicContact CG2-CG 4.43Å
16L63.5Low62.3Low19 Ų1991.7 Ų91.710%0.09946%0.464CS..PPolyproline II helixtrans-79.5148.5177.1-72.9175.7000114.1E20 F24 L52L16-E20 HydrophobicContact CD2-CB 4.14Å; L16-F24 HydrophobicContact CD1-CB 3.28Å; L16-F24 HydrophobicContact CD1-CD1 3.58Å; L16-F24 HydrophobicContact CD1-CD2 3.38Å; L16-F24 HydrophobicContact CD1-CE1 4.16Å; L16-F24 HydrophobicContact CD1-CE2 3.94Å; L16-F24 HydrophobicContact CD1-CG 3.13Å; L16-F24 HydrophobicContact CD1-CZ 4.31Å; L16-F24 HydrophobicContact CD2-CB 3.7Å; L16-F24 HydrophobicContact CD2-CD2 3.55Å; L16-F24 HydrophobicContact CD2-CE2 4.39Å; L16-F24 HydrophobicContact CD2-CG 3.92Å; L16-F24 HydrophobicContact CG-CB 3.95Å; L16-F24 HydrophobicContact CG-CD2 3.42Å; L16-F24 VanDerWaalsContact CG-CD2 3.42Å; L16-F24 HydrophobicContact CG-CE2 3.89Å; L16-F24 HydrophobicContact CG-CG 3.74Å; L16-L52 HydrophobicContact CD1-CB 3.76Å; L16-L52 HydrophobicContact CD1-CD1 3.89Å; L16-L52 HydrophobicContact CD1-CG 4.37Å; L16-L52 HydrophobicContact CG-CB 4.46Å; L16-L52 PolarHBondContact N-O 3.22Å
17K58.2Low63.9Low170 Ų17089.2 Ų89.274%0.73944%0.436SS*.PPolyproline II helixtrans-89.2148.7156.4-62.8-177.2-178.4-179.80109Q19 E20K17-Q19 PolarHBondContact O-N 2.83Å; K17-E20 PolarHBondContact O-N 2.98Å
18S55.9Low65.8Low101 Ų10182.1 Ų82.171%0.70641%0.406SS*.G310 helixtrans-55.9-23.2-163.851.90000116.8
19Q61.8Low67.4Low189 Ų18981.5 Ų81.588%0.88340%0.399SS*.G310 helixtrans-88.1-2.9-173.9-67.2-179.6-11.100114.8K17K17-Q19 PolarHBondContact O-N 2.83Å
20E69.4Low69Low89 Ų8980.5 Ų80.542%0.41639%0.393SS..G310 helixtrans-110.515.8-170.2-64.5179161.400114.1L16 K17 K22 E23 F24L16-E20 HydrophobicContact CD2-CB 4.14Å; K17-E20 PolarHBondContact O-N 2.98Å; E20-K22 PolarHBondContact O-N 2.96Å; E20-E23 PolarHBondContact O-N 2.74Å; E20-F24 PolarHBondContact O-N 3.24Å
21Q73.9Confident70.6Confident112 Ų11273.2 Ų73.252%0.52336%0.357SS..Hα-helixtrans-56.7-42.9-172.6-67.1-174.75.600113.7F24 F25Q21-F24 WeakPolarHBondContact O-CB 3.28Å; Q21-F24 PolarHBondContact O-N 2.72Å; Q21-F25 WeakPolarHBondContact O-CD2 3.29Å; Q21-F25 PolarHBondContact O-N 2.98Å
22K78.5Confident72.2Confident164 Ų16480.6 Ų80.671%0.71338%0.381SS*.Hα-helixtrans-61.3-50.2179.3-178-179.2177.1-178.70111.5E20 F24 F25 D26E20-K22 PolarHBondContact O-N 2.96Å; K22-F24 PolarHBondContact O-N 3.49Å; K22-F25 PolarHBondContact O-N 3.38Å; K22-D26 PolarHBondContact O-N 2.83Å
23E75.1Confident73.8Confident75 Ų7585.6 Ų85.635%0.3540%0.399SS..Hα-helixtrans-61.9-36.6-179.4-60.5-164.8169.400111.9E20 D26 E27 R135E20-E23 PolarHBondContact O-N 2.74Å; E23-D26 PolarHBondContact O-N 3.38Å; E23-E27 WeakPolarHBondContact O-CB 3.42Å; E23-E27 PolarHBondContact O-N 2.8Å; E23-R135 IonicContact OE1-NH1 3.36Å; E23-R135 PolarHBondContact OE1-NH1 2.97Å; E23-R135 IonicContact OE2-CZ 2.67Å; E23-R135 IonicContact OE2-NH1 3.04Å; E23-R135 PolarHBondContact OE2-NH1 3.4Å; E23-R135 IonicContact OE2-NH2 2.79Å; E23-R135 PolarHBondContact OE2-NH2 3.37Å
24F77.6Confident75.3Confident2 Ų283.5 Ų83.51%0.00939%0.386CS..Hα-helixtrans-63.6-46.8175178.7-99.8000113.2L16 E20 Q21 K22 D26 E27 C28 V45 L52 I54L16-F24 HydrophobicContact CD1-CB 3.28Å; L16-F24 HydrophobicContact CD1-CD1 3.58Å; L16-F24 HydrophobicContact CD1-CD2 3.38Å; L16-F24 HydrophobicContact CD1-CE1 4.16Å; L16-F24 HydrophobicContact CD1-CE2 3.94Å; L16-F24 HydrophobicContact CD1-CG 3.13Å; L16-F24 HydrophobicContact CD1-CZ 4.31Å; L16-F24 HydrophobicContact CD2-CB 3.7Å; L16-F24 HydrophobicContact CD2-CD2 3.55Å; L16-F24 HydrophobicContact CD2-CE2 4.39Å; L16-F24 HydrophobicContact CD2-CG 3.92Å; L16-F24 HydrophobicContact CG-CB 3.95Å; L16-F24 HydrophobicContact CG-CD2 3.42Å; L16-F24 VanDerWaalsContact CG-CD2 3.42Å; L16-F24 HydrophobicContact CG-CE2 3.89Å; L16-F24 HydrophobicContact CG-CG 3.74Å; E20-F24 PolarHBondContact O-N 3.24Å; Q21-F24 WeakPolarHBondContact O-CB 3.28Å; Q21-F24 PolarHBondContact O-N 2.72Å; K22-F24 PolarHBondContact O-N 3.49Å; F24-D26 VanDerWaalsContact C-N 3.28Å; F24-D26 PolarHBondContact O-N 2.9Å; F24-E27 WeakPolarHBondContact O-CB 3.38Å; F24-E27 PolarHBondContact O-N 3.49Å; F24-C28 VanDerWaalsContact CE1-SG 3.56Å; F24-C28 WeakPolarHBondContact O-CB 3.3Å; F24-C28 PolarHBondContact O-N 3.41Å; F24-C28 PolarHBondContact O-SG 2.93Å; F24-V45 HydrophobicContact CE1-CB 4.48Å; F24-V45 HydrophobicContact CE1-CG1 3.78Å; F24-V45 HydrophobicContact CE1-CG2 3.78Å; F24-V45 HydrophobicContact CZ-CG1 3.87Å; F24-V45 HydrophobicContact CZ-CG2 3.85Å; F24-L52 HydrophobicContact CD1-CB 4.25Å; F24-L52 HydrophobicContact CD1-CD1 3.83Å; F24-L52 HydrophobicContact CE1-CB 3.63Å; F24-L52 HydrophobicContact CE1-CD1 3.82Å; F24-L52 HydrophobicContact CE1-CG 4.24Å; F24-L52 HydrophobicContact CE2-CB 4.43Å; F24-L52 HydrophobicContact CZ-CB 3.72Å; F24-I54 HydrophobicContact CD2-CD1 4.28Å; F24-I54 HydrophobicContact CE2-CD1 3.67Å; F24-I54 HydrophobicContact CE2-CG1 3.55Å; F24-I54 HydrophobicContact CZ-CD1 4.24Å; F24-I54 HydrophobicContact CZ-CG1 3.7Å
25F80.8Confident76.5Confident90 Ų9089.8 Ų89.840%0.39541%0.408SS..Hα-helixtrans-66-34.8177.5-76.1-64.2000111.4Q21 K22 C28 R29 L52Q21-F25 WeakPolarHBondContact O-CD2 3.29Å; Q21-F25 PolarHBondContact O-N 2.98Å; K22-F25 PolarHBondContact O-N 3.38Å; F25-C28 PolarHBondContact O-N 3.44Å; F25-R29 WeakPolarHBondContact O-CB 3.37Å; F25-R29 VanDerWaalsContact O-CG 3.26Å; F25-R29 WeakPolarHBondContact O-CG 3.5Å; F25-R29 PolarHBondContact O-N 2.94Å; F25-L52 HydrophobicContact CE1-CD1 4.46Å; F25-L52 HydrophobicContact CE2-CD1 3.91Å; F25-L52 HydrophobicContact CZ-CD1 3.69Å
26D80.4Confident78Confident56 Ų5688.7 Ų88.730%0.29940%0.398SS..Hα-helixtrans-67.8-37.1173-69.4-20.9000112.2K22 E23 F24 R29 R30K22-D26 PolarHBondContact O-N 2.83Å; E23-D26 PolarHBondContact O-N 3.38Å; F24-D26 VanDerWaalsContact C-N 3.28Å; F24-D26 PolarHBondContact O-N 2.9Å; D26-R29 IonicContact OD1-NH1 3.03Å; D26-R29 PolarHBondContact OD1-NH1 3.08Å; D26-R29 VanDerWaalsContact OD1-NH1 3.17Å; D26-R30 WeakPolarHBondContact O-CG 3.49Å; D26-R30 PolarHBondContact O-N 2.89Å; D26-R30 PolarHBondContact O-NE 3.37Å
27E81.2Confident79.5Confident9 Ų991.8 Ų91.84%0.04242%0.419CS..Hα-helixtrans-61.9-48.1169.7-176.1177.3-174.500111.2K14 E23 F24 R29 R30 L31 F118K14-E27 VanDerWaalsContact NZ-CD 3.33Å; K14-E27 IonicContact NZ-OE1 2.78Å; K14-E27 PolarHBondContact NZ-OE1 3.17Å; K14-E27 IonicContact NZ-OE2 3.16Å; K14-E27 PolarHBondContact NZ-OE2 2.91Å; E23-E27 WeakPolarHBondContact O-CB 3.42Å; E23-E27 PolarHBondContact O-N 2.8Å; F24-E27 WeakPolarHBondContact O-CB 3.38Å; F24-E27 PolarHBondContact O-N 3.49Å; E27-R29 PolarHBondContact O-N 2.77Å; E27-R30 PolarHBondContact O-N 2.98Å; E27-L31 HydrophobicContact CG-CD1 3.99Å; E27-L31 HydrophobicContact CG-CG 4.45Å; E27-L31 WeakPolarHBondContact O-CB 3.46Å; E27-L31 WeakPolarHBondContact O-CG 3.35Å; E27-L31 PolarHBondContact O-N 3.23Å; E27-F118 HydrophobicContact CG-CB 4.18Å; E27-F118 PolarHBondContact OE1-N 3.15Å
28C81.8Confident81.4Confident8 Ų884 Ų845%0.05439%0.386CS..Hα-helixtrans-61-44.2178.3-67.70000112.2F24 F25 R30 L31 R32 F42F24-C28 VanDerWaalsContact CE1-SG 3.56Å; F24-C28 WeakPolarHBondContact O-CB 3.3Å; F24-C28 PolarHBondContact O-N 3.41Å; F24-C28 PolarHBondContact O-SG 2.93Å; F25-C28 PolarHBondContact O-N 3.44Å; C28-R30 VanDerWaalsContact C-N 3.32Å; C28-R30 PolarHBondContact O-N 3.47Å; C28-L31 PolarHBondContact O-N 2.95Å; C28-R32 WeakPolarHBondContact O-CB 3.41Å; C28-R32 PolarHBondContact O-N 2.99Å; C28-F42 HydrophobicContact CB-CE2 3.7Å; C28-F42 HydrophobicContact CB-CZ 4.05Å
29R84.6Confident83.2Confident160 Ų16079.2 Ų79.260%0.60435%0.352SS*.Hα-helixtrans-58.8-43.4176.7-78.1170.7-178.8160.3-4.6111.6F25 D26 E27 R32 Q33F25-R29 WeakPolarHBondContact O-CB 3.37Å; F25-R29 VanDerWaalsContact O-CG 3.26Å; F25-R29 WeakPolarHBondContact O-CG 3.5Å; F25-R29 PolarHBondContact O-N 2.94Å; D26-R29 IonicContact OD1-NH1 3.03Å; D26-R29 PolarHBondContact OD1-NH1 3.08Å; D26-R29 VanDerWaalsContact OD1-NH1 3.17Å; E27-R29 PolarHBondContact O-N 2.77Å; R29-R32 PolarHBondContact O-N 3.31Å; R29-Q33 WeakPolarHBondContact O-CG 3.43Å; R29-Q33 PolarHBondContact O-N 3.43Å
30R82.8Confident84.6Confident29 Ų2970.3 Ų70.311%0.10931%0.311CS..Hα-helixtrans-68.5-49.5177.5-74.3176.5-69.3148.4-0.6111.8D26 E27 C28 R32 Q33 L34 F118 G119 A121D26-R30 WeakPolarHBondContact O-CG 3.49Å; D26-R30 PolarHBondContact O-N 2.89Å; D26-R30 PolarHBondContact O-NE 3.37Å; E27-R30 PolarHBondContact O-N 2.98Å; C28-R30 VanDerWaalsContact C-N 3.32Å; C28-R30 PolarHBondContact O-N 3.47Å; R30-R32 PolarHBondContact O-N 3.33Å; R30-R32 VanDerWaalsContact O-N 3.17Å; R30-Q33 WeakPolarHBondContact O-CB 3.35Å; R30-Q33 PolarHBondContact O-N 2.91Å; R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 3.49Å; R30-F118 PolarHBondContact NH1-O 3.5Å; R30-F118 PolarHBondContact NH2-O 3.43Å; R30-G119 PolarHBondContact NH2-O 3.02Å; R30-A121 VanDerWaalsContact NH1-N 3.15Å; R30-A121 PolarHBondContact NH1-O 2.91Å
31L82.4Confident85.1Confident5 Ų569.4 Ų69.43%0.02631%0.309CS..Hα-helixtrans-55.8-34.1176.1-82.1174.7000112.6E27 C28 Q33 L34 V40 F42 I54 F118E27-L31 HydrophobicContact CG-CD1 3.99Å; E27-L31 HydrophobicContact CG-CG 4.45Å; E27-L31 WeakPolarHBondContact O-CB 3.46Å; E27-L31 WeakPolarHBondContact O-CG 3.35Å; E27-L31 PolarHBondContact O-N 3.23Å; C28-L31 PolarHBondContact O-N 2.95Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.45Å; L31-L34 PolarHBondContact O-N 3.03Å; L31-V40 WeakPolarHBondContact CD2-O 3.35Å; L31-F42 HydrophobicContact CB-CB 3.96Å; L31-F42 HydrophobicContact CB-CD2 4.03Å; L31-F42 HydrophobicContact CB-CG 4.32Å; L31-F42 HydrophobicContact CD1-CD2 4.5Å; L31-I54 HydrophobicContact CD1-CD1 4.3Å; L31-F118 HydrophobicContact CD2-CD2 3.26Å; L31-F118 HydrophobicContact CD2-CE2 3.51Å; L31-F118 HydrophobicContact CD2-CG 4.26Å; L31-F118 HydrophobicContact CG-CD2 3.89Å
32R85.7Confident85.3Confident191 Ų19166.8 Ų66.872%0.72130%0.296SS*.Hα-helixtrans-67.2-28.3175.6180176.6164.4-179.9-4.1113.4C28 R29 R30 F42C28-R32 WeakPolarHBondContact O-CB 3.41Å; C28-R32 PolarHBondContact O-N 2.99Å; R29-R32 PolarHBondContact O-N 3.31Å; R30-R32 PolarHBondContact O-N 3.33Å; R30-R32 VanDerWaalsContact O-N 3.17Å; R32-F42 HydrophobicContact CB-CD1 4.11Å; R32-F42 HydrophobicContact CB-CG 4.46Å
33Q87.4Confident85.1Confident137 Ų13766.2 Ų66.264%0.6429%0.293SS*.Hα-helixtrans-85.7-23.7179.6-67.5170.5-3.200112.6R29 R30 L31R29-Q33 WeakPolarHBondContact O-CG 3.43Å; R29-Q33 PolarHBondContact O-N 3.43Å; R30-Q33 WeakPolarHBondContact O-CB 3.35Å; R30-Q33 PolarHBondContact O-N 2.91Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.45Å
34L90.5Very high84.9Confident13 Ų1363.5 Ų63.57%0.06829%0.285CS..  trans-87.2125.9-177.8-60.2173.6000111.1R30 L31 I39 Y90 L91 Q94 F118R30-L34 WeakPolarHBondContact O-CG 3.21Å; R30-L34 PolarHBondContact O-N 3.49Å; L31-L34 PolarHBondContact O-N 3.03Å; L34-I39 HydrophobicContact CB-CG2 4.06Å; L34-I39 HydrophobicContact CD1-CG2 4.4Å; L34-Y90 HydrophobicContact CB-CE1 4.13Å; L34-Y90 HydrophobicContact CD2-CE1 3.83Å; L34-L91 HydrophobicContact CD1-CD2 3.76Å; L34-L91 HydrophobicContact CD2-CD2 3.89Å; L34-L91 HydrophobicContact CG-CD2 4.42Å; L34-Q94 HydrophobicContact CD2-CB 4.39Å; L34-Q94 HydrophobicContact CD2-CG 4.16Å; L34-F118 HydrophobicContact CD1-CD1 3.88Å; L34-F118 HydrophobicContact CD1-CE1 3.62Å; L34-F118 HydrophobicContact CD1-CE2 4.36Å; L34-F118 HydrophobicContact CD1-CG 4.37Å; L34-F118 HydrophobicContact CD1-CZ 3.89Å
35R92.1Very high84.8Confident201 Ų20166.1 Ų66.176%0.75830%0.301SS*.  trans-135.9101.6-179.7-65.4-174.1-179.7-165.70.7110.4Y90R35-Y90 PolarHBondContact N-OH 3.45Å
36H95.1Very high84.3Confident42 Ų4263.5 Ų63.519%0.19429%0.294CS..  trans-159.3144.4178.3-176.7-96.9000111.2N38 I39 R86 Y90H36-N38 PolarHBondContact CE1-OD1 3.16Å; H36-N38 PolarHBondContact ND1-N 3.47Å; H36-N38 PolarHBondContact O-N 3.01Å; H36-N38 VanDerWaalsContact O-N 3.11Å; H36-I39 HydrophobicContact CB-CB 4.14Å; H36-I39 HydrophobicContact CB-CG1 3.74Å; H36-I39 PolarHBondContact O-N 2.94Å; H36-R86 PolarHBondContact CE1-O 2.87Å; H36-Y90 HydrophobicContact CB-CD1 3.6Å; H36-Y90 HydrophobicContact CB-CD2 4.06Å; H36-Y90 HydrophobicContact CB-CE1 3.89Å; H36-Y90 HydrophobicContact CB-CE2 4.35Å; H36-Y90 HydrophobicContact CB-CG 3.69Å; H36-Y90 AromaticContact CD2-CG 3.92Å; H36-Y90 AromaticContact CG-CG 3.8Å
37P94.7Very high83.8Confident84 Ų8466.7 Ų66.755%0.54531%0.311SS..THydrogen-bonded Turntrans-56.5-28.8-178.9-28.336.6000114.9K114P37-K114 PolarHBondContact O-NZ 3Å
38N97Very high83Confident8 Ų869.8 Ų69.84%0.04333%0.327CS..THydrogen-bonded Turntrans-103.418.1178.2-55.1107.5000114H36 H83 L113 K114 I115H36-N38 PolarHBondContact CE1-OD1 3.16Å; H36-N38 PolarHBondContact ND1-N 3.47Å; H36-N38 PolarHBondContact O-N 3.01Å; H36-N38 VanDerWaalsContact O-N 3.11Å; N38-H83 WeakPolarHBondContact CB-O 3.34Å; N38-H83 VanDerWaalsContact ND2-CB 3.26Å; N38-H83 WeakPolarHBondContact ND2-CB 3.45Å; N38-L113 WeakPolarHBondContact CA-O 3.34Å; N38-L113 PolarHBondContact ND2-O 3.34Å; N38-K114 CarbonylContact O-C 3.54Å; N38-K114 WeakPolarHBondContact O-CA 3.37Å; N38-I115 PolarHBondContact O-N 3.35Å
39I94.6Very high82.1Confident0 Ų073.4 Ų73.40%035%0.353CS..BIsolated β-bridgetrans-114.5145.7167.9-57.7-60.9000108.3L34 H36 N41 Y90 L91 I115 F118L34-I39 HydrophobicContact CB-CG2 4.06Å; L34-I39 HydrophobicContact CD1-CG2 4.4Å; H36-I39 HydrophobicContact CB-CB 4.14Å; H36-I39 HydrophobicContact CB-CG1 3.74Å; H36-I39 PolarHBondContact O-N 2.94Å; I39-N41 PolarHBondContact O-N 2.93Å; I39-Y90 HydrophobicContact CG1-CD1 3.85Å; I39-Y90 HydrophobicContact CG1-CE1 4.32Å; I39-L91 HydrophobicContact CD1-CD1 3.86Å; I39-L91 HydrophobicContact CD1-CD2 4.06Å; I39-L91 HydrophobicContact CD1-CG 3.8Å; I39-I115 HydrophobicContact CD1-CB 3.94Å; I39-I115 HydrophobicContact CD1-CD1 4.4Å; I39-I115 HydrophobicContact CD1-CG1 4.49Å; I39-F118 HydrophobicContact CD1-CZ 4.25Å; I39-F118 HydrophobicContact CG2-CE2 3.95Å; I39-F118 HydrophobicContact CG2-CZ 3.74Å
40V90.1Very high81.2Confident2 Ų274.5 Ų74.51%0.01236%0.364CS..PPolyproline II helixtrans-65.2118.21761720000109.2L31 F42 L56 L58 L107 K114 I115L31-V40 WeakPolarHBondContact CD2-O 3.35Å; V40-F42 PolarHBondContact O-N 3.07Å; V40-L56 HydrophobicContact CG1-CD1 3.79Å; V40-L56 HydrophobicContact CG1-CD2 3.27Å; V40-L56 HydrophobicContact CG1-CG 4.12Å; V40-L58 HydrophobicContact CB-CD1 4.42Å; V40-L58 HydrophobicContact CG1-CD1 4.04Å; V40-L58 HydrophobicContact CG2-CD1 3.8Å; V40-L107 HydrophobicContact CG1-CD1 4.42Å; V40-L107 HydrophobicContact CG2-CB 4.26Å; V40-L107 HydrophobicContact CG2-CD1 3.74Å; V40-L107 HydrophobicContact CG2-CG 4.21Å; V40-K114 HydrophobicContact CG2-CB 3.81Å; V40-I115 VanDerWaalsContact CG2-O 3.31Å; V40-I115 WeakPolarHBondContact CG2-O 3.49Å; V40-I115 PolarHBondContact N-O 3.4Å
41N81.7Confident80Confident70 Ų7079.2 Ų79.237%0.37438%0.382SS..PPolyproline II helixtrans-74.6126.7179-70.3-18.4000110.4I39 K43I39-N41 PolarHBondContact O-N 2.93Å; N41-K43 PolarHBondContact O-N 3.32Å
42F77.8Confident78.9Confident57 Ų5780.1 Ų80.125%0.2539%0.387CS..PPolyproline II helixtrans-64121.7168.9-171.7-107.9000110.5C28 L31 R32 V40 V45C28-F42 HydrophobicContact CB-CE2 3.7Å; C28-F42 HydrophobicContact CB-CZ 4.05Å; L31-F42 HydrophobicContact CB-CB 3.96Å; L31-F42 HydrophobicContact CB-CD2 4.03Å; L31-F42 HydrophobicContact CB-CG 4.32Å; L31-F42 HydrophobicContact CD1-CD2 4.5Å; R32-F42 HydrophobicContact CB-CD1 4.11Å; R32-F42 HydrophobicContact CB-CG 4.46Å; V40-F42 PolarHBondContact O-N 3.07Å; F42-V45 HydrophobicContact CE2-CG2 4.04Å; F42-V45 HydrophobicContact CZ-CG2 3.9Å
43K74.6Confident77.9Confident151 Ų15172.9 Ų72.966%0.65736%0.361SS*.  trans-102-31.5174.6-68-65-170.3172.30113.3N41 L55N41-K43 PolarHBondContact O-N 3.32Å; K43-L55 WeakPolarHBondContact CB-O 3.43Å
44G69.9Low76.8Confident18 Ų1866.4 Ų66.419%0.18633%0.33CS..  trans153.5177.5-178.500000111.5L55G44-L55 PolarHBondContact O-N 3.16Å
45V74.9Confident75.4Confident57 Ų5767.8 Ų67.835%0.34534%0.338SS..EExtended strand (participates in β ladder)trans-117.4133.6173.7176.10000107.7F24 F42 L52 K53F24-V45 HydrophobicContact CE1-CB 4.48Å; F24-V45 HydrophobicContact CE1-CG1 3.78Å; F24-V45 HydrophobicContact CE1-CG2 3.78Å; F24-V45 HydrophobicContact CZ-CG1 3.87Å; F24-V45 HydrophobicContact CZ-CG2 3.85Å; F42-V45 HydrophobicContact CE2-CG2 4.04Å; F42-V45 HydrophobicContact CZ-CG2 3.9Å; V45-L52 HydrophobicContact CG1-CB 4.12Å; V45-L52 HydrophobicContact CG1-CD2 3.68Å; V45-L52 HydrophobicContact CG1-CG 4.45Å; V45-K53 CarbonylContact C-O 3.49Å; V45-K53 VanDerWaalsContact CA-O 3.3Å; V45-K53 WeakPolarHBondContact CA-O 3.05Å
46S72.1Confident74.2Confident35 Ų3559.1 Ų59.125%0.24531%0.306CS..EExtended strand (participates in β ladder)trans-109.4142.4167.361.20000109.9K53S46-K53 PolarHBondContact N-O 3.03Å; S46-K53 PolarHBondContact O-N 3.3Å; S46-K53 WeakPolarHBondContact OG-CB 3.4Å
47L68.3Low72.8Confident124 Ų12459.1 Ų59.165%0.64931%0.307SS*.EExtended strand (participates in β ladder)trans-99.8121.5168.5-174.370.8000108.1L52L47-L52 HydrophobicContact CB-CD2 4.42Å; L47-L52 HydrophobicContact CD1-CD2 3.72Å; L47-L52 HydrophobicContact CD1-CG 4.2Å
48D65.4Low71.9Confident73 Ų7356.1 Ų56.139%0.3929%0.287SS..EExtended strand (participates in β ladder)trans-135.8121.8176.4175.631.4000109.1H50 R51 K53D48-H50 VanDerWaalsContact C-N 3.32Å; D48-H50 PolarHBondContact O-N 3.39Å; D48-R51 PolarHBondContact N-O 3.36Å; D48-R51 WeakPolarHBondContact O-CB 3.43Å; D48-R51 PolarHBondContact O-N 3.03Å; D48-K53 HydrophobicContact CB-CD 4.15Å; D48-K53 IonicContact OD2-NZ 3.27Å; D48-K53 PolarHBondContact OD2-NZ 2.88Å
49S63.1Low71Confident84 Ų8458.5 Ų58.559%0.58730%0.301SS*.THydrogen-bonded Turntrans42.753.8-176-55.90000113.4R51S49-R51 PolarHBondContact O-N 3.4Å
50H64.4Low70.7Confident184 Ų18459.9 Ų59.985%0.85231%0.313SS*.THydrogen-bonded Turntrans64.611.3-177.6-53.2-78.1000116.6D48D48-H50 VanDerWaalsContact C-N 3.32Å; D48-H50 PolarHBondContact O-N 3.39Å
51R57.4Low70.7Confident127 Ų12759.8 Ų59.848%0.47931%0.312SS..EExtended strand (participates in β ladder)trans-111.3125.6176.8-64.7179.8-68.8-124.7-1.4111T15 D48 S49T15-R51 HydrophobicContact CG2-CB 3.77Å; T15-R51 HydrophobicContact CG2-CG 4.19Å; D48-R51 PolarHBondContact N-O 3.36Å; D48-R51 WeakPolarHBondContact O-CB 3.43Å; D48-R51 PolarHBondContact O-N 3.03Å; S49-R51 PolarHBondContact O-N 3.4Å
52L60.9Low71.1Confident25 Ų2558.8 Ų58.813%0.13131%0.306CS..EExtended strand (participates in β ladder)trans-76.7136.5172.2-63.5169.5000109.6L16 F24 F25 V45 L47L16-L52 HydrophobicContact CD1-CB 3.76Å; L16-L52 HydrophobicContact CD1-CD1 3.89Å; L16-L52 HydrophobicContact CD1-CG 4.37Å; L16-L52 HydrophobicContact CG-CB 4.46Å; L16-L52 PolarHBondContact N-O 3.22Å; F24-L52 HydrophobicContact CD1-CB 4.25Å; F24-L52 HydrophobicContact CD1-CD1 3.83Å; F24-L52 HydrophobicContact CE1-CB 3.63Å; F24-L52 HydrophobicContact CE1-CD1 3.82Å; F24-L52 HydrophobicContact CE1-CG 4.24Å; F24-L52 HydrophobicContact CE2-CB 4.43Å; F24-L52 HydrophobicContact CZ-CB 3.72Å; F25-L52 HydrophobicContact CE1-CD1 4.46Å; F25-L52 HydrophobicContact CE2-CD1 3.91Å; F25-L52 HydrophobicContact CZ-CD1 3.69Å; V45-L52 HydrophobicContact CG1-CB 4.12Å; V45-L52 HydrophobicContact CG1-CD2 3.68Å; V45-L52 HydrophobicContact CG1-CG 4.45Å; L47-L52 HydrophobicContact CB-CD2 4.42Å; L47-L52 HydrophobicContact CD1-CD2 3.72Å; L47-L52 HydrophobicContact CD1-CG 4.2Å
53K64Low71.6Confident38 Ų3860.1 Ų60.117%0.16532%0.316CS..EExtended strand (participates in β ladder)trans-133.5126.8-173.5-75.6176.7172.7179.70109.8V13 K14 T15 V45 S46 D48V13-K53 HydrophobicContact CG1-CB 3.62Å; V13-K53 HydrophobicContact CG1-CD 3.42Å; V13-K53 VanDerWaalsContact CG1-CD 3.42Å; V13-K53 HydrophobicContact CG1-CG 3.33Å; K14-K53 WeakPolarHBondContact O-CA 3.41Å; T15-K53 HydrophobicContact CG2-CG 4.43Å; V45-K53 CarbonylContact C-O 3.49Å; V45-K53 VanDerWaalsContact CA-O 3.3Å; V45-K53 WeakPolarHBondContact CA-O 3.05Å; S46-K53 PolarHBondContact N-O 3.03Å; S46-K53 PolarHBondContact O-N 3.3Å; S46-K53 WeakPolarHBondContact OG-CB 3.4Å; D48-K53 HydrophobicContact CB-CD 4.15Å; D48-K53 IonicContact OD2-NZ 3.27Å; D48-K53 PolarHBondContact OD2-NZ 2.88Å
54I64Low72.4Confident1 Ų154.3 Ų54.31%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-86.1128.5166.7-62162.2000108K14 F24 L31 L56K14-I54 PolarHBondContact O-N 3.29Å; F24-I54 HydrophobicContact CD2-CD1 4.28Å; F24-I54 HydrophobicContact CE2-CD1 3.67Å; F24-I54 HydrophobicContact CE2-CG1 3.55Å; F24-I54 HydrophobicContact CZ-CD1 4.24Å; F24-I54 HydrophobicContact CZ-CG1 3.7Å; L31-I54 HydrophobicContact CD1-CD1 4.3Å; I54-L56 HydrophobicContact CG2-CD1 4.37Å; I54-L56 HydrophobicContact CG2-CD2 3.7Å; I54-L56 HydrophobicContact CG2-CG 3.82Å
55L62.3Low73.5Confident42 Ų4253.5 Ų53.522%0.2228%0.282CS..EExtended strand (participates in β ladder)trans-88.1109.8178.5-65.9166.4000110T2 K43 G44T2-L55 HydrophobicContact CG2-CD1 3.77Å; T2-L55 HydrophobicContact CG2-CD2 3.78Å; T2-L55 HydrophobicContact CG2-CG 4.23Å; K43-L55 WeakPolarHBondContact CB-O 3.43Å; G44-L55 PolarHBondContact O-N 3.16Å
56L65.7Low74.2Confident20 Ų2054.7 Ų54.711%0.10529%0.293CS..EExtended strand (participates in β ladder)trans-122.8130.2178.2-58.8177.4000109.7V11 A12 V40 I54 L58 L107V11-L56 CarbonylContact C-O 3.58Å; V11-L56 WeakPolarHBondContact CA-O 3.34Å; V11-L56 WeakPolarHBondContact CB-O 3.42Å; A12-L56 HydrophobicContact CB-CB 4.19Å; A12-L56 PolarHBondContact N-O 3.41Å; A12-L56 PolarHBondContact O-N 2.96Å; V40-L56 HydrophobicContact CG1-CD1 3.79Å; V40-L56 HydrophobicContact CG1-CD2 3.27Å; V40-L56 HydrophobicContact CG1-CG 4.12Å; I54-L56 HydrophobicContact CG2-CD1 4.37Å; I54-L56 HydrophobicContact CG2-CD2 3.7Å; I54-L56 HydrophobicContact CG2-CG 3.82Å; L56-L58 HydrophobicContact CB-CD1 4.48Å; L56-L58 PolarHBondContact O-N 3.46Å; L56-L107 HydrophobicContact CD1-CD1 3.65Å
57I65.9Low75.1Confident42 Ų4260.6 Ų60.622%0.21531%0.314CS..  trans-97.568.6178.5-54.9172.4000108.1Q9 M10 V11 K109Q9-I57 HydrophobicContact CB-CG2 4.33Å; Q9-I57 VanDerWaalsContact OE1-CD1 3.29Å; M10-I57 WeakPolarHBondContact O-CG2 3.34Å; V11-I57 HydrophobicContact CG1-CG1 3.91Å; I57-K109 WeakPolarHBondContact O-CD 3.37Å
58L75.1Confident76.1Confident21 Ų2158.1 Ų58.111%0.1130%0.299CS..  trans-148.6157.3-172.3-54.1167.2000110.1A12 V40 L56 L107 K109 K114A12-L58 WeakPolarHBondContact CB-O 3.39Å; V40-L58 HydrophobicContact CB-CD1 4.42Å; V40-L58 HydrophobicContact CG1-CD1 4.04Å; V40-L58 HydrophobicContact CG2-CD1 3.8Å; L56-L58 HydrophobicContact CB-CD1 4.48Å; L56-L58 PolarHBondContact O-N 3.46Å; L58-L107 HydrophobicContact CB-CB 3.74Å; L58-L107 HydrophobicContact CB-CD1 4.02Å; L58-L107 HydrophobicContact CB-CG 4.4Å; L58-L107 HydrophobicContact CD1-CB 3.71Å; L58-L107 HydrophobicContact CD1-CD1 3.56Å; L58-L107 HydrophobicContact CD1-CG 4.28Å; L58-L107 HydrophobicContact CG-CB 4.28Å; L58-L107 HydrophobicContact CG-CD1 4.39Å; L58-K109 HydrophobicContact CD2-CB 3.35Å; L58-K109 HydrophobicContact CD2-CD 4.17Å; L58-K109 HydrophobicContact CD2-CG 4.36Å; L58-K114 HydrophobicContact CD1-CD 3.92Å; L58-K114 HydrophobicContact CD2-CD 3.63Å; L58-K114 HydrophobicContact CG-CD 4.49Å
59V79.7Confident77.2Confident57 Ų5756 Ų5635%0.34529%0.291SS..EExtended strand (participates in β ladder)trans-101.4149.1172.5-1790000109.1D63 L107 I108V59-D63 HydrophobicContact CG1-CB 4.25Å; V59-L107 CarbonylContact O-C 3.25Å; V59-L107 VanDerWaalsContact O-CA 3.25Å; V59-L107 WeakPolarHBondContact O-CA 3.49Å; V59-I108 HydrophobicContact CB-CG2 4.1Å; V59-I108 PolarHBondContact N-O 2.89Å; V59-I108 PolarHBondContact O-N 2.91Å
60A87.4Confident78.4Confident29 Ų2960.3 Ų60.324%0.2431%0.308CS..EExtended strand (participates in β ladder)trans-63.9136.6172.900000110.8L62 D63 Y64 L107A60-L62 VanDerWaalsContact C-N 3.27Å; A60-L62 PolarHBondContact O-N 3.06Å; A60-D63 HydrophobicContact CB-CB 4.42Å; A60-D63 PolarHBondContact O-N 2.69Å; A60-Y64 PolarHBondContact O-N 2.87Å; A60-Y64 VanDerWaalsContact O-N 3.14Å; A60-L107 HydrophobicContact CB-CD2 4.46Å
61L90.7Very high79.7Confident0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-61.5-38.5179.6179.267.2000111.5D63 Y64 L65 L80 A103 C106 I108 L113 L160 I164L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.87Å; L61-Y64 HydrophobicContact CD1-CD1 4.39Å; L61-Y64 WeakPolarHBondContact O-CB 3.43Å; L61-Y64 PolarHBondContact O-N 3.13Å; L61-L65 HydrophobicContact CD1-CD1 4.37Å; L61-L65 HydrophobicContact CD1-CD2 4.48Å; L61-L65 HydrophobicContact CD1-CG 4.1Å; L61-L65 HydrophobicContact CD2-CD1 4.28Å; L61-L65 HydrophobicContact CG-CD1 3.88Å; L61-L65 HydrophobicContact CG-CG 4.08Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 2.98Å; L61-L80 HydrophobicContact CD1-CD1 4.25Å; L61-A103 HydrophobicContact CD2-CB 4.21Å; L61-C106 HydrophobicContact CB-CB 3.78Å; L61-C106 VanDerWaalsContact CB-O 3.25Å; L61-C106 WeakPolarHBondContact CB-O 3.4Å; L61-C106 HydrophobicContact CD2-CB 3.52Å; L61-C106 HydrophobicContact CG-CB 4.29Å; L61-C106 PolarHBondContact N-O 3.48Å; L61-I108 HydrophobicContact CD1-CD1 4.43Å; L61-L113 HydrophobicContact CD1-CD1 4.07Å; L61-L113 HydrophobicContact CD2-CD1 3.54Å; L61-L113 HydrophobicContact CD2-CG 4.46Å; L61-L113 HydrophobicContact CG-CD1 4.43Å; L61-L160 HydrophobicContact CD2-CD1 4.35Å; L61-I164 HydrophobicContact CD2-CD1 4.46Å; L61-I164 HydrophobicContact CD2-CG1 4.25Å
62L89.1Confident81.3Confident49 Ų4949.8 Ų49.826%0.25727%0.273SS..Hα-helixtrans-55.5-47.2176.1-67.6-178.3000112.3A60 Y64 L65 S66 A103 R104 A168A60-L62 VanDerWaalsContact C-N 3.27Å; A60-L62 PolarHBondContact O-N 3.06Å; L62-Y64 VanDerWaalsContact C-N 3.31Å; L62-Y64 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 2.9Å; L62-S66 WeakPolarHBondContact O-CB 3.31Å; L62-S66 PolarHBondContact O-N 3.43Å; L62-A103 HydrophobicContact CD2-CB 3.58Å; L62-A103 HydrophobicContact CG-CB 4.36Å; L62-R104 HydrophobicContact CD1-CB 3.62Å; L62-R104 HydrophobicContact CG-CB 4.38Å; L62-A168 HydrophobicContact CD2-CB 3.31Å
63D88.6Confident82.9Confident86 Ų8651.6 Ų51.646%0.4629%0.285SS..Hα-helixtrans-64-39.8178.6-66.4-17.9000111.2V59 A60 L61 K67V59-D63 HydrophobicContact CG1-CB 4.25Å; A60-D63 HydrophobicContact CB-CB 4.42Å; A60-D63 PolarHBondContact O-N 2.69Å; L61-D63 VanDerWaalsContact C-N 3.33Å; L61-D63 PolarHBondContact O-N 2.87Å; D63-K67 VanDerWaalsContact O-CB 3.3Å; D63-K67 WeakPolarHBondContact O-CB 3.46Å; D63-K67 WeakPolarHBondContact O-CG 3.46Å; D63-K67 PolarHBondContact O-N 3.34Å
64Y92Very high84.3Confident29 Ų2951.5 Ų51.511%0.11429%0.289CS..Hα-helixtrans-64.1-49.8177.1178.1-94.4000111.8A60 L61 L62 S66 K67 H68 L72 L80 I108A60-Y64 PolarHBondContact O-N 2.87Å; A60-Y64 VanDerWaalsContact O-N 3.14Å; L61-Y64 HydrophobicContact CD1-CD1 4.39Å; L61-Y64 WeakPolarHBondContact O-CB 3.43Å; L61-Y64 PolarHBondContact O-N 3.13Å; L62-Y64 VanDerWaalsContact C-N 3.31Å; L62-Y64 PolarHBondContact O-N 3.38Å; Y64-S66 VanDerWaalsContact C-N 3.35Å; Y64-S66 PolarHBondContact O-N 2.9Å; Y64-K67 PolarHBondContact O-N 3.28Å; Y64-H68 AromaticContact CD2-CD2 3.46Å; Y64-H68 VanDerWaalsContact CD2-CD2 3.46Å; Y64-H68 WeakPolarHBondContact CD2-CD2 3.34Å; Y64-H68 AromaticContact CD2-NE2 3.85Å; Y64-H68 AromaticContact CE2-CD2 3.37Å; Y64-H68 WeakPolarHBondContact CE2-CD2 3.22Å; Y64-H68 AromaticContact CE2-NE2 3.63Å; Y64-H68 AromaticContact CZ-CD2 3.89Å; Y64-H68 WeakPolarHBondContact O-CB 3.47Å; Y64-H68 PolarHBondContact O-CD2 2.65Å; Y64-H68 PolarHBondContact O-N 2.86Å; Y64-L72 HydrophobicContact CE1-CD1 4.08Å; Y64-L72 HydrophobicContact CE1-CD2 3.95Å; Y64-L80 HydrophobicContact CE1-CD1 4.22Å; Y64-I108 HydrophobicContact CD1-CD1 3.56Å; Y64-I108 HydrophobicContact CD2-CD1 4.01Å; Y64-I108 HydrophobicContact CD2-CG2 4.06Å; Y64-I108 HydrophobicContact CE1-CD1 3.54Å; Y64-I108 HydrophobicContact CE2-CD1 4.02Å; Y64-I108 HydrophobicContact CG-CD1 3.79Å; Y64-I108 HydrophobicContact CG-CG2 3.84Å
65L92.4Very high85.7Confident0 Ų052.8 Ų52.80%030%0.295CS..Hα-helixtrans-59.6-46178.7-71.2174.7000111.3L61 L62 H68 A69 L72 L80 I164 N167 A168L61-L65 HydrophobicContact CD1-CD1 4.37Å; L61-L65 HydrophobicContact CD1-CD2 4.48Å; L61-L65 HydrophobicContact CD1-CG 4.1Å; L61-L65 HydrophobicContact CD2-CD1 4.28Å; L61-L65 HydrophobicContact CG-CD1 3.88Å; L61-L65 HydrophobicContact CG-CG 4.08Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 2.98Å; L62-L65 PolarHBondContact O-N 2.9Å; L65-H68 CarbonylContact O-C 3.56Å; L65-H68 PolarHBondContact O-N 3.25Å; L65-A69 WeakPolarHBondContact O-CA 3.4Å; L65-A69 PolarHBondContact O-N 2.81Å; L65-L72 HydrophobicContact CD2-CD1 3.8Å; L65-L80 HydrophobicContact CD2-CD1 4.13Å; L65-I164 HydrophobicContact CD1-CG1 4.37Å; L65-I164 HydrophobicContact CD2-CG2 4.44Å; L65-N167 HydrophobicContact CB-CB 4.37Å; L65-A168 HydrophobicContact CD1-CB 4.18Å
66S89.7Confident87.3Confident83 Ų8352.8 Ų52.858%0.5829%0.294SS*.Hα-helixtrans-61.5-48.9178.11790000112.1L62 Y64 H68 A69L62-S66 WeakPolarHBondContact O-CB 3.31Å; L62-S66 PolarHBondContact O-N 3.43Å; Y64-S66 VanDerWaalsContact C-N 3.35Å; Y64-S66 PolarHBondContact O-N 2.9Å; S66-H68 VanDerWaalsContact C-N 3.25Å; S66-H68 PolarHBondContact O-N 3.45Å; S66-A69 PolarHBondContact O-N 3.19Å
67K90.4Very high88.7Confident158 Ų15852.4 Ų52.469%0.68729%0.292SS*.Hα-helixtrans-63.8-29.2179.6-75.1173.6-177176.80113.6D63 Y64D63-K67 VanDerWaalsContact O-CB 3.3Å; D63-K67 WeakPolarHBondContact O-CB 3.46Å; D63-K67 WeakPolarHBondContact O-CG 3.46Å; D63-K67 PolarHBondContact O-N 3.34Å; Y64-K67 PolarHBondContact O-N 3.28Å
68H90.9Very high90.2Very high72 Ų7250.4 Ų50.433%0.33328%0.282SS..THydrogen-bonded Turntrans-109.213.9-175.6-66.4-73.4000113.6Y64 L65 S66 N70 S71 L72Y64-H68 AromaticContact CD2-CD2 3.46Å; Y64-H68 VanDerWaalsContact CD2-CD2 3.46Å; Y64-H68 WeakPolarHBondContact CD2-CD2 3.34Å; Y64-H68 AromaticContact CD2-NE2 3.85Å; Y64-H68 AromaticContact CE2-CD2 3.37Å; Y64-H68 WeakPolarHBondContact CE2-CD2 3.22Å; Y64-H68 AromaticContact CE2-NE2 3.63Å; Y64-H68 AromaticContact CZ-CD2 3.89Å; Y64-H68 WeakPolarHBondContact O-CB 3.47Å; Y64-H68 PolarHBondContact O-CD2 2.65Å; Y64-H68 PolarHBondContact O-N 2.86Å; L65-H68 CarbonylContact O-C 3.56Å; L65-H68 PolarHBondContact O-N 3.25Å; S66-H68 VanDerWaalsContact C-N 3.25Å; S66-H68 PolarHBondContact O-N 3.45Å; H68-N70 PolarHBondContact O-N 3.27Å; H68-N70 VanDerWaalsContact O-N 3.08Å; H68-S71 WeakPolarHBondContact CA-OG 3.37Å; H68-S71 WeakPolarHBondContact CB-OG 3.3Å; H68-S71 PolarHBondContact O-N 3.32Å; H68-S71 PolarHBondContact O-OG 3.1Å; H68-L72 HydrophobicContact CB-CD1 3.96Å; H68-L72 HydrophobicContact CB-CD2 4.35Å; H68-L72 HydrophobicContact CB-CG 3.75Å; H68-L72 PolarHBondContact O-N 3.22Å
69A88.4Confident91.2Very high28 Ų2853.2 Ų53.223%0.23129%0.293CS..THydrogen-bonded Turntrans-54.1-36-170.800000114L65 S66 N167L65-A69 WeakPolarHBondContact O-CA 3.4Å; L65-A69 PolarHBondContact O-N 2.81Å; S66-A69 PolarHBondContact O-N 3.19Å; A69-N167 WeakPolarHBondContact CA-ND2 3.07Å; A69-N167 HydrophobicContact CB-CB 3.85Å; A69-N167 PolarHBondContact O-ND2 3.15Å; A69-N167 VanDerWaalsContact O-ND2 3.07Å
70N86.8Confident92.1Very high176 Ų17650.7 Ų50.794%0.94128%0.277SS*.THydrogen-bonded Turntrans-89.3-4.7-179.9-62.1-29.1000114.1H68H68-N70 PolarHBondContact O-N 3.27Å; H68-N70 VanDerWaalsContact O-N 3.08Å
71S91.9Very high92.6Very high72 Ų7249.3 Ų49.350%0.50327%0.266SS..THydrogen-bonded Turntrans-118-21.6-172.963.60000114.1H68 T73H68-S71 WeakPolarHBondContact CA-OG 3.37Å; H68-S71 WeakPolarHBondContact CB-OG 3.3Å; H68-S71 PolarHBondContact O-N 3.32Å; H68-S71 PolarHBondContact O-OG 3.1Å; S71-T73 PolarHBondContact O-N 3.2Å
72L92.3Very high93Very high18 Ų1849.5 Ų49.59%0.09427%0.267CS..  trans-72.2121.9179.9-73.1170.8000110.6Y64 L65 H68 E76 H77Y64-L72 HydrophobicContact CE1-CD1 4.08Å; Y64-L72 HydrophobicContact CE1-CD2 3.95Å; L65-L72 HydrophobicContact CD2-CD1 3.8Å; H68-L72 HydrophobicContact CB-CD1 3.96Å; H68-L72 HydrophobicContact CB-CD2 4.35Å; H68-L72 HydrophobicContact CB-CG 3.75Å; H68-L72 PolarHBondContact O-N 3.22Å; L72-E76 HydrophobicContact CD2-CB 3.89Å; L72-H77 PolarHBondContact O-CE1 3.46Å
73T93.2Very high93.4Very high63 Ų6348.1 Ų48.139%0.38726%0.259SS..  trans-76.5156.9171.763.20000110.9S71 Q75 E76 H77S71-T73 PolarHBondContact O-N 3.2Å; T73-Q75 PolarHBondContact O-N 3.16Å; T73-Q75 VanDerWaalsContact O-N 3.13Å; T73-E76 PolarHBondContact N-OE2 3.09Å; T73-E76 WeakPolarHBondContact O-CA 3.37Å; T73-E76 WeakPolarHBondContact O-CB 3.18Å; T73-E76 PolarHBondContact O-N 3.25Å; T73-E76 WeakPolarHBondContact OG1-CG 3.29Å; T73-E76 PolarHBondContact OG1-N 3.12Å; T73-E76 PolarHBondContact OG1-OE2 3.03Å; T73-H77 PolarHBondContact O-N 3.33Å; T73-H77 PolarHBondContact O-ND1 3.14Å
74S93.2Very high93.9Very high35 Ų3544 Ų4425%0.24524%0.237CC..Hα-helixtrans-55.9-30.9174-173.60000113L78 P188S74-L78 WeakPolarHBondContact O-CB 3.5Å; S74-L78 PolarHBondContact O-N 2.67Å; S74-P188 WeakPolarHBondContact OG-CD 3.33Å; S74-P188 VanDerWaalsContact OG-CG 3.24Å; S74-P188 WeakPolarHBondContact OG-CG 3.41Å
75Q93.9Very high94.2Very high28 Ų2842.6 Ų42.613%0.13123%0.232CC..Hα-helixtrans-70.1-37.3173.8-176.7-177.2-7.700112T73 L78 K79 Y220 L223T73-Q75 PolarHBondContact O-N 3.16Å; T73-Q75 VanDerWaalsContact O-N 3.13Å; Q75-L78 PolarHBondContact O-N 3.33Å; Q75-K79 WeakPolarHBondContact O-CB 3.47Å; Q75-K79 PolarHBondContact O-N 2.85Å; Q75-Y220 HydrophobicContact CG-CD2 4.17Å; Q75-Y220 HydrophobicContact CG-CE2 3.48Å; Q75-Y220 VanDerWaalsContact CG-CE2 3.48Å; Q75-Y220 PolarHBondContact NE2-OH 3.17Å; Q75-Y220 WeakPolarHBondContact O-CE2 3.5Å; Q75-L223 HydrophobicContact CB-CD2 3.89Å; Q75-L223 HydrophobicContact CB-CG 4.35Å
76E95.1Very high94.5Very high43 Ų4346.9 Ų46.920%0.20125%0.248CC..Hα-helixtrans-68.9-39.8175.3-71.4165.8129.100111.6L72 T73 L78 K79 L80 R111L72-E76 HydrophobicContact CD2-CB 3.89Å; T73-E76 PolarHBondContact N-OE2 3.09Å; T73-E76 WeakPolarHBondContact O-CA 3.37Å; T73-E76 WeakPolarHBondContact O-CB 3.18Å; T73-E76 PolarHBondContact O-N 3.25Å; T73-E76 WeakPolarHBondContact OG1-CG 3.29Å; T73-E76 PolarHBondContact OG1-N 3.12Å; T73-E76 PolarHBondContact OG1-OE2 3.03Å; E76-L78 PolarHBondContact O-N 3.45Å; E76-K79 WeakPolarHBondContact O-CB 3.41Å; E76-K79 PolarHBondContact O-N 3.06Å; E76-L80 WeakPolarHBondContact O-CG 3.23Å; E76-L80 PolarHBondContact O-N 2.99Å; E76-L80 VanDerWaalsContact O-N 3.09Å; E76-R111 IonicContact OE1-CZ 2.97Å; E76-R111 IonicContact OE1-NH1 3.3Å; E76-R111 PolarHBondContact OE1-NH1 3.13Å; E76-R111 IonicContact OE1-NH2 3.97Å
77H96.4Very high94.9Very high11 Ų1142.9 Ų42.95%0.05122%0.22CC..Hα-helixtrans-56.3-50.2169.8-67.5122.3000111.4L72 T73 K79 L80 I81 I164 Y165 N167L72-H77 PolarHBondContact O-CE1 3.46Å; T73-H77 PolarHBondContact O-N 3.33Å; T73-H77 PolarHBondContact O-ND1 3.14Å; H77-K79 VanDerWaalsContact C-N 3.31Å; H77-K79 PolarHBondContact O-N 3.33Å; H77-L80 WeakPolarHBondContact O-CB 3.24Å; H77-L80 PolarHBondContact O-N 3.04Å; H77-L80 VanDerWaalsContact O-N 3.16Å; H77-I81 WeakPolarHBondContact O-CG1 3.33Å; H77-I81 PolarHBondContact O-N 3.43Å; H77-I81 VanDerWaalsContact O-N 3.08Å; H77-I164 HydrophobicContact CB-CG2 3.89Å; H77-I164 PolarHBondContact CD2-O 3.47Å; H77-I164 PolarHBondContact NE2-O 3.29Å; H77-Y165 HydrophobicContact CB-CD1 4.13Å; H77-Y165 HydrophobicContact CB-CE1 3.86Å; H77-Y165 HydrophobicContact CB-CE2 4.49Å; H77-N167 PolarHBondContact NE2-OD1 3.27Å
78L97Very high95.3Very high1 Ų135.4 Ų35.41%0.00519%0.188CC..Hα-helixtrans-63.8-36.3179.6-172.851.6000112.1S74 Q75 E76 L80 I81 V82 V191 L216 A219 Y220 L223S74-L78 WeakPolarHBondContact O-CB 3.5Å; S74-L78 PolarHBondContact O-N 2.67Å; Q75-L78 PolarHBondContact O-N 3.33Å; E76-L78 PolarHBondContact O-N 3.45Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.22Å; L78-I81 HydrophobicContact CD1-CB 4.45Å; L78-I81 WeakPolarHBondContact O-CB 3Å; L78-I81 PolarHBondContact O-N 3.14Å; L78-V82 WeakPolarHBondContact O-CG2 3.45Å; L78-V82 PolarHBondContact O-N 3.35Å; L78-V191 HydrophobicContact CD1-CG2 3.82Å; L78-V191 HydrophobicContact CD2-CG2 3.98Å; L78-L216 HydrophobicContact CD1-CD2 3.76Å; L78-A219 HydrophobicContact CD2-CB 4.11Å; L78-Y220 HydrophobicContact CB-CD2 4.24Å; L78-Y220 HydrophobicContact CD2-CD2 4.31Å; L78-Y220 HydrophobicContact CG-CD2 4.03Å; L78-L223 HydrophobicContact CD2-CD2 4.21Å
79K97.2Very high95.7Very high79 Ų7933.8 Ų33.834%0.34318%0.183SC..Hα-helixtrans-59.7-43.2173.8-170.3178.5-178.2177.40112Q75 E76 H77 I81 V82 H83 Y220Q75-K79 WeakPolarHBondContact O-CB 3.47Å; Q75-K79 PolarHBondContact O-N 2.85Å; E76-K79 WeakPolarHBondContact O-CB 3.41Å; E76-K79 PolarHBondContact O-N 3.06Å; H77-K79 VanDerWaalsContact C-N 3.31Å; H77-K79 PolarHBondContact O-N 3.33Å; K79-I81 VanDerWaalsContact C-N 3.31Å; K79-V82 PolarHBondContact O-N 3.03Å; K79-H83 VanDerWaalsContact O-CG 3.3Å; K79-H83 PolarHBondContact O-N 2.89Å; K79-Y220 HydrophobicContact CB-CD2 4.5Å; K79-Y220 HydrophobicContact CB-CE2 3.72Å; K79-Y220 HydrophobicContact CG-CE2 4.28Å
80L97.8Very high96.1Very high4 Ų434.6 Ų34.62%0.02118%0.18CC..Hα-helixtrans-63.3-39.7176-65172.4000111.2L61 Y64 L65 E76 H77 L78 H83 A84 I108 L113 I164L61-L80 HydrophobicContact CD1-CD1 4.25Å; Y64-L80 HydrophobicContact CE1-CD1 4.22Å; L65-L80 HydrophobicContact CD2-CD1 4.13Å; E76-L80 WeakPolarHBondContact O-CG 3.23Å; E76-L80 PolarHBondContact O-N 2.99Å; E76-L80 VanDerWaalsContact O-N 3.09Å; H77-L80 WeakPolarHBondContact O-CB 3.24Å; H77-L80 PolarHBondContact O-N 3.04Å; H77-L80 VanDerWaalsContact O-N 3.16Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.22Å; L80-H83 WeakPolarHBondContact O-CB 3.44Å; L80-H83 PolarHBondContact O-N 3.48Å; L80-A84 PolarHBondContact O-N 3.46Å; L80-I108 HydrophobicContact CD2-CD1 3.63Å; L80-L113 HydrophobicContact CB-CD1 4.07Å; L80-L113 HydrophobicContact CD2-CB 4.01Å; L80-L113 HydrophobicContact CD2-CD1 4.49Å; L80-I164 HydrophobicContact CB-CD1 4.34Å; L80-I164 HydrophobicContact CB-CG2 4.35Å; L80-I164 HydrophobicContact CD1-CG2 4.38Å
81I98.3Very high96.6Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-65.2-42.3175.8-68.2166.2000111.3H77 L78 K79 H83 A84 V85 F157 M161 I164 Y165 L216H77-I81 WeakPolarHBondContact O-CG1 3.33Å; H77-I81 PolarHBondContact O-N 3.43Å; H77-I81 VanDerWaalsContact O-N 3.08Å; L78-I81 HydrophobicContact CD1-CB 4.45Å; L78-I81 WeakPolarHBondContact O-CB 3Å; L78-I81 PolarHBondContact O-N 3.14Å; K79-I81 VanDerWaalsContact C-N 3.31Å; I81-H83 VanDerWaalsContact C-N 3.32Å; I81-H83 PolarHBondContact O-N 2.98Å; I81-A84 WeakPolarHBondContact O-CB 3.39Å; I81-A84 PolarHBondContact O-N 3.32Å; I81-A84 VanDerWaalsContact O-N 3.13Å; I81-V85 PolarHBondContact O-N 3.21Å; I81-F157 HydrophobicContact CG2-CZ 3.81Å; I81-M161 HydrophobicContact CD1-CB 4.01Å; I81-M161 HydrophobicContact CD1-CG 4.11Å; I81-M161 HydrophobicContact CG1-CB 4.44Å; I81-M161 HydrophobicContact CG1-CG 4.19Å; I81-M161 HydrophobicContact CG2-CE 4.38Å; I81-M161 HydrophobicContact CG2-CG 3.77Å; I81-M161 HydrophobicContact CG2-SD 4.42Å; I81-I164 HydrophobicContact CD1-CB 4.38Å; I81-I164 HydrophobicContact CD1-CG2 4.23Å; I81-I164 HydrophobicContact CG1-CB 4.24Å; I81-I164 HydrophobicContact CG1-CD1 3.62Å; I81-I164 HydrophobicContact CG1-CG2 4.11Å; I81-Y165 HydrophobicContact CD1-CD2 3.68Å; I81-Y165 HydrophobicContact CD1-CE2 3.31Å; I81-L216 HydrophobicContact CG2-CD1 3.74Å; I81-L216 HydrophobicContact CG2-CD2 3.73Å; I81-L216 HydrophobicContact CG2-CG 4.36Å
82V98.5Very high96.8Very high5 Ų524.2 Ų24.23%0.0312%0.121CC..Hα-helixtrans-61.2-40.3174.6168.80000111.3L78 K79 V85 R86 L216 E217L78-V82 WeakPolarHBondContact O-CG2 3.45Å; L78-V82 PolarHBondContact O-N 3.35Å; K79-V82 PolarHBondContact O-N 3.03Å; V82-V85 WeakPolarHBondContact O-CG1 3.45Å; V82-R86 WeakPolarHBondContact O-CD 3.41Å; V82-R86 VanDerWaalsContact O-CG 3.31Å; V82-R86 WeakPolarHBondContact O-CG 3.49Å; V82-R86 PolarHBondContact O-N 3.15Å; V82-R86 VanDerWaalsContact O-N 3.15Å; V82-L216 HydrophobicContact CG2-CB 4.1Å; V82-E217 HydrophobicContact CG1-CG 4.18Å
83H98.5Very high97Very high19 Ų1926.2 Ų26.29%0.08815%0.146CC..Hα-helixtrans-61.2-45.1172.1-70.4163.1000112N38 K79 L80 I81 G87 R111 L113N38-H83 WeakPolarHBondContact CB-O 3.34Å; N38-H83 VanDerWaalsContact ND2-CB 3.26Å; N38-H83 WeakPolarHBondContact ND2-CB 3.45Å; K79-H83 VanDerWaalsContact O-CG 3.3Å; K79-H83 PolarHBondContact O-N 2.89Å; L80-H83 WeakPolarHBondContact O-CB 3.44Å; L80-H83 PolarHBondContact O-N 3.48Å; I81-H83 VanDerWaalsContact C-N 3.32Å; I81-H83 PolarHBondContact O-N 2.98Å; H83-G87 PolarHBondContact O-N 2.99Å; H83-R111 PolarHBondContact CE1-O 2.79Å; H83-R111 VanDerWaalsContact CE1-O 3.27Å; H83-L113 HydrophobicContact CB-CB 3.8Å; H83-L113 PolarHBondContact ND1-N 3.32Å
84A98.6Very high97Very high0 Ų027.8 Ų27.80%015%0.149CC..Hα-helixtrans-63.1-45.8178.800000111.8L80 I81 R86 G87 M88 L113 I115 F157 L160L80-A84 PolarHBondContact O-N 3.46Å; I81-A84 WeakPolarHBondContact O-CB 3.39Å; I81-A84 PolarHBondContact O-N 3.32Å; I81-A84 VanDerWaalsContact O-N 3.13Å; A84-R86 PolarHBondContact O-N 2.99Å; A84-G87 PolarHBondContact O-N 3.13Å; A84-G87 VanDerWaalsContact O-N 3.15Å; A84-M88 PolarHBondContact O-N 3.15Å; A84-L113 HydrophobicContact CB-CD1 4.39Å; A84-L113 HydrophobicContact CB-CD2 3.76Å; A84-I115 WeakPolarHBondContact O-CD1 3.48Å; A84-F157 HydrophobicContact CB-CE2 3.86Å; A84-L160 HydrophobicContact CB-CD2 3.93Å
85V98.8Very high97Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-64.2-40.9-17975.40000111.9I81 V82 G87 M88 V89 F157 F209 L212 E213 L216I81-V85 PolarHBondContact O-N 3.21Å; V82-V85 WeakPolarHBondContact O-CG1 3.45Å; V85-G87 VanDerWaalsContact C-N 3.28Å; V85-G87 PolarHBondContact O-N 2.98Å; V85-M88 CarbonylContact O-C 3.47Å; V85-M88 WeakPolarHBondContact O-CA 3.4Å; V85-M88 PolarHBondContact O-N 3.44Å; V85-V89 WeakPolarHBondContact O-CG2 3.4Å; V85-V89 PolarHBondContact O-N 3.44Å; V85-F157 HydrophobicContact CB-CE1 4.43Å; V85-F157 HydrophobicContact CB-CE2 3.93Å; V85-F157 HydrophobicContact CB-CZ 3.62Å; V85-F157 HydrophobicContact CG2-CE1 4.37Å; V85-F157 HydrophobicContact CG2-CE2 4.47Å; V85-F157 HydrophobicContact CG2-CZ 4.01Å; V85-F209 HydrophobicContact CG2-CD1 4.23Å; V85-L212 HydrophobicContact CG2-CB 3.81Å; V85-E213 HydrophobicContact CG1-CB 3.98Å; V85-E213 HydrophobicContact CG1-CG 4.22Å; V85-E213 HydrophobicContact CG2-CB 4.07Å; V85-L216 HydrophobicContact CB-CD1 3.87Å; V85-L216 HydrophobicContact CG1-CD1 3.83Å; V85-L216 HydrophobicContact CG2-CD1 4.07Å
86R98.6Very high96.9Very high89 Ų8930.3 Ų30.334%0.33616%0.156SC..Hα-helixtrans-55.3-43.2172.8-76.7165.7175.5-176.90.8112.1H36 V82 A84 Y90 E213 E217H36-R86 PolarHBondContact CE1-O 2.87Å; V82-R86 WeakPolarHBondContact O-CD 3.41Å; V82-R86 VanDerWaalsContact O-CG 3.31Å; V82-R86 WeakPolarHBondContact O-CG 3.49Å; V82-R86 PolarHBondContact O-N 3.15Å; V82-R86 VanDerWaalsContact O-N 3.15Å; A84-R86 PolarHBondContact O-N 2.99Å; R86-Y90 PolarHBondContact O-N 3.08Å; R86-Y90 VanDerWaalsContact O-N 3.14Å; R86-E213 HydrophobicContact CG-CG 4.48Å; R86-E213 WeakPolarHBondContact CG-OE1 3.36Å; R86-E217 IonicContact CZ-OE1 2.7Å; R86-E217 VanDerWaalsContact CZ-OE1 3.3Å; R86-E217 IonicContact NE-OE1 3.32Å; R86-E217 PolarHBondContact NE-OE1 2.73Å; R86-E217 IonicContact NH2-OE1 2.74Å; R86-E217 PolarHBondContact NH2-OE1 2.63Å
87G98.2Very high96.9Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-60.9-43.9173.200000112.7H83 A84 V85 Y90 L91H83-G87 PolarHBondContact O-N 2.99Å; A84-G87 PolarHBondContact O-N 3.13Å; A84-G87 VanDerWaalsContact O-N 3.15Å; V85-G87 VanDerWaalsContact C-N 3.28Å; V85-G87 PolarHBondContact O-N 2.98Å; G87-Y90 WeakPolarHBondContact O-CB 3.46Å; G87-Y90 PolarHBondContact O-N 3.44Å; G87-L91 WeakPolarHBondContact O-CG 3.04Å; G87-L91 PolarHBondContact O-N 3.22Å
88M98.5Very high96.8Very high1 Ų127.8 Ų27.81%0.00514%0.144CC..Hα-helixtrans-72.2-32.6179.7-67.4-54-61.400113.7A84 V85 Y90 L91 S92 H98 L101 I115 D153 F157 F209A84-M88 PolarHBondContact O-N 3.15Å; V85-M88 CarbonylContact O-C 3.47Å; V85-M88 WeakPolarHBondContact O-CA 3.4Å; V85-M88 PolarHBondContact O-N 3.44Å; M88-Y90 VanDerWaalsContact C-N 3.33Å; M88-L91 HydrophobicContact CE-CD1 4.45Å; M88-L91 PolarHBondContact O-N 3.09Å; M88-L91 HydrophobicContact SD-CD1 3.8Å; M88-S92 VanDerWaalsContact O-CB 3.25Å; M88-S92 WeakPolarHBondContact O-CB 3.35Å; M88-S92 PolarHBondContact O-N 2.83Å; M88-H98 HydrophobicContact CE-CB 4.27Å; M88-L101 HydrophobicContact CE-CD2 4.04Å; M88-L101 HydrophobicContact CG-CD2 4Å; M88-L101 HydrophobicContact SD-CD1 4Å; M88-L101 HydrophobicContact SD-CD2 3.79Å; M88-L101 HydrophobicContact SD-CG 4.46Å; M88-I115 HydrophobicContact CG-CD1 3.64Å; M88-I115 HydrophobicContact SD-CD1 3.5Å; M88-I115 WeakPolarHBondContact SD-CD1 3.49Å; M88-D153 HydrophobicContact CE-CB 3.71Å; M88-F157 HydrophobicContact CG-CD2 4.4Å; M88-F209 HydrophobicContact CB-CB 4.49Å; M88-F209 HydrophobicContact CB-CD1 3.46Å; M88-F209 VanDerWaalsContact CB-CD1 3.46Å; M88-F209 HydrophobicContact CB-CD2 3.99Å; M88-F209 HydrophobicContact CB-CE1 3.48Å; M88-F209 VanDerWaalsContact CB-CE1 3.48Å; M88-F209 HydrophobicContact CB-CE2 4Å; M88-F209 HydrophobicContact CB-CG 3.73Å; M88-F209 HydrophobicContact CB-CZ 3.75Å; M88-F209 HydrophobicContact CE-CE1 4.28Å; M88-F209 HydrophobicContact CE-CE2 3.6Å; M88-F209 HydrophobicContact CE-CZ 3.46Å; M88-F209 VanDerWaalsContact CE-CZ 3.46Å; M88-F209 HydrophobicContact CG-CD1 4.3Å; M88-F209 HydrophobicContact CG-CE1 3.83Å; M88-F209 HydrophobicContact CG-CZ 3.99Å
89V98.4Very high96.6Very high37 Ų3728.6 Ų28.622%0.22415%0.147CC..Hα-helixtrans-58.8-48.6169.4170.70000109.7V85 L91 S92 G93 F209 E213V85-V89 WeakPolarHBondContact O-CG2 3.4Å; V85-V89 PolarHBondContact O-N 3.44Å; V89-L91 PolarHBondContact O-N 3.33Å; V89-S92 PolarHBondContact O-N 2.85Å; V89-G93 PolarHBondContact O-N 3.17Å; V89-F209 VanDerWaalsContact CG2-C 3.46Å; V89-F209 HydrophobicContact CG2-CB 3.74Å; V89-F209 WeakPolarHBondContact CG2-O 3.48Å; V89-E213 HydrophobicContact CG2-CB 3.88Å; V89-E213 HydrophobicContact CG2-CG 4.48Å
90Y97.8Very high96.3Very high46 Ų4625.6 Ų25.618%0.1814%0.135CC..Hα-helixtrans-58.2-49.4175.9173.3-100.7000112.1L34 R35 H36 I39 R86 G87 M88 S92 G93 Q94L34-Y90 HydrophobicContact CB-CE1 4.13Å; L34-Y90 HydrophobicContact CD2-CE1 3.83Å; R35-Y90 PolarHBondContact N-OH 3.45Å; H36-Y90 HydrophobicContact CB-CD1 3.6Å; H36-Y90 HydrophobicContact CB-CD2 4.06Å; H36-Y90 HydrophobicContact CB-CE1 3.89Å; H36-Y90 HydrophobicContact CB-CE2 4.35Å; H36-Y90 HydrophobicContact CB-CG 3.69Å; H36-Y90 AromaticContact CD2-CG 3.92Å; H36-Y90 AromaticContact CG-CG 3.8Å; I39-Y90 HydrophobicContact CG1-CD1 3.85Å; I39-Y90 HydrophobicContact CG1-CE1 4.32Å; R86-Y90 PolarHBondContact O-N 3.08Å; R86-Y90 VanDerWaalsContact O-N 3.14Å; G87-Y90 WeakPolarHBondContact O-CB 3.46Å; G87-Y90 PolarHBondContact O-N 3.44Å; M88-Y90 VanDerWaalsContact C-N 3.33Å; Y90-S92 VanDerWaalsContact C-N 3.34Å; Y90-S92 PolarHBondContact O-N 3.16Å; Y90-G93 PolarHBondContact O-N 3.09Å; Y90-Q94 HydrophobicContact CD1-CG 4.46Å; Y90-Q94 HydrophobicContact CE1-CG 4.01Å; Y90-Q94 HydrophobicContact CE2-CG 4.09Å; Y90-Q94 WeakPolarHBondContact O-CG 3.4Å; Y90-Q94 PolarHBondContact O-N 3.5Å
91L96.3Very high96.2Very high0 Ų025.5 Ų25.50%013%0.134CC..Hα-helixtrans-61.9-40.9178.6-68.4176.6000112.6L34 I39 G87 M88 V89 G93 Q94 K95 C96 F118L34-L91 HydrophobicContact CD1-CD2 3.76Å; L34-L91 HydrophobicContact CD2-CD2 3.89Å; L34-L91 HydrophobicContact CG-CD2 4.42Å; I39-L91 HydrophobicContact CD1-CD1 3.86Å; I39-L91 HydrophobicContact CD1-CD2 4.06Å; I39-L91 HydrophobicContact CD1-CG 3.8Å; G87-L91 WeakPolarHBondContact O-CG 3.04Å; G87-L91 PolarHBondContact O-N 3.22Å; M88-L91 HydrophobicContact CE-CD1 4.45Å; M88-L91 PolarHBondContact O-N 3.09Å; M88-L91 HydrophobicContact SD-CD1 3.8Å; V89-L91 PolarHBondContact O-N 3.33Å; L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 3.08Å; L91-Q94 CarbonylContact O-C 3.53Å; L91-Q94 WeakPolarHBondContact O-CA 3.42Å; L91-Q94 PolarHBondContact O-N 2.9Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; L91-K95 PolarHBondContact O-N 3.11Å; L91-C96 HydrophobicContact CB-CB 4.32Å; L91-C96 HydrophobicContact CD2-CB 4.24Å; L91-C96 WeakPolarHBondContact O-CB 3.26Å; L91-C96 PolarHBondContact O-N 3Å; L91-F118 HydrophobicContact CD1-CE1 3.74Å; L91-F118 HydrophobicContact CD1-CZ 4.17Å; L91-F118 HydrophobicContact CD2-CE1 3.66Å; L91-F118 HydrophobicContact CD2-CZ 4.19Å; L91-F118 HydrophobicContact CG-CE1 4.37Å
92S96.1Very high96Very high29 Ų2925.5 Ų25.520%0.20313%0.134CC..Hα-helixtrans-59.5-43.5175.5171.90000111.2M88 V89 Y90 Q94 K95 Q150M88-S92 VanDerWaalsContact O-CB 3.25Å; M88-S92 WeakPolarHBondContact O-CB 3.35Å; M88-S92 PolarHBondContact O-N 2.83Å; V89-S92 PolarHBondContact O-N 2.85Å; Y90-S92 VanDerWaalsContact C-N 3.34Å; Y90-S92 PolarHBondContact O-N 3.16Å; S92-Q94 VanDerWaalsContact C-N 3.29Å; S92-Q94 PolarHBondContact O-N 3.35Å; S92-K95 WeakPolarHBondContact O-CA 3.47Å; S92-K95 PolarHBondContact O-N 2.91Å; S92-Q150 PolarHBondContact O-NE2 2.93Å; S92-Q150 VanDerWaalsContact OG-CD 3.32Å; S92-Q150 PolarHBondContact OG-NE2 3.41Å; S92-Q150 PolarHBondContact OG-OE1 2.85Å
93G95.7Very high95.8Very high60 Ų6025.2 Ų25.262%0.61913%0.133SC*.Hα-helixtrans-63.8-30.6173.700000113.9V89 Y90 L91 K95V89-G93 PolarHBondContact O-N 3.17Å; Y90-G93 PolarHBondContact O-N 3.09Å; L91-G93 VanDerWaalsContact C-N 3.32Å; L91-G93 PolarHBondContact O-N 3.08Å; G93-K95 PolarHBondContact O-N 3Å
94Q93.9Very high95.4Very high97 Ų9728.2 Ų28.245%0.45314%0.143SC..THydrogen-bonded Turntrans-79.97.5172.4-62.2-56.5-53.800113.6L34 Y90 L91 S92 C96L34-Q94 HydrophobicContact CD2-CB 4.39Å; L34-Q94 HydrophobicContact CD2-CG 4.16Å; Y90-Q94 HydrophobicContact CD1-CG 4.46Å; Y90-Q94 HydrophobicContact CE1-CG 4.01Å; Y90-Q94 HydrophobicContact CE2-CG 4.09Å; Y90-Q94 WeakPolarHBondContact O-CG 3.4Å; Y90-Q94 PolarHBondContact O-N 3.5Å; L91-Q94 CarbonylContact O-C 3.53Å; L91-Q94 WeakPolarHBondContact O-CA 3.42Å; L91-Q94 PolarHBondContact O-N 2.9Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; S92-Q94 VanDerWaalsContact C-N 3.29Å; S92-Q94 PolarHBondContact O-N 3.35Å; Q94-C96 HydrophobicContact CB-CB 4.29Å; Q94-C96 PolarHBondContact O-N 2.86Å; Q94-C96 VanDerWaalsContact O-N 3.15Å
95K93.2Very high95.1Very high108 Ų10828.8 Ų28.847%0.4715%0.147SC..THydrogen-bonded Turntrans48.938.2-171.5-57-168.1178.7-154.10112.1L91 S92 G93 T123 G124 E125L91-K95 PolarHBondContact O-N 3.11Å; S92-K95 WeakPolarHBondContact O-CA 3.47Å; S92-K95 PolarHBondContact O-N 2.91Å; G93-K95 PolarHBondContact O-N 3Å; K95-T123 CarbonylContact O-C 3.56Å; K95-T123 WeakPolarHBondContact O-CA 3.25Å; K95-G124 PolarHBondContact O-N 3Å; K95-E125 IonicContact NZ-OE1 3.06Å; K95-E125 PolarHBondContact NZ-OE1 2.98Å
96C92.7Very high94.9Very high7 Ų728.8 Ų28.85%0.04715%0.147CC..EExtended strand (participates in β ladder)trans-104.4117.3-178.8-173.90000109.4L91 Q94L91-C96 HydrophobicContact CB-CB 4.32Å; L91-C96 HydrophobicContact CD2-CB 4.24Å; L91-C96 WeakPolarHBondContact O-CB 3.26Å; L91-C96 PolarHBondContact O-N 3Å; Q94-C96 HydrophobicContact CB-CB 4.29Å; Q94-C96 PolarHBondContact O-N 2.86Å; Q94-C96 VanDerWaalsContact O-N 3.15Å
97I94.1Very high94.6Very high1 Ų125.6 Ų25.61%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-92.4119.4172.4-50.4165.4000107.3R99 A121 R122 G124 T149 Q150 D153I97-R99 HydrophobicContact CB-CG 4.17Å; I97-R99 HydrophobicContact CG2-CG 3.53Å; I97-A121 CarbonylContact O-C 3.54Å; I97-A121 WeakPolarHBondContact O-CA 3.44Å; I97-A121 VanDerWaalsContact O-CB 3.26Å; I97-A121 WeakPolarHBondContact O-CB 3.36Å; I97-R122 PolarHBondContact N-O 3.38Å; I97-R122 PolarHBondContact O-N 2.97Å; I97-G124 WeakPolarHBondContact CD1-O 3.24Å; I97-G124 WeakPolarHBondContact CG1-O 3.34Å; I97-T149 WeakPolarHBondContact CG2-O 3.43Å; I97-Q150 HydrophobicContact CG1-CG 4.42Å; I97-D153 WeakPolarHBondContact CA-OD2 3.42Å; I97-D153 WeakPolarHBondContact CG2-OD2 3.32Å
98H94.2Very high94.3Very high0 Ų025.9 Ų25.90%014%0.137CC..  trans-68.1-46-177.1-165.6-76.7000112M88 D100 L101 I115 G116 D117 F118 M120 A121 D153M88-H98 HydrophobicContact CE-CB 4.27Å; H98-D100 PolarHBondContact CE1-O 2.86Å; H98-D100 PolarHBondContact ND1-N 3.22Å; H98-D100 PolarHBondContact ND1-O 3.08Å; H98-D100 PolarHBondContact O-N 3.04Å; H98-L101 HydrophobicContact CB-CB 4.49Å; H98-L101 PolarHBondContact ND1-N 3.44Å; H98-L101 VanDerWaalsContact ND1-N 3.17Å; H98-I115 WeakPolarHBondContact NE2-CG2 3.37Å; H98-G116 PolarHBondContact CE1-O 2.7Å; H98-G116 PolarHBondContact NE2-O 3.21Å; H98-D117 PolarHBondContact CE1-O 3.06Å; H98-D117 PolarHBondContact NE2-O 3.44Å; H98-F118 AromaticContact CD2-CE1 3.72Å; H98-M120 CarbonylContact O-C 3.49Å; H98-A121 VanDerWaalsContact O-CA 3.32Å; H98-A121 WeakPolarHBondContact O-CA 3.38Å; H98-A121 PolarHBondContact O-N 3.46Å; H98-D153 PolarHBondContact N-OD2 3.28Å
99R92.7Very high93.9Very high18 Ų1829.7 Ų29.77%0.06815%0.154CC..SBendtrans65.1-10.8179.5-55.3-167.4-59.5161.19.1117I97 M120 Y127 M148 D153I97-R99 HydrophobicContact CB-CG 4.17Å; I97-R99 HydrophobicContact CG2-CG 3.53Å; R99-M120 HydrophobicContact CB-CB 4.37Å; R99-M120 PolarHBondContact NE-O 2.77Å; R99-M120 PolarHBondContact NH2-O 3.09Å; R99-Y127 VanDerWaalsContact NH1-CG 3.35Å; R99-Y127 PolarHBondContact NH1-OH 3.38Å; R99-M148 HydrophobicContact CB-CE 3.71Å; R99-M148 HydrophobicContact CG-CB 4.21Å; R99-M148 HydrophobicContact CG-CE 3.88Å; R99-D153 PolarHBondContact N-OD1 2.99Å
100D91.9Very high93.5Very high17 Ų1734.7 Ų34.79%0.09118%0.179CC..  trans-136.940.8176.3-163.123.7000112H98 A102 R104 N105 M120 P138H98-D100 PolarHBondContact CE1-O 2.86Å; H98-D100 PolarHBondContact ND1-N 3.22Å; H98-D100 PolarHBondContact ND1-O 3.08Å; H98-D100 PolarHBondContact O-N 3.04Å; D100-A102 PolarHBondContact O-N 3.25Å; D100-R104 IonicContact OD1-CZ 2.69Å; D100-R104 IonicContact OD1-NH2 3.45Å; D100-R104 PolarHBondContact OD1-NH2 2.91Å; D100-R104 IonicContact OD2-NH2 2.83Å; D100-N105 PolarHBondContact O-ND2 3.31Å; D100-N105 PolarHBondContact OD2-ND2 2.84Å; D100-M120 HydrophobicContact CB-CB 4.03Å; D100-M120 HydrophobicContact CB-CG 4.32Å; D100-M120 HydrophobicContact CB-SD 3.89Å; D100-P138 WeakPolarHBondContact OD1-CB 3.34Å; D100-P138 VanDerWaalsContact OD1-CG 3.32Å; D100-P138 WeakPolarHBondContact OD1-CG 3.45Å
101L95.6Very high93.2Very high1 Ų139.2 Ų39.21%0.00520%0.196CC..  trans-73.4120.2-179.6-178.467000110M88 H98 I115 A156 F157 L160M88-L101 HydrophobicContact CE-CD2 4.04Å; M88-L101 HydrophobicContact CG-CD2 4Å; M88-L101 HydrophobicContact SD-CD1 4Å; M88-L101 HydrophobicContact SD-CD2 3.79Å; M88-L101 HydrophobicContact SD-CG 4.46Å; H98-L101 HydrophobicContact CB-CB 4.49Å; H98-L101 PolarHBondContact ND1-N 3.44Å; H98-L101 VanDerWaalsContact ND1-N 3.17Å; L101-I115 HydrophobicContact CD1-CD1 4.17Å; L101-I115 HydrophobicContact CD1-CG1 4.48Å; L101-I115 HydrophobicContact CD1-CG2 3.99Å; L101-A156 HydrophobicContact CB-CB 3.96Å; L101-F157 HydrophobicContact CD2-CB 3.72Å; L101-F157 HydrophobicContact CD2-CD2 4.19Å; L101-F157 HydrophobicContact CD2-CG 4.48Å; L101-L160 HydrophobicContact CD1-CD2 4.02Å; L101-L160 HydrophobicContact CD2-CD2 4.45Å; L101-L160 HydrophobicContact CG-CD2 4.18Å
102A93.9Very high93.1Very high0 Ų040.8 Ų40.80%021%0.207CC..SBendtrans-163.8164.4-179.700000110.5D100 R104 N105 C106 W141D100-A102 PolarHBondContact O-N 3.25Å; A102-R104 HydrophobicContact CB-CG 4.03Å; A102-R104 PolarHBondContact O-N 3.34Å; A102-N105 PolarHBondContact O-N 3.49Å; A102-C106 PolarHBondContact O-N 3.21Å; A102-C106 PolarHBondContact O-SG 3.3Å; A102-C106 VanDerWaalsContact O-SG 3.39Å; A102-W141 HydrophobicContact CB-CD2 4.14Å; A102-W141 HydrophobicContact CB-CG 4.15Å; A102-W141 HydrophobicContact CB-CZ2 4.31Å
103A93.1Very high93.1Very high0 Ų039.4 Ų39.40%020%0.197CC..G310 helixtrans-61.3-33.1179.100000112.7L61 L62 N105 C106 L160 E163L61-A103 HydrophobicContact CD2-CB 4.21Å; L62-A103 HydrophobicContact CD2-CB 3.58Å; L62-A103 HydrophobicContact CG-CB 4.36Å; A103-N105 PolarHBondContact O-N 3.01Å; A103-C106 PolarHBondContact O-N 3.04Å; A103-C106 VanDerWaalsContact O-N 3.11Å; A103-L160 HydrophobicContact CB-CD1 3.84Å; A103-E163 HydrophobicContact CB-CB 3.88Å; A103-E163 HydrophobicContact CB-CG 4.35Å; A103-E163 PolarHBondContact N-OE2 3.09Å
104R90.9Very high93.1Very high81 Ų8138 Ų3831%0.30617%0.174SC..G310 helixtrans-59.8-27.8174.468.7174.3172.7-74.7-8.4114L62 D100 A102 W141L62-R104 HydrophobicContact CD1-CB 3.62Å; L62-R104 HydrophobicContact CG-CB 4.38Å; D100-R104 IonicContact OD1-CZ 2.69Å; D100-R104 IonicContact OD1-NH2 3.45Å; D100-R104 PolarHBondContact OD1-NH2 2.91Å; D100-R104 IonicContact OD2-NH2 2.83Å; A102-R104 HydrophobicContact CB-CG 4.03Å; A102-R104 PolarHBondContact O-N 3.34Å; R104-W141 VanDerWaalsContact NH1-CZ3 3.26Å
105N92.4Very high93.2Very high13 Ų1333.3 Ų33.37%0.0715%0.152CC..G310 helixtrans-99.94.9-177.8-68.8-19000111.6D100 A102 A103 G116 D117D100-N105 PolarHBondContact O-ND2 3.31Å; D100-N105 PolarHBondContact OD2-ND2 2.84Å; A102-N105 PolarHBondContact O-N 3.49Å; A103-N105 PolarHBondContact O-N 3.01Å; N105-G116 CarbonylContact O-C 3.41Å; N105-G116 VanDerWaalsContact O-C 3.25Å; N105-G116 VanDerWaalsContact O-CA 3.27Å; N105-G116 WeakPolarHBondContact O-CA 3.47Å; N105-G116 PolarHBondContact O-N 3.31Å; N105-G116 VanDerWaalsContact O-O 3.1Å; N105-D117 HydrophobicContact CB-CB 3.89Å
106C94.3Very high93.1Very high0 Ų028.3 Ų28.30%013%0.131CC..EExtended strand (participates in β ladder)trans-99143.5170.9-65.10000110.2L61 A102 A103 L113L61-C106 HydrophobicContact CB-CB 3.78Å; L61-C106 VanDerWaalsContact CB-O 3.25Å; L61-C106 WeakPolarHBondContact CB-O 3.4Å; L61-C106 HydrophobicContact CD2-CB 3.52Å; L61-C106 HydrophobicContact CG-CB 4.29Å; L61-C106 PolarHBondContact N-O 3.48Å; A102-C106 PolarHBondContact O-N 3.21Å; A102-C106 PolarHBondContact O-SG 3.3Å; A102-C106 VanDerWaalsContact O-SG 3.39Å; A103-C106 PolarHBondContact O-N 3.04Å; A103-C106 VanDerWaalsContact O-N 3.11Å; C106-L113 HydrophobicContact CB-CD1 4.36Å; C106-L113 HydrophobicContact CB-CD2 4.36Å; C106-L113 HydrophobicContact CB-CG 4.27Å
107L92.6Very high92.7Very high22 Ų2230.1 Ų30.112%0.11514%0.14CC..EExtended strand (participates in β ladder)trans-121.2161.5176.5-59.5-178.7000109.6V40 L56 L58 V59 A60 L113 K114V40-L107 HydrophobicContact CG1-CD1 4.42Å; V40-L107 HydrophobicContact CG2-CB 4.26Å; V40-L107 HydrophobicContact CG2-CD1 3.74Å; V40-L107 HydrophobicContact CG2-CG 4.21Å; L56-L107 HydrophobicContact CD1-CD1 3.65Å; L58-L107 HydrophobicContact CB-CB 3.74Å; L58-L107 HydrophobicContact CB-CD1 4.02Å; L58-L107 HydrophobicContact CB-CG 4.4Å; L58-L107 HydrophobicContact CD1-CB 3.71Å; L58-L107 HydrophobicContact CD1-CD1 3.56Å; L58-L107 HydrophobicContact CD1-CG 4.28Å; L58-L107 HydrophobicContact CG-CB 4.28Å; L58-L107 HydrophobicContact CG-CD1 4.39Å; V59-L107 CarbonylContact O-C 3.25Å; V59-L107 VanDerWaalsContact O-CA 3.25Å; V59-L107 WeakPolarHBondContact O-CA 3.49Å; A60-L107 HydrophobicContact CB-CD2 4.46Å; L107-L113 CarbonylContact O-C 3.32Å; L107-L113 WeakPolarHBondContact O-CA 3.17Å; L107-K114 PolarHBondContact N-O 2.91Å; L107-K114 PolarHBondContact O-N 3.47Å
108I92.3Very high92.4Very high5 Ų530 Ų303%0.02614%0.14CC..EExtended strand (participates in β ladder)trans-138141.8-178.9-164.7172.9000111.5V59 L61 Y64 L80 C112V59-I108 HydrophobicContact CB-CG2 4.1Å; V59-I108 PolarHBondContact N-O 2.89Å; V59-I108 PolarHBondContact O-N 2.91Å; L61-I108 HydrophobicContact CD1-CD1 4.43Å; Y64-I108 HydrophobicContact CD1-CD1 3.56Å; Y64-I108 HydrophobicContact CD2-CD1 4.01Å; Y64-I108 HydrophobicContact CD2-CG2 4.06Å; Y64-I108 HydrophobicContact CE1-CD1 3.54Å; Y64-I108 HydrophobicContact CE2-CD1 4.02Å; Y64-I108 HydrophobicContact CG-CD1 3.79Å; Y64-I108 HydrophobicContact CG-CG2 3.84Å; L80-I108 HydrophobicContact CD2-CD1 3.63Å; I108-C112 WeakPolarHBondContact CA-O 3.44Å; I108-C112 WeakPolarHBondContact CG1-O 3.49Å
109K89.9Confident91.8Very high81 Ų8130.2 Ų30.235%0.35214%0.141SC..EExtended strand (participates in β ladder)trans-147.6134.8168163.7172.5-177.4175.90109.5I57 L58 R111 C112I57-K109 WeakPolarHBondContact O-CD 3.37Å; L58-K109 HydrophobicContact CD2-CB 3.35Å; L58-K109 HydrophobicContact CD2-CD 4.17Å; L58-K109 HydrophobicContact CD2-CG 4.36Å; K109-R111 PolarHBondContact O-N 3.28Å; K109-C112 PolarHBondContact N-O 2.76Å; K109-C112 WeakPolarHBondContact O-CA 3.46Å; K109-C112 WeakPolarHBondContact O-CB 3.41Å; K109-C112 PolarHBondContact O-N 2.98Å
110D89.7Confident91.2Very high142 Ų14230.2 Ų30.276%0.75914%0.142SC*.THydrogen-bonded Turntrans51.741.8179.2-50.6-37.2000112.1C112D110-C112 PolarHBondContact O-N 2.79Å; D110-C112 VanDerWaalsContact O-N 3.1Å
111R90.9Very high90.9Very high141 Ų14129.4 Ų29.453%0.53214%0.138SC..THydrogen-bonded Turntrans58.316.2-174.1-54.6-175.3177.6-157.5-6.5115E76 H83 K109E76-R111 IonicContact OE1-CZ 2.97Å; E76-R111 IonicContact OE1-NH1 3.3Å; E76-R111 PolarHBondContact OE1-NH1 3.13Å; E76-R111 IonicContact OE1-NH2 3.97Å; H83-R111 PolarHBondContact CE1-O 2.79Å; H83-R111 VanDerWaalsContact CE1-O 3.27Å; K109-R111 PolarHBondContact O-N 3.28Å
112C94.9Very high90.5Very high33 Ų3333.7 Ų33.722%0.22315%0.154CC..EExtended strand (participates in β ladder)trans-99.9117.6173.4-174.50000110.1I108 K109 D110I108-C112 WeakPolarHBondContact CA-O 3.44Å; I108-C112 WeakPolarHBondContact CG1-O 3.49Å; K109-C112 PolarHBondContact N-O 2.76Å; K109-C112 WeakPolarHBondContact O-CA 3.46Å; K109-C112 WeakPolarHBondContact O-CB 3.41Å; K109-C112 PolarHBondContact O-N 2.98Å; D110-C112 PolarHBondContact O-N 2.79Å; D110-C112 VanDerWaalsContact O-N 3.1Å
113L96.7Very high90.1Very high0 Ų038.8 Ų38.80%019%0.186CC..EExtended strand (participates in β ladder)trans-80.5138.7177.8-179.5158.5000109.6N38 L61 L80 H83 A84 C106 L107 I115 I164N38-L113 WeakPolarHBondContact CA-O 3.34Å; N38-L113 PolarHBondContact ND2-O 3.34Å; L61-L113 HydrophobicContact CD1-CD1 4.07Å; L61-L113 HydrophobicContact CD2-CD1 3.54Å; L61-L113 HydrophobicContact CD2-CG 4.46Å; L61-L113 HydrophobicContact CG-CD1 4.43Å; L80-L113 HydrophobicContact CB-CD1 4.07Å; L80-L113 HydrophobicContact CD2-CB 4.01Å; L80-L113 HydrophobicContact CD2-CD1 4.49Å; H83-L113 HydrophobicContact CB-CB 3.8Å; H83-L113 PolarHBondContact ND1-N 3.32Å; A84-L113 HydrophobicContact CB-CD1 4.39Å; A84-L113 HydrophobicContact CB-CD2 3.76Å; C106-L113 HydrophobicContact CB-CD1 4.36Å; C106-L113 HydrophobicContact CB-CD2 4.36Å; C106-L113 HydrophobicContact CB-CG 4.27Å; L107-L113 CarbonylContact O-C 3.32Å; L107-L113 WeakPolarHBondContact O-CA 3.17Å; L113-I115 HydrophobicContact CD2-CG1 4.24Å; L113-I164 HydrophobicContact CD1-CD1 4.28Å
114K96Very high89.8Confident30 Ų3040 Ų4013%0.1320%0.198CC..EExtended strand (participates in β ladder)trans-131.3128.9178.1-64.6177.2-177.6-72.80110.3P37 N38 V40 L58 L107P37-K114 PolarHBondContact O-NZ 3Å; N38-K114 CarbonylContact O-C 3.54Å; N38-K114 WeakPolarHBondContact O-CA 3.37Å; V40-K114 HydrophobicContact CG2-CB 3.81Å; L58-K114 HydrophobicContact CD1-CD 3.92Å; L58-K114 HydrophobicContact CD2-CD 3.63Å; L58-K114 HydrophobicContact CG-CD 4.49Å; L107-K114 PolarHBondContact N-O 2.91Å; L107-K114 PolarHBondContact O-N 3.47Å
115I95.6Very high89.4Confident0 Ų041.8 Ų41.80%021%0.21CC..EExtended strand (participates in β ladder)trans-78.1128.3175.8-55.1177.7000109N38 I39 V40 A84 M88 H98 L101 L113 F118N38-I115 PolarHBondContact O-N 3.35Å; I39-I115 HydrophobicContact CD1-CB 3.94Å; I39-I115 HydrophobicContact CD1-CD1 4.4Å; I39-I115 HydrophobicContact CD1-CG1 4.49Å; V40-I115 VanDerWaalsContact CG2-O 3.31Å; V40-I115 WeakPolarHBondContact CG2-O 3.49Å; V40-I115 PolarHBondContact N-O 3.4Å; A84-I115 WeakPolarHBondContact O-CD1 3.48Å; M88-I115 HydrophobicContact CG-CD1 3.64Å; M88-I115 HydrophobicContact SD-CD1 3.5Å; M88-I115 WeakPolarHBondContact SD-CD1 3.49Å; H98-I115 WeakPolarHBondContact NE2-CG2 3.37Å; L101-I115 HydrophobicContact CD1-CD1 4.17Å; L101-I115 HydrophobicContact CD1-CG1 4.48Å; L101-I115 HydrophobicContact CD1-CG2 3.99Å; L113-I115 HydrophobicContact CD2-CG1 4.24Å; I115-F118 HydrophobicContact CG2-CZ 4.34Å
116G90.7Very high88.9Confident2 Ų246.8 Ų46.82%0.02124%0.235CC..  trans-130.3-168.8179.400000111.9H98 N105H98-G116 PolarHBondContact CE1-O 2.7Å; H98-G116 PolarHBondContact NE2-O 3.21Å; N105-G116 CarbonylContact O-C 3.41Å; N105-G116 VanDerWaalsContact O-C 3.25Å; N105-G116 VanDerWaalsContact O-CA 3.27Å; N105-G116 WeakPolarHBondContact O-CA 3.47Å; N105-G116 PolarHBondContact O-N 3.31Å; N105-G116 VanDerWaalsContact O-O 3.1Å
117D85.4Confident88.3Confident45 Ų4550 Ų5024%0.24125%0.248CC..  trans51.179.8-173-154.6-24.3000114.3K14 H98 N105 G119K14-D117 IonicContact NZ-OD1 2.7Å; K14-D117 PolarHBondContact NZ-OD1 3.34Å; K14-D117 IonicContact NZ-OD2 3.32Å; K14-D117 PolarHBondContact NZ-OD2 2.88Å; H98-D117 PolarHBondContact CE1-O 3.06Å; H98-D117 PolarHBondContact NE2-O 3.44Å; N105-D117 HydrophobicContact CB-CB 3.89Å; D117-G119 VanDerWaalsContact C-N 3.28Å; D117-G119 PolarHBondContact OD1-N 3.33Å
118F86.5Confident87.7Confident0 Ų056.2 Ų56.20%027%0.274CS..  trans-90.18.9175.5-66-92.8000111.2E27 R30 L31 L34 I39 L91 H98 I115 M120 A121E27-F118 HydrophobicContact CG-CB 4.18Å; E27-F118 PolarHBondContact OE1-N 3.15Å; R30-F118 PolarHBondContact NH1-O 3.5Å; R30-F118 PolarHBondContact NH2-O 3.43Å; L31-F118 HydrophobicContact CD2-CD2 3.26Å; L31-F118 HydrophobicContact CD2-CE2 3.51Å; L31-F118 HydrophobicContact CD2-CG 4.26Å; L31-F118 HydrophobicContact CG-CD2 3.89Å; L34-F118 HydrophobicContact CD1-CD1 3.88Å; L34-F118 HydrophobicContact CD1-CE1 3.62Å; L34-F118 HydrophobicContact CD1-CE2 4.36Å; L34-F118 HydrophobicContact CD1-CG 4.37Å; L34-F118 HydrophobicContact CD1-CZ 3.89Å; I39-F118 HydrophobicContact CD1-CZ 4.25Å; I39-F118 HydrophobicContact CG2-CE2 3.95Å; I39-F118 HydrophobicContact CG2-CZ 3.74Å; L91-F118 HydrophobicContact CD1-CE1 3.74Å; L91-F118 HydrophobicContact CD1-CZ 4.17Å; L91-F118 HydrophobicContact CD2-CE1 3.66Å; L91-F118 HydrophobicContact CD2-CZ 4.19Å; L91-F118 HydrophobicContact CG-CE1 4.37Å; H98-F118 AromaticContact CD2-CE1 3.72Å; I115-F118 HydrophobicContact CG2-CZ 4.34Å; F118-M120 PolarHBondContact O-N 3.3Å; F118-A121 HydrophobicContact CB-CB 4.13Å; F118-A121 HydrophobicContact CD1-CB 3.81Å; F118-A121 HydrophobicContact CG-CB 4.47Å; F118-A121 PolarHBondContact O-N 2.85Å
119G80.8Confident86.8Confident3 Ų358 Ų583%0.03128%0.283CS..THydrogen-bonded Turntrans-49.6-36.2-177.300000112.8R30 D117R30-G119 PolarHBondContact NH2-O 3.02Å; D117-G119 VanDerWaalsContact C-N 3.28Å; D117-G119 PolarHBondContact OD1-N 3.33Å
120M81.1Confident85.8Confident18 Ų1857.8 Ų57.89%0.08929%0.289CS..THydrogen-bonded Turntrans-93.6-7.4175.7-63.3-173.266.100115.2H98 R99 D100 F118 L137H98-M120 CarbonylContact O-C 3.49Å; R99-M120 HydrophobicContact CB-CB 4.37Å; R99-M120 PolarHBondContact NE-O 2.77Å; R99-M120 PolarHBondContact NH2-O 3.09Å; D100-M120 HydrophobicContact CB-CB 4.03Å; D100-M120 HydrophobicContact CB-CG 4.32Å; D100-M120 HydrophobicContact CB-SD 3.89Å; F118-M120 PolarHBondContact O-N 3.3Å; M120-L137 HydrophobicContact CE-CD2 4.16Å
121A85.9Confident84.5Confident0 Ų057.6 Ų57.60%029%0.293CS..  trans-65.1160.7-176.500000114R30 I97 H98 F118R30-A121 VanDerWaalsContact NH1-N 3.15Å; R30-A121 PolarHBondContact NH1-O 2.91Å; I97-A121 CarbonylContact O-C 3.54Å; I97-A121 WeakPolarHBondContact O-CA 3.44Å; I97-A121 VanDerWaalsContact O-CB 3.26Å; I97-A121 WeakPolarHBondContact O-CB 3.36Å; H98-A121 VanDerWaalsContact O-CA 3.32Å; H98-A121 WeakPolarHBondContact O-CA 3.38Å; H98-A121 PolarHBondContact O-N 3.46Å; F118-A121 HydrophobicContact CB-CB 4.13Å; F118-A121 HydrophobicContact CD1-CB 3.81Å; F118-A121 HydrophobicContact CG-CB 4.47Å; F118-A121 PolarHBondContact O-N 2.85Å
122R86.5Confident82.8Confident92 Ų9257.8 Ų57.835%0.34730%0.304SS..EExtended strand (participates in β ladder)trans-143.6143.4174.7-69.2-65.8-179.9-93.96.8110.3I97 Y127I97-R122 PolarHBondContact N-O 3.38Å; I97-R122 PolarHBondContact O-N 2.97Å; R122-Y127 HydrophobicContact CG-CD2 4.19Å
123T86.6Confident81.2Confident107 Ų10759.5 Ų59.566%0.65631%0.311SS*.EExtended strand (participates in β ladder)trans-83.3135.6168.8-52.60000109K95K95-T123 CarbonylContact O-C 3.56Å; K95-T123 WeakPolarHBondContact O-CA 3.25Å
124G86.1Confident79.6Confident26 Ų2670.2 Ų70.227%0.26836%0.357SS..SBendtrans131.6176.3-176.500000111.8K95 I97K95-G124 PolarHBondContact O-N 3Å; I97-G124 WeakPolarHBondContact CD1-O 3.24Å; I97-G124 WeakPolarHBondContact CG1-O 3.34Å
125E82.5Confident78.3Confident117 Ų11772.8 Ų72.855%0.54737%0.366SS..SBendtrans-99.8-30.8-174.8-67.1175.9-178.500112.4K95K95-E125 IonicContact NZ-OE1 3.06Å; K95-E125 PolarHBondContact NZ-OE1 2.98Å
126I82.8Confident77.2Confident118 Ų11880.6 Ų80.661%0.60541%0.406SS*.EExtended strand (participates in β ladder)trans-135.1132-178-54.3175.9000109.7L147 T149I126-L147 HydrophobicContact CG2-CD2 4.24Å; I126-T149 HydrophobicContact CG1-CG2 4.21Å; I126-T149 HydrophobicContact CG2-CG2 4.42Å
127Y81.3Confident76.6Confident67 Ų6782.7 Ų82.726%0.26342%0.417SS..EExtended strand (participates in β ladder)trans-126.3115.4168.3176.8-86.5000109.5R99 R122 M129 M148R99-Y127 VanDerWaalsContact NH1-CG 3.35Å; R99-Y127 PolarHBondContact NH1-OH 3.38Å; R122-Y127 HydrophobicContact CG-CD2 4.19Å; Y127-M129 HydrophobicContact CD1-CG 4.39Å; Y127-M129 HydrophobicContact CE1-CG 4.22Å; Y127-M148 HydrophobicContact CD1-CB 4.09Å; Y127-M148 HydrophobicContact CD1-CG 4.22Å; Y127-M148 PolarHBondContact N-O 2.88Å; Y127-M148 WeakPolarHBondContact O-CB 3.49Å; Y127-M148 PolarHBondContact O-N 2.94Å
128K79.1Confident76.5Confident153 Ų15381.2 Ų81.267%0.66541%0.41SS*.EExtended strand (participates in β ladder)trans-79.1123.2172.8-172.4174-178.7177.50109.4T130 L147K128-T130 PolarHBondContact O-N 3.12Å; K128-L147 HydrophobicContact CB-CD2 4.14Å; K128-L147 HydrophobicContact CG-CD2 4.16Å
129M73.9Confident76.2Confident42 Ų4286.3 Ų86.321%0.20744%0.441CS..PPolyproline II helixtrans-66.2122.2171.5-65.7-163.8-81.700109.4Y127 L137 I142 M148Y127-M129 HydrophobicContact CD1-CG 4.39Å; Y127-M129 HydrophobicContact CE1-CG 4.22Å; M129-L137 HydrophobicContact SD-CD1 3.94Å; M129-L137 HydrophobicContact SD-CD2 4.49Å; M129-I142 HydrophobicContact CE-CG2 3.88Å; M129-M148 HydrophobicContact CE-CG 4.2Å; M129-M148 HydrophobicContact CE-SD 3.92Å; M129-M148 HydrophobicContact CG-CG 3.59Å; M129-M148 HydrophobicContact CG-SD 4.46Å; M129-M148 HydrophobicContact SD-CG 3.85Å; M129-M148 HydrophobicContact SD-SD 3.96Å
130T68.5Low76.3Confident78 Ų7890.2 Ų90.248%0.47946%0.457SS..PPolyproline II helixtrans-80.9143.7173.254.70000109.3K128 N132 L133K128-T130 PolarHBondContact O-N 3.12Å; T130-N132 PolarHBondContact O-N 2.81Å; T130-L133 VanDerWaalsContact O-CD2 3.26Å; T130-L133 WeakPolarHBondContact O-CD2 3.43Å; T130-L133 WeakPolarHBondContact O-CG 3.25Å
131T62Low76.6Confident138 Ų13890.9 Ų90.985%0.84746%0.458SS*.SBendtrans-66.5-20.617847.30000113.9L133T131-L133 PolarHBondContact O-N 3.32Å
132N56.8Low76.7Confident145 Ų14592 Ų9278%0.77546%0.464SS*.  trans-78.754.7177-71.4-19.3000112.8T130 K134T130-N132 PolarHBondContact O-N 2.81Å; N132-K134 PolarHBondContact O-N 3.07Å; N132-K134 VanDerWaalsContact O-N 3.16Å
133L60.3Low76.8Confident69 Ų6988 Ų8836%0.36145%0.45SS..  trans-82.397.1179.4-58.9170.9000109.5T130 T131 R135 L137T130-L133 VanDerWaalsContact O-CD2 3.26Å; T130-L133 WeakPolarHBondContact O-CD2 3.43Å; T130-L133 WeakPolarHBondContact O-CG 3.25Å; T131-L133 PolarHBondContact O-N 3.32Å; L133-R135 PolarHBondContact O-N 3.39Å; L133-R135 VanDerWaalsContact O-N 3.14Å; L133-L137 HydrophobicContact CD1-CD1 3.31Å; L133-L137 HydrophobicContact CD1-CD2 4.03Å; L133-L137 HydrophobicContact CD1-CG 3.65Å
134K64.4Low76.7Confident224 Ų22486.9 Ų86.997%0.97444%0.444SS*.  trans-64.3-5.4161.5-68.1-173.4177-176.40112.7N132N132-K134 PolarHBondContact O-N 3.07Å; N132-K134 VanDerWaalsContact O-N 3.16Å
135R66.9Low76.7Confident85 Ų8587.1 Ų87.132%0.32144%0.44SS..SBendtrans-114.3133.8-170.8-159.1179-166.8141.410.1110.7E23 L133 L137E23-R135 IonicContact OE1-NH1 3.36Å; E23-R135 PolarHBondContact OE1-NH1 2.97Å; E23-R135 IonicContact OE2-CZ 2.67Å; E23-R135 IonicContact OE2-NH1 3.04Å; E23-R135 PolarHBondContact OE2-NH1 3.4Å; E23-R135 IonicContact OE2-NH2 2.79Å; E23-R135 PolarHBondContact OE2-NH2 3.37Å; L133-R135 PolarHBondContact O-N 3.39Å; L133-R135 VanDerWaalsContact O-N 3.14Å; R135-L137 PolarHBondContact O-N 3.48Å
136I73.5Confident76.4Confident163 Ų16386.4 Ų86.484%0.83644%0.443SS*.  trans-63.8123172.8-60.8171.1000108.5
137L77.6Confident76.6Confident46 Ų4684.3 Ų84.324%0.24143%0.433CS..  trans-85.9147177.4-72-175.2000112.1M120 M129 L133 R135 V139 I142M120-L137 HydrophobicContact CE-CD2 4.16Å; M129-L137 HydrophobicContact SD-CD1 3.94Å; M129-L137 HydrophobicContact SD-CD2 4.49Å; L133-L137 HydrophobicContact CD1-CD1 3.31Å; L133-L137 HydrophobicContact CD1-CD2 4.03Å; L133-L137 HydrophobicContact CD1-CG 3.65Å; R135-L137 PolarHBondContact O-N 3.48Å; L137-V139 HydrophobicContact CB-CG2 4.21Å; L137-V139 PolarHBondContact O-N 3.18Å; L137-I142 HydrophobicContact CB-CD1 3.83Å; L137-I142 HydrophobicContact CD1-CD1 3.97Å; L137-I142 HydrophobicContact CD2-CD1 4.32Å; L137-I142 HydrophobicContact CG-CD1 4.27Å
138P82.8Confident76.9Confident14 Ų1481.5 Ų81.59%0.09142%0.423CS..  trans-7860.317336.4-41.2000111.7D100 K140 W141 I142D100-P138 WeakPolarHBondContact OD1-CB 3.34Å; D100-P138 VanDerWaalsContact OD1-CG 3.32Å; D100-P138 WeakPolarHBondContact OD1-CG 3.45Å; P138-K140 PolarHBondContact O-N 2.92Å; P138-W141 HydrophobicContact CB-CE3 3.99Å; P138-W141 PolarHBondContact O-N 3.44Å; P138-I142 HydrophobicContact CG-CD1 4.09Å; P138-I142 HydrophobicContact CG-CG1 4.11Å
139V81.5Confident77.5Confident108 Ų10875.3 Ų75.366%0.65540%0.397SS*.G310 helixtrans-46.4-37.5-167.7-178.90000113.9L137 W141 I142L137-V139 HydrophobicContact CB-CG2 4.21Å; L137-V139 PolarHBondContact O-N 3.18Å; V139-W141 VanDerWaalsContact C-N 3.25Å; V139-W141 PolarHBondContact O-N 3.46Å; V139-I142 PolarHBondContact O-N 3.17Å
140K82.1Confident78.5Confident84 Ų8475.8 Ų75.837%0.36540%0.399SS..G310 helixtrans-66.6-20.5-179.4-55.3-179.4-179.7-176.50114.9P138P138-K140 PolarHBondContact O-N 2.92Å
141W88.2Confident79.8Confident32 Ų3274.1 Ų74.112%0.12139%0.385CS..G310 helixtrans-104.4-3.4179.6-65.8-100.6000112.5A102 R104 P138 V139 A156 V159 E163 L173A102-W141 HydrophobicContact CB-CD2 4.14Å; A102-W141 HydrophobicContact CB-CG 4.15Å; A102-W141 HydrophobicContact CB-CZ2 4.31Å; R104-W141 VanDerWaalsContact NH1-CZ3 3.26Å; P138-W141 HydrophobicContact CB-CE3 3.99Å; P138-W141 PolarHBondContact O-N 3.44Å; V139-W141 VanDerWaalsContact C-N 3.25Å; V139-W141 PolarHBondContact O-N 3.46Å; W141-A156 HydrophobicContact CB-CB 4.31Å; W141-A156 WeakPolarHBondContact O-CB 3.25Å; W141-V159 VanDerWaalsContact CD1-CG1 3.42Å; W141-V159 HydrophobicContact CD2-CG1 4.5Å; W141-V159 HydrophobicContact CG-CB 4.43Å; W141-V159 HydrophobicContact CG-CG1 4.09Å; W141-E163 VanDerWaalsContact CZ2-OE1 3.32Å; W141-E163 WeakPolarHBondContact CZ2-OE1 3.48Å; W141-E163 PolarHBondContact NE1-OE2 3.31Å; W141-L173 HydrophobicContact CH2-CD1 4.44Å; W141-L173 HydrophobicContact CZ2-CD1 4.09Å
142I87.5Confident81.4Confident24 Ų2467.6 Ų67.612%0.12335%0.345CS..SBendtrans-92.1133.8180-60.4177.4000108.1M129 L137 P138 V139 M148M129-I142 HydrophobicContact CE-CG2 3.88Å; L137-I142 HydrophobicContact CB-CD1 3.83Å; L137-I142 HydrophobicContact CD1-CD1 3.97Å; L137-I142 HydrophobicContact CD2-CD1 4.32Å; L137-I142 HydrophobicContact CG-CD1 4.27Å; P138-I142 HydrophobicContact CG-CD1 4.09Å; P138-I142 HydrophobicContact CG-CG1 4.11Å; V139-I142 PolarHBondContact O-N 3.17Å; I142-M148 HydrophobicContact CG2-SD 4.21Å
143P88.8Confident83.3Confident7 Ų760.7 Ų60.75%0.04531%0.309CS..  trans-66.7166.4173.533.9-40.6000111.5D145 W155P143-D145 WeakPolarHBondContact CB-OD2 3.46Å; P143-D145 VanDerWaalsContact CG-OD2 3.26Å; P143-D145 WeakPolarHBondContact CG-OD2 3.49Å; P143-D145 PolarHBondContact O-N 3.47Å; P143-W155 HydrophobicContact CB-CB 3.91Å; P143-W155 HydrophobicContact CB-CD2 3.59Å; P143-W155 HydrophobicContact CB-CE3 3.81Å; P143-W155 HydrophobicContact CB-CG 3.64Å; P143-W155 HydrophobicContact CG-CB 4.36Å; P143-W155 HydrophobicContact CG-CG 4.43Å
144P85.3Confident85.1Confident84 Ų8457.5 Ų57.555%0.54529%0.292SS..SBendtrans-65.7-18.1178.125.8-34.9000114.1W155P144-W155 HydrophobicContact CG-CH2 4.42Å
145D84.2Confident86.6Confident32 Ų3248 Ų4817%0.17125%0.25CC..SBendtrans-76.1150.4176.760.996.7000113.1P143 P203 R206P143-D145 WeakPolarHBondContact CB-OD2 3.46Å; P143-D145 VanDerWaalsContact CG-OD2 3.26Å; P143-D145 WeakPolarHBondContact CG-OD2 3.49Å; P143-D145 PolarHBondContact O-N 3.47Å; D145-P203 HydrophobicContact CB-CG 4.08Å; D145-R206 IonicContact OD2-CZ 2.65Å; D145-R206 VanDerWaalsContact OD2-CZ 3.32Å; D145-R206 IonicContact OD2-NH1 3.89Å; D145-R206 PolarHBondContact OD2-NH1 2.97Å; D145-R206 IonicContact OD2-NH2 3.52Å; D145-R206 PolarHBondContact OD2-NH2 3.47Å
146T76.9Confident88Confident101 Ų10144.1 Ų44.162%0.6224%0.236SC*.SBendtrans-88.1-6.9-17257.20000114.3
147L86.5Confident89.2Confident74 Ų7436.4 Ų36.439%0.38720%0.196SC..EExtended strand (participates in β ladder)trans-101.5114.9-175.4-65.6178.4000110.5I126 K128 T149I126-L147 HydrophobicContact CG2-CD2 4.24Å; K128-L147 HydrophobicContact CB-CD2 4.14Å; K128-L147 HydrophobicContact CG-CD2 4.16Å; L147-T149 HydrophobicContact CB-CG2 4.37Å; L147-T149 PolarHBondContact O-N 2.84Å
148M87.7Confident90Very high9 Ų934.2 Ų34.24%0.04419%0.185CC..EExtended strand (participates in β ladder)trans-77.7120.7173.1-60.3-62.8-71.300109.1R99 Y127 M129 I142 S152R99-M148 HydrophobicContact CB-CE 3.71Å; R99-M148 HydrophobicContact CG-CB 4.21Å; R99-M148 HydrophobicContact CG-CE 3.88Å; Y127-M148 HydrophobicContact CD1-CB 4.09Å; Y127-M148 HydrophobicContact CD1-CG 4.22Å; Y127-M148 PolarHBondContact N-O 2.88Å; Y127-M148 WeakPolarHBondContact O-CB 3.49Å; Y127-M148 PolarHBondContact O-N 2.94Å; M129-M148 HydrophobicContact CE-CG 4.2Å; M129-M148 HydrophobicContact CE-SD 3.92Å; M129-M148 HydrophobicContact CG-CG 3.59Å; M129-M148 HydrophobicContact CG-SD 4.46Å; M129-M148 HydrophobicContact SD-CG 3.85Å; M129-M148 HydrophobicContact SD-SD 3.96Å; I142-M148 HydrophobicContact CG2-SD 4.21Å; M148-S152 WeakPolarHBondContact CA-OG 3.5Å
149T93Very high90.6Very high22 Ų2233.6 Ų33.614%0.13518%0.181CC..EExtended strand (participates in β ladder)trans-142.7179.6-178.563.70000108.6I97 I126 L147 K151 S152 D153I97-T149 WeakPolarHBondContact CG2-O 3.43Å; I126-T149 HydrophobicContact CG1-CG2 4.21Å; I126-T149 HydrophobicContact CG2-CG2 4.42Å; L147-T149 HydrophobicContact CB-CG2 4.37Å; L147-T149 PolarHBondContact O-N 2.84Å; T149-K151 PolarHBondContact O-N 3.17Å; T149-K151 VanDerWaalsContact O-N 3.14Å; T149-K151 WeakPolarHBondContact OG1-CB 3.4Å; T149-K151 PolarHBondContact OG1-N 3.36Å; T149-K151 VanDerWaalsContact OG1-N 3.09Å; T149-S152 PolarHBondContact N-OG 2.96Å; T149-S152 PolarHBondContact O-N 3.46Å; T149-S152 PolarHBondContact O-OG 3.42Å; T149-S152 PolarHBondContact OG1-N 2.82Å; T149-D153 PolarHBondContact O-N 3.04Å
150Q94.2Very high91.3Very high53 Ų5328.5 Ų28.525%0.24815%0.15CC..Hα-helixtrans-57.8-27.1168.5-61.3-174.6-6.800112.2S92 I97 D153 V154S92-Q150 PolarHBondContact O-NE2 2.93Å; S92-Q150 VanDerWaalsContact OG-CD 3.32Å; S92-Q150 PolarHBondContact OG-NE2 3.41Å; S92-Q150 PolarHBondContact OG-OE1 2.85Å; I97-Q150 HydrophobicContact CG1-CG 4.42Å; Q150-D153 PolarHBondContact O-N 3.39Å; Q150-V154 WeakPolarHBondContact O-CG2 3.45Å; Q150-V154 PolarHBondContact O-N 2.79Å
151K96.1Very high92Very high42 Ų4224.5 Ų24.518%0.18313%0.132CC..Hα-helixtrans-73.9-25.4176.4-58.4-62.6-170.2169.40113.2T149 W155 P203 R206 P207T149-K151 PolarHBondContact O-N 3.17Å; T149-K151 VanDerWaalsContact O-N 3.14Å; T149-K151 WeakPolarHBondContact OG1-CB 3.4Å; T149-K151 PolarHBondContact OG1-N 3.36Å; T149-K151 VanDerWaalsContact OG1-N 3.09Å; K151-W155 PolarHBondContact O-N 3.25Å; K151-P203 HydrophobicContact CB-CB 4.04Å; K151-P203 VanDerWaalsContact CD-O 3.29Å; K151-P203 WeakPolarHBondContact CD-O 3.49Å; K151-P203 VanDerWaalsContact CG-O 3.3Å; K151-P203 WeakPolarHBondContact CG-O 3.38Å; K151-R206 HydrophobicContact CD-CB 4.29Å; K151-R206 PolarHBondContact NZ-O 2.74Å; K151-R206 WeakPolarHBondContact O-CD 3.27Å; K151-R206 PolarHBondContact O-NH1 3.14Å; K151-R206 VanDerWaalsContact O-NH1 3.15Å; K151-P207 PolarHBondContact NZ-O 2.8Å
152S95.2Very high92.2Very high1 Ų123.6 Ų23.61%0.00713%0.129CC..Hα-helixtrans-73.1-34.6169.164.90000111.4M148 T149 V154 W155 A156M148-S152 WeakPolarHBondContact CA-OG 3.5Å; T149-S152 PolarHBondContact N-OG 2.96Å; T149-S152 PolarHBondContact O-N 3.46Å; T149-S152 PolarHBondContact O-OG 3.42Å; T149-S152 PolarHBondContact OG1-N 2.82Å; S152-V154 VanDerWaalsContact C-N 3.32Å; S152-W155 WeakPolarHBondContact O-CB 3.38Å; S152-W155 PolarHBondContact O-N 3.3Å; S152-A156 PolarHBondContact O-N 3.48Å; S152-A156 VanDerWaalsContact O-N 3.09Å
153D97.1Very high92.5Very high1 Ų122.8 Ų22.81%0.00513%0.125CC..Hα-helixtrans-67.6-32.6172.3-72.7-20.7000112.1M88 I97 H98 R99 T149 Q150 W155 A156 F157 F209M88-D153 HydrophobicContact CE-CB 3.71Å; I97-D153 WeakPolarHBondContact CA-OD2 3.42Å; I97-D153 WeakPolarHBondContact CG2-OD2 3.32Å; H98-D153 PolarHBondContact N-OD2 3.28Å; R99-D153 PolarHBondContact N-OD1 2.99Å; T149-D153 PolarHBondContact O-N 3.04Å; Q150-D153 PolarHBondContact O-N 3.39Å; D153-W155 VanDerWaalsContact C-N 3.33Å; D153-A156 PolarHBondContact O-N 3.02Å; D153-F157 VanDerWaalsContact O-CB 3.32Å; D153-F157 WeakPolarHBondContact O-CB 3.5Å; D153-F157 PolarHBondContact O-N 3.45Å; D153-F209 HydrophobicContact CB-CE2 3.99Å; D153-F209 HydrophobicContact CB-CZ 3.88Å
154V97.9Very high92.8Very high1 Ų122.5 Ų22.51%0.00612%0.123CC..Hα-helixtrans-61.7-41.3172.9169.10000111.1Q150 S152 F157 G158 C198 R206 P207 F209 L212Q150-V154 WeakPolarHBondContact O-CG2 3.45Å; Q150-V154 PolarHBondContact O-N 2.79Å; S152-V154 VanDerWaalsContact C-N 3.32Å; V154-F157 WeakPolarHBondContact O-CB 3.36Å; V154-F157 PolarHBondContact O-N 2.92Å; V154-G158 PolarHBondContact O-N 3.31Å; V154-C198 HydrophobicContact CG1-CB 4.12Å; V154-C198 WeakPolarHBondContact O-CB 3.32Å; V154-R206 HydrophobicContact CG1-CB 3.96Å; V154-P207 HydrophobicContact CG1-CG 4.35Å; V154-F209 HydrophobicContact CB-CZ 4.35Å; V154-F209 HydrophobicContact CG2-CD1 4.26Å; V154-F209 HydrophobicContact CG2-CD2 4.09Å; V154-F209 HydrophobicContact CG2-CE1 3.93Å; V154-F209 HydrophobicContact CG2-CE2 3.75Å; V154-F209 HydrophobicContact CG2-CG 4.34Å; V154-F209 HydrophobicContact CG2-CZ 3.66Å; V154-L212 HydrophobicContact CG1-CD1 4.06Å; V154-L212 HydrophobicContact CG2-CD1 4.46Å
155W95.9Very high93.2Very high25 Ų2518.9 Ų18.910%0.09510%0.098CC..Hα-helixtrans-59.9-51.6173177.7-76.7000111.5P143 P144 K151 S152 D153 F157 G158 V159 C198 W199P143-W155 HydrophobicContact CB-CB 3.91Å; P143-W155 HydrophobicContact CB-CD2 3.59Å; P143-W155 HydrophobicContact CB-CE3 3.81Å; P143-W155 HydrophobicContact CB-CG 3.64Å; P143-W155 HydrophobicContact CG-CB 4.36Å; P143-W155 HydrophobicContact CG-CG 4.43Å; P144-W155 HydrophobicContact CG-CH2 4.42Å; K151-W155 PolarHBondContact O-N 3.25Å; S152-W155 WeakPolarHBondContact O-CB 3.38Å; S152-W155 PolarHBondContact O-N 3.3Å; D153-W155 VanDerWaalsContact C-N 3.33Å; W155-F157 PolarHBondContact O-N 2.64Å; W155-G158 WeakPolarHBondContact O-CA 3.48Å; W155-G158 PolarHBondContact O-N 3.43Å; W155-V159 PolarHBondContact O-N 3.39Å; W155-V159 VanDerWaalsContact O-N 3.13Å; W155-C198 WeakPolarHBondContact CA-O 3.38Å; W155-W199 AromaticContact CD2-CD1 3.73Å; W155-W199 AromaticContact CE2-CD1 3.93Å; W155-W199 HydrophobicContact CE3-CB 4.21Å; W155-W199 AromaticContact CE3-CD1 3.98Å; W155-W199 HydrophobicContact CE3-CG 4.5Å; W155-W199 HydrophobicContact CH2-CB 4.31Å; W155-W199 HydrophobicContact CZ3-CB 3.97Å; W155-W199 PolarHBondContact O-NE1 3.38Å
156A95.8Very high93.5Very high4 Ų418.1 Ų18.13%0.03310%0.095CC..Hα-helixtrans-58.9-34.517800000111.9L101 W141 S152 D153 V159 L160L101-A156 HydrophobicContact CB-CB 3.96Å; W141-A156 HydrophobicContact CB-CB 4.31Å; W141-A156 WeakPolarHBondContact O-CB 3.25Å; S152-A156 PolarHBondContact O-N 3.48Å; S152-A156 VanDerWaalsContact O-N 3.09Å; D153-A156 PolarHBondContact O-N 3.02Å; A156-V159 WeakPolarHBondContact O-CB 3.33Å; A156-V159 PolarHBondContact O-N 3.49Å; A156-L160 PolarHBondContact O-N 2.68Å
157F98Very high94.2Very high1 Ų114.3 Ų14.30%0.0047%0.07CC..Hα-helixtrans-64.7-41.2173.6178.4-99.6000112I81 A84 V85 M88 L101 D153 V154 W155 V159 L160 M161 F209 L212 L216I81-F157 HydrophobicContact CG2-CZ 3.81Å; A84-F157 HydrophobicContact CB-CE2 3.86Å; V85-F157 HydrophobicContact CB-CE1 4.43Å; V85-F157 HydrophobicContact CB-CE2 3.93Å; V85-F157 HydrophobicContact CB-CZ 3.62Å; V85-F157 HydrophobicContact CG2-CE1 4.37Å; V85-F157 HydrophobicContact CG2-CE2 4.47Å; V85-F157 HydrophobicContact CG2-CZ 4.01Å; M88-F157 HydrophobicContact CG-CD2 4.4Å; L101-F157 HydrophobicContact CD2-CB 3.72Å; L101-F157 HydrophobicContact CD2-CD2 4.19Å; L101-F157 HydrophobicContact CD2-CG 4.48Å; D153-F157 VanDerWaalsContact O-CB 3.32Å; D153-F157 WeakPolarHBondContact O-CB 3.5Å; D153-F157 PolarHBondContact O-N 3.45Å; V154-F157 WeakPolarHBondContact O-CB 3.36Å; V154-F157 PolarHBondContact O-N 2.92Å; W155-F157 PolarHBondContact O-N 2.64Å; F157-V159 VanDerWaalsContact C-N 3.29Å; F157-V159 PolarHBondContact O-N 3.26Å; F157-L160 HydrophobicContact CD2-CD2 4.37Å; F157-L160 WeakPolarHBondContact O-CB 3.44Å; F157-L160 PolarHBondContact O-N 2.96Å; F157-L160 VanDerWaalsContact O-N 3.15Å; F157-M161 HydrophobicContact CD1-CG 4.23Å; F157-M161 HydrophobicContact CD1-SD 3.85Å; F157-M161 HydrophobicContact CE1-CG 3.83Å; F157-M161 HydrophobicContact CE1-SD 3.43Å; F157-M161 WeakPolarHBondContact CE1-SD 3.19Å; F157-M161 HydrophobicContact CZ-CG 4.03Å; F157-M161 HydrophobicContact CZ-SD 4.16Å; F157-M161 WeakPolarHBondContact O-CG 3.45Å; F157-M161 PolarHBondContact O-N 3.29Å; F157-F209 HydrophobicContact CB-CE1 3.79Å; F157-F209 HydrophobicContact CB-CZ 4.3Å; F157-F209 HydrophobicContact CD1-CE1 4.32Å; F157-F209 HydrophobicContact CD2-CE1 4.29Å; F157-F209 AromaticContact CG-CE1 3.88Å; F157-F209 HydrophobicContact CG-CE1 3.88Å; F157-L212 HydrophobicContact CD1-CD1 3.98Å; F157-L212 HydrophobicContact CE1-CD1 4.19Å; F157-L216 HydrophobicContact CE1-CD1 3.89Å; F157-L216 HydrophobicContact CZ-CD1 3.75Å
158G96.3Very high93.9Very high0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-57.4-42170.900000112.3V154 W155 M161 W162 W199V154-G158 PolarHBondContact O-N 3.31Å; W155-G158 WeakPolarHBondContact O-CA 3.48Å; W155-G158 PolarHBondContact O-N 3.43Å; G158-M161 WeakPolarHBondContact O-CB 3.31Å; G158-M161 PolarHBondContact O-N 3.44Å; G158-W162 PolarHBondContact O-N 3.32Å; G158-W162 VanDerWaalsContact O-N 3.1Å; G158-W199 VanDerWaalsContact O-CZ2 3.25Å; G158-W199 WeakPolarHBondContact O-CZ2 3.49Å
159V94.1Very high93.1Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-64.8-41.8174.4-173.60000111.3W141 W155 A156 F157 M161 W162 E163 L181 W199W141-V159 VanDerWaalsContact CD1-CG1 3.42Å; W141-V159 HydrophobicContact CD2-CG1 4.5Å; W141-V159 HydrophobicContact CG-CB 4.43Å; W141-V159 HydrophobicContact CG-CG1 4.09Å; W155-V159 PolarHBondContact O-N 3.39Å; W155-V159 VanDerWaalsContact O-N 3.13Å; A156-V159 WeakPolarHBondContact O-CB 3.33Å; A156-V159 PolarHBondContact O-N 3.49Å; F157-V159 VanDerWaalsContact C-N 3.29Å; F157-V159 PolarHBondContact O-N 3.26Å; V159-M161 PolarHBondContact O-N 3.09Å; V159-W162 WeakPolarHBondContact O-CB 3.3Å; V159-W162 PolarHBondContact O-N 3.37Å; V159-W162 VanDerWaalsContact O-N 3.15Å; V159-E163 WeakPolarHBondContact O-CG 3.47Å; V159-E163 PolarHBondContact O-N 2.97Å; V159-L181 HydrophobicContact CG1-CD1 4.33Å; V159-L181 HydrophobicContact CG2-CD1 3.86Å; V159-W199 HydrophobicContact CG2-CZ2 4.49Å
160L95.8Very high91.5Very high1 Ų119.1 Ų19.11%0.00510%0.097CC..Hα-helixtrans-59.9-42.5174.4171.863.6000112.2L61 A84 L101 A103 A156 F157 W162 E163 I164L61-L160 HydrophobicContact CD2-CD1 4.35Å; A84-L160 HydrophobicContact CB-CD2 3.93Å; L101-L160 HydrophobicContact CD1-CD2 4.02Å; L101-L160 HydrophobicContact CD2-CD2 4.45Å; L101-L160 HydrophobicContact CG-CD2 4.18Å; A103-L160 HydrophobicContact CB-CD1 3.84Å; A156-L160 PolarHBondContact O-N 2.68Å; F157-L160 HydrophobicContact CD2-CD2 4.37Å; F157-L160 WeakPolarHBondContact O-CB 3.44Å; F157-L160 PolarHBondContact O-N 2.96Å; F157-L160 VanDerWaalsContact O-N 3.15Å; L160-W162 VanDerWaalsContact C-N 3.27Å; L160-W162 PolarHBondContact O-N 3.2Å; L160-E163 WeakPolarHBondContact O-CB 3.43Å; L160-E163 PolarHBondContact O-N 3.33Å; L160-I164 HydrophobicContact CD1-CD1 3.97Å; L160-I164 HydrophobicContact CD1-CG1 4.19Å; L160-I164 HydrophobicContact CG-CD1 4Å; L160-I164 WeakPolarHBondContact O-CG1 3.09Å; L160-I164 PolarHBondContact O-N 3.04Å
161M96.6Very high89.7Confident0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-58.2-44.1174.8-66.2170.264.500110.9I81 F157 G158 V159 I164 Y165 V191 I194 M195 L216I81-M161 HydrophobicContact CD1-CB 4.01Å; I81-M161 HydrophobicContact CD1-CG 4.11Å; I81-M161 HydrophobicContact CG1-CB 4.44Å; I81-M161 HydrophobicContact CG1-CG 4.19Å; I81-M161 HydrophobicContact CG2-CE 4.38Å; I81-M161 HydrophobicContact CG2-CG 3.77Å; I81-M161 HydrophobicContact CG2-SD 4.42Å; F157-M161 HydrophobicContact CD1-CG 4.23Å; F157-M161 HydrophobicContact CD1-SD 3.85Å; F157-M161 HydrophobicContact CE1-CG 3.83Å; F157-M161 HydrophobicContact CE1-SD 3.43Å; F157-M161 WeakPolarHBondContact CE1-SD 3.19Å; F157-M161 HydrophobicContact CZ-CG 4.03Å; F157-M161 HydrophobicContact CZ-SD 4.16Å; F157-M161 WeakPolarHBondContact O-CG 3.45Å; F157-M161 PolarHBondContact O-N 3.29Å; G158-M161 WeakPolarHBondContact O-CB 3.31Å; G158-M161 PolarHBondContact O-N 3.44Å; V159-M161 PolarHBondContact O-N 3.09Å; M161-I164 PolarHBondContact O-N 3.14Å; M161-Y165 WeakPolarHBondContact O-CD2 3.25Å; M161-Y165 PolarHBondContact O-N 3.15Å; M161-V191 HydrophobicContact CE-CG1 3.58Å; M161-I194 HydrophobicContact CE-CB 4.4Å; M161-I194 HydrophobicContact CE-CG2 4.06Å; M161-M195 HydrophobicContact CB-CE 3.67Å; M161-M195 HydrophobicContact CE-CB 3.99Å; M161-M195 HydrophobicContact CE-CE 4.37Å; M161-L216 HydrophobicContact CE-CD2 4.1Å
162W93.8Very high87.7Confident13 Ų1324.9 Ų24.95%0.04913%0.13CC..Hα-helixtrans-62.9-42.4176.8-173.9106.9000111.4G158 V159 L160 I164 Y165 T166 F172 L173 L181 T182 P184 M195 W199G158-W162 PolarHBondContact O-N 3.32Å; G158-W162 VanDerWaalsContact O-N 3.1Å; V159-W162 WeakPolarHBondContact O-CB 3.3Å; V159-W162 PolarHBondContact O-N 3.37Å; V159-W162 VanDerWaalsContact O-N 3.15Å; L160-W162 VanDerWaalsContact C-N 3.27Å; L160-W162 PolarHBondContact O-N 3.2Å; W162-I164 VanDerWaalsContact C-N 3.31Å; W162-I164 PolarHBondContact O-N 3Å; W162-Y165 PolarHBondContact O-N 3.28Å; W162-T166 HydrophobicContact CD2-CG2 3.99Å; W162-T166 HydrophobicContact CE3-CG2 4Å; W162-T166 HydrophobicContact CH2-CG2 3.94Å; W162-T166 HydrophobicContact CZ2-CG2 3.93Å; W162-T166 HydrophobicContact CZ3-CG2 3.91Å; W162-T166 VanDerWaalsContact CZ3-OG1 3.3Å; W162-T166 WeakPolarHBondContact CZ3-OG1 3.4Å; W162-T166 WeakPolarHBondContact O-CB 3.33Å; W162-T166 WeakPolarHBondContact O-CG2 3.42Å; W162-T166 PolarHBondContact O-N 3.26Å; W162-T166 PolarHBondContact O-OG1 3.02Å; W162-F172 HydrophobicContact CH2-CB 3.22Å; W162-F172 HydrophobicContact CH2-CG 4.43Å; W162-F172 HydrophobicContact CZ2-CB 3.59Å; W162-F172 HydrophobicContact CZ3-CB 4.36Å; W162-L173 HydrophobicContact CD2-CD2 4.4Å; W162-L173 HydrophobicContact CE3-CD2 3.77Å; W162-L173 HydrophobicContact CE3-CG 4.18Å; W162-L173 HydrophobicContact CH2-CB 4.5Å; W162-L173 HydrophobicContact CH2-CD2 3.72Å; W162-L173 HydrophobicContact CH2-CG 3.74Å; W162-L173 HydrophobicContact CZ2-CD2 4.37Å; W162-L173 HydrophobicContact CZ3-CD1 4.25Å; W162-L173 HydrophobicContact CZ3-CD2 3.46Å; W162-L173 VanDerWaalsContact CZ3-CD2 3.46Å; W162-L173 HydrophobicContact CZ3-CG 3.44Å; W162-L173 VanDerWaalsContact CZ3-CG 3.44Å; W162-L181 HydrophobicContact CD2-CD2 4.35Å; W162-L181 HydrophobicContact CZ2-CD2 4.27Å; W162-T182 VanDerWaalsContact CD1-O 3.29Å; W162-T182 PolarHBondContact NE1-O 3.2Å; W162-P184 VanDerWaalsContact CD1-CD 3.47Å; W162-P184 HydrophobicContact CD2-CG 4.47Å; W162-P184 HydrophobicContact CG-CG 4.19Å; W162-M195 HydrophobicContact CB-CE 4.21Å; W162-M195 HydrophobicContact CB-SD 4.05Å; W162-W199 HydrophobicContact CB-CH2 4.08Å; W162-W199 HydrophobicContact CB-CZ2 4.16Å; W162-W199 AromaticContact CD1-CH2 3.87Å; W162-W199 HydrophobicContact CG-CH2 4.29Å
163E93.1Very high85.9Confident8 Ų825.3 Ų25.34%0.03713%0.132CC..Hα-helixtrans-61.1-40.8176.1-71.5-178.910400111.3A103 W141 V159 L160 T166 N167 A168 L173A103-E163 HydrophobicContact CB-CB 3.88Å; A103-E163 HydrophobicContact CB-CG 4.35Å; A103-E163 PolarHBondContact N-OE2 3.09Å; W141-E163 VanDerWaalsContact CZ2-OE1 3.32Å; W141-E163 WeakPolarHBondContact CZ2-OE1 3.48Å; W141-E163 PolarHBondContact NE1-OE2 3.31Å; V159-E163 WeakPolarHBondContact O-CG 3.47Å; V159-E163 PolarHBondContact O-N 2.97Å; L160-E163 WeakPolarHBondContact O-CB 3.43Å; L160-E163 PolarHBondContact O-N 3.33Å; E163-T166 PolarHBondContact O-N 3.23Å; E163-T166 PolarHBondContact O-OG1 3.13Å; E163-N167 PolarHBondContact O-N 3.01Å; E163-A168 PolarHBondContact O-N 3.27Å; E163-L173 HydrophobicContact CG-CD1 4.43Å
164I95.2Very high83.8Confident0 Ų033.8 Ų33.80%016%0.164CC..Hα-helixtrans-65-48.6178.8-69.3167.4000110.7L61 L65 H77 L80 I81 L113 L160 M161 W162 T166 N167L61-I164 HydrophobicContact CD2-CD1 4.46Å; L61-I164 HydrophobicContact CD2-CG1 4.25Å; L65-I164 HydrophobicContact CD1-CG1 4.37Å; L65-I164 HydrophobicContact CD2-CG2 4.44Å; H77-I164 HydrophobicContact CB-CG2 3.89Å; H77-I164 PolarHBondContact CD2-O 3.47Å; H77-I164 PolarHBondContact NE2-O 3.29Å; L80-I164 HydrophobicContact CB-CD1 4.34Å; L80-I164 HydrophobicContact CB-CG2 4.35Å; L80-I164 HydrophobicContact CD1-CG2 4.38Å; I81-I164 HydrophobicContact CD1-CB 4.38Å; I81-I164 HydrophobicContact CD1-CG2 4.23Å; I81-I164 HydrophobicContact CG1-CB 4.24Å; I81-I164 HydrophobicContact CG1-CD1 3.62Å; I81-I164 HydrophobicContact CG1-CG2 4.11Å; L113-I164 HydrophobicContact CD1-CD1 4.28Å; L160-I164 HydrophobicContact CD1-CD1 3.97Å; L160-I164 HydrophobicContact CD1-CG1 4.19Å; L160-I164 HydrophobicContact CG-CD1 4Å; L160-I164 WeakPolarHBondContact O-CG1 3.09Å; L160-I164 PolarHBondContact O-N 3.04Å; M161-I164 PolarHBondContact O-N 3.14Å; W162-I164 VanDerWaalsContact C-N 3.31Å; W162-I164 PolarHBondContact O-N 3Å; I164-T166 VanDerWaalsContact C-N 3.25Å; I164-T166 PolarHBondContact O-N 2.8Å; I164-N167 PolarHBondContact O-N 3.4Å; I164-N167 VanDerWaalsContact O-N 3.12Å
165Y93.6Very high81.5Confident9 Ų937.5 Ų37.54%0.03520%0.195CC..Hα-helixtrans-68.6-21.2-179.8-88.9-74.1000114.4H77 I81 M161 W162 T187 P188 V191 M195H77-Y165 HydrophobicContact CB-CD1 4.13Å; H77-Y165 HydrophobicContact CB-CE1 3.86Å; H77-Y165 HydrophobicContact CB-CE2 4.49Å; I81-Y165 HydrophobicContact CD1-CD2 3.68Å; I81-Y165 HydrophobicContact CD1-CE2 3.31Å; M161-Y165 WeakPolarHBondContact O-CD2 3.25Å; M161-Y165 PolarHBondContact O-N 3.15Å; W162-Y165 PolarHBondContact O-N 3.28Å; Y165-T187 HydrophobicContact CD1-CG2 4.39Å; Y165-T187 HydrophobicContact CD2-CG2 4Å; Y165-T187 HydrophobicContact CE1-CG2 4.32Å; Y165-T187 HydrophobicContact CE2-CG2 3.91Å; Y165-T187 HydrophobicContact CG-CG2 4.24Å; Y165-P188 WeakPolarHBondContact OH-CD 3.47Å; Y165-V191 HydrophobicContact CE2-CG1 3.64Å; Y165-M195 HydrophobicContact CD2-CE 4.36Å
166T91Very high79.5Confident16 Ų1638.1 Ų38.110%0.09820%0.201CC..THydrogen-bonded Turntrans-95.87174.955.90000113W162 E163 I164 A168 L169 P184W162-T166 HydrophobicContact CD2-CG2 3.99Å; W162-T166 HydrophobicContact CE3-CG2 4Å; W162-T166 HydrophobicContact CH2-CG2 3.94Å; W162-T166 HydrophobicContact CZ2-CG2 3.93Å; W162-T166 HydrophobicContact CZ3-CG2 3.91Å; W162-T166 VanDerWaalsContact CZ3-OG1 3.3Å; W162-T166 WeakPolarHBondContact CZ3-OG1 3.4Å; W162-T166 WeakPolarHBondContact O-CB 3.33Å; W162-T166 WeakPolarHBondContact O-CG2 3.42Å; W162-T166 PolarHBondContact O-N 3.26Å; W162-T166 PolarHBondContact O-OG1 3.02Å; E163-T166 PolarHBondContact O-N 3.23Å; E163-T166 PolarHBondContact O-OG1 3.13Å; I164-T166 VanDerWaalsContact C-N 3.25Å; I164-T166 PolarHBondContact O-N 2.8Å; T166-A168 PolarHBondContact O-N 2.87Å; T166-A168 VanDerWaalsContact O-N 3.14Å; T166-L169 WeakPolarHBondContact O-CB 3.29Å; T166-L169 VanDerWaalsContact O-CG 3.27Å; T166-L169 WeakPolarHBondContact O-CG 3.3Å; T166-L169 PolarHBondContact O-N 3.15Å; T166-P184 HydrophobicContact CG2-CB 4.03Å; T166-P184 HydrophobicContact CG2-CG 3.47Å; T166-P184 VanDerWaalsContact CG2-CG 3.47Å
167N90.2Very high77.4Confident20 Ų2044.5 Ų44.511%0.10723%0.234CC..THydrogen-bonded Turntrans50.434.8-173.4-61.6-51.9000113.1L65 A69 H77 E163 I164 L169L65-N167 HydrophobicContact CB-CB 4.37Å; A69-N167 WeakPolarHBondContact CA-ND2 3.07Å; A69-N167 HydrophobicContact CB-CB 3.85Å; A69-N167 PolarHBondContact O-ND2 3.15Å; A69-N167 VanDerWaalsContact O-ND2 3.07Å; H77-N167 PolarHBondContact NE2-OD1 3.27Å; E163-N167 PolarHBondContact O-N 3.01Å; I164-N167 PolarHBondContact O-N 3.4Å; I164-N167 VanDerWaalsContact O-N 3.12Å; N167-L169 PolarHBondContact O-N 3.1Å
168A80.6Confident75.4Confident19 Ų1948.2 Ų48.216%0.15727%0.273CS..THydrogen-bonded Turntrans54.330.6-17600000115.2L62 L65 E163 T166 I170L62-A168 HydrophobicContact CD2-CB 3.31Å; L65-A168 HydrophobicContact CD1-CB 4.18Å; E163-A168 PolarHBondContact O-N 3.27Å; T166-A168 PolarHBondContact O-N 2.87Å; T166-A168 VanDerWaalsContact O-N 3.14Å; A168-I170 PolarHBondContact O-N 3.4Å
169L72.3Confident73.9Confident90 Ų9054.1 Ų54.147%0.47131%0.305SS..  trans-65.786.9170.1-68.5172.5000109.6T166 N167 T171 F172T166-L169 WeakPolarHBondContact O-CB 3.29Å; T166-L169 VanDerWaalsContact O-CG 3.27Å; T166-L169 WeakPolarHBondContact O-CG 3.3Å; T166-L169 PolarHBondContact O-N 3.15Å; N167-L169 PolarHBondContact O-N 3.1Å; L169-T171 PolarHBondContact O-N 2.86Å; L169-F172 HydrophobicContact CB-CD2 3.95Å; L169-F172 HydrophobicContact CB-CE2 4.36Å; L169-F172 HydrophobicContact CD1-CE2 4.37Å; L169-F172 PolarHBondContact O-N 2.81Å
170I58.7Low72.9Confident98 Ų9861.2 Ų61.250%0.50333%0.331SS..THydrogen-bonded Turntrans-52.5-24.6-177.1-99168.7000113.2A168 F172 L173 R174A168-I170 PolarHBondContact O-N 3.4Å; I170-F172 PolarHBondContact O-N 3.05Å; I170-L173 PolarHBondContact O-N 2.86Å; I170-L173 VanDerWaalsContact O-N 3.09Å; I170-R174 PolarHBondContact O-N 2.85Å
171T55.5Low72.2Confident97 Ų9762.3 Ų62.360%0.59534%0.337SS*.Hα-helixtrans-54.2-33.5175.545.50000112L169 R174L169-T171 PolarHBondContact O-N 2.86Å; T171-R174 PolarHBondContact O-N 2.71Å
172F55.7Low71.8Confident118 Ų11867.2 Ų67.252%0.51837%0.367SS..Hα-helixtrans-75.5-32.4178.3-74.4-80.9000113.4W162 L169 I170 R174 A175 V176W162-F172 HydrophobicContact CH2-CB 3.22Å; W162-F172 HydrophobicContact CH2-CG 4.43Å; W162-F172 HydrophobicContact CZ2-CB 3.59Å; W162-F172 HydrophobicContact CZ3-CB 4.36Å; L169-F172 HydrophobicContact CB-CD2 3.95Å; L169-F172 HydrophobicContact CB-CE2 4.36Å; L169-F172 HydrophobicContact CD1-CE2 4.37Å; L169-F172 PolarHBondContact O-N 2.81Å; I170-F172 PolarHBondContact O-N 3.05Å; F172-R174 PolarHBondContact O-N 3.39Å; F172-A175 PolarHBondContact O-N 3.42Å; F172-V176 WeakPolarHBondContact O-CG2 3.5Å
173L56.9Low71.7Confident11 Ų1167.6 Ų67.66%0.05837%0.371CS..Hα-helixtrans-70.1-23.6175.8-73.3176.5000112.3W141 W162 E163 I170 A175 L181W141-L173 HydrophobicContact CH2-CD1 4.44Å; W141-L173 HydrophobicContact CZ2-CD1 4.09Å; W162-L173 HydrophobicContact CD2-CD2 4.4Å; W162-L173 HydrophobicContact CE3-CD2 3.77Å; W162-L173 HydrophobicContact CE3-CG 4.18Å; W162-L173 HydrophobicContact CH2-CB 4.5Å; W162-L173 HydrophobicContact CH2-CD2 3.72Å; W162-L173 HydrophobicContact CH2-CG 3.74Å; W162-L173 HydrophobicContact CZ2-CD2 4.37Å; W162-L173 HydrophobicContact CZ3-CD1 4.25Å; W162-L173 HydrophobicContact CZ3-CD2 3.46Å; W162-L173 VanDerWaalsContact CZ3-CD2 3.46Å; W162-L173 HydrophobicContact CZ3-CG 3.44Å; W162-L173 VanDerWaalsContact CZ3-CG 3.44Å; E163-L173 HydrophobicContact CG-CD1 4.43Å; I170-L173 PolarHBondContact O-N 2.86Å; I170-L173 VanDerWaalsContact O-N 3.09Å; L173-A175 VanDerWaalsContact C-N 3.34Å; L173-L181 HydrophobicContact CD2-CD2 3.94Å
174R52.1Low71.5Confident178 Ų17867.7 Ų67.767%0.67237%0.373SS*.Hα-helixtrans-72.2-28.3179.5-69.1179.8114.6160.31.7112.4I170 T171 F172 V176I170-R174 PolarHBondContact O-N 2.85Å; T171-R174 PolarHBondContact O-N 2.71Å; F172-R174 PolarHBondContact O-N 3.39Å; R174-V176 VanDerWaalsContact C-N 3.26Å; R174-V176 PolarHBondContact O-N 2.86Å
175A49.2Very low71.1Confident80 Ų8073.5 Ų73.566%0.66141%0.41SS*.THydrogen-bonded Turntrans-76.7-1117900000113.8F172 L173F172-A175 PolarHBondContact O-N 3.42Å; L173-A175 VanDerWaalsContact C-N 3.34Å
176V54.7Low70.8Confident37 Ų3777.1 Ų77.122%0.22444%0.437CS..THydrogen-bonded Turntrans-100.64.9-171.2-172.30000112.3F172 R174 G178 N179 L181F172-V176 WeakPolarHBondContact O-CG2 3.5Å; R174-V176 VanDerWaalsContact C-N 3.26Å; R174-V176 PolarHBondContact O-N 2.86Å; V176-G178 PolarHBondContact O-N 3.34Å; V176-N179 WeakPolarHBondContact CG1-O 3.4Å; V176-N179 PolarHBondContact O-N 2.85Å; V176-N179 VanDerWaalsContact O-N 3.12Å; V176-N179 VanDerWaalsContact O-O 3.11Å; V176-L181 HydrophobicContact CB-CD2 4.08Å; V176-L181 HydrophobicContact CG1-CB 4.48Å; V176-L181 HydrophobicContact CG1-CD2 3.7Å; V176-L181 HydrophobicContact CG1-CG 3.83Å; V176-L181 HydrophobicContact CG2-CD2 3.88Å
177L51Low70.9Confident138 Ų13876.6 Ų76.672%0.72343%0.434SS*.THydrogen-bonded Turntrans-63.898.6171.7-75.8166.3000109.7
178G56.6Low71.1Confident79 Ų7976.8 Ų76.881%0.81444%0.436SS*.THydrogen-bonded Turntrans115.4-16.2-179.700000115.2V176V176-G178 PolarHBondContact O-N 3.34Å
179N64.6Low71.7Confident125 Ų12584.2 Ų84.267%0.66847%0.465SS*.SBendtrans-115.5154.9-179.8-71.2-43.8000111.3V176V176-N179 WeakPolarHBondContact CG1-O 3.4Å; V176-N179 PolarHBondContact O-N 2.85Å; V176-N179 VanDerWaalsContact O-N 3.12Å; V176-N179 VanDerWaalsContact O-O 3.11Å
180R73.7Confident72.8Confident148 Ų14883.7 Ų83.756%0.55846%0.46SS*.  trans-66.2141.3170.5-71.9-73-173.5-78.7-1.5109.3T182 D201R180-T182 PolarHBondContact O-N 2.93Å; R180-D201 IonicContact CZ-OD1 3.07Å; R180-D201 VanDerWaalsContact CZ-OD1 3.32Å; R180-D201 IonicContact NE-OD1 3.45Å; R180-D201 PolarHBondContact NE-OD1 3.36Å; R180-D201 VanDerWaalsContact NE-OD1 3.16Å; R180-D201 IonicContact NH2-OD1 2.71Å; R180-D201 PolarHBondContact NH2-OD1 2.7Å; R180-D201 IonicContact NH2-OD2 3.19Å; R180-D201 PolarHBondContact NH2-OD2 3.06Å
181L81.6Confident74.6Confident25 Ų2579 Ų7913%0.13144%0.436CS..  trans-61.1135.9172.4-79.1165.2000109.8V159 W162 L173 V176 W199V159-L181 HydrophobicContact CG1-CD1 4.33Å; V159-L181 HydrophobicContact CG2-CD1 3.86Å; W162-L181 HydrophobicContact CD2-CD2 4.35Å; W162-L181 HydrophobicContact CZ2-CD2 4.27Å; L173-L181 HydrophobicContact CD2-CD2 3.94Å; V176-L181 HydrophobicContact CB-CD2 4.08Å; V176-L181 HydrophobicContact CG1-CB 4.48Å; V176-L181 HydrophobicContact CG1-CD2 3.7Å; V176-L181 HydrophobicContact CG1-CG 3.83Å; V176-L181 HydrophobicContact CG2-CD2 3.88Å; L181-W199 HydrophobicContact CB-CD2 4.48Å; L181-W199 HydrophobicContact CB-CE3 4.16Å; L181-W199 HydrophobicContact CB-CH2 3.6Å; L181-W199 HydrophobicContact CB-CZ2 3.96Å; L181-W199 HydrophobicContact CB-CZ3 3.72Å; L181-W199 HydrophobicContact CD1-CH2 4.23Å; L181-W199 HydrophobicContact CD1-CZ2 3.79Å; L181-W199 HydrophobicContact CG-CH2 4.49Å; L181-W199 WeakPolarHBondContact O-CZ3 3.34Å
182T87.3Confident76.5Confident102 Ų10277.5 Ų77.563%0.62642%0.421SS*.  trans-108.3141.217055.40000109.4W162 R180W162-T182 VanDerWaalsContact CD1-O 3.29Å; W162-T182 PolarHBondContact NE1-O 3.2Å; R180-T182 PolarHBondContact O-N 2.93Å
183P91Very high78.5Confident22 Ų2275.1 Ų75.114%0.14342%0.419CS..  trans-57.6139.3176.2-26.935.3000112K192 M195 L196 W199P183-K192 HydrophobicContact CB-CB 4.04Å; P183-K192 HydrophobicContact CB-CD 4.28Å; P183-K192 HydrophobicContact CB-CG 3.65Å; P183-K192 HydrophobicContact CG-CB 4.18Å; P183-K192 HydrophobicContact CG-CG 4.32Å; P183-M195 HydrophobicContact CB-SD 3.77Å; P183-M195 HydrophobicContact CG-CB 4.49Å; P183-M195 HydrophobicContact CG-SD 3.95Å; P183-L196 HydrophobicContact CG-CD1 4.46Å; P183-L196 HydrophobicContact CG-CD2 4.02Å; P183-L196 HydrophobicContact CG-CG 3.92Å; P183-W199 HydrophobicContact CG-CZ3 4.41Å
184P90Very high80.4Confident10 Ų1074.9 Ų74.97%0.06542%0.418CS..  trans-58.5144.5-179.7-24.534.4000111.7W162 T166 S186 T187 K192W162-P184 VanDerWaalsContact CD1-CD 3.47Å; W162-P184 HydrophobicContact CD2-CG 4.47Å; W162-P184 HydrophobicContact CG-CG 4.19Å; T166-P184 HydrophobicContact CG2-CB 4.03Å; T166-P184 HydrophobicContact CG2-CG 3.47Å; T166-P184 VanDerWaalsContact CG2-CG 3.47Å; P184-S186 PolarHBondContact O-N 3.23Å; P184-S186 VanDerWaalsContact O-N 3.13Å; P184-T187 WeakPolarHBondContact CD-OG1 3.47Å; P184-T187 VanDerWaalsContact O-CB 3.24Å; P184-T187 WeakPolarHBondContact O-CB 3.42Å; P184-T187 PolarHBondContact O-N 3.04Å; P184-T187 PolarHBondContact O-OG1 3.14Å; P184-K192 VanDerWaalsContact O-CE 3.25Å; P184-K192 WeakPolarHBondContact O-CE 3.41Å
185P87.4Confident82.5Confident122 Ų12266.4 Ų66.479%0.79239%0.386SS*.THydrogen-bonded Turntrans-53.5-38.3-175.6-29.635.7000114.4T187 K192P185-T187 PolarHBondContact O-N 2.79Å; P185-K192 PolarHBondContact O-NZ 3.11Å
186S85.8Confident84.7Confident85 Ų8567 Ų6759%0.59438%0.377SS*.THydrogen-bonded Turntrans-71.7-8.1-179.854.60000115.1P184P184-S186 PolarHBondContact O-N 3.23Å; P184-S186 VanDerWaalsContact O-N 3.13Å
187T92.7Very high86.7Confident4 Ų468.5 Ų68.53%0.02538%0.379CS..SBendtrans-72132.4-177.2-500000110.6Y165 P184 P185 V191 K192 M195Y165-T187 HydrophobicContact CD1-CG2 4.39Å; Y165-T187 HydrophobicContact CD2-CG2 4Å; Y165-T187 HydrophobicContact CE1-CG2 4.32Å; Y165-T187 HydrophobicContact CE2-CG2 3.91Å; Y165-T187 HydrophobicContact CG-CG2 4.24Å; P184-T187 WeakPolarHBondContact CD-OG1 3.47Å; P184-T187 VanDerWaalsContact O-CB 3.24Å; P184-T187 WeakPolarHBondContact O-CB 3.42Å; P184-T187 PolarHBondContact O-N 3.04Å; P184-T187 PolarHBondContact O-OG1 3.14Å; P185-T187 PolarHBondContact O-N 2.79Å; T187-V191 HydrophobicContact CG2-CB 3.77Å; T187-V191 HydrophobicContact CG2-CG1 3.78Å; T187-K192 HydrophobicContact CG2-CG 3.79Å; T187-K192 WeakPolarHBondContact O-CD 3.33Å; T187-K192 WeakPolarHBondContact O-CE 3.35Å; T187-K192 PolarHBondContact O-NZ 3.02Å; T187-M195 HydrophobicContact CG2-CE 4.39Å
188P94.6Very high88.9Confident25 Ų2562 Ų6216%0.16235%0.345CS..  trans-56.4147.4174.5-24.934.3000112.4S74 Y165 E190 V191 K192 L223S74-P188 WeakPolarHBondContact OG-CD 3.33Å; S74-P188 VanDerWaalsContact OG-CG 3.24Å; S74-P188 WeakPolarHBondContact OG-CG 3.41Å; Y165-P188 WeakPolarHBondContact OH-CD 3.47Å; P188-E190 VanDerWaalsContact C-N 3.28Å; P188-E190 PolarHBondContact O-N 3.21Å; P188-V191 HydrophobicContact CB-CB 4.48Å; P188-V191 HydrophobicContact CB-CG2 4.14Å; P188-V191 HydrophobicContact CG-CG2 4.31Å; P188-V191 PolarHBondContact O-N 3.41Å; P188-K192 WeakPolarHBondContact O-CG 3.44Å; P188-K192 PolarHBondContact O-N 3.21Å; P188-L223 HydrophobicContact CG-CD2 4.48Å
189K94.7Very high90.7Very high175 Ų17559.1 Ų59.176%0.76131%0.309SS*.Hα-helixtrans-55.5-43.5-174.2-178.3-178177-177.30112.3V191 K192 S193K189-V191 VanDerWaalsContact C-N 3.32Å; K189-V191 PolarHBondContact O-N 3.21Å; K189-K192 PolarHBondContact O-N 3.45Å; K189-S193 PolarHBondContact O-N 3.48Å; K189-S193 VanDerWaalsContact O-N 3.12Å
190E94.2Very high92.2Very high78 Ų7856.8 Ų56.836%0.36430%0.295SS..Hα-helixtrans-60.1-45.5179.1-58.683.2173.500110P188 S193 I194 A219 K226P188-E190 VanDerWaalsContact C-N 3.28Å; P188-E190 PolarHBondContact O-N 3.21Å; E190-S193 PolarHBondContact O-N 3.02Å; E190-I194 VanDerWaalsContact O-CG1 3.29Å; E190-I194 WeakPolarHBondContact O-CG1 3.45Å; E190-I194 PolarHBondContact O-N 3.35Å; E190-I194 VanDerWaalsContact O-N 3.16Å; E190-A219 HydrophobicContact CB-CB 4.11Å; E190-K226 IonicContact OE1-NZ 3.3Å; E190-K226 PolarHBondContact OE1-NZ 3.45Å
191V96.9Very high93Very high1 Ų153.9 Ų53.91%0.00629%0.29CS..Hα-helixtrans-71.6-34.3-179.6-173.50000112.2L78 M161 Y165 T187 P188 K189 S193 I194 M195 A219L78-V191 HydrophobicContact CD1-CG2 3.82Å; L78-V191 HydrophobicContact CD2-CG2 3.98Å; M161-V191 HydrophobicContact CE-CG1 3.58Å; Y165-V191 HydrophobicContact CE2-CG1 3.64Å; T187-V191 HydrophobicContact CG2-CB 3.77Å; T187-V191 HydrophobicContact CG2-CG1 3.78Å; P188-V191 HydrophobicContact CB-CB 4.48Å; P188-V191 HydrophobicContact CB-CG2 4.14Å; P188-V191 HydrophobicContact CG-CG2 4.31Å; P188-V191 PolarHBondContact O-N 3.41Å; K189-V191 VanDerWaalsContact C-N 3.32Å; K189-V191 PolarHBondContact O-N 3.21Å; V191-S193 VanDerWaalsContact C-N 3.34Å; V191-S193 PolarHBondContact O-N 3.24Å; V191-I194 PolarHBondContact O-N 3.48Å; V191-M195 WeakPolarHBondContact O-CB 3.47Å; V191-M195 PolarHBondContact O-N 2.86Å; V191-A219 HydrophobicContact CG2-CB 4.26Å
192K96.2Very high93.5Very high65 Ų6557.6 Ų57.628%0.28331%0.307SS..Hα-helixtrans-58.7-45.7172-69.3-178167.7152.40111.4P183 P184 P185 T187 P188 K189 M195 L196P183-K192 HydrophobicContact CB-CB 4.04Å; P183-K192 HydrophobicContact CB-CD 4.28Å; P183-K192 HydrophobicContact CB-CG 3.65Å; P183-K192 HydrophobicContact CG-CB 4.18Å; P183-K192 HydrophobicContact CG-CG 4.32Å; P184-K192 VanDerWaalsContact O-CE 3.25Å; P184-K192 WeakPolarHBondContact O-CE 3.41Å; P185-K192 PolarHBondContact O-NZ 3.11Å; T187-K192 HydrophobicContact CG2-CG 3.79Å; T187-K192 WeakPolarHBondContact O-CD 3.33Å; T187-K192 WeakPolarHBondContact O-CE 3.35Å; T187-K192 PolarHBondContact O-NZ 3.02Å; P188-K192 WeakPolarHBondContact O-CG 3.44Å; P188-K192 PolarHBondContact O-N 3.21Å; K189-K192 PolarHBondContact O-N 3.45Å; K192-M195 PolarHBondContact O-N 3.4Å; K192-L196 WeakPolarHBondContact O-CG 3.25Å; K192-L196 PolarHBondContact O-N 3.35Å
193S96.3Very high93.8Very high67 Ų6754.6 Ų54.647%0.46929%0.289SS..Hα-helixtrans-63.7-41.4178.4178.50000112.1K189 E190 V191 R197K189-S193 PolarHBondContact O-N 3.48Å; K189-S193 VanDerWaalsContact O-N 3.12Å; E190-S193 PolarHBondContact O-N 3.02Å; V191-S193 VanDerWaalsContact C-N 3.34Å; V191-S193 PolarHBondContact O-N 3.24Å; S193-R197 WeakPolarHBondContact O-CG 3.4Å; S193-R197 PolarHBondContact O-N 3.26Å
194I97.9Very high94Very high7 Ų760.5 Ų60.54%0.03632%0.319CS..Hα-helixtrans-60.7-47.7174.2-61.7167.2000110.7M161 E190 V191 L196 R197 C198 L212 D215 L216 A219M161-I194 HydrophobicContact CE-CB 4.4Å; M161-I194 HydrophobicContact CE-CG2 4.06Å; E190-I194 VanDerWaalsContact O-CG1 3.29Å; E190-I194 WeakPolarHBondContact O-CG1 3.45Å; E190-I194 PolarHBondContact O-N 3.35Å; E190-I194 VanDerWaalsContact O-N 3.16Å; V191-I194 PolarHBondContact O-N 3.48Å; I194-L196 PolarHBondContact O-N 3.17Å; I194-R197 PolarHBondContact O-N 3.21Å; I194-C198 PolarHBondContact O-N 3.43Å; I194-C198 PolarHBondContact O-SG 3.18Å; I194-L212 HydrophobicContact CG2-CD2 3.49Å; I194-L212 VanDerWaalsContact CG2-CD2 3.49Å; I194-D215 HydrophobicContact CD1-CB 3.84Å; I194-D215 HydrophobicContact CG1-CB 4.09Å; I194-L216 HydrophobicContact CD1-CD2 3.79Å; I194-L216 HydrophobicContact CD1-CG 4.06Å; I194-L216 HydrophobicContact CG2-CD2 4.12Å; I194-L216 HydrophobicContact CG2-CG 4.17Å; I194-A219 HydrophobicContact CD1-CB 4.43Å
195M96.5Very high94.3Very high0 Ų065.6 Ų65.60%034%0.341CS..Hα-helixtrans-61.2-42.2-179-170-175.6-70.600112.4M161 W162 Y165 P183 T187 V191 K192 R197 C198 W199M161-M195 HydrophobicContact CB-CE 3.67Å; M161-M195 HydrophobicContact CE-CB 3.99Å; M161-M195 HydrophobicContact CE-CE 4.37Å; W162-M195 HydrophobicContact CB-CE 4.21Å; W162-M195 HydrophobicContact CB-SD 4.05Å; Y165-M195 HydrophobicContact CD2-CE 4.36Å; P183-M195 HydrophobicContact CB-SD 3.77Å; P183-M195 HydrophobicContact CG-CB 4.49Å; P183-M195 HydrophobicContact CG-SD 3.95Å; T187-M195 HydrophobicContact CG2-CE 4.39Å; V191-M195 WeakPolarHBondContact O-CB 3.47Å; V191-M195 PolarHBondContact O-N 2.86Å; K192-M195 PolarHBondContact O-N 3.4Å; M195-R197 PolarHBondContact O-N 3.04Å; M195-C198 WeakPolarHBondContact O-CB 3.47Å; M195-C198 PolarHBondContact O-N 2.88Å; M195-W199 HydrophobicContact CG-CE3 4.19Å; M195-W199 HydrophobicContact CG-CH2 3.37Å; M195-W199 HydrophobicContact CG-CZ2 3.79Å; M195-W199 HydrophobicContact CG-CZ3 3.59Å; M195-W199 HydrophobicContact SD-CH2 3.33Å; M195-W199 WeakPolarHBondContact SD-CH2 3.42Å; M195-W199 HydrophobicContact SD-CZ2 4.14Å; M195-W199 HydrophobicContact SD-CZ3 3.78Å
196L95.4Very high94.8Very high91 Ų9159.9 Ų59.948%0.47630%0.303SS..Hα-helixtrans-63.2-40.4177.3-71.8169.7000112.3P183 K192 I194 C198 W199P183-L196 HydrophobicContact CG-CD1 4.46Å; P183-L196 HydrophobicContact CG-CD2 4.02Å; P183-L196 HydrophobicContact CG-CG 3.92Å; K192-L196 WeakPolarHBondContact O-CG 3.25Å; K192-L196 PolarHBondContact O-N 3.35Å; I194-L196 PolarHBondContact O-N 3.17Å; L196-C198 PolarHBondContact O-N 3.44Å; L196-W199 HydrophobicContact CD2-CE3 4.46Å; L196-W199 CarbonylContact O-C 3.56Å; L196-W199 PolarHBondContact O-N 3.26Å
197R96.9Very high95.4Very high70 Ų7056.4 Ų56.426%0.26428%0.279SS..Hα-helixtrans-63.6-27.3175.9-70.5-176-60.4138.12.5113.2S193 I194 M195 W199 E200 P207 D215S193-R197 WeakPolarHBondContact O-CG 3.4Å; S193-R197 PolarHBondContact O-N 3.26Å; I194-R197 PolarHBondContact O-N 3.21Å; M195-R197 PolarHBondContact O-N 3.04Å; R197-W199 PolarHBondContact O-N 3.46Å; R197-E200 WeakPolarHBondContact O-CG 3.42Å; R197-P207 HydrophobicContact CB-CG 4.28Å; R197-P207 WeakPolarHBondContact O-CD 3.39Å; R197-D215 IonicContact CZ-OD2 2.63Å; R197-D215 VanDerWaalsContact CZ-OD2 3.27Å; R197-D215 IonicContact NH1-OD2 3.71Å; R197-D215 PolarHBondContact NH1-OD2 2.7Å; R197-D215 IonicContact NH2-OD2 2.98Å; R197-D215 PolarHBondContact NH2-OD2 2.62Å
198C97.1Very high95.6Very high0 Ų062.8 Ų62.80%031%0.306CS..Hα-helixtrans-66.6-24.5173-650000112.5V154 W155 I194 M195 L196 R206V154-C198 HydrophobicContact CG1-CB 4.12Å; V154-C198 WeakPolarHBondContact O-CB 3.32Å; W155-C198 WeakPolarHBondContact CA-O 3.38Å; I194-C198 PolarHBondContact O-N 3.43Å; I194-C198 PolarHBondContact O-SG 3.18Å; M195-C198 WeakPolarHBondContact O-CB 3.47Å; M195-C198 PolarHBondContact O-N 2.88Å; L196-C198 PolarHBondContact O-N 3.44Å; C198-R206 WeakPolarHBondContact O-CD 3.36Å
199W94.5Very high95.8Very high19 Ų1961.8 Ų61.87%0.07230%0.299CS..THydrogen-bonded Turntrans-106.223.1-177.2-57.1-38.3000113.6W155 G158 V159 W162 L181 P183 M195 L196 R197 D201W155-W199 AromaticContact CD2-CD1 3.73Å; W155-W199 AromaticContact CE2-CD1 3.93Å; W155-W199 HydrophobicContact CE3-CB 4.21Å; W155-W199 AromaticContact CE3-CD1 3.98Å; W155-W199 HydrophobicContact CE3-CG 4.5Å; W155-W199 HydrophobicContact CH2-CB 4.31Å; W155-W199 HydrophobicContact CZ3-CB 3.97Å; W155-W199 PolarHBondContact O-NE1 3.38Å; G158-W199 VanDerWaalsContact O-CZ2 3.25Å; G158-W199 WeakPolarHBondContact O-CZ2 3.49Å; V159-W199 HydrophobicContact CG2-CZ2 4.49Å; W162-W199 HydrophobicContact CB-CH2 4.08Å; W162-W199 HydrophobicContact CB-CZ2 4.16Å; W162-W199 AromaticContact CD1-CH2 3.87Å; W162-W199 HydrophobicContact CG-CH2 4.29Å; L181-W199 HydrophobicContact CB-CD2 4.48Å; L181-W199 HydrophobicContact CB-CE3 4.16Å; L181-W199 HydrophobicContact CB-CH2 3.6Å; L181-W199 HydrophobicContact CB-CZ2 3.96Å; L181-W199 HydrophobicContact CB-CZ3 3.72Å; L181-W199 HydrophobicContact CD1-CH2 4.23Å; L181-W199 HydrophobicContact CD1-CZ2 3.79Å; L181-W199 HydrophobicContact CG-CH2 4.49Å; L181-W199 WeakPolarHBondContact O-CZ3 3.34Å; P183-W199 HydrophobicContact CG-CZ3 4.41Å; M195-W199 HydrophobicContact CG-CE3 4.19Å; M195-W199 HydrophobicContact CG-CH2 3.37Å; M195-W199 HydrophobicContact CG-CZ2 3.79Å; M195-W199 HydrophobicContact CG-CZ3 3.59Å; M195-W199 HydrophobicContact SD-CH2 3.33Å; M195-W199 WeakPolarHBondContact SD-CH2 3.42Å; M195-W199 HydrophobicContact SD-CZ2 4.14Å; M195-W199 HydrophobicContact SD-CZ3 3.78Å; L196-W199 HydrophobicContact CD2-CE3 4.46Å; L196-W199 CarbonylContact O-C 3.56Å; L196-W199 PolarHBondContact O-N 3.26Å; R197-W199 PolarHBondContact O-N 3.46Å; W199-D201 PolarHBondContact O-N 3.29Å
200E94.7Very high96Very high77 Ų7756.1 Ų56.136%0.3629%0.285SS..  trans-56.6133.6166.1-71.7-69.5164.300110.2R197 K205 R206R197-E200 WeakPolarHBondContact O-CG 3.42Å; E200-K205 HydrophobicContact CB-CB 3.85Å; E200-K205 HydrophobicContact CG-CB 3.99Å; E200-R206 HydrophobicContact CB-CG 3.86Å; E200-R206 PolarHBondContact O-NE 2.84Å; E200-R206 PolarHBondContact O-NH2 2.89Å
201D90.9Very high96.2Very high86 Ų8656.1 Ų56.146%0.4629%0.287SS..SBendtrans-63.9-44.9-176.8-74.5-34.1000110.9R180 W199 P203 R206R180-D201 IonicContact CZ-OD1 3.07Å; R180-D201 VanDerWaalsContact CZ-OD1 3.32Å; R180-D201 IonicContact NE-OD1 3.45Å; R180-D201 PolarHBondContact NE-OD1 3.36Å; R180-D201 VanDerWaalsContact NE-OD1 3.16Å; R180-D201 IonicContact NH2-OD1 2.71Å; R180-D201 PolarHBondContact NH2-OD1 2.7Å; R180-D201 IonicContact NH2-OD2 3.19Å; R180-D201 PolarHBondContact NH2-OD2 3.06Å; W199-D201 PolarHBondContact O-N 3.29Å; D201-P203 WeakPolarHBondContact O-CD 3.34Å; D201-R206 PolarHBondContact O-NH2 2.88Å; D201-R206 VanDerWaalsContact O-NH2 3.14Å
202E92Very high96.3Very high103 Ų10356 Ų5648%0.48129%0.287SS..SBendtrans-74.9119.8174.9-69.6172.3-136.400110.8N204 K205E202-N204 PolarHBondContact O-N 3.3Å; E202-K205 HydrophobicContact CB-CB 4.25Å; E202-K205 HydrophobicContact CB-CD 3.98Å; E202-K205 HydrophobicContact CB-CG 3.96Å; E202-K205 VanDerWaalsContact CD-CE 3.45Å; E202-K205 VanDerWaalsContact CD-NZ 3.26Å; E202-K205 HydrophobicContact CG-CD 4.39Å; E202-K205 PolarHBondContact O-N 2.81Å; E202-K205 WeakPolarHBondContact OE1-CE 3.36Å; E202-K205 IonicContact OE1-NZ 2.69Å; E202-K205 PolarHBondContact OE1-NZ 3.45Å; E202-K205 WeakPolarHBondContact OE2-CE 3.5Å; E202-K205 IonicContact OE2-NZ 3.17Å; E202-K205 PolarHBondContact OE2-NZ 3.14Å
203P94.1Very high96.4Very high40 Ų4055.2 Ų55.226%0.2628%0.284SS..THydrogen-bonded Turntrans-56.3-31.8-177.2-27.835.6000114.1D145 K151 D201 K205 R206D145-P203 HydrophobicContact CB-CG 4.08Å; K151-P203 HydrophobicContact CB-CB 4.04Å; K151-P203 VanDerWaalsContact CD-O 3.29Å; K151-P203 WeakPolarHBondContact CD-O 3.49Å; K151-P203 VanDerWaalsContact CG-O 3.3Å; K151-P203 WeakPolarHBondContact CG-O 3.38Å; D201-P203 WeakPolarHBondContact O-CD 3.34Å; P203-K205 VanDerWaalsContact C-N 3.34Å; P203-R206 WeakPolarHBondContact O-CB 3.35Å; P203-R206 PolarHBondContact O-N 3.43Å
204N94.7Very high96.5Very high145 Ų14559.3 Ų59.378%0.77529%0.293SS*.THydrogen-bonded Turntrans-74.1-22.5-179.6-68-25.7000113.4E202E202-N204 PolarHBondContact O-N 3.3Å
205K96.8Very high96.5Very high118 Ų11861.6 Ų61.651%0.51331%0.306SS..THydrogen-bonded Turntrans-79.6-23.1175.4-70.8-176.4175.3161.60112.7E200 E202 P203E200-K205 HydrophobicContact CB-CB 3.85Å; E200-K205 HydrophobicContact CG-CB 3.99Å; E202-K205 HydrophobicContact CB-CB 4.25Å; E202-K205 HydrophobicContact CB-CD 3.98Å; E202-K205 HydrophobicContact CB-CG 3.96Å; E202-K205 VanDerWaalsContact CD-CE 3.45Å; E202-K205 VanDerWaalsContact CD-NZ 3.26Å; E202-K205 HydrophobicContact CG-CD 4.39Å; E202-K205 PolarHBondContact O-N 2.81Å; E202-K205 WeakPolarHBondContact OE1-CE 3.36Å; E202-K205 IonicContact OE1-NZ 2.69Å; E202-K205 PolarHBondContact OE1-NZ 3.45Å; E202-K205 WeakPolarHBondContact OE2-CE 3.5Å; E202-K205 IonicContact OE2-NZ 3.17Å; E202-K205 PolarHBondContact OE2-NZ 3.14Å; P203-K205 VanDerWaalsContact C-N 3.34Å
206R97.4Very high96.6Very high2 Ų261.6 Ų61.61%0.00831%0.306CS..SBendtrans-60.4142.1172.6-58.6175.4-162.4148.411.2109.2D145 K151 V154 C198 E200 D201 P203D145-R206 IonicContact OD2-CZ 2.65Å; D145-R206 VanDerWaalsContact OD2-CZ 3.32Å; D145-R206 IonicContact OD2-NH1 3.89Å; D145-R206 PolarHBondContact OD2-NH1 2.97Å; D145-R206 IonicContact OD2-NH2 3.52Å; D145-R206 PolarHBondContact OD2-NH2 3.47Å; K151-R206 HydrophobicContact CD-CB 4.29Å; K151-R206 PolarHBondContact NZ-O 2.74Å; K151-R206 WeakPolarHBondContact O-CD 3.27Å; K151-R206 PolarHBondContact O-NH1 3.14Å; K151-R206 VanDerWaalsContact O-NH1 3.15Å; V154-R206 HydrophobicContact CG1-CB 3.96Å; C198-R206 WeakPolarHBondContact O-CD 3.36Å; E200-R206 HydrophobicContact CB-CG 3.86Å; E200-R206 PolarHBondContact O-NE 2.84Å; E200-R206 PolarHBondContact O-NH2 2.89Å; D201-R206 PolarHBondContact O-NH2 2.88Å; D201-R206 VanDerWaalsContact O-NH2 3.14Å; P203-R206 WeakPolarHBondContact O-CB 3.35Å; P203-R206 PolarHBondContact O-N 3.43Å
207P98.2Very high96.7Very high12 Ų1260.5 Ų60.58%0.07830%0.298CS..PPolyproline II helixtrans-67.3170.7-17926.4-33.5000112.3K151 V154 R197 D211 L212K151-P207 PolarHBondContact NZ-O 2.8Å; V154-P207 HydrophobicContact CG1-CG 4.35Å; R197-P207 HydrophobicContact CB-CG 4.28Å; R197-P207 WeakPolarHBondContact O-CD 3.39Å; P207-D211 HydrophobicContact CB-CB 4.35Å; P207-L212 HydrophobicContact CB-CD2 4.14Å; P207-L212 HydrophobicContact CB-CG 4.03Å; P207-L212 HydrophobicContact CG-CD1 4.01Å; P207-L212 HydrophobicContact CG-CD2 3.41Å; P207-L212 VanDerWaalsContact CG-CD2 3.41Å; P207-L212 HydrophobicContact CG-CG 3.61Å
208K98.2Very high96.7Very high138 Ų13860.1 Ų60.160%0.631%0.31SS*.PPolyproline II helixtrans-85.8158.6164.7-59.5176.5-179.31750109.1A210 D211 L212K208-A210 PolarHBondContact O-N 2.72Å; K208-D211 VanDerWaalsContact CB-OD2 3.3Å; K208-D211 WeakPolarHBondContact CB-OD2 3.5Å; K208-D211 PolarHBondContact N-OD2 3.41Å; K208-D211 VanDerWaalsContact N-OD2 3.09Å; K208-D211 PolarHBondContact O-N 3.04Å; K208-D211 VanDerWaalsContact O-N 3.14Å; K208-L212 PolarHBondContact O-N 3.36Å
209F98.6Very high96.7Very high4 Ų460.6 Ų60.62%0.01831%0.314CS..Hα-helixtrans-59.5-33.8176.5-77.1-63.4000113.1V85 M88 V89 D153 V154 F157 L212 E213V85-F209 HydrophobicContact CG2-CD1 4.23Å; M88-F209 HydrophobicContact CB-CB 4.49Å; M88-F209 HydrophobicContact CB-CD1 3.46Å; M88-F209 VanDerWaalsContact CB-CD1 3.46Å; M88-F209 HydrophobicContact CB-CD2 3.99Å; M88-F209 HydrophobicContact CB-CE1 3.48Å; M88-F209 VanDerWaalsContact CB-CE1 3.48Å; M88-F209 HydrophobicContact CB-CE2 4Å; M88-F209 HydrophobicContact CB-CG 3.73Å; M88-F209 HydrophobicContact CB-CZ 3.75Å; M88-F209 HydrophobicContact CE-CE1 4.28Å; M88-F209 HydrophobicContact CE-CE2 3.6Å; M88-F209 HydrophobicContact CE-CZ 3.46Å; M88-F209 VanDerWaalsContact CE-CZ 3.46Å; M88-F209 HydrophobicContact CG-CD1 4.3Å; M88-F209 HydrophobicContact CG-CE1 3.83Å; M88-F209 HydrophobicContact CG-CZ 3.99Å; V89-F209 VanDerWaalsContact CG2-C 3.46Å; V89-F209 HydrophobicContact CG2-CB 3.74Å; V89-F209 WeakPolarHBondContact CG2-O 3.48Å; D153-F209 HydrophobicContact CB-CE2 3.99Å; D153-F209 HydrophobicContact CB-CZ 3.88Å; V154-F209 HydrophobicContact CB-CZ 4.35Å; V154-F209 HydrophobicContact CG2-CD1 4.26Å; V154-F209 HydrophobicContact CG2-CD2 4.09Å; V154-F209 HydrophobicContact CG2-CE1 3.93Å; V154-F209 HydrophobicContact CG2-CE2 3.75Å; V154-F209 HydrophobicContact CG2-CG 4.34Å; V154-F209 HydrophobicContact CG2-CZ 3.66Å; F157-F209 HydrophobicContact CB-CE1 3.79Å; F157-F209 HydrophobicContact CB-CZ 4.3Å; F157-F209 HydrophobicContact CD1-CE1 4.32Å; F157-F209 HydrophobicContact CD2-CE1 4.29Å; F157-F209 AromaticContact CG-CE1 3.88Å; F157-F209 HydrophobicContact CG-CE1 3.88Å; F209-L212 HydrophobicContact CD1-CD1 4.02Å; F209-L212 HydrophobicContact CE1-CD1 4.38Å; F209-L212 WeakPolarHBondContact O-CB 3.27Å; F209-L212 PolarHBondContact O-N 2.63Å; F209-E213 WeakPolarHBondContact O-CB 3.5Å; F209-E213 PolarHBondContact O-N 2.86Å
210A98.4Very high96.8Very high55 Ų5561.3 Ų61.346%0.45532%0.317SS..Hα-helixtrans-64.3-38.8176.500000112.4K208 E213 K214K208-A210 PolarHBondContact O-N 2.72Å; A210-E213 PolarHBondContact O-N 2.94Å; A210-K214 PolarHBondContact O-N 3Å
211D98.4Very high96.8Very high78 Ų7862 Ų6242%0.41732%0.32SS..Hα-helixtrans-67.8-43.4175.8-50.2-47.2000110.3P207 K208 E213 K214 D215P207-D211 HydrophobicContact CB-CB 4.35Å; K208-D211 VanDerWaalsContact CB-OD2 3.3Å; K208-D211 WeakPolarHBondContact CB-OD2 3.5Å; K208-D211 PolarHBondContact N-OD2 3.41Å; K208-D211 VanDerWaalsContact N-OD2 3.09Å; K208-D211 PolarHBondContact O-N 3.04Å; K208-D211 VanDerWaalsContact O-N 3.14Å; D211-E213 VanDerWaalsContact C-N 3.34Å; D211-E213 PolarHBondContact O-N 3.17Å; D211-K214 PolarHBondContact O-N 3.09Å; D211-D215 VanDerWaalsContact O-CG 3.24Å; D211-D215 PolarHBondContact O-N 2.77Å
212L98.6Very high96.9Very high0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-59.9-42.3175.6-71.3174.9000112.3V85 V154 F157 I194 P207 K208 F209 D215 L216V85-L212 HydrophobicContact CG2-CB 3.81Å; V154-L212 HydrophobicContact CG1-CD1 4.06Å; V154-L212 HydrophobicContact CG2-CD1 4.46Å; F157-L212 HydrophobicContact CD1-CD1 3.98Å; F157-L212 HydrophobicContact CE1-CD1 4.19Å; I194-L212 HydrophobicContact CG2-CD2 3.49Å; I194-L212 VanDerWaalsContact CG2-CD2 3.49Å; P207-L212 HydrophobicContact CB-CD2 4.14Å; P207-L212 HydrophobicContact CB-CG 4.03Å; P207-L212 HydrophobicContact CG-CD1 4.01Å; P207-L212 HydrophobicContact CG-CD2 3.41Å; P207-L212 VanDerWaalsContact CG-CD2 3.41Å; P207-L212 HydrophobicContact CG-CG 3.61Å; K208-L212 PolarHBondContact O-N 3.36Å; F209-L212 HydrophobicContact CD1-CD1 4.02Å; F209-L212 HydrophobicContact CE1-CD1 4.38Å; F209-L212 WeakPolarHBondContact O-CB 3.27Å; F209-L212 PolarHBondContact O-N 2.63Å; L212-D215 PolarHBondContact O-N 3.02Å; L212-L216 HydrophobicContact CB-CD1 4.48Å; L212-L216 VanDerWaalsContact O-CB 3.23Å; L212-L216 WeakPolarHBondContact O-CB 3.32Å; L212-L216 WeakPolarHBondContact O-CD1 3.42Å; L212-L216 WeakPolarHBondContact O-CG 3.26Å; L212-L216 PolarHBondContact O-N 3.34Å
213E98.6Very high96.9Very high47 Ų4756.6 Ų56.622%0.2230%0.297CS..Hα-helixtrans-58.6-51.4177.6177.5177.5-124.200110.8V85 R86 V89 F209 A210 D211 D215 L216 E217V85-E213 HydrophobicContact CG1-CB 3.98Å; V85-E213 HydrophobicContact CG1-CG 4.22Å; V85-E213 HydrophobicContact CG2-CB 4.07Å; R86-E213 HydrophobicContact CG-CG 4.48Å; R86-E213 WeakPolarHBondContact CG-OE1 3.36Å; V89-E213 HydrophobicContact CG2-CB 3.88Å; V89-E213 HydrophobicContact CG2-CG 4.48Å; F209-E213 WeakPolarHBondContact O-CB 3.5Å; F209-E213 PolarHBondContact O-N 2.86Å; A210-E213 PolarHBondContact O-N 2.94Å; D211-E213 VanDerWaalsContact C-N 3.34Å; D211-E213 PolarHBondContact O-N 3.17Å; E213-D215 VanDerWaalsContact C-N 3.35Å; E213-D215 PolarHBondContact O-N 3.2Å; E213-L216 PolarHBondContact O-N 2.8Å; E213-E217 HydrophobicContact CG-CG 4.48Å; E213-E217 WeakPolarHBondContact O-CB 3.3Å; E213-E217 WeakPolarHBondContact O-CG 3.33Å; E213-E217 PolarHBondContact O-N 3.34Å
214K98.3Very high96.7Very high154 Ų15461.1 Ų61.167%0.6731%0.309SS*.Hα-helixtrans-56.7-47.4177.1-177.4-177.8175.8-176.20112.1A210 D211 A218A210-K214 PolarHBondContact O-N 3Å; D211-K214 PolarHBondContact O-N 3.09Å; K214-A218 WeakPolarHBondContact O-CB 3.17Å; K214-A218 PolarHBondContact O-N 3.33Å
215D98.4Very high96.6Very high55 Ų5556.9 Ų56.929%0.29429%0.291SS..Hα-helixtrans-66.6-39.6-178.3-66.3-23.5000112I194 R197 D211 L212 E213 A219I194-D215 HydrophobicContact CD1-CB 3.84Å; I194-D215 HydrophobicContact CG1-CB 4.09Å; R197-D215 IonicContact CZ-OD2 2.63Å; R197-D215 VanDerWaalsContact CZ-OD2 3.27Å; R197-D215 IonicContact NH1-OD2 3.71Å; R197-D215 PolarHBondContact NH1-OD2 2.7Å; R197-D215 IonicContact NH2-OD2 2.98Å; R197-D215 PolarHBondContact NH2-OD2 2.62Å; D211-D215 VanDerWaalsContact O-CG 3.24Å; D211-D215 PolarHBondContact O-N 2.77Å; L212-D215 PolarHBondContact O-N 3.02Å; E213-D215 VanDerWaalsContact C-N 3.35Å; E213-D215 PolarHBondContact O-N 3.2Å; D215-A219 WeakPolarHBondContact O-CB 3.38Å; D215-A219 PolarHBondContact O-N 2.99Å
216L98.3Very high96.2Very high0 Ų056 Ų560%029%0.287CS..Hα-helixtrans-72-37.6179.1-74.6165.6000112.3L78 I81 V82 V85 F157 M161 I194 L212 E213 A219 Y220L78-L216 HydrophobicContact CD1-CD2 3.76Å; I81-L216 HydrophobicContact CG2-CD1 3.74Å; I81-L216 HydrophobicContact CG2-CD2 3.73Å; I81-L216 HydrophobicContact CG2-CG 4.36Å; V82-L216 HydrophobicContact CG2-CB 4.1Å; V85-L216 HydrophobicContact CB-CD1 3.87Å; V85-L216 HydrophobicContact CG1-CD1 3.83Å; V85-L216 HydrophobicContact CG2-CD1 4.07Å; F157-L216 HydrophobicContact CE1-CD1 3.89Å; F157-L216 HydrophobicContact CZ-CD1 3.75Å; M161-L216 HydrophobicContact CE-CD2 4.1Å; I194-L216 HydrophobicContact CD1-CD2 3.79Å; I194-L216 HydrophobicContact CD1-CG 4.06Å; I194-L216 HydrophobicContact CG2-CD2 4.12Å; I194-L216 HydrophobicContact CG2-CG 4.17Å; L212-L216 HydrophobicContact CB-CD1 4.48Å; L212-L216 VanDerWaalsContact O-CB 3.23Å; L212-L216 WeakPolarHBondContact O-CB 3.32Å; L212-L216 WeakPolarHBondContact O-CD1 3.42Å; L212-L216 WeakPolarHBondContact O-CG 3.26Å; L212-L216 PolarHBondContact O-N 3.34Å; E213-L216 PolarHBondContact O-N 2.8Å; L216-A219 PolarHBondContact O-N 3.04Å; L216-Y220 WeakPolarHBondContact O-CB 3.41Å; L216-Y220 PolarHBondContact O-N 2.62Å
217E97.4Very high95.7Very high68 Ų6859.3 Ų59.332%0.31830%0.302SS..Hα-helixtrans-64.7-43.6173.2-74-172164.200111.2V82 R86 E213 A219 Y220 E221V82-E217 HydrophobicContact CG1-CG 4.18Å; R86-E217 IonicContact CZ-OE1 2.7Å; R86-E217 VanDerWaalsContact CZ-OE1 3.3Å; R86-E217 IonicContact NE-OE1 3.32Å; R86-E217 PolarHBondContact NE-OE1 2.73Å; R86-E217 IonicContact NH2-OE1 2.74Å; R86-E217 PolarHBondContact NH2-OE1 2.63Å; E213-E217 HydrophobicContact CG-CG 4.48Å; E213-E217 WeakPolarHBondContact O-CB 3.3Å; E213-E217 WeakPolarHBondContact O-CG 3.33Å; E213-E217 PolarHBondContact O-N 3.34Å; E217-A219 VanDerWaalsContact C-N 3.35Å; E217-A219 PolarHBondContact O-N 2.98Å; E217-Y220 WeakPolarHBondContact O-CB 3.26Å; E217-Y220 PolarHBondContact O-N 2.95Å; E217-Y220 VanDerWaalsContact O-N 3.16Å; E217-E221 PolarHBondContact O-N 2.77Å
218A97.4Very high95.2Very high62 Ų6267.8 Ų67.851%0.51233%0.333SS..Hα-helixtrans-61-43.2174.100000112K214 Y220 E221 S222K214-A218 WeakPolarHBondContact O-CB 3.17Å; K214-A218 PolarHBondContact O-N 3.33Å; A218-Y220 VanDerWaalsContact C-N 3.31Å; A218-Y220 PolarHBondContact O-N 2.71Å; A218-E221 PolarHBondContact O-N 2.92Å; A218-S222 WeakPolarHBondContact O-CB 3.41Å; A218-S222 PolarHBondContact O-N 3.45Å
219A97.1Very high94.7Very high9 Ų967.6 Ų67.67%0.07433%0.334CS..Hα-helixtrans-62.6-38.4174.700000112L78 E190 V191 I194 D215 L216 E217 L223L78-A219 HydrophobicContact CD2-CB 4.11Å; E190-A219 HydrophobicContact CB-CB 4.11Å; V191-A219 HydrophobicContact CG2-CB 4.26Å; I194-A219 HydrophobicContact CD1-CB 4.43Å; D215-A219 WeakPolarHBondContact O-CB 3.38Å; D215-A219 PolarHBondContact O-N 2.99Å; L216-A219 PolarHBondContact O-N 3.04Å; E217-A219 VanDerWaalsContact C-N 3.35Å; E217-A219 PolarHBondContact O-N 2.98Å; A219-L223 WeakPolarHBondContact O-CB 3.39Å; A219-L223 PolarHBondContact O-N 2.98Å
220Y96.4Very high94.1Very high35 Ų3570.4 Ų70.414%0.13735%0.354CS..Hα-helixtrans-65.6-46.9178.5-176.7-104.4000112.2Q75 L78 K79 L216 E217 A218 L223 R224Q75-Y220 HydrophobicContact CG-CD2 4.17Å; Q75-Y220 HydrophobicContact CG-CE2 3.48Å; Q75-Y220 VanDerWaalsContact CG-CE2 3.48Å; Q75-Y220 PolarHBondContact NE2-OH 3.17Å; Q75-Y220 WeakPolarHBondContact O-CE2 3.5Å; L78-Y220 HydrophobicContact CB-CD2 4.24Å; L78-Y220 HydrophobicContact CD2-CD2 4.31Å; L78-Y220 HydrophobicContact CG-CD2 4.03Å; K79-Y220 HydrophobicContact CB-CD2 4.5Å; K79-Y220 HydrophobicContact CB-CE2 3.72Å; K79-Y220 HydrophobicContact CG-CE2 4.28Å; L216-Y220 WeakPolarHBondContact O-CB 3.41Å; L216-Y220 PolarHBondContact O-N 2.62Å; E217-Y220 WeakPolarHBondContact O-CB 3.26Å; E217-Y220 PolarHBondContact O-N 2.95Å; E217-Y220 VanDerWaalsContact O-N 3.16Å; A218-Y220 VanDerWaalsContact C-N 3.31Å; A218-Y220 PolarHBondContact O-N 2.71Å; Y220-L223 PolarHBondContact O-N 3.22Å; Y220-R224 WeakPolarHBondContact O-CB 3.3Å; Y220-R224 PolarHBondContact O-N 2.78Å
221E94.6Very high93.4Very high92 Ų9273.4 Ų73.443%0.4336%0.362SS..Hα-helixtrans-68-36.8178.2-67.9-54.814900112.3E217 A218 R224 S225E217-E221 PolarHBondContact O-N 2.77Å; A218-E221 PolarHBondContact O-N 2.92Å; E221-R224 PolarHBondContact O-N 3.24Å; E221-S225 WeakPolarHBondContact O-CB 3.08Å; E221-S225 PolarHBondContact O-N 2.82Å; E221-S225 PolarHBondContact O-OG 3.03Å
222S93.7Very high92.7Very high43 Ų4373.5 Ų73.530%0.30137%0.365SS..Hα-helixtrans-60.3-47172.31790000111.7A218 S225 K226A218-S222 WeakPolarHBondContact O-CB 3.41Å; A218-S222 PolarHBondContact O-N 3.45Å; S222-S225 PolarHBondContact O-N 3.4Å; S222-K226 WeakPolarHBondContact O-CG 3.46Å; S222-K226 PolarHBondContact O-N 2.69Å
223L91.3Very high91.9Very high32 Ų3275.9 Ų75.917%0.16838%0.382CS..Hα-helixtrans-65.8-41.3179.2-171.762.6000112Q75 L78 P188 A219 Y220 S225 K226 Q227Q75-L223 HydrophobicContact CB-CD2 3.89Å; Q75-L223 HydrophobicContact CB-CG 4.35Å; L78-L223 HydrophobicContact CD2-CD2 4.21Å; P188-L223 HydrophobicContact CG-CD2 4.48Å; A219-L223 WeakPolarHBondContact O-CB 3.39Å; A219-L223 PolarHBondContact O-N 2.98Å; Y220-L223 PolarHBondContact O-N 3.22Å; L223-S225 VanDerWaalsContact C-N 3.34Å; L223-S225 PolarHBondContact O-N 3.04Å; L223-K226 PolarHBondContact O-N 3.26Å; L223-Q227 WeakPolarHBondContact O-CG 3.47Å; L223-Q227 PolarHBondContact O-N 3.03Å
224R90.7Very high90.9Very high135 Ų13578.8 Ų78.851%0.50940%0.398SS..Hα-helixtrans-62-41175.8-175.7-179.8-177.3178-0.5111.9Y220 E221 Q227 R228Y220-R224 WeakPolarHBondContact O-CB 3.3Å; Y220-R224 PolarHBondContact O-N 2.78Å; E221-R224 PolarHBondContact O-N 3.24Å; R224-Q227 PolarHBondContact O-N 3.33Å; R224-R228 PolarHBondContact O-N 3.36Å
225S91.3Very high89.9Confident55 Ų5574.6 Ų74.639%0.38539%0.392SS..Hα-helixtrans-65.9-47.4178.6-58.50000111.3E221 S222 L223 Q227 R228 E229E221-S225 WeakPolarHBondContact O-CB 3.08Å; E221-S225 PolarHBondContact O-N 2.82Å; E221-S225 PolarHBondContact O-OG 3.03Å; S222-S225 PolarHBondContact O-N 3.4Å; L223-S225 VanDerWaalsContact C-N 3.34Å; L223-S225 PolarHBondContact O-N 3.04Å; S225-Q227 VanDerWaalsContact C-N 3.29Å; S225-Q227 PolarHBondContact O-N 2.83Å; S225-R228 WeakPolarHBondContact O-CB 3.26Å; S225-R228 PolarHBondContact O-N 3.19Å; S225-R228 VanDerWaalsContact O-N 3.08Å; S225-E229 WeakPolarHBondContact O-CG 3.32Å; S225-E229 PolarHBondContact O-N 3.26Å
226K89.6Confident88.8Confident101 Ų10176.4 Ų76.444%0.43941%0.409SS..Hα-helixtrans-57-40.5174.7-70.7171.8-175.3172.40112.4E190 S222 L223 S230E190-K226 IonicContact OE1-NZ 3.3Å; E190-K226 PolarHBondContact OE1-NZ 3.45Å; S222-K226 WeakPolarHBondContact O-CG 3.46Å; S222-K226 PolarHBondContact O-N 2.69Å; L223-K226 PolarHBondContact O-N 3.26Å; K226-S230 WeakPolarHBondContact O-CB 3.32Å; K226-S230 PolarHBondContact O-N 3.16Å
227Q85.7Confident87.7Confident70 Ų7084.9 Ų84.933%0.32745%0.446SS..Hα-helixtrans-66.1-42.4175.4-73.8-170.316.100112.5L223 R224 S225 S230 L231L223-Q227 WeakPolarHBondContact O-CG 3.47Å; L223-Q227 PolarHBondContact O-N 3.03Å; R224-Q227 PolarHBondContact O-N 3.33Å; S225-Q227 VanDerWaalsContact C-N 3.29Å; S225-Q227 PolarHBondContact O-N 2.83Å; Q227-S230 PolarHBondContact O-N 3.35Å; Q227-L231 WeakPolarHBondContact O-CG 3.41Å; Q227-L231 PolarHBondContact O-N 3.12Å
228R88Confident85.6Confident191 Ų19183.9 Ų83.972%0.72145%0.454SS*.Hα-helixtrans-62.8-45.7176.8-173.2179.4-178.9176.7-0.5111.5R224 S225 S230 L231 V232R224-R228 PolarHBondContact O-N 3.36Å; S225-R228 WeakPolarHBondContact O-CB 3.26Å; S225-R228 PolarHBondContact O-N 3.19Å; S225-R228 VanDerWaalsContact O-N 3.08Å; R228-S230 VanDerWaalsContact C-N 3.32Å; R228-S230 PolarHBondContact O-N 3.22Å; R228-L231 PolarHBondContact O-N 2.85Å; R228-V232 VanDerWaalsContact O-CG2 3.3Å; R228-V232 WeakPolarHBondContact O-CG2 3.43Å; R228-V232 PolarHBondContact O-N 2.84Å
229E87.9Confident83.4Confident134 Ų13488.2 Ų88.263%0.62647%0.467SS*.Hα-helixtrans-60.4-41.7175.6-72.8170.1-169.500111.8S225 V232 S233S225-E229 WeakPolarHBondContact O-CG 3.32Å; S225-E229 PolarHBondContact O-N 3.26Å; E229-V232 PolarHBondContact O-N 2.7Å; E229-S233 VanDerWaalsContact O-CB 3.29Å; E229-S233 WeakPolarHBondContact O-CB 3.1Å; E229-S233 PolarHBondContact O-N 3.25Å
230S85.7Confident80.8Confident63 Ų6395 Ų9544%0.44150%0.501SS..Hα-helixtrans-61.3-44.6174.3-173.70000111.9K226 Q227 R228 S233 I234K226-S230 WeakPolarHBondContact O-CB 3.32Å; K226-S230 PolarHBondContact O-N 3.16Å; Q227-S230 PolarHBondContact O-N 3.35Å; R228-S230 VanDerWaalsContact C-N 3.32Å; R228-S230 PolarHBondContact O-N 3.22Å; S230-S233 PolarHBondContact O-N 3.26Å; S230-I234 WeakPolarHBondContact O-CD1 3.41Å; S230-I234 WeakPolarHBondContact O-CG1 3.32Å; S230-I234 PolarHBondContact O-N 2.85Å
231L84.7Confident78.3Confident117 Ų11798.3 Ų98.361%0.61353%0.525SS*.Hα-helixtrans-65.1-40177.7-71.5172.4000112.1Q227 R228 I234 A235Q227-L231 WeakPolarHBondContact O-CG 3.41Å; Q227-L231 PolarHBondContact O-N 3.12Å; R228-L231 PolarHBondContact O-N 2.85Å; L231-I234 PolarHBondContact O-N 2.91Å; L231-A235 WeakPolarHBondContact O-CB 3.5Å; L231-A235 PolarHBondContact O-N 3.36Å
232V84Confident75.7Confident80 Ų80101.7 Ų101.749%0.48555%0.545SS..Hα-helixtrans-64.4-45.5174.6172.20000110.4R228 E229 I234 A235 S236R228-V232 VanDerWaalsContact O-CG2 3.3Å; R228-V232 WeakPolarHBondContact O-CG2 3.43Å; R228-V232 PolarHBondContact O-N 2.84Å; E229-V232 PolarHBondContact O-N 2.7Å; V232-I234 VanDerWaalsContact C-N 3.33Å; V232-I234 PolarHBondContact O-N 2.89Å; V232-A235 PolarHBondContact O-N 3.47Å; V232-S236 WeakPolarHBondContact O-CB 3.26Å; V232-S236 PolarHBondContact O-N 2.71Å; V232-S236 PolarHBondContact O-OG 3.24Å; V232-S236 VanDerWaalsContact O-OG 3.06Å
233S79.9Confident73Confident51 Ų51107.5 Ų107.536%0.35757%0.565SS.*Hα-helixtrans-59.6-41.9176.3-177.40000112.2E229 S230 S236 K237E229-S233 VanDerWaalsContact O-CB 3.29Å; E229-S233 WeakPolarHBondContact O-CB 3.1Å; E229-S233 PolarHBondContact O-N 3.25Å; S230-S233 PolarHBondContact O-N 3.26Å; S233-S236 PolarHBondContact O-N 3.41Å; S233-K237 WeakPolarHBondContact O-CB 3.06Å; S233-K237 VanDerWaalsContact O-CG 3.28Å; S233-K237 WeakPolarHBondContact O-CG 3.47Å; S233-K237 PolarHBondContact O-N 3.45Å
234I78Confident70.2Confident107 Ų107114.8 Ų114.855%0.54959%0.592SS.*Hα-helixtrans-63.2-46.7174-68.9162.6000110.6S230 L231 V232 S236 K237 G238S230-I234 WeakPolarHBondContact O-CD1 3.41Å; S230-I234 WeakPolarHBondContact O-CG1 3.32Å; S230-I234 PolarHBondContact O-N 2.85Å; L231-I234 PolarHBondContact O-N 2.91Å; V232-I234 VanDerWaalsContact C-N 3.33Å; V232-I234 PolarHBondContact O-N 2.89Å; I234-S236 PolarHBondContact O-N 3.45Å; I234-K237 PolarHBondContact O-N 3.26Å; I234-G238 WeakPolarHBondContact O-CA 3.11Å; I234-G238 PolarHBondContact O-N 3.29Å
235A77.3Confident67.4Low66 Ų66118.1 Ų118.155%0.54561%0.606SS.*Hα-helixtrans-63.5-40.5178.500000112.4L231 V232 G238L231-A235 WeakPolarHBondContact O-CB 3.5Å; L231-A235 PolarHBondContact O-N 3.36Å; V232-A235 PolarHBondContact O-N 3.47Å; A235-G238 CarbonylContact O-C 3.46Å; A235-G238 PolarHBondContact O-N 3.07Å
236S76.3Confident64.6Low93 Ų93125.8 Ų125.865%0.6563%0.626SS**Hα-helixtrans-71.4-30.6178.5-61.40000113.1V232 S233 I234 G238V232-S236 WeakPolarHBondContact O-CB 3.26Å; V232-S236 PolarHBondContact O-N 2.71Å; V232-S236 PolarHBondContact O-OG 3.24Å; V232-S236 VanDerWaalsContact O-OG 3.06Å; S233-S236 PolarHBondContact O-N 3.41Å; I234-S236 PolarHBondContact O-N 3.45Å; S236-G238 VanDerWaalsContact C-N 3.33Å
237K74.5Confident62.1Low178 Ų178128.5 Ų128.577%0.77464%0.644SS**Hα-helixtrans-81.5-14.9172-69.2176.1-177-176.80112.8S233 I234S233-K237 WeakPolarHBondContact O-CB 3.06Å; S233-K237 VanDerWaalsContact O-CG 3.28Å; S233-K237 WeakPolarHBondContact O-CG 3.47Å; S233-K237 PolarHBondContact O-N 3.45Å; I234-K237 PolarHBondContact O-N 3.26Å
238G54.5Low59.8Low47 Ų47127.9 Ų127.949%0.48566%0.657SS.*  trans-114.358.2-17200000113.5I234 A235 S236 L240I234-G238 WeakPolarHBondContact O-CA 3.11Å; I234-G238 PolarHBondContact O-N 3.29Å; A235-G238 CarbonylContact O-C 3.46Å; A235-G238 PolarHBondContact O-N 3.07Å; S236-G238 VanDerWaalsContact C-N 3.33Å; G238-L240 VanDerWaalsContact C-N 3.26Å; G238-L240 PolarHBondContact O-N 2.99Å; G238-L240 VanDerWaalsContact O-N 3.14Å
239I51Low57.1Low153 Ų153125.4 Ų125.479%0.78567%0.667SS**  trans-71.494.3147-65.2170.6000105.8
240L42.7Very low54.8Low153 Ų153124 Ų12480%0.80167%0.672SS**SBendtrans173.4113.7145.6-95.5144.6000108.1G238G238-L240 VanDerWaalsContact C-N 3.26Å; G238-L240 PolarHBondContact O-N 2.99Å; G238-L240 VanDerWaalsContact O-N 3.14Å
241T43.9Very low52.6Low104 Ų104132.7 Ų132.764%0.63870%0.695SS**  trans81.260.617312.30000118.7F243T241-F243 HydrophobicContact CG2-CB 4.46Å; T241-F243 HydrophobicContact CG2-CD2 3.1Å; T241-F243 HydrophobicContact CG2-CE2 3.38Å; T241-F243 HydrophobicContact CG2-CG 3.93Å; T241-F243 HydrophobicContact CG2-CZ 4.41Å; T241-F243 PolarHBondContact O-N 2.9Å
242L38.2Very low50.1Low162 Ų162134.9 Ų134.985%0.84871%0.707SS**  -63.684.4125.9-95.2161.2000106.5Y244L242-Y244 PolarHBondContact O-N 3.23Å
243F38.6Very low48Very low166 Ų166136 Ų13673%0.72872%0.715SS**  trans-61.788.7148.5-99.1-74000104.7T241 Y245T241-F243 HydrophobicContact CG2-CB 4.46Å; T241-F243 HydrophobicContact CG2-CD2 3.1Å; T241-F243 HydrophobicContact CG2-CE2 3.38Å; T241-F243 HydrophobicContact CG2-CG 3.93Å; T241-F243 HydrophobicContact CG2-CZ 4.41Å; T241-F243 PolarHBondContact O-N 2.9Å; F243-Y245 PolarHBondContact O-N 3.14Å
244Y32.8Very low46Very low184 Ų184141.8 Ų141.872%0.72273%0.734SS**  trans-48.2106.7132.3-97.8-89.4000104.7L242 R246L242-Y244 PolarHBondContact O-N 3.23Å; Y244-R246 PolarHBondContact O-N 3.28Å
245Y31.2Very low44Very low206 Ų206147.7 Ų147.781%0.80875%0.749SS**  trans-64.870148-136.3-88.5000105.7F243 I247F243-Y245 PolarHBondContact O-N 3.14Å; Y245-I247 PolarHBondContact O-N 3.34Å
246R32.5Very low42.2Very low216 Ų216149.9 Ų149.982%0.81576%0.761SS**  trans-65.4111.9155.7-148177.1-169.3172.92.8101.2Y244 G248Y244-R246 PolarHBondContact O-N 3.28Å; R246-G248 PolarHBondContact O-N 3.28Å
247I37.6Very low40.2Very low157 Ų157149.7 Ų149.781%0.80577%0.765SS**  trans-48.7100.5167.7-67.2176.6000105.7Y245 C249Y245-I247 PolarHBondContact O-N 3.34Å; I247-C249 PolarHBondContact O-N 2.91Å
248G36.2Very low38.3Very low58 Ų58151.2 Ų151.260%0.59877%0.772SS**  trans-86.2100.7-17100000107.7R246 S250R246-G248 PolarHBondContact O-N 3.28Å; G248-S250 PolarHBondContact O-N 3.16Å; G248-S250 VanDerWaalsContact O-N 3.14Å
249C32.1Very low37.3Very low139 Ų139158 Ų15894%0.93979%0.791SS**  trans-51.1110.6148.9-106.20000108.5I247I247-C249 PolarHBondContact O-N 2.91Å
250S39.9Very low36.7Very low103 Ų103155.7 Ų155.772%0.7280%0.795SS**  trans-132.1100166.9550000110.7G248G248-S250 PolarHBondContact O-N 3.16Å; G248-S250 VanDerWaalsContact O-N 3.14Å
251R38.9Very low36.4Very low247 Ų247152.1 Ų152.193%0.93280%0.795SS**  trans48.3114.5133.3-64.9179.1179.1-177.9-1.5119.6
252L32.8Very low36Very low163 Ų163152.3 Ų152.385%0.85380%0.799SS**  trans-33.2172.7142-74.1163.7000115.7
253P38.7Very low36.1Very low102 Ų102154.2 Ų154.266%0.66280%0.804SS**  cis-140178.8-2.626.1-0.9000116.4
254K37.8Very low36.1Very low174 Ų174151 Ų15176%0.75780%0.801SS**  trans116.2122.6142.4-68.5-170.2179.91760117.9
255R36.9Very low36.6Very low230 Ų230147.6 Ų147.687%0.86880%0.804SS**  trans70.8134.4152.9-63.8170.7176.2-167.8-2.8114
256S39Very low37.5Very low113 Ų113153.1 Ų153.179%0.7982%0.823SS**  cis-165.3147.921.438.80000109.1
257A34.5Very low37.7Very low89 Ų89150 Ų15074%0.73682%0.824SS**  trans10.5125.8153.500000119.3
258F33.7Very low37.7Very low209 Ų209149.6 Ų149.692%0.91783%0.825SS**  -159.1115.4117.4-122.7-91.5000109.8
259Q33.8Very low37.8Very low189 Ų189154.7 Ų154.788%0.88384%0.837SS**  trans-79.8142165.3-82.4169.2-6000109.8
260A38.2Very low38.1Very low106 Ų106155.6 Ų155.688%0.87683%0.831SS**  trans157.7131.6145.800000106
261G37.1Very low38Very low77 Ų77158.9 Ų158.979%0.79484%0.838SS**  cis-179.2157.89.400000106.9
262C35.3Very low38Very low109 Ų109153.1 Ų153.174%0.73683%0.832SS**  trans-55.8151.4-177-163.90000114.3
263E39.3Very low38.3Very low201 Ų201152.4 Ų152.494%0.93983%0.831SS**  trans-156.5144.6133.8-113170.9-15600111.5
264C39.5Very low38.3Very low100 Ų100156.2 Ų156.268%0.67684%0.844SS**  trans-97.9159.6-151.1-82.60000115.5
265S42.9Very low38.4Very low111 Ų111154.8 Ų154.878%0.77685%0.851SS**  trans63.6112.9135.156.40000121
266R50.2Low38.5Very low323 Ų323147.9 Ų147.9100%1.21985%0.849SS**  -154098-95.4-175.9-169.5-176.53.7109.9

Retrieved 266 of 266 residues in 184.7 ms (Link to these results)

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