A0A096MZT8_PAPAN Loading...

C-type lectin domain family 4 member C

AlphaFold DB , UniProt , Accession A0A096MZT8, Species PAPAN (Papio anubis, Olive baboon), Gene CLEC4C, Length 212 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
1M40.6Very low54.8Low245 Ų245151.9 Ų151.9100%1.20776%0.76SS**  096.70-76.7170.1-166.600107
2V49.5Very low55.9Low137 Ų137148.2 Ų148.283%0.8374%0.736SS**  trans-98.6125.4167.5178.20000104.5E4V2-E4 PolarHBondContact O-N 3.3Å
3P55.3Low57.1Low117 Ų117140 Ų14076%0.7671%0.712SS**  trans-68.7123.1177.2-5.521.1000108.1E5P3-E5 PolarHBondContact O-N 3.3Å
4E56.5Low58.3Low195 Ų195136.1 Ų136.191%0.91170%0.698SS**  trans-78.1103171-160167.2-171.800106.7V2 E6V2-E4 PolarHBondContact O-N 3.3Å; E4-E6 PolarHBondContact O-N 2.99Å
5E56.1Low59.6Low157 Ų157137.6 Ų137.673%0.73469%0.692SS**  trans-64.7128.6176.3-85.1-179.4164.300110.3P3P3-E5 PolarHBondContact O-N 3.3Å
6E54.7Low60.5Low143 Ų143138.1 Ų138.167%0.66868%0.683SS**  trans-58.5141.5-178.5-80.7-171152.700112.5E4 Q8 D9E4-E6 PolarHBondContact O-N 2.99Å; E6-Q8 PolarHBondContact O-N 3.14Å; E6-D9 PolarHBondContact O-N 3.46Å; E6-D9 VanDerWaalsContact O-N 3.14Å
7P55.6Low61.6Low110 Ų110137.8 Ų137.871%0.71468%0.677SS**Hα-helixtrans-55-26.9179.4-21.430.1000113.9D9P7-D9 VanDerWaalsContact C-N 3.32Å; P7-D9 PolarHBondContact O-N 3.44Å
8Q56.3Low62.5Low120 Ų120135.4 Ų135.456%0.56166%0.664SS**Hα-helixtrans-74.7-17.6-174.3-163167.1-8.300113.6E6 K12E6-Q8 PolarHBondContact O-N 3.14Å; Q8-K12 WeakPolarHBondContact O-CD 3.44Å; Q8-K12 WeakPolarHBondContact O-CE 3.32Å; Q8-K12 VanDerWaalsContact O-CG 3.32Å; Q8-K12 WeakPolarHBondContact O-CG 3.48Å
9D57.2Low63.6Low100 Ų100132.8 Ų132.854%0.53565%0.653SS.*Hα-helixtrans-86.4-31.2177.8-150.820.7000112.1E6 P7 K12 G13E6-D9 PolarHBondContact O-N 3.46Å; E6-D9 VanDerWaalsContact O-N 3.14Å; P7-D9 VanDerWaalsContact C-N 3.32Å; P7-D9 PolarHBondContact O-N 3.44Å; D9-K12 PolarHBondContact O-N 3.2Å; D9-G13 PolarHBondContact O-N 3.46Å
10R59.3Low64.7Low198 Ų198133 Ų13375%0.74765%0.65SS**Hα-helixtrans-68.9-40.8176.6-166.6-176.5-67.7-1710.6112.7G13 V14R10-G13 PolarHBondContact O-N 2.96Å; R10-V14 WeakPolarHBondContact O-CG2 3.42Å; R10-V14 PolarHBondContact O-N 3.37Å
11E62.3Low65.8Low149 Ų149129.9 Ų129.970%0.69664%0.639SS**Hα-helixtrans-64.6-38.1175.6-86.7-173.5151.900112.6V14 W15E11-V14 PolarHBondContact O-N 3.18Å; E11-W15 WeakPolarHBondContact O-CB 3.49Å; E11-W15 PolarHBondContact O-N 3.33Å
12K67.1Low68Low107 Ų107126.4 Ų126.447%0.46561%0.612SS.*Hα-helixtrans-61.3-45.4174.5-70.1171.6-171.41700110.5Q8 D9 V14 W15 W16Q8-K12 WeakPolarHBondContact O-CD 3.44Å; Q8-K12 WeakPolarHBondContact O-CE 3.32Å; Q8-K12 VanDerWaalsContact O-CG 3.32Å; Q8-K12 WeakPolarHBondContact O-CG 3.48Å; D9-K12 PolarHBondContact O-N 3.2Å; K12-V14 PolarHBondContact O-N 2.89Å; K12-W15 PolarHBondContact O-N 3.33Å; K12-W16 WeakPolarHBondContact O-CB 3.4Å; K12-W16 PolarHBondContact O-N 2.94Å
13G71.8Confident69.9Low42 Ų42122.7 Ų122.743%0.43359%0.593SS.*Hα-helixtrans-58.5-42.9177.200000113.7D9 R10 F17D9-G13 PolarHBondContact O-N 3.46Å; R10-G13 PolarHBondContact O-N 2.96Å; G13-F17 WeakPolarHBondContact O-CB 3.36Å; G13-F17 PolarHBondContact O-N 3.5Å
14V73.9Confident71.6Confident85 Ų85121.5 Ų121.552%0.51558%0.583SS.*Hα-helixtrans-66.1-42.2175.81760000111.3R10 E11 K12 F17 Q18R10-V14 WeakPolarHBondContact O-CG2 3.42Å; R10-V14 PolarHBondContact O-N 3.37Å; E11-V14 PolarHBondContact O-N 3.18Å; K12-V14 PolarHBondContact O-N 2.89Å; V14-F17 PolarHBondContact O-N 3.44Å; V14-Q18 HydrophobicContact CG1-CG 4.41Å; V14-Q18 WeakPolarHBondContact O-CB 3.36Å; V14-Q18 VanDerWaalsContact O-CG 3.29Å; V14-Q18 WeakPolarHBondContact O-CG 3.29Å; V14-Q18 PolarHBondContact O-N 3.24Å
15W77.1Confident73.3Confident159 Ų159114.2 Ų114.260%0.60256%0.556SS**Hα-helixtrans-63.7-43.9177-170.684.6000112.1E11 K12 F17 Q18 L19E11-W15 WeakPolarHBondContact O-CB 3.49Å; E11-W15 PolarHBondContact O-N 3.33Å; K12-W15 PolarHBondContact O-N 3.33Å; W15-F17 PolarHBondContact O-N 2.88Å; W15-Q18 PolarHBondContact O-N 3.43Å; W15-L19 HydrophobicContact CH2-CD2 4.34Å; W15-L19 HydrophobicContact CZ3-CD2 4.17Å; W15-L19 WeakPolarHBondContact O-CB 3.47Å; W15-L19 PolarHBondContact O-N 2.88Å
16W74.8Confident75.1Confident146 Ų146110.4 Ų110.455%0.55354%0.543SS*.Hα-helixtrans-64.8-36.6174.4-78.5111.8000112.9K12 L19 K20K12-W16 WeakPolarHBondContact O-CB 3.4Å; K12-W16 PolarHBondContact O-N 2.94Å; W16-L19 HydrophobicContact CE3-CD2 4.13Å; W16-L19 HydrophobicContact CZ3-CD2 4.16Å; W16-K20 WeakPolarHBondContact O-CG 3.35Å; W16-K20 PolarHBondContact O-N 3.5Å
17F78.3Confident76.9Confident133 Ų133107.6 Ų107.658%0.58354%0.536SS*.Hα-helixtrans-67.8-46.8175.3-176.7-98.5000111.6G13 V14 W15 L19 K20 V21G13-F17 WeakPolarHBondContact O-CB 3.36Å; G13-F17 PolarHBondContact O-N 3.5Å; V14-F17 PolarHBondContact O-N 3.44Å; W15-F17 PolarHBondContact O-N 2.88Å; F17-L19 PolarHBondContact O-N 2.91Å; F17-K20 PolarHBondContact O-N 3.13Å; F17-V21 HydrophobicContact CD1-CG2 4.16Å; F17-V21 HydrophobicContact CE1-CG2 3.81Å; F17-V21 HydrophobicContact CE2-CG2 4.5Å; F17-V21 HydrophobicContact CZ-CG2 4Å; F17-V21 WeakPolarHBondContact O-CG2 3.33Å; F17-V21 PolarHBondContact O-N 3.24Å
18Q79Confident78.7Confident94 Ų94105 Ų10544%0.43952%0.52SS..Hα-helixtrans-57.4-49.2173.8-74.3-72.3-21.300110.7V14 W15 K20 V21 W22V14-Q18 HydrophobicContact CG1-CG 4.41Å; V14-Q18 WeakPolarHBondContact O-CB 3.36Å; V14-Q18 VanDerWaalsContact O-CG 3.29Å; V14-Q18 WeakPolarHBondContact O-CG 3.29Å; V14-Q18 PolarHBondContact O-N 3.24Å; W15-Q18 PolarHBondContact O-N 3.43Å; Q18-K20 VanDerWaalsContact C-N 3.29Å; Q18-K20 PolarHBondContact O-N 2.94Å; Q18-V21 PolarHBondContact O-N 3.06Å; Q18-V21 VanDerWaalsContact O-N 3.13Å; Q18-W22 PolarHBondContact O-N 3.48Å
19L83.2Confident80.4Confident86 Ų86104.1 Ų104.145%0.4552%0.518SS..Hα-helixtrans-56.3-42.3177.6-167.676000112.2W15 W16 F17 S23W15-L19 HydrophobicContact CH2-CD2 4.34Å; W15-L19 HydrophobicContact CZ3-CD2 4.17Å; W15-L19 WeakPolarHBondContact O-CB 3.47Å; W15-L19 PolarHBondContact O-N 2.88Å; W16-L19 HydrophobicContact CE3-CD2 4.13Å; W16-L19 HydrophobicContact CZ3-CD2 4.16Å; F17-L19 PolarHBondContact O-N 2.91Å; L19-S23 VanDerWaalsContact O-CB 3.28Å; L19-S23 WeakPolarHBondContact O-CB 3.34Å; L19-S23 PolarHBondContact O-N 3.32Å; L19-S23 PolarHBondContact O-OG 3.47Å
20K85.5Confident82.2Confident136 Ų136104.3 Ų104.359%0.59152%0.519SS*.Hα-helixtrans-64.3-46.3175.2-77.2179.1-178-179.20112.2W16 F17 Q18 S23 V24W16-K20 WeakPolarHBondContact O-CG 3.35Å; W16-K20 PolarHBondContact O-N 3.5Å; F17-K20 PolarHBondContact O-N 3.13Å; Q18-K20 VanDerWaalsContact C-N 3.29Å; Q18-K20 PolarHBondContact O-N 2.94Å; K20-S23 WeakPolarHBondContact CA-OG 3.42Å; K20-S23 PolarHBondContact O-N 3.29Å; K20-S23 PolarHBondContact O-OG 2.92Å; K20-V24 WeakPolarHBondContact O-CG2 3.29Å; K20-V24 PolarHBondContact O-N 2.96Å
21V87.9Confident83.9Confident69 Ų69100 Ų10042%0.41851%0.51SS..Hα-helixtrans-61.9-45.9178.91720000111F17 Q18 S23 V24 A25F17-V21 HydrophobicContact CD1-CG2 4.16Å; F17-V21 HydrophobicContact CE1-CG2 3.81Å; F17-V21 HydrophobicContact CE2-CG2 4.5Å; F17-V21 HydrophobicContact CZ-CG2 4Å; F17-V21 WeakPolarHBondContact O-CG2 3.33Å; F17-V21 PolarHBondContact O-N 3.24Å; Q18-V21 PolarHBondContact O-N 3.06Å; Q18-V21 VanDerWaalsContact O-N 3.13Å; V21-S23 PolarHBondContact O-N 3.48Å; V21-V24 PolarHBondContact O-N 2.88Å; V21-A25 WeakPolarHBondContact O-CB 3.45Å; V21-A25 PolarHBondContact O-N 3.35Å
22W87.3Confident85.4Confident171 Ų17199 Ų9965%0.64851%0.508SS*.Hα-helixtrans-63.6-39.9175-77.5100.6000112.1Q18 V24 A25 V26Q18-W22 PolarHBondContact O-N 3.48Å; W22-V24 VanDerWaalsContact C-N 3.35Å; W22-V24 PolarHBondContact O-N 3.47Å; W22-A25 PolarHBondContact O-N 2.88Å; W22-V26 WeakPolarHBondContact O-CB 3.16Å; W22-V26 VanDerWaalsContact O-CG2 3.26Å; W22-V26 WeakPolarHBondContact O-CG2 3.39Å; W22-V26 PolarHBondContact O-N 2.9Å
23S89.2Confident86.7Confident60 Ų6097.1 Ų97.142%0.4251%0.508SS..Hα-helixtrans-62.8-41.917676.50000112L19 K20 V21 V26 V27L19-S23 VanDerWaalsContact O-CB 3.28Å; L19-S23 WeakPolarHBondContact O-CB 3.34Å; L19-S23 PolarHBondContact O-N 3.32Å; L19-S23 PolarHBondContact O-OG 3.47Å; K20-S23 WeakPolarHBondContact CA-OG 3.42Å; K20-S23 PolarHBondContact O-N 3.29Å; K20-S23 PolarHBondContact O-OG 2.92Å; V21-S23 PolarHBondContact O-N 3.48Å; S23-V26 PolarHBondContact O-N 2.73Å; S23-V27 WeakPolarHBondContact O-CB 3.21Å; S23-V27 WeakPolarHBondContact O-CG2 3.44Å; S23-V27 PolarHBondContact O-N 2.91Å
24V90.9Very high87.9Confident92 Ų9299.1 Ų99.156%0.55851%0.512SS*.Hα-helixtrans-67.5-41178173.90000110.5K20 V21 W22 V27 S28K20-V24 WeakPolarHBondContact O-CG2 3.29Å; K20-V24 PolarHBondContact O-N 2.96Å; V21-V24 PolarHBondContact O-N 2.88Å; W22-V24 VanDerWaalsContact C-N 3.35Å; W22-V24 PolarHBondContact O-N 3.47Å; V24-V27 PolarHBondContact O-N 2.69Å; V24-S28 WeakPolarHBondContact O-CB 3.28Å; V24-S28 PolarHBondContact O-N 3.42Å; V24-S28 PolarHBondContact O-OG 3.24Å
25A90.9Very high88.8Confident42 Ų4298.7 Ų98.735%0.34751%0.512SS..Hα-helixtrans-63.6-45.8176.800000111.8V21 W22 S28 I29V21-A25 WeakPolarHBondContact O-CB 3.45Å; V21-A25 PolarHBondContact O-N 3.35Å; W22-A25 PolarHBondContact O-N 2.88Å; A25-S28 PolarHBondContact O-N 3.29Å; A25-I29 VanDerWaalsContact O-CG1 3.29Å; A25-I29 WeakPolarHBondContact O-CG1 3.28Å; A25-I29 PolarHBondContact O-N 2.93Å
26V93.7Very high89.6Confident77 Ų7798.2 Ų98.247%0.46751%0.514SS..Hα-helixtrans-62.4-46.1176.9170.70000110.9W22 S23 S28 I29 L30W22-V26 WeakPolarHBondContact O-CB 3.16Å; W22-V26 VanDerWaalsContact O-CG2 3.26Å; W22-V26 WeakPolarHBondContact O-CG2 3.39Å; W22-V26 PolarHBondContact O-N 2.9Å; S23-V26 PolarHBondContact O-N 2.73Å; V26-S28 VanDerWaalsContact C-N 3.31Å; V26-S28 PolarHBondContact O-N 3.42Å; V26-I29 PolarHBondContact O-N 2.94Å; V26-L30 HydrophobicContact CG1-CD1 3.94Å; V26-L30 HydrophobicContact CG1-CG 4.41Å; V26-L30 WeakPolarHBondContact O-CB 3.26Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.45Å; V26-L30 PolarHBondContact O-N 3.34Å
27V93.5Very high90.5Very high83 Ų8394.9 Ų94.950%0.50351%0.51SS..Hα-helixtrans-60.4-42.6176.6170.50000111S23 V24 L30 L31S23-V27 WeakPolarHBondContact O-CB 3.21Å; S23-V27 WeakPolarHBondContact O-CG2 3.44Å; S23-V27 PolarHBondContact O-N 2.91Å; V24-V27 PolarHBondContact O-N 2.69Å; V27-L30 PolarHBondContact O-N 3.01Å; V27-L31 HydrophobicContact CG1-CD1 4.09Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.37Å
28S92.4Very high91.3Very high55 Ų5592.7 Ų92.739%0.38551%0.508SS..Hα-helixtrans-64.7-43.3178.8-57.80000112.2V24 A25 V26 L31 L32V24-S28 WeakPolarHBondContact O-CB 3.28Å; V24-S28 PolarHBondContact O-N 3.42Å; V24-S28 PolarHBondContact O-OG 3.24Å; A25-S28 PolarHBondContact O-N 3.29Å; V26-S28 VanDerWaalsContact C-N 3.31Å; V26-S28 PolarHBondContact O-N 3.42Å; S28-L31 PolarHBondContact O-N 2.97Å; S28-L32 WeakPolarHBondContact O-CG 3.46Å; S28-L32 PolarHBondContact O-N 3.38Å
29I93.9Very high91.9Very high102 Ų10291.5 Ų91.552%0.52351%0.51SS..Hα-helixtrans-63.5-44176.4-69.3165.6000110.5A25 V26 L31 L32 C33A25-I29 VanDerWaalsContact O-CG1 3.29Å; A25-I29 WeakPolarHBondContact O-CG1 3.28Å; A25-I29 PolarHBondContact O-N 2.93Å; V26-I29 PolarHBondContact O-N 2.94Å; I29-L31 VanDerWaalsContact C-N 3.34Å; I29-L31 PolarHBondContact O-N 3.3Å; I29-L32 PolarHBondContact O-N 3.46Å; I29-C33 WeakPolarHBondContact O-CB 3.44Å; I29-C33 PolarHBondContact O-N 2.9Å; I29-C33 PolarHBondContact O-SG 3.3Å
30L94.2Very high92.2Very high105 Ų10590.5 Ų90.555%0.5551%0.51SS..Hα-helixtrans-61-43.2177.1-71.7171.7000111.6V26 V27 C33 V34V26-L30 HydrophobicContact CG1-CD1 3.94Å; V26-L30 HydrophobicContact CG1-CG 4.41Å; V26-L30 WeakPolarHBondContact O-CB 3.26Å; V26-L30 VanDerWaalsContact O-CG 3.28Å; V26-L30 WeakPolarHBondContact O-CG 3.45Å; V26-L30 PolarHBondContact O-N 3.34Å; V27-L30 PolarHBondContact O-N 3.01Å; L30-C33 PolarHBondContact O-N 3.34Å; L30-V34 VanDerWaalsContact O-CG2 3.27Å; L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 3.29Å
31L94.3Very high92.6Very high108 Ų10888 Ų8857%0.56551%0.506SS*.Hα-helixtrans-61.8-44.9176-72.9171.7000111.9V27 S28 I29 V34 C35V27-L31 HydrophobicContact CG1-CD1 4.09Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.37Å; S28-L31 PolarHBondContact O-N 2.97Å; I29-L31 VanDerWaalsContact C-N 3.34Å; I29-L31 PolarHBondContact O-N 3.3Å; L31-V34 PolarHBondContact O-N 3.31Å; L31-C35 PolarHBondContact O-N 3.27Å; L31-C35 PolarHBondContact O-SG 2.95Å
32L94.6Very high92.7Very high126 Ų12687.4 Ų87.466%0.6651%0.508SS*.Hα-helixtrans-63.1-42.3176.7-71.3174.1000112.2S28 I29 V34 C35 F36S28-L32 WeakPolarHBondContact O-CG 3.46Å; S28-L32 PolarHBondContact O-N 3.38Å; I29-L32 PolarHBondContact O-N 3.46Å; L32-V34 VanDerWaalsContact C-N 3.34Å; L32-V34 PolarHBondContact O-N 2.86Å; L32-C35 PolarHBondContact O-N 3.23Å; L32-F36 WeakPolarHBondContact O-CB 3.27Å; L32-F36 PolarHBondContact O-N 3.37Å
33C94.9Very high92.7Very high69 Ų6982.7 Ų82.747%0.46650%0.501SS..Hα-helixtrans-59.6-45.5174.3-740000111.2I29 L30 F36 T37I29-C33 WeakPolarHBondContact O-CB 3.44Å; I29-C33 PolarHBondContact O-N 2.9Å; I29-C33 PolarHBondContact O-SG 3.3Å; L30-C33 PolarHBondContact O-N 3.34Å; C33-F36 PolarHBondContact O-N 3.49Å; C33-T37 WeakPolarHBondContact O-CG2 3.37Å; C33-T37 PolarHBondContact O-N 2.91Å; C33-T37 PolarHBondContact O-OG1 3.44Å
34V95.3Very high92.5Very high83 Ų8385.9 Ų85.950%0.50351%0.509SS..Hα-helixtrans-62.7-43.4176.1171.70000111.2L30 L31 L32 F36 T37 V38L30-V34 VanDerWaalsContact O-CG2 3.27Å; L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 3.29Å; L31-V34 PolarHBondContact O-N 3.31Å; L32-V34 VanDerWaalsContact C-N 3.34Å; L32-V34 PolarHBondContact O-N 2.86Å; V34-F36 VanDerWaalsContact C-N 3.34Å; V34-F36 PolarHBondContact O-N 2.92Å; V34-T37 PolarHBondContact O-N 2.74Å; V34-T37 PolarHBondContact O-OG1 3.48Å; V34-V38 HydrophobicContact CG1-CG2 4.24Å; V34-V38 WeakPolarHBondContact O-CB 3.38Å; V34-V38 WeakPolarHBondContact O-CG2 3.26Å; V34-V38 PolarHBondContact O-N 3.34Å
35C94.6Very high92.3Very high76 Ų7685.8 Ų85.851%0.51451%0.506SS..Hα-helixtrans-61.7-42.1176.7-72.50000112.2L31 L32 S39L31-C35 PolarHBondContact O-N 3.27Å; L31-C35 PolarHBondContact O-SG 2.95Å; L32-C35 PolarHBondContact O-N 3.23Å; C35-S39 VanDerWaalsContact O-CB 3.31Å; C35-S39 WeakPolarHBondContact O-CB 3.41Å; C35-S39 PolarHBondContact O-N 3.47Å; C35-S39 PolarHBondContact O-OG 2.99Å
36F94Very high92Very high149 Ų14990.6 Ų90.665%0.65452%0.519SS*.Hα-helixtrans-65-46.4177.9179.8-99.6000111.7L32 C33 V34 S39 S40L32-F36 WeakPolarHBondContact O-CB 3.27Å; L32-F36 PolarHBondContact O-N 3.37Å; C33-F36 PolarHBondContact O-N 3.49Å; V34-F36 VanDerWaalsContact C-N 3.34Å; V34-F36 PolarHBondContact O-N 2.92Å; F36-S39 PolarHBondContact O-N 2.96Å; F36-S40 WeakPolarHBondContact O-CB 3.31Å; F36-S40 PolarHBondContact O-N 2.89Å
37T93.3Very high91.4Very high76 Ų7691.8 Ų91.847%0.46652%0.52SS..Hα-helixtrans-64.4-43.7178.557.10000111.8C33 V34 S39 S40 V41C33-T37 WeakPolarHBondContact O-CG2 3.37Å; C33-T37 PolarHBondContact O-N 2.91Å; C33-T37 PolarHBondContact O-OG1 3.44Å; V34-T37 PolarHBondContact O-N 2.74Å; V34-T37 PolarHBondContact O-OG1 3.48Å; T37-S39 PolarHBondContact O-N 2.94Å; T37-S40 PolarHBondContact O-N 3.41Å; T37-V41 WeakPolarHBondContact O-CB 3.37Å; T37-V41 VanDerWaalsContact O-CG2 3.26Å; T37-V41 WeakPolarHBondContact O-CG2 3.21Å; T37-V41 PolarHBondContact O-N 2.9Å
38V94.1Very high90.9Very high88 Ų8895 Ų9553%0.53352%0.524SS..Hα-helixtrans-59.8-45.9175.5170.90000111V34 S40 V41 A42V34-V38 HydrophobicContact CG1-CG2 4.24Å; V34-V38 WeakPolarHBondContact O-CB 3.38Å; V34-V38 WeakPolarHBondContact O-CG2 3.26Å; V34-V38 PolarHBondContact O-N 3.34Å; V38-S40 PolarHBondContact O-N 3.43Å; V38-V41 PolarHBondContact O-N 3.34Å; V38-A42 VanDerWaalsContact O-CB 3.28Å; V38-A42 WeakPolarHBondContact O-CB 3.4Å; V38-A42 PolarHBondContact O-N 3.38Å
39S91.8Very high90.5Very high69 Ų6994.7 Ų94.748%0.48352%0.523SS..Hα-helixtrans-64.3-41179.4-58.60000112.2C35 F36 T37 A42 S43C35-S39 VanDerWaalsContact O-CB 3.31Å; C35-S39 WeakPolarHBondContact O-CB 3.41Å; C35-S39 PolarHBondContact O-N 3.47Å; C35-S39 PolarHBondContact O-OG 2.99Å; F36-S39 PolarHBondContact O-N 2.96Å; T37-S39 PolarHBondContact O-N 2.94Å; S39-A42 PolarHBondContact O-N 3.49Å; S39-S43 WeakPolarHBondContact O-CB 3.28Å; S39-S43 PolarHBondContact O-N 3.5Å; S39-S43 PolarHBondContact O-OG 3.39Å
40S89.9Confident90Very high64 Ų6492.9 Ų92.945%0.44851%0.511SS..Hα-helixtrans-66.3-44.1177.1-167.70000111.8F36 T37 V38 S43 H44F36-S40 WeakPolarHBondContact O-CB 3.31Å; F36-S40 PolarHBondContact O-N 2.89Å; T37-S40 PolarHBondContact O-N 3.41Å; V38-S40 PolarHBondContact O-N 3.43Å; S40-S43 PolarHBondContact O-N 2.87Å; S40-H44 WeakPolarHBondContact O-CB 3.1Å; S40-H44 PolarHBondContact O-N 2.94Å
41V93.3Very high89.4Confident85 Ų8591.4 Ų91.452%0.51551%0.506SS..Hα-helixtrans-64.5-43176.9169.50000110.7T37 V38 S43 H44 N45T37-V41 WeakPolarHBondContact O-CB 3.37Å; T37-V41 VanDerWaalsContact O-CG2 3.26Å; T37-V41 WeakPolarHBondContact O-CG2 3.21Å; T37-V41 PolarHBondContact O-N 2.9Å; V38-V41 PolarHBondContact O-N 3.34Å; V41-S43 PolarHBondContact O-N 3.11Å; V41-H44 PolarHBondContact O-N 2.79Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.34Å; V41-N45 WeakPolarHBondContact O-CB 3.39Å; V41-N45 VanDerWaalsContact O-CG 3.32Å; V41-N45 PolarHBondContact O-N 2.95Å; V41-N45 PolarHBondContact O-ND2 3.34Å; V41-N45 VanDerWaalsContact O-ND2 3.11Å
42A90.9Very high88.9Confident56 Ų5689.2 Ų89.246%0.46350%0.498SS..Hα-helixtrans-60.4-45.4175.900000111.6V38 S39 N45 F46V38-A42 VanDerWaalsContact O-CB 3.28Å; V38-A42 WeakPolarHBondContact O-CB 3.4Å; V38-A42 PolarHBondContact O-N 3.38Å; S39-A42 PolarHBondContact O-N 3.49Å; A42-N45 PolarHBondContact O-N 2.96Å; A42-F46 WeakPolarHBondContact O-CB 3.25Å; A42-F46 PolarHBondContact O-N 2.8Å
43S86.5Confident88.4Confident72 Ų7289.9 Ų89.950%0.50350%0.495SS..Hα-helixtrans-63.5-43.9178.2-57.60000111.9S39 S40 V41 F46 M47S39-S43 WeakPolarHBondContact O-CB 3.28Å; S39-S43 PolarHBondContact O-N 3.5Å; S39-S43 PolarHBondContact O-OG 3.39Å; S40-S43 PolarHBondContact O-N 2.87Å; V41-S43 PolarHBondContact O-N 3.11Å; S43-F46 PolarHBondContact O-N 2.91Å; S43-M47 WeakPolarHBondContact O-CG 3.37Å; S43-M47 PolarHBondContact O-N 3.39Å
44H86Confident87.6Confident126 Ų12688.9 Ų88.958%0.58348%0.482SS*.Hα-helixtrans-63.1-46.2176.7-176.4-86.7000111.7S40 V41 F46 M47 Y48S40-H44 WeakPolarHBondContact O-CB 3.1Å; S40-H44 PolarHBondContact O-N 2.94Å; V41-H44 PolarHBondContact O-N 2.79Å; H44-F46 VanDerWaalsContact C-N 3.31Å; H44-F46 PolarHBondContact O-N 2.67Å; H44-M47 PolarHBondContact O-N 3.37Å; H44-Y48 VanDerWaalsContact O-CB 3.23Å; H44-Y48 WeakPolarHBondContact O-CB 3.36Å; H44-Y48 PolarHBondContact O-N 2.89Å
45N85.6Confident86.9Confident91 Ų9189.8 Ų89.849%0.48748%0.483SS..Hα-helixtrans-62.8-37.8176.8-75.5-36.5000112.2V41 A42 S49V41-N45 WeakPolarHBondContact CG1-ND2 3.34Å; V41-N45 WeakPolarHBondContact O-CB 3.39Å; V41-N45 VanDerWaalsContact O-CG 3.32Å; V41-N45 PolarHBondContact O-N 2.95Å; V41-N45 PolarHBondContact O-ND2 3.34Å; V41-N45 VanDerWaalsContact O-ND2 3.11Å; A42-N45 PolarHBondContact O-N 2.96Å; N45-S49 VanDerWaalsContact O-CB 3.25Å; N45-S49 WeakPolarHBondContact O-CB 3.46Å; N45-S49 PolarHBondContact O-N 3.4Å
46F85.6Confident86.4Confident143 Ų14389.5 Ų89.563%0.62748%0.482SS*.Hα-helixtrans-64.3-49175.4179.2-99.6000111.8A42 S43 H44 S49 K50A42-F46 WeakPolarHBondContact O-CB 3.25Å; A42-F46 PolarHBondContact O-N 2.8Å; S43-F46 PolarHBondContact O-N 2.91Å; H44-F46 VanDerWaalsContact C-N 3.31Å; H44-F46 PolarHBondContact O-N 2.67Å; F46-S49 PolarHBondContact O-N 3.47Å; F46-K50 PolarHBondContact O-N 2.6Å
47M80.3Confident85.8Confident101 Ų10186.2 Ų86.250%0.49847%0.467SS..Hα-helixtrans-62.6-44176.6-70.9-63.2-7900111.7S43 H44 S49 K50 T51S43-M47 WeakPolarHBondContact O-CG 3.37Å; S43-M47 PolarHBondContact O-N 3.39Å; H44-M47 PolarHBondContact O-N 3.37Å; M47-S49 PolarHBondContact O-N 3.31Å; M47-K50 PolarHBondContact O-N 3.4Å; M47-T51 PolarHBondContact O-N 2.94Å; M47-T51 PolarHBondContact O-OG1 3.44Å; M47-T51 VanDerWaalsContact O-OG1 3.09Å
48Y83.8Confident85Confident150 Ų15084.7 Ų84.759%0.58846%0.456SS*.Hα-helixtrans-59.2-46.6175.1-178.9-101.5000111.3H44 K50 T51 V52H44-Y48 VanDerWaalsContact O-CB 3.23Å; H44-Y48 WeakPolarHBondContact O-CB 3.36Å; H44-Y48 PolarHBondContact O-N 2.89Å; Y48-K50 VanDerWaalsContact C-N 3.33Å; Y48-K50 PolarHBondContact O-N 3.25Å; Y48-T51 PolarHBondContact O-N 3.48Å; Y48-V52 HydrophobicContact CD1-CG2 4.13Å; Y48-V52 HydrophobicContact CD2-CG2 4.39Å; Y48-V52 HydrophobicContact CE1-CG2 3.72Å; Y48-V52 HydrophobicContact CE2-CG2 4.01Å; Y48-V52 HydrophobicContact CG-CG2 4.45Å; Y48-V52 WeakPolarHBondContact O-CG2 2.85Å; Y48-V52 PolarHBondContact O-N 3.23Å
49S83.9Confident84.4Confident50 Ų5087.1 Ų87.135%0.3546%0.461SS..Hα-helixtrans-59.2-42.7175.6-1740000112.1N45 F46 M47 V52 K53N45-S49 VanDerWaalsContact O-CB 3.25Å; N45-S49 WeakPolarHBondContact O-CB 3.46Å; N45-S49 PolarHBondContact O-N 3.4Å; F46-S49 PolarHBondContact O-N 3.47Å; M47-S49 PolarHBondContact O-N 3.31Å; S49-V52 PolarHBondContact O-N 3.43Å; S49-K53 VanDerWaalsContact O-CG 3.31Å; S49-K53 WeakPolarHBondContact O-CG 3.23Å; S49-K53 PolarHBondContact O-N 2.85Å
50K83.4Confident84Confident63 Ų6390.2 Ų90.227%0.27447%0.468SS..Hα-helixtrans-61.3-47.6176.3-170.5174.3-178.6173.70111.1F46 M47 Y48 K53 R54 E78F46-K50 PolarHBondContact O-N 2.6Å; M47-K50 PolarHBondContact O-N 3.4Å; Y48-K50 VanDerWaalsContact C-N 3.33Å; Y48-K50 PolarHBondContact O-N 3.25Å; K50-K53 PolarHBondContact O-N 3.09Å; K50-R54 WeakPolarHBondContact O-CG 3.47Å; K50-R54 PolarHBondContact O-N 2.94Å; K50-R54 VanDerWaalsContact O-N 3.08Å; K50-E78 IonicContact NZ-OE2 2.65Å; K50-E78 PolarHBondContact NZ-OE2 2.97Å
51T80.9Confident83.7Confident74 Ų7490.5 Ų90.545%0.45446%0.46SS..Hα-helixtrans-62.8-43.7178.4-57.60000112.3M47 Y48 K53 R54 L55M47-T51 PolarHBondContact O-N 2.94Å; M47-T51 PolarHBondContact O-OG1 3.44Å; M47-T51 VanDerWaalsContact O-OG1 3.09Å; Y48-T51 PolarHBondContact O-N 3.48Å; T51-K53 PolarHBondContact O-N 2.82Å; T51-R54 WeakPolarHBondContact O-CB 3.44Å; T51-R54 PolarHBondContact O-N 2.93Å; T51-L55 HydrophobicContact CG2-CD1 4.13Å; T51-L55 WeakPolarHBondContact O-CG 3.32Å; T51-L55 PolarHBondContact O-N 2.59Å
52V84.5Confident82.9Confident63 Ų6392.3 Ų92.338%0.38246%0.463SS..Hα-helixtrans-63.4-42.6178.3171.40000111.2Y48 S49 R54 L55 S56Y48-V52 HydrophobicContact CD1-CG2 4.13Å; Y48-V52 HydrophobicContact CD2-CG2 4.39Å; Y48-V52 HydrophobicContact CE1-CG2 3.72Å; Y48-V52 HydrophobicContact CE2-CG2 4.01Å; Y48-V52 HydrophobicContact CG-CG2 4.45Å; Y48-V52 WeakPolarHBondContact O-CG2 2.85Å; Y48-V52 PolarHBondContact O-N 3.23Å; S49-V52 PolarHBondContact O-N 3.43Å; V52-R54 VanDerWaalsContact C-N 3.3Å; V52-R54 PolarHBondContact O-N 3.48Å; V52-L55 PolarHBondContact O-N 3.41Å; V52-S56 PolarHBondContact O-N 3.04Å; V52-S56 PolarHBondContact O-OG 3.39Å
53K83.6Confident82Confident140 Ų14098.1 Ų98.161%0.60948%0.481SS*.Hα-helixtrans-61.8-36.8175.6-73.1177.3-173.3-178.90112.7S49 K50 T51 S56 K57S49-K53 VanDerWaalsContact O-CG 3.31Å; S49-K53 WeakPolarHBondContact O-CG 3.23Å; S49-K53 PolarHBondContact O-N 2.85Å; K50-K53 PolarHBondContact O-N 3.09Å; T51-K53 PolarHBondContact O-N 2.82Å; K53-S56 WeakPolarHBondContact CA-OG 3.18Å; K53-S56 PolarHBondContact O-OG 3.38Å; K53-K57 WeakPolarHBondContact O-CB 3.28Å; K53-K57 PolarHBondContact O-N 3.35Å; K53-K57 VanDerWaalsContact O-N 3.09Å
54R78Confident81.6Confident48 Ų48100.2 Ų100.218%0.18148%0.478CS..Hα-helixtrans-64.8-48.4175-75-178.1166.5178.4-3.8111.8K50 T51 V52 S56 K57 L58 E78 I212K50-R54 WeakPolarHBondContact O-CG 3.47Å; K50-R54 PolarHBondContact O-N 2.94Å; K50-R54 VanDerWaalsContact O-N 3.08Å; T51-R54 WeakPolarHBondContact O-CB 3.44Å; T51-R54 PolarHBondContact O-N 2.93Å; V52-R54 VanDerWaalsContact C-N 3.3Å; V52-R54 PolarHBondContact O-N 3.48Å; R54-S56 VanDerWaalsContact C-N 3.35Å; R54-S56 PolarHBondContact O-N 3.41Å; R54-K57 PolarHBondContact O-N 2.74Å; R54-L58 WeakPolarHBondContact O-CB 3.34Å; R54-L58 PolarHBondContact O-N 3.47Å; R54-E78 PolarHBondContact NH1-O 2.92Å; R54-E78 PolarHBondContact NH2-O 3.21Å; R54-I212 HydrophobicContact CB-CG2 3.54Å; R54-I212 WeakPolarHBondContact CD-OXT 3.45Å; R54-I212 HydrophobicContact CG-CG2 3.59Å; R54-I212 VanDerWaalsContact CG-OXT 3.28Å; R54-I212 WeakPolarHBondContact CG-OXT 3.23Å; R54-I212 PolarHBondContact NE-OXT 2.89Å; R54-I212 PolarHBondContact NH2-O 3.22Å; R54-I212 PolarHBondContact NH2-OXT 3.36Å
55L80.8Confident81.5Confident101 Ų10195.2 Ų95.253%0.52945%0.454SS..Hα-helixtrans-63.1-40.9178.7-70.5172.1000111.7T51 V52 K57 L58 Q59T51-L55 HydrophobicContact CG2-CD1 4.13Å; T51-L55 WeakPolarHBondContact O-CG 3.32Å; T51-L55 PolarHBondContact O-N 2.59Å; V52-L55 PolarHBondContact O-N 3.41Å; L55-K57 PolarHBondContact O-N 3.49Å; L55-L58 WeakPolarHBondContact O-CB 3.43Å; L55-L58 PolarHBondContact O-N 2.88Å; L55-Q59 WeakPolarHBondContact O-CB 3.34Å; L55-Q59 PolarHBondContact O-N 2.89Å
56S83.9Confident81.2Confident70 Ų7097 Ų9749%0.4947%0.471SS..Hα-helixtrans-63.9-41.5176.264.80000112.1V52 K53 R54 Q59 E60V52-S56 PolarHBondContact O-N 3.04Å; V52-S56 PolarHBondContact O-OG 3.39Å; K53-S56 WeakPolarHBondContact CA-OG 3.18Å; K53-S56 PolarHBondContact O-OG 3.38Å; R54-S56 VanDerWaalsContact C-N 3.35Å; R54-S56 PolarHBondContact O-N 3.41Å; S56-Q59 PolarHBondContact O-N 3.47Å; S56-E60 PolarHBondContact O-N 3.23Å
57K80.9Confident81.4Confident80 Ų8093 Ų9335%0.34846%0.46SS..Hα-helixtrans-65.1-42.5176.5-169.6175.5-174-177.50111.5K53 R54 L55 Q59 E60 Y61 Y211K53-K57 WeakPolarHBondContact O-CB 3.28Å; K53-K57 PolarHBondContact O-N 3.35Å; K53-K57 VanDerWaalsContact O-N 3.09Å; R54-K57 PolarHBondContact O-N 2.74Å; L55-K57 PolarHBondContact O-N 3.49Å; K57-Q59 VanDerWaalsContact C-N 3.31Å; K57-Q59 PolarHBondContact O-N 2.82Å; K57-E60 WeakPolarHBondContact O-CB 3.31Å; K57-E60 PolarHBondContact O-N 3.48Å; K57-Y61 HydrophobicContact CD-CE2 4.47Å; K57-Y61 HydrophobicContact CG-CD2 4.16Å; K57-Y61 HydrophobicContact CG-CE2 3.83Å; K57-Y61 WeakPolarHBondContact O-CD2 3.42Å; K57-Y61 PolarHBondContact O-N 3.08Å; K57-Y211 WeakPolarHBondContact CE-O 3.29Å; K57-Y211 PolarHBondContact NZ-O 3.41Å
58L78.4Confident81.9Confident45 Ų4589.8 Ų89.824%0.23645%0.445CS..Hα-helixtrans-58.7-44173-88.4166.9000112R54 L55 E60 Y61 Q62 L68 I212R54-L58 WeakPolarHBondContact O-CB 3.34Å; R54-L58 PolarHBondContact O-N 3.47Å; L55-L58 WeakPolarHBondContact O-CB 3.43Å; L55-L58 PolarHBondContact O-N 2.88Å; L58-E60 VanDerWaalsContact C-N 3.33Å; L58-E60 PolarHBondContact O-N 2.98Å; L58-Y61 PolarHBondContact O-N 3.38Å; L58-Q62 WeakPolarHBondContact O-CG 3.41Å; L58-Q62 PolarHBondContact O-N 3.31Å; L58-L68 HydrophobicContact CD2-CD1 3.85Å; L58-I212 HydrophobicContact CD1-CD1 4.19Å; L58-I212 HydrophobicContact CD1-CG2 4.26Å; L58-I212 HydrophobicContact CD2-CD1 3.27Å; L58-I212 HydrophobicContact CD2-CG1 4.43Å; L58-I212 HydrophobicContact CG-CD1 3.55Å; L58-I212 HydrophobicContact CG-CG1 4.29Å; L58-I212 HydrophobicContact CG-CG2 4.27Å
59Q81.3Confident82.2Confident138 Ų13886.5 Ų86.565%0.64544%0.441SS*.Hα-helixtrans-66.4-35.5-178.8-170.4143.4-8.400112.4L55 S56 K57 Q62 Q63L55-Q59 WeakPolarHBondContact O-CB 3.34Å; L55-Q59 PolarHBondContact O-N 2.89Å; S56-Q59 PolarHBondContact O-N 3.47Å; K57-Q59 VanDerWaalsContact C-N 3.31Å; K57-Q59 PolarHBondContact O-N 2.82Å; Q59-Q62 PolarHBondContact O-N 2.72Å; Q59-Q63 PolarHBondContact O-N 3.16Å
60E83.5Confident82.5Confident134 Ų13486.3 Ų86.363%0.62644%0.439SS*.Hα-helixtrans-60-46171.1-174.3-177173.500111.5S56 K57 L58 Q63S56-E60 PolarHBondContact O-N 3.23Å; K57-E60 WeakPolarHBondContact O-CB 3.31Å; K57-E60 PolarHBondContact O-N 3.48Å; L58-E60 VanDerWaalsContact C-N 3.33Å; L58-E60 PolarHBondContact O-N 2.98Å; E60-Q63 WeakPolarHBondContact O-CB 3.37Å; E60-Q63 PolarHBondContact O-N 3.26Å
61Y81.8Confident82.7Confident71 Ų7186.4 Ų86.428%0.27845%0.445SS..Hα-helixtrans-72.5-31.2177.8-74-68.4000113.7K57 L58 Q63 Y64 Y65 I210K57-Y61 HydrophobicContact CD-CE2 4.47Å; K57-Y61 HydrophobicContact CG-CD2 4.16Å; K57-Y61 HydrophobicContact CG-CE2 3.83Å; K57-Y61 WeakPolarHBondContact O-CD2 3.42Å; K57-Y61 PolarHBondContact O-N 3.08Å; L58-Y61 PolarHBondContact O-N 3.38Å; Y61-Q63 PolarHBondContact O-N 3.24Å; Y61-Y64 PolarHBondContact O-N 2.87Å; Y61-Y65 HydrophobicContact CD1-CD2 4.15Å; Y61-Y65 AromaticContact CD1-CE2 3.89Å; Y61-Y65 HydrophobicContact CD1-CE2 3.89Å; Y61-Y65 PolarHBondContact O-N 3.45Å; Y61-I210 HydrophobicContact CD1-CD1 3.64Å; Y61-I210 HydrophobicContact CD1-CG1 4.17Å; Y61-I210 HydrophobicContact CD2-CD1 4.3Å; Y61-I210 HydrophobicContact CD2-CG1 4.49Å; Y61-I210 HydrophobicContact CD2-CG2 3.57Å; Y61-I210 HydrophobicContact CE1-CD1 3.93Å; Y61-I210 HydrophobicContact CE1-CG1 3.94Å; Y61-I210 HydrophobicContact CE2-CB 4.49Å; Y61-I210 HydrophobicContact CE2-CG1 4.31Å; Y61-I210 HydrophobicContact CE2-CG2 3.44Å; Y61-I210 VanDerWaalsContact CE2-CG2 3.44Å; Y61-I210 HydrophobicContact CG-CD1 3.84Å; Y61-I210 HydrophobicContact CG-CG1 4.43Å; Y61-I210 HydrophobicContact CG-CG2 4.23Å
62Q77.3Confident82.9Confident123 Ų12386.6 Ų86.658%0.57544%0.442SS*.Hα-helixtrans-64.8-25174.7-80.2-179.3-45.700113L58 Q59 Y64L58-Q62 WeakPolarHBondContact O-CG 3.41Å; L58-Q62 PolarHBondContact O-N 3.31Å; Q59-Q62 PolarHBondContact O-N 2.72Å; Q62-Y64 PolarHBondContact O-N 3.37Å
63Q72.8Confident82.4Confident178 Ų17886.7 Ų86.783%0.83244%0.438SS*.THydrogen-bonded Turntrans-64.5-27.5172.5-176.9175.9-22.100112Q59 E60 Y61Q59-Q63 PolarHBondContact O-N 3.16Å; E60-Q63 WeakPolarHBondContact O-CB 3.37Å; E60-Q63 PolarHBondContact O-N 3.26Å; Y61-Q63 PolarHBondContact O-N 3.24Å
64Y77.7Confident81.5Confident116 Ų11683.7 Ų83.746%0.45545%0.446SS..THydrogen-bonded Turntrans-108.9-29.8-173.1-171.4-105.2000113.4Y61 Q62 V113 M114 G115Y61-Y64 PolarHBondContact O-N 2.87Å; Q62-Y64 PolarHBondContact O-N 3.37Å; Y64-V113 PolarHBondContact OH-O 3.21Å; Y64-M114 WeakPolarHBondContact OH-CA 3.34Å; Y64-M114 PolarHBondContact OH-N 3.22Å; Y64-G115 PolarHBondContact OH-N 3.47Å
65Y82.6Confident80.5Confident21 Ų2191.6 Ų91.68%0.08248%0.482CS..  trans-119.1124.6178.3-57.9-63.8000110.9Y61 S67 L68 P84 M114 M207 I210Y61-Y65 HydrophobicContact CD1-CD2 4.15Å; Y61-Y65 AromaticContact CD1-CE2 3.89Å; Y61-Y65 HydrophobicContact CD1-CE2 3.89Å; Y61-Y65 PolarHBondContact O-N 3.45Å; Y65-S67 PolarHBondContact O-N 3.19Å; Y65-L68 HydrophobicContact CD2-CD2 4.07Å; Y65-L68 HydrophobicContact CG-CD2 4.31Å; Y65-P84 HydrophobicContact CD1-CB 3.52Å; Y65-P84 HydrophobicContact CD1-CG 3.4Å; Y65-P84 VanDerWaalsContact CD1-CG 3.4Å; Y65-P84 HydrophobicContact CD2-CB 4.44Å; Y65-P84 HydrophobicContact CD2-CG 3.8Å; Y65-P84 HydrophobicContact CE1-CB 4.01Å; Y65-P84 HydrophobicContact CE1-CG 3.44Å; Y65-P84 VanDerWaalsContact CE1-CG 3.44Å; Y65-P84 HydrophobicContact CE2-CG 3.82Å; Y65-P84 HydrophobicContact CG-CB 3.76Å; Y65-P84 HydrophobicContact CG-CG 3.58Å; Y65-M114 PolarHBondContact OH-O 3.05Å; Y65-M114 VanDerWaalsContact OH-O 3.07Å; Y65-M207 PolarHBondContact OH-SD 3.42Å; Y65-M207 VanDerWaalsContact OH-SD 3.33Å; Y65-I210 HydrophobicContact CD2-CD1 4.25Å; Y65-I210 HydrophobicContact CE2-CD1 4.03Å
66P80.5Confident79.3Confident129 Ų12994.2 Ų94.284%0.83849%0.492SS*.SBendtrans-67.4-24.3-176.126.7-34.5000113.2
67S88.9Confident78Confident57 Ų5798.7 Ų98.740%0.39951%0.507SS..  trans-152.7140.7179.4173.90000110Y65 P84 T85Y65-S67 PolarHBondContact O-N 3.19Å; S67-P84 CarbonylContact O-C 3.51Å; S67-P84 WeakPolarHBondContact O-CA 3.46Å; S67-T85 PolarHBondContact O-N 2.75Å; S67-T85 PolarHBondContact OG-OG1 3.41Å
68L91.1Very high77Confident34 Ų3499.3 Ų99.318%0.17851%0.511CS..EExtended strand (participates in β ladder)trans-118.6137172.8-64.4174.5000109.1L58 Y65 C83 P84 I210L58-L68 HydrophobicContact CD2-CD1 3.85Å; Y65-L68 HydrophobicContact CD2-CD2 4.07Å; Y65-L68 HydrophobicContact CG-CD2 4.31Å; L68-C83 CarbonylContact C-O 3.56Å; L68-C83 WeakPolarHBondContact CA-O 3.45Å; L68-P84 HydrophobicContact CD2-CB 4.26Å; L68-P84 HydrophobicContact CD2-CG 4.1Å; L68-I210 HydrophobicContact CD2-CD1 3.81Å
69T91.3Very high76.9Confident81 Ų81101.4 Ų101.450%0.49752%0.522SS..EExtended strand (participates in β ladder)trans-104.6120.3168.5-61.20000108.3C82 C83 T85T69-C82 VanDerWaalsContact O-CA 3.27Å; T69-C82 WeakPolarHBondContact O-CA 3.47Å; T69-C83 PolarHBondContact N-O 3.17Å; T69-C83 PolarHBondContact O-N 2.95Å; T69-T85 PolarHBondContact OG1-OG1 2.9Å; T69-T85 VanDerWaalsContact OG1-OG1 3.06Å
70C89.7Confident77.1Confident47 Ų47100.1 Ų100.132%0.31851%0.511SS..EExtended strand (participates in β ladder)trans-116.2140.1-174.2-62.70000111.8W80 S81 C82C70-W80 HydrophobicContact CB-CE3 3.81Å; C70-W80 HydrophobicContact CB-CZ3 4.36Å; C70-S81 CarbonylContact C-O 3.55Å; C70-S81 WeakPolarHBondContact CA-O 3.43Å; C70-C82 HydrophobicContact CB-CB 4.02Å; C70-C82 WeakPolarHBondContact CB-SG 3.32Å; C70-C82 WeakPolarHBondContact SG-CB 3.24Å; C70-C82 CovalentContact SG-SG 2.03Å; C70-C82 PolarHBondContact SG-SG 2.81Å
71V88.1Confident77.5Confident64 Ų6493.8 Ų93.839%0.38848%0.482SS..EExtended strand (participates in β ladder)trans-132.3146.6177.2-61.10000110.6E73 S81V71-E73 HydrophobicContact CG2-CG 4.34Å; V71-S81 WeakPolarHBondContact CG2-OG 3.18Å; V71-S81 PolarHBondContact N-O 3.31Å; V71-S81 PolarHBondContact O-N 3.05Å; V71-S81 PolarHBondContact O-OG 2.92Å
72M83.9Confident78Confident79 Ų7990.5 Ų90.539%0.38947%0.469SS..EExtended strand (participates in β ladder)trans-78.6121.7172.9-68-67.5-82.600109.6M77 W80M72-M77 HydrophobicContact CE-CG 4.11Å; M72-M77 WeakPolarHBondContact CE-O 3.39Å; M72-W80 HydrophobicContact CG-CD2 4.06Å; M72-W80 HydrophobicContact CG-CE3 4.04Å; M72-W80 HydrophobicContact CG-CH2 3.93Å; M72-W80 HydrophobicContact CG-CZ2 3.92Å; M72-W80 HydrophobicContact CG-CZ3 3.98Å; M72-W80 VanDerWaalsContact SD-CD1 3.53Å; M72-W80 HydrophobicContact SD-CD2 3.31Å; M72-W80 HydrophobicContact SD-CE3 3.9Å; M72-W80 HydrophobicContact SD-CG 3.6Å; M72-W80 HydrophobicContact SD-CH2 4.17Å; M72-W80 HydrophobicContact SD-CZ2 3.61Å; M72-W80 HydrophobicContact SD-CZ3 4.3Å; M72-W80 PolarHBondContact SD-NE1 3.44Å
73E73.3Confident78.9Confident64 Ų6484.8 Ų84.830%0.29944%0.443SS..  trans-106.4127.4177-70.7-170.3146.500111.5V71 D79 S81 K209 Y211V71-E73 HydrophobicContact CG2-CG 4.34Å; E73-D79 PolarHBondContact N-O 3Å; E73-S81 WeakPolarHBondContact CG-OG 3.33Å; E73-S81 PolarHBondContact OE1-OG 3.35Å; E73-S81 WeakPolarHBondContact OE2-CB 3.41Å; E73-S81 PolarHBondContact OE2-OG 2.97Å; E73-K209 IonicContact OE1-NZ 2.6Å; E73-K209 PolarHBondContact OE1-NZ 3.42Å; E73-Y211 PolarHBondContact OE2-OH 3.06Å
74G65.4Low79.9Confident77 Ų7776.4 Ų76.479%0.79440%0.404SS*.SBendtrans93.2-177.5167.200000117.2
75K56.3Low80.6Confident215 Ų21573.7 Ų73.794%0.93540%0.4SS*.SBendtrans-77.1-21.5178-73.8-175.2178.1-1800113.2M77K75-M77 PolarHBondContact O-N 3.45Å
76H56.6Low81.1Confident156 Ų15677.2 Ų77.272%0.72243%0.425SS*.SBendtrans-86.1105.9175.4-81.1-81.8000108.6E78H76-E78 PolarHBondContact O-N 3.49Å
77M56.5Low81.9Confident164 Ų16472.2 Ų72.281%0.80839%0.389SS*.THydrogen-bonded Turntrans-70.432.3-171.1-161167.669.800114M72 K75M72-M77 HydrophobicContact CE-CG 4.11Å; M72-M77 WeakPolarHBondContact CE-O 3.39Å; K75-M77 PolarHBondContact O-N 3.45Å
78E59.6Low82.2Confident93 Ų9371.9 Ų71.944%0.43539%0.385SS..THydrogen-bonded Turntrans-134.4-10.5-173.7-65.7-165.9179.200115.7K50 R54 H76K50-E78 IonicContact NZ-OE2 2.65Å; K50-E78 PolarHBondContact NZ-OE2 2.97Å; R54-E78 PolarHBondContact NH1-O 2.92Å; R54-E78 PolarHBondContact NH2-O 3.21Å; H76-E78 PolarHBondContact O-N 3.49Å
79D76.9Confident82.4Confident88 Ų8872.8 Ų72.847%0.47139%0.394SS..  trans-102.7103.8-177.4-65-24.8000110.9E73E73-D79 PolarHBondContact N-O 3Å
80W85.9Confident82.6Confident112 Ų11271 Ų7142%0.42438%0.379SS..EExtended strand (participates in β ladder)trans-82.4132.2172.8-7081.3000109.1C70 M72 Y211 I212C70-W80 HydrophobicContact CB-CE3 3.81Å; C70-W80 HydrophobicContact CB-CZ3 4.36Å; M72-W80 HydrophobicContact CG-CD2 4.06Å; M72-W80 HydrophobicContact CG-CE3 4.04Å; M72-W80 HydrophobicContact CG-CH2 3.93Å; M72-W80 HydrophobicContact CG-CZ2 3.92Å; M72-W80 HydrophobicContact CG-CZ3 3.98Å; M72-W80 VanDerWaalsContact SD-CD1 3.53Å; M72-W80 HydrophobicContact SD-CD2 3.31Å; M72-W80 HydrophobicContact SD-CE3 3.9Å; M72-W80 HydrophobicContact SD-CG 3.6Å; M72-W80 HydrophobicContact SD-CH2 4.17Å; M72-W80 HydrophobicContact SD-CZ2 3.61Å; M72-W80 HydrophobicContact SD-CZ3 4.3Å; M72-W80 PolarHBondContact SD-NE1 3.44Å; W80-Y211 WeakPolarHBondContact O-CA 3.43Å; W80-I212 HydrophobicContact CB-CB 4.45Å; W80-I212 PolarHBondContact N-O 2.7Å; W80-I212 PolarHBondContact O-N 3.37Å
81S91.4Very high82.8Confident1 Ų174 Ų741%0.00739%0.389CS..EExtended strand (participates in β ladder)trans-113.5133.3172.4830000109.4C70 V71 E73 K209 I210C70-S81 CarbonylContact C-O 3.55Å; C70-S81 WeakPolarHBondContact CA-O 3.43Å; V71-S81 WeakPolarHBondContact CG2-OG 3.18Å; V71-S81 PolarHBondContact N-O 3.31Å; V71-S81 PolarHBondContact O-N 3.05Å; V71-S81 PolarHBondContact O-OG 2.92Å; E73-S81 WeakPolarHBondContact CG-OG 3.33Å; E73-S81 PolarHBondContact OE1-OG 3.35Å; E73-S81 WeakPolarHBondContact OE2-CB 3.41Å; E73-S81 PolarHBondContact OE2-OG 2.97Å; S81-K209 PolarHBondContact OG-NZ 3.42Å; S81-I210 CarbonylContact C-O 3.54Å; S81-I210 WeakPolarHBondContact CA-O 3.41Å
82C93.1Very high83.2Confident1 Ų173.9 Ų73.91%0.00739%0.391CS..EExtended strand (participates in β ladder)trans-130.5149.8-173.6-49.20000112.8T69 C70 I210 I212T69-C82 VanDerWaalsContact O-CA 3.27Å; T69-C82 WeakPolarHBondContact O-CA 3.47Å; C70-C82 HydrophobicContact CB-CB 4.02Å; C70-C82 WeakPolarHBondContact CB-SG 3.32Å; C70-C82 WeakPolarHBondContact SG-CB 3.24Å; C70-C82 CovalentContact SG-SG 2.03Å; C70-C82 PolarHBondContact SG-SG 2.81Å; C82-I210 HydrophobicContact CB-CB 4.26Å; C82-I210 PolarHBondContact N-O 3.01Å; C82-I210 PolarHBondContact O-N 3.07Å; C82-I212 WeakPolarHBondContact SG-CD1 3.26Å
83C95.2Very high83.8Confident3 Ų370.6 Ų70.62%0.0238%0.376CS..EExtended strand (participates in β ladder)trans-127145.9168.5-66.90000110.3L68 T69 W87 S89 C94L68-C83 CarbonylContact C-O 3.56Å; L68-C83 WeakPolarHBondContact CA-O 3.45Å; T69-C83 PolarHBondContact N-O 3.17Å; T69-C83 PolarHBondContact O-N 2.95Å; C83-W87 HydrophobicContact CB-CB 4.2Å; C83-S89 VanDerWaalsContact SG-CB 3.54Å; C83-C94 WeakPolarHBondContact CA-SG 2.97Å; C83-C94 HydrophobicContact CB-CB 3.75Å; C83-C94 WeakPolarHBondContact CB-SG 3.47Å; C83-C94 VanDerWaalsContact SG-CA 3.55Å; C83-C94 WeakPolarHBondContact SG-CB 3.47Å; C83-C94 CovalentContact SG-SG 2.03Å; C83-C94 PolarHBondContact SG-SG 2.99Å
84P94.6Very high85Confident2 Ų267.5 Ų67.51%0.01336%0.361CS..EExtended strand (participates in β ladder)trans-61143.7170.7-18.731.1000111.1Y65 S67 L68 W87 M207Y65-P84 HydrophobicContact CD1-CB 3.52Å; Y65-P84 HydrophobicContact CD1-CG 3.4Å; Y65-P84 VanDerWaalsContact CD1-CG 3.4Å; Y65-P84 HydrophobicContact CD2-CB 4.44Å; Y65-P84 HydrophobicContact CD2-CG 3.8Å; Y65-P84 HydrophobicContact CE1-CB 4.01Å; Y65-P84 HydrophobicContact CE1-CG 3.44Å; Y65-P84 VanDerWaalsContact CE1-CG 3.44Å; Y65-P84 HydrophobicContact CE2-CG 3.82Å; Y65-P84 HydrophobicContact CG-CB 3.76Å; Y65-P84 HydrophobicContact CG-CG 3.58Å; S67-P84 CarbonylContact O-C 3.51Å; S67-P84 WeakPolarHBondContact O-CA 3.46Å; L68-P84 HydrophobicContact CD2-CB 4.26Å; L68-P84 HydrophobicContact CD2-CG 4.1Å; P84-W87 HydrophobicContact CB-CG 4.34Å; P84-W87 WeakPolarHBondContact O-CA 3.24Å; P84-W87 WeakPolarHBondContact O-CB 3.45Å; P84-W87 PolarHBondContact O-N 3.23Å; P84-M207 HydrophobicContact CG-CE 3.3Å
85T92.2Very high86.5Confident60 Ų6064.3 Ų64.337%0.36833%0.325SS..THydrogen-bonded Turntrans-78.2131.2168.9-51.90000108S67 T69S67-T85 PolarHBondContact O-N 2.75Å; S67-T85 PolarHBondContact OG-OG1 3.41Å; T69-T85 PolarHBondContact OG1-OG1 2.9Å; T69-T85 VanDerWaalsContact OG1-OG1 3.06Å
86P92.9Very high88.5Confident94 Ų9456.2 Ų56.261%0.6129%0.29SS*.THydrogen-bonded Turncis-104.938.514.441.4-36.6000115F96P86-F96 HydrophobicContact CG-CD2 4.26Å; P86-F96 HydrophobicContact CG-CE2 3.92Å
87W96.5Very high90.5Very high24 Ų2451 Ų519%0.09127%0.267CS..  trans-75.3146.1179.1-59.351.3000110.9C83 P84 C94 Y95 F96 M114 A116 C205 M207C83-W87 HydrophobicContact CB-CB 4.2Å; P84-W87 HydrophobicContact CB-CG 4.34Å; P84-W87 WeakPolarHBondContact O-CA 3.24Å; P84-W87 WeakPolarHBondContact O-CB 3.45Å; P84-W87 PolarHBondContact O-N 3.23Å; W87-C94 HydrophobicContact CB-CB 4.26Å; W87-C94 HydrophobicContact CD2-CB 4.41Å; W87-C94 HydrophobicContact CE3-CB 3.73Å; W87-Y95 CarbonylContact C-O 3.48Å; W87-Y95 WeakPolarHBondContact CA-O 3.06Å; W87-F96 HydrophobicContact CD2-CB 3.44Å; W87-F96 VanDerWaalsContact CD2-CB 3.44Å; W87-F96 HydrophobicContact CD2-CG 4.4Å; W87-F96 VanDerWaalsContact CE2-CB 3.43Å; W87-F96 HydrophobicContact CE3-CB 3.63Å; W87-F96 HydrophobicContact CG-CB 3.96Å; W87-F96 HydrophobicContact CH2-CB 3.76Å; W87-F96 HydrophobicContact CZ2-CB 3.61Å; W87-F96 HydrophobicContact CZ2-CG 4.17Å; W87-F96 HydrophobicContact CZ3-CB 3.78Å; W87-M114 HydrophobicContact CZ2-CB 4.08Å; W87-M114 HydrophobicContact CZ2-CE 4.22Å; W87-M114 HydrophobicContact CZ2-SD 4.06Å; W87-A116 HydrophobicContact CH2-CB 3.47Å; W87-A116 VanDerWaalsContact CH2-CB 3.47Å; W87-A116 HydrophobicContact CZ2-CB 4.48Å; W87-A116 HydrophobicContact CZ3-CB 4.08Å; W87-C205 HydrophobicContact CH2-CB 3.73Å; W87-C205 HydrophobicContact CZ3-CB 4.14Å; W87-M207 HydrophobicContact CD2-CE 4.5Å; W87-M207 HydrophobicContact CE3-CE 4.41Å; W87-M207 HydrophobicContact CE3-CG 4.18Å; W87-M207 HydrophobicContact CH2-CG 4.35Å; W87-M207 HydrophobicContact CH2-SD 4.47Å; W87-M207 HydrophobicContact CZ3-CG 3.81Å; W87-M207 HydrophobicContact CZ3-SD 4.39Å
88T95.9Very high92.5Very high50 Ų5043.5 Ų43.531%0.30723%0.231SC..EExtended strand (participates in β ladder)trans-96.7152.6172.957.90000110.3C94 Y95T88-C94 CarbonylContact O-C 3.46Å; T88-C94 WeakPolarHBondContact O-CA 3.33Å; T88-Y95 PolarHBondContact N-O 3.49Å; T88-Y95 PolarHBondContact O-N 3.29Å; T88-Y95 PolarHBondContact OG1-O 2.9Å
89S95.7Very high94.3Very high53 Ų5343.8 Ų43.837%0.37124%0.239SC..EExtended strand (participates in β ladder)trans-115133.9-172.31060000110.7C83 K209C83-S89 VanDerWaalsContact SG-CB 3.54Å; S89-K209 PolarHBondContact OG-NZ 3.25Å
90F95.8Very high95.3Very high44 Ų4443 Ų4319%0.19324%0.237CC..EExtended strand (participates in β ladder)trans-147.8128170.9177.5-103000110.6S92 S93 Y95 E125 E126 F129F90-S92 PolarHBondContact O-N 3.03Å; F90-S93 PolarHBondContact N-O 2.03Å; F90-S93 PolarHBondContact O-N 2.03Å; F90-Y95 HydrophobicContact CB-CD2 4.36Å; F90-Y95 HydrophobicContact CB-CE2 3.74Å; F90-E125 HydrophobicContact CZ-CB 4.16Å; F90-E126 HydrophobicContact CE1-CB 4.14Å; F90-F129 HydrophobicContact CB-CB 4.47Å; F90-F129 HydrophobicContact CB-CD1 3.32Å; F90-F129 HydrophobicContact CB-CD2 3.77Å; F90-F129 HydrophobicContact CB-CE1 3.34Å; F90-F129 HydrophobicContact CB-CE2 3.76Å; F90-F129 HydrophobicContact CB-CG 3.55Å; F90-F129 HydrophobicContact CB-CZ 3.55Å; F90-F129 HydrophobicContact CD1-CB 4.05Å; F90-F129 HydrophobicContact CD1-CD1 4.03Å; F90-F129 HydrophobicContact CD1-CG 4.02Å; F90-F129 HydrophobicContact CD2-CB 3.72Å; F90-F129 HydrophobicContact CD2-CD1 4.17Å; F90-F129 AromaticContact CD2-CD2 3.53Å; F90-F129 HydrophobicContact CD2-CD2 3.53Å; F90-F129 HydrophobicContact CD2-CE2 4.21Å; F90-F129 AromaticContact CD2-CG 3.5Å; F90-F129 HydrophobicContact CD2-CG 3.5Å; F90-F129 VanDerWaalsContact CD2-CG 3.5Å; F90-F129 HydrophobicContact CE1-CB 4.14Å; F90-F129 HydrophobicContact CE2-CB 3.82Å; F90-F129 HydrophobicContact CE2-CD2 4.3Å; F90-F129 HydrophobicContact CE2-CG 4.13Å; F90-F129 HydrophobicContact CG-CB 3.83Å; F90-F129 AromaticContact CG-CD1 3.61Å; F90-F129 HydrophobicContact CG-CD1 3.61Å; F90-F129 AromaticContact CG-CD2 3.82Å; F90-F129 HydrophobicContact CG-CD2 3.82Å; F90-F129 HydrophobicContact CG-CE1 4.15Å; F90-F129 HydrophobicContact CG-CE2 4.32Å; F90-F129 AromaticContact CG-CG 3.43Å; F90-F129 HydrophobicContact CG-CG 3.43Å; F90-F129 VanDerWaalsContact CG-CG 3.43Å; F90-F129 HydrophobicContact CG-CZ 4.47Å; F90-F129 HydrophobicContact CZ-CB 4.02Å
91Q94Very high95.9Very high109 Ų10942.5 Ų42.551%0.50924%0.241SC..THydrogen-bonded Turntrans48.1-127.4-172.7-58.7178.39.900110.6S93 K209Q91-S93 VanDerWaalsContact C-N 3.31Å; Q91-S93 PolarHBondContact O-N 2.94Å; Q91-K209 WeakPolarHBondContact O-CD 3.23Å; Q91-K209 WeakPolarHBondContact O-CE 3.44Å; Q91-K209 PolarHBondContact O-NZ 3.27Å
92S94.6Very high96.3Very high63 Ų6344.6 Ų44.644%0.44125%0.251SS..THydrogen-bonded Turntrans-87.413.9-178.460.30000114.8F90 K209F90-S92 PolarHBondContact O-N 3.03Å; S92-K209 PolarHBondContact O-N 3.07Å
93S97.3Very high96.6Very high9 Ų945.5 Ų45.56%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-131.6156.2-172.6-71.20000114.4F90 Q91 Y95 K206 M207F90-S93 PolarHBondContact N-O 2.03Å; F90-S93 PolarHBondContact O-N 2.03Å; Q91-S93 VanDerWaalsContact C-N 3.31Å; Q91-S93 PolarHBondContact O-N 2.94Å; S93-Y95 WeakPolarHBondContact CB-OH 3.27Å; S93-K206 VanDerWaalsContact OG-CE 3.31Å; S93-K206 WeakPolarHBondContact OG-CE 3.1Å; S93-M207 CarbonylContact C-O 3.57Å; S93-M207 VanDerWaalsContact CA-O 3.23Å; S93-M207 WeakPolarHBondContact CA-O 3.44Å; S93-M207 WeakPolarHBondContact CB-O 3.4Å; S93-M207 PolarHBondContact OG-O 3.3Å
94C97.8Very high96.7Very high0 Ų046.9 Ų46.90%026%0.262CS..EExtended strand (participates in β ladder)trans-111.2141.8172.1-54.10000109.3C83 W87 T88 K206 M207C83-C94 WeakPolarHBondContact CA-SG 2.97Å; C83-C94 HydrophobicContact CB-CB 3.75Å; C83-C94 WeakPolarHBondContact CB-SG 3.47Å; C83-C94 VanDerWaalsContact SG-CA 3.55Å; C83-C94 WeakPolarHBondContact SG-CB 3.47Å; C83-C94 CovalentContact SG-SG 2.03Å; C83-C94 PolarHBondContact SG-SG 2.99Å; W87-C94 HydrophobicContact CB-CB 4.26Å; W87-C94 HydrophobicContact CD2-CB 4.41Å; W87-C94 HydrophobicContact CE3-CB 3.73Å; T88-C94 CarbonylContact O-C 3.46Å; T88-C94 WeakPolarHBondContact O-CA 3.33Å; C94-K206 WeakPolarHBondContact O-CA 3.02Å; C94-M207 HydrophobicContact CB-CE 4.06Å; C94-M207 HydrophobicContact CB-CG 3.99Å; C94-M207 PolarHBondContact N-O 2.92Å; C94-M207 PolarHBondContact O-N 2.89Å
95Y98.5Very high96.9Very high9 Ų951.3 Ų51.34%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-128.2134.4-176.4-54.7-98.6000111.1W87 T88 F90 S93 V119 E126 F129 I130 C205 K206W87-Y95 CarbonylContact C-O 3.48Å; W87-Y95 WeakPolarHBondContact CA-O 3.06Å; T88-Y95 PolarHBondContact N-O 3.49Å; T88-Y95 PolarHBondContact O-N 3.29Å; T88-Y95 PolarHBondContact OG1-O 2.9Å; F90-Y95 HydrophobicContact CB-CD2 4.36Å; F90-Y95 HydrophobicContact CB-CE2 3.74Å; S93-Y95 WeakPolarHBondContact CB-OH 3.27Å; Y95-V119 HydrophobicContact CD1-CG2 4.17Å; Y95-V119 HydrophobicContact CE1-CG2 4.09Å; Y95-E126 HydrophobicContact CE1-CG 4.33Å; Y95-E126 WeakPolarHBondContact CE1-OE1 3.36Å; Y95-E126 PolarHBondContact OH-OE1 2.93Å; Y95-F129 HydrophobicContact CD2-CD1 4.33Å; Y95-F129 AromaticContact CD2-CE1 3.6Å; Y95-F129 HydrophobicContact CD2-CE1 3.6Å; Y95-F129 HydrophobicContact CD2-CZ 4.47Å; Y95-F129 HydrophobicContact CE2-CD1 4.31Å; Y95-F129 AromaticContact CE2-CE1 3.95Å; Y95-F129 HydrophobicContact CE2-CE1 3.95Å; Y95-F129 HydrophobicContact CG-CE1 4.11Å; Y95-I130 HydrophobicContact CD1-CD1 4.12Å; Y95-I130 HydrophobicContact CD1-CG1 3.95Å; Y95-I130 HydrophobicContact CE1-CD1 3.88Å; Y95-I130 HydrophobicContact CE1-CG1 4Å; Y95-C205 VanDerWaalsContact CA-O 3.32Å; Y95-C205 WeakPolarHBondContact CA-O 3.32Å; Y95-K206 HydrophobicContact CD1-CB 4.31Å; Y95-K206 HydrophobicContact CD1-CG 4.35Å; Y95-K206 HydrophobicContact CE1-CB 4.39Å; Y95-K206 HydrophobicContact CE1-CD 3.88Å; Y95-K206 HydrophobicContact CE1-CG 4.01Å
96F98.3Very high97.2Very high46 Ų4653.4 Ų53.420%0.20229%0.294CS..EExtended strand (participates in β ladder)trans-126.6132175.6174.9-99.9000110.6P86 W87 M114 I204 C205P86-F96 HydrophobicContact CG-CD2 4.26Å; P86-F96 HydrophobicContact CG-CE2 3.92Å; W87-F96 HydrophobicContact CD2-CB 3.44Å; W87-F96 VanDerWaalsContact CD2-CB 3.44Å; W87-F96 HydrophobicContact CD2-CG 4.4Å; W87-F96 VanDerWaalsContact CE2-CB 3.43Å; W87-F96 HydrophobicContact CE3-CB 3.63Å; W87-F96 HydrophobicContact CG-CB 3.96Å; W87-F96 HydrophobicContact CH2-CB 3.76Å; W87-F96 HydrophobicContact CZ2-CB 3.61Å; W87-F96 HydrophobicContact CZ2-CG 4.17Å; W87-F96 HydrophobicContact CZ3-CB 3.78Å; F96-M114 HydrophobicContact CD1-CE 3.77Å; F96-M114 HydrophobicContact CD1-SD 4.25Å; F96-M114 HydrophobicContact CE1-CE 3.99Å; F96-M114 HydrophobicContact CE1-SD 4.22Å; F96-I204 CarbonylContact O-C 3.5Å; F96-I204 WeakPolarHBondContact O-CA 3.43Å; F96-C205 HydrophobicContact CB-CB 4.36Å; F96-C205 PolarHBondContact N-O 3Å; F96-C205 PolarHBondContact O-N 3.25Å
97I98.6Very high97.5Very high46 Ų4649 Ų4924%0.23627%0.266CS..EExtended strand (participates in β ladder)trans-99.5107178.2-61165.3000107.8N133 L134 Y140I97-N133 HydrophobicContact CD1-CB 3.53Å; I97-N133 VanDerWaalsContact CD1-O 3.25Å; I97-N133 WeakPolarHBondContact CD1-O 3.4Å; I97-L134 HydrophobicContact CD1-CD2 3.79Å; I97-L134 HydrophobicContact CG1-CD2 4.1Å; I97-Y140 HydrophobicContact CG2-CD1 4.01Å; I97-Y140 HydrophobicContact CG2-CE1 3.51Å
98S98Very high97.6Very high6 Ų649.1 Ų49.14%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-79.2122.6170.7-175.60000109.3V100 K202 S203S98-V100 VanDerWaalsContact C-N 3.31Å; S98-V100 PolarHBondContact OG-N 3.4Å; S98-K202 VanDerWaalsContact O-CB 3.32Å; S98-K202 WeakPolarHBondContact O-CB 3.45Å; S98-S203 WeakPolarHBondContact CB-OG 3.26Å; S98-S203 PolarHBondContact N-O 3.31Å; S98-S203 PolarHBondContact O-N 3.34Å; S98-S203 VanDerWaalsContact O-N 3.12Å
99T97.9Very high97.8Very high99 Ų9951.6 Ų51.661%0.60728%0.279SS*.EExtended strand (participates in β ladder)trans-88.9-1.9175.856.40000113
100V97.9Very high97.9Very high72 Ų7251.4 Ų51.444%0.43627%0.274SS..EExtended strand (participates in β ladder)trans-75.1128179.8-165.60000109.1S98 Q102S98-V100 VanDerWaalsContact C-N 3.31Å; S98-V100 PolarHBondContact OG-N 3.4Å; V100-Q102 HydrophobicContact CG1-CG 3.92Å; V100-Q102 VanDerWaalsContact CG1-NE2 3.34Å; V100-Q102 PolarHBondContact O-N 2.89Å
101M98.6Very high98Very high101 Ų10149.3 Ų49.350%0.49826%0.264SS..EExtended strand (participates in β ladder)trans-82110.3177.8-63.4-69.3-7500109.2P200 Q201 K202M101-P200 HydrophobicContact CB-CB 4.03Å; M101-P200 WeakPolarHBondContact CE-O 3.3Å; M101-Q201 WeakPolarHBondContact CA-O 3.3Å; M101-K202 HydrophobicContact SD-CG 3.69Å
102Q98.7Very high98.1Very high46 Ų4646.7 Ų46.722%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-140.5165-178.6-69.1-177.810.900110.2V100 E106 F141 P200 Q201V100-Q102 HydrophobicContact CG1-CG 3.92Å; V100-Q102 VanDerWaalsContact CG1-NE2 3.34Å; V100-Q102 PolarHBondContact O-N 2.89Å; Q102-E106 HydrophobicContact CB-CB 3.86Å; Q102-E106 HydrophobicContact CG-CB 4.45Å; Q102-E106 PolarHBondContact OE1-O 3.09Å; Q102-F141 VanDerWaalsContact O-CE2 3.3Å; Q102-F141 WeakPolarHBondContact O-CE2 3.39Å; Q102-P200 CarbonylContact O-C 3.52Å; Q102-P200 VanDerWaalsContact O-CA 3.26Å; Q102-P200 WeakPolarHBondContact O-CA 3.48Å; Q102-Q201 PolarHBondContact N-O 2.97Å; Q102-Q201 PolarHBondContact O-N 3.09Å
103S98.9Very high98.1Very high20 Ų2048.3 Ų48.314%0.1427%0.265CS..  trans-62.7166169.664.90000111.4T105 E106 S107S103-T105 VanDerWaalsContact C-N 3.32Å; S103-T105 PolarHBondContact O-N 2.99Å; S103-E106 WeakPolarHBondContact CB-OE2 3.29Å; S103-E106 PolarHBondContact N-OE2 3.2Å; S103-E106 PolarHBondContact O-N 3.36Å; S103-E106 WeakPolarHBondContact OG-CB 3.45Å; S103-E106 VanDerWaalsContact OG-CG 3.23Å; S103-E106 WeakPolarHBondContact OG-CG 3.5Å; S103-E106 PolarHBondContact OG-N 2.79Å; S103-E106 PolarHBondContact OG-OE2 2.82Å; S103-S107 WeakPolarHBondContact O-CB 3.24Å; S103-S107 PolarHBondContact O-N 3.06Å; S103-S107 PolarHBondContact O-OG 3.33Å
104W98.9Very high98Very high31 Ų3149.8 Ų49.812%0.11727%0.272CS..Hα-helixtrans-59.3-44178.5-175.292.7000112S107 Q108 L118 F141 L142 V156 C180 C197W104-S107 WeakPolarHBondContact O-CB 3.49Å; W104-S107 PolarHBondContact O-N 3.14Å; W104-Q108 HydrophobicContact CZ3-CB 4.48Å; W104-Q108 PolarHBondContact O-N 3.46Å; W104-L118 HydrophobicContact CD2-CD1 4.1Å; W104-L118 HydrophobicContact CG-CD1 4.25Å; W104-L118 HydrophobicContact CZ2-CD1 4.03Å; W104-F141 HydrophobicContact CB-CD1 4.22Å; W104-F141 HydrophobicContact CB-CD2 4.32Å; W104-F141 HydrophobicContact CB-CE1 3.98Å; W104-F141 HydrophobicContact CB-CE2 4.08Å; W104-F141 HydrophobicContact CB-CG 4.39Å; W104-F141 HydrophobicContact CB-CZ 3.91Å; W104-F141 AromaticContact CD1-CD1 3.52Å; W104-F141 AromaticContact CD1-CG 3.77Å; W104-F141 HydrophobicContact CG-CD1 4.28Å; W104-F141 HydrophobicContact CG-CE1 4.44Å; W104-F141 HydrophobicContact CG-CG 4.46Å; W104-F141 VanDerWaalsContact N-CE2 3.34Å; W104-L142 PolarHBondContact NE1-O 3.36Å; W104-V156 HydrophobicContact CH2-CG1 3.54Å; W104-V156 HydrophobicContact CZ2-CG1 3.5Å; W104-C180 HydrophobicContact CB-CB 4.13Å; W104-C180 VanDerWaalsContact CB-SG 3.52Å; W104-C180 HydrophobicContact CG-CB 3.9Å; W104-C197 HydrophobicContact CB-CB 4.18Å; W104-C197 PolarHBondContact N-O 3.01Å
105T98.8Very high97.8Very high95 Ų9552.1 Ų52.158%0.58330%0.295SS*.Hα-helixtrans-64.3-44.7-179.9-54.20000112S103 S107 Q108 N109S103-T105 VanDerWaalsContact C-N 3.32Å; S103-T105 PolarHBondContact O-N 2.99Å; T105-S107 VanDerWaalsContact C-N 3.34Å; T105-Q108 PolarHBondContact O-N 3.09Å; T105-N109 WeakPolarHBondContact O-CB 3.4Å; T105-N109 PolarHBondContact O-N 2.78Å
106E98.8Very high97.8Very high104 Ų10451.8 Ų51.849%0.48630%0.295SS..Hα-helixtrans-64.7-40.2176-70.5166.2143.800111.4Q102 S103 N109 N110Q102-E106 HydrophobicContact CB-CB 3.86Å; Q102-E106 HydrophobicContact CG-CB 4.45Å; Q102-E106 PolarHBondContact OE1-O 3.09Å; S103-E106 WeakPolarHBondContact CB-OE2 3.29Å; S103-E106 PolarHBondContact N-OE2 3.2Å; S103-E106 PolarHBondContact O-N 3.36Å; S103-E106 WeakPolarHBondContact OG-CB 3.45Å; S103-E106 VanDerWaalsContact OG-CG 3.23Å; S103-E106 WeakPolarHBondContact OG-CG 3.5Å; S103-E106 PolarHBondContact OG-N 2.79Å; S103-E106 PolarHBondContact OG-OE2 2.82Å; E106-N109 PolarHBondContact O-N 2.99Å; E106-N110 WeakPolarHBondContact O-CB 3.2Å; E106-N110 PolarHBondContact O-N 2.65Å
107S98.8Very high97.8Very high1 Ų152.5 Ų52.51%0.00730%0.301CS..Hα-helixtrans-61.4-44175.8-600000112.3S103 W104 T105 N110 C111S103-S107 WeakPolarHBondContact O-CB 3.24Å; S103-S107 PolarHBondContact O-N 3.06Å; S103-S107 PolarHBondContact O-OG 3.33Å; W104-S107 WeakPolarHBondContact O-CB 3.49Å; W104-S107 PolarHBondContact O-N 3.14Å; T105-S107 VanDerWaalsContact C-N 3.34Å; S107-N110 WeakPolarHBondContact O-CB 3.39Å; S107-N110 PolarHBondContact O-N 2.8Å; S107-C111 PolarHBondContact O-N 3.1Å; S107-C111 VanDerWaalsContact O-N 3.08Å; S107-C111 PolarHBondContact O-SG 3.03Å; S107-C111 VanDerWaalsContact O-SG 3.38Å
108Q98.8Very high97.8Very high27 Ų2750.3 Ų50.313%0.12629%0.289CS..Hα-helixtrans-61.3-46.8173.6174.656.535.600111.2W104 T105 N110 C111 S112 D117 L118W104-Q108 HydrophobicContact CZ3-CB 4.48Å; W104-Q108 PolarHBondContact O-N 3.46Å; T105-Q108 PolarHBondContact O-N 3.09Å; Q108-N110 VanDerWaalsContact C-N 3.27Å; Q108-N110 PolarHBondContact O-N 3.5Å; Q108-C111 PolarHBondContact O-N 3.38Å; Q108-C111 VanDerWaalsContact O-N 3.16Å; Q108-S112 PolarHBondContact NE2-OG 3.25Å; Q108-S112 VanDerWaalsContact NE2-OG 3.09Å; Q108-S112 PolarHBondContact O-N 3.19Å; Q108-S112 PolarHBondContact O-OG 3.43Å; Q108-D117 PolarHBondContact NE2-OD1 3.22Å; Q108-L118 HydrophobicContact CB-CD1 3.81Å; Q108-L118 HydrophobicContact CB-CG 4.14Å
109N98.5Very high97.8Very high103 Ų10350 Ų5055%0.55129%0.287SS*.Hα-helixtrans-60.6-37.9177.3-175.262.2000111.9T105 E106 S112 V113T105-N109 WeakPolarHBondContact O-CB 3.4Å; T105-N109 PolarHBondContact O-N 2.78Å; E106-N109 PolarHBondContact O-N 2.99Å; N109-S112 PolarHBondContact O-N 3.2Å; N109-V113 WeakPolarHBondContact O-CG2 3.31Å; N109-V113 PolarHBondContact O-N 2.88Å
110N98Very high97.9Very high48 Ų4845.5 Ų45.526%0.25726%0.26SS..Hα-helixtrans-61-45.5174.8-169.6-82.6000111.7E106 S107 Q108 V113 M114E106-N110 WeakPolarHBondContact O-CB 3.2Å; E106-N110 PolarHBondContact O-N 2.65Å; S107-N110 WeakPolarHBondContact O-CB 3.39Å; S107-N110 PolarHBondContact O-N 2.8Å; Q108-N110 VanDerWaalsContact C-N 3.27Å; Q108-N110 PolarHBondContact O-N 3.5Å; N110-V113 PolarHBondContact O-N 2.8Å; N110-M114 PolarHBondContact O-N 3.37Å; N110-M114 WeakPolarHBondContact OD1-CE 3.4Å
111C98.1Very high97.9Very high0 Ų042.2 Ų42.20%024%0.24CC..Hα-helixtrans-61.6-44174-60.40000111.6S107 Q108 V113 M114 G115 A116 C205S107-C111 PolarHBondContact O-N 3.1Å; S107-C111 VanDerWaalsContact O-N 3.08Å; S107-C111 PolarHBondContact O-SG 3.03Å; S107-C111 VanDerWaalsContact O-SG 3.38Å; Q108-C111 PolarHBondContact O-N 3.38Å; Q108-C111 VanDerWaalsContact O-N 3.16Å; C111-V113 VanDerWaalsContact C-N 3.34Å; C111-V113 PolarHBondContact O-N 2.94Å; C111-M114 CarbonylContact O-C 3.59Å; C111-M114 WeakPolarHBondContact O-CA 3.3Å; C111-M114 WeakPolarHBondContact O-CB 3.41Å; C111-M114 PolarHBondContact O-N 2.88Å; C111-G115 PolarHBondContact O-N 3.43Å; C111-A116 CarbonylContact C-O 3.52Å; C111-A116 HydrophobicContact CB-CB 4.36Å; C111-A116 CarbonylContact O-C 3.45Å; C111-A116 WeakPolarHBondContact O-CA 3.36Å; C111-A116 PolarHBondContact O-N 3.46Å; C111-A116 VanDerWaalsContact O-O 3.08Å; C111-C205 WeakPolarHBondContact CA-SG 3.31Å; C111-C205 HydrophobicContact CB-CB 3.73Å; C111-C205 WeakPolarHBondContact CB-SG 3.44Å; C111-C205 VanDerWaalsContact SG-CA 3.51Å; C111-C205 WeakPolarHBondContact SG-CB 3.5Å; C111-C205 CovalentContact SG-SG 2.04Å; C111-C205 PolarHBondContact SG-SG 2.85Å
112S97.4Very high97.7Very high54 Ų5441.1 Ų41.138%0.37824%0.236SC..Hα-helixtrans-63.2-37.1179.7-600000113Q108 N109 M114 G115 A116Q108-S112 PolarHBondContact NE2-OG 3.25Å; Q108-S112 VanDerWaalsContact NE2-OG 3.09Å; Q108-S112 PolarHBondContact O-N 3.19Å; Q108-S112 PolarHBondContact O-OG 3.43Å; N109-S112 PolarHBondContact O-N 3.2Å; S112-M114 PolarHBondContact O-N 2.98Å; S112-G115 PolarHBondContact O-N 3.36Å; S112-A116 WeakPolarHBondContact CA-O 3.33Å; S112-A116 PolarHBondContact N-O 3.49Å; S112-A116 VanDerWaalsContact N-O 3.1Å
113V94.8Very high97.7Very high98 Ų9841.2 Ų41.259%0.59424%0.239SC*.Hα-helixtrans-63.2-21173.3168.30000112.4Y64 N109 N110 C111Y64-V113 PolarHBondContact OH-O 3.21Å; N109-V113 WeakPolarHBondContact O-CG2 3.31Å; N109-V113 PolarHBondContact O-N 2.88Å; N110-V113 PolarHBondContact O-N 2.8Å; C111-V113 VanDerWaalsContact C-N 3.34Å; C111-V113 PolarHBondContact O-N 2.94Å
114M93.4Very high97.6Very high40 Ų4044.4 Ų44.420%0.19725%0.251CS..THydrogen-bonded Turntrans-989.6173-60.5-176.3-70.300113.5Y64 Y65 W87 F96 N110 C111 S112 A116 C205Y64-M114 WeakPolarHBondContact OH-CA 3.34Å; Y64-M114 PolarHBondContact OH-N 3.22Å; Y65-M114 PolarHBondContact OH-O 3.05Å; Y65-M114 VanDerWaalsContact OH-O 3.07Å; W87-M114 HydrophobicContact CZ2-CB 4.08Å; W87-M114 HydrophobicContact CZ2-CE 4.22Å; W87-M114 HydrophobicContact CZ2-SD 4.06Å; F96-M114 HydrophobicContact CD1-CE 3.77Å; F96-M114 HydrophobicContact CD1-SD 4.25Å; F96-M114 HydrophobicContact CE1-CE 3.99Å; F96-M114 HydrophobicContact CE1-SD 4.22Å; N110-M114 PolarHBondContact O-N 3.37Å; N110-M114 WeakPolarHBondContact OD1-CE 3.4Å; C111-M114 CarbonylContact O-C 3.59Å; C111-M114 WeakPolarHBondContact O-CA 3.3Å; C111-M114 WeakPolarHBondContact O-CB 3.41Å; C111-M114 PolarHBondContact O-N 2.88Å; S112-M114 PolarHBondContact O-N 2.98Å; M114-A116 VanDerWaalsContact C-N 3.32Å; M114-C205 HydrophobicContact CE-CB 4.36Å; M114-C205 VanDerWaalsContact CE-SG 3.51Å
115G94.4Very high97.6Very high48 Ų4848.3 Ų48.350%0.49527%0.27SS..THydrogen-bonded Turntrans73.925.4179.200000113.3Y64 C111 S112Y64-G115 PolarHBondContact OH-N 3.47Å; C111-G115 PolarHBondContact O-N 3.43Å; S112-G115 PolarHBondContact O-N 3.36Å
116A97.6Very high97.5Very high3 Ų344.1 Ų44.13%0.02524%0.244CC..  trans-130.9178.8-176.900000111.2W87 C111 S112 M114 C205 K206 M207W87-A116 HydrophobicContact CH2-CB 3.47Å; W87-A116 VanDerWaalsContact CH2-CB 3.47Å; W87-A116 HydrophobicContact CZ2-CB 4.48Å; W87-A116 HydrophobicContact CZ3-CB 4.08Å; C111-A116 CarbonylContact C-O 3.52Å; C111-A116 HydrophobicContact CB-CB 4.36Å; C111-A116 CarbonylContact O-C 3.45Å; C111-A116 WeakPolarHBondContact O-CA 3.36Å; C111-A116 PolarHBondContact O-N 3.46Å; C111-A116 VanDerWaalsContact O-O 3.08Å; S112-A116 WeakPolarHBondContact CA-O 3.33Å; S112-A116 PolarHBondContact N-O 3.49Å; S112-A116 VanDerWaalsContact N-O 3.1Å; M114-A116 VanDerWaalsContact C-N 3.32Å; A116-C205 HydrophobicContact CB-CB 4.19Å; A116-K206 WeakPolarHBondContact CB-O 3.41Å; A116-M207 HydrophobicContact CB-CB 3.86Å; A116-M207 HydrophobicContact CB-CG 4.43Å
117D98.8Very high97.5Very high61 Ų6139.2 Ų39.233%0.32622%0.221SC..EExtended strand (participates in β ladder)trans-127.5164.1172-68.2-64.2000110Q108 V156 C205 K206Q108-D117 PolarHBondContact NE2-OD1 3.22Å; D117-V156 HydrophobicContact CB-CG2 3.82Å; D117-C205 CarbonylContact O-C 3.06Å; D117-C205 VanDerWaalsContact O-CA 3.23Å; D117-C205 WeakPolarHBondContact O-CA 3.46Å; D117-K206 PolarHBondContact N-O 3.48Å; D117-K206 PolarHBondContact O-N 3.42Å
118L98.9Very high97.5Very high0 Ų042 Ų420%024%0.236CC..EExtended strand (participates in β ladder)trans-54.9144.8164.3-77.5173.4000110W104 Q108 V120 F141 V156 I204W104-L118 HydrophobicContact CD2-CD1 4.1Å; W104-L118 HydrophobicContact CG-CD1 4.25Å; W104-L118 HydrophobicContact CZ2-CD1 4.03Å; Q108-L118 HydrophobicContact CB-CD1 3.81Å; Q108-L118 HydrophobicContact CB-CG 4.14Å; L118-V120 PolarHBondContact O-N 2.91Å; L118-F141 HydrophobicContact CD1-CB 4.44Å; L118-F141 HydrophobicContact CD2-CB 4.21Å; L118-V156 HydrophobicContact CB-CG2 4.44Å; L118-V156 WeakPolarHBondContact O-CG2 3.25Å; L118-I204 CarbonylContact C-O 3.47Å; L118-I204 WeakPolarHBondContact CA-O 3.47Å
119V98.8Very high97.5Very high0 Ų042.1 Ų42.10%024%0.236CC..PPolyproline II helixtrans-61.8130.4-168.667.70000112.7Y95 I121 I130 L142 G143 I204 K206Y95-V119 HydrophobicContact CD1-CG2 4.17Å; Y95-V119 HydrophobicContact CE1-CG2 4.09Å; V119-I121 HydrophobicContact CG2-CG1 4.22Å; V119-I130 HydrophobicContact CG2-CD1 3.73Å; V119-L142 HydrophobicContact CG1-CD2 3.55Å; V119-G143 PolarHBondContact O-N 2.75Å; V119-I204 HydrophobicContact CB-CB 4.09Å; V119-I204 HydrophobicContact CB-CG2 3.82Å; V119-I204 HydrophobicContact CG1-CB 3.66Å; V119-I204 HydrophobicContact CG1-CD1 4.25Å; V119-I204 HydrophobicContact CG1-CG2 3.84Å; V119-I204 HydrophobicContact CG2-CG2 4.3Å; V119-I204 PolarHBondContact N-O 3.29Å; V119-K206 HydrophobicContact CB-CB 4.15Å; V119-K206 HydrophobicContact CG2-CB 3.97Å; V119-K206 HydrophobicContact CG2-CD 4.01Å
120V98.6Very high97.5Very high4 Ų437.4 Ų37.42%0.02421%0.211CC..PPolyproline II helixtrans-103.8116.8169.2175.80000107.8L118 W155 V156 D157 K206L118-V120 PolarHBondContact O-N 2.91Å; V120-W155 HydrophobicContact CB-CD2 4.3Å; V120-W155 HydrophobicContact CB-CE3 3.98Å; V120-W155 HydrophobicContact CB-CZ3 4.4Å; V120-W155 HydrophobicContact CG1-CB 4.21Å; V120-W155 HydrophobicContact CG1-CD2 3.67Å; V120-W155 HydrophobicContact CG1-CE3 3.86Å; V120-W155 HydrophobicContact CG1-CG 3.84Å; V120-W155 HydrophobicContact CG1-CZ3 4.41Å; V120-W155 HydrophobicContact CG2-CB 4.06Å; V120-W155 HydrophobicContact CG2-CD2 4.18Å; V120-W155 HydrophobicContact CG2-CE3 3.73Å; V120-W155 HydrophobicContact CG2-CG 4.36Å; V120-W155 HydrophobicContact CG2-CZ3 4.46Å; V120-V156 HydrophobicContact CG2-CG2 3.92Å; V120-D157 HydrophobicContact CG2-CB 4.18Å; V120-K206 PolarHBondContact O-NZ 2.9Å
121I98.3Very high97.5Very high3 Ų335.9 Ų35.92%0.01520%0.204CC..  trans-96.1115.7-177.3-60.5177.6000108.6V119 Q127 I130 L142 W155 F167 W192V119-I121 HydrophobicContact CG2-CG1 4.22Å; I121-Q127 HydrophobicContact CG2-CB 3.95Å; I121-I130 HydrophobicContact CD1-CD1 4.32Å; I121-I130 HydrophobicContact CG1-CD1 4.04Å; I121-L142 HydrophobicContact CD1-CD1 4.42Å; I121-L142 HydrophobicContact CD1-CD2 3.81Å; I121-W155 HydrophobicContact CB-CH2 4.42Å; I121-F167 HydrophobicContact CG2-CD2 4.19Å; I121-F167 HydrophobicContact CG2-CE2 3.85Å; I121-W192 HydrophobicContact CB-CZ2 4.02Å; I121-W192 HydrophobicContact CD1-CZ2 4.2Å; I121-W192 HydrophobicContact CG2-CZ2 4.15Å
122N95.6Very high97.4Very high78 Ų7843 Ų4342%0.41724%0.237SC..  trans-100-22.1-176.1-65.5-52.4000113.6E126 V165 K206N122-E126 PolarHBondContact N-OE2 2.85Å; N122-V165 WeakPolarHBondContact O-CG1 3.11Å; N122-K206 PolarHBondContact ND2-NZ 3.15Å
123T97.3Very high97.4Very high47 Ų4743.4 Ų43.429%0.28824%0.235SC..SBendtrans-145161.5-171.661.70000111.6E125 E126 Q127T123-E125 VanDerWaalsContact C-N 3.33Å; T123-E125 WeakPolarHBondContact CB-OE2 3.33Å; T123-E126 PolarHBondContact O-N 3.06Å; T123-E126 VanDerWaalsContact OG1-CB 3.24Å; T123-E126 WeakPolarHBondContact OG1-CB 3.06Å; T123-E126 PolarHBondContact OG1-N 3.16Å; T123-Q127 PolarHBondContact O-N 3.08Å
124K96.9Very high97.5Very high88 Ų8839.4 Ų39.438%0.38321%0.21SC..Hα-helixtrans-66.8-39.9176.4177.753.3174.6160.60110.7E126 Q127 D128 F167K124-E126 VanDerWaalsContact C-N 3.29Å; K124-E126 PolarHBondContact O-N 3.3Å; K124-Q127 PolarHBondContact O-N 3.02Å; K124-Q127 VanDerWaalsContact O-N 3.16Å; K124-D128 WeakPolarHBondContact CE-OD1 3.37Å; K124-D128 VanDerWaalsContact CE-OD2 3.32Å; K124-D128 WeakPolarHBondContact CE-OD2 3.46Å; K124-D128 IonicContact NZ-OD1 3.76Å; K124-D128 PolarHBondContact NZ-OD1 3.18Å; K124-D128 IonicContact NZ-OD2 3.83Å; K124-D128 WeakPolarHBondContact O-CB 3Å; K124-D128 VanDerWaalsContact O-CG 3.23Å; K124-D128 PolarHBondContact O-N 2.94Å; K124-F167 HydrophobicContact CB-CE1 3.96Å; K124-F167 HydrophobicContact CB-CZ 3.85Å; K124-F167 HydrophobicContact CD-CD1 4.22Å; K124-F167 HydrophobicContact CD-CE1 3.81Å; K124-F167 HydrophobicContact CD-CZ 4.26Å; K124-F167 HydrophobicContact CG-CE1 4.38Å
125E98.3Very high97.8Very high113 Ų11343.8 Ų43.853%0.52823%0.228SC..Hα-helixtrans-62.3-37.8178.8-6270.2-155.100111.5F90 T123 D128 F129F90-E125 HydrophobicContact CZ-CB 4.16Å; T123-E125 VanDerWaalsContact C-N 3.33Å; T123-E125 WeakPolarHBondContact CB-OE2 3.33Å; E125-D128 PolarHBondContact O-N 3.42Å; E125-F129 WeakPolarHBondContact O-CB 3.34Å; E125-F129 PolarHBondContact O-N 3.01Å
126E98.3Very high97.9Very high6 Ų646.8 Ų46.83%0.02823%0.231CC..Hα-helixtrans-64.3-46.8173.2178.5175.6-16500112F90 Y95 N122 T123 K124 D128 F129 I130 K206F90-E126 HydrophobicContact CE1-CB 4.14Å; Y95-E126 HydrophobicContact CE1-CG 4.33Å; Y95-E126 WeakPolarHBondContact CE1-OE1 3.36Å; Y95-E126 PolarHBondContact OH-OE1 2.93Å; N122-E126 PolarHBondContact N-OE2 2.85Å; T123-E126 PolarHBondContact O-N 3.06Å; T123-E126 VanDerWaalsContact OG1-CB 3.24Å; T123-E126 WeakPolarHBondContact OG1-CB 3.06Å; T123-E126 PolarHBondContact OG1-N 3.16Å; K124-E126 VanDerWaalsContact C-N 3.29Å; K124-E126 PolarHBondContact O-N 3.3Å; E126-D128 VanDerWaalsContact C-N 3.33Å; E126-D128 PolarHBondContact O-N 3.42Å; E126-F129 PolarHBondContact O-N 3.33Å; E126-I130 HydrophobicContact CG-CD1 3.82Å; E126-I130 WeakPolarHBondContact O-CD1 3.49Å; E126-I130 VanDerWaalsContact O-CG1 3.24Å; E126-I130 WeakPolarHBondContact O-CG1 3.16Å; E126-I130 PolarHBondContact O-N 3.19Å; E126-K206 WeakPolarHBondContact OE1-CE 3.34Å; E126-K206 IonicContact OE1-NZ 3.09Å; E126-K206 PolarHBondContact OE1-NZ 2.6Å; E126-K206 IonicContact OE2-NZ 2.77Å
127Q98.4Very high97.9Very high2 Ų253.3 Ų53.31%0.00927%0.266CS..Hα-helixtrans-60.3-44175.3176.4161.8-65.800111.9I121 T123 K124 F129 I130 T131 F167 I183I121-Q127 HydrophobicContact CG2-CB 3.95Å; T123-Q127 PolarHBondContact O-N 3.08Å; K124-Q127 PolarHBondContact O-N 3.02Å; K124-Q127 VanDerWaalsContact O-N 3.16Å; Q127-F129 VanDerWaalsContact C-N 3.31Å; Q127-F129 PolarHBondContact O-N 2.84Å; Q127-I130 PolarHBondContact O-N 3.18Å; Q127-T131 HydrophobicContact CG-CG2 4.04Å; Q127-T131 WeakPolarHBondContact O-CB 3.48Å; Q127-T131 VanDerWaalsContact O-CG2 3.26Å; Q127-T131 WeakPolarHBondContact O-CG2 3.39Å; Q127-T131 PolarHBondContact O-N 3.42Å; Q127-T131 PolarHBondContact O-OG1 2.85Å; Q127-F167 HydrophobicContact CB-CD2 4.3Å; Q127-F167 HydrophobicContact CB-CE2 4.35Å; Q127-F167 VanDerWaalsContact NE2-CB 3.34Å; Q127-I183 HydrophobicContact CG-CD1 4Å
128D98.2Very high97.8Very high59 Ų5951.3 Ų51.332%0.31626%0.256SS..Hα-helixtrans-65.7-35.6-178.4-68.3-14000111.3K124 E125 E126 T131 Q132K124-D128 WeakPolarHBondContact CE-OD1 3.37Å; K124-D128 VanDerWaalsContact CE-OD2 3.32Å; K124-D128 WeakPolarHBondContact CE-OD2 3.46Å; K124-D128 IonicContact NZ-OD1 3.76Å; K124-D128 PolarHBondContact NZ-OD1 3.18Å; K124-D128 IonicContact NZ-OD2 3.83Å; K124-D128 WeakPolarHBondContact O-CB 3Å; K124-D128 VanDerWaalsContact O-CG 3.23Å; K124-D128 PolarHBondContact O-N 2.94Å; E125-D128 PolarHBondContact O-N 3.42Å; E126-D128 VanDerWaalsContact C-N 3.33Å; E126-D128 PolarHBondContact O-N 3.42Å; D128-T131 PolarHBondContact O-OG1 2.77Å; D128-Q132 VanDerWaalsContact O-CG 3.32Å; D128-Q132 WeakPolarHBondContact O-CG 3.37Å; D128-Q132 PolarHBondContact O-NE2 2.91Å
129F98.3Very high97.8Very high29 Ų2951.9 Ų51.913%0.12726%0.261CS..Hα-helixtrans-64.6-48.6169.6167.1-96.9000112.3F90 Y95 E125 E126 Q127 T131 Q132 N133F90-F129 HydrophobicContact CB-CB 4.47Å; F90-F129 HydrophobicContact CB-CD1 3.32Å; F90-F129 HydrophobicContact CB-CD2 3.77Å; F90-F129 HydrophobicContact CB-CE1 3.34Å; F90-F129 HydrophobicContact CB-CE2 3.76Å; F90-F129 HydrophobicContact CB-CG 3.55Å; F90-F129 HydrophobicContact CB-CZ 3.55Å; F90-F129 HydrophobicContact CD1-CB 4.05Å; F90-F129 HydrophobicContact CD1-CD1 4.03Å; F90-F129 HydrophobicContact CD1-CG 4.02Å; F90-F129 HydrophobicContact CD2-CB 3.72Å; F90-F129 HydrophobicContact CD2-CD1 4.17Å; F90-F129 AromaticContact CD2-CD2 3.53Å; F90-F129 HydrophobicContact CD2-CD2 3.53Å; F90-F129 HydrophobicContact CD2-CE2 4.21Å; F90-F129 AromaticContact CD2-CG 3.5Å; F90-F129 HydrophobicContact CD2-CG 3.5Å; F90-F129 VanDerWaalsContact CD2-CG 3.5Å; F90-F129 HydrophobicContact CE1-CB 4.14Å; F90-F129 HydrophobicContact CE2-CB 3.82Å; F90-F129 HydrophobicContact CE2-CD2 4.3Å; F90-F129 HydrophobicContact CE2-CG 4.13Å; F90-F129 HydrophobicContact CG-CB 3.83Å; F90-F129 AromaticContact CG-CD1 3.61Å; F90-F129 HydrophobicContact CG-CD1 3.61Å; F90-F129 AromaticContact CG-CD2 3.82Å; F90-F129 HydrophobicContact CG-CD2 3.82Å; F90-F129 HydrophobicContact CG-CE1 4.15Å; F90-F129 HydrophobicContact CG-CE2 4.32Å; F90-F129 AromaticContact CG-CG 3.43Å; F90-F129 HydrophobicContact CG-CG 3.43Å; F90-F129 VanDerWaalsContact CG-CG 3.43Å; F90-F129 HydrophobicContact CG-CZ 4.47Å; F90-F129 HydrophobicContact CZ-CB 4.02Å; Y95-F129 HydrophobicContact CD2-CD1 4.33Å; Y95-F129 AromaticContact CD2-CE1 3.6Å; Y95-F129 HydrophobicContact CD2-CE1 3.6Å; Y95-F129 HydrophobicContact CD2-CZ 4.47Å; Y95-F129 HydrophobicContact CE2-CD1 4.31Å; Y95-F129 AromaticContact CE2-CE1 3.95Å; Y95-F129 HydrophobicContact CE2-CE1 3.95Å; Y95-F129 HydrophobicContact CG-CE1 4.11Å; E125-F129 WeakPolarHBondContact O-CB 3.34Å; E125-F129 PolarHBondContact O-N 3.01Å; E126-F129 PolarHBondContact O-N 3.33Å; Q127-F129 VanDerWaalsContact C-N 3.31Å; Q127-F129 PolarHBondContact O-N 2.84Å; F129-T131 VanDerWaalsContact C-N 3.34Å; F129-T131 PolarHBondContact O-N 3.04Å; F129-Q132 PolarHBondContact O-N 2.96Å; F129-N133 PolarHBondContact O-ND2 2.82Å
130I98.3Very high97.8Very high5 Ų552 Ų523%0.02626%0.262CS..Hα-helixtrans-59.6-48.6-177-71163000110.1Y95 V119 I121 E126 Q127 Q132 N133 L134 I204Y95-I130 HydrophobicContact CD1-CD1 4.12Å; Y95-I130 HydrophobicContact CD1-CG1 3.95Å; Y95-I130 HydrophobicContact CE1-CD1 3.88Å; Y95-I130 HydrophobicContact CE1-CG1 4Å; V119-I130 HydrophobicContact CG2-CD1 3.73Å; I121-I130 HydrophobicContact CD1-CD1 4.32Å; I121-I130 HydrophobicContact CG1-CD1 4.04Å; E126-I130 HydrophobicContact CG-CD1 3.82Å; E126-I130 WeakPolarHBondContact O-CD1 3.49Å; E126-I130 VanDerWaalsContact O-CG1 3.24Å; E126-I130 WeakPolarHBondContact O-CG1 3.16Å; E126-I130 PolarHBondContact O-N 3.19Å; Q127-I130 PolarHBondContact O-N 3.18Å; I130-Q132 VanDerWaalsContact C-N 3.26Å; I130-Q132 PolarHBondContact O-N 2.8Å; I130-N133 WeakPolarHBondContact O-CB 3.27Å; I130-N133 PolarHBondContact O-N 3.33Å; I130-L134 HydrophobicContact CG2-CD1 4.13Å; I130-L134 HydrophobicContact CG2-CD2 4.37Å; I130-L134 HydrophobicContact CG2-CG 4.31Å; I130-I204 HydrophobicContact CG2-CD1 3.81Å; I130-I204 HydrophobicContact CG2-CG2 4.49Å
131T98.3Very high97.8Very high16 Ų1651.9 Ų51.910%0.09826%0.261CS..Hα-helixtrans-64.3-24.9-173.751.80000114Q127 D128 F129 N133 L134 I183 W190Q127-T131 HydrophobicContact CG-CG2 4.04Å; Q127-T131 WeakPolarHBondContact O-CB 3.48Å; Q127-T131 VanDerWaalsContact O-CG2 3.26Å; Q127-T131 WeakPolarHBondContact O-CG2 3.39Å; Q127-T131 PolarHBondContact O-N 3.42Å; Q127-T131 PolarHBondContact O-OG1 2.85Å; D128-T131 PolarHBondContact O-OG1 2.77Å; F129-T131 VanDerWaalsContact C-N 3.34Å; F129-T131 PolarHBondContact O-N 3.04Å; T131-N133 PolarHBondContact O-N 3.07Å; T131-L134 HydrophobicContact CG2-CD1 4.26Å; T131-L134 PolarHBondContact O-N 3.49Å; T131-I183 HydrophobicContact CG2-CD1 3.6Å; T131-W190 HydrophobicContact CG2-CB 3.62Å; T131-W190 HydrophobicContact CG2-CD2 3.7Å; T131-W190 HydrophobicContact CG2-CE3 4.23Å; T131-W190 HydrophobicContact CG2-CG 3.42Å; T131-W190 VanDerWaalsContact CG2-CG 3.42Å
132Q97.7Very high97.9Very high150 Ų15051.7 Ų51.770%0.70126%0.26SS*.THydrogen-bonded Turntrans-60.9-23.9171.7-70.7166.137.700113.2D128 F129 I130D128-Q132 VanDerWaalsContact O-CG 3.32Å; D128-Q132 WeakPolarHBondContact O-CG 3.37Å; D128-Q132 PolarHBondContact O-NE2 2.91Å; F129-Q132 PolarHBondContact O-N 2.96Å; I130-Q132 VanDerWaalsContact C-N 3.26Å; I130-Q132 PolarHBondContact O-N 2.8Å
133N96.1Very high98Very high62 Ų6248 Ų4833%0.33224%0.24SC..THydrogen-bonded Turntrans-99.2-4.6-177.5-62.2-81.8000112.7I97 F129 I130 T131I97-N133 HydrophobicContact CD1-CB 3.53Å; I97-N133 VanDerWaalsContact CD1-O 3.25Å; I97-N133 WeakPolarHBondContact CD1-O 3.4Å; F129-N133 PolarHBondContact O-ND2 2.82Å; I130-N133 WeakPolarHBondContact O-CB 3.27Å; I130-N133 PolarHBondContact O-N 3.33Å; T131-N133 PolarHBondContact O-N 3.07Å
134L98.2Very high98.1Very high14 Ų1445.8 Ų45.87%0.07323%0.226CC..SBendtrans-91.8161.3-176.5-56.4-174.8000112.4I97 I130 T131 Y140 I183 W190 I204I97-L134 HydrophobicContact CD1-CD2 3.79Å; I97-L134 HydrophobicContact CG1-CD2 4.1Å; I130-L134 HydrophobicContact CG2-CD1 4.13Å; I130-L134 HydrophobicContact CG2-CD2 4.37Å; I130-L134 HydrophobicContact CG2-CG 4.31Å; T131-L134 HydrophobicContact CG2-CD1 4.26Å; T131-L134 PolarHBondContact O-N 3.49Å; L134-Y140 HydrophobicContact CB-CD2 4.34Å; L134-Y140 HydrophobicContact CB-CE2 3.76Å; L134-Y140 HydrophobicContact CD1-CD2 3.87Å; L134-Y140 HydrophobicContact CD1-CE2 4.17Å; L134-Y140 HydrophobicContact CD1-CG 4.43Å; L134-Y140 HydrophobicContact CD2-CD1 4.06Å; L134-Y140 HydrophobicContact CD2-CD2 3.98Å; L134-Y140 HydrophobicContact CD2-CE1 3.97Å; L134-Y140 HydrophobicContact CD2-CE2 3.92Å; L134-Y140 HydrophobicContact CD2-CG 4.06Å; L134-Y140 HydrophobicContact CG-CD2 4.28Å; L134-Y140 HydrophobicContact CG-CE2 4.14Å; L134-I183 HydrophobicContact CD1-CG2 3.94Å; L134-W190 HydrophobicContact CB-CH2 3.34Å; L134-W190 HydrophobicContact CB-CZ2 3.62Å; L134-W190 HydrophobicContact CB-CZ3 4.04Å; L134-W190 HydrophobicContact CD1-CE3 4.22Å; L134-W190 HydrophobicContact CD1-CH2 4Å; L134-W190 HydrophobicContact CD1-CZ3 3.79Å; L134-W190 HydrophobicContact CG-CH2 4.32Å; L134-I204 HydrophobicContact CD1-CD1 4.07Å; L134-I204 HydrophobicContact CD2-CD1 3.85Å; L134-I204 HydrophobicContact CD2-CG1 4.06Å
135K98.1Very high98.2Very high132 Ų13242.2 Ų42.257%0.57421%0.213SC*.  trans-99.9124174.4-57.5-57-178.2-171.80109.7N137 S138 Y140 W190K135-N137 PolarHBondContact O-N 2.96Å; K135-S138 WeakPolarHBondContact O-CB 3.44Å; K135-S138 PolarHBondContact O-N 3.05Å; K135-Y140 PolarHBondContact N-OH 3.23Å; K135-W190 WeakPolarHBondContact O-CH2 3.17Å
136I97.4Very high98.2Very high110 Ų11037 Ų3756%0.56419%0.188SC*.THydrogen-bonded Turntrans-56-25.5-176.159.7170.9000114.2S138 F185 W190I136-S138 VanDerWaalsContact C-N 3.31Å; I136-S138 PolarHBondContact O-N 3.01Å; I136-F185 HydrophobicContact CB-CB 4.2Å; I136-F185 HydrophobicContact CB-CD1 4.04Å; I136-F185 HydrophobicContact CB-CG 4.1Å; I136-F185 HydrophobicContact CG2-CD1 4.24Å; I136-F185 HydrophobicContact CG2-CD2 4.24Å; I136-F185 HydrophobicContact CG2-CE1 4.49Å; I136-F185 HydrophobicContact CG2-CE2 4.49Å; I136-F185 HydrophobicContact CG2-CG 4.09Å; I136-F185 WeakPolarHBondContact O-CB 3.45Å; I136-W190 HydrophobicContact CG2-CZ2 4.06Å
137N96.6Very high98.1Very high141 Ų14139.6 Ų39.675%0.75421%0.206SC*.THydrogen-bonded Turntrans-93.520.117967.7-17000113.2K135K135-N137 PolarHBondContact O-N 2.96Å
138S98.1Very high97.9Very high18 Ų1846.1 Ų46.113%0.12623%0.234CC..  trans-132.5158.5-176.8-63.20000111.2K135 I136 K202K135-S138 WeakPolarHBondContact O-CB 3.44Å; K135-S138 PolarHBondContact O-N 3.05Å; I136-S138 VanDerWaalsContact C-N 3.31Å; I136-S138 PolarHBondContact O-N 3.01Å; S138-K202 PolarHBondContact OG-NZ 3.07Å
139A98.6Very high97.7Very high12 Ų1244 Ų4410%0.09923%0.226CC..EExtended strand (participates in β ladder)trans-119.4147.1171.200000109.9I182 I183 N184 K202A139-I182 HydrophobicContact CB-CB 4.39Å; A139-I182 HydrophobicContact CB-CD1 3.61Å; A139-I183 WeakPolarHBondContact CA-O 3.49Å; A139-N184 HydrophobicContact CB-CB 3.94Å; A139-K202 WeakPolarHBondContact O-CB 3.32Å; A139-K202 PolarHBondContact O-N 3.39Å
140Y98.9Very high97.6Very high4 Ų451.1 Ų51.12%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-133.8127.8-173.8-57.4-96.9000110.6I97 L134 K135 I182 I183 W190 K202 I204I97-Y140 HydrophobicContact CG2-CD1 4.01Å; I97-Y140 HydrophobicContact CG2-CE1 3.51Å; L134-Y140 HydrophobicContact CB-CD2 4.34Å; L134-Y140 HydrophobicContact CB-CE2 3.76Å; L134-Y140 HydrophobicContact CD1-CD2 3.87Å; L134-Y140 HydrophobicContact CD1-CE2 4.17Å; L134-Y140 HydrophobicContact CD1-CG 4.43Å; L134-Y140 HydrophobicContact CD2-CD1 4.06Å; L134-Y140 HydrophobicContact CD2-CD2 3.98Å; L134-Y140 HydrophobicContact CD2-CE1 3.97Å; L134-Y140 HydrophobicContact CD2-CE2 3.92Å; L134-Y140 HydrophobicContact CD2-CG 4.06Å; L134-Y140 HydrophobicContact CG-CD2 4.28Å; L134-Y140 HydrophobicContact CG-CE2 4.14Å; K135-Y140 PolarHBondContact N-OH 3.23Å; Y140-I182 CarbonylContact O-C 3.43Å; Y140-I182 WeakPolarHBondContact O-CA 3.44Å; Y140-I182 WeakPolarHBondContact O-CB 3.39Å; Y140-I183 PolarHBondContact N-O 3.23Å; Y140-I183 PolarHBondContact O-N 3.13Å; Y140-W190 HydrophobicContact CE2-CH2 4.41Å; Y140-K202 CarbonylContact C-O 3.44Å; Y140-K202 VanDerWaalsContact CA-O 3.29Å; Y140-K202 WeakPolarHBondContact CA-O 3.44Å; Y140-K202 HydrophobicContact CD1-CB 3.46Å; Y140-K202 VanDerWaalsContact CD1-CB 3.46Å; Y140-K202 HydrophobicContact CD1-CD 4.34Å; Y140-K202 HydrophobicContact CE1-CB 3.69Å; Y140-K202 HydrophobicContact CE1-CD 3.69Å; Y140-K202 HydrophobicContact CE1-CG 4.33Å; Y140-K202 HydrophobicContact CG-CB 4.24Å; Y140-I204 HydrophobicContact CD1-CG1 4.14Å; Y140-I204 HydrophobicContact CG-CD1 4.11Å; Y140-I204 HydrophobicContact CG-CG1 4.22Å
141F98.9Very high97.4Very high0 Ų054.6 Ų54.60%027%0.265CS..EExtended strand (participates in β ladder)trans-62137.1174.4-78.6-51.8000112.2Q102 W104 L118 C180 I182 V195 V199 Q201 K202 I204Q102-F141 VanDerWaalsContact O-CE2 3.3Å; Q102-F141 WeakPolarHBondContact O-CE2 3.39Å; W104-F141 HydrophobicContact CB-CD1 4.22Å; W104-F141 HydrophobicContact CB-CD2 4.32Å; W104-F141 HydrophobicContact CB-CE1 3.98Å; W104-F141 HydrophobicContact CB-CE2 4.08Å; W104-F141 HydrophobicContact CB-CG 4.39Å; W104-F141 HydrophobicContact CB-CZ 3.91Å; W104-F141 AromaticContact CD1-CD1 3.52Å; W104-F141 AromaticContact CD1-CG 3.77Å; W104-F141 HydrophobicContact CG-CD1 4.28Å; W104-F141 HydrophobicContact CG-CE1 4.44Å; W104-F141 HydrophobicContact CG-CG 4.46Å; W104-F141 VanDerWaalsContact N-CE2 3.34Å; L118-F141 HydrophobicContact CD1-CB 4.44Å; L118-F141 HydrophobicContact CD2-CB 4.21Å; F141-C180 HydrophobicContact CE1-CB 4.16Å; F141-I182 HydrophobicContact CD1-CG2 3.43Å; F141-I182 VanDerWaalsContact CD1-CG2 3.43Å; F141-I182 HydrophobicContact CE1-CG2 3.7Å; F141-I182 HydrophobicContact CG-CG2 4.23Å; F141-V195 HydrophobicContact CE1-CG2 3.76Å; F141-V199 VanDerWaalsContact CZ-O 3.3Å; F141-V199 WeakPolarHBondContact CZ-O 3.33Å; F141-Q201 HydrophobicContact CD2-CB 3.7Å; F141-Q201 HydrophobicContact CD2-CG 4.4Å; F141-Q201 HydrophobicContact CE1-CB 4.39Å; F141-Q201 HydrophobicContact CE1-CG 4.1Å; F141-Q201 HydrophobicContact CE2-CB 3.53Å; F141-Q201 HydrophobicContact CE2-CG 3.86Å; F141-Q201 HydrophobicContact CG-CB 4.21Å; F141-Q201 HydrophobicContact CZ-CB 3.91Å; F141-Q201 HydrophobicContact CZ-CG 3.7Å; F141-K202 PolarHBondContact N-O 2.81Å; F141-I204 PolarHBondContact O-N 2.83Å
142L98.9Very high97.3Very high0 Ų059.4 Ų59.40%029%0.286CS..EExtended strand (participates in β ladder)trans-99.4161.7167.9-55.9179.1000109.4W104 V119 I121 L144 W155 A181 I183 W192W104-L142 PolarHBondContact NE1-O 3.36Å; V119-L142 HydrophobicContact CG1-CD2 3.55Å; I121-L142 HydrophobicContact CD1-CD1 4.42Å; I121-L142 HydrophobicContact CD1-CD2 3.81Å; L142-L144 HydrophobicContact CB-CB 4.32Å; L142-L144 PolarHBondContact O-N 3.34Å; L142-W155 HydrophobicContact CB-CZ3 4.45Å; L142-A181 HydrophobicContact CB-CB 4.42Å; L142-A181 HydrophobicContact CD1-CB 4.29Å; L142-A181 PolarHBondContact N-O 3.09Å; L142-I183 HydrophobicContact CD1-CB 4.36Å; L142-I183 HydrophobicContact CD2-CB 4.05Å; L142-I183 HydrophobicContact CD2-CG2 3.79Å; L142-I183 HydrophobicContact CG-CB 4.37Å; L142-I183 HydrophobicContact CG-CG2 4.47Å; L142-W192 HydrophobicContact CD1-CB 4.44Å; L142-W192 HydrophobicContact CD1-CD2 3.95Å; L142-W192 HydrophobicContact CD1-CG 3.77Å
143G98.8Very high97.3Very high0 Ų052.9 Ų52.90%026%0.255CS..EExtended strand (participates in β ladder)trans-74.529173.500000113.8V119 W155 V156V119-G143 PolarHBondContact O-N 2.75Å; G143-W155 CarbonylContact O-C 3.55Å; G143-W155 VanDerWaalsContact O-CA 3.28Å; G143-W155 WeakPolarHBondContact O-CA 3.23Å; G143-V156 WeakPolarHBondContact O-CG1 3.43Å; G143-V156 PolarHBondContact O-N 3.06Å
144L98.9Very high97.4Very high0 Ų055 Ų550%026%0.263CS..EExtended strand (participates in β ladder)trans-116.3126.7-173.6-171.161.1000110.1L142 W153 Q154 W155 Y161 W168 A181 W192L142-L144 HydrophobicContact CB-CB 4.32Å; L142-L144 PolarHBondContact O-N 3.34Å; L144-W153 HydrophobicContact CD1-CB 3.86Å; L144-W153 HydrophobicContact CD1-CE3 4.22Å; L144-W153 HydrophobicContact CD2-CE3 4.17Å; L144-W153 HydrophobicContact CG-CB 4.44Å; L144-W153 HydrophobicContact CG-CD2 4.31Å; L144-W153 HydrophobicContact CG-CE3 3.63Å; L144-W153 HydrophobicContact CG-CZ3 4.24Å; L144-Q154 WeakPolarHBondContact CA-O 3.06Å; L144-W155 HydrophobicContact CB-CD2 4.41Å; L144-W155 HydrophobicContact CB-CE3 3.74Å; L144-W155 HydrophobicContact CB-CH2 3.96Å; L144-W155 HydrophobicContact CB-CZ3 3.51Å; L144-W155 HydrophobicContact CD1-CD2 3.73Å; L144-W155 HydrophobicContact CD1-CE3 3.94Å; L144-W155 HydrophobicContact CD1-CG 4.26Å; L144-W155 HydrophobicContact CD1-CH2 4.29Å; L144-W155 HydrophobicContact CD1-CZ2 4.09Å; L144-W155 HydrophobicContact CD1-CZ3 4.24Å; L144-W155 HydrophobicContact CD2-CH2 4.04Å; L144-W155 HydrophobicContact CD2-CZ2 4.2Å; L144-W155 HydrophobicContact CD2-CZ3 4.46Å; L144-W155 HydrophobicContact CG-CE3 4.39Å; L144-W155 HydrophobicContact CG-CH2 4.32Å; L144-W155 HydrophobicContact CG-CZ3 4.27Å; L144-Y161 HydrophobicContact CD1-CD2 3.85Å; L144-Y161 HydrophobicContact CD1-CE2 4.11Å; L144-Y161 HydrophobicContact CD2-CE2 4.13Å; L144-W168 HydrophobicContact CD2-CH2 4.07Å; L144-W168 HydrophobicContact CD2-CZ2 3.69Å; L144-A181 HydrophobicContact CB-CB 3.84Å; L144-A181 HydrophobicContact CD2-CB 4.02Å; L144-A181 HydrophobicContact CG-CB 4.18Å; L144-A181 PolarHBondContact O-N 3.29Å; L144-W192 HydrophobicContact CD2-CE3 4.03Å; L144-W192 HydrophobicContact CD2-CZ3 3.95Å
145S98.7Very high97.4Very high14 Ų1455.2 Ų55.210%0.09826%0.263CS..EExtended strand (participates in β ladder)trans-144.4159.3178.665.40000112.5W153 Q154 R179S145-W153 VanDerWaalsContact C-CE3 3.41Å; S145-W153 CarbonylContact O-C 3.51Å; S145-W153 WeakPolarHBondContact O-CA 3.32Å; S145-Q154 PolarHBondContact N-O 3.03Å; S145-Q154 PolarHBondContact O-N 3.45Å; S145-R179 CarbonylContact C-O 3.58Å; S145-R179 WeakPolarHBondContact CA-O 3.47Å; S145-R179 VanDerWaalsContact CB-O 3.28Å; S145-R179 WeakPolarHBondContact CB-O 3.29Å
146D98.2Very high97.4Very high2 Ų250.4 Ų50.41%0.01124%0.244CC..  trans-123.879.9170.917519.8000109.1K148 G149 W150 R151 H152 W153 R179D146-K148 PolarHBondContact O-N 3.42Å; D146-G149 PolarHBondContact O-N 3.47Å; D146-G149 PolarHBondContact OD1-N 2.96Å; D146-G149 WeakPolarHBondContact OD2-CA 3.48Å; D146-W150 PolarHBondContact OD1-N 3.5Å; D146-W150 PolarHBondContact OD2-N 2.78Å; D146-R151 VanDerWaalsContact OD2-CA 3.24Å; D146-R151 WeakPolarHBondContact OD2-CA 3.38Å; D146-R151 PolarHBondContact OD2-N 2.91Å; D146-H152 PolarHBondContact OD1-N 3.04Å; D146-W153 HydrophobicContact CB-CD2 4.03Å; D146-W153 HydrophobicContact CB-CE3 3.97Å; D146-W153 HydrophobicContact CB-CH2 4.48Å; D146-W153 HydrophobicContact CB-CZ3 4.24Å; D146-R179 PolarHBondContact N-O 3.49Å; D146-R179 VanDerWaalsContact O-CB 3.31Å; D146-R179 WeakPolarHBondContact O-CB 3.19Å; D146-R179 WeakPolarHBondContact O-CD 3.34Å; D146-R179 VanDerWaalsContact O-CG 3.23Å; D146-R179 WeakPolarHBondContact O-CG 3.4Å
147P95.6Very high97.4Very high61 Ų6148.1 Ų48.140%0.39623%0.233SC..THydrogen-bonded Turntrans-59.2-24.9-168.2-26.535000114.6
148K94.9Very high97.4Very high140 Ų14049.8 Ų49.861%0.60924%0.236SC*.THydrogen-bonded Turntrans-99.6-9.1-177.9-59.3-57.1-177-175.10113.7D146 W150D146-K148 PolarHBondContact O-N 3.42Å; K148-W150 VanDerWaalsContact C-N 3.26Å; K148-W150 HydrophobicContact CB-CD2 3.8Å; K148-W150 HydrophobicContact CB-CE3 4.14Å; K148-W150 HydrophobicContact CB-CG 3.97Å; K148-W150 VanDerWaalsContact O-CD1 3.22Å; K148-W150 PolarHBondContact O-N 3.26Å; K148-W150 PolarHBondContact O-NE1 3.05Å
149G94.6Very high97.3Very high13 Ų1351 Ų5113%0.13424%0.243CC..SBendtrans67.526.7-17600000113D146 P176D146-G149 PolarHBondContact O-N 3.47Å; D146-G149 PolarHBondContact OD1-N 2.96Å; D146-G149 WeakPolarHBondContact OD2-CA 3.48Å; G149-P176 WeakPolarHBondContact CA-O 3.45Å
150W95.2Very high97.2Very high179 Ų17956.1 Ų56.168%0.67828%0.275SS*.SBendtrans-102.713-176.5-64.9-9.8000112.7D146 K148 H152D146-W150 PolarHBondContact OD1-N 3.5Å; D146-W150 PolarHBondContact OD2-N 2.78Å; K148-W150 VanDerWaalsContact C-N 3.26Å; K148-W150 HydrophobicContact CB-CD2 3.8Å; K148-W150 HydrophobicContact CB-CE3 4.14Å; K148-W150 HydrophobicContact CB-CG 3.97Å; K148-W150 VanDerWaalsContact O-CD1 3.22Å; K148-W150 PolarHBondContact O-N 3.26Å; K148-W150 PolarHBondContact O-NE1 3.05Å; W150-H152 PolarHBondContact O-N 2.88Å
151R93.9Very high97.1Very high78 Ų7858.2 Ų58.229%0.29428%0.284SS..SBendtrans58.329.1-169.1-53.1-59.4-163.9178.56.2112.5D146 W153 P173 N174 S175 D194D146-R151 VanDerWaalsContact OD2-CA 3.24Å; D146-R151 WeakPolarHBondContact OD2-CA 3.38Å; D146-R151 PolarHBondContact OD2-N 2.91Å; R151-W153 PolarHBondContact O-N 2.76Å; R151-P173 VanDerWaalsContact NH1-CB 3.34Å; R151-P173 PolarHBondContact NH1-O 3.3Å; R151-P173 PolarHBondContact NH2-O 2.96Å; R151-N174 PolarHBondContact NH2-O 2.87Å; R151-S175 PolarHBondContact NH1-O 3.35Å; R151-S175 VanDerWaalsContact NH1-O 3.13Å; R151-D194 IonicContact NH1-OD2 3.56Å; R151-D194 PolarHBondContact NH1-OD2 2.95Å; R151-D194 VanDerWaalsContact NH1-OD2 3.09Å
152H96Very high96.9Very high117 Ų11762.3 Ų62.354%0.54231%0.305SS..  trans-100.173.7173.9-68.7143.6000109.3D146 W150D146-H152 PolarHBondContact OD1-N 3.04Å; W150-H152 PolarHBondContact O-N 2.88Å
153W98.2Very high96.6Very high14 Ų1469.1 Ų69.15%0.05334%0.335CS..  trans-63.1137.8179.1-67.6100.1000112.2L144 S145 D146 R151 Y161 W168 P173 A181 D194L144-W153 HydrophobicContact CD1-CB 3.86Å; L144-W153 HydrophobicContact CD1-CE3 4.22Å; L144-W153 HydrophobicContact CD2-CE3 4.17Å; L144-W153 HydrophobicContact CG-CB 4.44Å; L144-W153 HydrophobicContact CG-CD2 4.31Å; L144-W153 HydrophobicContact CG-CE3 3.63Å; L144-W153 HydrophobicContact CG-CZ3 4.24Å; S145-W153 VanDerWaalsContact C-CE3 3.41Å; S145-W153 CarbonylContact O-C 3.51Å; S145-W153 WeakPolarHBondContact O-CA 3.32Å; D146-W153 HydrophobicContact CB-CD2 4.03Å; D146-W153 HydrophobicContact CB-CE3 3.97Å; D146-W153 HydrophobicContact CB-CH2 4.48Å; D146-W153 HydrophobicContact CB-CZ3 4.24Å; R151-W153 PolarHBondContact O-N 2.76Å; W153-Y161 HydrophobicContact CB-CD1 3.93Å; W153-Y161 HydrophobicContact CB-CD2 3.81Å; W153-Y161 HydrophobicContact CB-CE1 3.89Å; W153-Y161 HydrophobicContact CB-CE2 3.8Å; W153-Y161 HydrophobicContact CB-CG 3.86Å; W153-Y161 AromaticContact CD1-CZ 3.94Å; W153-Y161 HydrophobicContact CG-CE1 4.3Å; W153-Y161 HydrophobicContact CG-CE2 4.29Å; W153-Y161 WeakPolarHBondContact O-CB 3.39Å; W153-W168 HydrophobicContact CD2-CH2 4.19Å; W153-W168 AromaticContact CD2-CZ2 3.92Å; W153-W168 HydrophobicContact CD2-CZ2 3.92Å; W153-W168 AromaticContact CE2-CH2 3.78Å; W153-W168 AromaticContact CE2-CZ2 3.62Å; W153-W168 HydrophobicContact CE3-CH2 4.24Å; W153-W168 HydrophobicContact CE3-CZ2 4.31Å; W153-W168 HydrophobicContact CG-CZ2 4.46Å; W153-W168 AromaticContact CH2-CH2 3.49Å; W153-W168 HydrophobicContact CH2-CH2 3.49Å; W153-W168 VanDerWaalsContact CH2-CH2 3.49Å; W153-W168 HydrophobicContact CH2-CZ2 4.18Å; W153-W168 HydrophobicContact CH2-CZ3 4.36Å; W153-W168 AromaticContact CZ2-CH2 3.43Å; W153-W168 HydrophobicContact CZ2-CH2 3.43Å; W153-W168 VanDerWaalsContact CZ2-CH2 3.43Å; W153-W168 AromaticContact CZ2-CZ2 3.78Å; W153-W168 HydrophobicContact CZ2-CZ2 3.78Å; W153-W168 HydrophobicContact CZ2-CZ3 4.31Å; W153-W168 AromaticContact CZ3-CH2 3.89Å; W153-W168 HydrophobicContact CZ3-CH2 3.89Å; W153-W168 HydrophobicContact CZ3-CZ2 4.41Å; W153-W168 AromaticContact NE1-CZ2 3.99Å; W153-P173 HydrophobicContact CZ2-CB 3.6Å; W153-P173 HydrophobicContact CZ2-CG 3.88Å; W153-A181 HydrophobicContact CZ3-CB 4.18Å; W153-D194 HydrophobicContact CH2-CB 3.74Å; W153-D194 HydrophobicContact CZ2-CB 4.04Å
154Q98.3Very high96.3Very high107 Ų10776.2 Ų76.250%0.537%0.373SS..EExtended strand (participates in β ladder)trans-132.8133.1-175.8-62.8174.212.400109.8L144 S145L144-Q154 WeakPolarHBondContact CA-O 3.06Å; S145-Q154 PolarHBondContact N-O 3.03Å; S145-Q154 PolarHBondContact O-N 3.45Å
155W98.6Very high96Very high18 Ų1878.8 Ų78.87%0.06839%0.389CS..EExtended strand (participates in β ladder)trans-82.5143.4169-68118.3000110.7V120 I121 L142 G143 L144 D157 Q158 W192V120-W155 HydrophobicContact CB-CD2 4.3Å; V120-W155 HydrophobicContact CB-CE3 3.98Å; V120-W155 HydrophobicContact CB-CZ3 4.4Å; V120-W155 HydrophobicContact CG1-CB 4.21Å; V120-W155 HydrophobicContact CG1-CD2 3.67Å; V120-W155 HydrophobicContact CG1-CE3 3.86Å; V120-W155 HydrophobicContact CG1-CG 3.84Å; V120-W155 HydrophobicContact CG1-CZ3 4.41Å; V120-W155 HydrophobicContact CG2-CB 4.06Å; V120-W155 HydrophobicContact CG2-CD2 4.18Å; V120-W155 HydrophobicContact CG2-CE3 3.73Å; V120-W155 HydrophobicContact CG2-CG 4.36Å; V120-W155 HydrophobicContact CG2-CZ3 4.46Å; I121-W155 HydrophobicContact CB-CH2 4.42Å; L142-W155 HydrophobicContact CB-CZ3 4.45Å; G143-W155 CarbonylContact O-C 3.55Å; G143-W155 VanDerWaalsContact O-CA 3.28Å; G143-W155 WeakPolarHBondContact O-CA 3.23Å; L144-W155 HydrophobicContact CB-CD2 4.41Å; L144-W155 HydrophobicContact CB-CE3 3.74Å; L144-W155 HydrophobicContact CB-CH2 3.96Å; L144-W155 HydrophobicContact CB-CZ3 3.51Å; L144-W155 HydrophobicContact CD1-CD2 3.73Å; L144-W155 HydrophobicContact CD1-CE3 3.94Å; L144-W155 HydrophobicContact CD1-CG 4.26Å; L144-W155 HydrophobicContact CD1-CH2 4.29Å; L144-W155 HydrophobicContact CD1-CZ2 4.09Å; L144-W155 HydrophobicContact CD1-CZ3 4.24Å; L144-W155 HydrophobicContact CD2-CH2 4.04Å; L144-W155 HydrophobicContact CD2-CZ2 4.2Å; L144-W155 HydrophobicContact CD2-CZ3 4.46Å; L144-W155 HydrophobicContact CG-CE3 4.39Å; L144-W155 HydrophobicContact CG-CH2 4.32Å; L144-W155 HydrophobicContact CG-CZ3 4.27Å; W155-D157 WeakPolarHBondContact CB-OD1 3.41Å; W155-D157 PolarHBondContact O-N 3.27Å; W155-Q158 PolarHBondContact O-N 2.81Å; W155-W192 HydrophobicContact CH2-CH2 4.02Å; W155-W192 HydrophobicContact CH2-CZ2 4.35Å; W155-W192 HydrophobicContact CH2-CZ3 4.5Å; W155-W192 AromaticContact CZ2-CH2 3.9Å; W155-W192 HydrophobicContact CZ2-CH2 3.9Å; W155-W192 HydrophobicContact CZ2-CZ3 4.37Å
156V98.5Very high95.9Very high31 Ų3180 Ų8019%0.18840%0.395CS..THydrogen-bonded Turntrans-59.4-29.6177.7-71.30000113.5W104 D117 L118 V120 G143 Q158W104-V156 HydrophobicContact CH2-CG1 3.54Å; W104-V156 HydrophobicContact CZ2-CG1 3.5Å; D117-V156 HydrophobicContact CB-CG2 3.82Å; L118-V156 HydrophobicContact CB-CG2 4.44Å; L118-V156 WeakPolarHBondContact O-CG2 3.25Å; V120-V156 HydrophobicContact CG2-CG2 3.92Å; G143-V156 WeakPolarHBondContact O-CG1 3.43Å; G143-V156 PolarHBondContact O-N 3.06Å; V156-Q158 VanDerWaalsContact C-N 3.26Å; V156-Q158 PolarHBondContact O-N 3.3Å
157D97Very high95.9Very high62 Ų6281.9 Ų81.933%0.33240%0.404SS..THydrogen-bonded Turntrans-86.76.5177.775.3-11.4000113.6V120 W155 T159V120-D157 HydrophobicContact CG2-CB 4.18Å; W155-D157 WeakPolarHBondContact CB-OD1 3.41Å; W155-D157 PolarHBondContact O-N 3.27Å; D157-T159 VanDerWaalsContact CG-CG2 3.46Å; D157-T159 PolarHBondContact O-N 2.84Å; D157-T159 VanDerWaalsContact OD1-CB 3.27Å; D157-T159 WeakPolarHBondContact OD1-CB 3.5Å; D157-T159 VanDerWaalsContact OD1-CG2 3.29Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.43Å; D157-T159 PolarHBondContact OD1-N 3.11Å; D157-T159 PolarHBondContact OD1-OG1 2.77Å; D157-T159 WeakPolarHBondContact OD2-CG2 3.46Å
158Q97.1Very high96Very high175 Ų17580.9 Ų80.982%0.81839%0.392SS*.  trans63.514-179.3-56.5144.156.100114.3W155 V156W155-Q158 PolarHBondContact O-N 2.81Å; V156-Q158 VanDerWaalsContact C-N 3.26Å; V156-Q158 PolarHBondContact O-N 3.3Å
159T95.9Very high96.2Very high44 Ų4474.8 Ų74.827%0.2737%0.366SS..  trans-63.4145.1170.4540000110.9D157 Y161D157-T159 VanDerWaalsContact CG-CG2 3.46Å; D157-T159 PolarHBondContact O-N 2.84Å; D157-T159 VanDerWaalsContact OD1-CB 3.27Å; D157-T159 WeakPolarHBondContact OD1-CB 3.5Å; D157-T159 VanDerWaalsContact OD1-CG2 3.29Å; D157-T159 WeakPolarHBondContact OD1-CG2 3.43Å; D157-T159 PolarHBondContact OD1-N 3.11Å; D157-T159 PolarHBondContact OD1-OG1 2.77Å; D157-T159 WeakPolarHBondContact OD2-CG2 3.46Å; T159-Y161 PolarHBondContact O-N 2.89Å
160P96.6Very high96.4Very high120 Ų12080 Ų8078%0.77940%0.4SS*.  trans-61.3128.5178.9-24.134.3000112N162P160-N162 PolarHBondContact O-N 2.97Å
161Y97.1Very high96.4Very high48 Ų4874.5 Ų74.519%0.18840%0.399CS..  trans-70.3111.5171.5176.8-104.9000110.5L144 W153 T159 K163 T166 W168L144-Y161 HydrophobicContact CD1-CD2 3.85Å; L144-Y161 HydrophobicContact CD1-CE2 4.11Å; L144-Y161 HydrophobicContact CD2-CE2 4.13Å; W153-Y161 HydrophobicContact CB-CD1 3.93Å; W153-Y161 HydrophobicContact CB-CD2 3.81Å; W153-Y161 HydrophobicContact CB-CE1 3.89Å; W153-Y161 HydrophobicContact CB-CE2 3.8Å; W153-Y161 HydrophobicContact CB-CG 3.86Å; W153-Y161 AromaticContact CD1-CZ 3.94Å; W153-Y161 HydrophobicContact CG-CE1 4.3Å; W153-Y161 HydrophobicContact CG-CE2 4.29Å; W153-Y161 WeakPolarHBondContact O-CB 3.39Å; T159-Y161 PolarHBondContact O-N 2.89Å; Y161-K163 HydrophobicContact CD1-CG 4.12Å; Y161-K163 HydrophobicContact CE1-CG 3.54Å; Y161-T166 HydrophobicContact CE2-CG2 3.7Å; Y161-T166 WeakPolarHBondContact OH-CG2 3.27Å; Y161-W168 PolarHBondContact OH-NE1 2.9Å
162N94.8Very high96.6Very high85 Ų8572.2 Ų72.246%0.45539%0.392SS..  trans-99.7108.7177-175.3-7.4000110.6P160 N164 V165 T166P160-N162 PolarHBondContact O-N 2.97Å; N162-N164 PolarHBondContact O-N 3.09Å; N162-N164 VanDerWaalsContact O-N 3.09Å; N162-N164 WeakPolarHBondContact OD1-CB 3.33Å; N162-N164 PolarHBondContact OD1-N 2.92Å; N162-V165 CarbonylContact O-C 3.54Å; N162-V165 PolarHBondContact O-N 2.76Å; N162-T166 WeakPolarHBondContact O-CG2 3.41Å
163K92.8Very high96.7Very high143 Ų14368.2 Ų68.262%0.62238%0.376SS*.THydrogen-bonded Turntrans-57.1-26.1179.2-72.4-177.6179.7-175.30113.9Y161 V165 T166Y161-K163 HydrophobicContact CD1-CG 4.12Å; Y161-K163 HydrophobicContact CE1-CG 3.54Å; K163-V165 VanDerWaalsContact C-N 3.27Å; K163-V165 PolarHBondContact O-N 2.83Å; K163-T166 PolarHBondContact O-OG1 3.36Å
164N91.8Very high96.6Very high150 Ų15071.8 Ų71.880%0.80240%0.396SS*.THydrogen-bonded Turntrans-78.9-11.5-179.8-61.9-10.7000113.1N162N162-N164 PolarHBondContact O-N 3.09Å; N162-N164 VanDerWaalsContact O-N 3.09Å; N162-N164 WeakPolarHBondContact OD1-CB 3.33Å; N162-N164 PolarHBondContact OD1-N 2.92Å
165V93Very high96.5Very high54 Ų5467.7 Ų67.733%0.32738%0.38SS..SBendtrans-124.266179.3-168.80000108.2N122 N162 K163 F167N122-V165 WeakPolarHBondContact O-CG1 3.11Å; N162-V165 CarbonylContact O-C 3.54Å; N162-V165 PolarHBondContact O-N 2.76Å; K163-V165 VanDerWaalsContact C-N 3.27Å; K163-V165 PolarHBondContact O-N 2.83Å; V165-F167 HydrophobicContact CG1-CZ 4.2Å
166T96.8Very high96.3Very high39 Ų3970 Ų7024%0.23940%0.397CS..  trans-132.1153.2178.263.20000109.7Y161 N162 K163 W192Y161-T166 HydrophobicContact CE2-CG2 3.7Å; Y161-T166 WeakPolarHBondContact OH-CG2 3.27Å; N162-T166 WeakPolarHBondContact O-CG2 3.41Å; K163-T166 PolarHBondContact O-OG1 3.36Å; T166-W192 HydrophobicContact CG2-CH2 4.45Å; T166-W192 HydrophobicContact CG2-CZ3 3.86Å
167F97.8Very high96.2Very high42 Ų4273.3 Ų73.318%0.18441%0.413CS..  trans-128.140.8-175.6-48.4-68.1000111.3I121 K124 Q127 V165 G191 W192I121-F167 HydrophobicContact CG2-CD2 4.19Å; I121-F167 HydrophobicContact CG2-CE2 3.85Å; K124-F167 HydrophobicContact CB-CE1 3.96Å; K124-F167 HydrophobicContact CB-CZ 3.85Å; K124-F167 HydrophobicContact CD-CD1 4.22Å; K124-F167 HydrophobicContact CD-CE1 3.81Å; K124-F167 HydrophobicContact CD-CZ 4.26Å; K124-F167 HydrophobicContact CG-CE1 4.38Å; Q127-F167 HydrophobicContact CB-CD2 4.3Å; Q127-F167 HydrophobicContact CB-CE2 4.35Å; Q127-F167 VanDerWaalsContact NE2-CB 3.34Å; V165-F167 HydrophobicContact CG1-CZ 4.2Å; F167-G191 CarbonylContact O-C 3.6Å; F167-G191 VanDerWaalsContact O-CA 3.24Å; F167-G191 WeakPolarHBondContact O-CA 3.44Å; F167-W192 HydrophobicContact CB-CD2 4.26Å; F167-W192 HydrophobicContact CB-CZ2 4.21Å; F167-W192 AromaticContact CD2-CE2 3.83Å; F167-W192 HydrophobicContact CD2-CH2 4.08Å; F167-W192 AromaticContact CD2-CZ2 3.38Å; F167-W192 HydrophobicContact CD2-CZ2 3.38Å; F167-W192 HydrophobicContact CE2-CZ2 4.15Å; F167-W192 HydrophobicContact CG-CZ2 4.21Å; F167-W192 PolarHBondContact O-N 2.79Å
168W98.3Very high96.3Very high39 Ų3972 Ų7215%0.14841%0.405CS..BIsolated β-bridgetrans-58.5140.9173-63.3105000111.2L144 W153 Y161 E172 P173 A181 W192 D194L144-W168 HydrophobicContact CD2-CH2 4.07Å; L144-W168 HydrophobicContact CD2-CZ2 3.69Å; W153-W168 HydrophobicContact CD2-CH2 4.19Å; W153-W168 AromaticContact CD2-CZ2 3.92Å; W153-W168 HydrophobicContact CD2-CZ2 3.92Å; W153-W168 AromaticContact CE2-CH2 3.78Å; W153-W168 AromaticContact CE2-CZ2 3.62Å; W153-W168 HydrophobicContact CE3-CH2 4.24Å; W153-W168 HydrophobicContact CE3-CZ2 4.31Å; W153-W168 HydrophobicContact CG-CZ2 4.46Å; W153-W168 AromaticContact CH2-CH2 3.49Å; W153-W168 HydrophobicContact CH2-CH2 3.49Å; W153-W168 VanDerWaalsContact CH2-CH2 3.49Å; W153-W168 HydrophobicContact CH2-CZ2 4.18Å; W153-W168 HydrophobicContact CH2-CZ3 4.36Å; W153-W168 AromaticContact CZ2-CH2 3.43Å; W153-W168 HydrophobicContact CZ2-CH2 3.43Å; W153-W168 VanDerWaalsContact CZ2-CH2 3.43Å; W153-W168 AromaticContact CZ2-CZ2 3.78Å; W153-W168 HydrophobicContact CZ2-CZ2 3.78Å; W153-W168 HydrophobicContact CZ2-CZ3 4.31Å; W153-W168 AromaticContact CZ3-CH2 3.89Å; W153-W168 HydrophobicContact CZ3-CH2 3.89Å; W153-W168 HydrophobicContact CZ3-CZ2 4.41Å; W153-W168 AromaticContact NE1-CZ2 3.99Å; Y161-W168 PolarHBondContact OH-NE1 2.9Å; W168-E172 HydrophobicContact CB-CB 4.22Å; W168-E172 WeakPolarHBondContact CB-O 3.47Å; W168-E172 HydrophobicContact CE3-CB 3.96Å; W168-P173 HydrophobicContact CD2-CB 4.41Å; W168-P173 HydrophobicContact CD2-CG 4.36Å; W168-P173 HydrophobicContact CE3-CB 4.06Å; W168-P173 HydrophobicContact CE3-CG 4.5Å; W168-P173 HydrophobicContact CH2-CB 4.1Å; W168-P173 HydrophobicContact CH2-CG 4.48Å; W168-P173 HydrophobicContact CZ2-CB 4.41Å; W168-P173 HydrophobicContact CZ2-CG 4.3Å; W168-P173 HydrophobicContact CZ3-CB 3.91Å; W168-A181 HydrophobicContact CH2-CB 3.76Å; W168-A181 HydrophobicContact CZ3-CB 4.16Å; W168-W192 HydrophobicContact CD2-CB 3.96Å; W168-W192 HydrophobicContact CD2-CE3 4.04Å; W168-W192 AromaticContact CE2-CE3 3.78Å; W168-W192 HydrophobicContact CE3-CB 3.53Å; W168-W192 HydrophobicContact CG-CE3 4.3Å; W168-W192 HydrophobicContact CZ2-CE3 4.15Å; W168-W192 HydrophobicContact CZ3-CB 3.88Å; W168-W192 AromaticContact NE1-CE3 3.89Å; W168-D194 HydrophobicContact CZ3-CB 4.36Å
169H98.5Very high96.4Very high12 Ų1268.1 Ų68.16%0.05638%0.383CS..PPolyproline II helixtrans-59.4155.8166.1-79.8-61.6000110.4G171 E172 N184 G191 W192H169-G171 PolarHBondContact O-N 2.91Å; H169-G171 VanDerWaalsContact O-N 3.16Å; H169-E172 HydrophobicContact CB-CB 4.39Å; H169-E172 HydrophobicContact CB-CG 3.7Å; H169-E172 WeakPolarHBondContact O-CB 3.45Å; H169-E172 PolarHBondContact O-N 3.38Å; H169-N184 PolarHBondContact CD2-OD1 2.04Å; H169-N184 PolarHBondContact NE2-O 3.1Å; H169-N184 PolarHBondContact NE2-OD1 2.97Å; H169-N184 VanDerWaalsContact NE2-OD1 3.08Å; H169-G191 PolarHBondContact CD2-O 3.16Å; H169-G191 VanDerWaalsContact CE1-CA 3.43Å; H169-G191 WeakPolarHBondContact CE1-CA 3.31Å; H169-G191 PolarHBondContact CE1-N 3.14Å; H169-G191 VanDerWaalsContact NE2-C 3.32Å; H169-G191 VanDerWaalsContact NE2-CA 3.33Å; H169-G191 WeakPolarHBondContact NE2-CA 3.28Å; H169-G191 PolarHBondContact NE2-N 2.82Å; H169-G191 PolarHBondContact NE2-O 3.27Å; H169-W192 PolarHBondContact CD2-O 3.08Å; H169-W192 PolarHBondContact N-O 3.45Å
170S97.4Very high96.5Very high124 Ų12466.1 Ų66.187%0.86737%0.371SS*.THydrogen-bonded Turntrans-57.4122.6174.7178.30000110.8
171G96.6Very high96.6Very high63 Ų6360.4 Ų60.465%0.64933%0.334SS*.THydrogen-bonded Turntrans94.2-9.2-17700000114.5H169 N174H169-G171 PolarHBondContact O-N 2.91Å; H169-G171 VanDerWaalsContact O-N 3.16Å; G171-N174 WeakPolarHBondContact O-CB 3.48Å
172E97.9Very high96.7Very high30 Ų3058.3 Ų58.314%0.1433%0.326CS..  trans-96.9153.1177.1-51.2-56.7171.900111.7W168 H169 N174 R186 N193 D194W168-E172 HydrophobicContact CB-CB 4.22Å; W168-E172 WeakPolarHBondContact CB-O 3.47Å; W168-E172 HydrophobicContact CE3-CB 3.96Å; H169-E172 HydrophobicContact CB-CB 4.39Å; H169-E172 HydrophobicContact CB-CG 3.7Å; H169-E172 WeakPolarHBondContact O-CB 3.45Å; H169-E172 PolarHBondContact O-N 3.38Å; E172-N174 PolarHBondContact OE1-ND2 3.12Å; E172-N174 VanDerWaalsContact OE2-CB 3.27Å; E172-N174 WeakPolarHBondContact OE2-CB 3.21Å; E172-N174 PolarHBondContact OE2-N 2.96Å; E172-N174 PolarHBondContact OE2-ND2 3.4Å; E172-R186 IonicContact OE1-CZ 2.59Å; E172-R186 IonicContact OE1-NH1 2.72Å; E172-R186 PolarHBondContact OE1-NH1 3.33Å; E172-N193 HydrophobicContact CG-CB 4.33Å; E172-N193 PolarHBondContact OE1-OD1 2.03Å; E172-N193 PolarHBondContact OE2-OD1 2.96Å; E172-D194 VanDerWaalsContact OE2-OD1 3.08Å
173P97.4Very high96.9Very high32 Ų3254.3 Ų54.321%0.20830%0.304CS..SBendcis-77.2137.5-6.934.4-36000111.8R151 W153 W168 D194R151-P173 VanDerWaalsContact NH1-CB 3.34Å; R151-P173 PolarHBondContact NH1-O 3.3Å; R151-P173 PolarHBondContact NH2-O 2.96Å; W153-P173 HydrophobicContact CZ2-CB 3.6Å; W153-P173 HydrophobicContact CZ2-CG 3.88Å; W168-P173 HydrophobicContact CD2-CB 4.41Å; W168-P173 HydrophobicContact CD2-CG 4.36Å; W168-P173 HydrophobicContact CE3-CB 4.06Å; W168-P173 HydrophobicContact CE3-CG 4.5Å; W168-P173 HydrophobicContact CH2-CB 4.1Å; W168-P173 HydrophobicContact CH2-CG 4.48Å; W168-P173 HydrophobicContact CZ2-CB 4.41Å; W168-P173 HydrophobicContact CZ2-CG 4.3Å; W168-P173 HydrophobicContact CZ3-CB 3.91Å; P173-D194 WeakPolarHBondContact CA-OD1 3.43Å; P173-D194 HydrophobicContact CB-CB 3.85Å; P173-D194 WeakPolarHBondContact CB-OD1 3.15Å; P173-D194 VanDerWaalsContact CB-OD2 3.31Å; P173-D194 WeakPolarHBondContact CB-OD2 3.3Å
174N97.3Very high97.2Very high89 Ų8948.8 Ų48.848%0.47628%0.282SS..  trans-103.7-18.2-165.574.943.6000115.2R151 G171 E172 D194R151-N174 PolarHBondContact NH2-O 2.87Å; G171-N174 WeakPolarHBondContact O-CB 3.48Å; E172-N174 PolarHBondContact OE1-ND2 3.12Å; E172-N174 VanDerWaalsContact OE2-CB 3.27Å; E172-N174 WeakPolarHBondContact OE2-CB 3.21Å; E172-N174 PolarHBondContact OE2-N 2.96Å; E172-N174 PolarHBondContact OE2-ND2 3.4Å; N174-D194 PolarHBondContact N-OD1 3.21Å; N174-D194 PolarHBondContact N-OD2 3.39Å
175S96.2Very high97.5Very high22 Ų2245 Ų4515%0.15426%0.258CS..  trans-133.6134.9-172.3175.30000113.5R151 D177 E178 D194R151-S175 PolarHBondContact NH1-O 3.35Å; R151-S175 VanDerWaalsContact NH1-O 3.13Å; S175-D177 PolarHBondContact O-N 3.44Å; S175-D177 PolarHBondContact OG-N 2.56Å; S175-E178 PolarHBondContact O-N 3.48Å; S175-D194 PolarHBondContact N-OD2 3.47Å
176P94.4Very high97.6Very high67 Ų6746.3 Ų46.344%0.43526%0.257SS..SBendtrans-73.9-15.1174.732-35.7000113.7G149 R179G149-P176 WeakPolarHBondContact CA-O 3.45Å; P176-R179 PolarHBondContact O-NE 2.84Å
177D96.4Very high97.4Very high100 Ų10050 Ų5054%0.53529%0.285SS..SBendtrans-85.9-17.1176.1-65-40.4000111.9S175 R179S175-D177 PolarHBondContact O-N 3.44Å; S175-D177 PolarHBondContact OG-N 2.56Å; D177-R179 PolarHBondContact O-N 3.33Å
178E98.1Very high97.1Very high35 Ų3556.5 Ų56.516%0.16432%0.316CS..  trans-91.197.1175.2-65.6-158.2127.300110.2S175 D194 V195 H196S175-E178 PolarHBondContact O-N 3.48Å; E178-D194 HydrophobicContact CB-CB 3.78Å; E178-D194 WeakPolarHBondContact O-CB 3.28Å; E178-D194 VanDerWaalsContact OE2-O 3.13Å; E178-V195 CarbonylContact C-O 3.54Å; E178-V195 WeakPolarHBondContact CA-O 3.16Å; E178-H196 WeakPolarHBondContact CG-ND1 3.42Å; E178-H196 IonicContact OE1-CE1 3.61Å; E178-H196 IonicContact OE1-ND1 3.01Å; E178-H196 PolarHBondContact OE1-ND1 3.33Å
179R98.6Very high97Very high93 Ų9360 Ų6035%0.35133%0.333SS..  trans-106.94-164.6-65.2-177.6-171.3164.810.4114.7S145 D146 P176 D177 V195S145-R179 CarbonylContact C-O 3.58Å; S145-R179 WeakPolarHBondContact CA-O 3.47Å; S145-R179 VanDerWaalsContact CB-O 3.28Å; S145-R179 WeakPolarHBondContact CB-O 3.29Å; D146-R179 PolarHBondContact N-O 3.49Å; D146-R179 VanDerWaalsContact O-CB 3.31Å; D146-R179 WeakPolarHBondContact O-CB 3.19Å; D146-R179 WeakPolarHBondContact O-CD 3.34Å; D146-R179 VanDerWaalsContact O-CG 3.23Å; D146-R179 WeakPolarHBondContact O-CG 3.4Å; P176-R179 PolarHBondContact O-NE 2.84Å; D177-R179 PolarHBondContact O-N 3.33Å; R179-V195 PolarHBondContact N-O 2.72Å; R179-V195 VanDerWaalsContact N-O 3.14Å
180C98.8Very high97Very high1 Ų161.4 Ų61.41%0.00734%0.338CS..EExtended strand (participates in β ladder)trans-129.3142.8178.2-710000110.1W104 F141 D194 V195 C197W104-C180 HydrophobicContact CB-CB 4.13Å; W104-C180 VanDerWaalsContact CB-SG 3.52Å; W104-C180 HydrophobicContact CG-CB 3.9Å; F141-C180 HydrophobicContact CE1-CB 4.16Å; C180-D194 CarbonylContact O-C 3.59Å; C180-D194 WeakPolarHBondContact O-CA 3.46Å; C180-V195 PolarHBondContact N-O 3Å; C180-V195 VanDerWaalsContact N-O 3.14Å; C180-V195 WeakPolarHBondContact O-CG2 3.47Å; C180-V195 PolarHBondContact O-N 2.91Å; C180-C197 HydrophobicContact CB-CB 3.93Å; C180-C197 WeakPolarHBondContact CB-SG 3.1Å; C180-C197 PolarHBondContact N-SG 3.19Å; C180-C197 VanDerWaalsContact N-SG 3.43Å; C180-C197 WeakPolarHBondContact SG-CB 3.15Å; C180-C197 CovalentContact SG-SG 2.03Å; C180-C197 PolarHBondContact SG-SG 3.39Å
181A98.8Very high97.1Very high0 Ų055.6 Ų55.60%030%0.298CS..EExtended strand (participates in β ladder)trans-97141.3179.700000111.9L142 L144 W153 W168 N193L142-A181 HydrophobicContact CB-CB 4.42Å; L142-A181 HydrophobicContact CD1-CB 4.29Å; L142-A181 PolarHBondContact N-O 3.09Å; L144-A181 HydrophobicContact CB-CB 3.84Å; L144-A181 HydrophobicContact CD2-CB 4.02Å; L144-A181 HydrophobicContact CG-CB 4.18Å; L144-A181 PolarHBondContact O-N 3.29Å; W153-A181 HydrophobicContact CZ3-CB 4.18Å; W168-A181 HydrophobicContact CH2-CB 3.76Å; W168-A181 HydrophobicContact CZ3-CB 4.16Å; A181-N193 WeakPolarHBondContact CA-O 3.31Å
182I98.9Very high97.2Very high5 Ų552.6 Ų52.63%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-116.9158.2165.454.4164000109.9A139 Y140 F141 N184 W192 N193 V195 Q201A139-I182 HydrophobicContact CB-CB 4.39Å; A139-I182 HydrophobicContact CB-CD1 3.61Å; Y140-I182 CarbonylContact O-C 3.43Å; Y140-I182 WeakPolarHBondContact O-CA 3.44Å; Y140-I182 WeakPolarHBondContact O-CB 3.39Å; F141-I182 HydrophobicContact CD1-CG2 3.43Å; F141-I182 VanDerWaalsContact CD1-CG2 3.43Å; F141-I182 HydrophobicContact CE1-CG2 3.7Å; F141-I182 HydrophobicContact CG-CG2 4.23Å; I182-N184 HydrophobicContact CD1-CB 4.42Å; I182-W192 CarbonylContact O-C 3.51Å; I182-W192 WeakPolarHBondContact O-CA 3.23Å; I182-N193 HydrophobicContact CD1-CB 4.32Å; I182-N193 HydrophobicContact CG1-CB 4Å; I182-N193 VanDerWaalsContact CG1-O 3.3Å; I182-N193 WeakPolarHBondContact CG1-O 3.46Å; I182-N193 PolarHBondContact N-O 3.3Å; I182-N193 PolarHBondContact O-N 3.01Å; I182-V195 HydrophobicContact CD1-CG1 3.59Å; I182-V195 HydrophobicContact CG1-CG1 3.8Å; I182-V195 HydrophobicContact CG1-CG2 4.3Å; I182-V195 HydrophobicContact CG2-CG2 3.76Å; I182-Q201 HydrophobicContact CG2-CB 4.47Å; I182-Q201 HydrophobicContact CG2-CG 4.04Å
183I98.9Very high97.2Very high0 Ų051.6 Ų51.60%026%0.263CS..EExtended strand (participates in β ladder)trans-103.3131.6159.7-172.1168.2000109.3Q127 T131 L134 A139 Y140 L142 W190 G191 I204Q127-I183 HydrophobicContact CG-CD1 4Å; T131-I183 HydrophobicContact CG2-CD1 3.6Å; L134-I183 HydrophobicContact CD1-CG2 3.94Å; A139-I183 WeakPolarHBondContact CA-O 3.49Å; Y140-I183 PolarHBondContact N-O 3.23Å; Y140-I183 PolarHBondContact O-N 3.13Å; L142-I183 HydrophobicContact CD1-CB 4.36Å; L142-I183 HydrophobicContact CD2-CB 4.05Å; L142-I183 HydrophobicContact CD2-CG2 3.79Å; L142-I183 HydrophobicContact CG-CB 4.37Å; L142-I183 HydrophobicContact CG-CG2 4.47Å; I183-W190 HydrophobicContact CG1-CE3 4Å; I183-G191 WeakPolarHBondContact CA-O 3.33Å; I183-I204 HydrophobicContact CG2-CD1 3.89Å
184N98.7Very high97.3Very high27 Ų2750 Ų5014%0.14425%0.253CS..EExtended strand (participates in β ladder)trans-147.2167.1175.978.3-15.2000111.9A139 H169 I182 R186 W190 G191A139-N184 HydrophobicContact CB-CB 3.94Å; H169-N184 PolarHBondContact CD2-OD1 2.04Å; H169-N184 PolarHBondContact NE2-O 3.1Å; H169-N184 PolarHBondContact NE2-OD1 2.97Å; H169-N184 VanDerWaalsContact NE2-OD1 3.08Å; I182-N184 HydrophobicContact CD1-CB 4.42Å; N184-R186 PolarHBondContact ND2-NE 2.98Å; N184-R186 PolarHBondContact OD1-NE 3.05Å; N184-W190 VanDerWaalsContact C-CE3 3.4Å; N184-G191 PolarHBondContact N-O 3.14Å; N184-G191 PolarHBondContact O-N 3.42Å; N184-G191 VanDerWaalsContact O-N 3.09Å
185F98.4Very high97.4Very high70 Ų7046.4 Ų46.431%0.30723%0.234SC..EExtended strand (participates in β ladder)trans-96.3121.2179.8-166-100.8000110.3I136 E188 E189 W190I136-F185 HydrophobicContact CB-CB 4.2Å; I136-F185 HydrophobicContact CB-CD1 4.04Å; I136-F185 HydrophobicContact CB-CG 4.1Å; I136-F185 HydrophobicContact CG2-CD1 4.24Å; I136-F185 HydrophobicContact CG2-CD2 4.24Å; I136-F185 HydrophobicContact CG2-CE1 4.49Å; I136-F185 HydrophobicContact CG2-CE2 4.49Å; I136-F185 HydrophobicContact CG2-CG 4.09Å; I136-F185 WeakPolarHBondContact O-CB 3.45Å; F185-E188 VanDerWaalsContact CE2-C 3.46Å; F185-E188 WeakPolarHBondContact CE2-O 3.35Å; F185-E188 HydrophobicContact CZ-CB 4.41Å; F185-E188 VanDerWaalsContact CZ-O 3.3Å; F185-E188 WeakPolarHBondContact CZ-O 3.36Å; F185-E189 CarbonylContact C-O 3.55Å; F185-E189 VanDerWaalsContact CA-O 3.31Å; F185-E189 WeakPolarHBondContact CA-O 3.15Å; F185-E189 WeakPolarHBondContact CD2-O 3.24Å; F185-W190 HydrophobicContact CB-CD2 4.14Å; F185-W190 HydrophobicContact CB-CE3 4.11Å; F185-W190 HydrophobicContact CB-CH2 4.28Å; F185-W190 HydrophobicContact CB-CZ2 4.3Å; F185-W190 HydrophobicContact CB-CZ3 4.19Å; F185-W190 AromaticContact CD2-CD1 3.66Å; F185-W190 AromaticContact CD2-CD2 3.89Å; F185-W190 HydrophobicContact CD2-CD2 3.89Å; F185-W190 AromaticContact CD2-CE2 3.76Å; F185-W190 AromaticContact CD2-CG 3.85Å; F185-W190 HydrophobicContact CD2-CG 3.85Å; F185-W190 HydrophobicContact CD2-CZ2 4.43Å; F185-W190 AromaticContact CD2-NE1 3.6Å
186R95.9Very high97.5Very high82 Ų8248.9 Ų48.931%0.30924%0.243SC..EExtended strand (participates in β ladder)trans-136.1141.8176.7-58.8-179-174-166.7-13.1108.6E172 N184 E188 E189 N193E172-R186 IonicContact OE1-CZ 2.59Å; E172-R186 IonicContact OE1-NH1 2.72Å; E172-R186 PolarHBondContact OE1-NH1 3.33Å; N184-R186 PolarHBondContact ND2-NE 2.98Å; N184-R186 PolarHBondContact OD1-NE 3.05Å; R186-E188 PolarHBondContact O-N 3.44Å; R186-E188 VanDerWaalsContact O-N 3.1Å; R186-E189 PolarHBondContact N-O 3.43Å; R186-E189 WeakPolarHBondContact O-CG 3.32Å; R186-E189 PolarHBondContact O-N 2.99Å; R186-N193 PolarHBondContact NH1-OD1 3.14Å; R186-N193 PolarHBondContact NH2-ND2 2.77Å; R186-N193 VanDerWaalsContact NH2-ND2 3.11Å; R186-N193 PolarHBondContact NH2-OD1 2.76Å
187S91.3Very high97.7Very high117 Ų11747.4 Ų47.482%0.81823%0.234SC*.THydrogen-bonded Turntrans47.744173.6-55.50000114.5E189S187-E189 VanDerWaalsContact C-N 3.29Å; S187-E189 PolarHBondContact O-N 3.4Å
188E92.7Very high97.8Very high179 Ų17949 Ų4984%0.83624%0.237SC*.THydrogen-bonded Turntrans71.410179.8-52.1-175.3173.200116.4F185 R186F185-E188 VanDerWaalsContact CE2-C 3.46Å; F185-E188 WeakPolarHBondContact CE2-O 3.35Å; F185-E188 HydrophobicContact CZ-CB 4.41Å; F185-E188 VanDerWaalsContact CZ-O 3.3Å; F185-E188 WeakPolarHBondContact CZ-O 3.36Å; R186-E188 PolarHBondContact O-N 3.44Å; R186-E188 VanDerWaalsContact O-N 3.1Å
189E96.7Very high97.8Very high111 Ų11149.9 Ų49.952%0.51925%0.245SC..EExtended strand (participates in β ladder)trans-13515617864.1-178.3167.200114.2F185 R186 S187F185-E189 CarbonylContact C-O 3.55Å; F185-E189 VanDerWaalsContact CA-O 3.31Å; F185-E189 WeakPolarHBondContact CA-O 3.15Å; F185-E189 WeakPolarHBondContact CD2-O 3.24Å; R186-E189 PolarHBondContact N-O 3.43Å; R186-E189 WeakPolarHBondContact O-CG 3.32Å; R186-E189 PolarHBondContact O-N 2.99Å; S187-E189 VanDerWaalsContact C-N 3.29Å; S187-E189 PolarHBondContact O-N 3.4Å
190W98.6Very high97.8Very high43 Ų4348.6 Ų48.616%0.16325%0.249CC..EExtended strand (participates in β ladder)trans-90134.5171-72.3100.4000110.5T131 L134 K135 I136 Y140 I183 N184 F185T131-W190 HydrophobicContact CG2-CB 3.62Å; T131-W190 HydrophobicContact CG2-CD2 3.7Å; T131-W190 HydrophobicContact CG2-CE3 4.23Å; T131-W190 HydrophobicContact CG2-CG 3.42Å; T131-W190 VanDerWaalsContact CG2-CG 3.42Å; L134-W190 HydrophobicContact CB-CH2 3.34Å; L134-W190 HydrophobicContact CB-CZ2 3.62Å; L134-W190 HydrophobicContact CB-CZ3 4.04Å; L134-W190 HydrophobicContact CD1-CE3 4.22Å; L134-W190 HydrophobicContact CD1-CH2 4Å; L134-W190 HydrophobicContact CD1-CZ3 3.79Å; L134-W190 HydrophobicContact CG-CH2 4.32Å; K135-W190 WeakPolarHBondContact O-CH2 3.17Å; I136-W190 HydrophobicContact CG2-CZ2 4.06Å; Y140-W190 HydrophobicContact CE2-CH2 4.41Å; I183-W190 HydrophobicContact CG1-CE3 4Å; N184-W190 VanDerWaalsContact C-CE3 3.4Å; F185-W190 HydrophobicContact CB-CD2 4.14Å; F185-W190 HydrophobicContact CB-CE3 4.11Å; F185-W190 HydrophobicContact CB-CH2 4.28Å; F185-W190 HydrophobicContact CB-CZ2 4.3Å; F185-W190 HydrophobicContact CB-CZ3 4.19Å; F185-W190 AromaticContact CD2-CD1 3.66Å; F185-W190 AromaticContact CD2-CD2 3.89Å; F185-W190 HydrophobicContact CD2-CD2 3.89Å; F185-W190 AromaticContact CD2-CE2 3.76Å; F185-W190 AromaticContact CD2-CG 3.85Å; F185-W190 HydrophobicContact CD2-CG 3.85Å; F185-W190 HydrophobicContact CD2-CZ2 4.43Å; F185-W190 AromaticContact CD2-NE1 3.6Å
191G98.6Very high97.8Very high2 Ų250.1 Ų50.12%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-161171.9178.300000112F167 H169 I183 N184F167-G191 CarbonylContact O-C 3.6Å; F167-G191 VanDerWaalsContact O-CA 3.24Å; F167-G191 WeakPolarHBondContact O-CA 3.44Å; H169-G191 PolarHBondContact CD2-O 3.16Å; H169-G191 VanDerWaalsContact CE1-CA 3.43Å; H169-G191 WeakPolarHBondContact CE1-CA 3.31Å; H169-G191 PolarHBondContact CE1-N 3.14Å; H169-G191 VanDerWaalsContact NE2-C 3.32Å; H169-G191 VanDerWaalsContact NE2-CA 3.33Å; H169-G191 WeakPolarHBondContact NE2-CA 3.28Å; H169-G191 PolarHBondContact NE2-N 2.82Å; H169-G191 PolarHBondContact NE2-O 3.27Å; I183-G191 WeakPolarHBondContact CA-O 3.33Å; N184-G191 PolarHBondContact N-O 3.14Å; N184-G191 PolarHBondContact O-N 3.42Å; N184-G191 VanDerWaalsContact O-N 3.09Å
192W98.7Very high97.8Very high0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-91.1150.4-177.9-49-14.4000111.4I121 L142 L144 W155 T166 F167 W168 H169 I182I121-W192 HydrophobicContact CB-CZ2 4.02Å; I121-W192 HydrophobicContact CD1-CZ2 4.2Å; I121-W192 HydrophobicContact CG2-CZ2 4.15Å; L142-W192 HydrophobicContact CD1-CB 4.44Å; L142-W192 HydrophobicContact CD1-CD2 3.95Å; L142-W192 HydrophobicContact CD1-CG 3.77Å; L144-W192 HydrophobicContact CD2-CE3 4.03Å; L144-W192 HydrophobicContact CD2-CZ3 3.95Å; W155-W192 HydrophobicContact CH2-CH2 4.02Å; W155-W192 HydrophobicContact CH2-CZ2 4.35Å; W155-W192 HydrophobicContact CH2-CZ3 4.5Å; W155-W192 AromaticContact CZ2-CH2 3.9Å; W155-W192 HydrophobicContact CZ2-CH2 3.9Å; W155-W192 HydrophobicContact CZ2-CZ3 4.37Å; T166-W192 HydrophobicContact CG2-CH2 4.45Å; T166-W192 HydrophobicContact CG2-CZ3 3.86Å; F167-W192 HydrophobicContact CB-CD2 4.26Å; F167-W192 HydrophobicContact CB-CZ2 4.21Å; F167-W192 AromaticContact CD2-CE2 3.83Å; F167-W192 HydrophobicContact CD2-CH2 4.08Å; F167-W192 AromaticContact CD2-CZ2 3.38Å; F167-W192 HydrophobicContact CD2-CZ2 3.38Å; F167-W192 HydrophobicContact CE2-CZ2 4.15Å; F167-W192 HydrophobicContact CG-CZ2 4.21Å; F167-W192 PolarHBondContact O-N 2.79Å; W168-W192 HydrophobicContact CD2-CB 3.96Å; W168-W192 HydrophobicContact CD2-CE3 4.04Å; W168-W192 AromaticContact CE2-CE3 3.78Å; W168-W192 HydrophobicContact CE3-CB 3.53Å; W168-W192 HydrophobicContact CG-CE3 4.3Å; W168-W192 HydrophobicContact CZ2-CE3 4.15Å; W168-W192 HydrophobicContact CZ3-CB 3.88Å; W168-W192 AromaticContact NE1-CE3 3.89Å; H169-W192 PolarHBondContact CD2-O 3.08Å; H169-W192 PolarHBondContact N-O 3.45Å; I182-W192 CarbonylContact O-C 3.51Å; I182-W192 WeakPolarHBondContact O-CA 3.23Å
193N98.8Very high97.8Very high8 Ų851.9 Ų51.94%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-144137.3176.6174.977.8000109.7E172 A181 I182 R186 V195E172-N193 HydrophobicContact CG-CB 4.33Å; E172-N193 PolarHBondContact OE1-OD1 2.03Å; E172-N193 PolarHBondContact OE2-OD1 2.96Å; A181-N193 WeakPolarHBondContact CA-O 3.31Å; I182-N193 HydrophobicContact CD1-CB 4.32Å; I182-N193 HydrophobicContact CG1-CB 4Å; I182-N193 VanDerWaalsContact CG1-O 3.3Å; I182-N193 WeakPolarHBondContact CG1-O 3.46Å; I182-N193 PolarHBondContact N-O 3.3Å; I182-N193 PolarHBondContact O-N 3.01Å; R186-N193 PolarHBondContact NH1-OD1 3.14Å; R186-N193 PolarHBondContact NH2-ND2 2.77Å; R186-N193 VanDerWaalsContact NH2-ND2 3.11Å; R186-N193 PolarHBondContact NH2-OD1 2.76Å; N193-V195 WeakPolarHBondContact ND2-CG1 3.42Å
194D98.7Very high97.8Very high0 Ų052 Ų520%026%0.264CS..EExtended strand (participates in β ladder)trans-75.6141170.453.9-30.6000109.9R151 W153 W168 E172 P173 N174 S175 E178 C180R151-D194 IonicContact NH1-OD2 3.56Å; R151-D194 PolarHBondContact NH1-OD2 2.95Å; R151-D194 VanDerWaalsContact NH1-OD2 3.09Å; W153-D194 HydrophobicContact CH2-CB 3.74Å; W153-D194 HydrophobicContact CZ2-CB 4.04Å; W168-D194 HydrophobicContact CZ3-CB 4.36Å; E172-D194 VanDerWaalsContact OE2-OD1 3.08Å; P173-D194 WeakPolarHBondContact CA-OD1 3.43Å; P173-D194 HydrophobicContact CB-CB 3.85Å; P173-D194 WeakPolarHBondContact CB-OD1 3.15Å; P173-D194 VanDerWaalsContact CB-OD2 3.31Å; P173-D194 WeakPolarHBondContact CB-OD2 3.3Å; N174-D194 PolarHBondContact N-OD1 3.21Å; N174-D194 PolarHBondContact N-OD2 3.39Å; S175-D194 PolarHBondContact N-OD2 3.47Å; E178-D194 HydrophobicContact CB-CB 3.78Å; E178-D194 WeakPolarHBondContact O-CB 3.28Å; E178-D194 VanDerWaalsContact OE2-O 3.13Å; C180-D194 CarbonylContact O-C 3.59Å; C180-D194 WeakPolarHBondContact O-CA 3.46Å
195V98.7Very high97.8Very high13 Ų1350.7 Ų50.78%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-140.6162.8176.2-64.70000111.2F141 E178 R179 C180 I182 N193 C197F141-V195 HydrophobicContact CE1-CG2 3.76Å; E178-V195 CarbonylContact C-O 3.54Å; E178-V195 WeakPolarHBondContact CA-O 3.16Å; R179-V195 PolarHBondContact N-O 2.72Å; R179-V195 VanDerWaalsContact N-O 3.14Å; C180-V195 PolarHBondContact N-O 3Å; C180-V195 VanDerWaalsContact N-O 3.14Å; C180-V195 WeakPolarHBondContact O-CG2 3.47Å; C180-V195 PolarHBondContact O-N 2.91Å; I182-V195 HydrophobicContact CD1-CG1 3.59Å; I182-V195 HydrophobicContact CG1-CG1 3.8Å; I182-V195 HydrophobicContact CG1-CG2 4.3Å; I182-V195 HydrophobicContact CG2-CG2 3.76Å; N193-V195 WeakPolarHBondContact ND2-CG1 3.42Å; V195-C197 PolarHBondContact O-N 3.29Å
196H98.7Very high97.8Very high73 Ų7348.7 Ų48.734%0.33825%0.248SC..  trans-61.6120.5166-68.575.7000110.8E178 H198 V199E178-H196 WeakPolarHBondContact CG-ND1 3.42Å; E178-H196 IonicContact OE1-CE1 3.61Å; E178-H196 IonicContact OE1-ND1 3.01Å; E178-H196 PolarHBondContact OE1-ND1 3.33Å; H196-H198 AromaticContact CD2-NE2 3.85Å; H196-H198 PolarHBondContact O-N 3.4Å; H196-V199 HydrophobicContact CB-CG2 3.81Å; H196-V199 WeakPolarHBondContact O-CB 2.99Å; H196-V199 PolarHBondContact O-N 2.94Å
197C98.7Very high97.9Very high37 Ų3745.8 Ų45.825%0.2524%0.239CC..THydrogen-bonded Turntrans-58.8-24.8-174.1-61.30000115.2W104 C180 V195W104-C197 HydrophobicContact CB-CB 4.18Å; W104-C197 PolarHBondContact N-O 3.01Å; C180-C197 HydrophobicContact CB-CB 3.93Å; C180-C197 WeakPolarHBondContact CB-SG 3.1Å; C180-C197 PolarHBondContact N-SG 3.19Å; C180-C197 VanDerWaalsContact N-SG 3.43Å; C180-C197 WeakPolarHBondContact SG-CB 3.15Å; C180-C197 CovalentContact SG-SG 2.03Å; C180-C197 PolarHBondContact SG-SG 3.39Å; V195-C197 PolarHBondContact O-N 3.29Å
198H98.4Very high98.1Very high132 Ų13248.5 Ų48.561%0.61124%0.236SC*.THydrogen-bonded Turntrans-82.7-13.1-179.866.971.3000113H196 P200H196-H198 AromaticContact CD2-NE2 3.85Å; H196-H198 PolarHBondContact O-N 3.4Å; H198-P200 VanDerWaalsContact O-CD 3.29Å; H198-P200 WeakPolarHBondContact O-CD 3.08Å
199V98.5Very high98.2Very high55 Ų5540.5 Ų40.533%0.33320%0.198SC..SBendtrans-71.4120.3178.6175.90000107.7F141 H196 Q201F141-V199 VanDerWaalsContact CZ-O 3.3Å; F141-V199 WeakPolarHBondContact CZ-O 3.33Å; H196-V199 HydrophobicContact CB-CG2 3.81Å; H196-V199 WeakPolarHBondContact O-CB 2.99Å; H196-V199 PolarHBondContact O-N 2.94Å; V199-Q201 PolarHBondContact O-N 2.9Å
200P98.8Very high98Very high66 Ų6635.6 Ų35.643%0.42918%0.175SC..  trans-62.7132.6-177.3-24.535.6000111.7M101 Q102 H198M101-P200 HydrophobicContact CB-CB 4.03Å; M101-P200 WeakPolarHBondContact CE-O 3.3Å; Q102-P200 CarbonylContact O-C 3.52Å; Q102-P200 VanDerWaalsContact O-CA 3.26Å; Q102-P200 WeakPolarHBondContact O-CA 3.48Å; H198-P200 VanDerWaalsContact O-CD 3.29Å; H198-P200 WeakPolarHBondContact O-CD 3.08Å
201Q98.8Very high97.4Very high32 Ų3237.9 Ų37.915%0.1519%0.185CC..EExtended strand (participates in β ladder)trans-138.3167.2173.7-56.6-67.2-8.500110M101 Q102 F141 I182 V199M101-Q201 WeakPolarHBondContact CA-O 3.3Å; Q102-Q201 PolarHBondContact N-O 2.97Å; Q102-Q201 PolarHBondContact O-N 3.09Å; F141-Q201 HydrophobicContact CD2-CB 3.7Å; F141-Q201 HydrophobicContact CD2-CG 4.4Å; F141-Q201 HydrophobicContact CE1-CB 4.39Å; F141-Q201 HydrophobicContact CE1-CG 4.1Å; F141-Q201 HydrophobicContact CE2-CB 3.53Å; F141-Q201 HydrophobicContact CE2-CG 3.86Å; F141-Q201 HydrophobicContact CG-CB 4.21Å; F141-Q201 HydrophobicContact CZ-CB 3.91Å; F141-Q201 HydrophobicContact CZ-CG 3.7Å; I182-Q201 HydrophobicContact CG2-CB 4.47Å; I182-Q201 HydrophobicContact CG2-CG 4.04Å; V199-Q201 PolarHBondContact O-N 2.9Å
202K98.9Very high96.5Very high42 Ų4239.3 Ų39.318%0.18319%0.191CC..EExtended strand (participates in β ladder)trans-69.4172.1164.9-62.7-179.7-175.2166.30109.1S98 M101 S138 A139 Y140 F141S98-K202 VanDerWaalsContact O-CB 3.32Å; S98-K202 WeakPolarHBondContact O-CB 3.45Å; M101-K202 HydrophobicContact SD-CG 3.69Å; S138-K202 PolarHBondContact OG-NZ 3.07Å; A139-K202 WeakPolarHBondContact O-CB 3.32Å; A139-K202 PolarHBondContact O-N 3.39Å; Y140-K202 CarbonylContact C-O 3.44Å; Y140-K202 VanDerWaalsContact CA-O 3.29Å; Y140-K202 WeakPolarHBondContact CA-O 3.44Å; Y140-K202 HydrophobicContact CD1-CB 3.46Å; Y140-K202 VanDerWaalsContact CD1-CB 3.46Å; Y140-K202 HydrophobicContact CD1-CD 4.34Å; Y140-K202 HydrophobicContact CE1-CB 3.69Å; Y140-K202 HydrophobicContact CE1-CD 3.69Å; Y140-K202 HydrophobicContact CE1-CG 4.33Å; Y140-K202 HydrophobicContact CG-CB 4.24Å; F141-K202 PolarHBondContact N-O 2.81Å
203S98.9Very high96.4Very high1 Ų141.3 Ų41.31%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-145.2161.6179.163.70000112.9S98S98-S203 WeakPolarHBondContact CB-OG 3.26Å; S98-S203 PolarHBondContact N-O 3.31Å; S98-S203 PolarHBondContact O-N 3.34Å; S98-S203 VanDerWaalsContact O-N 3.12Å
204I98.9Very high96.3Very high1 Ų143.1 Ų43.11%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-121.3123.1174.9-56.7150000107F96 L118 V119 I130 L134 Y140 F141 I183F96-I204 CarbonylContact O-C 3.5Å; F96-I204 WeakPolarHBondContact O-CA 3.43Å; L118-I204 CarbonylContact C-O 3.47Å; L118-I204 WeakPolarHBondContact CA-O 3.47Å; V119-I204 HydrophobicContact CB-CB 4.09Å; V119-I204 HydrophobicContact CB-CG2 3.82Å; V119-I204 HydrophobicContact CG1-CB 3.66Å; V119-I204 HydrophobicContact CG1-CD1 4.25Å; V119-I204 HydrophobicContact CG1-CG2 3.84Å; V119-I204 HydrophobicContact CG2-CG2 4.3Å; V119-I204 PolarHBondContact N-O 3.29Å; I130-I204 HydrophobicContact CG2-CD1 3.81Å; I130-I204 HydrophobicContact CG2-CG2 4.49Å; L134-I204 HydrophobicContact CD1-CD1 4.07Å; L134-I204 HydrophobicContact CD2-CD1 3.85Å; L134-I204 HydrophobicContact CD2-CG1 4.06Å; Y140-I204 HydrophobicContact CD1-CG1 4.14Å; Y140-I204 HydrophobicContact CG-CD1 4.11Å; Y140-I204 HydrophobicContact CG-CG1 4.22Å; F141-I204 PolarHBondContact O-N 2.83Å; I183-I204 HydrophobicContact CG2-CD1 3.89Å
205C98.7Very high96.1Very high0 Ų045.4 Ų45.40%022%0.221CC..EExtended strand (participates in β ladder)trans-97.2147.2173.4-53.60000110.3W87 Y95 F96 C111 M114 A116 D117W87-C205 HydrophobicContact CH2-CB 3.73Å; W87-C205 HydrophobicContact CZ3-CB 4.14Å; Y95-C205 VanDerWaalsContact CA-O 3.32Å; Y95-C205 WeakPolarHBondContact CA-O 3.32Å; F96-C205 HydrophobicContact CB-CB 4.36Å; F96-C205 PolarHBondContact N-O 3Å; F96-C205 PolarHBondContact O-N 3.25Å; C111-C205 WeakPolarHBondContact CA-SG 3.31Å; C111-C205 HydrophobicContact CB-CB 3.73Å; C111-C205 WeakPolarHBondContact CB-SG 3.44Å; C111-C205 VanDerWaalsContact SG-CA 3.51Å; C111-C205 WeakPolarHBondContact SG-CB 3.5Å; C111-C205 CovalentContact SG-SG 2.04Å; C111-C205 PolarHBondContact SG-SG 2.85Å; M114-C205 HydrophobicContact CE-CB 4.36Å; M114-C205 VanDerWaalsContact CE-SG 3.51Å; A116-C205 HydrophobicContact CB-CB 4.19Å; D117-C205 CarbonylContact O-C 3.06Å; D117-C205 VanDerWaalsContact O-CA 3.23Å; D117-C205 WeakPolarHBondContact O-CA 3.46Å
206K98.7Very high96Very high28 Ų2847.4 Ų47.412%0.12223%0.229CC..EExtended strand (participates in β ladder)trans-133.3138.7176.2176179.3170.5176.50110.4S93 C94 Y95 A116 D117 V119 V120 N122 E126S93-K206 VanDerWaalsContact OG-CE 3.31Å; S93-K206 WeakPolarHBondContact OG-CE 3.1Å; C94-K206 WeakPolarHBondContact O-CA 3.02Å; Y95-K206 HydrophobicContact CD1-CB 4.31Å; Y95-K206 HydrophobicContact CD1-CG 4.35Å; Y95-K206 HydrophobicContact CE1-CB 4.39Å; Y95-K206 HydrophobicContact CE1-CD 3.88Å; Y95-K206 HydrophobicContact CE1-CG 4.01Å; A116-K206 WeakPolarHBondContact CB-O 3.41Å; D117-K206 PolarHBondContact N-O 3.48Å; D117-K206 PolarHBondContact O-N 3.42Å; V119-K206 HydrophobicContact CB-CB 4.15Å; V119-K206 HydrophobicContact CG2-CB 3.97Å; V119-K206 HydrophobicContact CG2-CD 4.01Å; V120-K206 PolarHBondContact O-NZ 2.9Å; N122-K206 PolarHBondContact ND2-NZ 3.15Å; E126-K206 WeakPolarHBondContact OE1-CE 3.34Å; E126-K206 IonicContact OE1-NZ 3.09Å; E126-K206 PolarHBondContact OE1-NZ 2.6Å; E126-K206 IonicContact OE2-NZ 2.77Å
207M97.1Very high95.8Very high21 Ų2145.8 Ų45.810%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-141.8169.5166.765.7174-165.700111.1Y65 P84 W87 S93 C94 A116Y65-M207 PolarHBondContact OH-SD 3.42Å; Y65-M207 VanDerWaalsContact OH-SD 3.33Å; P84-M207 HydrophobicContact CG-CE 3.3Å; W87-M207 HydrophobicContact CD2-CE 4.5Å; W87-M207 HydrophobicContact CE3-CE 4.41Å; W87-M207 HydrophobicContact CE3-CG 4.18Å; W87-M207 HydrophobicContact CH2-CG 4.35Å; W87-M207 HydrophobicContact CH2-SD 4.47Å; W87-M207 HydrophobicContact CZ3-CG 3.81Å; W87-M207 HydrophobicContact CZ3-SD 4.39Å; S93-M207 CarbonylContact C-O 3.57Å; S93-M207 VanDerWaalsContact CA-O 3.23Å; S93-M207 WeakPolarHBondContact CA-O 3.44Å; S93-M207 WeakPolarHBondContact CB-O 3.4Å; S93-M207 PolarHBondContact OG-O 3.3Å; C94-M207 HydrophobicContact CB-CE 4.06Å; C94-M207 HydrophobicContact CB-CG 3.99Å; C94-M207 PolarHBondContact N-O 2.92Å; C94-M207 PolarHBondContact O-N 2.89Å; A116-M207 HydrophobicContact CB-CB 3.86Å; A116-M207 HydrophobicContact CB-CG 4.43Å
208K96.1Very high95.6Very high175 Ų17546.3 Ų46.376%0.76122%0.221SC*.EExtended strand (participates in β ladder)trans-72.5147.9173.7-68.1-176.7-179.71760110.6
209K94.8Very high95.4Very high11 Ų1140.2 Ų40.25%0.04819%0.193CC..PPolyproline II helixtrans-59.5148.3169.5-76.2-175.1174.8-170.40111.3E73 S81 S89 Q91 S92 Y211E73-K209 IonicContact OE1-NZ 2.6Å; E73-K209 PolarHBondContact OE1-NZ 3.42Å; S81-K209 PolarHBondContact OG-NZ 3.42Å; S89-K209 PolarHBondContact OG-NZ 3.25Å; Q91-K209 WeakPolarHBondContact O-CD 3.23Å; Q91-K209 WeakPolarHBondContact O-CE 3.44Å; Q91-K209 PolarHBondContact O-NZ 3.27Å; S92-K209 PolarHBondContact O-N 3.07Å; K209-Y211 HydrophobicContact CB-CD2 4.42Å; K209-Y211 HydrophobicContact CB-CE2 3.84Å; K209-Y211 WeakPolarHBondContact O-CD2 3.36Å
210I91.3Very high95.2Very high7 Ų739.1 Ų39.14%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-85.9116.4172.1-61.6162.1000107.5Y61 Y65 L68 S81 C82 I212Y61-I210 HydrophobicContact CD1-CD1 3.64Å; Y61-I210 HydrophobicContact CD1-CG1 4.17Å; Y61-I210 HydrophobicContact CD2-CD1 4.3Å; Y61-I210 HydrophobicContact CD2-CG1 4.49Å; Y61-I210 HydrophobicContact CD2-CG2 3.57Å; Y61-I210 HydrophobicContact CE1-CD1 3.93Å; Y61-I210 HydrophobicContact CE1-CG1 3.94Å; Y61-I210 HydrophobicContact CE2-CB 4.49Å; Y61-I210 HydrophobicContact CE2-CG1 4.31Å; Y61-I210 HydrophobicContact CE2-CG2 3.44Å; Y61-I210 VanDerWaalsContact CE2-CG2 3.44Å; Y61-I210 HydrophobicContact CG-CD1 3.84Å; Y61-I210 HydrophobicContact CG-CG1 4.43Å; Y61-I210 HydrophobicContact CG-CG2 4.23Å; Y65-I210 HydrophobicContact CD2-CD1 4.25Å; Y65-I210 HydrophobicContact CE2-CD1 4.03Å; L68-I210 HydrophobicContact CD2-CD1 3.81Å; S81-I210 CarbonylContact C-O 3.54Å; S81-I210 WeakPolarHBondContact CA-O 3.41Å; C82-I210 HydrophobicContact CB-CB 4.26Å; C82-I210 PolarHBondContact N-O 3.01Å; C82-I210 PolarHBondContact O-N 3.07Å; I210-I212 HydrophobicContact CG2-CD1 4.29Å; I210-I212 HydrophobicContact CG2-CG1 4.06Å
211Y87.4Confident94.9Very high92 Ų9236.8 Ų36.836%0.36116%0.162SC..EExtended strand (participates in β ladder)trans-97.5129.9176.7-69.7-85.3000111.1K57 E73 W80 K209K57-Y211 WeakPolarHBondContact CE-O 3.29Å; K57-Y211 PolarHBondContact NZ-O 3.41Å; E73-Y211 PolarHBondContact OE2-OH 3.06Å; W80-Y211 WeakPolarHBondContact O-CA 3.43Å; K209-Y211 HydrophobicContact CB-CD2 4.42Å; K209-Y211 HydrophobicContact CB-CE2 3.84Å; K209-Y211 WeakPolarHBondContact O-CD2 3.36Å
212I79.1Confident94.5Very high32 Ų3237.3 Ų37.316%0.16416%0.163CC..  trans-125.70-176.4-57.3157.4000110.1R54 L58 W80 C82 I210R54-I212 HydrophobicContact CB-CG2 3.54Å; R54-I212 WeakPolarHBondContact CD-OXT 3.45Å; R54-I212 HydrophobicContact CG-CG2 3.59Å; R54-I212 VanDerWaalsContact CG-OXT 3.28Å; R54-I212 WeakPolarHBondContact CG-OXT 3.23Å; R54-I212 PolarHBondContact NE-OXT 2.89Å; R54-I212 PolarHBondContact NH2-O 3.22Å; R54-I212 PolarHBondContact NH2-OXT 3.36Å; L58-I212 HydrophobicContact CD1-CD1 4.19Å; L58-I212 HydrophobicContact CD1-CG2 4.26Å; L58-I212 HydrophobicContact CD2-CD1 3.27Å; L58-I212 HydrophobicContact CD2-CG1 4.43Å; L58-I212 HydrophobicContact CG-CD1 3.55Å; L58-I212 HydrophobicContact CG-CG1 4.29Å; L58-I212 HydrophobicContact CG-CG2 4.27Å; W80-I212 HydrophobicContact CB-CB 4.45Å; W80-I212 PolarHBondContact N-O 2.7Å; W80-I212 PolarHBondContact O-N 3.37Å; C82-I212 WeakPolarHBondContact SG-CD1 3.26Å; I210-I212 HydrophobicContact CG2-CD1 4.29Å; I210-I212 HydrophobicContact CG2-CG1 4.06Å

Retrieved 212 of 212 residues in 430 ms (Link to these results)

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