A0A061I2M1_CRIGR Loading...

EF-hand calcium binding domain 10

AlphaFold DB , UniProt , Accession A0A061I2M1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 132 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
1M48.2Very low74.3Confident243 Ų243124 Ų124100%1.19766%0.655SS**  0113.70-77.8174.4158.600107.1
2N50.8Low75.9Confident144 Ų144123.9 Ų123.977%0.7765%0.645SS**  trans-70.6128.4-164.4-68.5-13.1000111.8E4N2-E4 PolarHBondContact O-N 3.41Å
3A57Low77.3Confident77 Ų77122.2 Ų122.264%0.63663%0.632SS**THydrogen-bonded Turntrans-67-16.8-177.100000114.2N6A3-N6 WeakPolarHBondContact O-CB 2.98Å; A3-N6 PolarHBondContact O-N 2.99Å
4E54.5Low78.5Confident160 Ų160123.3 Ų123.375%0.74863%0.626SS**Hα-helixtrans-72.7-40.9179.6-71.1178.1158.500112.6N2 N6 R7 E8N2-E4 PolarHBondContact O-N 3.41Å; E4-N6 PolarHBondContact O-N 2.88Å; E4-N6 VanDerWaalsContact O-N 3.12Å; E4-R7 PolarHBondContact O-N 3.03Å; E4-E8 PolarHBondContact O-N 3.23Å
5G62Low79.5Confident49 Ų49119.5 Ų119.551%0.50561%0.607SS.*Hα-helixtrans-64.5-17.1174.800000113.5L9G5-L9 VanDerWaalsContact O-CB 3.25Å; G5-L9 WeakPolarHBondContact O-CB 3.34Å; G5-L9 PolarHBondContact O-N 3.25Å
6N82.4Confident80.1Confident89 Ų89119.3 Ų119.348%0.47660%0.603SS.*Hα-helixtrans-80.5-38.8177.3-161.1-15.5000111.7A3 E4 Q10A3-N6 WeakPolarHBondContact O-CB 2.98Å; A3-N6 PolarHBondContact O-N 2.99Å; E4-N6 PolarHBondContact O-N 2.88Å; E4-N6 VanDerWaalsContact O-N 3.12Å; N6-Q10 WeakPolarHBondContact O-CB 3.37Å; N6-Q10 WeakPolarHBondContact O-CG 3.5Å; N6-Q10 PolarHBondContact O-N 2.7Å; N6-Q10 PolarHBondContact OD1-NE2 3.21Å
7R90.5Very high80.6Confident197 Ų197122.1 Ų122.174%0.74361%0.61SS**Hα-helixtrans-73.2-42.2-179.2-70.6-174.1-174.1171.52.8112.9E4 L9 Q10 A11E4-R7 PolarHBondContact O-N 3.03Å; R7-L9 VanDerWaalsContact C-N 3.34Å; R7-Q10 PolarHBondContact O-N 2.87Å; R7-A11 WeakPolarHBondContact O-CB 3.45Å; R7-A11 PolarHBondContact O-N 3.23Å
8E91.8Very high80.9Confident154 Ų154120.6 Ų120.672%0.7260%0.601SS**Hα-helixtrans-64-42.1176.8-70.7-174.1164.700111.4E4 A11 K12E4-E8 PolarHBondContact O-N 3.23Å; E8-A11 PolarHBondContact O-N 3.41Å; E8-K12 WeakPolarHBondContact O-CB 3.31Å; E8-K12 PolarHBondContact O-N 3.42Å
9L93.1Very high81.1Confident91 Ų91118.5 Ų118.548%0.47659%0.585SS.*Hα-helixtrans-62.8-47.9175.7-177.961.6000111.5G5 R7 A11 K12 E13G5-L9 VanDerWaalsContact O-CB 3.25Å; G5-L9 WeakPolarHBondContact O-CB 3.34Å; G5-L9 PolarHBondContact O-N 3.25Å; R7-L9 VanDerWaalsContact C-N 3.34Å; L9-A11 VanDerWaalsContact C-N 3.3Å; L9-A11 PolarHBondContact O-N 3.1Å; L9-K12 PolarHBondContact O-N 3.44Å; L9-K12 VanDerWaalsContact O-N 3.16Å; L9-E13 HydrophobicContact CD1-CG 4.3Å; L9-E13 HydrophobicContact CG-CG 4.44Å; L9-E13 WeakPolarHBondContact O-CB 3.49Å; L9-E13 WeakPolarHBondContact O-CG 3.39Å; L9-E13 PolarHBondContact O-N 3.4Å
10Q93.5Very high81.6Confident107 Ų107114.9 Ų114.950%0.557%0.568SS.*Hα-helixtrans-58.3-41.5175.8-76.217316.400112.5N6 R7 Y14N6-Q10 WeakPolarHBondContact O-CB 3.37Å; N6-Q10 WeakPolarHBondContact O-CG 3.5Å; N6-Q10 PolarHBondContact O-N 2.7Å; N6-Q10 PolarHBondContact OD1-NE2 3.21Å; R7-Q10 PolarHBondContact O-N 2.87Å; Q10-Y14 WeakPolarHBondContact O-CB 3.49Å; Q10-Y14 PolarHBondContact O-N 3.34Å
11A93.8Very high82Confident53 Ų53114 Ų11444%0.43856%0.563SS.*Hα-helixtrans-64.3-44.117700000111.2R7 E8 L9 Y14 L15R7-A11 WeakPolarHBondContact O-CB 3.45Å; R7-A11 PolarHBondContact O-N 3.23Å; E8-A11 PolarHBondContact O-N 3.41Å; L9-A11 VanDerWaalsContact C-N 3.3Å; L9-A11 PolarHBondContact O-N 3.1Å; A11-Y14 PolarHBondContact O-N 2.94Å; A11-L15 VanDerWaalsContact O-CG 3.29Å; A11-L15 WeakPolarHBondContact O-CG 3.3Å; A11-L15 PolarHBondContact O-N 3.23Å
12K92.8Very high83.6Confident123 Ų123105.9 Ų105.954%0.53552%0.522SS..Hα-helixtrans-62.1-48.1177-175177.3172.6-177.70111.6E8 L9 Y14 L15 E16E8-K12 WeakPolarHBondContact O-CB 3.31Å; E8-K12 PolarHBondContact O-N 3.42Å; L9-K12 PolarHBondContact O-N 3.44Å; L9-K12 VanDerWaalsContact O-N 3.16Å; K12-Y14 VanDerWaalsContact C-N 3.29Å; K12-Y14 PolarHBondContact O-N 3.33Å; K12-L15 PolarHBondContact O-N 3Å; K12-E16 WeakPolarHBondContact CE-OE1 3.36Å; K12-E16 IonicContact NZ-OE1 2.99Å; K12-E16 WeakPolarHBondContact O-CG 3.49Å; K12-E16 PolarHBondContact O-N 3.36Å
13E94.4Very high85.2Confident102 Ų102102.1 Ų102.148%0.47750%0.502SS..Hα-helixtrans-60-39.6176.9-73.4176.3172.400111.8L9 E16 K17L9-E13 HydrophobicContact CD1-CG 4.3Å; L9-E13 HydrophobicContact CG-CG 4.44Å; L9-E13 WeakPolarHBondContact O-CB 3.49Å; L9-E13 WeakPolarHBondContact O-CG 3.39Å; L9-E13 PolarHBondContact O-N 3.4Å; E13-E16 PolarHBondContact O-N 3.03Å; E13-K17 WeakPolarHBondContact O-CB 3.43Å; E13-K17 PolarHBondContact O-N 3.43Å
14Y94.1Very high86.8Confident137 Ų137102.3 Ų102.354%0.53749%0.492SS..Hα-helixtrans-63.8-45.9175.5-175.7-89.9000111.7Q10 A11 K12 E16 H18 I20Q10-Y14 WeakPolarHBondContact O-CB 3.49Å; Q10-Y14 PolarHBondContact O-N 3.34Å; A11-Y14 PolarHBondContact O-N 2.94Å; K12-Y14 VanDerWaalsContact C-N 3.29Å; K12-Y14 PolarHBondContact O-N 3.33Å; Y14-E16 PolarHBondContact O-N 3.08Å; Y14-H18 AromaticContact CD2-CD2 3.58Å; Y14-H18 AromaticContact CD2-NE2 3.87Å; Y14-H18 AromaticContact CE2-CD2 3.48Å; Y14-H18 VanDerWaalsContact CE2-CD2 3.48Å; Y14-H18 WeakPolarHBondContact CE2-CD2 3.32Å; Y14-H18 AromaticContact CE2-NE2 3.59Å; Y14-H18 AromaticContact CG-CD2 3.95Å; Y14-H18 AromaticContact CZ-CD2 3.78Å; Y14-H18 WeakPolarHBondContact O-CB 3.24Å; Y14-H18 PolarHBondContact O-CD2 2.92Å; Y14-H18 VanDerWaalsContact O-CD2 3.25Å; Y14-H18 PolarHBondContact O-N 3.41Å; Y14-H18 VanDerWaalsContact O-N 3.07Å; Y14-I20 HydrophobicContact CD1-CD1 3.79Å; Y14-I20 HydrophobicContact CE1-CD1 3.47Å; Y14-I20 VanDerWaalsContact CE1-CD1 3.47Å
15L92.9Very high88.2Confident66 Ų6699.2 Ų99.235%0.34648%0.48SS..Hα-helixtrans-61.2-43.2177.6-69.4172.1000111.9A11 K12 R19 I20A11-L15 VanDerWaalsContact O-CG 3.29Å; A11-L15 WeakPolarHBondContact O-CG 3.3Å; A11-L15 PolarHBondContact O-N 3.23Å; K12-L15 PolarHBondContact O-N 3Å; L15-R19 WeakPolarHBondContact O-CA 3.46Å; L15-R19 PolarHBondContact O-N 2.96Å; L15-I20 HydrophobicContact CD2-CB 3.77Å; L15-I20 HydrophobicContact CD2-CD1 3.91Å; L15-I20 HydrophobicContact CD2-CG1 4.4Å; L15-I20 HydrophobicContact CD2-CG2 3.71Å; L15-I20 PolarHBondContact O-N 2.92Å
16E89.6Confident89.1Confident116 Ų11699.4 Ų99.454%0.54247%0.468SS..Hα-helixtrans-68.1-51.5178.6-73.1176.9177.200111.5K12 E13 Y14 H18 R19K12-E16 WeakPolarHBondContact CE-OE1 3.36Å; K12-E16 IonicContact NZ-OE1 2.99Å; K12-E16 WeakPolarHBondContact O-CG 3.49Å; K12-E16 PolarHBondContact O-N 3.36Å; E13-E16 PolarHBondContact O-N 3.03Å; Y14-E16 PolarHBondContact O-N 3.08Å; E16-H18 PolarHBondContact O-N 2.87Å; E16-R19 PolarHBondContact O-N 3.26Å
17K89.5Confident89.4Confident167 Ų16795.9 Ų95.973%0.72645%0.449SS*.Hα-helixtrans-56.7-37.8179.9179.6179.9178.9-179.60112.5E13E13-K17 WeakPolarHBondContact O-CB 3.43Å; E13-K17 PolarHBondContact O-N 3.43Å
18H86.1Confident89.3Confident96 Ų9689.9 Ų89.944%0.44444%0.435SS..THydrogen-bonded Turntrans-98.45.6-178-67.1-74.1000113.5Y14 E16 I20Y14-H18 AromaticContact CD2-CD2 3.58Å; Y14-H18 AromaticContact CD2-NE2 3.87Å; Y14-H18 AromaticContact CE2-CD2 3.48Å; Y14-H18 VanDerWaalsContact CE2-CD2 3.48Å; Y14-H18 WeakPolarHBondContact CE2-CD2 3.32Å; Y14-H18 AromaticContact CE2-NE2 3.59Å; Y14-H18 AromaticContact CG-CD2 3.95Å; Y14-H18 AromaticContact CZ-CD2 3.78Å; Y14-H18 WeakPolarHBondContact O-CB 3.24Å; Y14-H18 PolarHBondContact O-CD2 2.92Å; Y14-H18 VanDerWaalsContact O-CD2 3.25Å; Y14-H18 PolarHBondContact O-N 3.41Å; Y14-H18 VanDerWaalsContact O-N 3.07Å; E16-H18 PolarHBondContact O-N 2.87Å; H18-I20 HydrophobicContact CB-CD1 3.97Å; H18-I20 HydrophobicContact CB-CG1 3.85Å; H18-I20 PolarHBondContact O-N 2.91Å; H18-I20 VanDerWaalsContact O-N 3.12Å
19R84.5Confident88.9Confident80 Ų8085.6 Ų85.630%0.30242%0.422SS..THydrogen-bonded Turntrans49.738.8177.1-56.1-172.170.5-173.5-4.2113.3L15 E16 M21 E22 L23 L131 F132L15-R19 WeakPolarHBondContact O-CA 3.46Å; L15-R19 PolarHBondContact O-N 2.96Å; E16-R19 PolarHBondContact O-N 3.26Å; R19-M21 VanDerWaalsContact C-N 3.3Å; R19-M21 PolarHBondContact O-N 3.47Å; R19-E22 WeakPolarHBondContact CA-OE2 3.34Å; R19-E22 HydrophobicContact CB-CB 4.46Å; R19-E22 IonicContact CZ-OE1 3.95Å; R19-E22 IonicContact NE-OE1 2.88Å; R19-E22 PolarHBondContact NE-OE1 3.39Å; R19-E22 IonicContact NH2-OE1 3.16Å; R19-E22 PolarHBondContact O-N 3.2Å; R19-L23 PolarHBondContact O-N 2.94Å; R19-L23 VanDerWaalsContact O-N 3.09Å; R19-L131 PolarHBondContact NH1-O 2.87Å; R19-F132 VanDerWaalsContact NH1-CG 3.32Å
20I90.4Very high88.5Confident47 Ų4781.4 Ų81.424%0.24140%0.4CS..Hα-helixtrans-67.9-35.1-171.6-70.2173000110.6Y14 L15 H18 L23 L24Y14-I20 HydrophobicContact CD1-CD1 3.79Å; Y14-I20 HydrophobicContact CE1-CD1 3.47Å; Y14-I20 VanDerWaalsContact CE1-CD1 3.47Å; L15-I20 HydrophobicContact CD2-CB 3.77Å; L15-I20 HydrophobicContact CD2-CD1 3.91Å; L15-I20 HydrophobicContact CD2-CG1 4.4Å; L15-I20 HydrophobicContact CD2-CG2 3.71Å; L15-I20 PolarHBondContact O-N 2.92Å; H18-I20 HydrophobicContact CB-CD1 3.97Å; H18-I20 HydrophobicContact CB-CG1 3.85Å; H18-I20 PolarHBondContact O-N 2.91Å; H18-I20 VanDerWaalsContact O-N 3.12Å; I20-L23 PolarHBondContact O-N 3.45Å; I20-L24 HydrophobicContact CG2-CD1 4.13Å; I20-L24 HydrophobicContact CG2-CG 4.48Å; I20-L24 WeakPolarHBondContact O-CG 3.4Å; I20-L24 PolarHBondContact O-N 3.43Å
21M89.1Confident88.3Confident95 Ų9578.4 Ų78.447%0.46839%0.387SS..Hα-helixtrans-68-39.2177.9-69-54.1-58.300111.7R19 L24 N25R19-M21 VanDerWaalsContact C-N 3.3Å; R19-M21 PolarHBondContact O-N 3.47Å; M21-L24 PolarHBondContact O-N 3.25Å; M21-L24 HydrophobicContact SD-CD1 4.32Å; M21-N25 WeakPolarHBondContact O-CB 3.48Å; M21-N25 VanDerWaalsContact O-CG 3.25Å; M21-N25 PolarHBondContact O-N 3.45Å; M21-N25 PolarHBondContact O-ND2 3.32Å
22E82.6Confident88Confident73 Ų7382.1 Ų82.134%0.34140%0.399SS..Hα-helixtrans-64.8-43175.1-60.998.5121.400111.5R19 L24 N25 Q26R19-E22 WeakPolarHBondContact CA-OE2 3.34Å; R19-E22 HydrophobicContact CB-CB 4.46Å; R19-E22 IonicContact CZ-OE1 3.95Å; R19-E22 IonicContact NE-OE1 2.88Å; R19-E22 PolarHBondContact NE-OE1 3.39Å; R19-E22 IonicContact NH2-OE1 3.16Å; R19-E22 PolarHBondContact O-N 3.2Å; E22-L24 PolarHBondContact O-N 3.01Å; E22-N25 PolarHBondContact O-N 2.93Å; E22-Q26 WeakPolarHBondContact O-CB 3.48Å; E22-Q26 PolarHBondContact O-N 2.74Å
23L85.2Confident87.3Confident65 Ų6583.7 Ų83.734%0.3441%0.406SS..Hα-helixtrans-58.1-48.8173.6177.463000110.9R19 I20 N25 Q26 L27 L47 L50R19-L23 PolarHBondContact O-N 2.94Å; R19-L23 VanDerWaalsContact O-N 3.09Å; I20-L23 PolarHBondContact O-N 3.45Å; L23-N25 PolarHBondContact O-N 3.21Å; L23-Q26 PolarHBondContact O-N 3.12Å; L23-L27 HydrophobicContact CD1-CD1 4.31Å; L23-L27 HydrophobicContact CD1-CD2 4.47Å; L23-L27 HydrophobicContact CD1-CG 4.17Å; L23-L27 HydrophobicContact CG-CD1 4.12Å; L23-L27 HydrophobicContact CG-CG 4.39Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.4Å; L23-L47 HydrophobicContact CD1-CD2 4.26Å; L23-L47 HydrophobicContact CD2-CD2 4.18Å; L23-L50 HydrophobicContact CD1-CD1 3.92Å
24L89.8Confident86.9Confident82 Ų8282 Ų8243%0.42940%0.402SS..Hα-helixtrans-61.3-43.4178.6-74.1173.3000112.3I20 M21 E22 Q26 L27 T28I20-L24 HydrophobicContact CG2-CD1 4.13Å; I20-L24 HydrophobicContact CG2-CG 4.48Å; I20-L24 WeakPolarHBondContact O-CG 3.4Å; I20-L24 PolarHBondContact O-N 3.43Å; M21-L24 PolarHBondContact O-N 3.25Å; M21-L24 HydrophobicContact SD-CD1 4.32Å; E22-L24 PolarHBondContact O-N 3.01Å; L24-Q26 VanDerWaalsContact C-N 3.32Å; L24-Q26 PolarHBondContact O-N 2.92Å; L24-L27 PolarHBondContact O-N 3.24Å; L24-T28 WeakPolarHBondContact O-CB 3.49Å; L24-T28 WeakPolarHBondContact O-CG2 3.24Å; L24-T28 PolarHBondContact O-N 3.47Å; L24-T28 PolarHBondContact O-OG1 3.02Å
25N84.5Confident86.8Confident94 Ų9485.1 Ų85.150%0.50341%0.413SS..Hα-helixtrans-59.2-44.5175.2-74.8-23.3000111.1M21 E22 L23 T28 S29M21-N25 WeakPolarHBondContact O-CB 3.48Å; M21-N25 VanDerWaalsContact O-CG 3.25Å; M21-N25 PolarHBondContact O-N 3.45Å; M21-N25 PolarHBondContact O-ND2 3.32Å; E22-N25 PolarHBondContact O-N 2.93Å; L23-N25 PolarHBondContact O-N 3.21Å; N25-T28 WeakPolarHBondContact CA-OG1 3.39Å; N25-T28 PolarHBondContact O-N 2.83Å; N25-T28 PolarHBondContact O-OG1 3.03Å; N25-S29 PolarHBondContact O-N 3.31Å; N25-S29 PolarHBondContact O-OG 2.94Å; N25-S29 VanDerWaalsContact O-OG 3.04Å
26Q81.4Confident86.8Confident54 Ų5483.2 Ų83.225%0.25241%0.405SS..Hα-helixtrans-65.1-46.7178.6-162-176.61.400112.3E22 L23 L24 T28 S29 F30E22-Q26 WeakPolarHBondContact O-CB 3.48Å; E22-Q26 PolarHBondContact O-N 2.74Å; L23-Q26 PolarHBondContact O-N 3.12Å; L24-Q26 VanDerWaalsContact C-N 3.32Å; L24-Q26 PolarHBondContact O-N 2.92Å; Q26-T28 VanDerWaalsContact C-N 3.29Å; Q26-T28 PolarHBondContact O-N 3.43Å; Q26-S29 WeakPolarHBondContact O-CB 3.07Å; Q26-S29 PolarHBondContact O-N 3.29Å; Q26-F30 HydrophobicContact CG-CD2 4.12Å; Q26-F30 HydrophobicContact CG-CE2 3.58Å; Q26-F30 HydrophobicContact CG-CZ 4.3Å; Q26-F30 WeakPolarHBondContact O-CD2 3.47Å; Q26-F30 PolarHBondContact O-N 2.85Å
27L88.6Confident87.1Confident14 Ų1488 Ų887%0.07342%0.423CS..Hα-helixtrans-58.1-42.1177.1-69.2177.7000111.8L23 L24 F30 L31 L43 L46 L47L23-L27 HydrophobicContact CD1-CD1 4.31Å; L23-L27 HydrophobicContact CD1-CD2 4.47Å; L23-L27 HydrophobicContact CD1-CG 4.17Å; L23-L27 HydrophobicContact CG-CD1 4.12Å; L23-L27 HydrophobicContact CG-CG 4.39Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.4Å; L24-L27 PolarHBondContact O-N 3.24Å; L27-F30 PolarHBondContact O-N 3.12Å; L27-L31 PolarHBondContact O-N 3.48Å; L27-L43 HydrophobicContact CB-CD2 3.84Å; L27-L43 HydrophobicContact CD2-CD2 4Å; L27-L43 HydrophobicContact CG-CD2 4.35Å; L27-L46 HydrophobicContact CD2-CD2 3.44Å; L27-L46 VanDerWaalsContact CD2-CD2 3.44Å; L27-L46 HydrophobicContact CD2-CG 4Å; L27-L47 HydrophobicContact CD1-CD1 4.43Å; L27-L47 HydrophobicContact CD1-CD2 4.01Å; L27-L47 HydrophobicContact CD1-CG 4.32Å; L27-L47 HydrophobicContact CD2-CD2 4.25Å; L27-L47 HydrophobicContact CD2-CG 4.26Å
28T87.4Confident87.5Confident71 Ų7185.8 Ų85.844%0.43641%0.414SS..Hα-helixtrans-69.9-40.2178.351.30000112.2L24 N25 Q26 F30 L31 L32L24-T28 WeakPolarHBondContact O-CB 3.49Å; L24-T28 WeakPolarHBondContact O-CG2 3.24Å; L24-T28 PolarHBondContact O-N 3.47Å; L24-T28 PolarHBondContact O-OG1 3.02Å; N25-T28 WeakPolarHBondContact CA-OG1 3.39Å; N25-T28 PolarHBondContact O-N 2.83Å; N25-T28 PolarHBondContact O-OG1 3.03Å; Q26-T28 VanDerWaalsContact C-N 3.29Å; Q26-T28 PolarHBondContact O-N 3.43Å; T28-F30 VanDerWaalsContact C-N 3.31Å; T28-F30 PolarHBondContact O-N 3.25Å; T28-L31 PolarHBondContact O-N 2.94Å; T28-L32 WeakPolarHBondContact O-CG 3.37Å; T28-L32 PolarHBondContact O-N 3.34Å; T28-L32 VanDerWaalsContact O-N 3.08Å
29S84.2Confident87.9Confident64 Ų6484.2 Ų84.245%0.44841%0.412SS..Hα-helixtrans-56.6-43.6171.1-64.40000112.2N25 Q26 L31 L32 F33N25-S29 PolarHBondContact O-N 3.31Å; N25-S29 PolarHBondContact O-OG 2.94Å; N25-S29 VanDerWaalsContact O-OG 3.04Å; Q26-S29 WeakPolarHBondContact O-CB 3.07Å; Q26-S29 PolarHBondContact O-N 3.29Å; S29-L31 VanDerWaalsContact C-N 3.33Å; S29-L31 PolarHBondContact O-N 3.37Å; S29-L32 PolarHBondContact O-N 2.95Å; S29-F33 PolarHBondContact O-N 3.48Å
30F84.1Confident88.5Confident3 Ų389.8 Ų89.81%0.01343%0.433CS..Hα-helixtrans-62.4-38.6176.7-75.2-59000113Q26 L27 T28 F33 V34 Y42 L46 F62 F63Q26-F30 HydrophobicContact CG-CD2 4.12Å; Q26-F30 HydrophobicContact CG-CE2 3.58Å; Q26-F30 HydrophobicContact CG-CZ 4.3Å; Q26-F30 WeakPolarHBondContact O-CD2 3.47Å; Q26-F30 PolarHBondContact O-N 2.85Å; L27-F30 PolarHBondContact O-N 3.12Å; T28-F30 VanDerWaalsContact C-N 3.31Å; T28-F30 PolarHBondContact O-N 3.25Å; F30-F33 PolarHBondContact O-N 3.07Å; F30-V34 WeakPolarHBondContact O-CB 3.31Å; F30-V34 WeakPolarHBondContact O-CG2 3.34Å; F30-V34 PolarHBondContact O-N 3.21Å; F30-Y42 HydrophobicContact CB-CE1 4.09Å; F30-L46 HydrophobicContact CB-CD2 4.13Å; F30-L46 HydrophobicContact CD2-CD1 4.45Å; F30-L46 HydrophobicContact CD2-CD2 3.41Å; F30-L46 VanDerWaalsContact CD2-CD2 3.41Å; F30-L46 HydrophobicContact CD2-CG 4.5Å; F30-L46 HydrophobicContact CE2-CD1 4.32Å; F30-L46 HydrophobicContact CE2-CD2 3.98Å; F30-L46 HydrophobicContact CG-CD2 3.97Å; F30-F62 AromaticContact CD1-CD1 3.76Å; F30-F62 HydrophobicContact CD1-CD1 3.76Å; F30-F62 HydrophobicContact CD1-CE1 4.25Å; F30-F62 HydrophobicContact CE1-CB 3.8Å; F30-F62 AromaticContact CE1-CD1 3.3Å; F30-F62 HydrophobicContact CE1-CD1 3.3Å; F30-F62 HydrophobicContact CE1-CE1 4.21Å; F30-F62 AromaticContact CE1-CG 3.81Å; F30-F62 HydrophobicContact CE1-CG 3.81Å; F30-F62 HydrophobicContact CZ-CB 3.57Å; F30-F62 AromaticContact CZ-CD1 3.82Å; F30-F62 HydrophobicContact CZ-CD1 3.82Å; F30-F62 AromaticContact CZ-CG 3.85Å; F30-F62 HydrophobicContact CZ-CG 3.85Å; F30-F63 AromaticContact CD1-CE2 3.89Å; F30-F63 HydrophobicContact CD1-CE2 3.89Å; F30-F63 AromaticContact CE1-CD2 3.49Å; F30-F63 HydrophobicContact CE1-CD2 3.49Å; F30-F63 VanDerWaalsContact CE1-CD2 3.49Å; F30-F63 AromaticContact CE1-CE2 3.14Å; F30-F63 HydrophobicContact CE1-CE2 3.14Å; F30-F63 HydrophobicContact CE1-CZ 4.09Å; F30-F63 AromaticContact CZ-CD2 3.74Å; F30-F63 HydrophobicContact CZ-CD2 3.74Å; F30-F63 AromaticContact CZ-CE2 3.63Å; F30-F63 HydrophobicContact CZ-CE2 3.63Å
31L88.9Confident88.7Confident45 Ų4592.9 Ų92.924%0.23645%0.447CS..Hα-helixtrans-64.9-40.7176-73.6-178000112.4L27 T28 S29 F33 R35 P36 P39 Y42 L43L27-L31 PolarHBondContact O-N 3.48Å; T28-L31 PolarHBondContact O-N 2.94Å; S29-L31 VanDerWaalsContact C-N 3.33Å; S29-L31 PolarHBondContact O-N 3.37Å; L31-F33 VanDerWaalsContact C-N 3.33Å; L31-R35 WeakPolarHBondContact O-CA 3.31Å; L31-R35 PolarHBondContact O-N 3.35Å; L31-P36 HydrophobicContact CD2-CG 3.86Å; L31-P39 HydrophobicContact CD2-CB 3.89Å; L31-Y42 HydrophobicContact CD2-CD1 3.9Å; L31-Y42 HydrophobicContact CD2-CE1 4.42Å; L31-L43 HydrophobicContact CD1-CD1 3.83Å; L31-L43 HydrophobicContact CD1-CD2 4.13Å; L31-L43 HydrophobicContact CD1-CG 4.11Å; L31-L43 HydrophobicContact CD2-CD2 4.18Å; L31-L43 HydrophobicContact CD2-CG 4.09Å; L31-L43 HydrophobicContact CG-CD1 4.48Å; L31-L43 HydrophobicContact CG-CD2 3.95Å; L31-L43 HydrophobicContact CG-CG 4.22Å
32L87.6Confident88.9Confident131 Ų13189.9 Ų89.969%0.68643%0.43SS*.Hα-helixtrans-66.4-36.1178.9-69.4175.5000112.5T28 S29 R35T28-L32 WeakPolarHBondContact O-CG 3.37Å; T28-L32 PolarHBondContact O-N 3.34Å; T28-L32 VanDerWaalsContact O-N 3.08Å; S29-L32 PolarHBondContact O-N 2.95Å; L32-R35 VanDerWaalsContact O-CG 3.31Å; L32-R35 WeakPolarHBondContact O-CG 3.42Å; L32-R35 PolarHBondContact O-NE 3.48Å; L32-R35 VanDerWaalsContact O-NE 3.13Å
33F79.3Confident89.3Confident156 Ų15688.4 Ų88.468%0.68443%0.425SS*.Hα-helixtrans-77.5-58.4178.8-179-106000112.4S29 F30 L31S29-F33 PolarHBondContact O-N 3.48Å; F30-F33 PolarHBondContact O-N 3.07Å; L31-F33 VanDerWaalsContact C-N 3.33Å
34V86Confident89.7Confident65 Ų6588.6 Ų88.639%0.39443%0.425SS..Hα-helixtrans-75.8-30-172.3178.50000112.3F30 P36 Y42F30-V34 WeakPolarHBondContact O-CB 3.31Å; F30-V34 WeakPolarHBondContact O-CG2 3.34Å; F30-V34 PolarHBondContact O-N 3.21Å; V34-P36 HydrophobicContact CG1-CB 4.42Å; V34-Y42 HydrophobicContact CG1-CE2 4.06Å; V34-Y42 WeakPolarHBondContact CG2-OH 3.33Å
35R90.9Very high89.6Confident204 Ų20486.4 Ų86.477%0.7742%0.417SS*.  trans45.454.4-177.8-56.9-177.8-177.2-176.6-0.6112.9L31 L32L31-R35 WeakPolarHBondContact O-CA 3.31Å; L31-R35 PolarHBondContact O-N 3.35Å; L32-R35 VanDerWaalsContact O-CG 3.31Å; L32-R35 WeakPolarHBondContact O-CG 3.42Å; L32-R35 PolarHBondContact O-NE 3.48Å; L32-R35 VanDerWaalsContact O-NE 3.13Å
36P93.6Very high89.7Confident26 Ų2682 Ų8217%0.16939%0.393CS..  trans-65.4144.6-174.829.8-37.4000111.4L31 V34 K38 P39 Y42L31-P36 HydrophobicContact CD2-CG 3.86Å; V34-P36 HydrophobicContact CG1-CB 4.42Å; P36-K38 PolarHBondContact O-N 2.97Å; P36-K38 VanDerWaalsContact O-N 3.08Å; P36-P39 WeakPolarHBondContact O-CD 3.41Å; P36-Y42 HydrophobicContact CB-CD2 4.26Å; P36-Y42 HydrophobicContact CB-CG 4.04Å; P36-Y42 HydrophobicContact CG-CD1 3.9Å; P36-Y42 HydrophobicContact CG-CD2 4.37Å; P36-Y42 HydrophobicContact CG-CG 3.75Å
37K96.3Very high90.1Very high215 Ų21582.8 Ų82.894%0.93540%0.399SS*.SBendtrans-57.5-25.6175-65.9-176179.6179.80113.2
38K97.1Very high90.1Very high121 Ų12186.7 Ų86.753%0.52642%0.417SS..SBendtrans-129.681.8-179.8-62.6-171176.1-170.60111.2P36 R40 E41 Y42P36-K38 PolarHBondContact O-N 2.97Å; P36-K38 VanDerWaalsContact O-N 3.08Å; K38-R40 PolarHBondContact O-N 3.24Å; K38-E41 HydrophobicContact CB-CB 4.24Å; K38-E41 HydrophobicContact CB-CG 4.48Å; K38-E41 HydrophobicContact CD-CG 4.43Å; K38-E41 WeakPolarHBondContact CD-OE1 3.16Å; K38-E41 WeakPolarHBondContact CD-OE2 3.35Å; K38-E41 IonicContact NZ-OE1 2.99Å; K38-E41 PolarHBondContact NZ-OE1 3.47Å; K38-E41 IonicContact NZ-OE2 3.28Å; K38-E41 PolarHBondContact NZ-OE2 3.09Å; K38-E41 PolarHBondContact O-N 2.92Å; K38-Y42 WeakPolarHBondContact O-CB 3.41Å; K38-Y42 PolarHBondContact O-N 3.43Å; K38-Y42 VanDerWaalsContact O-N 3.1Å
39P95.3Very high89.7Confident64 Ų6487.8 Ų87.842%0.41641%0.413SS..Hα-helixtrans-58.2-41.8-172.4-27.835.9000114.8L31 P36 Y42 L43L31-P39 HydrophobicContact CD2-CB 3.89Å; P36-P39 WeakPolarHBondContact O-CD 3.41Å; P39-Y42 PolarHBondContact O-N 3.02Å; P39-L43 WeakPolarHBondContact O-CG 3.44Å; P39-L43 PolarHBondContact O-N 2.98Å
40R95.6Very high89.4Confident197 Ų19785.9 Ų85.974%0.74340%0.398SS*.Hα-helixtrans-65.7-47.9-178.6-176.7176.8174.7-109.8-0.5112.3K38 Y42 L43 I44K38-R40 PolarHBondContact O-N 3.24Å; R40-Y42 VanDerWaalsContact C-N 3.28Å; R40-Y42 PolarHBondContact O-N 3.33Å; R40-L43 PolarHBondContact O-N 2.85Å; R40-I44 HydrophobicContact CG-CD1 4.06Å; R40-I44 VanDerWaalsContact O-CG1 3.31Å; R40-I44 WeakPolarHBondContact O-CG1 3.08Å; R40-I44 PolarHBondContact O-N 3.16Å
41E96.4Very high89.3Confident111 Ų11193.3 Ų93.352%0.51943%0.425SS..Hα-helixtrans-61.1-41.1177.4-69.4176.5-157.800110.7K38 I44 S45K38-E41 HydrophobicContact CB-CB 4.24Å; K38-E41 HydrophobicContact CB-CG 4.48Å; K38-E41 HydrophobicContact CD-CG 4.43Å; K38-E41 WeakPolarHBondContact CD-OE1 3.16Å; K38-E41 WeakPolarHBondContact CD-OE2 3.35Å; K38-E41 IonicContact NZ-OE1 2.99Å; K38-E41 PolarHBondContact NZ-OE1 3.47Å; K38-E41 IonicContact NZ-OE2 3.28Å; K38-E41 PolarHBondContact NZ-OE2 3.09Å; K38-E41 PolarHBondContact O-N 2.92Å; E41-I44 PolarHBondContact O-N 3.44Å; E41-S45 PolarHBondContact O-N 2.99Å
42Y91.6Very high88.8Confident32 Ų3295.5 Ų95.513%0.12544%0.437CS..Hα-helixtrans-60.6-49.8175.6176.3-96.2000112.5F30 L31 V34 P36 K38 P39 R40 I44 S45 L46 F62F30-Y42 HydrophobicContact CB-CE1 4.09Å; L31-Y42 HydrophobicContact CD2-CD1 3.9Å; L31-Y42 HydrophobicContact CD2-CE1 4.42Å; V34-Y42 HydrophobicContact CG1-CE2 4.06Å; V34-Y42 WeakPolarHBondContact CG2-OH 3.33Å; P36-Y42 HydrophobicContact CB-CD2 4.26Å; P36-Y42 HydrophobicContact CB-CG 4.04Å; P36-Y42 HydrophobicContact CG-CD1 3.9Å; P36-Y42 HydrophobicContact CG-CD2 4.37Å; P36-Y42 HydrophobicContact CG-CG 3.75Å; K38-Y42 WeakPolarHBondContact O-CB 3.41Å; K38-Y42 PolarHBondContact O-N 3.43Å; K38-Y42 VanDerWaalsContact O-N 3.1Å; P39-Y42 PolarHBondContact O-N 3.02Å; R40-Y42 VanDerWaalsContact C-N 3.28Å; R40-Y42 PolarHBondContact O-N 3.33Å; Y42-I44 VanDerWaalsContact C-N 3.33Å; Y42-I44 PolarHBondContact O-N 3.19Å; Y42-S45 PolarHBondContact O-N 3.49Å; Y42-S45 PolarHBondContact O-OG 3.47Å; Y42-L46 HydrophobicContact CE1-CD2 4.23Å; Y42-L46 WeakPolarHBondContact O-CB 3.38Å; Y42-L46 PolarHBondContact O-N 3.19Å; Y42-F62 HydrophobicContact CE2-CZ 4.32Å; Y42-F62 WeakPolarHBondContact OH-CE1 3.13Å; Y42-F62 WeakPolarHBondContact OH-CZ 3.35Å
43L91.8Very high88Confident42 Ų4290 Ų9022%0.2241%0.41CS..Hα-helixtrans-60.7-40.1177.9-75.3-179.4000112.8L27 L31 P39 R40 L46 L47L27-L43 HydrophobicContact CB-CD2 3.84Å; L27-L43 HydrophobicContact CD2-CD2 4Å; L27-L43 HydrophobicContact CG-CD2 4.35Å; L31-L43 HydrophobicContact CD1-CD1 3.83Å; L31-L43 HydrophobicContact CD1-CD2 4.13Å; L31-L43 HydrophobicContact CD1-CG 4.11Å; L31-L43 HydrophobicContact CD2-CD2 4.18Å; L31-L43 HydrophobicContact CD2-CG 4.09Å; L31-L43 HydrophobicContact CG-CD1 4.48Å; L31-L43 HydrophobicContact CG-CD2 3.95Å; L31-L43 HydrophobicContact CG-CG 4.22Å; P39-L43 WeakPolarHBondContact O-CG 3.44Å; P39-L43 PolarHBondContact O-N 2.98Å; R40-L43 PolarHBondContact O-N 2.85Å; L43-L46 WeakPolarHBondContact O-CB 3.34Å; L43-L46 PolarHBondContact O-N 3.17Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 WeakPolarHBondContact O-CG 3.25Å; L43-L47 PolarHBondContact O-N 3.42Å
44I93.2Very high87.5Confident69 Ų6989.9 Ų89.935%0.35441%0.409SS..Hα-helixtrans-60.3-50.1175.6-69.1165.3000109.7R40 E41 Y42 L46 L47 E48R40-I44 HydrophobicContact CG-CD1 4.06Å; R40-I44 VanDerWaalsContact O-CG1 3.31Å; R40-I44 WeakPolarHBondContact O-CG1 3.08Å; R40-I44 PolarHBondContact O-N 3.16Å; E41-I44 PolarHBondContact O-N 3.44Å; Y42-I44 VanDerWaalsContact C-N 3.33Å; Y42-I44 PolarHBondContact O-N 3.19Å; I44-L46 PolarHBondContact O-N 2.94Å; I44-L47 PolarHBondContact O-N 3.36Å; I44-E48 HydrophobicContact CG2-CG 4.35Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 WeakPolarHBondContact O-CG 3.5Å; I44-E48 PolarHBondContact O-N 3.36Å
45S89Confident86.9Confident37 Ų3792.4 Ų92.426%0.25943%0.425SS..Hα-helixtrans-60.6-33.5178.479.30000112.8E41 Y42 R49E41-S45 PolarHBondContact O-N 2.99Å; Y42-S45 PolarHBondContact O-N 3.49Å; Y42-S45 PolarHBondContact O-OG 3.47Å; S45-R49 VanDerWaalsContact O-CG 3.24Å; S45-R49 WeakPolarHBondContact O-CG 3.36Å; S45-R49 PolarHBondContact O-N 2.88Å; S45-R49 PolarHBondContact O-NE 3.06Å; S45-R49 PolarHBondContact OG-NH2 3.42Å
46L86.5Confident85.8Confident0 Ų086.5 Ų86.50%041%0.411CS..Hα-helixtrans-70.1-47.6178.6-176.364.3000110.5L27 F30 Y42 L43 I44 R49 L50 F60 F62L27-L46 HydrophobicContact CD2-CD2 3.44Å; L27-L46 VanDerWaalsContact CD2-CD2 3.44Å; L27-L46 HydrophobicContact CD2-CG 4Å; F30-L46 HydrophobicContact CB-CD2 4.13Å; F30-L46 HydrophobicContact CD2-CD1 4.45Å; F30-L46 HydrophobicContact CD2-CD2 3.41Å; F30-L46 VanDerWaalsContact CD2-CD2 3.41Å; F30-L46 HydrophobicContact CD2-CG 4.5Å; F30-L46 HydrophobicContact CE2-CD1 4.32Å; F30-L46 HydrophobicContact CE2-CD2 3.98Å; F30-L46 HydrophobicContact CG-CD2 3.97Å; Y42-L46 HydrophobicContact CE1-CD2 4.23Å; Y42-L46 WeakPolarHBondContact O-CB 3.38Å; Y42-L46 PolarHBondContact O-N 3.19Å; L43-L46 WeakPolarHBondContact O-CB 3.34Å; L43-L46 PolarHBondContact O-N 3.17Å; I44-L46 PolarHBondContact O-N 2.94Å; L46-R49 PolarHBondContact O-N 3.01Å; L46-L50 HydrophobicContact CG-CD1 4.37Å; L46-L50 WeakPolarHBondContact O-CG 3.29Å; L46-L50 PolarHBondContact O-N 3.27Å; L46-F60 HydrophobicContact CD1-CE1 3.63Å; L46-F60 HydrophobicContact CD1-CZ 3.81Å; L46-F62 HydrophobicContact CD1-CD1 4.32Å; L46-F62 HydrophobicContact CD1-CD2 3.56Å; L46-F62 HydrophobicContact CD1-CE1 4.18Å; L46-F62 HydrophobicContact CD1-CE2 3.28Å; L46-F62 HydrophobicContact CD1-CG 4Å; L46-F62 HydrophobicContact CD1-CZ 3.63Å
47L88.8Confident84Confident71 Ų7187.8 Ų87.837%0.37243%0.43SS..Hα-helixtrans-62.7-40.6175.7-76.1169.3000112.8L23 L27 L43 I44 R49 L50 R51L23-L47 HydrophobicContact CD1-CD2 4.26Å; L23-L47 HydrophobicContact CD2-CD2 4.18Å; L27-L47 HydrophobicContact CD1-CD1 4.43Å; L27-L47 HydrophobicContact CD1-CD2 4.01Å; L27-L47 HydrophobicContact CD1-CG 4.32Å; L27-L47 HydrophobicContact CD2-CD2 4.25Å; L27-L47 HydrophobicContact CD2-CG 4.26Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 WeakPolarHBondContact O-CG 3.25Å; L43-L47 PolarHBondContact O-N 3.42Å; I44-L47 PolarHBondContact O-N 3.36Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 PolarHBondContact O-N 3.4Å; L47-L50 PolarHBondContact O-N 2.93Å; L47-R51 WeakPolarHBondContact O-CB 3.41Å; L47-R51 PolarHBondContact O-N 3.37Å
48E88.1Confident82.2Confident96 Ų9681.8 Ų81.845%0.44941%0.411SS..Hα-helixtrans-61.4-42.6176.3-77.1176.7159.100111.6I44 R51 I52I44-E48 HydrophobicContact CG2-CG 4.35Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 WeakPolarHBondContact O-CG 3.5Å; I44-E48 PolarHBondContact O-N 3.36Å; E48-R51 WeakPolarHBondContact O-CB 3.47Å; E48-R51 PolarHBondContact O-N 3.4Å; E48-I52 VanDerWaalsContact O-CG1 3.3Å; E48-I52 WeakPolarHBondContact O-CG1 3.32Å; E48-I52 PolarHBondContact O-N 2.85Å
49R79.3Confident80.1Confident94 Ų9478.7 Ų78.736%0.35540%0.402SS..Hα-helixtrans-71.2-39.5177.5-67175.6-76.5177.3-6.8112.6S45 L46 L47 R51 I52 A53 F60 F62S45-R49 VanDerWaalsContact O-CG 3.24Å; S45-R49 WeakPolarHBondContact O-CG 3.36Å; S45-R49 PolarHBondContact O-N 2.88Å; S45-R49 PolarHBondContact O-NE 3.06Å; S45-R49 PolarHBondContact OG-NH2 3.42Å; L46-R49 PolarHBondContact O-N 3.01Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 PolarHBondContact O-N 3.4Å; R49-R51 VanDerWaalsContact C-N 3.29Å; R49-R51 PolarHBondContact O-N 2.96Å; R49-I52 PolarHBondContact O-N 2.88Å; R49-A53 WeakPolarHBondContact O-CB 3.41Å; R49-A53 PolarHBondContact O-N 3.25Å; R49-F60 HydrophobicContact CB-CD2 4.02Å; R49-F60 HydrophobicContact CB-CE2 3.16Å; R49-F60 HydrophobicContact CB-CZ 3.49Å; R49-F60 VanDerWaalsContact CB-CZ 3.49Å; R49-F60 HydrophobicContact CG-CE2 4.09Å; R49-F60 HydrophobicContact CG-CZ 4.46Å; R49-F62 VanDerWaalsContact NH2-CE2 3.33Å
50L79.1Confident78.2Confident24 Ų2476.6 Ų76.613%0.12639%0.386CS..Hα-helixtrans-58.8-41.5171.4-73.8170000111.6L23 L46 L47 A53 K54 F60 W129L23-L50 HydrophobicContact CD1-CD1 3.92Å; L46-L50 HydrophobicContact CG-CD1 4.37Å; L46-L50 WeakPolarHBondContact O-CG 3.29Å; L46-L50 PolarHBondContact O-N 3.27Å; L47-L50 PolarHBondContact O-N 2.93Å; L50-A53 PolarHBondContact O-N 3.04Å; L50-K54 WeakPolarHBondContact O-CB 3.48Å; L50-K54 PolarHBondContact O-N 3.33Å; L50-F60 HydrophobicContact CD2-CB 4.42Å; L50-F60 HydrophobicContact CD2-CD1 3.29Å; L50-F60 HydrophobicContact CD2-CE1 3.64Å; L50-F60 HydrophobicContact CD2-CG 4.01Å; L50-F60 HydrophobicContact CG-CD1 3.98Å; L50-F60 HydrophobicContact CG-CE1 3.82Å; L50-W129 HydrophobicContact CD2-CH2 3.99Å
51R81.9Confident76.3Confident159 Ų15970.6 Ų70.660%0.637%0.373SS*.Hα-helixtrans-62.1-46.3175-179.5-172.365.8175.4-2.9111.5L47 E48 R49 K54 V55L47-R51 WeakPolarHBondContact O-CB 3.41Å; L47-R51 PolarHBondContact O-N 3.37Å; E48-R51 WeakPolarHBondContact O-CB 3.47Å; E48-R51 PolarHBondContact O-N 3.4Å; R49-R51 VanDerWaalsContact C-N 3.29Å; R49-R51 PolarHBondContact O-N 2.96Å; R51-K54 PolarHBondContact O-N 3.4Å; R51-V55 WeakPolarHBondContact O-CG2 3.49Å; R51-V55 PolarHBondContact O-N 3.08Å
52I77.2Confident74.3Confident92 Ų9267.8 Ų67.847%0.47236%0.359SS..Hα-helixtrans-60.3-51.3178.2-68.9163.6000109.5E48 R49 K54 V55 T56E48-I52 VanDerWaalsContact O-CG1 3.3Å; E48-I52 WeakPolarHBondContact O-CG1 3.32Å; E48-I52 PolarHBondContact O-N 2.85Å; R49-I52 PolarHBondContact O-N 2.88Å; I52-K54 VanDerWaalsContact C-N 3.29Å; I52-K54 PolarHBondContact O-N 3.45Å; I52-V55 PolarHBondContact O-N 3.39Å; I52-T56 HydrophobicContact CG2-CG2 4.03Å; I52-T56 WeakPolarHBondContact O-CG2 3.11Å; I52-T56 PolarHBondContact O-N 3.14Å; I52-T56 PolarHBondContact O-OG1 2.85Å
53A70.4Confident72.6Confident15 Ų1572.3 Ų72.312%0.12438%0.38CS..Hα-helixtrans-52.7-45.917700000112.5R49 L50 V55 T56 G57 V58 F60R49-A53 WeakPolarHBondContact O-CB 3.41Å; R49-A53 PolarHBondContact O-N 3.25Å; L50-A53 PolarHBondContact O-N 3.04Å; A53-V55 VanDerWaalsContact C-N 3.35Å; A53-V55 PolarHBondContact O-N 3.02Å; A53-T56 PolarHBondContact O-N 2.85Å; A53-G57 WeakPolarHBondContact O-CA 3.15Å; A53-G57 PolarHBondContact O-N 3.17Å; A53-V58 WeakPolarHBondContact CA-O 3.28Å; A53-V58 WeakPolarHBondContact CB-O 3.31Å; A53-V58 PolarHBondContact O-N 2.88Å; A53-F60 HydrophobicContact CB-CB 3.74Å; A53-F60 HydrophobicContact CB-CD2 4.41Å; A53-F60 HydrophobicContact CB-CG 4.36Å
54K70.2Confident71.3Confident153 Ų15371.8 Ų71.867%0.66538%0.377SS*.Hα-helixtrans-62.8-37.3176.8-172.7163.6-172.8139.60113.2L50 R51 I52 F132L50-K54 WeakPolarHBondContact O-CB 3.48Å; L50-K54 PolarHBondContact O-N 3.33Å; R51-K54 PolarHBondContact O-N 3.4Å; I52-K54 VanDerWaalsContact C-N 3.29Å; I52-K54 PolarHBondContact O-N 3.45Å; K54-F132 PolarHBondContact NZ-O 3.13Å
55V73.1Confident70.4Confident119 Ų11971.7 Ų71.772%0.72138%0.377SS*.Hα-helixtrans-78-38.2-179.9171.50000111.8R51 I52 A53R51-V55 WeakPolarHBondContact O-CG2 3.49Å; R51-V55 PolarHBondContact O-N 3.08Å; I52-V55 PolarHBondContact O-N 3.39Å; A53-V55 VanDerWaalsContact C-N 3.35Å; A53-V55 PolarHBondContact O-N 3.02Å
56T66.7Low69.8Low79 Ų7974.5 Ų74.549%0.48539%0.389SS..Hα-helixtrans-91.5-9-174.161.90000113.2I52 A53 V58I52-T56 HydrophobicContact CG2-CG2 4.03Å; I52-T56 WeakPolarHBondContact O-CG2 3.11Å; I52-T56 PolarHBondContact O-N 3.14Å; I52-T56 PolarHBondContact O-OG1 2.85Å; A53-T56 PolarHBondContact O-N 2.85Å; T56-V58 PolarHBondContact O-N 3.13Å; T56-V58 WeakPolarHBondContact OG1-CB 3.48Å; T56-V58 VanDerWaalsContact OG1-CG2 3.31Å; T56-V58 WeakPolarHBondContact OG1-CG2 3.36Å; T56-V58 PolarHBondContact OG1-N 2.56Å
57G56.6Low69.7Low54 Ų5477.7 Ų77.756%0.55741%0.411SS*.THydrogen-bonded Turntrans64.616.2-171.900000113.1A53A53-G57 WeakPolarHBondContact O-CA 3.15Å; A53-G57 PolarHBondContact O-N 3.17Å
58V57.6Low69.4Low89 Ų8977.3 Ų77.354%0.53941%0.409SS..  trans-87.8129.1-179.9177.30000107.6A53 T56 F60A53-V58 WeakPolarHBondContact CA-O 3.28Å; A53-V58 WeakPolarHBondContact CB-O 3.31Å; A53-V58 PolarHBondContact O-N 2.88Å; T56-V58 PolarHBondContact O-N 3.13Å; T56-V58 WeakPolarHBondContact OG1-CB 3.48Å; T56-V58 VanDerWaalsContact OG1-CG2 3.31Å; T56-V58 WeakPolarHBondContact OG1-CG2 3.36Å; T56-V58 PolarHBondContact OG1-N 2.56Å; V58-F60 PolarHBondContact O-N 3.08Å
59T53.9Low69.3Low55 Ų5572.8 Ų72.834%0.33739%0.388SS..  trans-53.7132.4176.641.50000111P61 E126T59-P61 VanDerWaalsContact O-CD 3.32Å; T59-P61 WeakPolarHBondContact O-CD 3.44Å; T59-E126 HydrophobicContact CG2-CB 3.58Å; T59-E126 HydrophobicContact CG2-CG 3.74Å
60F56.3Low69.8Low20 Ų2070.3 Ų70.39%0.08838%0.384CS..  trans-92.1109.1175.7-169.5-121000110.1L46 R49 L50 A53 V58 F62 W129L46-F60 HydrophobicContact CD1-CE1 3.63Å; L46-F60 HydrophobicContact CD1-CZ 3.81Å; R49-F60 HydrophobicContact CB-CD2 4.02Å; R49-F60 HydrophobicContact CB-CE2 3.16Å; R49-F60 HydrophobicContact CB-CZ 3.49Å; R49-F60 VanDerWaalsContact CB-CZ 3.49Å; R49-F60 HydrophobicContact CG-CE2 4.09Å; R49-F60 HydrophobicContact CG-CZ 4.46Å; L50-F60 HydrophobicContact CD2-CB 4.42Å; L50-F60 HydrophobicContact CD2-CD1 3.29Å; L50-F60 HydrophobicContact CD2-CE1 3.64Å; L50-F60 HydrophobicContact CD2-CG 4.01Å; L50-F60 HydrophobicContact CG-CD1 3.98Å; L50-F60 HydrophobicContact CG-CE1 3.82Å; A53-F60 HydrophobicContact CB-CB 3.74Å; A53-F60 HydrophobicContact CB-CD2 4.41Å; A53-F60 HydrophobicContact CB-CG 4.36Å; V58-F60 PolarHBondContact O-N 3.08Å; F60-F62 HydrophobicContact CD1-CB 4.26Å; F60-F62 HydrophobicContact CD1-CD2 4.16Å; F60-F62 HydrophobicContact CE1-CB 3.98Å; F60-F62 AromaticContact CE1-CD2 3.22Å; F60-F62 HydrophobicContact CE1-CD2 3.22Å; F60-F62 AromaticContact CE1-CE2 3.94Å; F60-F62 HydrophobicContact CE1-CE2 3.94Å; F60-F62 AromaticContact CE1-CG 3.96Å; F60-F62 HydrophobicContact CE1-CG 3.96Å; F60-F62 HydrophobicContact CE2-CD2 4.02Å; F60-F62 HydrophobicContact CE2-CE2 4.39Å; F60-F62 AromaticContact CZ-CD2 3.16Å; F60-F62 HydrophobicContact CZ-CD2 3.16Å; F60-F62 AromaticContact CZ-CE2 3.5Å; F60-F62 HydrophobicContact CZ-CE2 3.5Å; F60-F62 HydrophobicContact CZ-CG 4.29Å; F60-F62 PolarHBondContact O-N 3.41Å; F60-W129 HydrophobicContact CB-CZ2 4.35Å; F60-W129 PolarHBondContact O-NE1 3.33Å
61P53.8Low70.3Confident72 Ų7272 Ų7247%0.46840%0.397SS..  trans-93.394.5-177.133.4-23000107.6T59 D65T59-P61 VanDerWaalsContact O-CD 3.32Å; T59-P61 WeakPolarHBondContact O-CD 3.44Å; P61-D65 HydrophobicContact CB-CB 4.38Å
62F56.3Low70.7Confident52 Ų5266.4 Ų66.423%0.22838%0.378CS..SBendtrans-107.8-21.1168.5-128.9-85.1000114.5F30 Y42 L46 R49 F60F30-F62 AromaticContact CD1-CD1 3.76Å; F30-F62 HydrophobicContact CD1-CD1 3.76Å; F30-F62 HydrophobicContact CD1-CE1 4.25Å; F30-F62 HydrophobicContact CE1-CB 3.8Å; F30-F62 AromaticContact CE1-CD1 3.3Å; F30-F62 HydrophobicContact CE1-CD1 3.3Å; F30-F62 HydrophobicContact CE1-CE1 4.21Å; F30-F62 AromaticContact CE1-CG 3.81Å; F30-F62 HydrophobicContact CE1-CG 3.81Å; F30-F62 HydrophobicContact CZ-CB 3.57Å; F30-F62 AromaticContact CZ-CD1 3.82Å; F30-F62 HydrophobicContact CZ-CD1 3.82Å; F30-F62 AromaticContact CZ-CG 3.85Å; F30-F62 HydrophobicContact CZ-CG 3.85Å; Y42-F62 HydrophobicContact CE2-CZ 4.32Å; Y42-F62 WeakPolarHBondContact OH-CE1 3.13Å; Y42-F62 WeakPolarHBondContact OH-CZ 3.35Å; L46-F62 HydrophobicContact CD1-CD1 4.32Å; L46-F62 HydrophobicContact CD1-CD2 3.56Å; L46-F62 HydrophobicContact CD1-CE1 4.18Å; L46-F62 HydrophobicContact CD1-CE2 3.28Å; L46-F62 HydrophobicContact CD1-CG 4Å; L46-F62 HydrophobicContact CD1-CZ 3.63Å; R49-F62 VanDerWaalsContact NH2-CE2 3.33Å; F60-F62 HydrophobicContact CD1-CB 4.26Å; F60-F62 HydrophobicContact CD1-CD2 4.16Å; F60-F62 HydrophobicContact CE1-CB 3.98Å; F60-F62 AromaticContact CE1-CD2 3.22Å; F60-F62 HydrophobicContact CE1-CD2 3.22Å; F60-F62 AromaticContact CE1-CE2 3.94Å; F60-F62 HydrophobicContact CE1-CE2 3.94Å; F60-F62 AromaticContact CE1-CG 3.96Å; F60-F62 HydrophobicContact CE1-CG 3.96Å; F60-F62 HydrophobicContact CE2-CD2 4.02Å; F60-F62 HydrophobicContact CE2-CE2 4.39Å; F60-F62 AromaticContact CZ-CD2 3.16Å; F60-F62 HydrophobicContact CZ-CD2 3.16Å; F60-F62 AromaticContact CZ-CE2 3.5Å; F60-F62 HydrophobicContact CZ-CE2 3.5Å; F60-F62 HydrophobicContact CZ-CG 4.29Å; F60-F62 PolarHBondContact O-N 3.41Å
63F54.7Low71.5Confident126 Ų12662.4 Ų62.455%0.55336%0.358SS*.SBendtrans-114.3-22.7179.3-97.7-80.2000113.8F30F30-F63 AromaticContact CD1-CE2 3.89Å; F30-F63 HydrophobicContact CD1-CE2 3.89Å; F30-F63 AromaticContact CE1-CD2 3.49Å; F30-F63 HydrophobicContact CE1-CD2 3.49Å; F30-F63 VanDerWaalsContact CE1-CD2 3.49Å; F30-F63 AromaticContact CE1-CE2 3.14Å; F30-F63 HydrophobicContact CE1-CE2 3.14Å; F30-F63 HydrophobicContact CE1-CZ 4.09Å; F30-F63 AromaticContact CZ-CD2 3.74Å; F30-F63 HydrophobicContact CZ-CD2 3.74Å; F30-F63 AromaticContact CZ-CE2 3.63Å; F30-F63 HydrophobicContact CZ-CE2 3.63Å
64M65.1Low72.5Confident32 Ų3267.6 Ų67.616%0.15838%0.379CS..  trans-137.283.6179.2-87.3-63.3-172.500109.7N68 I69 M72 L96 V121M64-N68 HydrophobicContact SD-CB 3.77Å; M64-I69 HydrophobicContact CB-CG1 4.27Å; M64-I69 HydrophobicContact CG-CG1 4.45Å; M64-I69 HydrophobicContact SD-CB 4.5Å; M64-I69 HydrophobicContact SD-CG1 3.57Å; M64-I69 VanDerWaalsContact SD-CG1 3.57Å; M64-M72 HydrophobicContact CE-CE 4.02Å; M64-M72 HydrophobicContact CE-SD 3.84Å; M64-L96 HydrophobicContact CE-CD1 3.58Å; M64-L96 HydrophobicContact CE-CD2 3.09Å; M64-L96 HydrophobicContact CE-CG 3.91Å; M64-L96 HydrophobicContact CG-CD2 4.44Å; M64-V121 HydrophobicContact CB-CG1 4.44Å; M64-V121 HydrophobicContact CG-CG1 4.39Å
65D73.4Confident73.6Confident67 Ų6767.9 Ų67.936%0.35839%0.385SS..  trans-82.6169.416271.230.3000110.5P61 S67 N68 I69P61-D65 HydrophobicContact CB-CB 4.38Å; D65-S67 PolarHBondContact O-N 3.33Å; D65-S67 VanDerWaalsContact O-N 3.13Å; D65-S67 VanDerWaalsContact OD1-CA 3.31Å; D65-S67 WeakPolarHBondContact OD1-CA 3.43Å; D65-S67 VanDerWaalsContact OD1-CB 3.28Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 2.84Å; D65-N68 VanDerWaalsContact CG-OD1 3.26Å; D65-N68 PolarHBondContact N-OD1 2.91Å; D65-N68 VanDerWaalsContact N-OD1 3.08Å; D65-N68 PolarHBondContact O-N 3.02Å; D65-N68 VanDerWaalsContact OD1-CG 3.22Å; D65-N68 PolarHBondContact OD1-N 3.49Å; D65-N68 PolarHBondContact OD1-OD1 2.91Å; D65-I69 WeakPolarHBondContact O-CG1 2.96Å; D65-I69 PolarHBondContact O-N 3.06Å
66N77.6Confident74.5Confident96 Ų9663.7 Ų63.751%0.51336%0.358SS..Hα-helixtrans-55.5-32.5179.6-80.9-42.4000112.7V70 R118N66-V70 WeakPolarHBondContact O-CB 3.45Å; N66-V70 WeakPolarHBondContact O-CG2 3.47Å; N66-V70 PolarHBondContact O-N 3.32Å; N66-R118 WeakPolarHBondContact OD1-CD 3.39Å
67S83Confident75.8Confident66 Ų6660.7 Ų60.746%0.46234%0.339SS..Hα-helixtrans-70.2-39.6178.280.10000111.6D65 V70 S71D65-S67 PolarHBondContact O-N 3.33Å; D65-S67 VanDerWaalsContact O-N 3.13Å; D65-S67 VanDerWaalsContact OD1-CA 3.31Å; D65-S67 WeakPolarHBondContact OD1-CA 3.43Å; D65-S67 VanDerWaalsContact OD1-CB 3.28Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 2.84Å; S67-V70 PolarHBondContact O-N 2.92Å; S67-S71 WeakPolarHBondContact O-CB 3.41Å; S67-S71 PolarHBondContact O-N 3.29Å; S67-S71 PolarHBondContact O-OG 3.05Å; S67-S71 VanDerWaalsContact O-OG 3.04Å
68N82.6Confident77.3Confident64 Ų6463.6 Ų63.634%0.34235%0.351SS..Hα-helixtrans-65.9-41.3177.1-51.3141.2000111.3M64 D65 S71 M72M64-N68 HydrophobicContact SD-CB 3.77Å; D65-N68 VanDerWaalsContact CG-OD1 3.26Å; D65-N68 PolarHBondContact N-OD1 2.91Å; D65-N68 VanDerWaalsContact N-OD1 3.08Å; D65-N68 PolarHBondContact O-N 3.02Å; D65-N68 VanDerWaalsContact OD1-CG 3.22Å; D65-N68 PolarHBondContact OD1-N 3.49Å; D65-N68 PolarHBondContact OD1-OD1 2.91Å; N68-S71 PolarHBondContact O-N 3.47Å; N68-M72 WeakPolarHBondContact O-CB 3.36Å; N68-M72 PolarHBondContact O-N 3.16Å
69I86.7Confident78.7Confident0 Ų062.3 Ų62.30%035%0.346CS..Hα-helixtrans-62.7-46.7177.2-63.8172.2000110.5M64 D65 M72 F73 F117 R118 V121M64-I69 HydrophobicContact CB-CG1 4.27Å; M64-I69 HydrophobicContact CG-CG1 4.45Å; M64-I69 HydrophobicContact SD-CB 4.5Å; M64-I69 HydrophobicContact SD-CG1 3.57Å; M64-I69 VanDerWaalsContact SD-CG1 3.57Å; D65-I69 WeakPolarHBondContact O-CG1 2.96Å; D65-I69 PolarHBondContact O-N 3.06Å; I69-M72 PolarHBondContact O-N 3.4Å; I69-F73 PolarHBondContact O-N 3.31Å; I69-F117 HydrophobicContact CG2-CD1 3.93Å; I69-F117 HydrophobicContact CG2-CE1 3.92Å; I69-R118 HydrophobicContact CD1-CG 4.29Å; I69-R118 HydrophobicContact CG2-CB 3.91Å; I69-R118 HydrophobicContact CG2-CG 4.16Å; I69-V121 HydrophobicContact CD1-CB 4.24Å; I69-V121 HydrophobicContact CD1-CG1 3.71Å; I69-V121 HydrophobicContact CG1-CG1 4.01Å
70V89.1Confident80.3Confident43 Ų4362.9 Ų62.926%0.26136%0.363SS..Hα-helixtrans-60.8-51.1177.51710000110.6N66 S67 M72 F73 E74 L114N66-V70 WeakPolarHBondContact O-CB 3.45Å; N66-V70 WeakPolarHBondContact O-CG2 3.47Å; N66-V70 PolarHBondContact O-N 3.32Å; S67-V70 PolarHBondContact O-N 2.92Å; V70-M72 VanDerWaalsContact C-N 3.29Å; V70-M72 PolarHBondContact O-N 3.27Å; V70-F73 WeakPolarHBondContact O-CB 3.38Å; V70-F73 PolarHBondContact O-N 3.44Å; V70-F73 VanDerWaalsContact O-N 3.11Å; V70-E74 HydrophobicContact CG1-CG 4.36Å; V70-E74 WeakPolarHBondContact O-CG 3.14Å; V70-E74 PolarHBondContact O-N 3.48Å; V70-L114 HydrophobicContact CG2-CD1 4.16Å; V70-L114 HydrophobicContact CG2-CD2 4.18Å
71S90.4Very high81.9Confident59 Ų5970.5 Ų70.541%0.41339%0.391SS..Hα-helixtrans-58.6-40.7179.4-640000112.4S67 N68 E74 M75S67-S71 WeakPolarHBondContact O-CB 3.41Å; S67-S71 PolarHBondContact O-N 3.29Å; S67-S71 PolarHBondContact O-OG 3.05Å; S67-S71 VanDerWaalsContact O-OG 3.04Å; N68-S71 PolarHBondContact O-N 3.47Å; S71-E74 PolarHBondContact O-N 3.2Å; S71-M75 VanDerWaalsContact O-CG 3.3Å; S71-M75 WeakPolarHBondContact O-CG 3.41Å; S71-M75 PolarHBondContact O-N 3.09Å
72M90.2Very high83.7Confident41 Ų4169 Ų6920%0.20239%0.388CS..Hα-helixtrans-68-38.1178.4-162.2178.373.600111.9M64 N68 I69 V70 M75 M76 A92 L96 F117M64-M72 HydrophobicContact CE-CE 4.02Å; M64-M72 HydrophobicContact CE-SD 3.84Å; N68-M72 WeakPolarHBondContact O-CB 3.36Å; N68-M72 PolarHBondContact O-N 3.16Å; I69-M72 PolarHBondContact O-N 3.4Å; V70-M72 VanDerWaalsContact C-N 3.29Å; V70-M72 PolarHBondContact O-N 3.27Å; M72-M75 PolarHBondContact O-N 3.44Å; M72-M76 HydrophobicContact CE-CE 4.18Å; M72-M76 HydrophobicContact CG-CE 4.44Å; M72-M76 WeakPolarHBondContact O-CG 3.49Å; M72-M76 PolarHBondContact O-N 2.97Å; M72-A92 HydrophobicContact CE-CB 3.76Å; M72-L96 HydrophobicContact CE-CD1 3.69Å; M72-L96 HydrophobicContact CE-CD2 4.39Å; M72-L96 HydrophobicContact CE-CG 4.17Å; M72-L96 HydrophobicContact SD-CD1 4.45Å; M72-L96 HydrophobicContact SD-CD2 4.06Å; M72-L96 HydrophobicContact SD-CG 4.38Å; M72-F117 HydrophobicContact CE-CE1 3.69Å; M72-F117 HydrophobicContact CE-CE2 4.35Å; M72-F117 HydrophobicContact CE-CZ 3.23Å
73F92.8Very high85.5Confident8 Ų867.9 Ų67.94%0.03539%0.386CS..Hα-helixtrans-61.8-47.4173.9-174.4-86.1000111.4I69 V70 M75 M76 D77 I84 T113 L114 F117I69-F73 PolarHBondContact O-N 3.31Å; V70-F73 WeakPolarHBondContact O-CB 3.38Å; V70-F73 PolarHBondContact O-N 3.44Å; V70-F73 VanDerWaalsContact O-N 3.11Å; F73-M75 VanDerWaalsContact C-N 3.3Å; F73-M75 PolarHBondContact O-N 2.99Å; F73-M76 PolarHBondContact O-N 2.92Å; F73-D77 HydrophobicContact CD1-CB 4.44Å; F73-D77 HydrophobicContact CE1-CB 4.09Å; F73-D77 PolarHBondContact O-N 3.04Å; F73-I84 HydrophobicContact CD2-CD1 4.06Å; F73-I84 HydrophobicContact CD2-CG1 4.46Å; F73-I84 HydrophobicContact CD2-CG2 4.2Å; F73-I84 HydrophobicContact CE1-CG2 4.44Å; F73-I84 HydrophobicContact CE2-CB 4.39Å; F73-I84 HydrophobicContact CE2-CD1 3.98Å; F73-I84 HydrophobicContact CE2-CG1 3.89Å; F73-I84 HydrophobicContact CE2-CG2 3.82Å; F73-I84 HydrophobicContact CZ-CG2 3.96Å; F73-T113 VanDerWaalsContact CE2-C 3.48Å; F73-L114 HydrophobicContact CB-CD1 3.64Å; F73-L114 HydrophobicContact CD1-CB 4.02Å; F73-L114 HydrophobicContact CD1-CD1 4.08Å; F73-L114 HydrophobicContact CD2-CB 4.27Å; F73-L114 HydrophobicContact CD2-CD1 4.13Å; F73-L114 HydrophobicContact CE1-CB 3.97Å; F73-L114 HydrophobicContact CE2-CB 4.2Å; F73-L114 VanDerWaalsContact CE2-N 3.34Å; F73-L114 HydrophobicContact CG-CB 4.17Å; F73-L114 HydrophobicContact CG-CD1 3.68Å; F73-L114 HydrophobicContact CZ-CB 4.05Å; F73-L114 VanDerWaalsContact CZ-N 3.31Å; F73-F117 HydrophobicContact CB-CD1 4.2Å; F73-F117 HydrophobicContact CD2-CB 3.99Å; F73-F117 AromaticContact CD2-CD1 3.91Å; F73-F117 HydrophobicContact CD2-CD1 3.91Å; F73-F117 HydrophobicContact CD2-CG 4.14Å; F73-F117 HydrophobicContact CE2-CB 4.29Å
74E92.8Very high87.4Confident124 Ų12461.9 Ų61.958%0.57936%0.36SS*.Hα-helixtrans-60.4-38177.7-70.3176.8168.800112.2V70 S71 M76 D77V70-E74 HydrophobicContact CG1-CG 4.36Å; V70-E74 WeakPolarHBondContact O-CG 3.14Å; V70-E74 PolarHBondContact O-N 3.48Å; S71-E74 PolarHBondContact O-N 3.2Å; E74-M76 VanDerWaalsContact C-N 3.26Å; E74-M76 PolarHBondContact O-N 3.28Å; E74-D77 CarbonylContact O-C 3.57Å; E74-D77 PolarHBondContact O-N 3.44Å
75M92.3Very high88.7Confident159 Ų15962.4 Ų62.478%0.78337%0.367SS*.Hα-helixtrans-63.9-30.8174.3-73.7176.770.200112.9S71 M72 F73S71-M75 VanDerWaalsContact O-CG 3.3Å; S71-M75 WeakPolarHBondContact O-CG 3.41Å; S71-M75 PolarHBondContact O-N 3.09Å; M72-M75 PolarHBondContact O-N 3.44Å; F73-M75 VanDerWaalsContact C-N 3.3Å; F73-M75 PolarHBondContact O-N 2.99Å
76M93.1Very high89.6Confident32 Ų3260.5 Ų60.516%0.15836%0.355CS..Hα-helixtrans-84.1-35.2177.2-68.2-174.3-69.500112.6M72 F73 E74 S78 I84 Q88 A92 F117M72-M76 HydrophobicContact CE-CE 4.18Å; M72-M76 HydrophobicContact CG-CE 4.44Å; M72-M76 WeakPolarHBondContact O-CG 3.49Å; M72-M76 PolarHBondContact O-N 2.97Å; F73-M76 PolarHBondContact O-N 2.92Å; E74-M76 VanDerWaalsContact C-N 3.26Å; E74-M76 PolarHBondContact O-N 3.28Å; M76-S78 VanDerWaalsContact C-N 3.26Å; M76-S78 PolarHBondContact O-N 3.49Å; M76-I84 HydrophobicContact CB-CG2 3.78Å; M76-I84 HydrophobicContact CE-CD1 3.66Å; M76-I84 HydrophobicContact SD-CD1 4.21Å; M76-Q88 PolarHBondContact O-NE2 3.22Å; M76-Q88 HydrophobicContact SD-CB 4.19Å; M76-A92 HydrophobicContact CE-CB 3.88Å; M76-A92 HydrophobicContact SD-CB 3.67Å; M76-F117 HydrophobicContact CE-CE1 4.19Å; M76-F117 HydrophobicContact CE-CZ 4.17Å
77D93.5Very high90.2Very high15 Ų1560.8 Ų60.88%0.0836%0.36CS..  trans-88.360.1172.7-17520.6000111.3F73 E74 S79 G80 R81 G82 C83 I84F73-D77 HydrophobicContact CD1-CB 4.44Å; F73-D77 HydrophobicContact CE1-CB 4.09Å; F73-D77 PolarHBondContact O-N 3.04Å; E74-D77 CarbonylContact O-C 3.57Å; E74-D77 PolarHBondContact O-N 3.44Å; D77-S79 PolarHBondContact O-N 3.05Å; D77-S79 PolarHBondContact OD1-OG 3.04Å; D77-G80 PolarHBondContact O-N 2.98Å; D77-G80 PolarHBondContact OD1-N 2.64Å; D77-G80 VanDerWaalsContact OD1-N 3.07Å; D77-R81 VanDerWaalsContact CG-N 3.35Å; D77-R81 PolarHBondContact OD1-N 2.66Å; D77-R81 PolarHBondContact OD2-N 3.04Å; D77-G82 WeakPolarHBondContact OD2-CA 3.44Å; D77-G82 PolarHBondContact OD2-N 2.84Å; D77-C83 PolarHBondContact OD2-N 3.32Å; D77-I84 HydrophobicContact CB-CG2 3.93Å
78S87.6Confident90.6Very high116 Ų11660.8 Ų60.881%0.81135%0.353SS*.THydrogen-bonded Turntrans-59.2-16.317559.60000113.5M76M76-S78 VanDerWaalsContact C-N 3.26Å; M76-S78 PolarHBondContact O-N 3.49Å
79S87.6Confident91.1Very high62 Ų6258.7 Ų58.743%0.43434%0.34SS..THydrogen-bonded Turntrans-83.7-11.7175.154.40000114.9D77 R81D77-S79 PolarHBondContact O-N 3.05Å; D77-S79 PolarHBondContact OD1-OG 3.04Å; S79-R81 VanDerWaalsContact C-N 3.27Å; S79-R81 PolarHBondContact O-N 2.74Å; S79-R81 PolarHBondContact OG-NE 3.27Å; S79-R81 PolarHBondContact OG-NH2 2.94Å
80G87.3Confident91.3Very high67 Ų6761.4 Ų61.469%0.69135%0.352SS*.  trans61.630-177.500000114.2D77 G82D77-G80 PolarHBondContact O-N 2.98Å; D77-G80 PolarHBondContact OD1-N 2.64Å; D77-G80 VanDerWaalsContact OD1-N 3.07Å; G80-G82 VanDerWaalsContact C-N 3.33Å
81R89.4Confident91.2Very high180 Ų18063.3 Ų63.368%0.67936%0.358SS*.SBendtrans-84.3-6.7-177.4-71.2-175.9-67.31781.1113.5D77 S79 C83D77-R81 VanDerWaalsContact CG-N 3.35Å; D77-R81 PolarHBondContact OD1-N 2.66Å; D77-R81 PolarHBondContact OD2-N 3.04Å; S79-R81 VanDerWaalsContact C-N 3.27Å; S79-R81 PolarHBondContact O-N 2.74Å; S79-R81 PolarHBondContact OG-NE 3.27Å; S79-R81 PolarHBondContact OG-NH2 2.94Å; R81-C83 VanDerWaalsContact C-N 3.28Å
82G92.4Very high91.2Very high39 Ų3960.7 Ų60.740%0.40234%0.34SS..SBendtrans7515.2-172.800000113.6D77 G80D77-G82 WeakPolarHBondContact OD2-CA 3.44Å; D77-G82 PolarHBondContact OD2-N 2.84Å; G80-G82 VanDerWaalsContact C-N 3.33Å
83C93.9Very high91.1Very high29 Ų2958.8 Ų58.820%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-151.1139.7-169.1-79.70000111.8D77 R81 L111 I112D77-C83 PolarHBondContact OD2-N 3.32Å; R81-C83 VanDerWaalsContact C-N 3.28Å; C83-L111 HydrophobicContact CB-CB 3.93Å; C83-L111 HydrophobicContact CB-CD1 4.11Å; C83-I112 CarbonylContact C-O 3.39Å; C83-I112 WeakPolarHBondContact CA-O 3.34Å
84I94.5Very high90.7Very high1 Ų162.9 Ų62.91%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-115.6157.617366.4179.5000111.3F73 M76 D77 Q88 I112F73-I84 HydrophobicContact CD2-CD1 4.06Å; F73-I84 HydrophobicContact CD2-CG1 4.46Å; F73-I84 HydrophobicContact CD2-CG2 4.2Å; F73-I84 HydrophobicContact CE1-CG2 4.44Å; F73-I84 HydrophobicContact CE2-CB 4.39Å; F73-I84 HydrophobicContact CE2-CD1 3.98Å; F73-I84 HydrophobicContact CE2-CG1 3.89Å; F73-I84 HydrophobicContact CE2-CG2 3.82Å; F73-I84 HydrophobicContact CZ-CG2 3.96Å; M76-I84 HydrophobicContact CB-CG2 3.78Å; M76-I84 HydrophobicContact CE-CD1 3.66Å; M76-I84 HydrophobicContact SD-CD1 4.21Å; D77-I84 HydrophobicContact CB-CG2 3.93Å; I84-Q88 HydrophobicContact CB-CB 4.27Å; I84-I112 HydrophobicContact CD1-CB 4.5Å; I84-I112 HydrophobicContact CG1-CB 3.79Å; I84-I112 HydrophobicContact CG1-CG2 4.27Å; I84-I112 PolarHBondContact N-O 2.99Å; I84-I112 PolarHBondContact O-N 2.86Å
85S93.3Very high90.2Very high43 Ų4363.2 Ų63.230%0.30135%0.354SS..  trans-72.4156.5174.165.30000111.8V87 Q88 Y89S85-V87 PolarHBondContact O-N 2.91Å; S85-Q88 PolarHBondContact O-N 2.96Å; S85-Q88 VanDerWaalsContact O-N 3.14Å; S85-Q88 WeakPolarHBondContact OG-CG 3.43Å; S85-Q88 PolarHBondContact OG-N 3.4Å; S85-Q88 PolarHBondContact OG-OE1 3.31Å; S85-Y89 PolarHBondContact O-N 3.36Å
86F91.9Very high89.8Confident27 Ų2758.1 Ų58.112%0.11833%0.33CS..Hα-helixtrans-57.3-34.7174.7-177.4-101.4000112.9Y89 K90 L105 N106 D107F86-Y89 AromaticContact CD2-CD1 3.88Å; F86-Y89 HydrophobicContact CD2-CD1 3.88Å; F86-Y89 HydrophobicContact CD2-CE1 4.37Å; F86-Y89 AromaticContact CE2-CD1 3.91Å; F86-Y89 HydrophobicContact CE2-CD1 3.91Å; F86-Y89 HydrophobicContact CE2-CE1 4.01Å; F86-Y89 WeakPolarHBondContact O-CB 3.46Å; F86-Y89 PolarHBondContact O-N 3.01Å; F86-K90 HydrophobicContact CE1-CD 4.45Å; F86-K90 WeakPolarHBondContact O-CB 3.24Å; F86-K90 PolarHBondContact O-N 3.41Å; F86-L105 HydrophobicContact CE2-CB 4.29Å; F86-L105 HydrophobicContact CZ-CB 3.63Å; F86-L105 WeakPolarHBondContact CZ-O 3.29Å; F86-N106 VanDerWaalsContact CE2-O 3.25Å; F86-N106 WeakPolarHBondContact CE2-O 3.3Å; F86-N106 VanDerWaalsContact CZ-C 3.5Å; F86-N106 WeakPolarHBondContact CZ-O 3.43Å; F86-D107 HydrophobicContact CD1-CB 3.59Å; F86-D107 HydrophobicContact CD2-CB 4.18Å; F86-D107 HydrophobicContact CE1-CB 3.7Å; F86-D107 HydrophobicContact CE2-CB 4.28Å; F86-D107 HydrophobicContact CG-CB 3.84Å; F86-D107 HydrophobicContact CZ-CB 4.04Å
87V90.6Very high89.1Confident101 Ų10159 Ų5961%0.61235%0.348SS*.Hα-helixtrans-63-46.5176.4179.80000111.1S85 K90 E91S85-V87 PolarHBondContact O-N 2.91Å; V87-K90 PolarHBondContact O-N 3.27Å; V87-E91 WeakPolarHBondContact O-CG 3.07Å; V87-E91 PolarHBondContact O-N 2.95Å
88Q91.6Very high88.8Confident67 Ų6759.1 Ų59.131%0.31335%0.348SS..Hα-helixtrans-63.9-43.9177.2-70.4166.7-57.400111.4M76 I84 S85 K90 E91 A92M76-Q88 PolarHBondContact O-NE2 3.22Å; M76-Q88 HydrophobicContact SD-CB 4.19Å; I84-Q88 HydrophobicContact CB-CB 4.27Å; S85-Q88 PolarHBondContact O-N 2.96Å; S85-Q88 VanDerWaalsContact O-N 3.14Å; S85-Q88 WeakPolarHBondContact OG-CG 3.43Å; S85-Q88 PolarHBondContact OG-N 3.4Å; S85-Q88 PolarHBondContact OG-OE1 3.31Å; Q88-K90 PolarHBondContact O-N 3.42Å; Q88-E91 PolarHBondContact O-N 2.95Å; Q88-A92 VanDerWaalsContact O-CB 3.31Å; Q88-A92 WeakPolarHBondContact O-CB 3.44Å; Q88-A92 PolarHBondContact O-N 2.95Å
89Y92.4Very high88.5Confident19 Ų1955 Ų558%0.07532%0.319CS..Hα-helixtrans-55.4-48.8174.3163.1-102.9000112.5S85 F86 A92 L93 L105 I112 F117 E120S85-Y89 PolarHBondContact O-N 3.36Å; F86-Y89 AromaticContact CD2-CD1 3.88Å; F86-Y89 HydrophobicContact CD2-CD1 3.88Å; F86-Y89 HydrophobicContact CD2-CE1 4.37Å; F86-Y89 AromaticContact CE2-CD1 3.91Å; F86-Y89 HydrophobicContact CE2-CD1 3.91Å; F86-Y89 HydrophobicContact CE2-CE1 4.01Å; F86-Y89 WeakPolarHBondContact O-CB 3.46Å; F86-Y89 PolarHBondContact O-N 3.01Å; Y89-A92 WeakPolarHBondContact O-CB 3.28Å; Y89-A92 PolarHBondContact O-N 3.3Å; Y89-L93 HydrophobicContact CD2-CD1 4.36Å; Y89-L93 HydrophobicContact CE1-CD1 3.93Å; Y89-L93 HydrophobicContact CE2-CD1 3.7Å; Y89-L93 HydrophobicContact CE2-CG 4.23Å; Y89-L93 VanDerWaalsContact CZ-CD1 3.45Å; Y89-L93 WeakPolarHBondContact O-CG 3.36Å; Y89-L93 PolarHBondContact O-N 2.92Å; Y89-L93 VanDerWaalsContact O-N 3.11Å; Y89-L105 HydrophobicContact CE1-CD1 4.01Å; Y89-I112 HydrophobicContact CD1-CG1 4.41Å; Y89-I112 HydrophobicContact CD2-CG1 4.27Å; Y89-I112 HydrophobicContact CD2-CG2 3.89Å; Y89-I112 HydrophobicContact CE2-CG2 4.45Å; Y89-I112 HydrophobicContact CG-CG1 3.94Å; Y89-I112 HydrophobicContact CG-CG2 4.38Å; Y89-F117 AromaticContact CD2-CD2 3.76Å; Y89-F117 HydrophobicContact CD2-CD2 3.76Å; Y89-F117 HydrophobicContact CD2-CE2 4.32Å; Y89-F117 HydrophobicContact CE2-CD2 4.16Å; Y89-E120 HydrophobicContact CE2-CB 4.46Å; Y89-E120 HydrophobicContact CE2-CG 4.34Å; Y89-E120 WeakPolarHBondContact OH-CG 3.45Å
90K90Very high87.9Confident58 Ų5856.8 Ų56.825%0.25233%0.327SS..Hα-helixtrans-64.1-44.4179.7178.3168.8-174.5175.70112.3F86 V87 Q88 A92 L93 K94 L105F86-K90 HydrophobicContact CE1-CD 4.45Å; F86-K90 WeakPolarHBondContact O-CB 3.24Å; F86-K90 PolarHBondContact O-N 3.41Å; V87-K90 PolarHBondContact O-N 3.27Å; Q88-K90 PolarHBondContact O-N 3.42Å; K90-A92 VanDerWaalsContact C-N 3.34Å; K90-L93 PolarHBondContact O-N 2.99Å; K90-K94 WeakPolarHBondContact O-CG 3.3Å; K90-K94 PolarHBondContact O-N 3.11Å; K90-K94 VanDerWaalsContact O-N 3.13Å; K90-L105 HydrophobicContact CB-CD1 4.21Å; K90-L105 HydrophobicContact CG-CD1 4.03Å
91E88.5Confident87Confident83 Ų8358.6 Ų58.639%0.38834%0.336SS..Hα-helixtrans-66.9-36.3178.2-70.7-57.8122.800112V87 Q88 K94 N95V87-E91 WeakPolarHBondContact O-CG 3.07Å; V87-E91 PolarHBondContact O-N 2.95Å; Q88-E91 PolarHBondContact O-N 2.95Å; E91-K94 PolarHBondContact O-N 3.3Å; E91-K94 IonicContact OE1-NZ 3.78Å; E91-K94 PolarHBondContact OE1-NZ 3.01Å; E91-N95 WeakPolarHBondContact O-CB 3.48Å; E91-N95 VanDerWaalsContact O-CG 3.25Å; E91-N95 PolarHBondContact O-N 3.22Å; E91-N95 PolarHBondContact O-ND2 3.4Å
92A89.1Confident86.3Confident4 Ų457.1 Ų57.13%0.03334%0.341CS..Hα-helixtrans-58.7-51.8173.100000111.6M72 M76 Q88 Y89 K90 K94 N95 L96 F117M72-A92 HydrophobicContact CE-CB 3.76Å; M76-A92 HydrophobicContact CE-CB 3.88Å; M76-A92 HydrophobicContact SD-CB 3.67Å; Q88-A92 VanDerWaalsContact O-CB 3.31Å; Q88-A92 WeakPolarHBondContact O-CB 3.44Å; Q88-A92 PolarHBondContact O-N 2.95Å; Y89-A92 WeakPolarHBondContact O-CB 3.28Å; Y89-A92 PolarHBondContact O-N 3.3Å; K90-A92 VanDerWaalsContact C-N 3.34Å; A92-K94 VanDerWaalsContact C-N 3.31Å; A92-K94 PolarHBondContact O-N 2.9Å; A92-N95 PolarHBondContact O-N 3.41Å; A92-L96 VanDerWaalsContact O-CG 3.26Å; A92-L96 WeakPolarHBondContact O-CG 3.44Å; A92-L96 PolarHBondContact O-N 3.4Å; A92-F117 HydrophobicContact CB-CE2 3.99Å; A92-F117 HydrophobicContact CB-CZ 4.07Å
93L88.5Confident85.7Confident0 Ų058.1 Ų58.10%034%0.336CS..Hα-helixtrans-60.9-38.9179.5-67.1179.5000112.5Y89 K90 L96 G97 L98 C99 L105 F117 E120 V121Y89-L93 HydrophobicContact CD2-CD1 4.36Å; Y89-L93 HydrophobicContact CE1-CD1 3.93Å; Y89-L93 HydrophobicContact CE2-CD1 3.7Å; Y89-L93 HydrophobicContact CE2-CG 4.23Å; Y89-L93 VanDerWaalsContact CZ-CD1 3.45Å; Y89-L93 WeakPolarHBondContact O-CG 3.36Å; Y89-L93 PolarHBondContact O-N 2.92Å; Y89-L93 VanDerWaalsContact O-N 3.11Å; K90-L93 PolarHBondContact O-N 2.99Å; L93-L96 PolarHBondContact O-N 3.33Å; L93-G97 PolarHBondContact O-N 3.37Å; L93-L98 HydrophobicContact CB-CB 4.46Å; L93-L98 HydrophobicContact CD2-CB 4.25Å; L93-L98 HydrophobicContact CD2-CD1 4.09Å; L93-L98 PolarHBondContact O-N 3.06Å; L93-C99 WeakPolarHBondContact CB-SG 3.4Å; L93-L105 HydrophobicContact CD1-CD1 3.95Å; L93-F117 HydrophobicContact CD2-CE2 4.27Å; L93-E120 HydrophobicContact CD1-CG 4.32Å; L93-V121 HydrophobicContact CD2-CG2 3.9Å
94K85.3Confident85Confident95 Ų9562.1 Ų62.141%0.41336%0.359SS..Hα-helixtrans-62.5-46.6173.8-73.4176.3-177.8172.70112.5K90 E91 A92 L96 G97 C99K90-K94 WeakPolarHBondContact O-CG 3.3Å; K90-K94 PolarHBondContact O-N 3.11Å; K90-K94 VanDerWaalsContact O-N 3.13Å; E91-K94 PolarHBondContact O-N 3.3Å; E91-K94 IonicContact OE1-NZ 3.78Å; E91-K94 PolarHBondContact OE1-NZ 3.01Å; A92-K94 VanDerWaalsContact C-N 3.31Å; A92-K94 PolarHBondContact O-N 2.9Å; K94-L96 PolarHBondContact O-N 2.92Å; K94-G97 PolarHBondContact O-N 3.27Å; K94-C99 HydrophobicContact CG-CB 4.04Å
95N82.5Confident84.5Confident131 Ų13163.1 Ų63.170%0.70136%0.364SS*.Hα-helixtrans-63.7-27.8-179.8-73-24000112.4E91 A92 G97E91-N95 WeakPolarHBondContact O-CB 3.48Å; E91-N95 VanDerWaalsContact O-CG 3.25Å; E91-N95 PolarHBondContact O-N 3.22Å; E91-N95 PolarHBondContact O-ND2 3.4Å; A92-N95 PolarHBondContact O-N 3.41Å; N95-G97 VanDerWaalsContact C-N 3.28Å
96L82.4Confident84Confident52 Ų5267.7 Ų67.727%0.27239%0.385SS..THydrogen-bonded Turntrans-82.1-2.8173.6-61.4176.9000114M64 M72 A92 L93 K94 L98 V121M64-L96 HydrophobicContact CE-CD1 3.58Å; M64-L96 HydrophobicContact CE-CD2 3.09Å; M64-L96 HydrophobicContact CE-CG 3.91Å; M64-L96 HydrophobicContact CG-CD2 4.44Å; M72-L96 HydrophobicContact CE-CD1 3.69Å; M72-L96 HydrophobicContact CE-CD2 4.39Å; M72-L96 HydrophobicContact CE-CG 4.17Å; M72-L96 HydrophobicContact SD-CD1 4.45Å; M72-L96 HydrophobicContact SD-CD2 4.06Å; M72-L96 HydrophobicContact SD-CG 4.38Å; A92-L96 VanDerWaalsContact O-CG 3.26Å; A92-L96 WeakPolarHBondContact O-CG 3.44Å; A92-L96 PolarHBondContact O-N 3.4Å; L93-L96 PolarHBondContact O-N 3.33Å; K94-L96 PolarHBondContact O-N 2.92Å; L96-L98 HydrophobicContact CB-CB 4.42Å; L96-L98 HydrophobicContact CB-CD1 3.77Å; L96-L98 HydrophobicContact CB-CG 3.67Å; L96-L98 HydrophobicContact CD1-CD1 3.75Å; L96-L98 HydrophobicContact CG-CD1 4.46Å; L96-L98 PolarHBondContact O-N 3.36Å; L96-V121 HydrophobicContact CD1-CG1 4.48Å; L96-V121 HydrophobicContact CD1-CG2 4.13Å
97G80.3Confident83.6Confident51 Ų5171 Ų7153%0.52640%0.404SS..THydrogen-bonded Turntrans66.322.6-173.900000113.1L93 K94 N95L93-G97 PolarHBondContact O-N 3.37Å; K94-G97 PolarHBondContact O-N 3.27Å; N95-G97 VanDerWaalsContact C-N 3.28Å
98L85.2Confident83.1Confident16 Ų1670.2 Ų70.28%0.08440%0.396CS..  trans-941-178.9-59.4178.5000112.9L93 L96 V121 R124 I128L93-L98 HydrophobicContact CB-CB 4.46Å; L93-L98 HydrophobicContact CD2-CB 4.25Å; L93-L98 HydrophobicContact CD2-CD1 4.09Å; L93-L98 PolarHBondContact O-N 3.06Å; L96-L98 HydrophobicContact CB-CB 4.42Å; L96-L98 HydrophobicContact CB-CD1 3.77Å; L96-L98 HydrophobicContact CB-CG 3.67Å; L96-L98 HydrophobicContact CD1-CD1 3.75Å; L96-L98 HydrophobicContact CG-CD1 4.46Å; L96-L98 PolarHBondContact O-N 3.36Å; L98-V121 HydrophobicContact CD1-CB 4.26Å; L98-V121 HydrophobicContact CD1-CG1 3.89Å; L98-V121 HydrophobicContact CD1-CG2 4.15Å; L98-R124 HydrophobicContact CB-CB 4.2Å; L98-R124 HydrophobicContact CD2-CB 4.28Å; L98-R124 WeakPolarHBondContact O-CD 3.47Å; L98-R124 PolarHBondContact O-NH1 2.87Å; L98-I128 HydrophobicContact CD2-CD1 3.56Å
99C81.3Confident82.5Confident29 Ų2970.1 Ų70.120%0.19641%0.414CS..SBendtrans-110.2140171.3-70.10000110.3L93 K94 E103L93-C99 WeakPolarHBondContact CB-SG 3.4Å; K94-C99 HydrophobicContact CG-CB 4.04Å; C99-E103 WeakPolarHBondContact CA-OE2 3.41Å
100T75.3Confident82.2Confident100 Ų10073.8 Ų73.861%0.61344%0.435SS*.  trans-78.5156.8167.770.90000110.4D102 E103T100-D102 PolarHBondContact O-N 2.87Å; T100-D102 VanDerWaalsContact O-N 3.13Å; T100-E103 PolarHBondContact N-OE2 3.3Å; T100-E103 PolarHBondContact O-N 3.36Å; T100-E103 VanDerWaalsContact O-N 3.16Å; T100-E103 WeakPolarHBondContact OG1-CB 3.38Å
101A69.8Low82.1Confident105 Ų10575.9 Ų75.987%0.86845%0.448SS*.THydrogen-bonded Turntrans-58.4-28.9-174.900000113.4
102D74.8Confident82.4Confident150 Ų15072 Ų7280%0.80243%0.43SS*.THydrogen-bonded Turntrans-104.76.9-176-55.8-52.1000113.2T100 V104T100-D102 PolarHBondContact O-N 2.87Å; T100-D102 VanDerWaalsContact O-N 3.13Å; D102-V104 PolarHBondContact O-N 3.37Å
103E79.8Confident82.7Confident60 Ų6074.6 Ų74.628%0.2845%0.445SS..  trans-75.3121.7-175-166.7174.7-178.600112.9C99 T100 L105 R124C99-E103 WeakPolarHBondContact CA-OE2 3.41Å; T100-E103 PolarHBondContact N-OE2 3.3Å; T100-E103 PolarHBondContact O-N 3.36Å; T100-E103 VanDerWaalsContact O-N 3.16Å; T100-E103 WeakPolarHBondContact OG1-CB 3.38Å; E103-L105 HydrophobicContact CG-CD2 4.12Å; E103-L105 WeakPolarHBondContact OE1-CD2 3.43Å; E103-R124 IonicContact OE1-CZ 3.75Å; E103-R124 IonicContact OE1-NH1 3.38Å; E103-R124 PolarHBondContact OE1-NH1 3.38Å; E103-R124 IonicContact OE1-NH2 2.9Å; E103-R124 PolarHBondContact OE1-NH2 3.16Å; E103-R124 IonicContact OE2-CZ 3.92Å; E103-R124 IonicContact OE2-NH1 3.68Å; E103-R124 PolarHBondContact OE2-NH1 2.91Å; E103-R124 IonicContact OE2-NH2 3.55Å
104V78.9Confident82.9Confident113 Ų11377 Ų7769%0.68546%0.458SS*.  trans-98.299.3171.5-174.20000109.3D102D102-V104 PolarHBondContact O-N 3.37Å
105L83.1Confident83.3Confident22 Ų2276.5 Ų76.512%0.11546%0.46CS..PPolyproline II helixtrans-72.5129.2167.5-58.7179.2000109.4F86 Y89 K90 L93 E103 R124F86-L105 HydrophobicContact CE2-CB 4.29Å; F86-L105 HydrophobicContact CZ-CB 3.63Å; F86-L105 WeakPolarHBondContact CZ-O 3.29Å; Y89-L105 HydrophobicContact CE1-CD1 4.01Å; K90-L105 HydrophobicContact CB-CD1 4.21Å; K90-L105 HydrophobicContact CG-CD1 4.03Å; L93-L105 HydrophobicContact CD1-CD1 3.95Å; E103-L105 HydrophobicContact CG-CD2 4.12Å; E103-L105 WeakPolarHBondContact OE1-CD2 3.43Å; L105-R124 VanDerWaalsContact CD2-NH2 3.29Å
106N82.1Confident83.7Confident139 Ų13974.1 Ų74.174%0.74344%0.443SS*.PPolyproline II helixtrans-85.8131.4176.4-64.9-43.5000110.5F86F86-N106 VanDerWaalsContact CE2-O 3.25Å; F86-N106 WeakPolarHBondContact CE2-O 3.3Å; F86-N106 VanDerWaalsContact CZ-C 3.5Å; F86-N106 WeakPolarHBondContact CZ-O 3.43Å
107D83.7Confident84.2Confident96 Ų9671.6 Ų71.651%0.51343%0.43SS..PPolyproline II helixtrans-85.1116.1172.1-168.7-4.4000108.9F86 G109F86-D107 HydrophobicContact CD1-CB 3.59Å; F86-D107 HydrophobicContact CD2-CB 4.18Å; F86-D107 HydrophobicContact CE1-CB 3.7Å; F86-D107 HydrophobicContact CE2-CB 4.28Å; F86-D107 HydrophobicContact CG-CB 3.84Å; F86-D107 HydrophobicContact CZ-CB 4.04Å; D107-G109 WeakPolarHBondContact OD1-CA 3.26Å; D107-G109 PolarHBondContact OD1-N 2.93Å
108D81.3Confident84.7Confident84 Ų8472.5 Ų72.545%0.44942%0.417SS..  trans-84.53.6174.962.7-10.9000112.4N110 K116D108-N110 PolarHBondContact O-N 3.31Å; D108-N110 WeakPolarHBondContact OD1-CB 3.44Å; D108-N110 PolarHBondContact OD1-N 3.38Å; D108-N110 PolarHBondContact OD2-ND2 2.76Å; D108-N110 VanDerWaalsContact OD2-ND2 3.12Å; D108-K116 IonicContact OD1-NZ 2.86Å; D108-K116 IonicContact OD2-NZ 2.76Å; D108-K116 PolarHBondContact OD2-NZ 3.07Å
109G79.3Confident84.9Confident66 Ų6675.9 Ų75.968%0.6844%0.436SS*.SBendtrans75.20.5-177.100000113.6D107D107-G109 WeakPolarHBondContact OD1-CA 3.26Å; D107-G109 PolarHBondContact OD1-N 2.93Å
110N84.8Confident85.3Confident96 Ų9676.1 Ų76.151%0.51343%0.434SS..PPolyproline II helixtrans-92.8141.7-179.1-64.4-44.4000110.9D108D108-N110 PolarHBondContact O-N 3.31Å; D108-N110 WeakPolarHBondContact OD1-CB 3.44Å; D108-N110 PolarHBondContact OD1-N 3.38Å; D108-N110 PolarHBondContact OD2-ND2 2.76Å; D108-N110 VanDerWaalsContact OD2-ND2 3.12Å
111L89.3Confident85.9Confident102 Ų10271.3 Ų71.353%0.53441%0.405SS..PPolyproline II helixtrans-64.9147.5168.4-65.6173.8000110.5C83C83-L111 HydrophobicContact CB-CB 3.93Å; C83-L111 HydrophobicContact CB-CD1 4.11Å
112I93.7Very high86.7Confident2 Ų268.8 Ų68.81%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-96.5119.7-177.5-52.8-60000109.2C83 I84 Y89 K116 F117C83-I112 CarbonylContact C-O 3.39Å; C83-I112 WeakPolarHBondContact CA-O 3.34Å; I84-I112 HydrophobicContact CD1-CB 4.5Å; I84-I112 HydrophobicContact CG1-CB 3.79Å; I84-I112 HydrophobicContact CG1-CG2 4.27Å; I84-I112 PolarHBondContact N-O 2.99Å; I84-I112 PolarHBondContact O-N 2.86Å; Y89-I112 HydrophobicContact CD1-CG1 4.41Å; Y89-I112 HydrophobicContact CD2-CG1 4.27Å; Y89-I112 HydrophobicContact CD2-CG2 3.89Å; Y89-I112 HydrophobicContact CE2-CG2 4.45Å; Y89-I112 HydrophobicContact CG-CG1 3.94Å; Y89-I112 HydrophobicContact CG-CG2 4.38Å; I112-K116 HydrophobicContact CD1-CD 3.78Å; I112-K116 HydrophobicContact CG2-CB 4.22Å; I112-K116 HydrophobicContact CG2-CD 4.41Å; I112-K116 HydrophobicContact CG2-CG 4.3Å; I112-F117 HydrophobicContact CG2-CB 4.03Å
113T94.9Very high87.2Confident57 Ų5766.1 Ų66.135%0.3536%0.355SS..EExtended strand (participates in β ladder)trans-80.9164.1174.561.60000111.3F73 D115 K116 F117F73-T113 VanDerWaalsContact CE2-C 3.48Å; T113-D115 VanDerWaalsContact C-N 3.27Å; T113-D115 PolarHBondContact O-N 2.7Å; T113-K116 PolarHBondContact O-N 3.34Å; T113-K116 PolarHBondContact OG1-N 2.7Å; T113-F117 WeakPolarHBondContact O-CB 3.36Å; T113-F117 PolarHBondContact O-N 2.94Å
114L93.3Very high87.5Confident50 Ų5064 Ų6426%0.26234%0.344SS..Hα-helixtrans-56-42.7174.5173.461.6000112V70 F73 F117 R118V70-L114 HydrophobicContact CG2-CD1 4.16Å; V70-L114 HydrophobicContact CG2-CD2 4.18Å; F73-L114 HydrophobicContact CB-CD1 3.64Å; F73-L114 HydrophobicContact CD1-CB 4.02Å; F73-L114 HydrophobicContact CD1-CD1 4.08Å; F73-L114 HydrophobicContact CD2-CB 4.27Å; F73-L114 HydrophobicContact CD2-CD1 4.13Å; F73-L114 HydrophobicContact CE1-CB 3.97Å; F73-L114 HydrophobicContact CE2-CB 4.2Å; F73-L114 VanDerWaalsContact CE2-N 3.34Å; F73-L114 HydrophobicContact CG-CB 4.17Å; F73-L114 HydrophobicContact CG-CD1 3.68Å; F73-L114 HydrophobicContact CZ-CB 4.05Å; F73-L114 VanDerWaalsContact CZ-N 3.31Å; L114-F117 PolarHBondContact O-N 2.68Å; L114-R118 VanDerWaalsContact O-CB 3.28Å; L114-R118 WeakPolarHBondContact O-CB 3.42Å; L114-R118 PolarHBondContact O-N 2.9Å
115D92.7Very high87.5Confident85 Ų8560 Ų6046%0.45532%0.32SS..Hα-helixtrans-63.9-48.3179.1-68.1-44.7000111.4T113 F117 R118 D119T113-D115 VanDerWaalsContact C-N 3.27Å; T113-D115 PolarHBondContact O-N 2.7Å; D115-F117 VanDerWaalsContact C-N 3.27Å; D115-F117 PolarHBondContact O-N 2.75Å; D115-R118 PolarHBondContact O-N 3.02Å; D115-R118 IonicContact OD1-CZ 3.79Å; D115-R118 VanDerWaalsContact OD1-CZ 3.24Å; D115-R118 IonicContact OD1-NH1 2.91Å; D115-R118 PolarHBondContact OD1-NH1 2.73Å; D115-R118 VanDerWaalsContact OD1-NH1 3.16Å; D115-R118 IonicContact OD1-NH2 2.7Å; D115-R118 PolarHBondContact OD1-NH2 2.89Å; D115-D119 WeakPolarHBondContact O-CB 3.49Å; D115-D119 PolarHBondContact O-N 2.81Å
116K92.4Very high87.1Confident81 Ų8163.2 Ų63.235%0.35234%0.335SS..Hα-helixtrans-59.6-40.2176.9-173.2175.7179.8-177.30111.2D108 I112 T113 E120D108-K116 IonicContact OD1-NZ 2.86Å; D108-K116 IonicContact OD2-NZ 2.76Å; D108-K116 PolarHBondContact OD2-NZ 3.07Å; I112-K116 HydrophobicContact CD1-CD 3.78Å; I112-K116 HydrophobicContact CG2-CB 4.22Å; I112-K116 HydrophobicContact CG2-CD 4.41Å; I112-K116 HydrophobicContact CG2-CG 4.3Å; T113-K116 PolarHBondContact O-N 3.34Å; T113-K116 PolarHBondContact OG1-N 2.7Å; K116-E120 WeakPolarHBondContact O-CB 3.41Å; K116-E120 PolarHBondContact O-N 2.85Å
117F92.2Very high87Confident0 Ų061.2 Ų61.20%032%0.321CS..Hα-helixtrans-66.1-48.7177.4-179.3-117.7000112.5I69 M72 F73 M76 Y89 A92 L93 I112 T113 L114 D115 E120 V121I69-F117 HydrophobicContact CG2-CD1 3.93Å; I69-F117 HydrophobicContact CG2-CE1 3.92Å; M72-F117 HydrophobicContact CE-CE1 3.69Å; M72-F117 HydrophobicContact CE-CE2 4.35Å; M72-F117 HydrophobicContact CE-CZ 3.23Å; F73-F117 HydrophobicContact CB-CD1 4.2Å; F73-F117 HydrophobicContact CD2-CB 3.99Å; F73-F117 AromaticContact CD2-CD1 3.91Å; F73-F117 HydrophobicContact CD2-CD1 3.91Å; F73-F117 HydrophobicContact CD2-CG 4.14Å; F73-F117 HydrophobicContact CE2-CB 4.29Å; M76-F117 HydrophobicContact CE-CE1 4.19Å; M76-F117 HydrophobicContact CE-CZ 4.17Å; Y89-F117 AromaticContact CD2-CD2 3.76Å; Y89-F117 HydrophobicContact CD2-CD2 3.76Å; Y89-F117 HydrophobicContact CD2-CE2 4.32Å; Y89-F117 HydrophobicContact CE2-CD2 4.16Å; A92-F117 HydrophobicContact CB-CE2 3.99Å; A92-F117 HydrophobicContact CB-CZ 4.07Å; L93-F117 HydrophobicContact CD2-CE2 4.27Å; I112-F117 HydrophobicContact CG2-CB 4.03Å; T113-F117 WeakPolarHBondContact O-CB 3.36Å; T113-F117 PolarHBondContact O-N 2.94Å; L114-F117 PolarHBondContact O-N 2.68Å; D115-F117 VanDerWaalsContact C-N 3.27Å; D115-F117 PolarHBondContact O-N 2.75Å; F117-E120 PolarHBondContact O-N 3.42Å; F117-V121 HydrophobicContact CD2-CG2 4.19Å; F117-V121 HydrophobicContact CE1-CG2 4.07Å; F117-V121 HydrophobicContact CE2-CG2 3.65Å; F117-V121 HydrophobicContact CZ-CG2 3.54Å; F117-V121 WeakPolarHBondContact O-CG2 3.31Å; F117-V121 PolarHBondContact O-N 3.44Å
118R90.6Very high86.4Confident69 Ų6959.7 Ų59.726%0.2631%0.312SS..Hα-helixtrans-61.3-47.2-179.9178.4-170.266.9-143.9-9.3111.6N66 I69 L114 D115 E120 V121 N122N66-R118 WeakPolarHBondContact OD1-CD 3.39Å; I69-R118 HydrophobicContact CD1-CG 4.29Å; I69-R118 HydrophobicContact CG2-CB 3.91Å; I69-R118 HydrophobicContact CG2-CG 4.16Å; L114-R118 VanDerWaalsContact O-CB 3.28Å; L114-R118 WeakPolarHBondContact O-CB 3.42Å; L114-R118 PolarHBondContact O-N 2.9Å; D115-R118 PolarHBondContact O-N 3.02Å; D115-R118 IonicContact OD1-CZ 3.79Å; D115-R118 VanDerWaalsContact OD1-CZ 3.24Å; D115-R118 IonicContact OD1-NH1 2.91Å; D115-R118 PolarHBondContact OD1-NH1 2.73Å; D115-R118 VanDerWaalsContact OD1-NH1 3.16Å; D115-R118 IonicContact OD1-NH2 2.7Å; D115-R118 PolarHBondContact OD1-NH2 2.89Å; R118-E120 VanDerWaalsContact C-N 3.28Å; R118-E120 PolarHBondContact O-N 3.03Å; R118-V121 PolarHBondContact O-N 3.18Å; R118-N122 WeakPolarHBondContact O-CB 3.4Å; R118-N122 PolarHBondContact O-N 3.34Å; R118-N122 PolarHBondContact O-ND2 3.38Å
119D90.1Very high85.6Confident87 Ų8758.8 Ų58.847%0.46530%0.302SS..Hα-helixtrans-64-38.9-176.2-64.8-7.4000110.4D115 R123D115-D119 WeakPolarHBondContact O-CB 3.49Å; D115-D119 PolarHBondContact O-N 2.81Å; D119-R123 VanDerWaalsContact O-CB 3.3Å; D119-R123 WeakPolarHBondContact O-CB 3.5Å; D119-R123 PolarHBondContact O-N 3Å
120E90.3Very high84.9Confident34 Ų3462 Ų6216%0.15930%0.303CS..Hα-helixtrans-68.4-44.4175.2-175.472.917500113.1Y89 L93 K116 F117 R118 N122 R123 R124Y89-E120 HydrophobicContact CE2-CB 4.46Å; Y89-E120 HydrophobicContact CE2-CG 4.34Å; Y89-E120 WeakPolarHBondContact OH-CG 3.45Å; L93-E120 HydrophobicContact CD1-CG 4.32Å; K116-E120 WeakPolarHBondContact O-CB 3.41Å; K116-E120 PolarHBondContact O-N 2.85Å; F117-E120 PolarHBondContact O-N 3.42Å; R118-E120 VanDerWaalsContact C-N 3.28Å; R118-E120 PolarHBondContact O-N 3.03Å; E120-N122 VanDerWaalsContact C-N 3.28Å; E120-N122 PolarHBondContact O-N 3.36Å; E120-R123 PolarHBondContact O-N 3.19Å; E120-R123 IonicContact OE1-CZ 3.56Å; E120-R123 IonicContact OE1-NE 2.74Å; E120-R123 IonicContact OE1-NH2 2.64Å; E120-R123 PolarHBondContact OE1-NH2 3.28Å; E120-R123 IonicContact OE2-CZ 3.7Å; E120-R123 IonicContact OE2-NE 3.24Å; E120-R123 PolarHBondContact OE2-NE 2.88Å; E120-R123 IonicContact OE2-NH2 3.91Å; E120-R123 PolarHBondContact OE2-NH2 2.95Å; E120-R124 HydrophobicContact CG-CG 4.37Å; E120-R124 WeakPolarHBondContact O-CG 3.47Å; E120-R124 PolarHBondContact O-N 2.99Å; E120-R124 IonicContact OE1-CZ 2.99Å; E120-R124 VanDerWaalsContact OE1-CZ 3.28Å; E120-R124 IonicContact OE1-NE 2.76Å; E120-R124 PolarHBondContact OE1-NE 3.37Å; E120-R124 IonicContact OE1-NH2 3.65Å; E120-R124 PolarHBondContact OE1-NH2 3.11Å
121V88.1Confident83.9Confident0 Ų063.7 Ų63.70%031%0.312CS..Hα-helixtrans-57.9-45.1176.7167.60000110.1M64 I69 L93 L96 L98 F117 R118 T125M64-V121 HydrophobicContact CB-CG1 4.44Å; M64-V121 HydrophobicContact CG-CG1 4.39Å; I69-V121 HydrophobicContact CD1-CB 4.24Å; I69-V121 HydrophobicContact CD1-CG1 3.71Å; I69-V121 HydrophobicContact CG1-CG1 4.01Å; L93-V121 HydrophobicContact CD2-CG2 3.9Å; L96-V121 HydrophobicContact CD1-CG1 4.48Å; L96-V121 HydrophobicContact CD1-CG2 4.13Å; L98-V121 HydrophobicContact CD1-CB 4.26Å; L98-V121 HydrophobicContact CD1-CG1 3.89Å; L98-V121 HydrophobicContact CD1-CG2 4.15Å; F117-V121 HydrophobicContact CD2-CG2 4.19Å; F117-V121 HydrophobicContact CE1-CG2 4.07Å; F117-V121 HydrophobicContact CE2-CG2 3.65Å; F117-V121 HydrophobicContact CZ-CG2 3.54Å; F117-V121 WeakPolarHBondContact O-CG2 3.31Å; F117-V121 PolarHBondContact O-N 3.44Å; R118-V121 PolarHBondContact O-N 3.18Å; V121-T125 VanDerWaalsContact O-CB 3.24Å; V121-T125 WeakPolarHBondContact O-CB 3.37Å; V121-T125 PolarHBondContact O-N 3.38Å; V121-T125 PolarHBondContact O-OG1 2.86Å
122N84.6Confident82.1Confident52 Ų5263.8 Ų63.828%0.27831%0.308SS..Hα-helixtrans-63.5-47.7178.2-74.3-27.1000111.6R118 E120 R124 T125 E126R118-N122 WeakPolarHBondContact O-CB 3.4Å; R118-N122 PolarHBondContact O-N 3.34Å; R118-N122 PolarHBondContact O-ND2 3.38Å; E120-N122 VanDerWaalsContact C-N 3.28Å; E120-N122 PolarHBondContact O-N 3.36Å; N122-R124 PolarHBondContact O-N 2.89Å; N122-T125 PolarHBondContact O-N 3.13Å; N122-E126 WeakPolarHBondContact O-CB 3.44Å; N122-E126 PolarHBondContact O-N 3.36Å
123R86.8Confident81.5Confident93 Ų9366.9 Ų66.935%0.35132%0.323SS..Hα-helixtrans-57.4-49.8179-172.2-168.570.370.85.8111.9D119 E120 E126 E127D119-R123 VanDerWaalsContact O-CB 3.3Å; D119-R123 WeakPolarHBondContact O-CB 3.5Å; D119-R123 PolarHBondContact O-N 3Å; E120-R123 PolarHBondContact O-N 3.19Å; E120-R123 IonicContact OE1-CZ 3.56Å; E120-R123 IonicContact OE1-NE 2.74Å; E120-R123 IonicContact OE1-NH2 2.64Å; E120-R123 PolarHBondContact OE1-NH2 3.28Å; E120-R123 IonicContact OE2-CZ 3.7Å; E120-R123 IonicContact OE2-NE 3.24Å; E120-R123 PolarHBondContact OE2-NE 2.88Å; E120-R123 IonicContact OE2-NH2 3.91Å; E120-R123 PolarHBondContact OE2-NH2 2.95Å; R123-E126 WeakPolarHBondContact O-CB 3.43Å; R123-E126 PolarHBondContact O-N 3.49Å; R123-E127 IonicContact CZ-OE1 2.7Å; R123-E127 IonicContact CZ-OE2 3.98Å; R123-E127 IonicContact NH1-OE1 3.21Å; R123-E127 PolarHBondContact NH1-OE1 3.01Å; R123-E127 IonicContact NH1-OE2 2.89Å; R123-E127 PolarHBondContact NH1-OE2 3.39Å; R123-E127 IonicContact NH2-OE2 2.75Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 3.35Å
124R85.1Confident80.8Confident15 Ų1567.4 Ų67.46%0.05732%0.322CS..Hα-helixtrans-66.8-38.6179-70.2176.6175.1-94.4-14.9112.6L98 E103 L105 E120 N122 E126 E127 I128L98-R124 HydrophobicContact CB-CB 4.2Å; L98-R124 HydrophobicContact CD2-CB 4.28Å; L98-R124 WeakPolarHBondContact O-CD 3.47Å; L98-R124 PolarHBondContact O-NH1 2.87Å; E103-R124 IonicContact OE1-CZ 3.75Å; E103-R124 IonicContact OE1-NH1 3.38Å; E103-R124 PolarHBondContact OE1-NH1 3.38Å; E103-R124 IonicContact OE1-NH2 2.9Å; E103-R124 PolarHBondContact OE1-NH2 3.16Å; E103-R124 IonicContact OE2-CZ 3.92Å; E103-R124 IonicContact OE2-NH1 3.68Å; E103-R124 PolarHBondContact OE2-NH1 2.91Å; E103-R124 IonicContact OE2-NH2 3.55Å; L105-R124 VanDerWaalsContact CD2-NH2 3.29Å; E120-R124 HydrophobicContact CG-CG 4.37Å; E120-R124 WeakPolarHBondContact O-CG 3.47Å; E120-R124 PolarHBondContact O-N 2.99Å; E120-R124 IonicContact OE1-CZ 2.99Å; E120-R124 VanDerWaalsContact OE1-CZ 3.28Å; E120-R124 IonicContact OE1-NE 2.76Å; E120-R124 PolarHBondContact OE1-NE 3.37Å; E120-R124 IonicContact OE1-NH2 3.65Å; E120-R124 PolarHBondContact OE1-NH2 3.11Å; N122-R124 PolarHBondContact O-N 2.89Å; R124-E126 VanDerWaalsContact C-N 3.27Å; R124-E126 PolarHBondContact O-N 2.86Å; R124-E127 PolarHBondContact O-N 3.25Å; R124-I128 WeakPolarHBondContact O-CG1 3.32Å; R124-I128 PolarHBondContact O-N 3.04Å
125T79.3Confident80.1Confident29 Ų2968.3 Ų68.318%0.17833%0.325CS..Hα-helixtrans-60.9-40.8174.8-59.30000110.7V121 N122 W129V121-T125 VanDerWaalsContact O-CB 3.24Å; V121-T125 WeakPolarHBondContact O-CB 3.37Å; V121-T125 PolarHBondContact O-N 3.38Å; V121-T125 PolarHBondContact O-OG1 2.86Å; N122-T125 PolarHBondContact O-N 3.13Å; T125-W129 PolarHBondContact O-N 3.38Å
126E75.8Confident79.4Confident90 Ų9067.4 Ų67.442%0.42132%0.317SS..Hα-helixtrans-64.4-45.3174.9-169.9171.5-163.300112.3T59 N122 R123 R124 I128 W129 L130T59-E126 HydrophobicContact CG2-CB 3.58Å; T59-E126 HydrophobicContact CG2-CG 3.74Å; N122-E126 WeakPolarHBondContact O-CB 3.44Å; N122-E126 PolarHBondContact O-N 3.36Å; R123-E126 WeakPolarHBondContact O-CB 3.43Å; R123-E126 PolarHBondContact O-N 3.49Å; R124-E126 VanDerWaalsContact C-N 3.27Å; R124-E126 PolarHBondContact O-N 2.86Å; E126-I128 PolarHBondContact O-N 3.46Å; E126-W129 WeakPolarHBondContact O-CA 3.48Å; E126-W129 WeakPolarHBondContact O-CB 3.47Å; E126-W129 PolarHBondContact O-N 2.91Å; E126-W129 VanDerWaalsContact O-N 3.09Å; E126-L130 WeakPolarHBondContact O-CG 3.25Å; E126-L130 PolarHBondContact O-N 3.14Å
127E78.1Confident78.6Confident98 Ų9866.5 Ų66.546%0.45832%0.315SS..Hα-helixtrans-59-45.7176.2-73.6179.1160.200112.5R123 R124 W129 L130 L131R123-E127 IonicContact CZ-OE1 2.7Å; R123-E127 IonicContact CZ-OE2 3.98Å; R123-E127 IonicContact NH1-OE1 3.21Å; R123-E127 PolarHBondContact NH1-OE1 3.01Å; R123-E127 IonicContact NH1-OE2 2.89Å; R123-E127 PolarHBondContact NH1-OE2 3.39Å; R123-E127 IonicContact NH2-OE2 2.75Å; R123-E127 WeakPolarHBondContact O-CG 3.43Å; R123-E127 PolarHBondContact O-N 3.35Å; R124-E127 PolarHBondContact O-N 3.25Å; E127-W129 VanDerWaalsContact C-N 3.26Å; E127-W129 PolarHBondContact O-N 3.42Å; E127-L130 PolarHBondContact O-N 3.12Å; E127-L131 PolarHBondContact O-N 3.29Å
128I71.4Confident77.7Confident63 Ų6370.9 Ų70.932%0.32334%0.336SS..Hα-helixtrans-59.2-42.8175-71.4171000109.9L98 R124 E126 L131 F132L98-I128 HydrophobicContact CD2-CD1 3.56Å; R124-I128 WeakPolarHBondContact O-CG1 3.32Å; R124-I128 PolarHBondContact O-N 3.04Å; E126-I128 PolarHBondContact O-N 3.46Å; I128-L131 WeakPolarHBondContact O-CB 3.44Å; I128-L131 PolarHBondContact O-N 3.24Å; I128-F132 HydrophobicContact CG2-CE2 3.79Å; I128-F132 WeakPolarHBondContact O-CD2 3.32Å; I128-F132 VanDerWaalsContact O-CE2 3.29Å; I128-F132 WeakPolarHBondContact O-CE2 3.45Å
129W64.8Low76.8Confident65 Ų6571.1 Ų71.125%0.24634%0.341CS..Hα-helixtrans-64.1-38.6178.5-86.2127.3000113.8L50 F60 T125 E126 E127 L131 F132L50-W129 HydrophobicContact CD2-CH2 3.99Å; F60-W129 HydrophobicContact CB-CZ2 4.35Å; F60-W129 PolarHBondContact O-NE1 3.33Å; T125-W129 PolarHBondContact O-N 3.38Å; E126-W129 WeakPolarHBondContact O-CA 3.48Å; E126-W129 WeakPolarHBondContact O-CB 3.47Å; E126-W129 PolarHBondContact O-N 2.91Å; E126-W129 VanDerWaalsContact O-N 3.09Å; E127-W129 VanDerWaalsContact C-N 3.26Å; E127-W129 PolarHBondContact O-N 3.42Å; W129-L131 PolarHBondContact O-N 3.13Å; W129-L131 VanDerWaalsContact O-N 3.14Å; W129-F132 HydrophobicContact CE3-CB 4.45Å; W129-F132 HydrophobicContact CE3-CD2 4.11Å; W129-F132 HydrophobicContact CE3-CG 4.43Å; W129-F132 HydrophobicContact CZ3-CD2 4.47Å; W129-F132 PolarHBondContact O-N 2.76Å
130L65.5Low75.7Confident133 Ų13369.8 Ų69.870%0.69633%0.332SS*.Hα-helixtrans-64.3-15177.1-69.3173000113.1E126 E127 F132E126-L130 WeakPolarHBondContact O-CG 3.25Å; E126-L130 PolarHBondContact O-N 3.14Å; E127-L130 PolarHBondContact O-N 3.12Å; L130-F132 VanDerWaalsContact C-N 3.31Å
131L63.9Low74.5Confident133 Ų13372.8 Ų72.870%0.69635%0.346SS*.THydrogen-bonded Turntrans-82.50.7172.9-59.8170.1000113.7R19 E127 I128 W129R19-L131 PolarHBondContact NH1-O 2.87Å; E127-L131 PolarHBondContact O-N 3.29Å; I128-L131 WeakPolarHBondContact O-CB 3.44Å; I128-L131 PolarHBondContact O-N 3.24Å; W129-L131 PolarHBondContact O-N 3.13Å; W129-L131 VanDerWaalsContact O-N 3.14Å
132F51.1Low73.3Confident103 Ų10379.5 Ų79.545%0.45238%0.378SS..  trans-118.50178.2-63.6-100.3000112.7R19 K54 I128 W129 L130R19-F132 VanDerWaalsContact NH1-CG 3.32Å; K54-F132 PolarHBondContact NZ-O 3.13Å; I128-F132 HydrophobicContact CG2-CE2 3.79Å; I128-F132 WeakPolarHBondContact O-CD2 3.32Å; I128-F132 VanDerWaalsContact O-CE2 3.29Å; I128-F132 WeakPolarHBondContact O-CE2 3.45Å; W129-F132 HydrophobicContact CE3-CB 4.45Å; W129-F132 HydrophobicContact CE3-CD2 4.11Å; W129-F132 HydrophobicContact CE3-CG 4.43Å; W129-F132 HydrophobicContact CZ3-CD2 4.47Å; W129-F132 PolarHBondContact O-N 2.76Å; L130-F132 VanDerWaalsContact C-N 3.31Å

Retrieved 132 of 132 residues in 187.4 ms (Link to these results)

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