A0A077ZK35_TRITR Loading...

Single stranded DNA binding protein 3

AlphaFold DB , UniProt , Accession A0A077ZK35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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
1M54.4Low61.8Low217 Ų217153.2 Ų153.2100%1.06981%0.806SS**  0114.30-77.265.3177.400108.6
2S60.8Low62.4Low116 Ų116150.9 Ų150.981%0.81180%0.802SS**  trans-91.7111-179.1-175.80000109.6K4S2-K4 VanDerWaalsContact C-N 3.31Å; S2-K4 PolarHBondContact O-N 3.08Å
3W48.5Very low63.2Low238 Ų238147.1 Ų147.190%0.90279%0.791SS**  trans-77.980.3174.4-54.396.9000109R5W3-R5 PolarHBondContact O-N 3.41Å
4K60.8Low64Low196 Ų196142.7 Ų142.785%0.85278%0.775SS**  trans-63.9106166.2-102.2-173.9-172.2-88.90107.4S2 G6S2-K4 VanDerWaalsContact C-N 3.31Å; S2-K4 PolarHBondContact O-N 3.08Å; K4-G6 PolarHBondContact O-N 2.88Å; K4-G6 VanDerWaalsContact O-N 3.15Å
5R63.5Low65.3Low246 Ų246137.3 Ų137.393%0.92875%0.751SS**PPolyproline II helixtrans-50120.1164.7-88.5-177.6-86-144.7-3.8108W3W3-R5 PolarHBondContact O-N 3.41Å
6G70.5Confident66.7Low54 Ų54135.9 Ų135.956%0.55774%0.743SS**PPolyproline II helixtrans-58.1162.5170.300000111K4 N8K4-G6 PolarHBondContact O-N 2.88Å; K4-G6 VanDerWaalsContact O-N 3.15Å; G6-N8 PolarHBondContact O-N 3.05Å; G6-N8 VanDerWaalsContact O-N 3.13Å
7P66.5Low68Low127 Ų127131.2 Ų131.283%0.82573%0.726SS**PPolyproline II helixtrans-51.7124.1179.420-30000109.6V9P7-V9 VanDerWaalsContact C-N 3.29Å; P7-V9 PolarHBondContact O-N 2.93Å
8N63.1Low69.2Low148 Ų148129.4 Ų129.479%0.79171%0.712SS**  trans-6591.4177.7-169.7-88.9000107.4G6 P10G6-N8 PolarHBondContact O-N 3.05Å; G6-N8 VanDerWaalsContact O-N 3.13Å; N8-P10 VanDerWaalsContact O-CD 3.25Å; N8-P10 WeakPolarHBondContact O-CD 3.33Å
9V65.6Low70.4Confident113 Ų113125 Ų12569%0.68569%0.694SS**  trans-69116.3162.7-170.10000104.4P7 T11P7-V9 VanDerWaalsContact C-N 3.29Å; P7-V9 PolarHBondContact O-N 2.93Å; V9-T11 VanDerWaalsContact C-N 3.33Å; V9-T11 PolarHBondContact O-N 3.11Å
10P59.1Low71.4Confident99 Ų99127.4 Ų127.464%0.64369%0.692SS**  trans-62.5103.9172.6-13.227.7000106N8 V12N8-P10 VanDerWaalsContact O-CD 3.25Å; N8-P10 WeakPolarHBondContact O-CD 3.33Å; P10-V12 VanDerWaalsContact C-N 3.31Å; P10-V12 PolarHBondContact O-N 3.46Å
11T66.6Low72.4Confident131 Ų131125 Ų12580%0.80468%0.676SS**  trans-65102.3167.5490000105.3V9V9-T11 VanDerWaalsContact C-N 3.33Å; V9-T11 PolarHBondContact O-N 3.11Å
12V69.8Low74.2Confident126 Ų126120.4 Ų120.476%0.76465%0.65SS**PPolyproline II helixtrans-51.6125.5174.8179.90000106.5P10P10-V12 VanDerWaalsContact C-N 3.31Å; P10-V12 PolarHBondContact O-N 3.46Å
13P72.7Confident75.8Confident101 Ų101119.4 Ų119.466%0.65664%0.635SS**PPolyproline II helixtrans-53.6140.7177.522-32.1000108.5S15P13-S15 PolarHBondContact O-N 3.47Å; P13-S15 VanDerWaalsContact O-N 3.14Å
14P73.9Confident78Confident86 Ų86108.8 Ų108.856%0.55860%0.598SS**PPolyproline II helixtrans-53.8128.9-179.323.4-32.8000108.4Q18P14-Q18 HydrophobicContact CB-CB 4.28Å
15S83.7Confident79.6Confident61 Ų61101 Ų10143%0.42757%0.566SS.*PPolyproline II helixtrans-60.9151.6173.262.90000109P13 A17 Q18 A19P13-S15 PolarHBondContact O-N 3.47Å; P13-S15 VanDerWaalsContact O-N 3.14Å; S15-A17 PolarHBondContact O-N 3.25Å; S15-A17 VanDerWaalsContact O-N 3.07Å; S15-Q18 WeakPolarHBondContact O-CA 3.48Å; S15-Q18 WeakPolarHBondContact O-CB 3.47Å; S15-Q18 PolarHBondContact O-N 3.17Å; S15-A19 PolarHBondContact O-N 3.04Å; S15-A19 VanDerWaalsContact O-N 3.08Å
16D87.3Confident81Confident116 Ų11692.1 Ų92.162%0.6253%0.533SS*.Hα-helixtrans-51.4-36.5178.7-175.272.6000112Q18 A19 R20D16-Q18 PolarHBondContact O-N 2.92Å; D16-A19 PolarHBondContact O-N 2.92Å; D16-R20 WeakPolarHBondContact O-CB 3.49Å; D16-R20 VanDerWaalsContact O-CG 3.28Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.3Å; D16-R20 VanDerWaalsContact OD2-CD 3.25Å; D16-R20 WeakPolarHBondContact OD2-CD 3.47Å
17A89Confident82.2Confident55 Ų5591.5 Ų91.546%0.45552%0.518SS..Hα-helixtrans-57.9-46.9173.300000113S15 A19 R20 E21S15-A17 PolarHBondContact O-N 3.25Å; S15-A17 VanDerWaalsContact O-N 3.07Å; A17-A19 VanDerWaalsContact C-N 3.33Å; A17-A19 PolarHBondContact O-N 2.96Å; A17-R20 PolarHBondContact O-N 3.39Å; A17-E21 VanDerWaalsContact O-CG 3.31Å; A17-E21 WeakPolarHBondContact O-CG 3.26Å; A17-E21 PolarHBondContact O-N 3.19Å
18Q89.9Confident83.5Confident99 Ų9987 Ų8746%0.46349%0.485SS..Hα-helixtrans-65.6-37.9177.3-69.8179.46.800111.9P14 S15 D16 E21 K22P14-Q18 HydrophobicContact CB-CB 4.28Å; S15-Q18 WeakPolarHBondContact O-CA 3.48Å; S15-Q18 WeakPolarHBondContact O-CB 3.47Å; S15-Q18 PolarHBondContact O-N 3.17Å; D16-Q18 PolarHBondContact O-N 2.92Å; Q18-E21 PolarHBondContact O-N 3.24Å; Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.35Å
19A91.3Very high84.9Confident46 Ų4680.5 Ų80.538%0.3845%0.45SS..Hα-helixtrans-63.4-44.1176.500000111.1S15 D16 A17 K22 L23S15-A19 PolarHBondContact O-N 3.04Å; S15-A19 VanDerWaalsContact O-N 3.08Å; D16-A19 PolarHBondContact O-N 2.92Å; A17-A19 VanDerWaalsContact C-N 3.33Å; A17-A19 PolarHBondContact O-N 2.96Å; A19-K22 PolarHBondContact O-N 3.3Å; A19-L23 WeakPolarHBondContact O-CB 3.11Å; A19-L23 PolarHBondContact O-N 3.41Å
20R91.4Very high86.3Confident173 Ų17379 Ų7965%0.65343%0.433SS*.Hα-helixtrans-64.5-40.8176.7-70.1176.569.2-165.51.4112.5D16 A17 L23 A24D16-R20 WeakPolarHBondContact O-CB 3.49Å; D16-R20 VanDerWaalsContact O-CG 3.28Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.3Å; D16-R20 VanDerWaalsContact OD2-CD 3.25Å; D16-R20 WeakPolarHBondContact OD2-CD 3.47Å; A17-R20 PolarHBondContact O-N 3.39Å; R20-L23 PolarHBondContact O-N 3.03Å; R20-A24 PolarHBondContact O-N 2.71Å
21E92.1Very high88Confident76 Ų7675.9 Ų75.936%0.35541%0.41SS..Hα-helixtrans-62.6-47.3175-73.8177.4177.500112A17 Q18 L23 A24 L25 W49 K51A17-E21 VanDerWaalsContact O-CG 3.31Å; A17-E21 WeakPolarHBondContact O-CG 3.26Å; A17-E21 PolarHBondContact O-N 3.19Å; Q18-E21 PolarHBondContact O-N 3.24Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.66Å; E21-A24 PolarHBondContact O-N 3.15Å; E21-L25 PolarHBondContact O-N 2.99Å; E21-L25 VanDerWaalsContact O-N 3.12Å; E21-W49 HydrophobicContact CB-CH2 4.23Å; E21-W49 HydrophobicContact CB-CZ3 4.37Å; E21-W49 VanDerWaalsContact O-CH2 3.26Å; E21-W49 WeakPolarHBondContact O-CH2 3.25Å; E21-K51 IonicContact OE1-NZ 2.71Å; E21-K51 PolarHBondContact OE1-NZ 2.93Å; E21-K51 IonicContact OE2-NZ 2.66Å; E21-K51 PolarHBondContact OE2-NZ 3.49Å
22K91.7Very high89.2Confident121 Ų12171.9 Ų71.953%0.52638%0.384SS..Hα-helixtrans-62.6-41.9176.6-75.4-172.4176.5-172.30111.9Q18 A19 A24 L25 Y26Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.35Å; A19-K22 PolarHBondContact O-N 3.3Å; K22-A24 VanDerWaalsContact C-N 3.34Å; K22-A24 PolarHBondContact O-N 2.85Å; K22-L25 PolarHBondContact O-N 3.26Å; K22-Y26 HydrophobicContact CB-CE2 4.2Å; K22-Y26 WeakPolarHBondContact O-CD2 3.42Å; K22-Y26 VanDerWaalsContact O-CG 3.3Å; K22-Y26 PolarHBondContact O-N 2.89Å
23L94.3Very high90.1Very high95 Ų9568.5 Ų68.550%0.49736%0.359SS..Hα-helixtrans-60.2-44.4176.9-177.664000111.3A19 R20 E21 L25 Y26 V27 L62A19-L23 WeakPolarHBondContact O-CB 3.11Å; A19-L23 PolarHBondContact O-N 3.41Å; R20-L23 PolarHBondContact O-N 3.03Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.66Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 2.87Å; L23-Y26 PolarHBondContact O-N 3.22Å; L23-V27 HydrophobicContact CD1-CG2 4.43Å; L23-V27 HydrophobicContact CG-CG2 4.47Å; L23-V27 WeakPolarHBondContact O-CG2 3.37Å; L23-V27 PolarHBondContact O-N 2.93Å; L23-L62 HydrophobicContact CD1-CD1 4.41Å
24A94.9Very high91Very high15 Ų1565.7 Ų65.712%0.12434%0.338CS..Hα-helixtrans-59.6-43.5176.600000112R20 E21 K22 Y26 V27 Y28 F43 I47 W49R20-A24 PolarHBondContact O-N 2.71Å; E21-A24 PolarHBondContact O-N 3.15Å; K22-A24 VanDerWaalsContact C-N 3.34Å; K22-A24 PolarHBondContact O-N 2.85Å; A24-Y26 VanDerWaalsContact C-N 3.35Å; A24-Y26 PolarHBondContact O-N 3.28Å; A24-V27 PolarHBondContact O-N 3.24Å; A24-Y28 PolarHBondContact O-N 3.44Å; A24-F43 HydrophobicContact CB-CE1 4.28Å; A24-F43 HydrophobicContact CB-CZ 4.11Å; A24-F43 WeakPolarHBondContact O-CE1 3.45Å; A24-I47 HydrophobicContact CB-CD1 3.9Å; A24-W49 HydrophobicContact CB-CE3 4.28Å; A24-W49 HydrophobicContact CB-CZ3 3.82Å
25L93.8Very high91.8Very high32 Ų3264.1 Ų64.117%0.16834%0.337CS..Hα-helixtrans-60.1-44.2175.3-177.6138.2000111.9E21 K22 L23 Y28 E29 W49 I53E21-L25 PolarHBondContact O-N 2.99Å; E21-L25 VanDerWaalsContact O-N 3.12Å; K22-L25 PolarHBondContact O-N 3.26Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 2.87Å; L25-Y28 PolarHBondContact O-N 3.35Å; L25-E29 WeakPolarHBondContact O-CB 3.44Å; L25-E29 PolarHBondContact O-N 3.21Å; L25-W49 HydrophobicContact CB-CH2 4.35Å; L25-W49 HydrophobicContact CB-CZ2 4.35Å; L25-W49 HydrophobicContact CD1-CZ2 4.34Å; L25-I53 HydrophobicContact CD1-CG2 4.46Å
26Y94Very high92.3Very high60 Ų6062.7 Ų62.724%0.23533%0.329CS..Hα-helixtrans-67.2-35.1178.2-65.8-36.3000113.4K22 L23 A24 Y30 F61K22-Y26 HydrophobicContact CB-CE2 4.2Å; K22-Y26 WeakPolarHBondContact O-CD2 3.42Å; K22-Y26 VanDerWaalsContact O-CG 3.3Å; K22-Y26 PolarHBondContact O-N 2.89Å; L23-Y26 PolarHBondContact O-N 3.22Å; A24-Y26 VanDerWaalsContact C-N 3.35Å; A24-Y26 PolarHBondContact O-N 3.28Å; Y26-Y30 WeakPolarHBondContact O-CB 3.02Å; Y26-Y30 PolarHBondContact O-N 3.1Å; Y26-F61 HydrophobicContact CD1-CB 3.89Å; Y26-F61 AromaticContact CD1-CD1 3.87Å; Y26-F61 HydrophobicContact CD1-CD1 3.87Å; Y26-F61 HydrophobicContact CD1-CG 4.2Å; Y26-F61 AromaticContact CD2-CD1 3.67Å; Y26-F61 HydrophobicContact CD2-CD1 3.67Å; Y26-F61 HydrophobicContact CD2-CE1 4.04Å; Y26-F61 HydrophobicContact CE1-CB 3.79Å; Y26-F61 AromaticContact CE1-CD1 3.67Å; Y26-F61 HydrophobicContact CE1-CD1 3.67Å; Y26-F61 HydrophobicContact CE1-CE1 4.5Å; Y26-F61 AromaticContact CE1-CG 3.83Å; Y26-F61 HydrophobicContact CE1-CG 3.83Å; Y26-F61 AromaticContact CE2-CD1 3.43Å; Y26-F61 HydrophobicContact CE2-CD1 3.43Å; Y26-F61 VanDerWaalsContact CE2-CD1 3.43Å; Y26-F61 AromaticContact CE2-CE1 3.56Å; Y26-F61 HydrophobicContact CE2-CE1 3.56Å; Y26-F61 HydrophobicContact CE2-CG 4.35Å; Y26-F61 AromaticContact CG-CD1 3.89Å; Y26-F61 HydrophobicContact CG-CD1 3.89Å; Y26-F61 AromaticContact CZ-CD1 3.43Å; Y26-F61 VanDerWaalsContact CZ-CD1 3.43Å; Y26-F61 AromaticContact CZ-CE1 3.82Å; Y26-F61 AromaticContact CZ-CG 3.91Å
27V94.7Very high92.5Very high42 Ų4263.6 Ų63.626%0.25533%0.328SS..Hα-helixtrans-67.2-41.8173.3171.20000110.8L23 A24 Y30 L31 F43 L62L23-V27 HydrophobicContact CD1-CG2 4.43Å; L23-V27 HydrophobicContact CG-CG2 4.47Å; L23-V27 WeakPolarHBondContact O-CG2 3.37Å; L23-V27 PolarHBondContact O-N 2.93Å; A24-V27 PolarHBondContact O-N 3.24Å; V27-Y30 PolarHBondContact O-N 2.9Å; V27-L31 HydrophobicContact CG1-CD1 4.21Å; V27-L31 HydrophobicContact CG1-CG 4.49Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.03Å; V27-F43 HydrophobicContact CB-CE1 4.22Å; V27-F43 HydrophobicContact CB-CZ 4.22Å; V27-F43 HydrophobicContact CG1-CE1 4.06Å; V27-F43 HydrophobicContact CG1-CE2 4.38Å; V27-F43 HydrophobicContact CG1-CZ 3.98Å; V27-L62 HydrophobicContact CG2-CD2 3.98Å
28Y94.5Very high92.8Very high33 Ų3367 Ų6713%0.12934%0.339CS..Hα-helixtrans-61.2-47.4174.7172.5-99.3000111.9A24 L25 Y30 L31 L32 A40 L44 I53 L55A24-Y28 PolarHBondContact O-N 3.44Å; L25-Y28 PolarHBondContact O-N 3.35Å; Y28-Y30 VanDerWaalsContact C-N 3.32Å; Y28-Y30 PolarHBondContact O-N 3.39Å; Y28-L31 PolarHBondContact O-N 3.32Å; Y28-L32 PolarHBondContact O-N 2.96Å; Y28-A40 HydrophobicContact CD2-CB 3.78Å; Y28-A40 WeakPolarHBondContact CD2-O 3.37Å; Y28-A40 HydrophobicContact CE2-CB 3.66Å; Y28-L44 HydrophobicContact CD2-CD1 3.64Å; Y28-L44 HydrophobicContact CD2-CD2 3.75Å; Y28-L44 HydrophobicContact CD2-CG 3.52Å; Y28-L44 HydrophobicContact CE2-CD1 3.3Å; Y28-L44 HydrophobicContact CE2-CD2 4.31Å; Y28-L44 HydrophobicContact CE2-CG 3.71Å; Y28-L44 HydrophobicContact CG-CD1 4.37Å; Y28-L44 HydrophobicContact CG-CD2 3.98Å; Y28-L44 HydrophobicContact CG-CG 4.25Å; Y28-I53 HydrophobicContact CD1-CD1 3.94Å; Y28-I53 HydrophobicContact CD1-CG2 3.74Å; Y28-I53 HydrophobicContact CE1-CD1 3.74Å; Y28-I53 HydrophobicContact CE1-CG2 3.66Å; Y28-I53 HydrophobicContact CG-CD1 4.44Å; Y28-L55 HydrophobicContact CD1-CD2 4.06Å; Y28-L55 HydrophobicContact CE1-CD2 3.85Å
29E93.2Very high93.1Very high11 Ų1164.7 Ų64.75%0.05134%0.336CS..Hα-helixtrans-57.5-45.5175.7-178.4178.910400111.1L25 L32 H33 L55 G56 G60 F61L25-E29 WeakPolarHBondContact O-CB 3.44Å; L25-E29 PolarHBondContact O-N 3.21Å; E29-L32 PolarHBondContact O-N 3.01Å; E29-H33 WeakPolarHBondContact CG-CE1 3.37Å; E29-H33 PolarHBondContact O-N 2.93Å; E29-H33 IonicContact OE1-CE1 3.89Å; E29-L55 HydrophobicContact CB-CD2 4.04Å; E29-L55 HydrophobicContact CG-CD2 4.08Å; E29-G56 PolarHBondContact OE2-N 3.01Å; E29-G60 WeakPolarHBondContact OE1-CA 3.18Å; E29-F61 PolarHBondContact OE1-N 2.95Å
30Y93.8Very high93.2Very high82 Ų8262.5 Ų62.532%0.32232%0.318SS..Hα-helixtrans-59-50.2175.8171.9-105.7000112.4Y26 V27 Y28 L32 H33 I34 L62Y26-Y30 WeakPolarHBondContact O-CB 3.02Å; Y26-Y30 PolarHBondContact O-N 3.1Å; V27-Y30 PolarHBondContact O-N 2.9Å; Y28-Y30 VanDerWaalsContact C-N 3.32Å; Y28-Y30 PolarHBondContact O-N 3.39Å; Y30-L32 PolarHBondContact O-N 3.44Å; Y30-H33 PolarHBondContact O-N 3.31Å; Y30-I34 HydrophobicContact CD1-CD1 4.39Å; Y30-I34 HydrophobicContact CD2-CG2 3.98Å; Y30-I34 HydrophobicContact CE1-CD1 3.83Å; Y30-I34 HydrophobicContact CE1-CG2 4.34Å; Y30-I34 HydrophobicContact CE2-CG2 3.48Å; Y30-I34 VanDerWaalsContact CE2-CG2 3.48Å; Y30-I34 WeakPolarHBondContact O-CG1 3.33Å; Y30-I34 PolarHBondContact O-N 3.42Å; Y30-L62 HydrophobicContact CG-CD2 4.39Å
31L94.5Very high93.3Very high32 Ų3259.9 Ų59.917%0.16831%0.313CS..Hα-helixtrans-58-35.6178.1-71.8172.4000111.7V27 Y28 I34 A36 A39 A40 F43V27-L31 HydrophobicContact CG1-CD1 4.21Å; V27-L31 HydrophobicContact CG1-CG 4.49Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.03Å; Y28-L31 PolarHBondContact O-N 3.32Å; L31-I34 HydrophobicContact CD2-CD1 4.27Å; L31-I34 WeakPolarHBondContact O-CG1 3.27Å; L31-A36 HydrophobicContact CD2-CB 4.28Å; L31-A36 CarbonylContact O-C 3.6Å; L31-A36 WeakPolarHBondContact O-CA 3.41Å; L31-A36 WeakPolarHBondContact O-CB 3.4Å; L31-A36 PolarHBondContact O-N 3.26Å; L31-A39 HydrophobicContact CD2-CB 4.4Å; L31-A40 HydrophobicContact CB-CB 3.71Å; L31-A40 HydrophobicContact CD1-CB 4.44Å; L31-F43 HydrophobicContact CD1-CB 4.15Å; L31-F43 HydrophobicContact CD1-CD1 4.5Å; L31-F43 HydrophobicContact CD1-CG 4.35Å
32L92.2Very high93.5Very high48 Ų4860 Ų6025%0.25132%0.319SS..Hα-helixtrans-71.9-44.2177.6-159.575.5000112.1Y28 E29 Y30 G35 K37 L55Y28-L32 PolarHBondContact O-N 2.96Å; E29-L32 PolarHBondContact O-N 3.01Å; Y30-L32 PolarHBondContact O-N 3.44Å; L32-G35 PolarHBondContact O-N 3.15Å; L32-K37 HydrophobicContact CD1-CG 4.12Å; L32-L55 HydrophobicContact CD2-CD1 3.3Å; L32-L55 HydrophobicContact CD2-CD2 3.89Å; L32-L55 HydrophobicContact CD2-CG 4.22Å
33H90.2Very high93.7Very high55 Ų5556.6 Ų56.626%0.25530%0.304SS..Hα-helixtrans-65.2-37179.4-70.9167.2000113.1E29 Y30 G35 G56 P59 G60E29-H33 WeakPolarHBondContact CG-CE1 3.37Å; E29-H33 PolarHBondContact O-N 2.93Å; E29-H33 IonicContact OE1-CE1 3.89Å; Y30-H33 PolarHBondContact O-N 3.31Å; H33-G35 PolarHBondContact O-N 2.94Å; H33-G56 PolarHBondContact NE2-O 3.03Å; H33-P59 PolarHBondContact ND1-O 2.9Å; H33-G60 PolarHBondContact ND1-N 3.31Å
34I90.5Very high93.7Very high42 Ų4253.5 Ų53.522%0.21529%0.288CS..THydrogen-bonded Turntrans-75.4-1.1173.770.2174.7000113.1Y30 L31 A36 L284Y30-I34 HydrophobicContact CD1-CD1 4.39Å; Y30-I34 HydrophobicContact CD2-CG2 3.98Å; Y30-I34 HydrophobicContact CE1-CD1 3.83Å; Y30-I34 HydrophobicContact CE1-CG2 4.34Å; Y30-I34 HydrophobicContact CE2-CG2 3.48Å; Y30-I34 VanDerWaalsContact CE2-CG2 3.48Å; Y30-I34 WeakPolarHBondContact O-CG1 3.33Å; Y30-I34 PolarHBondContact O-N 3.42Å; L31-I34 HydrophobicContact CD2-CD1 4.27Å; L31-I34 WeakPolarHBondContact O-CG1 3.27Å; I34-A36 HydrophobicContact CD1-CB 4Å; I34-A36 HydrophobicContact CG1-CB 3.88Å; I34-L284 HydrophobicContact CB-CD2 4.43Å; I34-L284 WeakPolarHBondContact O-CD2 3.46Å
35G90.8Very high93.7Very high52 Ų5259.8 Ų59.854%0.53632%0.315SS..THydrogen-bonded Turntrans82.96.6179.500000115.2L32 H33 K37L32-G35 PolarHBondContact O-N 3.15Å; H33-G35 PolarHBondContact O-N 2.94Å; G35-K37 PolarHBondContact O-N 3.45Å
36A93.2Very high93.7Very high31 Ų3165.7 Ų65.726%0.25634%0.342SS..  trans-80.453.1178.100000112.3L31 I34 N38 A39 A40L31-A36 HydrophobicContact CD2-CB 4.28Å; L31-A36 CarbonylContact O-C 3.6Å; L31-A36 WeakPolarHBondContact O-CA 3.41Å; L31-A36 WeakPolarHBondContact O-CB 3.4Å; L31-A36 PolarHBondContact O-N 3.26Å; I34-A36 HydrophobicContact CD1-CB 4Å; I34-A36 HydrophobicContact CG1-CB 3.88Å; A36-N38 VanDerWaalsContact C-N 3.32Å; A36-N38 PolarHBondContact O-N 3.26Å; A36-A39 HydrophobicContact CB-CB 4.2Å; A36-A39 PolarHBondContact O-N 3.19Å; A36-A39 VanDerWaalsContact O-N 3.1Å; A36-A40 PolarHBondContact O-N 2.95Å
37K93Very high93.7Very high136 Ų13666.3 Ų66.359%0.59135%0.348SS*.Hα-helixtrans-55.4-41.7-173.1-63.1-175179.1-1800113.5L32 G35 A40 Q41L32-K37 HydrophobicContact CD1-CG 4.12Å; G35-K37 PolarHBondContact O-N 3.45Å; K37-A40 WeakPolarHBondContact O-CB 3.48Å; K37-A40 PolarHBondContact O-N 3Å; K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-N 3.22Å
38N94.7Very high93.6Very high127 Ų12774.7 Ų74.768%0.67938%0.375SS*.Hα-helixtrans-64.7-44179.1-65.3-18.5000111.5A36 A40 Q41 T42A36-N38 VanDerWaalsContact C-N 3.32Å; A36-N38 PolarHBondContact O-N 3.26Å; N38-A40 VanDerWaalsContact C-N 3.34Å; N38-Q41 PolarHBondContact O-N 3.43Å; N38-T42 PolarHBondContact O-N 3.12Å; N38-T42 PolarHBondContact O-OG1 3.47Å
39A96.2Very high93.5Very high49 Ų4975.6 Ų75.641%0.40538%0.378SS..Hα-helixtrans-65.4-39.6176.900000111.4L31 A36 Q41 T42 F43L31-A39 HydrophobicContact CD2-CB 4.4Å; A36-A39 HydrophobicContact CB-CB 4.2Å; A36-A39 PolarHBondContact O-N 3.19Å; A36-A39 VanDerWaalsContact O-N 3.1Å; A39-Q41 VanDerWaalsContact C-N 3.33Å; A39-Q41 PolarHBondContact O-N 2.97Å; A39-T42 PolarHBondContact O-N 3.3Å; A39-F43 VanDerWaalsContact O-CB 3.27Å; A39-F43 WeakPolarHBondContact O-CB 3.18Å; A39-F43 PolarHBondContact O-N 3.22Å
40A94.6Very high93.4Very high0 Ų081.9 Ų81.90%041%0.413CS..Hα-helixtrans-59.2-43.2175.400000111.8Y28 L31 A36 K37 N38 L44Y28-A40 HydrophobicContact CD2-CB 3.78Å; Y28-A40 WeakPolarHBondContact CD2-O 3.37Å; Y28-A40 HydrophobicContact CE2-CB 3.66Å; L31-A40 HydrophobicContact CB-CB 3.71Å; L31-A40 HydrophobicContact CD1-CB 4.44Å; A36-A40 PolarHBondContact O-N 2.95Å; K37-A40 WeakPolarHBondContact O-CB 3.48Å; K37-A40 PolarHBondContact O-N 3Å; N38-A40 VanDerWaalsContact C-N 3.34Å; A40-L44 PolarHBondContact O-N 2.98Å
41Q93.3Very high93.1Very high119 Ų11982.4 Ų82.456%0.55642%0.417SS*.Hα-helixtrans-67-46.9177-73.6-176.5-35.500112.6K37 N38 A39 F43 L44 Q45K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-N 3.22Å; N38-Q41 PolarHBondContact O-N 3.43Å; A39-Q41 VanDerWaalsContact C-N 3.33Å; A39-Q41 PolarHBondContact O-N 2.97Å; Q41-F43 VanDerWaalsContact C-N 3.27Å; Q41-F43 PolarHBondContact O-N 3.46Å; Q41-L44 PolarHBondContact O-N 3.2Å; Q41-Q45 WeakPolarHBondContact O-CG 3.42Å; Q41-Q45 PolarHBondContact O-N 2.93Å
42T95.7Very high92.7Very high79 Ų7989.1 Ų89.149%0.48545%0.447SS..Hα-helixtrans-58.7-42.2176.4-58.60000111.2N38 A39 L44 Q45 E46N38-T42 PolarHBondContact O-N 3.12Å; N38-T42 PolarHBondContact O-OG1 3.47Å; A39-T42 PolarHBondContact O-N 3.3Å; T42-L44 PolarHBondContact O-N 3.45Å; T42-Q45 PolarHBondContact O-N 3.4Å; T42-E46 WeakPolarHBondContact O-CB 3.31Å; T42-E46 PolarHBondContact O-N 3.4Å
43F96.4Very high92.3Very high49 Ų4989.1 Ų89.122%0.21545%0.447CS..Hα-helixtrans-58.1-45.5178.3176-109.8000112.6A24 V27 L31 A39 Q41 Q45 E46 I47A24-F43 HydrophobicContact CB-CE1 4.28Å; A24-F43 HydrophobicContact CB-CZ 4.11Å; A24-F43 WeakPolarHBondContact O-CE1 3.45Å; V27-F43 HydrophobicContact CB-CE1 4.22Å; V27-F43 HydrophobicContact CB-CZ 4.22Å; V27-F43 HydrophobicContact CG1-CE1 4.06Å; V27-F43 HydrophobicContact CG1-CE2 4.38Å; V27-F43 HydrophobicContact CG1-CZ 3.98Å; L31-F43 HydrophobicContact CD1-CB 4.15Å; L31-F43 HydrophobicContact CD1-CD1 4.5Å; L31-F43 HydrophobicContact CD1-CG 4.35Å; A39-F43 VanDerWaalsContact O-CB 3.27Å; A39-F43 WeakPolarHBondContact O-CB 3.18Å; A39-F43 PolarHBondContact O-N 3.22Å; Q41-F43 VanDerWaalsContact C-N 3.27Å; Q41-F43 PolarHBondContact O-N 3.46Å; F43-Q45 VanDerWaalsContact C-N 3.35Å; F43-Q45 PolarHBondContact O-N 3.02Å; F43-E46 PolarHBondContact O-N 3.17Å; F43-I47 HydrophobicContact CD1-CD1 4.4Å; F43-I47 HydrophobicContact CD2-CG2 4.48Å; F43-I47 HydrophobicContact CE1-CD1 3.88Å; F43-I47 HydrophobicContact CE2-CG2 4.11Å; F43-I47 HydrophobicContact CZ-CD1 3.97Å; F43-I47 HydrophobicContact CZ-CG2 4.46Å; F43-I47 WeakPolarHBondContact O-CG1 3.5Å; F43-I47 PolarHBondContact O-N 2.92Å
44L93.5Very high92.1Very high29 Ų2991.1 Ų91.115%0.15246%0.463CS..Hα-helixtrans-64-38.5176.8-68-178.4000113Y28 A40 Q41 T42 R48 W49 I53Y28-L44 HydrophobicContact CD2-CD1 3.64Å; Y28-L44 HydrophobicContact CD2-CD2 3.75Å; Y28-L44 HydrophobicContact CD2-CG 3.52Å; Y28-L44 HydrophobicContact CE2-CD1 3.3Å; Y28-L44 HydrophobicContact CE2-CD2 4.31Å; Y28-L44 HydrophobicContact CE2-CG 3.71Å; Y28-L44 HydrophobicContact CG-CD1 4.37Å; Y28-L44 HydrophobicContact CG-CD2 3.98Å; Y28-L44 HydrophobicContact CG-CG 4.25Å; A40-L44 PolarHBondContact O-N 2.98Å; Q41-L44 PolarHBondContact O-N 3.2Å; T42-L44 PolarHBondContact O-N 3.45Å; L44-R48 PolarHBondContact O-N 3.41Å; L44-W49 HydrophobicContact CB-CB 4.2Å; L44-W49 HydrophobicContact CD2-CB 3.7Å; L44-W49 HydrophobicContact CD2-CD2 4.39Å; L44-W49 HydrophobicContact CD2-CG 3.72Å; L44-W49 PolarHBondContact O-N 2.95Å; L44-I53 HydrophobicContact CD1-CD1 3.39Å; L44-I53 HydrophobicContact CD2-CD1 3.79Å; L44-I53 HydrophobicContact CG-CD1 4.25Å
45Q94.2Very high91.9Very high147 Ų14793 Ų9369%0.68747%0.473SS*.Hα-helixtrans-66.9-41.9178.5-70.4178.1-8.500111.5Q41 T42 F43 R48Q41-Q45 WeakPolarHBondContact O-CG 3.42Å; Q41-Q45 PolarHBondContact O-N 2.93Å; T42-Q45 PolarHBondContact O-N 3.4Å; F43-Q45 VanDerWaalsContact C-N 3.35Å; F43-Q45 PolarHBondContact O-N 3.02Å; Q45-R48 PolarHBondContact O-N 3.13Å; Q45-R48 VanDerWaalsContact O-N 3.17Å
46E95.7Very high91.4Very high157 Ų15792.4 Ų92.473%0.73447%0.467SS*.Hα-helixtrans-66-41.7-177.3-172.1169.6-179.600112.2T42 F43 R48T42-E46 WeakPolarHBondContact O-CB 3.31Å; T42-E46 PolarHBondContact O-N 3.4Å; F43-E46 PolarHBondContact O-N 3.17Å; E46-R48 PolarHBondContact O-N 2.84Å
47I93.1Very high90.9Very high72 Ų7298 Ų9837%0.36949%0.492SS..THydrogen-bonded Turntrans-83.1-0.3176.772.4-177.4000113.2A24 F43 W49A24-I47 HydrophobicContact CB-CD1 3.9Å; F43-I47 HydrophobicContact CD1-CD1 4.4Å; F43-I47 HydrophobicContact CD2-CG2 4.48Å; F43-I47 HydrophobicContact CE1-CD1 3.88Å; F43-I47 HydrophobicContact CE2-CG2 4.11Å; F43-I47 HydrophobicContact CZ-CD1 3.97Å; F43-I47 HydrophobicContact CZ-CG2 4.46Å; F43-I47 WeakPolarHBondContact O-CG1 3.5Å; F43-I47 PolarHBondContact O-N 2.92Å; I47-W49 VanDerWaalsContact C-N 3.3Å; I47-W49 HydrophobicContact CD1-CB 4.11Å; I47-W49 HydrophobicContact CD1-CD2 4.38Å; I47-W49 HydrophobicContact CD1-CE3 3.72Å; I47-W49 HydrophobicContact CG1-CB 3.9Å; I47-W49 HydrophobicContact CG1-CE3 4.44Å; I47-W49 PolarHBondContact O-N 3.23Å
48R92.7Very high90.5Very high219 Ų21996 Ų9683%0.82649%0.493SS*.THydrogen-bonded Turntrans53.246.4-175.6-55.5175.865.8-171.40.4112.1L44 Q45 E46 D50L44-R48 PolarHBondContact O-N 3.41Å; Q45-R48 PolarHBondContact O-N 3.13Å; Q45-R48 VanDerWaalsContact O-N 3.17Å; E46-R48 PolarHBondContact O-N 2.84Å; R48-D50 PolarHBondContact O-N 3.38Å
49W92.8Very high89.6Confident51 Ų5193.4 Ų93.419%0.19348%0.483CS..  trans-64.8122.2-179.3-168.8-92.4000111E21 A24 L25 L44 I47 K51E21-W49 HydrophobicContact CB-CH2 4.23Å; E21-W49 HydrophobicContact CB-CZ3 4.37Å; E21-W49 VanDerWaalsContact O-CH2 3.26Å; E21-W49 WeakPolarHBondContact O-CH2 3.25Å; A24-W49 HydrophobicContact CB-CE3 4.28Å; A24-W49 HydrophobicContact CB-CZ3 3.82Å; L25-W49 HydrophobicContact CB-CH2 4.35Å; L25-W49 HydrophobicContact CB-CZ2 4.35Å; L25-W49 HydrophobicContact CD1-CZ2 4.34Å; L44-W49 HydrophobicContact CB-CB 4.2Å; L44-W49 HydrophobicContact CD2-CB 3.7Å; L44-W49 HydrophobicContact CD2-CD2 4.39Å; L44-W49 HydrophobicContact CD2-CG 3.72Å; L44-W49 PolarHBondContact O-N 2.95Å; I47-W49 VanDerWaalsContact C-N 3.3Å; I47-W49 HydrophobicContact CD1-CB 4.11Å; I47-W49 HydrophobicContact CD1-CD2 4.38Å; I47-W49 HydrophobicContact CD1-CE3 3.72Å; I47-W49 HydrophobicContact CG1-CB 3.9Å; I47-W49 HydrophobicContact CG1-CE3 4.44Å; I47-W49 PolarHBondContact O-N 3.23Å; W49-K51 VanDerWaalsContact CD1-O 3.28Å; W49-K51 HydrophobicContact CZ2-CB 4Å; W49-K51 PolarHBondContact NE1-O 2.92Å
50D90.4Very high89.2Confident144 Ų14491.4 Ų91.477%0.7747%0.467SS*.  trans-118.4-4.1-175.967.7-27.5000113.6R48R48-D50 PolarHBondContact O-N 3.38Å
51K87.9Confident89Confident93 Ų9396.4 Ų96.440%0.40449%0.489SS..SBendtrans-87.8151-177.2-53.4-169.9-172.1-168.70111.9E21 W49 I53E21-K51 IonicContact OE1-NZ 2.71Å; E21-K51 PolarHBondContact OE1-NZ 2.93Å; E21-K51 IonicContact OE2-NZ 2.66Å; E21-K51 PolarHBondContact OE2-NZ 3.49Å; W49-K51 VanDerWaalsContact CD1-O 3.28Å; W49-K51 HydrophobicContact CZ2-CB 4Å; W49-K51 PolarHBondContact NE1-O 2.92Å; K51-I53 PolarHBondContact O-N 3.29Å
52Q86.5Confident88.9Confident173 Ų17392.6 Ų92.681%0.80847%0.473SS*.PPolyproline II helixtrans-59.5134.2173.3-171.9-176.43.500110.5
53I83.9Confident88.7Confident47 Ų4789.3 Ų89.324%0.24145%0.453CS..PPolyproline II helixtrans-102.3121.6178.2-55.6173.8000108.9L25 Y28 L44 K51 L55L25-I53 HydrophobicContact CD1-CG2 4.46Å; Y28-I53 HydrophobicContact CD1-CD1 3.94Å; Y28-I53 HydrophobicContact CD1-CG2 3.74Å; Y28-I53 HydrophobicContact CE1-CD1 3.74Å; Y28-I53 HydrophobicContact CE1-CG2 3.66Å; Y28-I53 HydrophobicContact CG-CD1 4.44Å; L44-I53 HydrophobicContact CD1-CD1 3.39Å; L44-I53 HydrophobicContact CD2-CD1 3.79Å; L44-I53 HydrophobicContact CG-CD1 4.25Å; K51-I53 PolarHBondContact O-N 3.29Å; I53-L55 HydrophobicContact CG2-CD2 4.2Å; I53-L55 HydrophobicContact CG2-CG 4.25Å
54T85.5Confident88.4Confident97 Ų9789.6 Ų89.660%0.59546%0.461SS*.  trans-106.4116.7168.353.10000108.2
55L85.1Confident88.5Confident83 Ų8394.6 Ų94.644%0.43548%0.478SS..  trans-89.2132.8178.5-66.5163000109.5Y28 E29 L32 I53Y28-L55 HydrophobicContact CD1-CD2 4.06Å; Y28-L55 HydrophobicContact CE1-CD2 3.85Å; E29-L55 HydrophobicContact CB-CD2 4.04Å; E29-L55 HydrophobicContact CG-CD2 4.08Å; L32-L55 HydrophobicContact CD2-CD1 3.3Å; L32-L55 HydrophobicContact CD2-CD2 3.89Å; L32-L55 HydrophobicContact CD2-CG 4.22Å; I53-L55 HydrophobicContact CG2-CD2 4.2Å; I53-L55 HydrophobicContact CG2-CG 4.25Å
56G81.1Confident88.5Confident39 Ų3993.5 Ų93.540%0.40247%0.467SS..  trans-77.8176.9168.600000112.7E29 H33E29-G56 PolarHBondContact OE2-N 3.01Å; H33-G56 PolarHBondContact NE2-O 3.03Å
57D83.5Confident88.4Confident147 Ų14787.5 Ų87.579%0.78644%0.443SS*.SBendtrans-71.8143.9171.8-70-49000111.1G60D57-G60 PolarHBondContact O-N 2.73Å; D57-G60 VanDerWaalsContact O-N 3.11Å
58P82.7Confident88.3Confident95 Ų9588.2 Ų88.262%0.61745%0.45SS*.THydrogen-bonded Turntrans-61.1143.5172.723.8-31.3000110.6
59P77.3Confident88.3Confident72 Ų7281.9 Ų81.947%0.46843%0.429SS..THydrogen-bonded Turncis-81.7-2.517.632.9-37.7000115.6H33 C63H33-P59 PolarHBondContact ND1-O 2.9Å; P59-C63 HydrophobicContact CB-CB 4.21Å; P59-C63 VanDerWaalsContact O-CB 3.32Å; P59-C63 WeakPolarHBondContact O-CB 3.35Å
60G86.3Confident88.3Confident7 Ų783.7 Ų83.77%0.07244%0.436CS..  trans84162.3-176.500000113.6E29 H33 D57 S64E29-G60 WeakPolarHBondContact OE1-CA 3.18Å; H33-G60 PolarHBondContact ND1-N 3.31Å; D57-G60 PolarHBondContact O-N 2.73Å; D57-G60 VanDerWaalsContact O-N 3.11Å; G60-S64 PolarHBondContact O-N 3.25Å; G60-S64 PolarHBondContact O-OG 3.37Å
61F90.4Very high88.3Confident105 Ų10578.4 Ų78.446%0.46141%0.407SS..Hα-helixtrans-66.6-46.8-171.9178.3-95.7000112.3Y26 E29 C63 S64 W65Y26-F61 HydrophobicContact CD1-CB 3.89Å; Y26-F61 AromaticContact CD1-CD1 3.87Å; Y26-F61 HydrophobicContact CD1-CD1 3.87Å; Y26-F61 HydrophobicContact CD1-CG 4.2Å; Y26-F61 AromaticContact CD2-CD1 3.67Å; Y26-F61 HydrophobicContact CD2-CD1 3.67Å; Y26-F61 HydrophobicContact CD2-CE1 4.04Å; Y26-F61 HydrophobicContact CE1-CB 3.79Å; Y26-F61 AromaticContact CE1-CD1 3.67Å; Y26-F61 HydrophobicContact CE1-CD1 3.67Å; Y26-F61 HydrophobicContact CE1-CE1 4.5Å; Y26-F61 AromaticContact CE1-CG 3.83Å; Y26-F61 HydrophobicContact CE1-CG 3.83Å; Y26-F61 AromaticContact CE2-CD1 3.43Å; Y26-F61 HydrophobicContact CE2-CD1 3.43Å; Y26-F61 VanDerWaalsContact CE2-CD1 3.43Å; Y26-F61 AromaticContact CE2-CE1 3.56Å; Y26-F61 HydrophobicContact CE2-CE1 3.56Å; Y26-F61 HydrophobicContact CE2-CG 4.35Å; Y26-F61 AromaticContact CG-CD1 3.89Å; Y26-F61 HydrophobicContact CG-CD1 3.89Å; Y26-F61 AromaticContact CZ-CD1 3.43Å; Y26-F61 VanDerWaalsContact CZ-CD1 3.43Å; Y26-F61 AromaticContact CZ-CE1 3.82Å; Y26-F61 AromaticContact CZ-CG 3.91Å; E29-F61 PolarHBondContact OE1-N 2.95Å; F61-C63 VanDerWaalsContact C-N 3.32Å; F61-C63 PolarHBondContact O-N 3.26Å; F61-S64 PolarHBondContact O-N 3.21Å; F61-W65 HydrophobicContact CE1-CB 4.43Å; F61-W65 HydrophobicContact CZ-CB 4.49Å; F61-W65 WeakPolarHBondContact O-CB 3.04Å; F61-W65 PolarHBondContact O-N 2.97Å
62L93Very high88.4Confident39 Ų3976.8 Ų76.820%0.20440%0.403CS..Hα-helixtrans-60.8-43.9-175.9-165.860.8000111.7L23 V27 Y30 W66L23-L62 HydrophobicContact CD1-CD1 4.41Å; V27-L62 HydrophobicContact CG2-CD2 3.98Å; Y30-L62 HydrophobicContact CG-CD2 4.39Å; L62-W66 WeakPolarHBondContact O-CB 3.45Å; L62-W66 PolarHBondContact O-N 3.3Å
63C91Very high88.5Confident10 Ų1072.7 Ų72.77%0.06838%0.381CS..Hα-helixtrans-60.8-53.9177.4173.10000110.9P59 F61 W65 W66 C67 Y290P59-C63 HydrophobicContact CB-CB 4.21Å; P59-C63 VanDerWaalsContact O-CB 3.32Å; P59-C63 WeakPolarHBondContact O-CB 3.35Å; F61-C63 VanDerWaalsContact C-N 3.32Å; F61-C63 PolarHBondContact O-N 3.26Å; C63-W65 VanDerWaalsContact C-N 3.31Å; C63-W65 PolarHBondContact O-N 3.26Å; C63-W66 PolarHBondContact O-N 2.88Å; C63-C67 PolarHBondContact O-N 2.87Å; C63-C67 PolarHBondContact O-SG 3.43Å; C63-Y290 WeakPolarHBondContact SG-CE1 3.16Å; C63-Y290 VanDerWaalsContact SG-CZ 3.57Å; C63-Y290 PolarHBondContact SG-OH 3.33Å
64S90.7Very high88.8Confident55 Ų5570.6 Ų70.639%0.38537%0.37SS..Hα-helixtrans-58.8-45.9-176-54.60000111.4G60 F61 V68G60-S64 PolarHBondContact O-N 3.25Å; G60-S64 PolarHBondContact O-OG 3.37Å; F61-S64 PolarHBondContact O-N 3.21Å; S64-V68 WeakPolarHBondContact O-CG2 3.34Å; S64-V68 PolarHBondContact O-N 2.89Å
65W94.3Very high88.9Confident135 Ų13566 Ų6651%0.51134%0.342SS..Hα-helixtrans-67.1-41.7178.4-176.985.9000112.1F61 C63 V68 F69F61-W65 HydrophobicContact CE1-CB 4.43Å; F61-W65 HydrophobicContact CZ-CB 4.49Å; F61-W65 WeakPolarHBondContact O-CB 3.04Å; F61-W65 PolarHBondContact O-N 2.97Å; C63-W65 VanDerWaalsContact C-N 3.31Å; C63-W65 PolarHBondContact O-N 3.26Å; W65-V68 PolarHBondContact O-N 3.47Å; W65-F69 HydrophobicContact CE3-CB 4.39Å; W65-F69 HydrophobicContact CH2-CB 4.21Å; W65-F69 HydrophobicContact CH2-CD2 4.11Å; W65-F69 HydrophobicContact CH2-CG 4.12Å; W65-F69 HydrophobicContact CZ2-CB 4.46Å; W65-F69 HydrophobicContact CZ2-CD2 4.44Å; W65-F69 HydrophobicContact CZ3-CB 4.17Å; W65-F69 HydrophobicContact CZ3-CG 4.31Å; W65-F69 WeakPolarHBondContact O-CB 3.25Å; W65-F69 PolarHBondContact O-N 3.34Å
66W94.7Very high88.9Confident123 Ų12363 Ų6347%0.46633%0.329SS..Hα-helixtrans-63.9-41.2178-178.6-102.3000112.2L62 C63 V68 F69 W70L62-W66 WeakPolarHBondContact O-CB 3.45Å; L62-W66 PolarHBondContact O-N 3.3Å; C63-W66 PolarHBondContact O-N 2.88Å; W66-V68 PolarHBondContact O-N 2.89Å; W66-F69 AromaticContact CE3-CD1 3.9Å; W66-F69 HydrophobicContact CE3-CD1 3.9Å; W66-F69 HydrophobicContact CH2-CD1 4.21Å; W66-F69 HydrophobicContact CH2-CE1 4.15Å; W66-F69 AromaticContact CZ3-CD1 3.68Å; W66-F69 HydrophobicContact CZ3-CD1 3.68Å; W66-F69 AromaticContact CZ3-CE1 3.84Å; W66-F69 HydrophobicContact CZ3-CE1 3.84Å; W66-F69 PolarHBondContact O-N 2.9Å; W66-W70 HydrophobicContact CZ2-CE3 4.04Å; W66-W70 WeakPolarHBondContact O-CB 3.45Å; W66-W70 PolarHBondContact O-N 2.87Å
67C92.4Very high88.9Confident32 Ų3265.3 Ų65.322%0.21634%0.337CS..Hα-helixtrans-57.9-47174.5-70.50000111.3C63 W70 D71 C293C63-C67 PolarHBondContact O-N 2.87Å; C63-C67 PolarHBondContact O-SG 3.43Å; C67-W70 PolarHBondContact O-N 3.07Å; C67-D71 VanDerWaalsContact O-CB 3.26Å; C67-D71 WeakPolarHBondContact O-CB 3.28Å; C67-D71 PolarHBondContact O-N 3.38Å; C67-C293 VanDerWaalsContact SG-SG 3.68Å
68V91.5Very high88.7Confident87 Ų8766.7 Ų66.753%0.52734%0.339SS..Hα-helixtrans-64.7-44.7177.2174.20000111.6S64 W65 W66 W70 D71 L72S64-V68 WeakPolarHBondContact O-CG2 3.34Å; S64-V68 PolarHBondContact O-N 2.89Å; W65-V68 PolarHBondContact O-N 3.47Å; W66-V68 PolarHBondContact O-N 2.89Å; V68-W70 VanDerWaalsContact C-N 3.33Å; V68-W70 PolarHBondContact O-N 3.08Å; V68-D71 PolarHBondContact O-N 3.48Å; V68-L72 HydrophobicContact CG1-CD1 3.95Å; V68-L72 WeakPolarHBondContact O-CB 3.1Å; V68-L72 WeakPolarHBondContact O-CG 3.33Å; V68-L72 PolarHBondContact O-N 3.24Å
69F93.2Very high88.5Confident85 Ų8566.4 Ų66.437%0.37333%0.325SS..Hα-helixtrans-60.1-45.9178.3171.3-97.9000111.5W65 W66 L72 Y73W65-F69 HydrophobicContact CE3-CB 4.39Å; W65-F69 HydrophobicContact CH2-CB 4.21Å; W65-F69 HydrophobicContact CH2-CD2 4.11Å; W65-F69 HydrophobicContact CH2-CG 4.12Å; W65-F69 HydrophobicContact CZ2-CB 4.46Å; W65-F69 HydrophobicContact CZ2-CD2 4.44Å; W65-F69 HydrophobicContact CZ3-CB 4.17Å; W65-F69 HydrophobicContact CZ3-CG 4.31Å; W65-F69 WeakPolarHBondContact O-CB 3.25Å; W65-F69 PolarHBondContact O-N 3.34Å; W66-F69 AromaticContact CE3-CD1 3.9Å; W66-F69 HydrophobicContact CE3-CD1 3.9Å; W66-F69 HydrophobicContact CH2-CD1 4.21Å; W66-F69 HydrophobicContact CH2-CE1 4.15Å; W66-F69 AromaticContact CZ3-CD1 3.68Å; W66-F69 HydrophobicContact CZ3-CD1 3.68Å; W66-F69 AromaticContact CZ3-CE1 3.84Å; W66-F69 HydrophobicContact CZ3-CE1 3.84Å; W66-F69 PolarHBondContact O-N 2.9Å; F69-L72 PolarHBondContact O-N 3.36Å; F69-Y73 VanDerWaalsContact O-CB 3.32Å; F69-Y73 WeakPolarHBondContact O-CB 3.45Å; F69-Y73 PolarHBondContact O-N 3.26Å
70W91.8Very high88.4Confident89 Ų8965.2 Ų65.234%0.33731%0.311SS..Hα-helixtrans-67.2-42.9-179-175.5-100.9000111.6W66 C67 V68 L72 Y73 C74 C293W66-W70 HydrophobicContact CZ2-CE3 4.04Å; W66-W70 WeakPolarHBondContact O-CB 3.45Å; W66-W70 PolarHBondContact O-N 2.87Å; C67-W70 PolarHBondContact O-N 3.07Å; V68-W70 VanDerWaalsContact C-N 3.33Å; V68-W70 PolarHBondContact O-N 3.08Å; W70-L72 PolarHBondContact O-N 3.19Å; W70-Y73 HydrophobicContact CE3-CD1 4.04Å; W70-Y73 HydrophobicContact CH2-CD1 4.48Å; W70-Y73 HydrophobicContact CH2-CE1 4.45Å; W70-Y73 AromaticContact CZ3-CD1 3.91Å; W70-Y73 HydrophobicContact CZ3-CD1 3.91Å; W70-Y73 AromaticContact CZ3-CE1 4Å; W70-Y73 HydrophobicContact CZ3-CE1 4Å; W70-Y73 CarbonylContact O-C 3.58Å; W70-Y73 WeakPolarHBondContact O-CA 3.46Å; W70-Y73 WeakPolarHBondContact O-CB 3.11Å; W70-Y73 PolarHBondContact O-N 3.46Å; W70-C74 PolarHBondContact NE1-SG 3.47Å; W70-C74 WeakPolarHBondContact O-CB 3.38Å; W70-C74 PolarHBondContact O-N 3.14Å; W70-C74 PolarHBondContact O-SG 2.99Å; W70-C293 PolarHBondContact NE1-O 3.34Å
71D90.8Very high87.7Confident33 Ų3372.5 Ų72.518%0.17635%0.349CS..Hα-helixtrans-59.7-44.6174.7-17328000112C67 V68 Y73 C74 A75 H85 S86 A89C67-D71 VanDerWaalsContact O-CB 3.26Å; C67-D71 WeakPolarHBondContact O-CB 3.28Å; C67-D71 PolarHBondContact O-N 3.38Å; V68-D71 PolarHBondContact O-N 3.48Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 3.4Å; D71-C74 PolarHBondContact O-N 3.46Å; D71-A75 VanDerWaalsContact O-CB 3.24Å; D71-A75 WeakPolarHBondContact O-CB 3.26Å; D71-A75 PolarHBondContact O-N 3.46Å; D71-H85 WeakPolarHBondContact OD1-CA 3.18Å; D71-S86 PolarHBondContact OD1-N 3.5Å; D71-S86 WeakPolarHBondContact OD2-CB 3.44Å; D71-S86 PolarHBondContact OD2-OG 3.25Å; D71-A89 HydrophobicContact CB-CB 4.39Å; D71-A89 WeakPolarHBondContact OD2-CB 3.49Å
72L90.7Very high87Confident59 Ų5973.1 Ų73.131%0.30936%0.362SS..Hα-helixtrans-62.6-36.9172.3-74.4167.8000112.7V68 F69 W70 A75 A76 A89 F92 H93V68-L72 HydrophobicContact CG1-CD1 3.95Å; V68-L72 WeakPolarHBondContact O-CB 3.1Å; V68-L72 WeakPolarHBondContact O-CG 3.33Å; V68-L72 PolarHBondContact O-N 3.24Å; F69-L72 PolarHBondContact O-N 3.36Å; W70-L72 PolarHBondContact O-N 3.19Å; L72-A75 CarbonylContact O-C 3.51Å; L72-A75 PolarHBondContact O-N 3.46Å; L72-A76 PolarHBondContact O-N 3.28Å; L72-A89 HydrophobicContact CD2-CB 4.07Å; L72-A89 HydrophobicContact CG-CB 4.46Å; L72-F92 HydrophobicContact CD2-CB 3.92Å; L72-F92 HydrophobicContact CD2-CD2 4.46Å; L72-F92 HydrophobicContact CD2-CG 4.33Å; L72-H93 PolarHBondContact O-NE2 3.47Å
73Y89.1Confident86.1Confident88 Ų8873.1 Ų73.135%0.34537%0.365SS..Hα-helixtrans-69.8-42178.7-179.8-111.6000112F69 W70 D71 A75 A76 R79F69-Y73 VanDerWaalsContact O-CB 3.32Å; F69-Y73 WeakPolarHBondContact O-CB 3.45Å; F69-Y73 PolarHBondContact O-N 3.26Å; W70-Y73 HydrophobicContact CE3-CD1 4.04Å; W70-Y73 HydrophobicContact CH2-CD1 4.48Å; W70-Y73 HydrophobicContact CH2-CE1 4.45Å; W70-Y73 AromaticContact CZ3-CD1 3.91Å; W70-Y73 HydrophobicContact CZ3-CD1 3.91Å; W70-Y73 AromaticContact CZ3-CE1 4Å; W70-Y73 HydrophobicContact CZ3-CE1 4Å; W70-Y73 CarbonylContact O-C 3.58Å; W70-Y73 WeakPolarHBondContact O-CA 3.46Å; W70-Y73 WeakPolarHBondContact O-CB 3.11Å; W70-Y73 PolarHBondContact O-N 3.46Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 3.4Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A76 WeakPolarHBondContact O-CB 3.21Å; Y73-A76 PolarHBondContact O-N 3.48Å; Y73-R79 PolarHBondContact OH-NH1 3.47Å; Y73-R79 PolarHBondContact OH-NH2 3.06Å
74C90Very high85.6Confident3 Ų379.7 Ų79.72%0.0240%0.395CS..Hα-helixtrans-65.1-37.7173.5-66.70000111.4W70 D71 A76 E84 H85W70-C74 PolarHBondContact NE1-SG 3.47Å; W70-C74 WeakPolarHBondContact O-CB 3.38Å; W70-C74 PolarHBondContact O-N 3.14Å; W70-C74 PolarHBondContact O-SG 2.99Å; D71-C74 PolarHBondContact O-N 3.46Å; C74-A76 PolarHBondContact O-N 2.54Å; C74-E84 WeakPolarHBondContact CB-O 3.43Å; C74-H85 HydrophobicContact CB-CB 3.9Å
75A87Confident85.3Confident0 Ų079.7 Ų79.70%039%0.388CS..THydrogen-bonded Turntrans-752.5173.700000114.5D71 L72 Y73 R80 H85 A89 H93D71-A75 VanDerWaalsContact O-CB 3.24Å; D71-A75 WeakPolarHBondContact O-CB 3.26Å; D71-A75 PolarHBondContact O-N 3.46Å; L72-A75 CarbonylContact O-C 3.51Å; L72-A75 PolarHBondContact O-N 3.46Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; A75-R80 VanDerWaalsContact O-CZ 3.3Å; A75-R80 PolarHBondContact O-NE 3.07Å; A75-R80 PolarHBondContact O-NH2 3.36Å; A75-R80 VanDerWaalsContact O-NH2 3.09Å; A75-H85 HydrophobicContact CB-CB 3.92Å; A75-A89 VanDerWaalsContact CB-C 3.5Å; A75-A89 HydrophobicContact CB-CB 3.56Å; A75-H93 PolarHBondContact O-CD2 2.89Å
76A85.8Confident85Confident21 Ų2175.2 Ų75.217%0.17438%0.378CS..SBendtrans-66.6136.5173.700000109.8L72 Y73 C74 E78 R79 R80L72-A76 PolarHBondContact O-N 3.28Å; Y73-A76 WeakPolarHBondContact O-CB 3.21Å; Y73-A76 PolarHBondContact O-N 3.48Å; C74-A76 PolarHBondContact O-N 2.54Å; A76-E78 PolarHBondContact O-N 3.46Å; A76-R79 PolarHBondContact O-N 2.83Å; A76-R80 WeakPolarHBondContact O-CG 3.33Å; A76-R80 PolarHBondContact O-N 3.33Å
77P79.8Confident84.5Confident87 Ų8776.1 Ų76.157%0.56539%0.391SS*.THydrogen-bonded Turntrans-50.5-30.4-172.2-29.934.7000115.9R79P77-R79 VanDerWaalsContact C-N 3.32Å; P77-R79 PolarHBondContact O-N 3.31Å
78E80Confident84.2Confident175 Ų17581.1 Ų81.182%0.81841%0.412SS*.THydrogen-bonded Turntrans-73.7-17.4179.4-172.6173.2-176.200114.2A76A76-E78 PolarHBondContact O-N 3.46Å
79R78.5Confident84Confident90 Ų9077.1 Ų77.134%0.3439%0.388SS..THydrogen-bonded Turntrans-119.8-13.4-168-66172.3-174.6-113.3-0.2114.7Y73 A76 P77 D81 T82 S83Y73-R79 PolarHBondContact OH-NH1 3.47Å; Y73-R79 PolarHBondContact OH-NH2 3.06Å; A76-R79 PolarHBondContact O-N 2.83Å; P77-R79 VanDerWaalsContact C-N 3.32Å; P77-R79 PolarHBondContact O-N 3.31Å; R79-D81 PolarHBondContact O-N 3.48Å; R79-D81 VanDerWaalsContact O-N 3.09Å; R79-T82 PolarHBondContact O-N 2.69Å; R79-T82 PolarHBondContact O-OG1 2.89Å; R79-S83 PolarHBondContact O-N 2.81Å
80R75.7Confident83.6Confident46 Ų4676.8 Ų76.817%0.17439%0.386CS..THydrogen-bonded Turntrans-55.2-31.4-174-61.1-174.5179.6171.4-8.6114A75 A76 T82 H85 K90 D94A75-R80 VanDerWaalsContact O-CZ 3.3Å; A75-R80 PolarHBondContact O-NE 3.07Å; A75-R80 PolarHBondContact O-NH2 3.36Å; A75-R80 VanDerWaalsContact O-NH2 3.09Å; A76-R80 WeakPolarHBondContact O-CG 3.33Å; A76-R80 PolarHBondContact O-N 3.33Å; R80-T82 PolarHBondContact O-N 2.93Å; R80-H85 WeakPolarHBondContact CG-NE2 3.41Å; R80-K90 PolarHBondContact NH2-O 3.22Å; R80-D94 IonicContact CZ-OD1 3.19Å; R80-D94 IonicContact NH1-OD1 2.62Å; R80-D94 PolarHBondContact NH1-OD1 3.18Å; R80-D94 IonicContact NH1-OD2 2.66Å; R80-D94 IonicContact NH2-OD1 2.84Å; R80-D94 PolarHBondContact NH2-OD1 2.83Å
81D71.8Confident83.3Confident161 Ų16174.2 Ų74.286%0.86138%0.384SS*.THydrogen-bonded Turntrans-74.5-11.8-180-60.2-42000113.3R79R79-D81 PolarHBondContact O-N 3.48Å; R79-D81 VanDerWaalsContact O-N 3.09Å
82T75Confident83Confident118 Ų11878 Ų7872%0.72440%0.399SS*.THydrogen-bonded Turntrans-120.5-14.9-173.161.80000114.4R79 R80R79-T82 PolarHBondContact O-N 2.69Å; R79-T82 PolarHBondContact O-OG1 2.89Å; R80-T82 PolarHBondContact O-N 2.93Å
83S73.9Confident82.7Confident39 Ų3977.3 Ų77.327%0.27339%0.394SS..SBendtrans-133.8130.9-170.7-54.40000110R79R79-S83 PolarHBondContact O-N 2.81Å
84E80.9Confident82.3Confident148 Ų14876.2 Ų76.269%0.69239%0.394SS*.  trans-65.4138.9174.3-64.9179.7167.700109.9C74C74-E84 WeakPolarHBondContact CB-O 3.43Å
85H85.4Confident81.7Confident55 Ų5585.7 Ų85.726%0.25543%0.431SS..  trans-152.2159.4-178.963.854.6000111.1D71 C74 A75 R80D71-H85 WeakPolarHBondContact OD1-CA 3.18Å; C74-H85 HydrophobicContact CB-CB 3.9Å; A75-H85 HydrophobicContact CB-CB 3.92Å; R80-H85 WeakPolarHBondContact CG-NE2 3.41Å
86S86.1Confident80.5Confident41 Ų4186.5 Ų86.529%0.28744%0.44SS..  trans-75.3154.8176.583.20000112.4D71 E88 A89 K90D71-S86 PolarHBondContact OD1-N 3.5Å; D71-S86 WeakPolarHBondContact OD2-CB 3.44Å; D71-S86 PolarHBondContact OD2-OG 3.25Å; S86-E88 PolarHBondContact O-N 3.01Å; S86-E88 PolarHBondContact OG-N 2.84Å; S86-A89 PolarHBondContact O-N 3.35Å; S86-A89 WeakPolarHBondContact OG-CB 3.33Å; S86-A89 PolarHBondContact OG-N 3.4Å; S86-K90 PolarHBondContact O-N 3.06Å
87N84.6Confident79.1Confident141 Ų14193.1 Ų93.175%0.75447%0.465SS*.Hα-helixtrans-66-27.9174.3-70.4-51.7000112.2A91N87-A91 WeakPolarHBondContact O-CB 3.39Å; N87-A91 PolarHBondContact O-N 3.32Å
88E87.6Confident77.9Confident138 Ų13895.4 Ų95.465%0.64547%0.471SS*.Hα-helixtrans-70.2-47.8177.6-177.6169.1-17700110.5S86 K90 A91 F92S86-E88 PolarHBondContact O-N 3.01Å; S86-E88 PolarHBondContact OG-N 2.84Å; E88-K90 VanDerWaalsContact C-N 3.3Å; E88-K90 PolarHBondContact O-N 3.4Å; E88-A91 WeakPolarHBondContact O-CB 3.48Å; E88-A91 PolarHBondContact O-N 3.47Å; E88-F92 HydrophobicContact CG-CD2 4.04Å; E88-F92 HydrophobicContact CG-CE2 3.67Å; E88-F92 WeakPolarHBondContact O-CD2 3.41Å; E88-F92 PolarHBondContact O-N 3.23Å
89A87.1Confident76.3Confident3 Ų391.9 Ų91.93%0.02546%0.458CS..Hα-helixtrans-60.4-39175.800000112.6D71 L72 A75 S86 F92 H93D71-A89 HydrophobicContact CB-CB 4.39Å; D71-A89 WeakPolarHBondContact OD2-CB 3.49Å; L72-A89 HydrophobicContact CD2-CB 4.07Å; L72-A89 HydrophobicContact CG-CB 4.46Å; A75-A89 VanDerWaalsContact CB-C 3.5Å; A75-A89 HydrophobicContact CB-CB 3.56Å; S86-A89 PolarHBondContact O-N 3.35Å; S86-A89 WeakPolarHBondContact OG-CB 3.33Å; S86-A89 PolarHBondContact OG-N 3.4Å; A89-F92 PolarHBondContact O-N 3.49Å; A89-H93 PolarHBondContact O-CD2 3.47Å; A89-H93 PolarHBondContact O-N 3.44Å
90K85.1Confident74.6Confident77 Ų7791.4 Ų91.434%0.33547%0.468SS..Hα-helixtrans-59.8-45.9172.2-176.6179.4-176.6-67.10111.6R80 S86 E88 F92 H93 D94R80-K90 PolarHBondContact NH2-O 3.22Å; S86-K90 PolarHBondContact O-N 3.06Å; E88-K90 VanDerWaalsContact C-N 3.3Å; E88-K90 PolarHBondContact O-N 3.4Å; K90-F92 VanDerWaalsContact C-N 3.3Å; K90-F92 PolarHBondContact O-N 2.76Å; K90-H93 PolarHBondContact O-N 3.45Å; K90-D94 WeakPolarHBondContact CG-OD2 3.24Å; K90-D94 IonicContact NZ-OD2 3.65Å; K90-D94 PolarHBondContact NZ-OD2 2.71Å; K90-D94 WeakPolarHBondContact O-CB 3.39Å; K90-D94 VanDerWaalsContact O-CG 3.24Å; K90-D94 PolarHBondContact O-N 3.42Å
91A85.3Confident72.9Confident36 Ų3692.3 Ų92.330%0.29849%0.492SS..Hα-helixtrans-62.6-3517900000112.5N87 E88 H93 D94 Y95N87-A91 WeakPolarHBondContact O-CB 3.39Å; N87-A91 PolarHBondContact O-N 3.32Å; E88-A91 WeakPolarHBondContact O-CB 3.48Å; E88-A91 PolarHBondContact O-N 3.47Å; A91-H93 PolarHBondContact O-N 3.42Å; A91-D94 PolarHBondContact O-N 3.05Å; A91-Y95 HydrophobicContact CB-CD2 4.01Å; A91-Y95 HydrophobicContact CB-CE2 4.41Å; A91-Y95 WeakPolarHBondContact O-CB 3.49Å; A91-Y95 PolarHBondContact O-N 2.9Å
92F84Confident71.3Confident111 Ų11194.9 Ų94.949%0.48749%0.491SS..Hα-helixtrans-61.6-40.3174.6-86.3-78.3000112.7L72 E88 A89 K90 G96L72-F92 HydrophobicContact CD2-CB 3.92Å; L72-F92 HydrophobicContact CD2-CD2 4.46Å; L72-F92 HydrophobicContact CD2-CG 4.33Å; E88-F92 HydrophobicContact CG-CD2 4.04Å; E88-F92 HydrophobicContact CG-CE2 3.67Å; E88-F92 WeakPolarHBondContact O-CD2 3.41Å; E88-F92 PolarHBondContact O-N 3.23Å; A89-F92 PolarHBondContact O-N 3.49Å; K90-F92 VanDerWaalsContact C-N 3.3Å; K90-F92 PolarHBondContact O-N 2.76Å; F92-G96 CarbonylContact O-C 3.33Å; F92-G96 WeakPolarHBondContact O-CA 3.38Å; F92-G96 PolarHBondContact O-N 2.86Å
93H84.2Confident69.7Low45 Ų4593.2 Ų93.221%0.20849%0.489CS..Hα-helixtrans-77.7-32.3175.9-78.3-76.6000113.2L72 A75 A89 K90 A91L72-H93 PolarHBondContact O-NE2 3.47Å; A75-H93 PolarHBondContact O-CD2 2.89Å; A89-H93 PolarHBondContact O-CD2 3.47Å; A89-H93 PolarHBondContact O-N 3.44Å; K90-H93 PolarHBondContact O-N 3.45Å; A91-H93 PolarHBondContact O-N 3.42Å
94D81.1Confident68.1Low66 Ų6697.4 Ų97.435%0.35351%0.513SS..Hα-helixtrans-77.8-37-178-71.5-4.1000113R80 K90 A91R80-D94 IonicContact CZ-OD1 3.19Å; R80-D94 IonicContact NH1-OD1 2.62Å; R80-D94 PolarHBondContact NH1-OD1 3.18Å; R80-D94 IonicContact NH1-OD2 2.66Å; R80-D94 IonicContact NH2-OD1 2.84Å; R80-D94 PolarHBondContact NH2-OD1 2.83Å; K90-D94 WeakPolarHBondContact CG-OD2 3.24Å; K90-D94 IonicContact NZ-OD2 3.65Å; K90-D94 PolarHBondContact NZ-OD2 2.71Å; K90-D94 WeakPolarHBondContact O-CB 3.39Å; K90-D94 VanDerWaalsContact O-CG 3.24Å; K90-D94 PolarHBondContact O-N 3.42Å; A91-D94 PolarHBondContact O-N 3.05Å
95Y75.9Confident66.1Low201 Ų20197.2 Ų97.279%0.78852%0.517SS*.Hα-helixtrans-117.4-20.5-175-56.8-63.6000113.5A91A91-Y95 HydrophobicContact CB-CD2 4.01Å; A91-Y95 HydrophobicContact CB-CE2 4.41Å; A91-Y95 WeakPolarHBondContact O-CB 3.49Å; A91-Y95 PolarHBondContact O-N 2.9Å
96G63.8Low63.7Low18 Ų1897.7 Ų97.719%0.18654%0.537CS..SBendtrans-103.294.8-167.100000114F92 I98F92-G96 CarbonylContact O-C 3.33Å; F92-G96 WeakPolarHBondContact O-CA 3.38Å; F92-G96 PolarHBondContact O-N 2.86Å; G96-I98 WeakPolarHBondContact O-CG1 3.32Å; G96-I98 PolarHBondContact O-N 3.33Å
97F55.6Low61.6Low160 Ų160103.1 Ų103.170%0.70256%0.561SS**SBendtrans56.7-19.7150.3-67.3-85.5000121.5N99 S100F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 PolarHBondContact O-N 3.18Å; F97-S100 PolarHBondContact O-N 2.66Å; F97-S100 VanDerWaalsContact O-N 3.14Å
98I53.8Low59.4Low134 Ų134105.3 Ų105.369%0.68757%0.566SS**SBendtrans-77-18.9-177.9-47.7174.8000111G96G96-I98 WeakPolarHBondContact O-CG1 3.32Å; G96-I98 PolarHBondContact O-N 3.33Å
99N46.5Very low57.2Low102 Ų102101.2 Ų101.255%0.54556%0.562SS.*SBendtrans-99-5168.4-148.2-17000113.2F97 G101F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 PolarHBondContact O-N 3.18Å; N99-G101 PolarHBondContact O-N 2.62Å; N99-G101 VanDerWaalsContact O-N 3.17Å
100S43.6Very low55.2Low79 Ų79107.3 Ų107.355%0.55260%0.601SS**SBendtrans-87.180.4168.2-760000109.7F97 Y102F97-S100 PolarHBondContact O-N 2.66Å; F97-S100 VanDerWaalsContact O-N 3.14Å; S100-Y102 PolarHBondContact O-N 3.27Å
101G38.9Very low53.1Low66 Ų66106.4 Ų106.468%0.6861%0.614SS**  trans13.467.4153.700000118.8N99 A103N99-G101 PolarHBondContact O-N 2.62Å; N99-G101 VanDerWaalsContact O-N 3.17Å; G101-A103 PolarHBondContact O-N 2.68Å
102Y40Very low51.1Low214 Ų214109.5 Ų109.584%0.83964%0.639SS**  trans-67.180.8137.3-77.5-79.3000105.8S100 V104S100-Y102 PolarHBondContact O-N 3.27Å; Y102-V104 PolarHBondContact O-N 3.48Å
103A40Very low49.4Very low83 Ų83108.1 Ų108.169%0.68665%0.648SS**  trans-64.974.4168.700000108G101 N105G101-A103 PolarHBondContact O-N 2.68Å; A103-N105 VanDerWaalsContact C-N 3.33Å; A103-N105 PolarHBondContact O-N 2.84Å
104V41.4Very low47.5Very low128 Ų128112 Ų11278%0.77668%0.677SS**SBendtrans-78.298.4145.874.20000104.1Y102Y102-V104 PolarHBondContact O-N 3.48Å
105N38.6Very low45.8Very low143 Ų143113.8 Ų113.877%0.76570%0.695SS**SBendtrans63.773.2177.6-62.3-5.1000116.6A103 I107A103-N105 VanDerWaalsContact C-N 3.33Å; A103-N105 PolarHBondContact O-N 2.84Å; N105-I107 VanDerWaalsContact C-N 3.31Å; N105-I107 PolarHBondContact O-N 2.94Å
106G33.8Very low44.2Very low66 Ų66109.5 Ų109.568%0.6869%0.692SS**  5215.2127.800000122.5
107I42.9Very low43.4Very low154 Ų154117.1 Ų117.179%0.7973%0.727SS**  trans-126.592.4-175.6-55-176.5000111.3N105N105-I107 VanDerWaalsContact C-N 3.31Å; N105-I107 PolarHBondContact O-N 2.94Å
108H39.3Very low43Very low187 Ų187114.1 Ų114.187%0.86673%0.732SS**  trans23.2105.2144.6-68.8-113.3000118
109G40.4Very low43.1Very low53 Ų53115.7 Ų115.755%0.54674%0.738SS.*  trans-118.5138.8153.400000109.5G111G109-G111 PolarHBondContact O-N 3.29Å; G109-G111 VanDerWaalsContact O-N 3.09Å
110P46Very low43.9Very low130 Ų130115.6 Ų115.684%0.84474%0.743SS**  trans-77.4102.8-171.930.3-30.5000110.3A112P110-A112 PolarHBondContact O-N 3.18Å
111G40.6Very low44.5Very low59 Ų59118 Ų11861%0.60876%0.757SS**  trans-68.8114.1167.600000110.7G109 A113G109-G111 PolarHBondContact O-N 3.29Å; G109-G111 VanDerWaalsContact O-N 3.09Å; G111-A113 PolarHBondContact O-N 3.09Å
112A43.6Very low45.2Very low101 Ų101124 Ų12484%0.83577%0.768SS**  trans-69.1115.4158.600000108.8P110P110-A112 PolarHBondContact O-N 3.18Å
113A47.6Very low45.7Very low81 Ų81116.8 Ų116.867%0.66976%0.758SS**  trans-145.4111.6154.800000107.9G111 S115G111-A113 PolarHBondContact O-N 3.09Å; A113-S115 PolarHBondContact O-N 3.18Å
114P44.5Very low46.1Very low126 Ų126118.8 Ų118.882%0.81876%0.764SS**  trans-78.1104.1164.830-26.6000107.3P116P114-P116 WeakPolarHBondContact O-CD 3.5Å
115S45.4Very low46.3Very low104 Ų104120 Ų12073%0.72777%0.766SS**  trans-73.5114.8169.4-67.80000109.6A113A113-S115 PolarHBondContact O-N 3.18Å
116P42.1Very low46.5Very low112 Ų112119.8 Ų119.873%0.72777%0.77SS**SBendtrans-72.3137.6158.632.2-31.1000107.7P114P114-P116 WeakPolarHBondContact O-CD 3.5Å
117L46.8Very low47.8Very low178 Ų178124.6 Ų124.693%0.93278%0.779SS**  trans79.475.8175.4-55152.4000115.9
118A48.4Very low48Very low96 Ų96122.3 Ų122.379%0.79378%0.775SS**  trans-151.6124.214600000109.3
119M54.1Low48.3Very low168 Ų168119.5 Ų119.583%0.82878%0.776SS**PPolyproline II helixtrans-47.2148.7-175.7-75.6-98.990.900115.1
120P63.4Low48.4Very low100 Ų100120.4 Ų120.465%0.64979%0.785SS**PPolyproline II helixtrans-67.4136.3164.529.1-29.9000109.6Q122P120-Q122 PolarHBondContact O-N 2.93Å
121P57.1Low48.3Very low129 Ų129120.6 Ų120.684%0.83879%0.786SS**PPolyproline II helixtrans-68.2123.8173.3-924.1000109.1G123P121-G123 PolarHBondContact O-N 2.78Å
122Q53.8Low48.6Very low193 Ų193123 Ų12390%0.90280%0.801SS**PPolyproline II helixtrans-63.1129.5170.2-70.2179.3-42.600109.5P120P120-Q122 PolarHBondContact O-N 2.93Å
123G50.7Low48.5Very low62 Ų62121.3 Ų121.364%0.63979%0.793SS**PPolyproline II helixtrans-64.7157174.100000112.4P121 D125P121-G123 PolarHBondContact O-N 2.78Å; G123-D125 PolarHBondContact O-N 3.14Å
124P47.9Very low48.6Very low124 Ų124126.4 Ų126.481%0.80581%0.808SS**  trans-89.1100.4-169.634-28.7000110.6
125D45.8Very low48.6Very low154 Ų154124 Ų12482%0.82481%0.806SS**  trans-137.682.2163.6-73.9-54000109.1G123G123-D125 PolarHBondContact O-N 3.14Å
126T41.8Very low49.1Very low139 Ų139124.9 Ų124.985%0.85381%0.809SS**  trans-110.391165.456.20000108.9
127L61Low49.5Very low166 Ų166124.8 Ų124.887%0.86981%0.808SS**  trans-68.6140.6162.9-69.9162.1000110
128P48.2Very low49.6Very low107 Ų107125 Ų12570%0.69580%0.804SS**  trans-105.6145.1168.735.1-25.8000112.4
129S45Very low49.3Very low128 Ų128122.8 Ų122.890%0.89579%0.791SS**  trans78.7132.4160.9-25.30000114.9
130G42.3Very low49.2Very low71 Ų71123.2 Ų123.273%0.73279%0.788SS**  cis178.317812.200000107.7
131P43.6Very low48.5Very low135 Ų135126.8 Ų126.888%0.87779%0.794SS**  trans-103.5137-143.936.6-31.5000115.7
132A47.3Very low48.2Very low110 Ų110128.6 Ų128.691%0.90979%0.791SS**  trans-177.6134.9155.700000105.9
133G42.6Very low47.7Very low65 Ų65125.8 Ų125.867%0.6779%0.79SS**  cis-179.9157.5-0.200000105.7
134L49.4Very low47.5Very low187 Ų187126.7 Ų126.798%0.97980%0.799SS**  trans65.8102.8149.8-52.4172.7000118.6
135G43.5Very low47.7Very low76 Ų76127.5 Ų127.578%0.78480%0.801SS**  trans137.3108139.400000117.1
136P56.2Low47.6Very low123 Ų123126 Ų12680%0.79980%0.8SS**  trans-100.5-174.3154.740.9-29.6000109.1
137P50.4Low47.3Very low109 Ų109122.8 Ų122.871%0.70879%0.794SS**  cis-140.5171.2935.5-12.9000116.6
138H48.4Very low46.6Very low183 Ų183119.2 Ų119.285%0.84778%0.783SS**  trans4.9131.2148.6-59.1-83.6000121
139G42.6Very low46.4Very low49 Ų49122.1 Ų122.151%0.50579%0.787SS.*  trans-167.2109.7153.300000113.4
140F52.5Low46.6Very low178 Ų178123.9 Ų123.978%0.78179%0.785SS**  86.814592.242.2-119000114.3
141F48.5Very low46.3Very low174 Ų174131.8 Ų131.876%0.76379%0.793SS**  trans90.3121.4-178.8-56.3-79.7000116.7
142Q49.8Very low46.2Very low167 Ų167130 Ų13078%0.7878%0.782SS**  cis-159.8149.2-14-80.5-153.3-26.700109.2
143P43.3Very low45.9Very low134 Ų134130.1 Ų130.187%0.8778%0.776SS**  trans-105.6147.3164.17.713.5000113.4
144G47Very low45.8Very low81 Ų81132.4 Ų132.484%0.83578%0.779SS**  trans-154.7101.9172.100000113.5
145V51.8Low45.5Very low141 Ų141132.1 Ų132.186%0.85577%0.772SS**  trans-78.6-174.6160.9-65.60000109.2
146P44.4Very low45.4Very low123 Ų123137.1 Ų137.180%0.79978%0.775SS**  cis-138.7173.93.230.6-5.5000115.2
147G36.4Very low44.6Very low71 Ų71135 Ų13573%0.73278%0.776SS**  trans-89.3-174.3-168.600000118.1
148S44.7Very low44.2Very low91 Ų91136.9 Ų136.964%0.63679%0.785SS**  trans-174.8107.1164.338.10000112.3
149H43.9Very low43.8Very low168 Ų168133.3 Ų133.378%0.77878%0.781SS**  trans21.7113.9135.831.7-93.5000118.3
150I49.2Very low43.9Very low166 Ų166140.6 Ų140.685%0.85180%0.802SS**  trans-163.2128132.9-64.1-155000109.3
151R37.9Very low43.4Very low236 Ų236141 Ų14189%0.89181%0.806SS**  trans-102.3135.4158.4159.7-177.7169.5-170.7-2.3106.4
152P41.5Very low42.9Very low99 Ų99138.4 Ų138.464%0.64381%0.81SS**  -155.3153.694.839.3-18.7000113.6
153S39.7Very low42.5Very low112 Ų112135.3 Ų135.378%0.78380%0.804SS**  145154.781.3-1090000107.9
154P41.8Very low42.6Very low113 Ų113138.2 Ų138.273%0.73481%0.806SS**  trans-99.6143.6175.136.5-27.8000112.7
155Q41.9Very low42.2Very low181 Ų181139.1 Ų139.185%0.84681%0.805SS**  trans157.1150.4166.3-95164.419.900107.3
156Q40.9Very low41.6Very low180 Ų180140.2 Ų140.284%0.84181%0.805SS**  cis-180154.4-10.2-117.9-177.2-2000105.3
157G40.2Very low41.5Very low80 Ų80142.5 Ų142.583%0.82581%0.81SS**  trans115.5120.1166.300000112.8
158V42.6Very low41.7Very low147 Ų147144.7 Ų144.789%0.89180%0.804SS**  cis-150.6148.13773.70000111.1
159S38.8Very low41.4Very low109 Ų109147.3 Ų147.376%0.76281%0.807SS**  trans-67.3135.7-172.5-48.20000115.6
160Q45.8Very low41.3Very low202 Ų202145.9 Ų145.994%0.94480%0.801SS**  trans-152.3116.2140.3-107.7-172.481.200109.7
161Q41.7Very low40.6Very low187 Ų187146.3 Ų146.387%0.87480%0.804SS**  trans-86.5139.4178.1-73.6169.5-27.400110.3
162S37.8Very low41Very low119 Ų119141.9 Ų141.983%0.83279%0.792SS**  trans-162.2144.9150.2-83.80000110.7
163P41.7Very low41Very low102 Ų102143.8 Ų143.866%0.66280%0.795SS**  trans-126.1100.6-134.335.2-17.3000113.4
164H44.5Very low40.8Very low195 Ų195143.2 Ų143.290%0.90379%0.791SS**  trans-142.664.4165-67.1-71000111.6
165A38.6Very low40.7Very low99 Ų99143.9 Ų143.982%0.81879%0.793SS**  trans-135.867.4164.200000108.2
166L39.1Very low40.7Very low165 Ų165146.5 Ų146.586%0.86480%0.795SS**  trans-168.760.5171.5-100.3163.7000110.6
167L43.3Very low40.4Very low170 Ų170148.8 Ų148.889%0.8980%0.798SS**  trans-136.970.9146.4-15190.5000105.3
168N39.5Very low41.1Very low117 Ų117150.9 Ų150.963%0.62680%0.797SS**  54.977.595.4-159.143.5000109
169Q39.9Very low41.1Very low147 Ų147149.6 Ų149.669%0.68780%0.795SS**  89.3112.2104.4-91.9-158.891.800112.3
170Q41Very low41.5Very low138 Ų138147.9 Ų147.965%0.64579%0.794SS**  trans53.682.4132.9-65.3-160.8-1400116.8F172Q170-F172 HydrophobicContact CB-CD2 3.94Å; Q170-F172 HydrophobicContact CG-CD2 3.82Å; Q170-F172 HydrophobicContact CG-CE2 4.34Å; Q170-F172 PolarHBondContact O-N 3.4Å; Q170-F172 VanDerWaalsContact O-N 3.08Å
171N34.9Very low41.3Very low174 Ų174144.7 Ų144.793%0.9379%0.791SS**  trans-70.785138.9-82.5-37.4000108.3
172F45.1Very low41.5Very low144 Ų144138.9 Ų138.963%0.63278%0.781SS**  trans-124.5112.5163.6-83.1-84.4000108.8Q170Q170-F172 HydrophobicContact CB-CD2 3.94Å; Q170-F172 HydrophobicContact CG-CD2 3.82Å; Q170-F172 HydrophobicContact CG-CE2 4.34Å; Q170-F172 PolarHBondContact O-N 3.4Å; Q170-F172 VanDerWaalsContact O-N 3.08Å
173I42.7Very low42Very low139 Ų139138.5 Ų138.571%0.71378%0.778SS**  trans65.8109.4130.9-63.6174.9000117.1
174S34.4Very low42.4Very low100 Ų100145.3 Ų145.370%0.69979%0.791SS**  trans69.5118138.1-610000119.9
175T40.8Very low42.3Very low126 Ų126142.3 Ų142.377%0.77379%0.789SS**  40.597.9121.5-390000116.3
176R40.8Very low42.3Very low237 Ų237141.1 Ų141.189%0.89479%0.786SS**  trans-179.5126.7130.3-101.8177.7-105.7-135.56.8111.8
177Y35.5Very low42.5Very low227 Ų227139.8 Ų139.889%0.8979%0.787SS**  trans-55149.1164.5-77.1-100000111.4
178P54.1Low42.4Very low124 Ų124135 Ų13581%0.80578%0.779SS**  trans-122.8117.3140.828.4-13.7000110.7
179S42.2Very low42.8Very low121 Ų121138.1 Ų138.185%0.84680%0.795SS**  trans-54.6136.3163.9-56.20000111.4
180G47.4Very low42.8Very low72 Ų72141.7 Ų141.774%0.74280%0.802SS**  trans-126.6130.4165.700000110
181P42.5Very low43Very low135 Ų135143.6 Ų143.688%0.87782%0.816SS**  trans-93.3145.2-174.635.9-30.8000111.5
182G45Very low43.5Very low65 Ų65140.1 Ų140.167%0.6781%0.811SS**  trans173.870.5175.200000116.3
183S49.5Very low43.1Very low111 Ų111141.5 Ų141.578%0.77682%0.819SS**  trans46.2103.9134.350.90000120.8
184R49.3Very low43.1Very low245 Ų245143.7 Ų143.793%0.92583%0.826SS**  131.9131.2120.5-77.7175.3100.8-164.95.2114.8
185P42.8Very low43.9Very low132 Ų132144 Ų14486%0.85783%0.826SS**  trans-99.8153.4179.737.5-30.8000113.1
186G39.2Very low44.3Very low74 Ų74147 Ų14776%0.76383%0.832SS**  trans-175.2124.116800000112.2
187P42.2Very low45.3Very low137 Ų137141 Ų14189%0.8982%0.823SS**  trans-100.7151.3-177.237-29.5000112.4
188G41.7Very low45.8Very low69 Ų69135.4 Ų135.471%0.71181%0.814SS**  trans154.4140.2159.900000115.4
189L46.8Very low45.4Very low184 Ų184138.7 Ų138.796%0.96382%0.816SS**  trans111.8112.8154.5-52.6-175.8000117
190R41.3Very low45.4Very low222 Ų222139.4 Ų139.484%0.83882%0.815SS**  trans-68.7147.8-179.4-67.9179.3146-160.3-7114.2
191L45.4Very low44.9Very low178 Ų178140.8 Ų140.893%0.93282%0.82SS**  trans-179.2133.3140.2-128.877.1000104.7
192A44.2Very low44.9Very low100 Ų100139.6 Ų139.683%0.82682%0.821SS**  cis-151.1150.219.200000109
193Q36.4Very low44.6Very low173 Ų173139.9 Ų139.981%0.80882%0.824SS**  trans-114.4126-174.4179168.35.600107.9
194E42.5Very low44.3Very low186 Ų186143.4 Ų143.487%0.86983%0.828SS**  trans-136.4151.3168.3-119.9-143.95000108.9
195P51.8Low44.2Very low107 Ų107137.1 Ų137.170%0.69582%0.817SS**  -104.8138.8-129.51.821.6000113.6
196Q50.5Low44.4Very low189 Ų189138.9 Ų138.988%0.88381%0.814SS**  trans-87.9141.7165.1-83-109.6-50.200111.1
197P61.6Low44.5Very low111 Ų111140.9 Ų140.972%0.72181%0.813SS**  trans-81.6154.2169.732.8-31000111.9
198P46.1Very low44.8Very low108 Ų108142.6 Ų142.670%0.70181%0.812SS**  trans-108.3172.6-156.543.3-35.7000114.4
199F45Very low45.5Very low193 Ų193148.6 Ų148.685%0.84682%0.818SS**  trans74.1127.3166.4-85.1-97.8000115.3
200V42.7Very low45.4Very low136 Ų136145.4 Ų145.482%0.82481%0.809SS**  cis-155.7134.638.5-97.50000109.3
201A37.3Very low45.5Very low101 Ų101141.9 Ų141.984%0.83581%0.806SS**  trans-119.5126.8163.200000108.2
202A40.7Very low45.3Very low110 Ų110140.8 Ų140.891%0.90980%0.797SS**  trans151.8136.1145.300000111.2
203G39.9Very low45.5Very low71 Ų71143.3 Ų143.373%0.73280%0.795SS**  trans105.285.416100000113.7
204Q42.9Very low45.9Very low186 Ų186146.6 Ų146.687%0.86980%0.8SS**  89.8104.195.5-82.7-154-22.100114.5
205V47.2Very low46Very low113 Ų113143.7 Ų143.769%0.68580%0.798SS**  trans40.6110.1133-133.30000118.4
206Q47.2Very low45.8Very low168 Ų168142.5 Ų142.579%0.78581%0.805SS**  167138113.9-90.2162.694.200112.3
207P41.5Very low45.4Very low116 Ų116136.9 Ų136.975%0.75380%0.797SS**  trans-96.2126.2160.933.8-22.9000109.5
208M47.3Very low45Very low174 Ų174137.2 Ų137.286%0.85780%0.799SS**  trans-141.5149.6168.2-96.3-157.1157.400113.5
209F56.4Low45.2Very low194 Ų194141.2 Ų141.285%0.85181%0.808SS**  trans-78.1172-155.9-75.8-99.1000116.1
210P45.5Very low45.3Very low118 Ų118140.8 Ų140.877%0.76681%0.811SS**  trans-93.8134.8178.635.7-27.6000112.6
211D42.4Very low45.8Very low147 Ų147142 Ų14279%0.78681%0.81SS**  trans-153.3107.5170-139.6-104000107.2
212Q42.8Very low46.6Very low156 Ų156144.3 Ų144.373%0.72980%0.803SS**  74.6137.896.3-74.1-97.14.400115.1
213L47.1Very low47Very low152 Ų152144.2 Ų144.280%0.79679%0.793SS**  trans89.391.5162.2-47.6176.4000119.6
214R46.3Very low47.4Very low243 Ų243147.5 Ų147.592%0.91779%0.79SS**  -155.3127.3122.3-146.3160.991.7100.6-4.1113.6
215P43.4Very low47.8Very low125 Ų125147.3 Ų147.381%0.81278%0.781SS**  trans-103.5155.7-176.137.4-31.4000114.2
216G47.8Very low48.1Very low82 Ų82148.9 Ų148.985%0.84578%0.781SS**  trans142.1104.7156.600000117.3
217G43.2Very low48.3Very low70 Ų70146.6 Ų146.672%0.72278%0.781SS**  trans-99.6-149.4160.700000111.3
218P51.9Low48.6Very low118 Ų118146.2 Ų146.277%0.76679%0.787SS**  cis-136.5150.1-29.637.4-21.4000113.1
219H50.6Low48.4Very low192 Ų192141.5 Ų141.589%0.88978%0.783SS**  trans-139131.4165.1-32.5-50000112.4
220M48.3Very low48.1Very low184 Ų184138.3 Ų138.391%0.90678%0.782SS**  trans-80.8179.7-173.4-61178.4-169.100113.9
221M52.4Low48.1Very low163 Ų163138.7 Ų138.780%0.80379%0.785SS**  trans104.2122.6154.6-135.167.3159.200113.8
222Q53Low48.3Very low148 Ų148135.4 Ų135.469%0.69279%0.785SS**  cis-174149.1-6.2-177.3-179.494.900106.7
223P51Low48.4Very low108 Ų108133.5 Ų133.570%0.70178%0.784SS**  trans-103.8139.5177.935.9-26.5000111.9
224Q48.1Very low48.4Very low140 Ų140134.1 Ų134.165%0.65478%0.783SS**  trans-171.9130.1156.2-101.3-28.827.500114.7
225R49.8Very low48.3Very low182 Ų182128.5 Ų128.569%0.68778%0.776SS**  trans78.7137.5133.9-63.6-173.4172.7-144.11.5118.3
226H55.2Low48.3Very low146 Ų146132.8 Ų132.868%0.67678%0.776SS**  cis-169.8165.80.4-98-41.3000108.3
227P50.3Low47.9Very low121 Ų121135 Ų13579%0.78677%0.767SS**  trans-104.6163.2-170.339.4-31.3000114.6
228A47Very low47.8Very low107 Ų107135.9 Ų135.988%0.88477%0.768SS**  trans-164.4135.7156.100000111.6
229G44.8Very low47.3Very low76 Ų76136.1 Ų136.178%0.78477%0.767SS**  trans-99.2-136.5-173.900000116.7
230P49.6Very low47.2Very low127 Ų127135.3 Ų135.383%0.82577%0.766SS**  -119.3-149-123.140.8-24.5000112.6
231P45.2Very low47.1Very low126 Ų126132.9 Ų132.982%0.81876%0.762SS**  cis-116.3171.2-48.329.9-11.3000112.1
232G46.2Very low46.5Very low77 Ų77134.6 Ų134.679%0.79477%0.768SS**  trans-158.2125.7177.200000114.6
233T44.5Very low46.2Very low117 Ų117133.4 Ų133.472%0.71878%0.775SS**  trans-81170.4-169.8350000115
234H48.7Very low45.6Very low164 Ų164134.7 Ų134.776%0.75978%0.777SS**  trans113.488.7152.7-54.9-71.2000118.5
235T43.8Very low45.2Very low125 Ų125138 Ų13877%0.76779%0.789SS**  39.4123.6118.7-22.80000120.8
236R42.6Very low44.8Very low216 Ų216133.8 Ų133.882%0.81579%0.787SS**  122.1137.8119-133.9-160.9172.8-132.6-3.2117.2
237L40.3Very low44.2Very low128 Ų128132.5 Ų132.567%0.6780%0.795SS**  trans84.9104.9166.1-9870.6000117
238A41.7Very low43.8Very low88 Ų88133.4 Ų133.473%0.72779%0.793SS**  73.6135.878.300000111.6
239T41.4Very low43.5Very low124 Ų124135.7 Ų135.776%0.76179%0.789SS**  cis-170.3164.15.6-87.10000105.7
240M46.8Very low44Very low175 Ų175142.3 Ų142.386%0.86279%0.79SS**  trans122.2129.2157.4-69.5174.1172.400112.6
241T47.8Very low43.6Very low132 Ų132141.7 Ų141.781%0.8179%0.787SS**  cis-165.4128.6-11.239.10000105.4
242Q39.5Very low43.7Very low200 Ų200143.9 Ų143.994%0.93579%0.788SS**  trans-110.1130.7167.4-94.1-168.654.600109.5
243S45.7Very low43.5Very low122 Ų122145.2 Ų145.285%0.85379%0.785SS**  trans-93.3130.5179.331.70000111.7
244N38.2Very low43.2Very low136 Ų136147 Ų14773%0.72779%0.79SS**  trans-70.4155-180-76-43.9000115
245F40.7Very low42.9Very low209 Ų209144.4 Ų144.492%0.91779%0.788SS**  -141.796.1128.3-91.3-85.1000106.8
246S40.9Very low42.5Very low93 Ų93142.2 Ų142.265%0.6578%0.783SS**  66.4113.591.8-67.20000112.4
247S42.4Very low42.5Very low119 Ų119140.8 Ų140.883%0.83279%0.79SS**  -175.2152.561.8-69.50000108.4
248N42.5Very low42.6Very low141 Ų141138.2 Ų138.275%0.75479%0.794SS**  cis-170.8103.5-7.1-179.818.1000104.5
249I41.1Very low42.6Very low155 Ų155140.3 Ų140.380%0.79580%0.801SS**  trans-92.8132.1168.7-63.8172.5000106.5
250R53.6Low42.3Very low214 Ų214137.7 Ų137.781%0.80880%0.798SS**  trans-128.9121151.1-77.1-168157.2-137.1-4.3110.3
251P42.7Very low42.4Very low115 Ų115137.7 Ų137.775%0.74780%0.801SS**  trans-81.8137.8166.934.1-26.7000107.7
252M45.7Very low42.3Very low172 Ų172136.6 Ų136.685%0.84780%0.796SS**  trans-127.8107.1169.4-150.2176.7-76.200110.4
253S42.2Very low42.4Very low105 Ų105133.3 Ų133.373%0.73479%0.792SS**  trans-44.7137.8165.835.10000114.1
254N38.8Very low42.2Very low155 Ų155131 Ų13183%0.82979%0.787SS**  trans-60.5139.5169.7-168.255.8000112.2
255P43.4Very low42.1Very low109 Ų109130.9 Ų130.971%0.70880%0.797SS**  trans-130.8129.9146.632-16000112.2
256A34.7Very low42Very low79 Ų79124.1 Ų124.165%0.65379%0.786SS**  trans48.8115.4138.100000120
257L42.1Very low41.9Very low185 Ų185129.2 Ų129.297%0.96980%0.802SS**  151.7121.3124.7-81.2155.9000110.8
258G42.9Very low41.8Very low74 Ų74132.3 Ų132.376%0.76380%0.803SS**  trans144.9104.7163.500000114.6
259P41.6Very low41.4Very low133 Ų133136.5 Ų136.586%0.86481%0.809SS**  trans-92.4141.6-177.334.9-29.1000112.5
260G34.5Very low41.2Very low68 Ų68135.1 Ų135.170%0.70181%0.807SS**  trans101.2112.4152.900000116.7
261L48.9Very low40.2Very low176 Ų176136.6 Ų136.692%0.92181%0.813SS**  174.3150.7108-86154.2000110.7
262P46.5Very low39.7Very low109 Ų109138.5 Ų138.571%0.70881%0.812SS**  trans-99.7-176.1-156.343.9-36.8000113
263P41.3Very low39.3Very low130 Ų130135.9 Ų135.984%0.84481%0.806SS**  trans-82.7134.4-139.936.1-37.7000113.6
264G41.2Very low39Very low73 Ų73135.6 Ų135.675%0.75380%0.804SS**  trans-135.2106.3172.500000109.8G266G264-G266 PolarHBondContact O-N 2.84Å
265S36.5Very low39.1Very low135 Ų135133.3 Ų133.394%0.94480%0.795SS**  trans-57.299.5-179-34.40000111.5
266G38.1Very low38.7Very low66 Ų66131.8 Ų131.868%0.6879%0.787SS**  trans-131.580.6172.500000109.5G264 Q268G264-G266 PolarHBondContact O-N 2.84Å; G266-Q268 PolarHBondContact O-N 2.84Å
267M39.6Very low39Very low200 Ų200132.9 Ų132.999%0.98579%0.79SS**  trans-69.975.2173.4-125.4109.4166.500108.7R269M267-R269 PolarHBondContact O-N 2.9Å
268Q40.3Very low39.1Very low184 Ų184135.2 Ų135.286%0.8679%0.786SS**  trans-75118.3172-158.6171.4-86.500107.8G266 T270G266-Q268 PolarHBondContact O-N 2.84Å; Q268-T270 PolarHBondContact O-N 3.09Å
269R34.3Very low39.2Very low230 Ų230136.4 Ų136.487%0.86877%0.774SS**  trans-47.4104.8-176.4-70.5-179.5-94.4-104.62.8113.2M267 W271M267-R269 PolarHBondContact O-N 2.9Å; R269-W271 PolarHBondContact O-N 3.37Å
270T36.3Very low39.3Very low125 Ų125134.8 Ų134.877%0.76776%0.758SS**  trans-94.180160.3-71.80000108.7Q268Q268-T270 PolarHBondContact O-N 3.09Å
271W33.2Very low40.2Very low246 Ų246135.6 Ų135.693%0.93275%0.746SS**  trans-122.814.5161.7-82.2108.2000111.8R269R269-W271 PolarHBondContact O-N 3.37Å
272Q32Very low40.2Very low154 Ų154136.2 Ų136.272%0.7274%0.744SS**  trans-98.7154.1171.7-60.3-152.37.800109.4
273T36.8Very low40.2Very low117 Ų117136.9 Ų136.972%0.71874%0.742SS**SBendtrans85.964.2170.486.90000116.9
274S35.3Very low40.7Very low99 Ų99133.6 Ų133.669%0.69272%0.717SS**SBendtrans-168.3-27.3145-84.20000113.4S277S274-S277 PolarHBondContact O-OG 3.39Å
275V41Very low41.1Very low107 Ų107135.4 Ų135.465%0.64872%0.715SS**SBendtrans-95.9-33.6-179.5-139.40000112.2S277 R278 L279V275-S277 PolarHBondContact O-N 2.84Å; V275-R278 PolarHBondContact O-N 3.06Å; V275-L279 HydrophobicContact CG1-CD1 4.32Å; V275-L279 PolarHBondContact O-N 3.46Å
276S36.6Very low41.6Very low78 Ų78136.2 Ų136.255%0.54570%0.699SS.*THydrogen-bonded Turntrans-68.5-14.1178.4-56.10000115L279S276-L279 VanDerWaalsContact O-O 3.04Å
277S39.2Very low42Very low101 Ų101134.6 Ų134.671%0.70668%0.679SS**THydrogen-bonded Turntrans-88.6-16.8176.9380000113.1S274 V275S274-S277 PolarHBondContact O-OG 3.39Å; V275-S277 PolarHBondContact O-N 2.84Å
278R45.2Very low42.3Very low235 Ų235130.1 Ų130.189%0.88766%0.663SS**THydrogen-bonded Turntrans-101.3-22.9174.9-77.2-166.7175.1-149.40.4113.7V275V275-R278 PolarHBondContact O-N 3.06Å
279L45.3Very low42.6Very low99 Ų99124.7 Ų124.752%0.51865%0.645SS.*SBendtrans-108.6102.4171.7-62.6164000106.1V275 S276 I281V275-L279 HydrophobicContact CG1-CD1 4.32Å; V275-L279 PolarHBondContact O-N 3.46Å; S276-L279 VanDerWaalsContact O-O 3.04Å; L279-I281 HydrophobicContact CB-CD1 3.84Å; L279-I281 HydrophobicContact CB-CG1 3.62Å; L279-I281 HydrophobicContact CD1-CD1 4.43Å; L279-I281 WeakPolarHBondContact O-CG1 3Å; L279-I281 PolarHBondContact O-N 2.87Å
280N42.7Very low43.3Very low98 Ų98117.2 Ų117.252%0.52462%0.617SS.*  trans-7067.9169.7-172.9-3.3000108.6Q282 N283N280-Q282 PolarHBondContact O-N 2.93Å; N280-N283 PolarHBondContact ND2-ND2 2.75Å; N280-N283 PolarHBondContact O-N 3.4Å
281I54Low43.9Very low86 Ų86115.9 Ų115.944%0.44161%0.613SS.*G310 helixtrans-61.9-24.4-176.4-66.3160.6000109.9L279 N283 L284 A287L279-I281 HydrophobicContact CB-CD1 3.84Å; L279-I281 HydrophobicContact CB-CG1 3.62Å; L279-I281 HydrophobicContact CD1-CD1 4.43Å; L279-I281 WeakPolarHBondContact O-CG1 3Å; L279-I281 PolarHBondContact O-N 2.87Å; I281-N283 PolarHBondContact O-N 3.17Å; I281-L284 PolarHBondContact O-N 3.38Å; I281-A287 HydrophobicContact CG2-CB 4.21Å; I281-A287 WeakPolarHBondContact O-CB 3.43Å
282Q49.6Very low44.5Very low188 Ų188110 Ų11088%0.87960%0.6SS**G310 helixtrans-69.6-13.9175.4-63.6-175.76.200113.9N280N280-Q282 PolarHBondContact O-N 2.93Å
283N46.4Very low45Very low124 Ų124105 Ų10566%0.66358%0.582SS**G310 helixtrans-101.20.7-180-110.4-88000114.6N280 I281 P285N280-N283 PolarHBondContact ND2-ND2 2.75Å; N280-N283 PolarHBondContact O-N 3.4Å; I281-N283 PolarHBondContact O-N 3.17Å; N283-P285 WeakPolarHBondContact O-CD 3.5Å
284L50.4Low45.5Very low61 Ų61104.5 Ų104.532%0.31958%0.575SS.*  trans-78.4124.3173.8-80.992.9000109I34 I281 Y286 A287I34-L284 HydrophobicContact CB-CD2 4.43Å; I34-L284 WeakPolarHBondContact O-CD2 3.46Å; I281-L284 PolarHBondContact O-N 3.38Å; L284-Y286 PolarHBondContact O-N 2.8Å; L284-A287 HydrophobicContact CB-CB 3.87Å; L284-A287 PolarHBondContact O-N 3.28Å
285P50.9Low46Very low111 Ų111104.7 Ų104.772%0.72157%0.569SS**THydrogen-bonded Turntrans-60.3-13177.723.1-32.1000113.2N283N283-P285 WeakPolarHBondContact O-CD 3.5Å
286Y46.9Very low46.3Very low152 Ų152104.6 Ų104.660%0.59657%0.565SS**THydrogen-bonded Turntrans-101.3-13175.7-76.2-87.3000114.4L284 T288 S289 Y290L284-Y286 PolarHBondContact O-N 2.8Å; Y286-T288 VanDerWaalsContact C-N 3.3Å; Y286-T288 PolarHBondContact O-N 3.34Å; Y286-S289 WeakPolarHBondContact O-CB 3.2Å; Y286-S289 PolarHBondContact O-N 3.02Å; Y286-Y290 WeakPolarHBondContact O-CD2 3.34Å
287A45.6Very low46.8Very low32 Ų32106.2 Ų106.226%0.26457%0.566SS.*THydrogen-bonded Turntrans-67.3-31.8-177.600000112.7I281 L284 S289I281-A287 HydrophobicContact CG2-CB 4.21Å; I281-A287 WeakPolarHBondContact O-CB 3.43Å; L284-A287 HydrophobicContact CB-CB 3.87Å; L284-A287 PolarHBondContact O-N 3.28Å; A287-S289 VanDerWaalsContact C-N 3.31Å
288T47Very low47.3Very low105 Ų105106.5 Ų106.564%0.64456%0.557SS**G310 helixtrans-72.4-23.7171.631.60000112.9Y286 Y290 S291Y286-T288 VanDerWaalsContact C-N 3.3Å; Y286-T288 PolarHBondContact O-N 3.34Å; T288-Y290 VanDerWaalsContact C-N 3.25Å; T288-Y290 PolarHBondContact O-N 3.09Å; T288-S291 PolarHBondContact O-N 2.77Å
289S46.2Very low47.5Very low71 Ų7197.9 Ų97.950%0.49754%0.535SS..G310 helixtrans-72.3-19.4-179.3-162.40000113.1Y286 A287Y286-S289 WeakPolarHBondContact O-CB 3.2Å; Y286-S289 PolarHBondContact O-N 3.02Å; A287-S289 VanDerWaalsContact C-N 3.31Å
290Y49.3Very low47.6Very low72 Ų7297.9 Ų97.928%0.28254%0.536SS..G310 helixtrans-97.3-10.9178.6-67.7-76.6000114.1C63 Y286 T288 N292C63-Y290 WeakPolarHBondContact SG-CE1 3.16Å; C63-Y290 VanDerWaalsContact SG-CZ 3.57Å; C63-Y290 PolarHBondContact SG-OH 3.33Å; Y286-Y290 WeakPolarHBondContact O-CD2 3.34Å; T288-Y290 VanDerWaalsContact C-N 3.25Å; T288-Y290 PolarHBondContact O-N 3.09Å; Y290-N292 PolarHBondContact O-N 3.46Å
291S47.9Very low48Very low97 Ų9797.8 Ų97.868%0.67854%0.537SS*.THydrogen-bonded Turntrans-74.6-12.1171.2-78.10000113.2T288T288-S291 PolarHBondContact O-N 2.77Å
292N45.4Very low47.5Very low123 Ų12398.8 Ų98.866%0.65855%0.545SS*.THydrogen-bonded Turntrans-11723.9177.2-63.6-23.7000112.4Y290Y290-N292 PolarHBondContact O-N 3.46Å
293C44.3Very low47.3Very low50 Ų5090.7 Ų90.734%0.33852%0.515SS..  trans-94.90157.2-69.40000108C67 W70C67-C293 VanDerWaalsContact SG-SG 3.68Å; W70-C293 PolarHBondContact NE1-O 3.34Å

Retrieved 293 of 293 residues in 281.1 ms (Link to these results)