A0A087X915_POEFO Loading...

Tubulin polymerization-promoting protein family member 3

AlphaFold DB , UniProt , Accession A0A087X915, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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
1M33.9Very low59.6Low237 Ų237110.1 Ų110.1100%1.16765%0.651SS**  0111.20-66.4-71.2-172.500106.8
2A34.4Very low62.4Low104 Ų104105.3 Ų105.386%0.8662%0.623SS**  trans-69.6128.4-17000000111.6
3V40.1Very low64.8Low145 Ų14597.2 Ų97.288%0.87958%0.576SS**  trans-117.680173.9-173.40000107.2
4S43.7Very low66.9Low106 Ų10690.3 Ų90.374%0.74154%0.535SS*.  trans-174.589.4171.345.10000111.5
5S42.9Very low68.7Low114 Ų11491.1 Ų91.180%0.79753%0.529SS*.  trans178.1415035.80000116.2V7S5-V7 PolarHBondContact O-N 3.22Å
6D48.3Very low70.3Confident167 Ų16789.8 Ų89.889%0.89352%0.515SS*.  trans-83.283.9167.6-70.7-46.9000110E8D6-E8 PolarHBondContact O-N 2.9Å; D6-E8 VanDerWaalsContact O-N 3.09Å
7V59Low71.7Confident90 Ų9084.6 Ų84.655%0.54549%0.485SS..  trans-65.6109.6164.9-1700000106.2S5 F11 V12S5-V7 PolarHBondContact O-N 3.22Å; V7-F11 HydrophobicContact CG1-CB 4.47Å; V7-F11 HydrophobicContact CG1-CD1 3.65Å; V7-F11 HydrophobicContact CG1-CE1 4.47Å; V7-V12 HydrophobicContact CB-CG2 4.11Å; V7-V12 HydrophobicContact CG1-CG2 3.64Å
8E82.3Confident72.9Confident102 Ų10280.4 Ų80.448%0.47746%0.462SS..  trans-44.3125.9179.4-77.5-178.216500109.9D6 L10 F11 V12 Y72D6-E8 PolarHBondContact O-N 2.9Å; D6-E8 VanDerWaalsContact O-N 3.09Å; E8-L10 PolarHBondContact O-N 3.33Å; E8-F11 HydrophobicContact CB-CB 4.17Å; E8-F11 WeakPolarHBondContact O-CA 3.48Å; E8-F11 WeakPolarHBondContact O-CB 3.31Å; E8-F11 PolarHBondContact O-N 2.98Å; E8-V12 PolarHBondContact O-N 2.87Å; E8-V12 VanDerWaalsContact O-N 3.12Å; E8-Y72 PolarHBondContact OE2-OH 2.75Å
9P88.4Confident73.9Confident75 Ų7580.1 Ų80.149%0.48746%0.458SS..Hα-helixtrans-54-28.8-178.2-28.935.4000113.2V12 A13 E104P9-V12 PolarHBondContact O-N 2.76Å; P9-A13 PolarHBondContact O-N 3.46Å; P9-E104 HydrophobicContact CB-CB 4.11Å; P9-E104 HydrophobicContact CB-CG 3.9Å
10L90.5Very high74.7Confident4 Ų480.4 Ų80.42%0.02145%0.452CS..Hα-helixtrans-66.8-43.3173.3-174.866.1000112.7E8 V12 A13 F14 Y72 F75 Q76 L79 V103 E104E8-L10 PolarHBondContact O-N 3.33Å; L10-V12 VanDerWaalsContact C-N 3.29Å; L10-V12 PolarHBondContact O-N 3.24Å; L10-A13 PolarHBondContact O-N 2.67Å; L10-F14 PolarHBondContact O-N 3.42Å; L10-Y72 HydrophobicContact CG-CE2 4.46Å; L10-F75 HydrophobicContact CD1-CE1 3.97Å; L10-F75 HydrophobicContact CD1-CZ 4.12Å; L10-F75 HydrophobicContact CD2-CE1 4.2Å; L10-F75 HydrophobicContact CG-CE1 3.92Å; L10-Q76 HydrophobicContact CD2-CG 4.44Å; L10-L79 HydrophobicContact CD1-CD1 3.92Å; L10-L79 HydrophobicContact CD2-CD1 4.18Å; L10-V103 HydrophobicContact CD1-CB 3.84Å; L10-V103 HydrophobicContact CD1-CG1 3.7Å; L10-E104 HydrophobicContact CB-CG 4.19Å
11F92.1Very high75.1Confident67 Ų6780.3 Ų80.329%0.29447%0.469SS..Hα-helixtrans-64.6-35.7175.9-175.2-102.7000111.6V7 E8 F14 K15 Y72V7-F11 HydrophobicContact CG1-CB 4.47Å; V7-F11 HydrophobicContact CG1-CD1 3.65Å; V7-F11 HydrophobicContact CG1-CE1 4.47Å; E8-F11 HydrophobicContact CB-CB 4.17Å; E8-F11 WeakPolarHBondContact O-CA 3.48Å; E8-F11 WeakPolarHBondContact O-CB 3.31Å; E8-F11 PolarHBondContact O-N 2.98Å; F11-F14 HydrophobicContact CD2-CD1 4.27Å; F11-F14 HydrophobicContact CE2-CD1 4.16Å; F11-F14 HydrophobicContact CE2-CE1 4.5Å; F11-F14 WeakPolarHBondContact O-CB 3.23Å; F11-F14 PolarHBondContact O-N 2.93Å; F11-K15 WeakPolarHBondContact O-CB 3.31Å; F11-K15 PolarHBondContact O-N 3.47Å; F11-Y72 HydrophobicContact CB-CE1 4.36Å; F11-Y72 HydrophobicContact CB-CE2 3.96Å; F11-Y72 AromaticContact CD2-CD1 3.8Å; F11-Y72 HydrophobicContact CD2-CD1 3.8Å; F11-Y72 AromaticContact CD2-CD2 3.61Å; F11-Y72 HydrophobicContact CD2-CD2 3.61Å; F11-Y72 AromaticContact CD2-CE1 3.91Å; F11-Y72 HydrophobicContact CD2-CE1 3.91Å; F11-Y72 AromaticContact CD2-CE2 3.73Å; F11-Y72 HydrophobicContact CD2-CE2 3.73Å; F11-Y72 AromaticContact CD2-CG 3.64Å; F11-Y72 HydrophobicContact CD2-CG 3.64Å; F11-Y72 AromaticContact CD2-CZ 3.87Å; F11-Y72 HydrophobicContact CE2-CD1 4.33Å; F11-Y72 HydrophobicContact CE2-CD2 4.28Å; F11-Y72 HydrophobicContact CE2-CG 4.03Å; F11-Y72 HydrophobicContact CG-CE2 4.35Å; F11-Y72 PolarHBondContact N-OH 2.73Å
12V93.1Very high77.4Confident52 Ų5273 Ų7332%0.31543%0.434SS..Hα-helixtrans-60.8-48174.61770000110.8V7 E8 P9 L10 K15 K16V7-V12 HydrophobicContact CB-CG2 4.11Å; V7-V12 HydrophobicContact CG1-CG2 3.64Å; E8-V12 PolarHBondContact O-N 2.87Å; E8-V12 VanDerWaalsContact O-N 3.12Å; P9-V12 PolarHBondContact O-N 2.76Å; L10-V12 VanDerWaalsContact C-N 3.29Å; L10-V12 PolarHBondContact O-N 3.24Å; V12-K15 PolarHBondContact O-N 2.93Å; V12-K16 HydrophobicContact CG1-CD 4.45Å; V12-K16 WeakPolarHBondContact O-CG 3.49Å; V12-K16 PolarHBondContact O-N 2.63Å
13A93.4Very high79.6Confident1 Ų175.1 Ų75.11%0.00844%0.437CS..Hα-helixtrans-60.4-48.6175.700000110.9P9 L10 K15 K16 F17 V103P9-A13 PolarHBondContact O-N 3.46Å; L10-A13 PolarHBondContact O-N 2.67Å; A13-K15 VanDerWaalsContact C-N 3.28Å; A13-K15 PolarHBondContact O-N 3.16Å; A13-K16 PolarHBondContact O-N 3.33Å; A13-F17 VanDerWaalsContact O-CD2 3.29Å; A13-F17 WeakPolarHBondContact O-CD2 3.45Å; A13-F17 PolarHBondContact O-N 3.31Å; A13-V103 HydrophobicContact CB-CG1 3.96Å; A13-V103 VanDerWaalsContact CB-O 3.24Å; A13-V103 WeakPolarHBondContact CB-O 3.32Å
14F94.6Very high81.7Confident0 Ų077.2 Ų77.20%043%0.434CS..Hα-helixtrans-51.6-45.8175.2172.4-91000112.5L10 F11 F17 S18 L30 Y72 F75L10-F14 PolarHBondContact O-N 3.42Å; F11-F14 HydrophobicContact CD2-CD1 4.27Å; F11-F14 HydrophobicContact CE2-CD1 4.16Å; F11-F14 HydrophobicContact CE2-CE1 4.5Å; F11-F14 WeakPolarHBondContact O-CB 3.23Å; F11-F14 PolarHBondContact O-N 2.93Å; F14-F17 PolarHBondContact O-N 3.34Å; F14-S18 WeakPolarHBondContact O-CB 3.48Å; F14-S18 PolarHBondContact O-N 2.88Å; F14-S18 PolarHBondContact O-OG 2.81Å; F14-L30 HydrophobicContact CD2-CB 4.3Å; F14-L30 HydrophobicContact CD2-CD2 4.22Å; F14-L30 HydrophobicContact CE2-CB 3.55Å; F14-L30 HydrophobicContact CE2-CD2 4.19Å; F14-L30 HydrophobicContact CE2-CG 4.38Å; F14-L30 HydrophobicContact CZ-CB 4.05Å; F14-Y72 HydrophobicContact CB-CD2 4.06Å; F14-Y72 HydrophobicContact CB-CE2 4.19Å; F14-Y72 AromaticContact CD1-CD2 3.99Å; F14-Y72 HydrophobicContact CD1-CD2 3.99Å; F14-Y72 HydrophobicContact CD2-CD2 4.03Å; F14-Y72 HydrophobicContact CE1-CD2 4.47Å; F14-Y72 HydrophobicContact CE2-CD2 4.47Å; F14-Y72 AromaticContact CG-CD2 3.76Å; F14-Y72 HydrophobicContact CG-CD2 3.76Å; F14-Y72 HydrophobicContact CG-CE2 4.39Å; F14-F75 HydrophobicContact CB-CE1 4.27Å; F14-F75 HydrophobicContact CB-CZ 4.5Å; F14-F75 HydrophobicContact CD2-CB 4.01Å; F14-F75 AromaticContact CD2-CD1 3.81Å; F14-F75 HydrophobicContact CD2-CD1 3.81Å; F14-F75 AromaticContact CD2-CD2 3.92Å; F14-F75 HydrophobicContact CD2-CD2 3.92Å; F14-F75 HydrophobicContact CD2-CE1 4.24Å; F14-F75 HydrophobicContact CD2-CE2 4.32Å; F14-F75 AromaticContact CD2-CG 3.63Å; F14-F75 HydrophobicContact CD2-CG 3.63Å; F14-F75 HydrophobicContact CD2-CZ 4.47Å; F14-F75 HydrophobicContact CE2-CB 3.85Å; F14-F75 HydrophobicContact CE2-CD1 4.48Å; F14-F75 HydrophobicContact CE2-CD2 4.4Å; F14-F75 HydrophobicContact CE2-CG 4.01Å
15K93.9Very high83.7Confident103 Ų10373.5 Ų73.545%0.44841%0.41SS..Hα-helixtrans-64.3-41178.1-167.6176.5-179.9-177.40112.3F11 V12 A13 S18 L19F11-K15 WeakPolarHBondContact O-CB 3.31Å; F11-K15 PolarHBondContact O-N 3.47Å; V12-K15 PolarHBondContact O-N 2.93Å; A13-K15 VanDerWaalsContact C-N 3.28Å; A13-K15 PolarHBondContact O-N 3.16Å; K15-S18 VanDerWaalsContact CA-OG 3.24Å; K15-S18 WeakPolarHBondContact CA-OG 3.42Å; K15-S18 PolarHBondContact O-N 2.6Å; K15-S18 PolarHBondContact O-OG 2.71Å; K15-L19 HydrophobicContact CG-CD1 4.05Å; K15-L19 WeakPolarHBondContact O-CG 3.44Å; K15-L19 PolarHBondContact O-N 3.33Å; K15-L19 VanDerWaalsContact O-N 3.15Å
16K93.5Very high85.7Confident70 Ų7071.8 Ų71.830%0.30440%0.398SS..Hα-helixtrans-63.3-43.2177.1-70179.1-173.41730111.8V12 A13 Y20 E107V12-K16 HydrophobicContact CG1-CD 4.45Å; V12-K16 WeakPolarHBondContact O-CG 3.49Å; V12-K16 PolarHBondContact O-N 2.63Å; A13-K16 PolarHBondContact O-N 3.33Å; K16-Y20 WeakPolarHBondContact O-CB 3.44Å; K16-Y20 PolarHBondContact O-N 3.15Å; K16-E107 HydrophobicContact CD-CB 4.41Å; K16-E107 HydrophobicContact CD-CG 3.68Å; K16-E107 VanDerWaalsContact CE-OE1 3.26Å; K16-E107 WeakPolarHBondContact CE-OE1 3.45Å; K16-E107 IonicContact NZ-OE1 3.79Å; K16-E107 PolarHBondContact NZ-OE1 2.98Å
17F94.4Very high87.6Confident1 Ų164 Ų640%0.00436%0.357CS..Hα-helixtrans-72.3-33.2177.8-78.5-85.1000113.5A13 F14 Y20 L30 K37 L38 D41 Q106 P108A13-F17 VanDerWaalsContact O-CD2 3.29Å; A13-F17 WeakPolarHBondContact O-CD2 3.45Å; A13-F17 PolarHBondContact O-N 3.31Å; F14-F17 PolarHBondContact O-N 3.34Å; F17-Y20 WeakPolarHBondContact O-CB 3.42Å; F17-Y20 PolarHBondContact O-N 3.14Å; F17-L30 HydrophobicContact CB-CD1 3.98Å; F17-K37 HydrophobicContact CD1-CG 4.48Å; F17-K37 HydrophobicContact CE1-CG 4.25Å; F17-L38 HydrophobicContact CB-CB 4.38Å; F17-L38 HydrophobicContact CB-CD1 4Å; F17-L38 HydrophobicContact CD1-CB 3.71Å; F17-L38 HydrophobicContact CD1-CG 4.3Å; F17-L38 HydrophobicContact CD2-CB 4.17Å; F17-L38 HydrophobicContact CD2-CD1 3.67Å; F17-L38 HydrophobicContact CD2-CG 3.84Å; F17-L38 VanDerWaalsContact CE1-CA 3.49Å; F17-L38 HydrophobicContact CE1-CB 3.97Å; F17-L38 HydrophobicContact CE1-CG 4.45Å; F17-L38 HydrophobicContact CE2-CB 4.41Å; F17-L38 HydrophobicContact CE2-CD1 4.31Å; F17-L38 HydrophobicContact CE2-CG 4.02Å; F17-L38 HydrophobicContact CG-CB 3.83Å; F17-L38 HydrophobicContact CG-CD1 3.83Å; F17-L38 HydrophobicContact CG-CG 4.01Å; F17-L38 HydrophobicContact CZ-CB 4.32Å; F17-L38 HydrophobicContact CZ-CG 4.32Å; F17-D41 HydrophobicContact CE1-CB 4.08Å; F17-D41 HydrophobicContact CZ-CB 3.98Å; F17-Q106 HydrophobicContact CE2-CB 4.32Å; F17-P108 HydrophobicContact CD1-CB 3.9Å; F17-P108 HydrophobicContact CD1-CG 3.7Å; F17-P108 HydrophobicContact CD2-CG 4.34Å; F17-P108 VanDerWaalsContact CE1-CA 3.49Å; F17-P108 HydrophobicContact CE1-CB 3.76Å; F17-P108 HydrophobicContact CE1-CG 3.9Å; F17-P108 HydrophobicContact CG-CG 3.93Å; F17-P108 HydrophobicContact CZ-CB 4.37Å; F17-P108 HydrophobicContact CZ-CG 4.3Å
18S93.7Very high89.2Confident10 Ų1068.9 Ų68.97%0.0737%0.366CS..Hα-helixtrans-70.6-31.9176.948.10000113.7F14 K15 Y20 A25 G27 E29F14-S18 WeakPolarHBondContact O-CB 3.48Å; F14-S18 PolarHBondContact O-N 2.88Å; F14-S18 PolarHBondContact O-OG 2.81Å; K15-S18 VanDerWaalsContact CA-OG 3.24Å; K15-S18 WeakPolarHBondContact CA-OG 3.42Å; K15-S18 PolarHBondContact O-N 2.6Å; K15-S18 PolarHBondContact O-OG 2.71Å; S18-Y20 VanDerWaalsContact C-N 3.3Å; S18-A25 WeakPolarHBondContact O-CB 3.46Å; S18-G27 VanDerWaalsContact OG-CA 3.31Å; S18-G27 WeakPolarHBondContact OG-CA 3.43Å; S18-E29 WeakPolarHBondContact CB-O 3.49Å
19L92.4Very high89.7Confident73 Ų7368.7 Ų68.738%0.38237%0.365SS..SBendtrans-82.6-8.8175.7-65.1174.9000113.4K15 G21 A25K15-L19 HydrophobicContact CG-CD1 4.05Å; K15-L19 WeakPolarHBondContact O-CG 3.44Å; K15-L19 PolarHBondContact O-N 3.33Å; K15-L19 VanDerWaalsContact O-N 3.15Å; L19-G21 PolarHBondContact O-N 3.31Å; L19-A25 HydrophobicContact CD2-CB 4.02Å; L19-A25 WeakPolarHBondContact CD2-O 3.47Å
20Y90.2Very high90Very high86 Ų8665.1 Ų65.134%0.33734%0.342SS..THydrogen-bonded Turntrans-75.6119.6-171.3176.6-97.9000112.5K16 F17 S18 D22 K37 P108 N110K16-Y20 WeakPolarHBondContact O-CB 3.44Å; K16-Y20 PolarHBondContact O-N 3.15Å; F17-Y20 WeakPolarHBondContact O-CB 3.42Å; F17-Y20 PolarHBondContact O-N 3.14Å; S18-Y20 VanDerWaalsContact C-N 3.3Å; Y20-D22 VanDerWaalsContact C-N 3.27Å; Y20-D22 PolarHBondContact O-N 2.92Å; Y20-K37 HydrophobicContact CD1-CD 3.75Å; Y20-K37 HydrophobicContact CE1-CD 3.4Å; Y20-K37 VanDerWaalsContact CZ-CE 3.44Å; Y20-P108 HydrophobicContact CD1-CB 3.98Å; Y20-P108 HydrophobicContact CD2-CB 3.33Å; Y20-P108 HydrophobicContact CD2-CG 3.75Å; Y20-P108 HydrophobicContact CE1-CB 4.33Å; Y20-P108 HydrophobicContact CE2-CB 3.71Å; Y20-P108 HydrophobicContact CG-CB 3.45Å; Y20-P108 VanDerWaalsContact CG-CB 3.45Å; Y20-P108 HydrophobicContact CG-CG 3.72Å; Y20-N110 WeakPolarHBondContact CE2-OD1 3.44Å; Y20-N110 PolarHBondContact OH-OD1 3.39Å
21G82Confident90.2Very high79 Ų7968 Ų6881%0.81436%0.359SS*.THydrogen-bonded Turntrans79.81.317500000115L19L19-G21 PolarHBondContact O-N 3.31Å
22D82.9Confident90.3Very high83 Ų8365.7 Ų65.744%0.44435%0.354SS..  trans-130.4107.4173.5-173.1-8.7000110.2Y20 K24 A25Y20-D22 VanDerWaalsContact C-N 3.27Å; Y20-D22 PolarHBondContact O-N 2.92Å; D22-K24 PolarHBondContact O-N 3.03Å; D22-K24 PolarHBondContact OD1-N 2.99Å; D22-A25 HydrophobicContact CB-CB 4.02Å; D22-A25 WeakPolarHBondContact O-CB 3.36Å; D22-A25 PolarHBondContact O-N 3.04Å
23T79.9Confident90.4Very high149 Ų14972 Ų7291%0.91438%0.377SS*.THydrogen-bonded Turntrans-70.3-11-178.253.30000113.6
24K84Confident90.4Very high189 Ų18972.3 Ų72.382%0.82238%0.38SS*.THydrogen-bonded Turntrans-101.1-5.2177.2-61.5-177-179.1-178.60113D22D22-K24 PolarHBondContact O-N 3.03Å; D22-K24 PolarHBondContact OD1-N 2.99Å
25A86.9Confident90.5Very high28 Ų2872.3 Ų72.323%0.23138%0.38CS..  trans-64140.1-178.300000111.4S18 L19 D22S18-A25 WeakPolarHBondContact O-CB 3.46Å; L19-A25 HydrophobicContact CD2-CB 4.02Å; L19-A25 WeakPolarHBondContact CD2-O 3.47Å; D22-A25 HydrophobicContact CB-CB 4.02Å; D22-A25 WeakPolarHBondContact O-CB 3.36Å; D22-A25 PolarHBondContact O-N 3.04Å
26S85Confident90.6Very high78 Ų7868.9 Ų68.955%0.54537%0.371SS..  trans-86.5-9.918063.60000113.5R28S26-R28 PolarHBondContact O-N 3.19Å
27G88.1Confident90.6Very high3 Ų367.6 Ų67.63%0.03137%0.366CS..SBendtrans72.414.3-176.400000114.5S18S18-G27 VanDerWaalsContact OG-CA 3.31Å; S18-G27 WeakPolarHBondContact OG-CA 3.43Å
28R91Very high90.7Very high193 Ų19367.6 Ų67.673%0.72837%0.366SS*.SBendtrans-99.4-20.2-179.9-61.7-177.7-178.9-178.2-0.6113.3S26S26-R28 PolarHBondContact O-N 3.19Å
29E94.3Very high90.7Very high99 Ų9967.1 Ų67.146%0.46336%0.362SS..EExtended strand (participates in β ladder)trans-135.4147.6-171.9-65.4176.8170.100109.7S18 V69 I70S18-E29 WeakPolarHBondContact CB-O 3.49Å; E29-V69 HydrophobicContact CB-CB 4.07Å; E29-V69 HydrophobicContact CB-CG1 4.47Å; E29-V69 HydrophobicContact CB-CG2 4.2Å; E29-V69 HydrophobicContact CG-CG2 4.38Å; E29-I70 CarbonylContact C-O 3.56Å; E29-I70 WeakPolarHBondContact CA-O 3.42Å
30L94.8Very high90.8Very high0 Ų070.9 Ų70.90%038%0.376CS..EExtended strand (participates in β ladder)trans-117.7124.2-177.4-169.171.6000109.8F14 F17 A34 W35 L38 V69 I70 F75F14-L30 HydrophobicContact CD2-CB 4.3Å; F14-L30 HydrophobicContact CD2-CD2 4.22Å; F14-L30 HydrophobicContact CE2-CB 3.55Å; F14-L30 HydrophobicContact CE2-CD2 4.19Å; F14-L30 HydrophobicContact CE2-CG 4.38Å; F14-L30 HydrophobicContact CZ-CB 4.05Å; F17-L30 HydrophobicContact CB-CD1 3.98Å; L30-A34 HydrophobicContact CD1-CB 3.48Å; L30-A34 VanDerWaalsContact CD1-CB 3.48Å; L30-A34 HydrophobicContact CG-CB 4.07Å; L30-W35 HydrophobicContact CD2-CB 3.9Å; L30-W35 HydrophobicContact CD2-CE3 4.08Å; L30-W35 HydrophobicContact CG-CB 4.31Å; L30-L38 HydrophobicContact CD2-CD1 4.42Å; L30-V69 CarbonylContact O-C 3.51Å; L30-V69 WeakPolarHBondContact O-CA 3.41Å; L30-I70 HydrophobicContact CB-CG1 3.97Å; L30-I70 HydrophobicContact CD2-CD1 4.43Å; L30-I70 PolarHBondContact N-O 2.92Å; L30-I70 PolarHBondContact O-N 3.38Å; L30-F75 HydrophobicContact CD2-CD2 3.95Å; L30-F75 HydrophobicContact CD2-CE2 4.35Å
31T94.9Very high91Very high64 Ų6468.2 Ų68.239%0.39337%0.367SS..EExtended strand (participates in β ladder)trans-73.5157.4175.764.60000111.1K33 A34 W35 V69T31-K33 PolarHBondContact O-N 3.24Å; T31-A34 PolarHBondContact O-N 2.93Å; T31-A34 WeakPolarHBondContact OG1-CB 3.47Å; T31-A34 PolarHBondContact OG1-N 3.38Å; T31-W35 PolarHBondContact O-N 3.17Å; T31-V69 HydrophobicContact CG2-CG1 3.93Å
32G94.3Very high91.6Very high18 Ų1864.7 Ų64.719%0.18633%0.33CS..Hα-helixtrans-56.7-37.2176.100000113.3W35 A36 F59G32-W35 PolarHBondContact O-N 3.32Å; G32-A36 WeakPolarHBondContact O-CB 3.41Å; G32-A36 PolarHBondContact O-N 2.91Å; G32-F59 VanDerWaalsContact CA-CE2 3.48Å
33K93.4Very high92Very high184 Ų18469.9 Ų69.980%0.834%0.343SS*.Hα-helixtrans-63.7-44.6174.5-177.2-177.6175.6-174.40112.1T31 K37T31-K33 PolarHBondContact O-N 3.24Å; K33-K37 WeakPolarHBondContact O-CB 3.42Å; K33-K37 PolarHBondContact O-N 3.33Å
34A94.7Very high92.7Very high8 Ų862.8 Ų62.87%0.06630%0.3CS..Hα-helixtrans-68.7-36.4178.600000111.8L30 T31 K37 L38L30-A34 HydrophobicContact CD1-CB 3.48Å; L30-A34 VanDerWaalsContact CD1-CB 3.48Å; L30-A34 HydrophobicContact CG-CB 4.07Å; T31-A34 PolarHBondContact O-N 2.93Å; T31-A34 WeakPolarHBondContact OG1-CB 3.47Å; T31-A34 PolarHBondContact OG1-N 3.38Å; A34-K37 PolarHBondContact O-N 2.99Å; A34-L38 WeakPolarHBondContact O-CB 3.46Å; A34-L38 PolarHBondContact O-N 3.1Å
35W96.3Very high93.2Very high0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-61.1-52.1171.9167.2-112.2000112.3L30 T31 G32 K37 L38 C39 V55 F59 F75 A78 L79 L82L30-W35 HydrophobicContact CD2-CB 3.9Å; L30-W35 HydrophobicContact CD2-CE3 4.08Å; L30-W35 HydrophobicContact CG-CB 4.31Å; T31-W35 PolarHBondContact O-N 3.17Å; G32-W35 PolarHBondContact O-N 3.32Å; W35-K37 PolarHBondContact O-N 3.08Å; W35-L38 HydrophobicContact CZ3-CD2 4.4Å; W35-L38 WeakPolarHBondContact O-CB 3.06Å; W35-L38 PolarHBondContact O-N 3.27Å; W35-L38 VanDerWaalsContact O-N 3.1Å; W35-C39 VanDerWaalsContact CE2-SG 3.55Å; W35-C39 VanDerWaalsContact CZ2-SG 3.53Å; W35-C39 PolarHBondContact O-N 2.75Å; W35-C39 PolarHBondContact O-SG 3.39Å; W35-C39 VanDerWaalsContact O-SG 3.4Å; W35-V55 HydrophobicContact CG-CG1 4.45Å; W35-V55 HydrophobicContact CZ2-CG1 4.48Å; W35-V55 PolarHBondContact NE1-O 3.12Å; W35-F59 HydrophobicContact CB-CD2 3.87Å; W35-F59 HydrophobicContact CB-CE2 4.14Å; W35-F59 AromaticContact CD1-CD2 3.53Å; W35-F59 AromaticContact CD1-CG 3.89Å; W35-F59 AromaticContact CG-CD2 3.73Å; W35-F59 HydrophobicContact CG-CD2 3.73Å; W35-F59 HydrophobicContact CG-CE2 4.46Å; W35-F75 AromaticContact CE3-CD2 3.79Å; W35-F75 HydrophobicContact CE3-CD2 3.79Å; W35-F75 AromaticContact CE3-CE2 3.94Å; W35-F75 HydrophobicContact CE3-CE2 3.94Å; W35-F75 AromaticContact CZ3-CD2 3.54Å; W35-F75 HydrophobicContact CZ3-CD2 3.54Å; W35-F75 AromaticContact CZ3-CE2 3.53Å; W35-F75 HydrophobicContact CZ3-CE2 3.53Å; W35-A78 HydrophobicContact CH2-CB 3.62Å; W35-A78 HydrophobicContact CZ2-CB 3.72Å; W35-A78 HydrophobicContact CZ3-CB 4.33Å; W35-L79 HydrophobicContact CH2-CD2 3.95Å; W35-L79 HydrophobicContact CH2-CG 4.38Å; W35-L79 HydrophobicContact CZ3-CD2 4.11Å; W35-L79 HydrophobicContact CZ3-CG 4.47Å; W35-L82 HydrophobicContact CH2-CD1 3.92Å; W35-L82 HydrophobicContact CZ2-CD1 3.57Å
36A95.3Very high93.3Very high32 Ų3256.4 Ų56.426%0.26427%0.27SS..Hα-helixtrans-58.8-37.8176.800000111.8G32 K40G32-A36 WeakPolarHBondContact O-CB 3.41Å; G32-A36 PolarHBondContact O-N 2.91Å; A36-K40 WeakPolarHBondContact O-CB 3.46Å; A36-K40 PolarHBondContact O-N 3.01Å; A36-K40 VanDerWaalsContact O-N 3.1Å
37K94.2Very high93.3Very high43 Ų4355.9 Ų55.919%0.18728%0.277CS..Hα-helixtrans-64.1-46.7173.7-177.1171.2177.349.10112.3F17 Y20 K33 A34 W35 C39 K40 D41 T109F17-K37 HydrophobicContact CD1-CG 4.48Å; F17-K37 HydrophobicContact CE1-CG 4.25Å; Y20-K37 HydrophobicContact CD1-CD 3.75Å; Y20-K37 HydrophobicContact CE1-CD 3.4Å; Y20-K37 VanDerWaalsContact CZ-CE 3.44Å; K33-K37 WeakPolarHBondContact O-CB 3.42Å; K33-K37 PolarHBondContact O-N 3.33Å; A34-K37 PolarHBondContact O-N 2.99Å; W35-K37 PolarHBondContact O-N 3.08Å; K37-C39 VanDerWaalsContact C-N 3.34Å; K37-C39 PolarHBondContact O-N 3.19Å; K37-K40 PolarHBondContact O-N 2.98Å; K37-D41 VanDerWaalsContact CE-OD2 3.23Å; K37-D41 WeakPolarHBondContact CE-OD2 3.45Å; K37-D41 IonicContact NZ-OD1 2.75Å; K37-D41 PolarHBondContact NZ-OD1 3.34Å; K37-D41 IonicContact NZ-OD2 3.02Å; K37-D41 PolarHBondContact NZ-OD2 3.38Å; K37-D41 WeakPolarHBondContact O-CB 3.27Å; K37-D41 PolarHBondContact O-N 3.49Å; K37-T109 PolarHBondContact NZ-O 3.03Å
38L95.7Very high93.3Very high0 Ų064.8 Ų64.80%032%0.315CS..Hα-helixtrans-57-49.1176.2-177.1159.4000110.5F17 L30 A34 W35 K40 D41 C42 F75 V103F17-L38 HydrophobicContact CB-CB 4.38Å; F17-L38 HydrophobicContact CB-CD1 4Å; F17-L38 HydrophobicContact CD1-CB 3.71Å; F17-L38 HydrophobicContact CD1-CG 4.3Å; F17-L38 HydrophobicContact CD2-CB 4.17Å; F17-L38 HydrophobicContact CD2-CD1 3.67Å; F17-L38 HydrophobicContact CD2-CG 3.84Å; F17-L38 VanDerWaalsContact CE1-CA 3.49Å; F17-L38 HydrophobicContact CE1-CB 3.97Å; F17-L38 HydrophobicContact CE1-CG 4.45Å; F17-L38 HydrophobicContact CE2-CB 4.41Å; F17-L38 HydrophobicContact CE2-CD1 4.31Å; F17-L38 HydrophobicContact CE2-CG 4.02Å; F17-L38 HydrophobicContact CG-CB 3.83Å; F17-L38 HydrophobicContact CG-CD1 3.83Å; F17-L38 HydrophobicContact CG-CG 4.01Å; F17-L38 HydrophobicContact CZ-CB 4.32Å; F17-L38 HydrophobicContact CZ-CG 4.32Å; L30-L38 HydrophobicContact CD2-CD1 4.42Å; A34-L38 WeakPolarHBondContact O-CB 3.46Å; A34-L38 PolarHBondContact O-N 3.1Å; W35-L38 HydrophobicContact CZ3-CD2 4.4Å; W35-L38 WeakPolarHBondContact O-CB 3.06Å; W35-L38 PolarHBondContact O-N 3.27Å; W35-L38 VanDerWaalsContact O-N 3.1Å; L38-K40 PolarHBondContact O-N 3.3Å; L38-D41 PolarHBondContact O-N 3.17Å; L38-C42 WeakPolarHBondContact O-CB 3.41Å; L38-C42 PolarHBondContact O-N 3.04Å; L38-C42 PolarHBondContact O-SG 3.1Å; L38-F75 HydrophobicContact CD1-CE2 3.68Å; L38-F75 HydrophobicContact CD1-CZ 4.1Å; L38-F75 HydrophobicContact CD2-CE2 4.2Å; L38-V103 HydrophobicContact CD1-CG1 4.27Å; L38-V103 HydrophobicContact CD2-CG1 3.94Å; L38-V103 HydrophobicContact CD2-CG2 3.98Å; L38-V103 HydrophobicContact CG-CG1 4.33Å
39C95.6Very high93.3Very high0 Ų056.9 Ų56.90%029%0.289CS..Hα-helixtrans-62.8-30.8179.9-63.50000113W35 K37 V44 I45 V55W35-C39 VanDerWaalsContact CE2-SG 3.55Å; W35-C39 VanDerWaalsContact CZ2-SG 3.53Å; W35-C39 PolarHBondContact O-N 2.75Å; W35-C39 PolarHBondContact O-SG 3.39Å; W35-C39 VanDerWaalsContact O-SG 3.4Å; K37-C39 VanDerWaalsContact C-N 3.34Å; K37-C39 PolarHBondContact O-N 3.19Å; C39-V44 HydrophobicContact CB-CB 4.02Å; C39-V44 HydrophobicContact CB-CG1 4.34Å; C39-V44 WeakPolarHBondContact O-CA 3.23Å; C39-V44 WeakPolarHBondContact O-CB 3.35Å; C39-V44 PolarHBondContact O-N 3.37Å; C39-I45 HydrophobicContact CB-CD1 4.03Å; C39-I45 HydrophobicContact CB-CG1 3.91Å; C39-I45 PolarHBondContact O-N 3.19Å; C39-V55 HydrophobicContact CB-CG1 3.92Å; C39-V55 HydrophobicContact CB-CG2 3.92Å
40K94Very high93.3Very high152 Ų15252.1 Ų52.166%0.66127%0.267SS*.Hα-helixtrans-75.7-51.5175.7-171175.9-178.6177.10112.2A36 K37 L38 C42 R43 I45A36-K40 WeakPolarHBondContact O-CB 3.46Å; A36-K40 PolarHBondContact O-N 3.01Å; A36-K40 VanDerWaalsContact O-N 3.1Å; K37-K40 PolarHBondContact O-N 2.98Å; L38-K40 PolarHBondContact O-N 3.3Å; K40-C42 PolarHBondContact O-N 3.38Å; K40-R43 PolarHBondContact O-N 2.83Å; K40-I45 HydrophobicContact CB-CD1 4.32Å
41D93.4Very high93.3Very high31 Ų3154.8 Ų54.817%0.16628%0.283CS..Hα-helixtrans-65.6-39.8-176.3-70.52.8000110.8F17 K37 L38 R43 P108 T109F17-D41 HydrophobicContact CE1-CB 4.08Å; F17-D41 HydrophobicContact CZ-CB 3.98Å; K37-D41 VanDerWaalsContact CE-OD2 3.23Å; K37-D41 WeakPolarHBondContact CE-OD2 3.45Å; K37-D41 IonicContact NZ-OD1 2.75Å; K37-D41 PolarHBondContact NZ-OD1 3.34Å; K37-D41 IonicContact NZ-OD2 3.02Å; K37-D41 PolarHBondContact NZ-OD2 3.38Å; K37-D41 WeakPolarHBondContact O-CB 3.27Å; K37-D41 PolarHBondContact O-N 3.49Å; L38-D41 PolarHBondContact O-N 3.17Å; D41-R43 VanDerWaalsContact C-N 3.25Å; D41-R43 PolarHBondContact O-N 3.23Å; D41-P108 WeakPolarHBondContact OD2-CA 3.44Å; D41-T109 PolarHBondContact OD2-N 3.27Å
42C94.4Very high93.3Very high4 Ų453.3 Ų53.33%0.02728%0.281CS..THydrogen-bonded Turntrans-81.13.7177.3-54.10000113.9L38 K40 V44 V103 Q106L38-C42 WeakPolarHBondContact O-CB 3.41Å; L38-C42 PolarHBondContact O-N 3.04Å; L38-C42 PolarHBondContact O-SG 3.1Å; K40-C42 PolarHBondContact O-N 3.38Å; C42-V44 HydrophobicContact CB-CG2 4.24Å; C42-V44 PolarHBondContact O-N 3.18Å; C42-V103 HydrophobicContact CB-CG2 4Å; C42-Q106 HydrophobicContact CB-CG 4.25Å; C42-Q106 WeakPolarHBondContact SG-CB 3.48Å
43R92.4Very high93.4Very high192 Ų19257 Ų5773%0.72530%0.3SS*.THydrogen-bonded Turntrans56.430.8-178.9-51.6-176.8178.9-166.4-0.4114.6K40 D41 I45K40-R43 PolarHBondContact O-N 2.83Å; D41-R43 VanDerWaalsContact C-N 3.25Å; D41-R43 PolarHBondContact O-N 3.23Å; R43-I45 VanDerWaalsContact C-N 3.35Å
44V93.9Very high93.5Very high0 Ų049.7 Ų49.70%027%0.27CS..  trans-68-41.6167.6174.60000109.3C39 C42 D46 V50 L82 R86 I99 V103C39-V44 HydrophobicContact CB-CB 4.02Å; C39-V44 HydrophobicContact CB-CG1 4.34Å; C39-V44 WeakPolarHBondContact O-CA 3.23Å; C39-V44 WeakPolarHBondContact O-CB 3.35Å; C39-V44 PolarHBondContact O-N 3.37Å; C42-V44 HydrophobicContact CB-CG2 4.24Å; C42-V44 PolarHBondContact O-N 3.18Å; V44-D46 PolarHBondContact O-N 2.99Å; V44-V50 HydrophobicContact CG1-CG1 4.49Å; V44-L82 HydrophobicContact CG1-CD1 3.87Å; V44-R86 WeakPolarHBondContact O-CD 3.48Å; V44-I99 HydrophobicContact CG1-CD1 3.87Å; V44-I99 HydrophobicContact CG1-CG1 4.4Å; V44-I99 HydrophobicContact CG2-CD1 4.42Å; V44-I99 HydrophobicContact CG2-CG1 4.11Å; V44-V103 HydrophobicContact CG2-CG2 4.1Å
45I94.3Very high93.6Very high46 Ų4649.3 Ų49.324%0.23627%0.267CS..  trans-72.7114.9166.9-61170.6000107.8C39 K40 R43 V50 V55C39-I45 HydrophobicContact CB-CD1 4.03Å; C39-I45 HydrophobicContact CB-CG1 3.91Å; C39-I45 PolarHBondContact O-N 3.19Å; K40-I45 HydrophobicContact CB-CD1 4.32Å; R43-I45 VanDerWaalsContact C-N 3.35Å; I45-V50 WeakPolarHBondContact CG2-O 3.46Å; I45-V55 HydrophobicContact CD1-CG2 3.97Å; I45-V55 HydrophobicContact CG1-CG2 3.62Å
46D90.1Very high93.6Very high38 Ų3853.2 Ų53.220%0.20329%0.287CS..  trans-105.5-2.5-177.469.6-10.5000113.5V44 K48 S49 V50 R86V44-D46 PolarHBondContact O-N 2.99Å; D46-K48 PolarHBondContact O-N 3.3Å; D46-K48 PolarHBondContact OD1-N 3.46Å; D46-S49 VanDerWaalsContact CG-OG 3.31Å; D46-S49 PolarHBondContact OD1-N 3.22Å; D46-S49 PolarHBondContact OD1-OG 3.47Å; D46-S49 PolarHBondContact OD2-N 2.92Å; D46-S49 PolarHBondContact OD2-OG 3.19Å; D46-V50 PolarHBondContact N-O 2.88Å; D46-V50 PolarHBondContact OD1-N 3.06Å; D46-R86 IonicContact OD2-CZ 3.52Å; D46-R86 IonicContact OD2-NE 3.71Å; D46-R86 IonicContact OD2-NH1 2.88Å; D46-R86 PolarHBondContact OD2-NH1 3.14Å
47G85.1Confident93.7Very high66 Ų6656.3 Ų56.368%0.6830%0.299SS*.SBendtrans66.512.5-176.700000113.7
48K87.9Confident93.8Very high191 Ų19154.4 Ų54.483%0.8329%0.291SS*.SBendtrans-129.3-63-177.7-63.8-178.5-178.2-177.80111.7D46D46-K48 PolarHBondContact O-N 3.3Å; D46-K48 PolarHBondContact OD1-N 3.46Å
49S89.9Confident93.9Very high26 Ų2655 Ų5518%0.18229%0.293CS..SBendtrans-102.5-32.7-174.967.40000112.9D46 K85D46-S49 VanDerWaalsContact CG-OG 3.31Å; D46-S49 PolarHBondContact OD1-N 3.22Å; D46-S49 PolarHBondContact OD1-OG 3.47Å; D46-S49 PolarHBondContact OD2-N 2.92Å; D46-S49 PolarHBondContact OD2-OG 3.19Å; S49-K85 VanDerWaalsContact CB-O 3.31Å; S49-K85 WeakPolarHBondContact CB-O 3.35Å; S49-K85 PolarHBondContact OG-O 2.9Å
50V94.6Very high93.9Very high0 Ų058.5 Ų58.50%032%0.318CS..SBendtrans-119.9113.3176.5176.70000107.8V44 I45 D46 D54 V55 L82 K85 R86V44-V50 HydrophobicContact CG1-CG1 4.49Å; I45-V50 WeakPolarHBondContact CG2-O 3.46Å; D46-V50 PolarHBondContact N-O 2.88Å; D46-V50 PolarHBondContact OD1-N 3.06Å; V50-D54 HydrophobicContact CG1-CB 4.41Å; V50-V55 HydrophobicContact CG1-CG2 3.83Å; V50-L82 HydrophobicContact CG1-CD2 3.92Å; V50-L82 HydrophobicContact CG2-CD2 4.4Å; V50-K85 HydrophobicContact CG2-CB 4.01Å; V50-R86 HydrophobicContact CG2-CB 3.92Å
51T95.8Very high94.1Very high55 Ų5557.5 Ų57.534%0.33731%0.313SS..  trans-99.5167.9177.667.40000111.5T53 D54 V55T51-T53 PolarHBondContact O-N 2.83Å; T51-D54 WeakPolarHBondContact CB-OD2 3.3Å; T51-D54 PolarHBondContact N-OD2 3.24Å; T51-D54 WeakPolarHBondContact O-CB 3.49Å; T51-D54 PolarHBondContact O-N 2.93Å; T51-D54 VanDerWaalsContact O-N 3.14Å; T51-D54 PolarHBondContact OG1-N 3.42Å; T51-D54 PolarHBondContact OG1-OD2 2.87Å; T51-V55 WeakPolarHBondContact O-CG2 3.36Å; T51-V55 PolarHBondContact O-N 3.4Å; T51-V55 VanDerWaalsContact O-N 3.15Å
52G94.7Very high94.2Very high34 Ų3456.9 Ų56.935%0.35131%0.311SS..Hα-helixtrans-56.9-38.9172.500000112.2D54 V55 D56G52-D54 PolarHBondContact O-N 2.95Å; G52-V55 WeakPolarHBondContact O-CB 3.25Å; G52-V55 PolarHBondContact O-N 3.4Å; G52-D56 PolarHBondContact O-N 3.24Å
53T95.8Very high94.3Very high96 Ų9658.7 Ų58.759%0.58932%0.318SS*.Hα-helixtrans-62.2-41.6175.4-47.30000112.1T51 V55 D56 I57T51-T53 PolarHBondContact O-N 2.83Å; T53-V55 VanDerWaalsContact C-N 3.29Å; T53-V55 PolarHBondContact O-N 3.34Å; T53-D56 PolarHBondContact O-N 3.06Å; T53-I57 HydrophobicContact CG2-CD1 3.97Å; T53-I57 HydrophobicContact CG2-CG1 4.48Å; T53-I57 WeakPolarHBondContact O-CB 3.47Å; T53-I57 VanDerWaalsContact O-CG1 3.23Å; T53-I57 WeakPolarHBondContact O-CG1 3.42Å; T53-I57 PolarHBondContact O-N 3.34Å
54D95.4Very high94.4Very high30 Ų3056.4 Ų56.416%0.1632%0.316CS..Hα-helixtrans-60.2-41.6175.3-71.5-73.8000111.8V50 T51 G52 I57 V58 K85V50-D54 HydrophobicContact CG1-CB 4.41Å; T51-D54 WeakPolarHBondContact CB-OD2 3.3Å; T51-D54 PolarHBondContact N-OD2 3.24Å; T51-D54 WeakPolarHBondContact O-CB 3.49Å; T51-D54 PolarHBondContact O-N 2.93Å; T51-D54 VanDerWaalsContact O-N 3.14Å; T51-D54 PolarHBondContact OG1-N 3.42Å; T51-D54 PolarHBondContact OG1-OD2 2.87Å; G52-D54 PolarHBondContact O-N 2.95Å; D54-I57 PolarHBondContact O-N 3.5Å; D54-V58 WeakPolarHBondContact O-CG2 3.47Å; D54-V58 PolarHBondContact O-N 2.95Å; D54-K85 IonicContact OD1-NZ 2.81Å; D54-K85 PolarHBondContact OD1-NZ 3.45Å
55V96.8Very high94.3Very high0 Ų068.1 Ų68.10%036%0.36CS..Hα-helixtrans-63.3-42.7179170.40000111.2W35 C39 I45 V50 T51 G52 T53 F59 L82W35-V55 HydrophobicContact CG-CG1 4.45Å; W35-V55 HydrophobicContact CZ2-CG1 4.48Å; W35-V55 PolarHBondContact NE1-O 3.12Å; C39-V55 HydrophobicContact CB-CG1 3.92Å; C39-V55 HydrophobicContact CB-CG2 3.92Å; I45-V55 HydrophobicContact CD1-CG2 3.97Å; I45-V55 HydrophobicContact CG1-CG2 3.62Å; V50-V55 HydrophobicContact CG1-CG2 3.83Å; T51-V55 WeakPolarHBondContact O-CG2 3.36Å; T51-V55 PolarHBondContact O-N 3.4Å; T51-V55 VanDerWaalsContact O-N 3.15Å; G52-V55 WeakPolarHBondContact O-CB 3.25Å; G52-V55 PolarHBondContact O-N 3.4Å; T53-V55 VanDerWaalsContact C-N 3.29Å; T53-V55 PolarHBondContact O-N 3.34Å; V55-F59 WeakPolarHBondContact O-CB 3.45Å; V55-F59 PolarHBondContact O-N 3.19Å; V55-L82 HydrophobicContact CG2-CD1 4.22Å
56D96.4Very high94.1Very high82 Ų8271.3 Ų71.344%0.43939%0.386SS..Hα-helixtrans-69.4-36.7177.2-71.7-31.6000112.5G52 T53 S60G52-D56 PolarHBondContact O-N 3.24Å; T53-D56 PolarHBondContact O-N 3.06Å; D56-S60 WeakPolarHBondContact O-CB 2.91Å; D56-S60 PolarHBondContact O-N 3Å; D56-S60 PolarHBondContact O-OG 3.36Å
57I96.6Very high94.3Very high97 Ų9770.9 Ų70.950%0.49739%0.387SS..Hα-helixtrans-63.7-49.1174.1-71.3166.7000110.1T53 D54 F59 S60 K61T53-I57 HydrophobicContact CG2-CD1 3.97Å; T53-I57 HydrophobicContact CG2-CG1 4.48Å; T53-I57 WeakPolarHBondContact O-CB 3.47Å; T53-I57 VanDerWaalsContact O-CG1 3.23Å; T53-I57 WeakPolarHBondContact O-CG1 3.42Å; T53-I57 PolarHBondContact O-N 3.34Å; D54-I57 PolarHBondContact O-N 3.5Å; I57-F59 VanDerWaalsContact C-N 3.35Å; I57-F59 PolarHBondContact O-N 3.05Å; I57-S60 PolarHBondContact O-N 3.36Å; I57-S60 VanDerWaalsContact O-N 3.16Å; I57-K61 WeakPolarHBondContact O-CB 3.47Å; I57-K61 PolarHBondContact O-N 3.5Å
58V97.3Very high94.7Very high3 Ų378.3 Ų78.32%0.01840%0.395CS..Hα-helixtrans-62-44.4179.5169.80000110.7D54 S60 K61 V62 A78 E81 L82D54-V58 WeakPolarHBondContact O-CG2 3.47Å; D54-V58 PolarHBondContact O-N 2.95Å; V58-S60 VanDerWaalsContact C-N 3.27Å; V58-S60 PolarHBondContact O-N 3.23Å; V58-K61 WeakPolarHBondContact O-CB 3.23Å; V58-K61 PolarHBondContact O-N 3.41Å; V58-K61 VanDerWaalsContact O-N 3.08Å; V58-V62 HydrophobicContact CG1-CG1 4.35Å; V58-V62 WeakPolarHBondContact O-CG2 3.43Å; V58-V62 PolarHBondContact O-N 3.19Å; V58-A78 HydrophobicContact CG1-CB 3.7Å; V58-E81 HydrophobicContact CG1-CB 3.87Å; V58-E81 HydrophobicContact CG1-CG 4.49Å; V58-E81 HydrophobicContact CG2-CB 4.12Å; V58-L82 HydrophobicContact CB-CD2 4.4Å; V58-L82 HydrophobicContact CB-CG 4.48Å; V58-L82 HydrophobicContact CG1-CG 4.33Å; V58-L82 HydrophobicContact CG2-CD2 3.75Å; V58-L82 HydrophobicContact CG2-CG 4.17Å
59F97.3Very high95.1Very high13 Ų1371 Ų716%0.05737%0.366CS..Hα-helixtrans-54.1-46.9174.1-175.7-96.7000111.6G32 W35 V55 I57 K61 K63 I70G32-F59 VanDerWaalsContact CA-CE2 3.48Å; W35-F59 HydrophobicContact CB-CD2 3.87Å; W35-F59 HydrophobicContact CB-CE2 4.14Å; W35-F59 AromaticContact CD1-CD2 3.53Å; W35-F59 AromaticContact CD1-CG 3.89Å; W35-F59 AromaticContact CG-CD2 3.73Å; W35-F59 HydrophobicContact CG-CD2 3.73Å; W35-F59 HydrophobicContact CG-CE2 4.46Å; V55-F59 WeakPolarHBondContact O-CB 3.45Å; V55-F59 PolarHBondContact O-N 3.19Å; I57-F59 VanDerWaalsContact C-N 3.35Å; I57-F59 PolarHBondContact O-N 3.05Å; F59-K61 VanDerWaalsContact C-N 3.26Å; F59-K61 PolarHBondContact O-N 2.86Å; F59-K63 HydrophobicContact CD1-CD 3.63Å; F59-K63 HydrophobicContact CE1-CD 3.4Å; F59-K63 HydrophobicContact CZ-CD 4.19Å; F59-K63 WeakPolarHBondContact O-CB 3.44Å; F59-K63 WeakPolarHBondContact O-CD 3.09Å; F59-K63 VanDerWaalsContact O-CG 3.23Å; F59-K63 WeakPolarHBondContact O-CG 3.2Å; F59-K63 PolarHBondContact O-N 2.97Å; F59-I70 HydrophobicContact CD2-CD1 3.9Å; F59-I70 HydrophobicContact CD2-CG1 4.33Å; F59-I70 HydrophobicContact CD2-CG2 3.94Å; F59-I70 HydrophobicContact CE2-CB 4.19Å; F59-I70 HydrophobicContact CE2-CD1 3.88Å; F59-I70 HydrophobicContact CE2-CG1 3.8Å; F59-I70 HydrophobicContact CE2-CG2 3.56Å; F59-I70 HydrophobicContact CZ-CG2 4Å
60S96.9Very high95.4Very high73 Ų7369.8 Ų69.851%0.5136%0.358SS..Hα-helixtrans-68.1-26.2-179.5-60.90000113.8D56 I57 V58D56-S60 WeakPolarHBondContact O-CB 2.91Å; D56-S60 PolarHBondContact O-N 3Å; D56-S60 PolarHBondContact O-OG 3.36Å; I57-S60 PolarHBondContact O-N 3.36Å; I57-S60 VanDerWaalsContact O-N 3.16Å; V58-S60 VanDerWaalsContact C-N 3.27Å; V58-S60 PolarHBondContact O-N 3.23Å
61K96.3Very high95.5Very high130 Ų13072.4 Ų72.457%0.56537%0.374SS*.Hα-helixtrans-78.5-44178.5-176.1-178.8174.9-170.50112.5I57 V58 F59 E81I57-K61 WeakPolarHBondContact O-CB 3.47Å; I57-K61 PolarHBondContact O-N 3.5Å; V58-K61 WeakPolarHBondContact O-CB 3.23Å; V58-K61 PolarHBondContact O-N 3.41Å; V58-K61 VanDerWaalsContact O-N 3.08Å; F59-K61 VanDerWaalsContact C-N 3.26Å; F59-K61 PolarHBondContact O-N 2.86Å; K61-E81 VanDerWaalsContact CE-OE1 3.31Å; K61-E81 WeakPolarHBondContact CE-OE1 3.46Å; K61-E81 IonicContact NZ-OE1 2.63Å; K61-E81 PolarHBondContact NZ-OE1 3.09Å; K61-E81 IonicContact NZ-OE2 2.71Å; K61-E81 PolarHBondContact NZ-OE2 2.63Å
62V96.6Very high95.4Very high19 Ų1971.4 Ų71.412%0.11536%0.364CS..Hα-helixtrans-81.3-27.5-175.5-59.60000113.2V58 I70 E74 Q77 A78V58-V62 HydrophobicContact CG1-CG1 4.35Å; V58-V62 WeakPolarHBondContact O-CG2 3.43Å; V58-V62 PolarHBondContact O-N 3.19Å; V62-I70 HydrophobicContact CG2-CG2 4.01Å; V62-E74 HydrophobicContact CB-CB 4.41Å; V62-E74 HydrophobicContact CG2-CB 4.32Å; V62-Q77 HydrophobicContact CG1-CB 4.24Å; V62-A78 HydrophobicContact CG1-CB 4.17Å; V62-A78 HydrophobicContact CG2-CB 3.98Å
63K96Very high95.4Very high42 Ų4277.2 Ų77.218%0.18338%0.38CS..SBendtrans-74.4151.2-179.275.7-171.2-172.4660111.1F59 A67 I70F59-K63 HydrophobicContact CD1-CD 3.63Å; F59-K63 HydrophobicContact CE1-CD 3.4Å; F59-K63 HydrophobicContact CZ-CD 4.19Å; F59-K63 WeakPolarHBondContact O-CB 3.44Å; F59-K63 WeakPolarHBondContact O-CD 3.09Å; F59-K63 VanDerWaalsContact O-CG 3.23Å; F59-K63 WeakPolarHBondContact O-CG 3.2Å; F59-K63 PolarHBondContact O-N 2.97Å; K63-A67 WeakPolarHBondContact CD-O 3.37Å; K63-A67 WeakPolarHBondContact CE-O 3.38Å; K63-A67 PolarHBondContact NZ-O 2.52Å; K63-I70 HydrophobicContact CB-CG2 3.51Å
64Q94.6Very high95.4Very high144 Ų14474 Ų7467%0.67336%0.358SS*.PPolyproline II helixtrans-56.9147.1167.5-65.7-170.7-1900112.2S66 A67Q64-S66 PolarHBondContact O-N 3.09Å; Q64-A67 HydrophobicContact CB-CB 4.07Å; Q64-A67 VanDerWaalsContact O-CB 3.27Å; Q64-A67 WeakPolarHBondContact O-CB 3.46Å; Q64-A67 PolarHBondContact O-N 3.47Å
65R91.9Very high95.5Very high246 Ų24672.6 Ų72.693%0.92835%0.35SS*.THydrogen-bonded Turntrans-55133.1176.8-177.5175.3-81.4178.5-4.5109.3A67R65-A67 PolarHBondContact O-N 3.17Å
66S91.4Very high95.4Very high113 Ų11375.5 Ų75.579%0.7936%0.364SS*.THydrogen-bonded Turntrans71.2-12.6-175.1-152.70000116.9Q64Q64-S66 PolarHBondContact O-N 3.09Å
67A93.5Very high95.3Very high28 Ų2876.5 Ų76.523%0.23137%0.366CS..  trans-63.5144.6176.600000111.6K63 Q64 R65K63-A67 WeakPolarHBondContact CD-O 3.37Å; K63-A67 WeakPolarHBondContact CE-O 3.38Å; K63-A67 PolarHBondContact NZ-O 2.52Å; Q64-A67 HydrophobicContact CB-CB 4.07Å; Q64-A67 VanDerWaalsContact O-CB 3.27Å; Q64-A67 WeakPolarHBondContact O-CB 3.46Å; Q64-A67 PolarHBondContact O-N 3.47Å; R65-A67 PolarHBondContact O-N 3.17Å
68R93.8Very high95.3Very high222 Ų22271.9 Ų71.984%0.83834%0.342SS*.SBendtrans-98.4-5.2176.3-64.9-176.5178.3-179.5-0.6113.2
69V95.1Very high95.2Very high37 Ų3771.7 Ų71.722%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-137.4161.9-171.4-64.70000109.9E29 L30 T31E29-V69 HydrophobicContact CB-CB 4.07Å; E29-V69 HydrophobicContact CB-CG1 4.47Å; E29-V69 HydrophobicContact CB-CG2 4.2Å; E29-V69 HydrophobicContact CG-CG2 4.38Å; L30-V69 CarbonylContact O-C 3.51Å; L30-V69 WeakPolarHBondContact O-CA 3.41Å; T31-V69 HydrophobicContact CG2-CG1 3.93Å
70I96.4Very high95.1Very high1 Ų174.5 Ų74.51%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-122.1146.9168.961.4179.9000110.1E29 L30 F59 V62 K63 E74 F75E29-I70 CarbonylContact C-O 3.56Å; E29-I70 WeakPolarHBondContact CA-O 3.42Å; L30-I70 HydrophobicContact CB-CG1 3.97Å; L30-I70 HydrophobicContact CD2-CD1 4.43Å; L30-I70 PolarHBondContact N-O 2.92Å; L30-I70 PolarHBondContact O-N 3.38Å; F59-I70 HydrophobicContact CD2-CD1 3.9Å; F59-I70 HydrophobicContact CD2-CG1 4.33Å; F59-I70 HydrophobicContact CD2-CG2 3.94Å; F59-I70 HydrophobicContact CE2-CB 4.19Å; F59-I70 HydrophobicContact CE2-CD1 3.88Å; F59-I70 HydrophobicContact CE2-CG1 3.8Å; F59-I70 HydrophobicContact CE2-CG2 3.56Å; F59-I70 HydrophobicContact CZ-CG2 4Å; V62-I70 HydrophobicContact CG2-CG2 4.01Å; K63-I70 HydrophobicContact CB-CG2 3.51Å; I70-E74 WeakPolarHBondContact CA-OE2 3.41Å; I70-E74 HydrophobicContact CB-CB 3.94Å; I70-E74 HydrophobicContact CG2-CB 4.3Å; I70-F75 HydrophobicContact CD1-CB 3.98Å; I70-F75 HydrophobicContact CG1-CB 4.46Å
71T96.3Very high95Very high55 Ų5574.5 Ų74.534%0.33735%0.347SS..EExtended strand (participates in β ladder)trans-80.6170171.762.60000111.1K73 E74 F75T71-K73 VanDerWaalsContact C-N 3.25Å; T71-K73 PolarHBondContact O-N 3.33Å; T71-E74 PolarHBondContact N-OE2 3.21Å; T71-E74 PolarHBondContact O-N 2.86Å; T71-E74 PolarHBondContact OG1-OE2 2.9Å; T71-F75 WeakPolarHBondContact O-CB 3.22Å; T71-F75 PolarHBondContact O-N 2.88Å
72Y94.7Very high94.9Very high34 Ų3468.3 Ų68.313%0.13332%0.32CS..Hα-helixtrans-58.4-35.6177.4-176.7-119.1000113.4E8 L10 F11 F14 F75 Q76E8-Y72 PolarHBondContact OE2-OH 2.75Å; L10-Y72 HydrophobicContact CG-CE2 4.46Å; F11-Y72 HydrophobicContact CB-CE1 4.36Å; F11-Y72 HydrophobicContact CB-CE2 3.96Å; F11-Y72 AromaticContact CD2-CD1 3.8Å; F11-Y72 HydrophobicContact CD2-CD1 3.8Å; F11-Y72 AromaticContact CD2-CD2 3.61Å; F11-Y72 HydrophobicContact CD2-CD2 3.61Å; F11-Y72 AromaticContact CD2-CE1 3.91Å; F11-Y72 HydrophobicContact CD2-CE1 3.91Å; F11-Y72 AromaticContact CD2-CE2 3.73Å; F11-Y72 HydrophobicContact CD2-CE2 3.73Å; F11-Y72 AromaticContact CD2-CG 3.64Å; F11-Y72 HydrophobicContact CD2-CG 3.64Å; F11-Y72 AromaticContact CD2-CZ 3.87Å; F11-Y72 HydrophobicContact CE2-CD1 4.33Å; F11-Y72 HydrophobicContact CE2-CD2 4.28Å; F11-Y72 HydrophobicContact CE2-CG 4.03Å; F11-Y72 HydrophobicContact CG-CE2 4.35Å; F11-Y72 PolarHBondContact N-OH 2.73Å; F14-Y72 HydrophobicContact CB-CD2 4.06Å; F14-Y72 HydrophobicContact CB-CE2 4.19Å; F14-Y72 AromaticContact CD1-CD2 3.99Å; F14-Y72 HydrophobicContact CD1-CD2 3.99Å; F14-Y72 HydrophobicContact CD2-CD2 4.03Å; F14-Y72 HydrophobicContact CE1-CD2 4.47Å; F14-Y72 HydrophobicContact CE2-CD2 4.47Å; F14-Y72 AromaticContact CG-CD2 3.76Å; F14-Y72 HydrophobicContact CG-CD2 3.76Å; F14-Y72 HydrophobicContact CG-CE2 4.39Å; Y72-F75 AromaticContact CD2-CD1 3.79Å; Y72-F75 HydrophobicContact CD2-CD1 3.79Å; Y72-F75 HydrophobicContact CD2-CE1 4.35Å; Y72-F75 AromaticContact CE2-CD1 3.87Å; Y72-F75 HydrophobicContact CE2-CD1 3.87Å; Y72-F75 HydrophobicContact CE2-CE1 4.04Å; Y72-F75 WeakPolarHBondContact O-CB 3.4Å; Y72-F75 PolarHBondContact O-N 3.4Å; Y72-Q76 HydrophobicContact CE1-CG 4.29Å; Y72-Q76 HydrophobicContact CE2-CG 4.33Å; Y72-Q76 WeakPolarHBondContact O-CG 3.48Å; Y72-Q76 PolarHBondContact O-N 3.23Å; Y72-Q76 PolarHBondContact OH-NE2 2.89Å
73K94.4Very high94.7Very high157 Ų15767.4 Ų67.468%0.68331%0.314SS*.Hα-helixtrans-66.3-46.1178-67.4-175.9179.6-178.80111.8T71 F75 Q76 Q77T71-K73 VanDerWaalsContact C-N 3.25Å; T71-K73 PolarHBondContact O-N 3.33Å; K73-F75 VanDerWaalsContact C-N 3.27Å; K73-F75 PolarHBondContact O-N 3.36Å; K73-Q76 PolarHBondContact O-N 3.01Å; K73-Q77 WeakPolarHBondContact O-CG 3.39Å; K73-Q77 PolarHBondContact O-N 2.81Å; K73-Q77 VanDerWaalsContact O-N 3.09Å
74E96.4Very high94.6Very high28 Ų2868.6 Ų68.613%0.13133%0.326CS..Hα-helixtrans-66.6-32.6176.5-67.6163.6139.900111.2V62 I70 T71 Q77 A78V62-E74 HydrophobicContact CB-CB 4.41Å; V62-E74 HydrophobicContact CG2-CB 4.32Å; I70-E74 WeakPolarHBondContact CA-OE2 3.41Å; I70-E74 HydrophobicContact CB-CB 3.94Å; I70-E74 HydrophobicContact CG2-CB 4.3Å; T71-E74 PolarHBondContact N-OE2 3.21Å; T71-E74 PolarHBondContact O-N 2.86Å; T71-E74 PolarHBondContact OG1-OE2 2.9Å; E74-Q77 PolarHBondContact O-N 3.1Å; E74-A78 WeakPolarHBondContact O-CB 3.47Å; E74-A78 PolarHBondContact O-N 3.24Å
75F96.3Very high94.5Very high0 Ų065.4 Ų65.40%031%0.31CS..Hα-helixtrans-62.8-43.9171.7163.9-94.8000112.6L10 F14 L30 W35 L38 I70 T71 Y72 K73 Q77 A78 L79 V103L10-F75 HydrophobicContact CD1-CE1 3.97Å; L10-F75 HydrophobicContact CD1-CZ 4.12Å; L10-F75 HydrophobicContact CD2-CE1 4.2Å; L10-F75 HydrophobicContact CG-CE1 3.92Å; F14-F75 HydrophobicContact CB-CE1 4.27Å; F14-F75 HydrophobicContact CB-CZ 4.5Å; F14-F75 HydrophobicContact CD2-CB 4.01Å; F14-F75 AromaticContact CD2-CD1 3.81Å; F14-F75 HydrophobicContact CD2-CD1 3.81Å; F14-F75 AromaticContact CD2-CD2 3.92Å; F14-F75 HydrophobicContact CD2-CD2 3.92Å; F14-F75 HydrophobicContact CD2-CE1 4.24Å; F14-F75 HydrophobicContact CD2-CE2 4.32Å; F14-F75 AromaticContact CD2-CG 3.63Å; F14-F75 HydrophobicContact CD2-CG 3.63Å; F14-F75 HydrophobicContact CD2-CZ 4.47Å; F14-F75 HydrophobicContact CE2-CB 3.85Å; F14-F75 HydrophobicContact CE2-CD1 4.48Å; F14-F75 HydrophobicContact CE2-CD2 4.4Å; F14-F75 HydrophobicContact CE2-CG 4.01Å; L30-F75 HydrophobicContact CD2-CD2 3.95Å; L30-F75 HydrophobicContact CD2-CE2 4.35Å; W35-F75 AromaticContact CE3-CD2 3.79Å; W35-F75 HydrophobicContact CE3-CD2 3.79Å; W35-F75 AromaticContact CE3-CE2 3.94Å; W35-F75 HydrophobicContact CE3-CE2 3.94Å; W35-F75 AromaticContact CZ3-CD2 3.54Å; W35-F75 HydrophobicContact CZ3-CD2 3.54Å; W35-F75 AromaticContact CZ3-CE2 3.53Å; W35-F75 HydrophobicContact CZ3-CE2 3.53Å; L38-F75 HydrophobicContact CD1-CE2 3.68Å; L38-F75 HydrophobicContact CD1-CZ 4.1Å; L38-F75 HydrophobicContact CD2-CE2 4.2Å; I70-F75 HydrophobicContact CD1-CB 3.98Å; I70-F75 HydrophobicContact CG1-CB 4.46Å; T71-F75 WeakPolarHBondContact O-CB 3.22Å; T71-F75 PolarHBondContact O-N 2.88Å; Y72-F75 AromaticContact CD2-CD1 3.79Å; Y72-F75 HydrophobicContact CD2-CD1 3.79Å; Y72-F75 HydrophobicContact CD2-CE1 4.35Å; Y72-F75 AromaticContact CE2-CD1 3.87Å; Y72-F75 HydrophobicContact CE2-CD1 3.87Å; Y72-F75 HydrophobicContact CE2-CE1 4.04Å; Y72-F75 WeakPolarHBondContact O-CB 3.4Å; Y72-F75 PolarHBondContact O-N 3.4Å; K73-F75 VanDerWaalsContact C-N 3.27Å; K73-F75 PolarHBondContact O-N 3.36Å; F75-Q77 VanDerWaalsContact C-N 3.33Å; F75-Q77 PolarHBondContact O-N 3.12Å; F75-A78 WeakPolarHBondContact O-CB 3.41Å; F75-A78 PolarHBondContact O-N 2.93Å; F75-L79 HydrophobicContact CD1-CD1 4.38Å; F75-L79 HydrophobicContact CE1-CD1 3.65Å; F75-L79 HydrophobicContact CE1-CG 4.5Å; F75-L79 HydrophobicContact CE2-CD1 4.21Å; F75-L79 HydrophobicContact CE2-CG 4.38Å; F75-L79 HydrophobicContact CZ-CD1 3.56Å; F75-L79 HydrophobicContact CZ-CG 4.22Å; F75-L79 PolarHBondContact O-N 2.96Å; F75-V103 HydrophobicContact CZ-CG1 4.29Å
76Q94.6Very high94.4Very high62 Ų6257 Ų5729%0.2928%0.278SS..Hα-helixtrans-61.6-42.4174-72178.5-40.500111.3L10 Y72 K73 A78 L79 E80L10-Q76 HydrophobicContact CD2-CG 4.44Å; Y72-Q76 HydrophobicContact CE1-CG 4.29Å; Y72-Q76 HydrophobicContact CE2-CG 4.33Å; Y72-Q76 WeakPolarHBondContact O-CG 3.48Å; Y72-Q76 PolarHBondContact O-N 3.23Å; Y72-Q76 PolarHBondContact OH-NE2 2.89Å; K73-Q76 PolarHBondContact O-N 3.01Å; Q76-A78 VanDerWaalsContact C-N 3.31Å; Q76-A78 PolarHBondContact O-N 3.45Å; Q76-L79 PolarHBondContact O-N 3.46Å; Q76-E80 PolarHBondContact O-N 3.01Å
77Q95.4Very high94.4Very high102 Ų10253.6 Ų53.648%0.47725%0.249SC..Hα-helixtrans-62-37.3174.2-69175.4-11.700112.4V62 K73 E74 F75 E80 E81V62-Q77 HydrophobicContact CG1-CB 4.24Å; K73-Q77 WeakPolarHBondContact O-CG 3.39Å; K73-Q77 PolarHBondContact O-N 2.81Å; K73-Q77 VanDerWaalsContact O-N 3.09Å; E74-Q77 PolarHBondContact O-N 3.1Å; F75-Q77 VanDerWaalsContact C-N 3.33Å; F75-Q77 PolarHBondContact O-N 3.12Å; Q77-E80 WeakPolarHBondContact O-CB 3.36Å; Q77-E80 PolarHBondContact O-N 2.88Å; Q77-E81 WeakPolarHBondContact O-CG 3.49Å; Q77-E81 PolarHBondContact O-N 3.27Å
78A96.3Very high94.1Very high0 Ų060.1 Ų60.10%027%0.272CS..Hα-helixtrans-64.8-40.5175.900000112.2W35 V58 V62 E74 F75 Q76 E80 E81 L82W35-A78 HydrophobicContact CH2-CB 3.62Å; W35-A78 HydrophobicContact CZ2-CB 3.72Å; W35-A78 HydrophobicContact CZ3-CB 4.33Å; V58-A78 HydrophobicContact CG1-CB 3.7Å; V62-A78 HydrophobicContact CG1-CB 4.17Å; V62-A78 HydrophobicContact CG2-CB 3.98Å; E74-A78 WeakPolarHBondContact O-CB 3.47Å; E74-A78 PolarHBondContact O-N 3.24Å; F75-A78 WeakPolarHBondContact O-CB 3.41Å; F75-A78 PolarHBondContact O-N 2.93Å; Q76-A78 VanDerWaalsContact C-N 3.31Å; Q76-A78 PolarHBondContact O-N 3.45Å; A78-E80 VanDerWaalsContact C-N 3.29Å; A78-E80 PolarHBondContact O-N 3.28Å; A78-E81 PolarHBondContact O-N 3.35Å; A78-L82 WeakPolarHBondContact O-CG 3.47Å; A78-L82 PolarHBondContact O-N 2.99Å; A78-L82 VanDerWaalsContact O-N 3.1Å
79L94.9Very high93.7Very high0 Ų053.8 Ų53.80%028%0.276CS..Hα-helixtrans-64.8-36.2173.6-69.2177.6000111.5L10 W35 F75 Q76 L82 A83 I99 V103L10-L79 HydrophobicContact CD1-CD1 3.92Å; L10-L79 HydrophobicContact CD2-CD1 4.18Å; W35-L79 HydrophobicContact CH2-CD2 3.95Å; W35-L79 HydrophobicContact CH2-CG 4.38Å; W35-L79 HydrophobicContact CZ3-CD2 4.11Å; W35-L79 HydrophobicContact CZ3-CG 4.47Å; F75-L79 HydrophobicContact CD1-CD1 4.38Å; F75-L79 HydrophobicContact CE1-CD1 3.65Å; F75-L79 HydrophobicContact CE1-CG 4.5Å; F75-L79 HydrophobicContact CE2-CD1 4.21Å; F75-L79 HydrophobicContact CE2-CG 4.38Å; F75-L79 HydrophobicContact CZ-CD1 3.56Å; F75-L79 HydrophobicContact CZ-CG 4.22Å; F75-L79 PolarHBondContact O-N 2.96Å; Q76-L79 PolarHBondContact O-N 3.46Å; L79-L82 PolarHBondContact O-N 3.48Å; L79-A83 VanDerWaalsContact O-CB 3.3Å; L79-A83 WeakPolarHBondContact O-CB 3.5Å; L79-A83 PolarHBondContact O-N 2.76Å; L79-I99 HydrophobicContact CB-CG2 4.03Å; L79-I99 HydrophobicContact CD2-CD1 4.03Å; L79-I99 HydrophobicContact CD2-CG1 4.26Å; L79-I99 HydrophobicContact CD2-CG2 4.44Å; L79-V103 HydrophobicContact CD2-CG2 4.31Å
80E94.6Very high93.5Very high71 Ų7156.3 Ų56.333%0.33229%0.286SS..Hα-helixtrans-65.9-36.1174.9179.5172-164.100114Q76 Q77 A78 P84 K92 L96Q76-E80 PolarHBondContact O-N 3.01Å; Q77-E80 WeakPolarHBondContact O-CB 3.36Å; Q77-E80 PolarHBondContact O-N 2.88Å; A78-E80 VanDerWaalsContact C-N 3.29Å; A78-E80 PolarHBondContact O-N 3.28Å; E80-P84 WeakPolarHBondContact O-CD 3.36Å; E80-K92 WeakPolarHBondContact OE1-CE 3.49Å; E80-K92 IonicContact OE1-NZ 3.34Å; E80-K92 PolarHBondContact OE1-NZ 2.83Å; E80-L96 HydrophobicContact CB-CD2 3.6Å; E80-L96 HydrophobicContact CG-CD1 4.39Å; E80-L96 HydrophobicContact CG-CD2 3.93Å
81E94.9Very high93.3Very high74 Ų7461 Ų6135%0.34632%0.315SS..Hα-helixtrans-68.4-35.5172.3-74-96.3157.800112.4V58 K61 Q77 A78V58-E81 HydrophobicContact CG1-CB 3.87Å; V58-E81 HydrophobicContact CG1-CG 4.49Å; V58-E81 HydrophobicContact CG2-CB 4.12Å; K61-E81 VanDerWaalsContact CE-OE1 3.31Å; K61-E81 WeakPolarHBondContact CE-OE1 3.46Å; K61-E81 IonicContact NZ-OE1 2.63Å; K61-E81 PolarHBondContact NZ-OE1 3.09Å; K61-E81 IonicContact NZ-OE2 2.71Å; K61-E81 PolarHBondContact NZ-OE2 2.63Å; Q77-E81 WeakPolarHBondContact O-CG 3.49Å; Q77-E81 PolarHBondContact O-N 3.27Å; A78-E81 PolarHBondContact O-N 3.35Å
82L94.4Very high92.9Very high0 Ų064.3 Ų64.30%032%0.324CS..Hα-helixtrans-83.4-30.2-178.7-71.7-179.3000113.9W35 V44 V50 V55 V58 A78 L79 K85 R86 I99W35-L82 HydrophobicContact CH2-CD1 3.92Å; W35-L82 HydrophobicContact CZ2-CD1 3.57Å; V44-L82 HydrophobicContact CG1-CD1 3.87Å; V50-L82 HydrophobicContact CG1-CD2 3.92Å; V50-L82 HydrophobicContact CG2-CD2 4.4Å; V55-L82 HydrophobicContact CG2-CD1 4.22Å; V58-L82 HydrophobicContact CB-CD2 4.4Å; V58-L82 HydrophobicContact CB-CG 4.48Å; V58-L82 HydrophobicContact CG1-CG 4.33Å; V58-L82 HydrophobicContact CG2-CD2 3.75Å; V58-L82 HydrophobicContact CG2-CG 4.17Å; A78-L82 WeakPolarHBondContact O-CG 3.47Å; A78-L82 PolarHBondContact O-N 2.99Å; A78-L82 VanDerWaalsContact O-N 3.1Å; L79-L82 PolarHBondContact O-N 3.48Å; L82-K85 WeakPolarHBondContact O-CB 3.29Å; L82-K85 PolarHBondContact O-N 2.91Å; L82-R86 WeakPolarHBondContact O-CB 3.24Å; L82-R86 PolarHBondContact O-N 3.27Å; L82-I99 HydrophobicContact CB-CD1 3.79Å
83A93.8Very high92.6Very high0 Ų069.7 Ų69.70%035%0.35CS..Hα-helixtrans-50.7-54.7-178.600000114L79 K85 R86 F87 A95 L96 I99L79-A83 VanDerWaalsContact O-CB 3.3Å; L79-A83 WeakPolarHBondContact O-CB 3.5Å; L79-A83 PolarHBondContact O-N 2.76Å; A83-K85 VanDerWaalsContact C-N 3.3Å; A83-K85 PolarHBondContact O-N 3.35Å; A83-R86 PolarHBondContact O-N 3.27Å; A83-F87 PolarHBondContact O-N 3.45Å; A83-A95 HydrophobicContact CB-CB 3.96Å; A83-L96 HydrophobicContact CB-CD2 3.93Å; A83-L96 HydrophobicContact CB-CG 4.28Å; A83-I99 HydrophobicContact CB-CB 4.46Å; A83-I99 HydrophobicContact CB-CG2 4.09Å
84P92.9Very high92.4Very high66 Ų6663.9 Ų63.943%0.42933%0.332SS..Hα-helixtrans-69.7-27.2-178.828.3-35.6000112.8E80E80-P84 WeakPolarHBondContact O-CD 3.36Å
85K92.3Very high92.2Very high78 Ų7862.6 Ų62.634%0.33933%0.326SS..Hα-helixtrans-67.8-42.7173.4-77.1-172.3170.9-173.30111.1S49 V50 D54 L82 A83S49-K85 VanDerWaalsContact CB-O 3.31Å; S49-K85 WeakPolarHBondContact CB-O 3.35Å; S49-K85 PolarHBondContact OG-O 2.9Å; V50-K85 HydrophobicContact CG2-CB 4.01Å; D54-K85 IonicContact OD1-NZ 2.81Å; D54-K85 PolarHBondContact OD1-NZ 3.45Å; L82-K85 WeakPolarHBondContact O-CB 3.29Å; L82-K85 PolarHBondContact O-N 2.91Å; A83-K85 VanDerWaalsContact C-N 3.3Å; A83-K85 PolarHBondContact O-N 3.35Å
86R90.8Very high92Very high69 Ų6964.2 Ų64.226%0.2633%0.334SS..Hα-helixtrans-74.9-44.1-176.9-17760.5177.7106.44.4113.3V44 D46 V50 L82 A83V44-R86 WeakPolarHBondContact O-CD 3.48Å; D46-R86 IonicContact OD2-CZ 3.52Å; D46-R86 IonicContact OD2-NE 3.71Å; D46-R86 IonicContact OD2-NH1 2.88Å; D46-R86 PolarHBondContact OD2-NH1 3.14Å; V50-R86 HydrophobicContact CG2-CB 3.92Å; L82-R86 WeakPolarHBondContact O-CB 3.24Å; L82-R86 PolarHBondContact O-N 3.27Å; A83-R86 PolarHBondContact O-N 3.27Å
87F91.4Very high91.8Very high41 Ų4167 Ų6718%0.1835%0.347CS..SBendtrans-112.165.4-174.7-60.2-77000111A83 G89 Q90 A95 I99 L102A83-F87 PolarHBondContact O-N 3.45Å; F87-G89 PolarHBondContact O-N 3.32Å; F87-Q90 HydrophobicContact CB-CB 4.46Å; F87-Q90 HydrophobicContact CB-CG 4.34Å; F87-Q90 PolarHBondContact O-N 3.18Å; F87-A95 HydrophobicContact CB-CB 3.95Å; F87-A95 HydrophobicContact CD2-CB 4.44Å; F87-I99 HydrophobicContact CE2-CB 3.93Å; F87-I99 HydrophobicContact CE2-CG1 4.36Å; F87-L102 HydrophobicContact CE2-CD1 4.39Å; F87-L102 HydrophobicContact CZ-CD1 3.8Å
88K87.1Confident91.6Very high165 Ų16563.6 Ų63.672%0.71734%0.335SS*.THydrogen-bonded Turntrans-59.1132.6177.8-61.9-176.7-178.6-179.90110.4
89G85Confident91.5Very high89 Ų8963.6 Ų63.692%0.91834%0.335SS*.THydrogen-bonded Turntrans91.4-3.2178.200000115.3F87F87-G89 PolarHBondContact O-N 3.32Å
90Q90.8Very high91.4Very high91 Ų9165.8 Ų65.843%0.42535%0.345SS..SBendtrans-90.8159168.7-67.3-173.5-11.100111.4F87 A94 A95 S98F87-Q90 HydrophobicContact CB-CB 4.46Å; F87-Q90 HydrophobicContact CB-CG 4.34Å; F87-Q90 PolarHBondContact O-N 3.18Å; Q90-A94 HydrophobicContact CB-CB 4.26Å; Q90-A94 PolarHBondContact OE1-O 3.31Å; Q90-A95 HydrophobicContact CB-CB 4.3Å; Q90-S98 PolarHBondContact OE1-OG 3.17Å
91T92.6Very high91.3Very high100 Ų10069.5 Ų69.561%0.61336%0.36SS*.  trans-64.9153.9167.162.10000109.8E93 A94 A95T91-E93 PolarHBondContact O-N 3.12Å; T91-A94 PolarHBondContact O-N 2.82Å; T91-A94 VanDerWaalsContact O-N 3.12Å; T91-A94 WeakPolarHBondContact OG1-CB 3.5Å; T91-A94 PolarHBondContact OG1-N 3.39Å; T91-A95 WeakPolarHBondContact O-CB 3.32Å; T91-A95 PolarHBondContact O-N 3.24Å
92K87.8Confident91.3Very high124 Ų12468.4 Ų68.454%0.53936%0.357SS..Hα-helixtrans-52.4-43.1-178.8-170.6-179.7176.8-166.40111.8E80 L96E80-K92 WeakPolarHBondContact OE1-CE 3.49Å; E80-K92 IonicContact OE1-NZ 3.34Å; E80-K92 PolarHBondContact OE1-NZ 2.83Å; K92-L96 VanDerWaalsContact O-CG 3.25Å; K92-L96 WeakPolarHBondContact O-CG 3.36Å; K92-L96 PolarHBondContact O-N 3.37Å
93E88.4Confident91.2Very high146 Ų14668.4 Ų68.468%0.68236%0.357SS*.Hα-helixtrans-67.9-42.2179.3-62.9177-177.100113.1T91 A95 L96 Q97T91-E93 PolarHBondContact O-N 3.12Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.22Å; E93-L96 WeakPolarHBondContact O-CB 3.43Å; E93-L96 PolarHBondContact O-N 3.15Å; E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 3.45Å
94A90Very high91.1Very high35 Ų3571.8 Ų71.829%0.28937%0.372SS..Hα-helixtrans-67.4-36.7177.800000112Q90 T91 Q97 S98Q90-A94 HydrophobicContact CB-CB 4.26Å; Q90-A94 PolarHBondContact OE1-O 3.31Å; T91-A94 PolarHBondContact O-N 2.82Å; T91-A94 VanDerWaalsContact O-N 3.12Å; T91-A94 WeakPolarHBondContact OG1-CB 3.5Å; T91-A94 PolarHBondContact OG1-N 3.39Å; A94-Q97 PolarHBondContact O-N 3.41Å; A94-S98 WeakPolarHBondContact O-CB 3.25Å; A94-S98 PolarHBondContact O-N 2.99Å; A94-S98 PolarHBondContact O-OG 2.85Å
95A92.1Very high90.8Very high1 Ų171.4 Ų71.41%0.00838%0.38CS..Hα-helixtrans-65.2-40.8175.100000111.6A83 F87 Q90 T91 E93 S98 I99A83-A95 HydrophobicContact CB-CB 3.96Å; F87-A95 HydrophobicContact CB-CB 3.95Å; F87-A95 HydrophobicContact CD2-CB 4.44Å; Q90-A95 HydrophobicContact CB-CB 4.3Å; T91-A95 WeakPolarHBondContact O-CB 3.32Å; T91-A95 PolarHBondContact O-N 3.24Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.22Å; A95-S98 PolarHBondContact O-N 3.41Å; A95-I99 PolarHBondContact O-N 3.36Å
96L90.9Very high90.7Very high34 Ų3471.4 Ų71.418%0.17838%0.382CS..Hα-helixtrans-61.7-48.2174.4-76.4172.4000112E80 A83 K92 E93 S98 I99 H100E80-L96 HydrophobicContact CB-CD2 3.6Å; E80-L96 HydrophobicContact CG-CD1 4.39Å; E80-L96 HydrophobicContact CG-CD2 3.93Å; A83-L96 HydrophobicContact CB-CD2 3.93Å; A83-L96 HydrophobicContact CB-CG 4.28Å; K92-L96 VanDerWaalsContact O-CG 3.25Å; K92-L96 WeakPolarHBondContact O-CG 3.36Å; K92-L96 PolarHBondContact O-N 3.37Å; E93-L96 WeakPolarHBondContact O-CB 3.43Å; E93-L96 PolarHBondContact O-N 3.15Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 2.91Å; L96-I99 WeakPolarHBondContact O-CG2 3.05Å; L96-I99 PolarHBondContact O-N 3.25Å; L96-H100 WeakPolarHBondContact O-CB 3.31Å; L96-H100 PolarHBondContact O-CD2 3.36Å; L96-H100 VanDerWaalsContact O-CD2 3.24Å; L96-H100 PolarHBondContact O-N 3.3Å
97Q91.1Very high90.7Very high120 Ų12073.1 Ų73.156%0.56139%0.393SS*.Hα-helixtrans-62.2-38.5177.1-69.7178.18.800111.5E93 A94 H100 K101E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 3.45Å; A94-Q97 PolarHBondContact O-N 3.41Å; Q97-H100 PolarHBondContact O-N 2.88Å; Q97-K101 WeakPolarHBondContact O-CB 3.47Å; Q97-K101 WeakPolarHBondContact O-CG 3.45Å; Q97-K101 PolarHBondContact O-N 2.96Å
98S92.6Very high90.7Very high32 Ų3272.4 Ų72.422%0.22439%0.392CS..Hα-helixtrans-65.3-41177.9-60.80000112.1Q90 A94 A95 L96 L102Q90-S98 PolarHBondContact OE1-OG 3.17Å; A94-S98 WeakPolarHBondContact O-CB 3.25Å; A94-S98 PolarHBondContact O-N 2.99Å; A94-S98 PolarHBondContact O-OG 2.85Å; A95-S98 PolarHBondContact O-N 3.41Å; L96-S98 VanDerWaalsContact C-N 3.26Å; L96-S98 PolarHBondContact O-N 2.91Å; S98-L102 PolarHBondContact O-N 3.06Å
99I93.4Very high90.7Very high0 Ų068 Ų680%038%0.379CS..Hα-helixtrans-72.1-36.4177.3-150.8173.7000111.9V44 L79 L82 A83 F87 A95 L96 L102 V103V44-I99 HydrophobicContact CG1-CD1 3.87Å; V44-I99 HydrophobicContact CG1-CG1 4.4Å; V44-I99 HydrophobicContact CG2-CD1 4.42Å; V44-I99 HydrophobicContact CG2-CG1 4.11Å; L79-I99 HydrophobicContact CB-CG2 4.03Å; L79-I99 HydrophobicContact CD2-CD1 4.03Å; L79-I99 HydrophobicContact CD2-CG1 4.26Å; L79-I99 HydrophobicContact CD2-CG2 4.44Å; L82-I99 HydrophobicContact CB-CD1 3.79Å; A83-I99 HydrophobicContact CB-CB 4.46Å; A83-I99 HydrophobicContact CB-CG2 4.09Å; F87-I99 HydrophobicContact CE2-CB 3.93Å; F87-I99 HydrophobicContact CE2-CG1 4.36Å; A95-I99 PolarHBondContact O-N 3.36Å; L96-I99 WeakPolarHBondContact O-CG2 3.05Å; L96-I99 PolarHBondContact O-N 3.25Å; I99-L102 WeakPolarHBondContact O-CB 3.39Å; I99-L102 PolarHBondContact O-N 3.3Å; I99-V103 PolarHBondContact O-N 2.95Å
100H93.1Very high90.5Very high46 Ų4668.5 Ų68.521%0.21336%0.361CS..Hα-helixtrans-60.7-48.6174.6-74.2-162.3000110.6L96 Q97 L102 V103 E104L96-H100 WeakPolarHBondContact O-CB 3.31Å; L96-H100 PolarHBondContact O-CD2 3.36Å; L96-H100 VanDerWaalsContact O-CD2 3.24Å; L96-H100 PolarHBondContact O-N 3.3Å; Q97-H100 PolarHBondContact O-N 2.88Å; H100-L102 PolarHBondContact O-N 3.46Å; H100-L102 VanDerWaalsContact O-N 3.12Å; H100-V103 PolarHBondContact O-N 3.44Å; H100-E104 VanDerWaalsContact O-CG 3.25Å; H100-E104 WeakPolarHBondContact O-CG 3.24Å; H100-E104 PolarHBondContact O-N 3.32Å
101K92.9Very high89.7Confident149 Ų14970 Ų7065%0.64838%0.376SS*.Hα-helixtrans-57.2-28.9176.9-76.4177.8-179.4179.30114.1Q97 V103Q97-K101 WeakPolarHBondContact O-CB 3.47Å; Q97-K101 WeakPolarHBondContact O-CG 3.45Å; Q97-K101 PolarHBondContact O-N 2.96Å; K101-V103 VanDerWaalsContact C-N 3.34Å
102L92.9Very high88.6Confident51 Ų5169.2 Ų69.227%0.26739%0.388SS..Hα-helixtrans-71.4-30.9174.8-72.4179.5000112.6F87 S98 I99 H100 Q106F87-L102 HydrophobicContact CE2-CD1 4.39Å; F87-L102 HydrophobicContact CZ-CD1 3.8Å; S98-L102 PolarHBondContact O-N 3.06Å; I99-L102 WeakPolarHBondContact O-CB 3.39Å; I99-L102 PolarHBondContact O-N 3.3Å; H100-L102 PolarHBondContact O-N 3.46Å; H100-L102 VanDerWaalsContact O-N 3.12Å; L102-Q106 WeakPolarHBondContact O-CG 3.26Å
103V93.6Very high87.9Confident0 Ų067.4 Ų67.40%039%0.387CS..Hα-helixtrans-94.2-34.1-175.3-179.30000111.7L10 A13 L38 C42 V44 F75 L79 I99 H100 K101 G105 Q106L10-V103 HydrophobicContact CD1-CB 3.84Å; L10-V103 HydrophobicContact CD1-CG1 3.7Å; A13-V103 HydrophobicContact CB-CG1 3.96Å; A13-V103 VanDerWaalsContact CB-O 3.24Å; A13-V103 WeakPolarHBondContact CB-O 3.32Å; L38-V103 HydrophobicContact CD1-CG1 4.27Å; L38-V103 HydrophobicContact CD2-CG1 3.94Å; L38-V103 HydrophobicContact CD2-CG2 3.98Å; L38-V103 HydrophobicContact CG-CG1 4.33Å; C42-V103 HydrophobicContact CB-CG2 4Å; V44-V103 HydrophobicContact CG2-CG2 4.1Å; F75-V103 HydrophobicContact CZ-CG1 4.29Å; L79-V103 HydrophobicContact CD2-CG2 4.31Å; I99-V103 PolarHBondContact O-N 2.95Å; H100-V103 PolarHBondContact O-N 3.44Å; K101-V103 VanDerWaalsContact C-N 3.34Å; V103-G105 PolarHBondContact O-N 2.67Å; V103-Q106 WeakPolarHBondContact O-CB 3.06Å; V103-Q106 PolarHBondContact O-N 2.82Å; V103-Q106 VanDerWaalsContact O-N 3.12Å
104E91.6Very high87Confident70 Ų7066.6 Ų66.633%0.32739%0.392SS..THydrogen-bonded Turntrans-56.1131.3178.4-72.9173.4-179.900111.3P9 L10 H100 Q106P9-E104 HydrophobicContact CB-CB 4.11Å; P9-E104 HydrophobicContact CB-CG 3.9Å; L10-E104 HydrophobicContact CB-CG 4.19Å; H100-E104 VanDerWaalsContact O-CG 3.25Å; H100-E104 WeakPolarHBondContact O-CG 3.24Å; H100-E104 PolarHBondContact O-N 3.32Å; E104-Q106 PolarHBondContact O-N 3.05Å
105G85.9Confident86.2Confident58 Ų5874.5 Ų74.560%0.59842%0.42SS*.THydrogen-bonded Turntrans74.4-4.8-179.800000115.5V103V103-G105 PolarHBondContact O-N 2.67Å
106Q90.6Very high85.2Confident78 Ų7880.3 Ų80.336%0.36446%0.455SS..  trans-75.9153.2177.8-63.8-58.7-37.700112.6F17 C42 L102 V103 E104F17-Q106 HydrophobicContact CE2-CB 4.32Å; C42-Q106 HydrophobicContact CB-CG 4.25Å; C42-Q106 WeakPolarHBondContact SG-CB 3.48Å; L102-Q106 WeakPolarHBondContact O-CG 3.26Å; V103-Q106 WeakPolarHBondContact O-CB 3.06Å; V103-Q106 PolarHBondContact O-N 2.82Å; V103-Q106 VanDerWaalsContact O-N 3.12Å; E104-Q106 PolarHBondContact O-N 3.05Å
107E91Very high84.3Confident106 Ų10681.8 Ų81.850%0.49547%0.472SS..  trans-131.6151176.9-52.6-162.8152.900111K16 T109K16-E107 HydrophobicContact CD-CB 4.41Å; K16-E107 HydrophobicContact CD-CG 3.68Å; K16-E107 VanDerWaalsContact CE-OE1 3.26Å; K16-E107 WeakPolarHBondContact CE-OE1 3.45Å; K16-E107 IonicContact NZ-OE1 3.79Å; K16-E107 PolarHBondContact NZ-OE1 2.98Å; E107-T109 PolarHBondContact O-N 2.63Å; E107-T109 PolarHBondContact O-OG1 2.94Å
108P91.5Very high83.4Confident25 Ų2584.9 Ų84.916%0.16248%0.484CS..  trans-60.8121.2176.4-10.319.2000110.8F17 Y20 D41F17-P108 HydrophobicContact CD1-CB 3.9Å; F17-P108 HydrophobicContact CD1-CG 3.7Å; F17-P108 HydrophobicContact CD2-CG 4.34Å; F17-P108 VanDerWaalsContact CE1-CA 3.49Å; F17-P108 HydrophobicContact CE1-CB 3.76Å; F17-P108 HydrophobicContact CE1-CG 3.9Å; F17-P108 HydrophobicContact CG-CG 3.93Å; F17-P108 HydrophobicContact CZ-CB 4.37Å; F17-P108 HydrophobicContact CZ-CG 4.3Å; Y20-P108 HydrophobicContact CD1-CB 3.98Å; Y20-P108 HydrophobicContact CD2-CB 3.33Å; Y20-P108 HydrophobicContact CD2-CG 3.75Å; Y20-P108 HydrophobicContact CE1-CB 4.33Å; Y20-P108 HydrophobicContact CE2-CB 3.71Å; Y20-P108 HydrophobicContact CG-CB 3.45Å; Y20-P108 VanDerWaalsContact CG-CB 3.45Å; Y20-P108 HydrophobicContact CG-CG 3.72Å; D41-P108 WeakPolarHBondContact OD2-CA 3.44Å
109T87.1Confident83Confident74 Ų7486.8 Ų86.845%0.45449%0.494SS..  trans-102.2134.2-176-590000111.7K37 D41 E107 V111K37-T109 PolarHBondContact NZ-O 3.03Å; D41-T109 PolarHBondContact OD2-N 3.27Å; E107-T109 PolarHBondContact O-N 2.63Å; E107-T109 PolarHBondContact O-OG1 2.94Å; T109-V111 HydrophobicContact CG2-CG2 3.97Å; T109-V111 PolarHBondContact O-N 3.23Å; T109-V111 VanDerWaalsContact O-N 3.17Å
110N81.8Confident82.6Confident98 Ų9890.6 Ų90.652%0.52453%0.526SS..  trans-84.679.8174.8-72-19.3000110.7Y20 V113Y20-N110 WeakPolarHBondContact CE2-OD1 3.44Å; Y20-N110 PolarHBondContact OH-OD1 3.39Å; N110-V113 HydrophobicContact CB-CB 4.27Å; N110-V113 HydrophobicContact CB-CG2 3.78Å
111V73.9Confident82.2Confident122 Ų12292 Ų9274%0.73954%0.538SS*.THydrogen-bonded Turntrans-77.7129.3176.7-1740000110.1T109 V113T109-V111 HydrophobicContact CG2-CG2 3.97Å; T109-V111 PolarHBondContact O-N 3.23Å; T109-V111 VanDerWaalsContact O-N 3.17Å; V111-V113 VanDerWaalsContact C-N 3.34Å; V111-V113 PolarHBondContact O-N 3.12Å
112G68.7Low81.9Confident84 Ų8487.9 Ų87.987%0.86653%0.525SS*.THydrogen-bonded Turntrans79.19.6174.300000115.5
113V71.9Confident81.6Confident87 Ų8790 Ų9053%0.52754%0.537SS..  trans-80.1140.8175.1-176.80000110N110 V111 K115N110-V113 HydrophobicContact CB-CB 4.27Å; N110-V113 HydrophobicContact CB-CG2 3.78Å; V111-V113 VanDerWaalsContact C-N 3.34Å; V111-V113 PolarHBondContact O-N 3.12Å; V113-K115 PolarHBondContact O-N 3.49Å; V113-K115 VanDerWaalsContact O-N 3.09Å
114T70.8Confident81.3Confident129 Ų12997.6 Ų97.679%0.79157%0.565SS**  trans-57.6112.7171.647.90000109.5V116T114-V116 PolarHBondContact O-N 3Å
115K72.7Confident81Confident200 Ų20099.8 Ų99.887%0.8758%0.578SS**  trans-63.3134.8173.2-64.4-177.3-179-179.10108.3V113 A117V113-K115 PolarHBondContact O-N 3.49Å; V113-K115 VanDerWaalsContact O-N 3.09Å; K115-A117 PolarHBondContact O-N 3.41Å; K115-A117 VanDerWaalsContact O-N 3.14Å
116V71.5Confident81Confident124 Ų124101.1 Ų101.175%0.75258%0.575SS**  trans-58.3120.8172.4179.30000107.9T114 K118T114-V116 PolarHBondContact O-N 3Å; V116-K118 PolarHBondContact O-N 3Å
117A70.8Confident81Confident64 Ų6499.6 Ų99.653%0.52957%0.57SS.*  trans-70.695.9175.900000109K115 T119K115-A117 PolarHBondContact O-N 3.41Å; K115-A117 VanDerWaalsContact O-N 3.14Å; A117-T119 VanDerWaalsContact C-N 3.26Å; A117-T119 PolarHBondContact O-N 3.09Å
118K73.4Confident80.9Confident186 Ų18696 Ų9681%0.80955%0.554SS**  trans-81.374.4172.7-61.7-172.5-179.5-174.60109.5V116V116-K118 PolarHBondContact O-N 3Å
119T83.9Confident80.8Confident71 Ų7199.2 Ų99.244%0.43658%0.578SS.*  trans-106.1134174.9-51.80000108.1A117 T121 V122 D123A117-T119 VanDerWaalsContact C-N 3.26Å; A117-T119 PolarHBondContact O-N 3.09Å; T119-T121 PolarHBondContact O-N 2.94Å; T119-V122 WeakPolarHBondContact O-CA 3.41Å; T119-V122 WeakPolarHBondContact O-CB 3.2Å; T119-V122 PolarHBondContact O-N 3.01Å; T119-D123 PolarHBondContact O-N 3.3Å; T119-D123 VanDerWaalsContact O-N 3.15Å
120A84.6Confident80.8Confident81 Ų81103.6 Ų103.667%0.66959%0.586SS**Hα-helixtrans-53.1-29.1177.500000113R124A120-R124 WeakPolarHBondContact O-CB 3.37Å; A120-R124 PolarHBondContact O-N 3.02Å
121T85.9Confident81.2Confident76 Ų76102.4 Ų102.447%0.46658%0.575SS.*Hα-helixtrans-64-43.3172.5-52.90000112.5T119 R124 L125T119-T121 PolarHBondContact O-N 2.94Å; T121-R124 PolarHBondContact O-N 3.43Å; T121-L125 HydrophobicContact CG2-CD1 3.94Å; T121-L125 HydrophobicContact CG2-CG 4.45Å; T121-L125 WeakPolarHBondContact O-CB 3.41Å; T121-L125 WeakPolarHBondContact O-CG 3.47Å; T121-L125 PolarHBondContact O-N 3.44Å
122V85.4Confident82Confident61 Ų61102.1 Ų102.137%0.3757%0.574SS.*Hα-helixtrans-65.7-46.6177.9177.70000109.3T119 R124 L125 T126T119-V122 WeakPolarHBondContact O-CA 3.41Å; T119-V122 WeakPolarHBondContact O-CB 3.2Å; T119-V122 PolarHBondContact O-N 3.01Å; V122-R124 VanDerWaalsContact C-N 3.28Å; V122-R124 PolarHBondContact O-N 2.99Å; V122-L125 PolarHBondContact O-N 3.15Å; V122-T126 HydrophobicContact CG1-CG2 4.35Å; V122-T126 PolarHBondContact O-N 3.14Å; V122-T126 PolarHBondContact O-OG1 3.5Å
123D86.5Confident83Confident97 Ų97101 Ų10152%0.51956%0.561SS.*Hα-helixtrans-56.6-43.9177.8-62.1-25.9000111.3T119 L125 T126 D127T119-D123 PolarHBondContact O-N 3.3Å; T119-D123 VanDerWaalsContact O-N 3.15Å; D123-L125 PolarHBondContact O-N 2.81Å; D123-T126 PolarHBondContact O-N 2.98Å; D123-D127 WeakPolarHBondContact O-CB 3.45Å; D123-D127 PolarHBondContact O-N 2.99Å; D123-D127 VanDerWaalsContact O-N 3.13Å
124R87.5Confident83.6Confident158 Ų158100.8 Ų100.860%0.59656%0.564SS**Hα-helixtrans-65.5-37.1176-168.8-174.373.9178.42.7113A120 T121 V122 T126A120-R124 WeakPolarHBondContact O-CB 3.37Å; A120-R124 PolarHBondContact O-N 3.02Å; T121-R124 PolarHBondContact O-N 3.43Å; V122-R124 VanDerWaalsContact C-N 3.28Å; V122-R124 PolarHBondContact O-N 2.99Å; R124-T126 VanDerWaalsContact C-N 3.34Å
125L86.3Confident84.3Confident116 Ų11699.1 Ų99.161%0.60755%0.547SS*.Hα-helixtrans-76.4-21.9-178.9-72.9172.8000112.8T121 V122 D123T121-L125 HydrophobicContact CG2-CD1 3.94Å; T121-L125 HydrophobicContact CG2-CG 4.45Å; T121-L125 WeakPolarHBondContact O-CB 3.41Å; T121-L125 WeakPolarHBondContact O-CG 3.47Å; T121-L125 PolarHBondContact O-N 3.44Å; V122-L125 PolarHBondContact O-N 3.15Å; D123-L125 PolarHBondContact O-N 2.81Å
126T85.7Confident85.1Confident87 Ų8795.7 Ų95.753%0.53453%0.532SS..SBendtrans-107.46.4-179.859.80000113.9V122 D123 R124 T128V122-T126 HydrophobicContact CG1-CG2 4.35Å; V122-T126 PolarHBondContact O-N 3.14Å; V122-T126 PolarHBondContact O-OG1 3.5Å; D123-T126 PolarHBondContact O-N 2.98Å; R124-T126 VanDerWaalsContact C-N 3.34Å; T126-T128 PolarHBondContact O-N 3.23Å; T126-T128 VanDerWaalsContact O-N 3.14Å
127D89.3Confident86Confident46 Ų4695 Ų9525%0.24652%0.521CS..  trans-75.797.3178.8-177.93.3000111.2D123 S129 R130D123-D127 WeakPolarHBondContact O-CB 3.45Å; D123-D127 PolarHBondContact O-N 2.99Å; D123-D127 VanDerWaalsContact O-N 3.13Å; D127-S129 VanDerWaalsContact CG-OG 3.31Å; D127-S129 PolarHBondContact O-N 2.95Å; D127-S129 VanDerWaalsContact OD1-CB 3.26Å; D127-S129 WeakPolarHBondContact OD1-CB 3.33Å; D127-S129 PolarHBondContact OD1-N 2.82Å; D127-S129 PolarHBondContact OD1-OG 3.43Å; D127-S129 PolarHBondContact OD2-OG 3.02Å; D127-R130 PolarHBondContact O-N 3.2Å; D127-R130 WeakPolarHBondContact OD2-CD 3.46Å; D127-R130 WeakPolarHBondContact OD2-CG 3.26Å; D127-R130 IonicContact OD2-CZ 3.78Å; D127-R130 IonicContact OD2-NE 2.73Å; D127-R130 PolarHBondContact OD2-NE 3.06Å; D127-R130 IonicContact OD2-NH2 2.63Å
128T89.9Confident86.9Confident29 Ų2996.3 Ų96.318%0.17851%0.512CS..G310 helixtrans-70.6-17.1179.761.80000113.2T126 R130 Y131 F139 G143T126-T128 PolarHBondContact O-N 3.23Å; T126-T128 VanDerWaalsContact O-N 3.14Å; T128-R130 PolarHBondContact O-N 2.75Å; T128-Y131 HydrophobicContact CG2-CD2 4.19Å; T128-Y131 HydrophobicContact CG2-CE2 3.59Å; T128-Y131 WeakPolarHBondContact O-CB 3.49Å; T128-Y131 PolarHBondContact O-N 3.35Å; T128-Y131 VanDerWaalsContact O-N 3.1Å; T128-F139 HydrophobicContact CG2-CD1 3.94Å; T128-F139 HydrophobicContact CG2-CE1 4.29Å; T128-F139 HydrophobicContact CG2-CG 4.1Å; T128-G143 WeakPolarHBondContact OG1-CA 3.06Å
129S88.6Confident87.8Confident94 Ų9490.2 Ų90.266%0.65749%0.486SS*.G310 helixtrans-66.3-23.1179.176.30000112.6D127 Y131D127-S129 VanDerWaalsContact CG-OG 3.31Å; D127-S129 PolarHBondContact O-N 2.95Å; D127-S129 VanDerWaalsContact OD1-CB 3.26Å; D127-S129 WeakPolarHBondContact OD1-CB 3.33Å; D127-S129 PolarHBondContact OD1-N 2.82Å; D127-S129 PolarHBondContact OD1-OG 3.43Å; D127-S129 PolarHBondContact OD2-OG 3.02Å; S129-Y131 VanDerWaalsContact C-N 3.32Å
130R88.5Confident88Confident165 Ų16589.3 Ų89.362%0.62348%0.478SS*.G310 helixtrans-85.2-3.5177.1-61.3-178.6-170.1-145.5-4113.3D127 T128D127-R130 PolarHBondContact O-N 3.2Å; D127-R130 WeakPolarHBondContact OD2-CD 3.46Å; D127-R130 WeakPolarHBondContact OD2-CG 3.26Å; D127-R130 IonicContact OD2-CZ 3.78Å; D127-R130 IonicContact OD2-NE 2.73Å; D127-R130 PolarHBondContact OD2-NE 3.06Å; D127-R130 IonicContact OD2-NH2 2.63Å; T128-R130 PolarHBondContact O-N 2.75Å
131Y90.3Very high88.1Confident73 Ų7394.1 Ų94.129%0.28649%0.493SS..  trans-71.5137.4177.1-63.7-13.3000110.5T128 S129 K136 F139T128-Y131 HydrophobicContact CG2-CD2 4.19Å; T128-Y131 HydrophobicContact CG2-CE2 3.59Å; T128-Y131 WeakPolarHBondContact O-CB 3.49Å; T128-Y131 PolarHBondContact O-N 3.35Å; T128-Y131 VanDerWaalsContact O-N 3.1Å; S129-Y131 VanDerWaalsContact C-N 3.32Å; Y131-K136 WeakPolarHBondContact O-CB 3.32Å; Y131-F139 AromaticContact CD2-CD2 3.58Å; Y131-F139 HydrophobicContact CD2-CD2 3.58Å; Y131-F139 AromaticContact CD2-CE2 3.56Å; Y131-F139 HydrophobicContact CD2-CE2 3.56Å; Y131-F139 HydrophobicContact CD2-CG 4.44Å; Y131-F139 HydrophobicContact CD2-CZ 4.4Å; Y131-F139 AromaticContact CE2-CD2 3.8Å; Y131-F139 HydrophobicContact CE2-CD2 3.8Å; Y131-F139 HydrophobicContact CE2-CE1 4.49Å; Y131-F139 AromaticContact CE2-CE2 3.42Å; Y131-F139 HydrophobicContact CE2-CE2 3.42Å; Y131-F139 VanDerWaalsContact CE2-CE2 3.42Å; Y131-F139 HydrophobicContact CE2-CG 4.49Å; Y131-F139 AromaticContact CE2-CZ 3.82Å; Y131-F139 HydrophobicContact CE2-CZ 3.82Å
132T90.3Very high88Confident117 Ų11795.2 Ų95.272%0.71850%0.503SS*.  trans-121.2161.6-177.5590000111.1H135T132-H135 PolarHBondContact O-N 3.13Å
133G88.2Confident88Confident59 Ų5993.5 Ų93.561%0.60850%0.498SS*.THydrogen-bonded Turntrans59.8-143.2178.700000112.4H135 K136G133-H135 PolarHBondContact O-N 3.12Å; G133-H135 VanDerWaalsContact O-N 3.12Å; G133-K136 VanDerWaalsContact O-CB 3.31Å; G133-K136 WeakPolarHBondContact O-CB 3.41Å; G133-K136 PolarHBondContact O-N 3.43Å
134S85.8Confident88Confident84 Ų8497.9 Ų97.959%0.58751%0.507SS*.Hα-helixtrans-61.9-21-178.260.80000114.4K136S134-K136 VanDerWaalsContact C-N 3.32Å
135H86.3Confident88.2Confident94 Ų9492.4 Ų92.444%0.43550%0.5SS..Hα-helixtrans-72-25.9174.1-92.9-100.9000112.8T132 G133 R138 F139T132-H135 PolarHBondContact O-N 3.13Å; G133-H135 PolarHBondContact O-N 3.12Å; G133-H135 VanDerWaalsContact O-N 3.12Å; H135-R138 PolarHBondContact O-N 2.98Å; H135-F139 WeakPolarHBondContact O-CD2 3.49Å
136K89.3Confident88.3Confident128 Ų12891 Ų9156%0.55749%0.489SS*.Hα-helixtrans-67.2-41.6175.2-167.9179.4177.8-176.90111.3Y131 G133 S134 R138 F139Y131-K136 WeakPolarHBondContact O-CB 3.32Å; G133-K136 VanDerWaalsContact O-CB 3.31Å; G133-K136 WeakPolarHBondContact O-CB 3.41Å; G133-K136 PolarHBondContact O-N 3.43Å; S134-K136 VanDerWaalsContact C-N 3.32Å; K136-R138 PolarHBondContact O-N 3.26Å; K136-R138 VanDerWaalsContact O-N 3.15Å; K136-F139 PolarHBondContact O-N 3.1Å
137E89.2Confident88.4Confident109 Ų10988.7 Ų88.751%0.50948%0.483SS..Hα-helixtrans-64.3-20.6-179.5-59.6-50.6135.200113.3F139 G150E137-F139 VanDerWaalsContact C-N 3.3Å; E137-F139 PolarHBondContact O-N 3.47Å; E137-G150 CarbonylContact C-O 3.56Å; E137-G150 WeakPolarHBondContact O-CA 3.31Å
138R90.4Very high88.1Confident91 Ų9194.3 Ų94.334%0.34350%0.501SS..THydrogen-bonded Turntrans-74.2-15.6-178.7-70175.7178.7-170.9-2.1114.4H135 K136 G145 K146 G150 R151H135-R138 PolarHBondContact O-N 2.98Å; K136-R138 PolarHBondContact O-N 3.26Å; K136-R138 VanDerWaalsContact O-N 3.15Å; R138-G145 CarbonylContact O-C 3.49Å; R138-G145 VanDerWaalsContact O-CA 3.26Å; R138-G145 WeakPolarHBondContact O-CA 3.39Å; R138-K146 PolarHBondContact O-N 3.1Å; R138-G150 WeakPolarHBondContact CA-O 3.26Å; R138-G150 WeakPolarHBondContact CG-O 3.16Å; R138-R151 HydrophobicContact CG-CG 4.21Å
139F91.3Very high87.9Confident58 Ų5899.8 Ų99.825%0.25452%0.524SS..BIsolated β-bridgetrans-127.5151.6-174-58-92.4000111.4T128 Y131 H135 K136 E137 G143 R144 K146T128-F139 HydrophobicContact CG2-CD1 3.94Å; T128-F139 HydrophobicContact CG2-CE1 4.29Å; T128-F139 HydrophobicContact CG2-CG 4.1Å; Y131-F139 AromaticContact CD2-CD2 3.58Å; Y131-F139 HydrophobicContact CD2-CD2 3.58Å; Y131-F139 AromaticContact CD2-CE2 3.56Å; Y131-F139 HydrophobicContact CD2-CE2 3.56Å; Y131-F139 HydrophobicContact CD2-CG 4.44Å; Y131-F139 HydrophobicContact CD2-CZ 4.4Å; Y131-F139 AromaticContact CE2-CD2 3.8Å; Y131-F139 HydrophobicContact CE2-CD2 3.8Å; Y131-F139 HydrophobicContact CE2-CE1 4.49Å; Y131-F139 AromaticContact CE2-CE2 3.42Å; Y131-F139 HydrophobicContact CE2-CE2 3.42Å; Y131-F139 VanDerWaalsContact CE2-CE2 3.42Å; Y131-F139 HydrophobicContact CE2-CG 4.49Å; Y131-F139 AromaticContact CE2-CZ 3.82Å; Y131-F139 HydrophobicContact CE2-CZ 3.82Å; H135-F139 WeakPolarHBondContact O-CD2 3.49Å; K136-F139 PolarHBondContact O-N 3.1Å; E137-F139 VanDerWaalsContact C-N 3.3Å; E137-F139 PolarHBondContact O-N 3.47Å; F139-G143 WeakPolarHBondContact CD1-O 3.36Å; F139-R144 CarbonylContact C-O 3.51Å; F139-R144 VanDerWaalsContact CA-O 3.3Å; F139-R144 WeakPolarHBondContact CA-O 3.33Å; F139-K146 WeakPolarHBondContact O-CE 3.3Å
140D88.6Confident87.7Confident52 Ų5295.8 Ų95.828%0.27850%0.497SS..  trans-86.5175.616968.423000111.6S142 G143 R144 K146D140-S142 VanDerWaalsContact CG-OG 3.29Å; D140-S142 PolarHBondContact O-N 3.35Å; D140-S142 VanDerWaalsContact O-N 3.17Å; D140-S142 WeakPolarHBondContact OD1-CA 3.47Å; D140-S142 WeakPolarHBondContact OD1-CB 3.14Å; D140-S142 PolarHBondContact OD1-N 2.56Å; D140-S142 PolarHBondContact OD1-OG 3.03Å; D140-S142 PolarHBondContact OD2-OG 3.15Å; D140-G143 WeakPolarHBondContact O-CA 3.17Å; D140-G143 PolarHBondContact O-N 3.47Å; D140-G143 PolarHBondContact OD1-N 3.3Å; D140-G143 VanDerWaalsContact OD1-N 3.1Å; D140-R144 PolarHBondContact N-O 2.9Å; D140-R144 WeakPolarHBondContact OD1-CB 3.33Å; D140-R144 PolarHBondContact OD1-N 3.38Å; D140-R144 WeakPolarHBondContact OD2-CB 3.43Å; D140-K146 HydrophobicContact CB-CG 4.24Å
141D85.9Confident87.5Confident182 Ų18296.8 Ų96.897%0.97350%0.501SS*.THydrogen-bonded Turntrans-65-17.9-178.8-61.8-28.1000113G143D141-G143 VanDerWaalsContact C-N 3.27Å
142S85.3Confident87.1Confident99 Ų9997.9 Ų97.969%0.69251%0.509SS*.THydrogen-bonded Turntrans-84.4-2.917379.40000113.1D140 R144D140-S142 VanDerWaalsContact CG-OG 3.29Å; D140-S142 PolarHBondContact O-N 3.35Å; D140-S142 VanDerWaalsContact O-N 3.17Å; D140-S142 WeakPolarHBondContact OD1-CA 3.47Å; D140-S142 WeakPolarHBondContact OD1-CB 3.14Å; D140-S142 PolarHBondContact OD1-N 2.56Å; D140-S142 PolarHBondContact OD1-OG 3.03Å; D140-S142 PolarHBondContact OD2-OG 3.15Å; S142-R144 VanDerWaalsContact C-N 3.3Å
143G84.4Confident86.5Confident25 Ų2599.3 Ų99.326%0.25851%0.512SS..SBendtrans7811.5-175.500000114.1T128 F139 D140 D141T128-G143 WeakPolarHBondContact OG1-CA 3.06Å; F139-G143 WeakPolarHBondContact CD1-O 3.36Å; D140-G143 WeakPolarHBondContact O-CA 3.17Å; D140-G143 PolarHBondContact O-N 3.47Å; D140-G143 PolarHBondContact OD1-N 3.3Å; D140-G143 VanDerWaalsContact OD1-N 3.1Å; D141-G143 VanDerWaalsContact C-N 3.27Å
144R87.8Confident85.8Confident189 Ų189100.9 Ų100.971%0.71351%0.506SS*.  trans-85.3138.6175.2-176.8178.9-175.8161.90.8109.4F139 D140 S142 K146F139-R144 CarbonylContact C-O 3.51Å; F139-R144 VanDerWaalsContact CA-O 3.3Å; F139-R144 WeakPolarHBondContact CA-O 3.33Å; D140-R144 PolarHBondContact N-O 2.9Å; D140-R144 WeakPolarHBondContact OD1-CB 3.33Å; D140-R144 PolarHBondContact OD1-N 3.38Å; D140-R144 WeakPolarHBondContact OD2-CB 3.43Å; S142-R144 VanDerWaalsContact C-N 3.3Å; R144-K146 PolarHBondContact O-N 3.17Å
145G90.5Very high85.3Confident43 Ų43100.9 Ų100.944%0.44350%0.503SS..BIsolated β-bridgetrans-66.1130.6179.200000112.1R138 G147R138-G145 CarbonylContact O-C 3.49Å; R138-G145 VanDerWaalsContact O-CA 3.26Å; R138-G145 WeakPolarHBondContact O-CA 3.39Å; G145-G147 PolarHBondContact O-N 3.19Å
146K88.5Confident84.5Confident87 Ų87104 Ų10438%0.37852%0.517SS..  trans-72.81175.5-66.7-176.7-177.6163.50113.9R138 F139 D140 R144 R148R138-K146 PolarHBondContact O-N 3.1Å; F139-K146 WeakPolarHBondContact O-CE 3.3Å; D140-K146 HydrophobicContact CB-CG 4.24Å; R144-K146 PolarHBondContact O-N 3.17Å; K146-R148 PolarHBondContact O-N 2.8Å
147G88.3Confident83.8Confident39 Ų39106.5 Ų106.540%0.40253%0.531SS..THydrogen-bonded Turntrans66-126.117800000112.4G145 R151G145-G147 PolarHBondContact O-N 3.19Å; G147-R151 WeakPolarHBondContact O-CG 3.47Å
148R83.6Confident83.2Confident164 Ų164105 Ų10562%0.61953%0.529SS*.THydrogen-bonded Turntrans-68.2-42.5-176.6-172178.8178.9-159.9-7.3112.2K146 G150 R151 E152K146-R148 PolarHBondContact O-N 2.8Å; R148-G150 PolarHBondContact O-N 2.86Å; R148-R151 PolarHBondContact O-N 3.35Å; R148-E152 HydrophobicContact CG-CG 4.41Å; R148-E152 IonicContact CZ-OE2 2.84Å; R148-E152 IonicContact NE-OE1 3.95Å; R148-E152 IonicContact NE-OE2 2.75Å; R148-E152 PolarHBondContact NE-OE2 3.09Å; R148-E152 IonicContact NH2-OE2 3.58Å; R148-E152 PolarHBondContact NH2-OE2 3.23Å; R148-E152 PolarHBondContact O-N 2.59Å
149E84.4Confident82.5Confident144 Ų144104.4 Ų104.467%0.67355%0.551SS**THydrogen-bonded Turntrans-59.8-32.6-178.3-61.2175.916300112.7L154E149-L154 HydrophobicContact CB-CD1 4.32Å; E149-L154 HydrophobicContact CG-CD1 3.82Å
150G85Confident81.8Confident9 Ų9107.3 Ų107.39%0.09356%0.561CS.*THydrogen-bonded Turntrans-87.6-0.6177.400000115E137 R138 R148E137-G150 CarbonylContact C-O 3.56Å; E137-G150 WeakPolarHBondContact O-CA 3.31Å; R138-G150 WeakPolarHBondContact CA-O 3.26Å; R138-G150 WeakPolarHBondContact CG-O 3.16Å; R148-G150 PolarHBondContact O-N 2.86Å
151R84Confident81.3Confident187 Ų187110.4 Ų110.471%0.70658%0.582SS**THydrogen-bonded Turntrans-117.6-29.5-176.7-69.3178.6-174.1-160.12.1113R138 G147 R148R138-R151 HydrophobicContact CG-CG 4.21Å; G147-R151 WeakPolarHBondContact O-CG 3.47Å; R148-R151 PolarHBondContact O-N 3.35Å
152E82.8Confident80.6Confident95 Ų95109.7 Ų109.744%0.44458%0.578SS.*SBendtrans-116.5140-177.8-69.2174-156.100109.4R148 L154R148-E152 HydrophobicContact CG-CG 4.41Å; R148-E152 IonicContact CZ-OE2 2.84Å; R148-E152 IonicContact NE-OE1 3.95Å; R148-E152 IonicContact NE-OE2 2.75Å; R148-E152 PolarHBondContact NE-OE2 3.09Å; R148-E152 IonicContact NH2-OE2 3.58Å; R148-E152 PolarHBondContact NH2-OE2 3.23Å; R148-E152 PolarHBondContact O-N 2.59Å; E152-L154 HydrophobicContact CB-CD2 4.42Å; E152-L154 PolarHBondContact O-N 2.93Å
153D78Confident80.2Confident148 Ų148109.1 Ų109.179%0.79158%0.579SS**  trans-76.7100.1167.5-169.96.8000108V155D153-V155 PolarHBondContact O-N 2.84Å; D153-V155 VanDerWaalsContact O-N 3.09Å
154L72.3Confident79.9Confident91 Ų91113.6 Ų113.648%0.47659%0.589SS.*  trans-7993-179.5-66.3176.7000109E149 E152E149-L154 HydrophobicContact CB-CD1 4.32Å; E149-L154 HydrophobicContact CG-CD1 3.82Å; E152-L154 HydrophobicContact CB-CD2 4.42Å; E152-L154 PolarHBondContact O-N 2.93Å
155V74.9Confident79.5Confident85 Ų85113.8 Ų113.852%0.51560%0.595SS.*  trans-78.1125.4171.3-176.10000109.2D153 H157D153-V155 PolarHBondContact O-N 2.84Å; D153-V155 VanDerWaalsContact O-N 3.09Å; V155-H157 PolarHBondContact O-N 3.39Å
156E71.1Confident78.8Confident158 Ų158115.1 Ų115.174%0.73859%0.592SS**  trans-72.1112.1175.1-62.4-168.8163.800110.5T158E156-T158 HydrophobicContact CB-CG2 4.04Å; E156-T158 PolarHBondContact O-N 2.96Å
157H73.3Confident78.2Confident182 Ų182113.3 Ų113.384%0.84359%0.594SS**  trans-80.651.2176.9-63.7-65.5000112.4V155 G159V155-H157 PolarHBondContact O-N 3.39Å; H157-G159 PolarHBondContact O-N 3.43Å
158T77.7Confident77.6Confident76 Ų76115 Ų11547%0.46661%0.61SS.*SBendtrans-75.1-9.1179.660.80000113E156 Y160E156-T158 HydrophobicContact CB-CG2 4.04Å; E156-T158 PolarHBondContact O-N 2.96Å; T158-Y160 WeakPolarHBondContact O-CD2 3.38Å; T158-Y160 PolarHBondContact O-N 3.33Å; T158-Y160 PolarHBondContact OG1-N 3.26Å
159G75.9Confident77.4Confident79 Ų79109 Ų10981%0.81459%0.592SS**SBendtrans76.3-6.7-173.600000113.6H157H157-G159 PolarHBondContact O-N 3.43Å
160Y75.3Confident76.8Confident120 Ų120110.3 Ų110.347%0.47159%0.592SS.*SBendtrans-85.8143.1173.3-65.4-79000110.6T158 Y164 A167T158-Y160 WeakPolarHBondContact O-CD2 3.38Å; T158-Y160 PolarHBondContact O-N 3.33Å; T158-Y160 PolarHBondContact OG1-N 3.26Å; Y160-Y164 AromaticContact CD1-CD1 3.32Å; Y160-Y164 HydrophobicContact CD1-CD1 3.32Å; Y160-Y164 AromaticContact CD1-CE1 3.56Å; Y160-Y164 HydrophobicContact CD1-CE1 3.56Å; Y160-Y164 HydrophobicContact CD1-CG 4.11Å; Y160-Y164 AromaticContact CE1-CD1 3.88Å; Y160-Y164 HydrophobicContact CE1-CD1 3.88Å; Y160-Y164 AromaticContact CE1-CE1 3.59Å; Y160-Y164 HydrophobicContact CE1-CE1 3.59Å; Y160-Y164 HydrophobicContact CG-CD1 4.04Å; Y160-A167 HydrophobicContact CD2-CB 4.02Å; Y160-A167 HydrophobicContact CE2-CB 4.24Å; Y160-A167 HydrophobicContact CG-CB 4.19Å
161V79.1Confident76.3Confident117 Ų117115.5 Ų115.571%0.70962%0.618SS**  trans-72.3142.1174.4-163.60000108.6A163 Y164V161-A163 PolarHBondContact O-N 2.88Å; V161-Y164 VanDerWaalsContact O-CB 3.29Å; V161-Y164 WeakPolarHBondContact O-CB 3.29Å; V161-Y164 PolarHBondContact O-N 3.3Å
162N70.1Confident75.8Confident166 Ų166109.6 Ų109.689%0.88861%0.605SS**THydrogen-bonded Turntrans-50.4-23.9-176.2-74.5-10000115.8
163A77.3Confident75.2Confident87 Ų87110.5 Ų110.572%0.71961%0.608SS**THydrogen-bonded Turntrans-86.9-7179.300000114.2V161 K165V161-A163 PolarHBondContact O-N 2.88Å; A163-K165 PolarHBondContact O-N 2.86Å
164Y79.1Confident74.9Confident120 Ų120106.3 Ų106.347%0.47159%0.587SS.*  trans-82116.3-175.5-170-102.4000111Y160 V161 D166 A167Y160-Y164 AromaticContact CD1-CD1 3.32Å; Y160-Y164 HydrophobicContact CD1-CD1 3.32Å; Y160-Y164 AromaticContact CD1-CE1 3.56Å; Y160-Y164 HydrophobicContact CD1-CE1 3.56Å; Y160-Y164 HydrophobicContact CD1-CG 4.11Å; Y160-Y164 AromaticContact CE1-CD1 3.88Å; Y160-Y164 HydrophobicContact CE1-CD1 3.88Å; Y160-Y164 AromaticContact CE1-CE1 3.59Å; Y160-Y164 HydrophobicContact CE1-CE1 3.59Å; Y160-Y164 HydrophobicContact CG-CD1 4.04Å; V161-Y164 VanDerWaalsContact O-CB 3.29Å; V161-Y164 WeakPolarHBondContact O-CB 3.29Å; V161-Y164 PolarHBondContact O-N 3.3Å; Y164-D166 VanDerWaalsContact CE1-C 3.41Å; Y164-D166 HydrophobicContact CE1-CB 3.82Å; Y164-D166 HydrophobicContact CE2-CB 4.38Å; Y164-A167 HydrophobicContact CD1-CB 4.29Å
165K77.7Confident74.4Confident193 Ų193109.5 Ų109.584%0.83960%0.597SS**  trans-96.2-9.2-171.6-62.2-178.3-179.5179.30114.4A163A163-K165 PolarHBondContact O-N 2.86Å
166D76.8Confident73.7Confident70 Ų70111.4 Ų111.437%0.37461%0.605SS.*  trans-101.420-173.9-74.2-60.7000112.9Y164 G168 T169 K173Y164-D166 VanDerWaalsContact CE1-C 3.41Å; Y164-D166 HydrophobicContact CE1-CB 3.82Å; Y164-D166 HydrophobicContact CE2-CB 4.38Å; D166-G168 PolarHBondContact O-N 3.03Å; D166-T169 WeakPolarHBondContact CA-OG1 3.38Å; D166-T169 PolarHBondContact O-N 3.36Å; D166-T169 PolarHBondContact O-OG1 2.92Å; D166-T169 PolarHBondContact OD1-OG1 3.04Å; D166-K173 IonicContact OD1-NZ 2.63Å; D166-K173 PolarHBondContact OD1-NZ 3.13Å; D166-K173 IonicContact OD2-NZ 3.33Å
167A75.9Confident73.1Confident50 Ų50107.6 Ų107.641%0.41360%0.6SS.*THydrogen-bonded Turntrans-63.9125.4175.400000109.9Y160 Y164 T169Y160-A167 HydrophobicContact CD2-CB 4.02Å; Y160-A167 HydrophobicContact CE2-CB 4.24Å; Y160-A167 HydrophobicContact CG-CB 4.19Å; Y164-A167 HydrophobicContact CD1-CB 4.29Å; A167-T169 VanDerWaalsContact C-N 3.32Å; A167-T169 PolarHBondContact O-N 3.37Å
168G75.1Confident72.3Confident73 Ų73105.9 Ų105.975%0.75360%0.597SS**THydrogen-bonded Turntrans77.25.617900000116D166D166-G168 PolarHBondContact O-N 3.03Å
169T78.9Confident70.9Confident39 Ų39113.9 Ų113.924%0.23963%0.625CS.*  trans-967.4-179.5660000114.4D166 A167 S172 K173D166-T169 WeakPolarHBondContact CA-OG1 3.38Å; D166-T169 PolarHBondContact O-N 3.36Å; D166-T169 PolarHBondContact O-OG1 2.92Å; D166-T169 PolarHBondContact OD1-OG1 3.04Å; A167-T169 VanDerWaalsContact C-N 3.32Å; A167-T169 PolarHBondContact O-N 3.37Å; T169-S172 PolarHBondContact O-OG 3.41Å; T169-K173 WeakPolarHBondContact O-CG 3.47Å; T169-K173 PolarHBondContact O-N 3.23Å
170Y72.4Confident70.7Confident172 Ų172115.6 Ų115.668%0.67562%0.616SS**Hα-helixtrans-65.4-51-178.4-174.3-97000112S172 K173 V174Y170-S172 VanDerWaalsContact C-N 3.25Å; Y170-S172 PolarHBondContact O-N 3.24Å; Y170-K173 PolarHBondContact O-N 2.75Å; Y170-K173 VanDerWaalsContact O-N 3.13Å; Y170-V174 HydrophobicContact CD1-CG2 4.01Å; Y170-V174 HydrophobicContact CE1-CG2 3.63Å; Y170-V174 HydrophobicContact CE2-CG2 4.17Å; Y170-V174 HydrophobicContact CG-CG2 4.43Å; Y170-V174 WeakPolarHBondContact O-CG2 3.36Å; Y170-V174 PolarHBondContact O-N 3.39Å
171D74.1Confident70.5Confident118 Ų118115.4 Ų115.463%0.63162%0.623SS**Hα-helixtrans-64.4-28.4-176.7-73-33.1000113.5K175D171-K175 WeakPolarHBondContact O-CG 3.38Å; D171-K175 PolarHBondContact O-N 3.47Å
172S73.8Confident70Confident63 Ų63115.3 Ų115.344%0.44162%0.619SS.*Hα-helixtrans-73.9-42.417443.60000111.8T169 Y170 V174 K175 D176T169-S172 PolarHBondContact O-OG 3.41Å; Y170-S172 VanDerWaalsContact C-N 3.25Å; Y170-S172 PolarHBondContact O-N 3.24Å; S172-V174 VanDerWaalsContact C-N 3.34Å; S172-V174 PolarHBondContact O-N 3.45Å; S172-K175 PolarHBondContact O-N 3.35Å; S172-D176 PolarHBondContact O-N 3.44Å
173K70.2Confident70Confident114 Ų114112.3 Ų112.350%0.49660%0.603SS.*Hα-helixtrans-65.4-34.7177.7-72.4178.1-175.5175.30113.1D166 T169 Y170D166-K173 IonicContact OD1-NZ 2.63Å; D166-K173 PolarHBondContact OD1-NZ 3.13Å; D166-K173 IonicContact OD2-NZ 3.33Å; T169-K173 WeakPolarHBondContact O-CG 3.47Å; T169-K173 PolarHBondContact O-N 3.23Å; Y170-K173 PolarHBondContact O-N 2.75Å; Y170-K173 VanDerWaalsContact O-N 3.13Å
174V71.2Confident69.5Low59 Ų59113.9 Ų113.936%0.35860%0.596SS.*Hα-helixtrans-73.5-37.9179.4178.80000111.6Y170 S172 D176 A177Y170-V174 HydrophobicContact CD1-CG2 4.01Å; Y170-V174 HydrophobicContact CE1-CG2 3.63Å; Y170-V174 HydrophobicContact CE2-CG2 4.17Å; Y170-V174 HydrophobicContact CG-CG2 4.43Å; Y170-V174 WeakPolarHBondContact O-CG2 3.36Å; Y170-V174 PolarHBondContact O-N 3.39Å; S172-V174 VanDerWaalsContact C-N 3.34Å; S172-V174 PolarHBondContact O-N 3.45Å; V174-D176 VanDerWaalsContact C-N 3.34Å; V174-D176 PolarHBondContact O-N 3.44Å; V174-A177 PolarHBondContact O-N 3.19Å
175K63Low68.9Low158 Ų158113.5 Ų113.569%0.68760%0.604SS**Hα-helixtrans-68.4-29.6178.7-76.4177.8-178.6174.50114.1D171 S172 A177D171-K175 WeakPolarHBondContact O-CG 3.38Å; D171-K175 PolarHBondContact O-N 3.47Å; S172-K175 PolarHBondContact O-N 3.35Å; K175-A177 VanDerWaalsContact C-N 3.28Å
176D59.4Low68.2Low126 Ų126107.8 Ų107.867%0.67459%0.587SS**THydrogen-bonded Turntrans-78.3-12.7175.3-73.1-31.8000112.9S172 V174S172-D176 PolarHBondContact O-N 3.44Å; V174-D176 VanDerWaalsContact C-N 3.34Å; V174-D176 PolarHBondContact O-N 3.44Å
177A59.2Low67.6Low78 Ų78110.7 Ų110.765%0.64560%0.604SS**THydrogen-bonded Turntrans-87.5-14177.100000114V174 K175V174-A177 PolarHBondContact O-N 3.19Å; K175-A177 VanDerWaalsContact C-N 3.28Å
178D57Low66.9Low145 Ų145115.8 Ų115.878%0.77562%0.619SS**  trans-99.714.9-179.9-85.1-35.1000113.6
179K48.4Very low66.1Low244 Ų244119.6 Ų119.6100%1.06161%0.607SS**  trans-110.20169.8-95.6-175.5178.2175.50111.1

Retrieved 179 of 179 residues in 350 ms (Link to these results)

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