G4VBF9_SCHMA Loading...

Cilia-and flagella-associated protein 96

AlphaFold DB , UniProt , Accession G4VBF9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 310 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
1M38.5Very low61.2Low244 Ų244130.5 Ų130.5100%1.20274%0.737SS**  073.70-77-102.6-153.100108.7
2T47.1Very low61.7Low145 Ų145132.6 Ų132.689%0.8974%0.744SS**  trans-160.867.5174.739.40000106.4
3G55.9Low62.5Low74 Ų74128 Ų12876%0.76374%0.744SS**  trans-94.4104.9178.500000109.8T5G3-T5 PolarHBondContact O-N 3.01Å
4S57.4Low63.2Low102 Ų102131.9 Ų131.971%0.71374%0.742SS**  trans-61.8123.3175.548.40000110.9K6S4-K6 PolarHBondContact O-N 2.93Å
5T59Low63.9Low135 Ų135137.3 Ų137.383%0.82876%0.755SS**  trans-72.885.7176.543.10000110.3G3G3-T5 PolarHBondContact O-N 3.01Å
6K67.9Low64.8Low137 Ų137142.3 Ų142.360%0.59676%0.759SS**  trans-68.8143.5165.4-69.7-175.8-179.3179.90110.3S4 R11S4-K6 PolarHBondContact O-N 2.93Å; K6-R11 PolarHBondContact O-NH2 3.02Å
7P72.5Confident65.4Low84 Ų84142.8 Ų142.855%0.54576%0.756SS.*  trans-61149179.226.2-33.9000111.6L9 D10P7-L9 PolarHBondContact O-N 3.25Å; P7-L9 VanDerWaalsContact O-N 3.13Å; P7-D10 PolarHBondContact O-N 3.04Å
8D66.1Low66.3Low120 Ų120144.1 Ų144.164%0.64276%0.76SS**G310 helixtrans-63-21.1-171.9-129.415.5000113.8D10 R11D8-D10 PolarHBondContact O-N 2.92Å; D8-R11 PolarHBondContact O-N 3.26Å; D8-R11 WeakPolarHBondContact OD1-CD 3.41Å; D8-R11 IonicContact OD1-NE 3.69Å
9L72.2Confident67.2Low167 Ų167141.9 Ų141.987%0.87476%0.757SS**G310 helixtrans-66.9-19.6-178.6-65.3171.7000114P7P7-L9 PolarHBondContact O-N 3.25Å; P7-L9 VanDerWaalsContact O-N 3.13Å
10D70.8Confident68Low126 Ų126143.5 Ų143.567%0.67475%0.753SS**G310 helixtrans-94.2-0.4178.3-72.6-17.3000113.1P7 D8P7-D10 PolarHBondContact O-N 3.04Å; D8-D10 PolarHBondContact O-N 2.92Å
11R66.1Low68.8Low101 Ų101144.1 Ų144.138%0.38176%0.756SS.*SBendtrans-93.9125.7-176.1-60.7-176.3-163.2-1345.3110.8K6 D8 G13 E17K6-R11 PolarHBondContact O-NH2 3.02Å; D8-R11 PolarHBondContact O-N 3.26Å; D8-R11 WeakPolarHBondContact OD1-CD 3.41Å; D8-R11 IonicContact OD1-NE 3.69Å; R11-G13 PolarHBondContact O-N 3.19Å; R11-E17 IonicContact NH1-OE1 3.9Å
12L67.3Low71Confident156 Ų156137 Ų13782%0.81773%0.726SS**  trans-62.890.5173.5-78.6161.3000110.3Y14L12-Y14 WeakPolarHBondContact O-CD2 3.24Å; L12-Y14 WeakPolarHBondContact O-CE2 2.99Å; L12-Y14 PolarHBondContact O-N 2.94Å
13G71.7Confident72.6Confident73 Ų73136.1 Ų136.175%0.75372%0.715SS**SBendtrans576.7156.600000119.5R11R11-G13 PolarHBondContact O-N 3.19Å
14Y72.8Confident73.9Confident182 Ų182136.1 Ų136.171%0.71472%0.715SS**  trans-110.1119.7-178.7-60.5-63.1000111L12 R16L12-Y14 WeakPolarHBondContact O-CD2 3.24Å; L12-Y14 WeakPolarHBondContact O-CE2 2.99Å; L12-Y14 PolarHBondContact O-N 2.94Å; Y14-R16 PolarHBondContact O-N 3.21Å
15F73Confident75.2Confident214 Ų214136.9 Ų136.994%0.93971%0.711SS**SBendtrans-65.5-21.5179.8-66.1-80000114.1
16R77.9Confident76.5Confident217 Ų217135.5 Ų135.582%0.81970%0.704SS**SBendtrans-158.6129.8176-176.8175.5176.4180-0.5108.7Y14 M18Y14-R16 PolarHBondContact O-N 3.21Å; R16-M18 PolarHBondContact O-N 3.08Å
17E76.2Confident77.2Confident150 Ų150137.9 Ų137.970%0.70171%0.711SS**PPolyproline II helixtrans-65.7119169.4-71.3174.3-167.500109.1R11R11-E17 IonicContact NH1-OE1 3.9Å
18M81.7Confident77.6Confident167 Ų167139.9 Ų139.982%0.82372%0.715SS**PPolyproline II helixtrans-73.9132.4170.4-77.3-174.248.400109.4R16 Y20R16-M18 PolarHBondContact O-N 3.08Å; M18-Y20 PolarHBondContact O-N 2.84Å
19S82.8Confident78.5Confident102 Ų102137.2 Ų137.271%0.71370%0.701SS**PPolyproline II helixtrans-65132.416753.50000109.2I21S19-I21 PolarHBondContact O-N 2.99Å
20Y84.1Confident78.9Confident174 Ų174136.3 Ų136.368%0.68270%0.696SS**PPolyproline II helixtrans-67.7131168.9-60.3-92.4000108.9M18 T22 I23M18-Y20 PolarHBondContact O-N 2.84Å; Y20-T22 PolarHBondContact O-N 2.91Å; Y20-I23 HydrophobicContact CD2-CD1 3.59Å; Y20-I23 HydrophobicContact CD2-CG1 4.43Å; Y20-I23 HydrophobicContact CG-CD1 4.1Å; Y20-I23 PolarHBondContact O-N 2.85Å
21I83.7Confident79.4Confident156 Ų156133.7 Ų133.780%0.870%0.699SS**THydrogen-bonded Turntrans-60.8-21.7175.348163.7000113S19S19-I21 PolarHBondContact O-N 2.99Å
22T84.4Confident80Confident94 Ų94136.6 Ų136.658%0.57772%0.715SS**THydrogen-bonded Turntrans-90.7-1.8-177.652.40000113.9Y20 G24 D25Y20-T22 PolarHBondContact O-N 2.91Å; T22-G24 PolarHBondContact O-N 3.03Å; T22-G24 VanDerWaalsContact O-N 3.16Å; T22-D25 PolarHBondContact O-N 3.05Å
23I80.9Confident80.6Confident128 Ų128135.4 Ų135.466%0.65670%0.703SS**THydrogen-bonded Turntrans-74.9108.6177.1-71.9164.2000109Y20Y20-I23 HydrophobicContact CD2-CD1 3.59Å; Y20-I23 HydrophobicContact CD2-CG1 4.43Å; Y20-I23 HydrophobicContact CG-CD1 4.1Å; Y20-I23 PolarHBondContact O-N 2.85Å
24G83.3Confident80.9Confident74 Ų74135.7 Ų135.776%0.76369%0.69SS**THydrogen-bonded Turntrans107.1-15179.100000113.9T22T22-G24 PolarHBondContact O-N 3.03Å; T22-G24 VanDerWaalsContact O-N 3.16Å
25D85.1Confident81.3Confident117 Ų117134.8 Ų134.863%0.62669%0.69SS**PPolyproline II helixtrans-76.6122.9174.5-77.1-11.2000109.8T22 Y27T22-D25 PolarHBondContact O-N 3.05Å; D25-Y27 PolarHBondContact O-N 3.24Å
26P85.4Confident81.9Confident107 Ų107128.7 Ų128.770%0.69567%0.667SS**PPolyproline II helixtrans-64.3129.2175.226.3-32.3000109.6I28P26-I28 PolarHBondContact O-N 3.23Å; P26-I28 VanDerWaalsContact O-N 3.15Å
27Y83.4Confident82.1Confident186 Ų186122.9 Ų122.973%0.72965%0.65SS**PPolyproline II helixtrans-60.8117.6172.9174.6-101000110.1D25 D29D25-Y27 PolarHBondContact O-N 3.24Å; Y27-D29 HydrophobicContact CD1-CB 4.46Å; Y27-D29 HydrophobicContact CE1-CB 3.9Å
28I80.8Confident82.6Confident126 Ų126121.8 Ų121.865%0.64665%0.649SS**  trans-88.8110.1171.1-54.6173.9000107.1P26 L30P26-I28 PolarHBondContact O-N 3.23Å; P26-I28 VanDerWaalsContact O-N 3.15Å; I28-L30 PolarHBondContact O-N 3.26Å
29D84Confident82.7Confident64 Ų64116.5 Ų116.534%0.34263%0.628SS.*  trans-61.6116.8175.5-175.22000109.9Y27 G31 K32 F33Y27-D29 HydrophobicContact CD1-CB 4.46Å; Y27-D29 HydrophobicContact CE1-CB 3.9Å; D29-G31 PolarHBondContact O-N 2.94Å; D29-G31 VanDerWaalsContact O-N 3.12Å; D29-G31 PolarHBondContact OD1-N 3.22Å; D29-K32 HydrophobicContact CB-CB 4.18Å; D29-K32 HydrophobicContact CB-CD 4.11Å; D29-K32 HydrophobicContact CB-CG 4.01Å; D29-K32 WeakPolarHBondContact O-CA 3.42Å; D29-K32 PolarHBondContact O-N 3.45Å; D29-F33 PolarHBondContact O-N 2.87Å
30L81Confident82.5Confident148 Ų148116.2 Ų116.278%0.77563%0.625SS**THydrogen-bonded Turntrans-57.1-26.4177.3-71.1165.4000111.7I28 K32I28-L30 PolarHBondContact O-N 3.26Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 2.86Å
31G81.6Confident82.5Confident71 Ų71114.6 Ų114.673%0.73262%0.621SS**THydrogen-bonded Turntrans-72.5-19.5173.700000114.3D29D29-G31 PolarHBondContact O-N 2.94Å; D29-G31 VanDerWaalsContact O-N 3.12Å; D29-G31 PolarHBondContact OD1-N 3.22Å
32K79.7Confident82.7Confident162 Ų162109.9 Ų109.970%0.70461%0.611SS**THydrogen-bonded Turntrans-100.3-5.4177.1-64.2-176.4-174.8178.40113.3D29 L30 V34D29-K32 HydrophobicContact CB-CB 4.18Å; D29-K32 HydrophobicContact CB-CD 4.11Å; D29-K32 HydrophobicContact CB-CG 4.01Å; D29-K32 WeakPolarHBondContact O-CA 3.42Å; D29-K32 PolarHBondContact O-N 3.45Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 2.86Å; K32-V34 PolarHBondContact O-N 3.11Å
33F79.7Confident82.9Confident132 Ų132114.5 Ų114.558%0.57962%0.623SS**  trans-70.8101.9175.4-179.2-101.7000109.7D29 F35D29-F33 PolarHBondContact O-N 2.87Å; F33-F35 HydrophobicContact CD1-CB 4.49Å; F33-F35 HydrophobicContact CE1-CB 3.83Å; F33-F35 HydrophobicContact CE1-CD2 4.44Å; F33-F35 HydrophobicContact CZ-CB 4.42Å; F33-F35 HydrophobicContact CZ-CD2 4.41Å
34V77.6Confident83.3Confident79 Ų79114.2 Ų114.248%0.47962%0.619SS.*  trans-95.8101.9173.8-168.40000108.7K32 N36 E37K32-V34 PolarHBondContact O-N 3.11Å; V34-N36 PolarHBondContact O-N 3.03Å; V34-E37 HydrophobicContact CB-CG 3.63Å; V34-E37 HydrophobicContact CG1-CB 4.43Å; V34-E37 HydrophobicContact CG1-CG 3.45Å; V34-E37 VanDerWaalsContact CG1-CG 3.45Å
35F81Confident83.6Confident163 Ų163119 Ų11972%0.71563%0.626SS**THydrogen-bonded Turntrans-70.6127.4171.1-179.5-104.8000109.8F33F33-F35 HydrophobicContact CD1-CB 4.49Å; F33-F35 HydrophobicContact CE1-CB 3.83Å; F33-F35 HydrophobicContact CE1-CD2 4.44Å; F33-F35 HydrophobicContact CZ-CB 4.42Å; F33-F35 HydrophobicContact CZ-CD2 4.41Å
36N84.9Confident83.8Confident85 Ų85123.1 Ų123.146%0.45564%0.635SS.*THydrogen-bonded Turntrans57.156173.8-164.55.4000113.8V34 D38 S39V34-N36 PolarHBondContact O-N 3.03Å; N36-D38 PolarHBondContact O-N 3.07Å; N36-D38 VanDerWaalsContact O-N 3.08Å; N36-S39 WeakPolarHBondContact ND2-CB 3.37Å; N36-S39 WeakPolarHBondContact O-CB 3.42Å; N36-S39 PolarHBondContact O-N 3.19Å; N36-S39 PolarHBondContact O-OG 2.92Å; N36-S39 PolarHBondContact OD1-N 2.75Å
37E83.7Confident83.9Confident96 Ų96121.5 Ų121.545%0.44964%0.637SS.*Hα-helixtrans-49.3-35.2177.7-80.1-165.9-167.100113.9V34 S39 C40 K41V34-E37 HydrophobicContact CB-CG 3.63Å; V34-E37 HydrophobicContact CG1-CB 4.43Å; V34-E37 HydrophobicContact CG1-CG 3.45Å; V34-E37 VanDerWaalsContact CG1-CG 3.45Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.01Å; E37-C40 PolarHBondContact O-N 3.08Å; E37-K41 PolarHBondContact O-N 2.99Å; E37-K41 IonicContact OE2-NZ 2.76Å; E37-K41 PolarHBondContact OE2-NZ 3.06Å
38D85.6Confident83.9Confident127 Ų127121 Ų12168%0.67965%0.645SS**Hα-helixtrans-66.1-29.7-178.4-64.2-24.6000112N36 C40 K41N36-D38 PolarHBondContact O-N 3.07Å; N36-D38 VanDerWaalsContact O-N 3.08Å; D38-C40 VanDerWaalsContact C-N 3.26Å; D38-C40 PolarHBondContact O-N 3.46Å; D38-K41 CarbonylContact O-C 3.6Å; D38-K41 PolarHBondContact O-N 3.49Å; D38-K41 VanDerWaalsContact O-N 3.14Å
39S84.3Confident83.9Confident56 Ų56120 Ų12039%0.39265%0.65SS.*Hα-helixtrans-66.8-27.5176.1690000113.4N36 E37 Q44N36-S39 WeakPolarHBondContact ND2-CB 3.37Å; N36-S39 WeakPolarHBondContact O-CB 3.42Å; N36-S39 PolarHBondContact O-N 3.19Å; N36-S39 PolarHBondContact O-OG 2.92Å; N36-S39 PolarHBondContact OD1-N 2.75Å; E37-S39 VanDerWaalsContact C-N 3.26Å; E37-S39 PolarHBondContact O-N 3.01Å; S39-Q44 PolarHBondContact O-NE2 2.91Å
40C79.1Confident83.8Confident96 Ų96122.9 Ų122.965%0.64967%0.67SS**Hα-helixtrans-81.3-20.3175.5-66.60000112.2E37 D38E37-C40 PolarHBondContact O-N 3.08Å; D38-C40 VanDerWaalsContact C-N 3.26Å; D38-C40 PolarHBondContact O-N 3.46Å
41K84.2Confident83.7Confident139 Ų139121.8 Ų121.860%0.60466%0.659SS**SBendtrans-103.891.5-175-64.7173.8-167.6163.30110E37 D38E37-K41 PolarHBondContact O-N 2.99Å; E37-K41 IonicContact OE2-NZ 2.76Å; E37-K41 PolarHBondContact OE2-NZ 3.06Å; D38-K41 CarbonylContact O-C 3.6Å; D38-K41 PolarHBondContact O-N 3.49Å; D38-K41 VanDerWaalsContact O-N 3.14Å
42G87.2Confident83.4Confident57 Ų57123.6 Ų123.659%0.58866%0.66SS**SBendtrans160.7179.2174.600000114.6Q44G42-Q44 PolarHBondContact O-N 3.5Å
43K89.2Confident83.2Confident192 Ų192125.4 Ų125.484%0.83567%0.668SS**PPolyproline II helixtrans-71120169.3-73-175.8179.91790108.7
44Q88.3Confident83Confident122 Ų122121.8 Ų121.857%0.5766%0.659SS**PPolyproline II helixtrans-75.5158.9173.3-61.4-59.8-30.200110.8S39 G42 Y46S39-Q44 PolarHBondContact O-NE2 2.91Å; G42-Q44 PolarHBondContact O-N 3.5Å; Q44-Y46 PolarHBondContact O-N 2.89Å
45L90.6Very high82.8Confident174 Ų174122.2 Ų122.291%0.91168%0.679SS**PPolyproline II helixtrans-60.4127.5170-66.4174.7000109.2G47L45-G47 PolarHBondContact O-N 2.95Å
46Y88.3Confident82.8Confident204 Ų204119.9 Ų119.980%0.867%0.673SS**PPolyproline II helixtrans-67.9124.6173.1-67.2-76.3000109.3Q44Q44-Y46 PolarHBondContact O-N 2.89Å
47G86.7Confident82.7Confident73 Ų73119.9 Ų119.975%0.75367%0.673SS**PPolyproline II helixtrans-64.2147171.700000111.3L45 S49L45-G47 PolarHBondContact O-N 2.95Å; G47-S49 PolarHBondContact O-N 3.29Å
48I83.8Confident82.5Confident175 Ų175120 Ų12090%0.89768%0.677SS**PPolyproline II helixtrans-77117171.8-60.3166.9000107.4
49S81Confident82.2Confident106 Ų106116.2 Ų116.274%0.74167%0.668SS**PPolyproline II helixtrans-103.7133.2172.5-178.90000110.1G47G47-S49 PolarHBondContact O-N 3.29Å
50T81.4Confident82.1Confident124 Ų124121.1 Ų121.176%0.76168%0.679SS**PPolyproline II helixtrans-78.9121.6176.555.40000110.4S52T50-S52 PolarHBondContact O-N 2.87Å
51K79.7Confident82.5Confident125 Ų125127.1 Ų127.154%0.54370%0.695SS.*  trans-80.697.2172.4-61.2-175.2-173-175.50109.7C54 D58K51-C54 HydrophobicContact CB-CB 4.44Å; K51-D58 HydrophobicContact CD-CB 4.11Å; K51-D58 IonicContact NZ-OD2 2.76Å; K51-D58 PolarHBondContact NZ-OD2 3.15Å
52S74.9Confident82.5Confident109 Ų109125.3 Ų125.376%0.76270%0.695SS**SBendtrans-77.8-21.3-179.761.30000114.3T50T50-S52 PolarHBondContact O-N 2.87Å
53K75.5Confident82.4Confident200 Ų200127.2 Ų127.287%0.8770%0.697SS**SBendtrans-13483.7-177-64.4-179.8-176.7177.30110
54C75Confident82Confident56 Ų56125.4 Ų125.438%0.37869%0.686SS.*  trans-135.8135.4171.6-162.10000109.6K51 L56K51-C54 HydrophobicContact CB-CB 4.44Å; C54-L56 VanDerWaalsContact C-N 3.25Å
55G74.5Confident81.6Confident88 Ų88125.8 Ų125.891%0.90769%0.692SS**SBendtrans-84.2-1.2172.500000113.4
56L81.1Confident81.1Confident113 Ų113125 Ų12559%0.59268%0.678SS**SBendtrans-97.5162.4176.6-56.9172.5000110C54 D58C54-L56 VanDerWaalsContact C-N 3.25Å; L56-D58 PolarHBondContact O-N 3.23Å
57N81.6Confident80.8Confident85 Ų85122.1 Ų122.146%0.45568%0.675SS.*G310 helixtrans-74.40.5-177.8-72-21.1000114.4G59 Y60N57-G59 PolarHBondContact O-N 3.01Å; N57-Y60 PolarHBondContact O-N 3.49Å; N57-Y60 VanDerWaalsContact O-N 3.09Å
58D81Confident80.4Confident98 Ų98124.7 Ų124.752%0.52467%0.666SS.*G310 helixtrans-55-22-176.4-65.710.7000115.5K51 L56K51-D58 HydrophobicContact CD-CB 4.11Å; K51-D58 IonicContact NZ-OD2 2.76Å; K51-D58 PolarHBondContact NZ-OD2 3.15Å; L56-D58 PolarHBondContact O-N 3.23Å
59G79.8Confident80.1Confident49 Ų49122.6 Ų122.651%0.50566%0.655SS.*G310 helixtrans-89.6-7-178.600000114.9N57N57-G59 PolarHBondContact O-N 3.01Å
60Y81.9Confident80.1Confident159 Ų159121.6 Ų121.662%0.62466%0.661SS**SBendtrans-101.3142.9-178.3-59.4-80000110.6N57 T62N57-Y60 PolarHBondContact O-N 3.49Å; N57-Y60 VanDerWaalsContact O-N 3.09Å; Y60-T62 WeakPolarHBondContact CB-O 3.4Å; Y60-T62 PolarHBondContact O-N 2.78Å
61F85.9Confident80.2Confident221 Ų221121.9 Ų121.997%0.96965%0.654SS**SBendtrans-67.1-17.2176.1-66.6-74.2000113.4
62T86.3Confident80.2Confident101 Ų101120.7 Ų120.762%0.6266%0.661SS**SBendtrans-137.6146.5-178.755.20000110.3Y60 Y64Y60-T62 WeakPolarHBondContact CB-O 3.4Å; Y60-T62 PolarHBondContact O-N 2.78Å; T62-Y64 PolarHBondContact O-N 3.03Å
63P83.8Confident80.6Confident97 Ų97125.2 Ų125.263%0.6366%0.663SS**  trans-57.8137.8173.325.8-33.6000109.9N65P63-N65 PolarHBondContact O-N 3.19Å; P63-N65 VanDerWaalsContact O-N 3.08Å
64Y80.2Confident81Confident154 Ų154119.9 Ų119.960%0.60465%0.647SS**  trans-67.6110177.7177.7-101000110.1T62 R66T62-Y64 PolarHBondContact O-N 3.03Å; Y64-R66 HydrophobicContact CD1-CB 4.35Å; Y64-R66 HydrophobicContact CE1-CB 3.77Å; Y64-R66 PolarHBondContact O-N 3.22Å
65N80.1Confident81.7Confident130 Ų130120 Ų12070%0.69564%0.644SS**  trans-86.1104.8172.1-68.2-21.2000108.7P63 L67P63-N65 PolarHBondContact O-N 3.19Å; P63-N65 VanDerWaalsContact O-N 3.08Å; N65-L67 PolarHBondContact O-N 3Å
66R80.9Confident82.5Confident159 Ų159121 Ų12160%0.663%0.627SS**  trans-67.7118172.6173-179.8-172.8164.22.6108.5Y64 F68 I69Y64-R66 HydrophobicContact CD1-CB 4.35Å; Y64-R66 HydrophobicContact CE1-CB 3.77Å; Y64-R66 PolarHBondContact O-N 3.22Å; R66-F68 PolarHBondContact O-N 3.47Å; R66-F68 VanDerWaalsContact O-N 3.1Å; R66-I69 HydrophobicContact CB-CD1 3.7Å; R66-I69 HydrophobicContact CB-CG1 3.7Å; R66-I69 HydrophobicContact CG-CD1 4.5Å; R66-I69 HydrophobicContact CG-CG1 3.96Å; R66-I69 WeakPolarHBondContact O-CG1 3.45Å; R66-I69 PolarHBondContact O-N 2.91Å
67L81.1Confident83.1Confident142 Ų142120.3 Ų120.374%0.74363%0.627SS**THydrogen-bonded Turntrans-54.2-33.1-176.7-65.9170.4000113.4N65N65-L67 PolarHBondContact O-N 3Å
68F79.5Confident83.6Confident128 Ų128122.3 Ų122.356%0.56163%0.632SS**THydrogen-bonded Turntrans-98.618.8-173.4-54-68.6000114.1R66 G70 E71R66-F68 PolarHBondContact O-N 3.47Å; R66-F68 VanDerWaalsContact O-N 3.1Å; F68-G70 PolarHBondContact O-N 2.92Å; F68-E71 VanDerWaalsContact CD1-OE2 3.26Å; F68-E71 WeakPolarHBondContact CD1-OE2 3.4Å; F68-E71 PolarHBondContact O-N 2.79Å
69I77.3Confident84.2Confident131 Ų131120.6 Ų120.667%0.67262%0.622SS**THydrogen-bonded Turntrans-70.1119173.7-66.9167.6000108.3R66 E71R66-I69 HydrophobicContact CB-CD1 3.7Å; R66-I69 HydrophobicContact CB-CG1 3.7Å; R66-I69 HydrophobicContact CG-CD1 4.5Å; R66-I69 HydrophobicContact CG-CG1 3.96Å; R66-I69 WeakPolarHBondContact O-CG1 3.45Å; R66-I69 PolarHBondContact O-N 2.91Å; I69-E71 VanDerWaalsContact C-N 3.35Å
70G80.9Confident85Confident84 Ų84124.3 Ų124.387%0.86662%0.624SS**THydrogen-bonded Turntrans91.6-9.3-178.500000114.3F68F68-G70 PolarHBondContact O-N 2.92Å
71E83.3Confident85.6Confident130 Ų130121.4 Ų121.461%0.60762%0.616SS**  trans-88.8123.8172.3-62.3-169.917500109.9F68 I69F68-E71 VanDerWaalsContact CD1-OE2 3.26Å; F68-E71 WeakPolarHBondContact CD1-OE2 3.4Å; F68-E71 PolarHBondContact O-N 2.79Å; I69-E71 VanDerWaalsContact C-N 3.35Å
72S79.4Confident86.1Confident100 Ų100115 Ų11570%0.69959%0.589SS**  trans-80.1144169.963.90000109.7T74S72-T74 PolarHBondContact O-N 2.95Å; S72-T74 VanDerWaalsContact O-N 3.11Å
73Y84.1Confident86.6Confident205 Ų205115.1 Ų115.180%0.80458%0.583SS**  trans-63.8114.1173.9173-101.8000109.9D75Y73-D75 HydrophobicContact CE1-CB 3.96Å
74T83.8Confident87.1Confident88 Ų88118.6 Ų118.654%0.5458%0.583SS.*  trans-97.6112.3175.853.80000110.8S72 M76S72-T74 PolarHBondContact O-N 2.95Å; S72-T74 VanDerWaalsContact O-N 3.11Å; T74-M76 PolarHBondContact O-N 2.79Å
75D88.9Confident87.7Confident58 Ų58115.1 Ų115.131%0.3158%0.575SS.*  trans-79.8104.1173.8-171.7-14.3000110.9Y73 T77 K78 I79Y73-D75 HydrophobicContact CE1-CB 3.96Å; D75-T77 VanDerWaalsContact CG-OG1 3.23Å; D75-T77 PolarHBondContact O-N 3.18Å; D75-T77 WeakPolarHBondContact OD1-CB 3.41Å; D75-T77 PolarHBondContact OD1-N 2.69Å; D75-T77 PolarHBondContact OD1-OG1 2.6Å; D75-T77 PolarHBondContact OD2-OG1 3.01Å; D75-K78 HydrophobicContact CB-CB 4.01Å; D75-K78 WeakPolarHBondContact O-CB 3.3Å; D75-K78 PolarHBondContact O-N 3.46Å; D75-K78 VanDerWaalsContact O-N 3.1Å; D75-I79 PolarHBondContact O-N 3.38Å; D75-I79 VanDerWaalsContact O-N 3.1Å
76M91.7Very high88.4Confident109 Ų109115 Ų11554%0.53757%0.568SS.*Hα-helixtrans-59.7-26.6178.7-64.8-58.9-63.400113T74 I79 K80T74-M76 PolarHBondContact O-N 2.79Å; M76-I79 HydrophobicContact SD-CD1 4.17Å; M76-K80 WeakPolarHBondContact O-CB 2.77Å; M76-K80 VanDerWaalsContact O-CG 3.28Å; M76-K80 WeakPolarHBondContact O-CG 3.43Å; M76-K80 PolarHBondContact O-N 3.5Å
77T93Very high88.9Confident98 Ų98113.2 Ų113.260%0.60157%0.567SS**Hα-helixtrans-70.8-39.3177.769.30000111D75 H81D75-T77 VanDerWaalsContact CG-OG1 3.23Å; D75-T77 PolarHBondContact O-N 3.18Å; D75-T77 WeakPolarHBondContact OD1-CB 3.41Å; D75-T77 PolarHBondContact OD1-N 2.69Å; D75-T77 PolarHBondContact OD1-OG1 2.6Å; D75-T77 PolarHBondContact OD2-OG1 3.01Å; T77-H81 WeakPolarHBondContact O-CB 3.3Å; T77-H81 PolarHBondContact O-N 2.89Å
78K93.3Very high89.2Confident127 Ų127113.7 Ų113.755%0.55256%0.562SS**Hα-helixtrans-65.1-46.3174.8-170.1-178.5176.9-173.60111.2D75 K80 H81 E82D75-K78 HydrophobicContact CB-CB 4.01Å; D75-K78 WeakPolarHBondContact O-CB 3.3Å; D75-K78 PolarHBondContact O-N 3.46Å; D75-K78 VanDerWaalsContact O-N 3.1Å; K78-K80 PolarHBondContact O-N 3.36Å; K78-H81 WeakPolarHBondContact O-CB 3.49Å; K78-H81 PolarHBondContact O-N 2.82Å; K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 WeakPolarHBondContact O-CG 3.3Å; K78-E82 PolarHBondContact O-N 3.02Å
79I93.8Very high89.6Confident62 Ų62114 Ų11432%0.31857%0.569SS.*Hα-helixtrans-58.1-50.3177.1-65170.5000110.7D75 M76 H81 E82 E83D75-I79 PolarHBondContact O-N 3.38Å; D75-I79 VanDerWaalsContact O-N 3.1Å; M76-I79 HydrophobicContact SD-CD1 4.17Å; I79-H81 VanDerWaalsContact C-N 3.28Å; I79-H81 PolarHBondContact O-N 3.04Å; I79-E82 PolarHBondContact O-N 3.46Å; I79-E83 WeakPolarHBondContact O-CG 3.08Å; I79-E83 PolarHBondContact O-N 3.16Å
80K95.8Very high90.1Very high128 Ų128116.2 Ų116.256%0.55757%0.574SS**Hα-helixtrans-61.5-34.9177.8-74177.5179.6-1770113M76 K78 R84M76-K80 WeakPolarHBondContact O-CB 2.77Å; M76-K80 VanDerWaalsContact O-CG 3.28Å; M76-K80 WeakPolarHBondContact O-CG 3.43Å; M76-K80 PolarHBondContact O-N 3.5Å; K78-K80 PolarHBondContact O-N 3.36Å; K80-R84 WeakPolarHBondContact O-CB 3.37Å; K80-R84 PolarHBondContact O-N 3.13Å
81H95.1Very high90.1Very high98 Ų98117.8 Ų117.845%0.45456%0.558SS.*Hα-helixtrans-67.6-44.9176.2-178.167.1000111.6T77 K78 I79 E83 R84 L85T77-H81 WeakPolarHBondContact O-CB 3.3Å; T77-H81 PolarHBondContact O-N 2.89Å; K78-H81 WeakPolarHBondContact O-CB 3.49Å; K78-H81 PolarHBondContact O-N 2.82Å; I79-H81 VanDerWaalsContact C-N 3.28Å; I79-H81 PolarHBondContact O-N 3.04Å; H81-E83 VanDerWaalsContact C-N 3.34Å; H81-E83 PolarHBondContact O-N 3.03Å; H81-R84 PolarHBondContact O-N 3.05Å; H81-L85 WeakPolarHBondContact NE2-CD1 3.23Å; H81-L85 WeakPolarHBondContact O-CG 3.49Å; H81-L85 PolarHBondContact O-N 3.3Å
82E96Very high89.6Confident85 Ų85113.7 Ų113.740%0.39755%0.551SS.*Hα-helixtrans-62-40.9175.7-71.4177.1-169.800111.9K78 I79 L85 K86K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 WeakPolarHBondContact O-CG 3.3Å; K78-E82 PolarHBondContact O-N 3.02Å; I79-E82 PolarHBondContact O-N 3.46Å; E82-L85 PolarHBondContact O-N 3.42Å; E82-K86 WeakPolarHBondContact O-CG 3.17Å; E82-K86 PolarHBondContact O-N 3.28Å
83E96.3Very high89.3Confident105 Ų105116.1 Ų116.149%0.49156%0.562SS.*Hα-helixtrans-59.9-49.3173-73.1173.7164.800111.7I79 H81 L85 K86 E87I79-E83 WeakPolarHBondContact O-CG 3.08Å; I79-E83 PolarHBondContact O-N 3.16Å; H81-E83 VanDerWaalsContact C-N 3.34Å; H81-E83 PolarHBondContact O-N 3.03Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 3.48Å; E83-K86 WeakPolarHBondContact O-CB 3.48Å; E83-K86 PolarHBondContact O-N 3.06Å; E83-K86 VanDerWaalsContact O-N 3.12Å; E83-E87 WeakPolarHBondContact O-CG 3.45Å; E83-E87 PolarHBondContact O-N 2.86Å
84R94Very high88.7Confident170 Ų170113.3 Ų113.364%0.64255%0.553SS**Hα-helixtrans-59.6-38.6177.4-173.3-176.2-65.6155.20.3112.3K80 H81 E87 K88K80-R84 WeakPolarHBondContact O-CB 3.37Å; K80-R84 PolarHBondContact O-N 3.13Å; H81-R84 PolarHBondContact O-N 3.05Å; R84-E87 PolarHBondContact O-N 3.47Å; R84-K88 WeakPolarHBondContact O-CB 3.43Å; R84-K88 PolarHBondContact O-N 3.29Å
85L93.2Very high88.2Confident80 Ų80112.8 Ų112.842%0.41956%0.558SS.*Hα-helixtrans-66.8-43.4175.3-73176.9000111.6H81 E82 E83 E87 K88 I89H81-L85 WeakPolarHBondContact NE2-CD1 3.23Å; H81-L85 WeakPolarHBondContact O-CG 3.49Å; H81-L85 PolarHBondContact O-N 3.3Å; E82-L85 PolarHBondContact O-N 3.42Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 3.48Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.44Å; L85-K88 PolarHBondContact O-N 2.95Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 2.97Å
86K94.5Very high87.6Confident128 Ų128118.2 Ų118.256%0.55758%0.579SS**Hα-helixtrans-60.9-40.9174.9-72.9170.9-175.8170.90111.6E82 E83 I89 K90E82-K86 WeakPolarHBondContact O-CG 3.17Å; E82-K86 PolarHBondContact O-N 3.28Å; E83-K86 WeakPolarHBondContact O-CB 3.48Å; E83-K86 PolarHBondContact O-N 3.06Å; E83-K86 VanDerWaalsContact O-N 3.12Å; K86-I89 PolarHBondContact O-N 3.5Å; K86-K90 VanDerWaalsContact O-CG 3.3Å; K86-K90 WeakPolarHBondContact O-CG 3.26Å; K86-K90 PolarHBondContact O-N 2.84Å
87E91.3Very high86.7Confident122 Ų122120 Ų12057%0.5759%0.59SS**Hα-helixtrans-62.9-48.2174.1-72.5177.3169.400111.6E83 R84 L85 I89 K90 E91E83-E87 WeakPolarHBondContact O-CG 3.45Å; E83-E87 PolarHBondContact O-N 2.86Å; R84-E87 PolarHBondContact O-N 3.47Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.44Å; E87-I89 VanDerWaalsContact C-N 3.25Å; E87-I89 PolarHBondContact O-N 2.94Å; E87-K90 WeakPolarHBondContact O-CA 3.39Å; E87-K90 WeakPolarHBondContact O-CB 3.33Å; E87-K90 PolarHBondContact O-N 3.02Å; E87-E91 WeakPolarHBondContact O-CG 3.3Å; E87-E91 PolarHBondContact O-N 3.27Å
88K87.4Confident85.9Confident151 Ų151119 Ų11966%0.65759%0.585SS**Hα-helixtrans-59.8-35.3177.6-169.6177.7-178.8-179.40112.7R84 L85R84-K88 WeakPolarHBondContact O-CB 3.43Å; R84-K88 PolarHBondContact O-N 3.29Å; L85-K88 PolarHBondContact O-N 2.95Å
89I88.6Confident84.9Confident136 Ų136119.4 Ų119.470%0.69760%0.601SS**Hα-helixtrans-69.2-42.1174-67.9164.4000110.7L85 K86 E87 E91 G92L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.4Å; L85-I89 PolarHBondContact O-N 2.97Å; K86-I89 PolarHBondContact O-N 3.5Å; E87-I89 VanDerWaalsContact C-N 3.25Å; E87-I89 PolarHBondContact O-N 2.94Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.78Å; I89-G92 PolarHBondContact O-N 2.84Å
90K87.8Confident83.8Confident177 Ų177120 Ų12077%0.7761%0.61SS**Hα-helixtrans-64.1-34.8177.1-74.5173.8-177.9-1790113K86 E87 G92K86-K90 VanDerWaalsContact O-CG 3.3Å; K86-K90 WeakPolarHBondContact O-CG 3.26Å; K86-K90 PolarHBondContact O-N 2.84Å; E87-K90 WeakPolarHBondContact O-CA 3.39Å; E87-K90 WeakPolarHBondContact O-CB 3.33Å; E87-K90 PolarHBondContact O-N 3.02Å; K90-G92 PolarHBondContact O-N 3.16Å
91E80.5Confident82.5Confident116 Ų116117 Ų11754%0.54262%0.616SS.*THydrogen-bonded Turntrans-64.3-17.8177.4-69.4-158.6113.400113.3E87 I89 K94E87-E91 WeakPolarHBondContact O-CG 3.3Å; E87-E91 PolarHBondContact O-N 3.27Å; I89-E91 VanDerWaalsContact C-N 3.34Å; I89-E91 PolarHBondContact O-N 2.78Å; E91-K94 IonicContact OE1-NZ 2.87Å; E91-K94 PolarHBondContact OE1-NZ 2.84Å
92G73.3Confident81.1Confident45 Ų45118 Ų11846%0.46463%0.634SS.*  trans63.2-179.7-176.800000112.6I89 K90 K94I89-G92 PolarHBondContact O-N 2.84Å; K90-G92 PolarHBondContact O-N 3.16Å; G92-K94 VanDerWaalsContact C-N 3.26Å; G92-K94 PolarHBondContact O-N 2.93Å
93V73.9Confident79.6Confident151 Ų151122.5 Ų122.592%0.91565%0.652SS**  trans-74.883.8171.5-174.80000107.7A95V93-A95 PolarHBondContact O-N 2.94Å; V93-A95 VanDerWaalsContact O-N 3.15Å
94K70.9Confident78.1Confident146 Ų146125.9 Ų125.964%0.63567%0.668SS**  trans-61.5116.4164.4-76.3175.4-175.8164.50106.8E91 G92 F96E91-K94 IonicContact OE1-NZ 2.87Å; E91-K94 PolarHBondContact OE1-NZ 2.84Å; G92-K94 VanDerWaalsContact C-N 3.26Å; G92-K94 PolarHBondContact O-N 2.93Å; K94-F96 PolarHBondContact O-N 2.9Å
95A73.9Confident76.6Confident77 Ų77126.4 Ų126.464%0.63668%0.682SS**  trans-53.7128.1171.300000108.2V93 L97V93-A95 PolarHBondContact O-N 2.94Å; V93-A95 VanDerWaalsContact O-N 3.15Å; A95-L97 PolarHBondContact O-N 2.88Å
96F76.3Confident74.9Confident172 Ų172127.8 Ų127.875%0.75469%0.689SS**  trans-59.6112.5175173.2-99000108.4K94 P98K94-F96 PolarHBondContact O-N 2.9Å; F96-P98 HydrophobicContact CE1-CB 3.95Å; F96-P98 HydrophobicContact CZ-CB 4.49Å
97L72.4Confident73.2Confident147 Ų147124.3 Ų124.377%0.7769%0.69SS**  trans-93.9112.6170.2-67.2172.9000106.6A95A95-L97 PolarHBondContact O-N 2.88Å
98P76.8Confident71.3Confident77 Ų77124.8 Ų124.850%0.571%0.706SS.*  trans-56.5137.6174.623-31.8000109.3F96 S100F96-P98 HydrophobicContact CE1-CB 3.95Å; F96-P98 HydrophobicContact CZ-CB 4.49Å; P98-S100 PolarHBondContact O-N 2.75Å
99P70.8Confident69.9Low135 Ų135121.5 Ų121.588%0.87772%0.715SS**SBendtrans-65.3-8.9-173.124.8-34.3000114
100S70.5Confident68.4Low73 Ų73116.8 Ų116.851%0.5170%0.695SS.*SBendtrans-114.1121173.958.90000109.4P98P98-S100 PolarHBondContact O-N 2.75Å
101G68.8Low66.9Low65 Ų65119.4 Ų119.467%0.6770%0.701SS**  trans-54.2158.9168.900000111.2K103G101-K103 PolarHBondContact O-N 3.3Å
102S65.8Low65.7Low119 Ų119124.9 Ų124.983%0.83272%0.717SS**  trans-47.8113.4175.753.20000109.5Q104S102-Q104 PolarHBondContact O-N 3.46Å
103K65.8Low64.7Low181 Ų181125 Ų12579%0.78772%0.718SS**  trans-57.5127169.1-65.6-172.6179.4-169.70106.2G101 L105G101-K103 PolarHBondContact O-N 3.3Å; K103-L105 PolarHBondContact O-N 2.84Å
104Q64.3Low63.8Low176 Ų176123.6 Ų123.682%0.82271%0.71SS**  trans-52.4142173.3-71.1-178.2-19.800108.2S102 I106S102-Q104 PolarHBondContact O-N 3.46Å; Q104-I106 VanDerWaalsContact C-N 3.35Å; Q104-I106 WeakPolarHBondContact O-CG1 3.03Å; Q104-I106 PolarHBondContact O-N 3.01Å
105L61.5Low63Low181 Ų181124.1 Ų124.195%0.94871%0.713SS**  trans-61.2102173.4-73.6160.1000107.1K103 G107K103-L105 PolarHBondContact O-N 2.84Å; L105-G107 PolarHBondContact O-N 3.12Å
106I57.7Low62.3Low109 Ų109126.1 Ų126.156%0.55972%0.722SS**  trans-79.1108.3179.4-61.5160.7000106.6Q104 S110Q104-I106 VanDerWaalsContact C-N 3.35Å; Q104-I106 WeakPolarHBondContact O-CG1 3.03Å; Q104-I106 PolarHBondContact O-N 3.01Å; I106-S110 WeakPolarHBondContact CG2-OG 3.3Å
107G58.8Low61.7Low55 Ų55125.1 Ų125.157%0.56772%0.719SS**  trans-67.7175.3179.500000113.6L105 G109L105-G107 PolarHBondContact O-N 3.12Å; G107-G109 PolarHBondContact O-N 3.48Å
108S51.5Low61.4Low132 Ų132124.4 Ų124.492%0.92372%0.724SS**THydrogen-bonded Turntrans-45.8122.5174.950.70000111.8
109G59.1Low60.9Low82 Ų82123.5 Ų123.585%0.84571%0.714SS**THydrogen-bonded Turntrans116.14.4173.500000117G107G107-G109 PolarHBondContact O-N 3.48Å
110S57.1Low60.6Low37 Ų37120.2 Ų120.226%0.25969%0.694SS.*  trans-88.3149.4173.880.70000114I106 W112 G113I106-S110 WeakPolarHBondContact CG2-OG 3.3Å; S110-W112 PolarHBondContact O-N 3.02Å; S110-G113 PolarHBondContact O-N 3.3Å
111Y56.1Low60.3Low231 Ų231126.5 Ų126.591%0.90671%0.708SS**THydrogen-bonded Turntrans-59.4-6-176.9-80.1-87.3000116.3
112W55.6Low60.2Low231 Ų231130.9 Ų130.988%0.87571%0.709SS**THydrogen-bonded Turntrans-117.68176.2-66-57.1000114S110S110-W112 PolarHBondContact O-N 3.02Å
113G51.6Low60.2Low47 Ų47132.8 Ų132.849%0.48570%0.698SS.*  trans-11279.6-179.200000112.9S110 F115S110-G113 PolarHBondContact O-N 3.3Å; G113-F115 PolarHBondContact O-N 3.12Å; G113-F115 VanDerWaalsContact O-N 3.08Å
114T54.2Low60.1Low123 Ų123132.6 Ų132.676%0.75571%0.706SS**  trans-80.824.9-169.9-24.60000115.2
115F55Low60.3Low157 Ų157130.6 Ų130.669%0.68970%0.696SS**  trans-132.280.2179-59-56.5000109.8G113 Q117 I119G113-F115 PolarHBondContact O-N 3.12Å; G113-F115 VanDerWaalsContact O-N 3.08Å; F115-Q117 VanDerWaalsContact C-N 3.29Å; F115-Q117 PolarHBondContact O-N 3.32Å; F115-I119 HydrophobicContact CB-CD1 4.35Å; F115-I119 HydrophobicContact CD1-CD1 3.18Å; F115-I119 HydrophobicContact CD1-CG1 4.36Å; F115-I119 HydrophobicContact CE1-CD1 3.52Å; F115-I119 HydrophobicContact CG-CD1 3.87Å; F115-I119 HydrophobicContact CZ-CD1 4.45Å
116S59.5Low60.3Low118 Ų118131.9 Ų131.983%0.82570%0.695SS**  trans-82-1.7-177.955.60000114.1
117Q63.5Low60.6Low151 Ų151133.8 Ų133.871%0.70671%0.705SS**SBendtrans-140.9149.9179.6-66.3-166.8-500110.9F115 I119F115-Q117 VanDerWaalsContact C-N 3.29Å; F115-Q117 PolarHBondContact O-N 3.32Å; Q117-I119 PolarHBondContact O-N 2.96Å
118P65.1Low60.9Low132 Ų132140.3 Ų140.386%0.85772%0.717SS**  trans-60.4104.3173.323.8-31.2000109.1S120P118-S120 PolarHBondContact O-N 3.37Å
119I65.9Low61.4Low58 Ų58137.8 Ų137.830%0.29770%0.699SS.*  trans-67.4123173.2-64.8162.9000107F115 Q117 Y121 F122F115-I119 HydrophobicContact CB-CD1 4.35Å; F115-I119 HydrophobicContact CD1-CD1 3.18Å; F115-I119 HydrophobicContact CD1-CG1 4.36Å; F115-I119 HydrophobicContact CE1-CD1 3.52Å; F115-I119 HydrophobicContact CG-CD1 3.87Å; F115-I119 HydrophobicContact CZ-CD1 4.45Å; Q117-I119 PolarHBondContact O-N 2.96Å; I119-Y121 HydrophobicContact CG2-CD2 3.9Å; I119-Y121 PolarHBondContact O-N 2.96Å; I119-F122 HydrophobicContact CB-CD2 3.64Å; I119-F122 HydrophobicContact CB-CE2 4.3Å; I119-F122 HydrophobicContact CD1-CD2 3.9Å; I119-F122 HydrophobicContact CD1-CE2 3.82Å; I119-F122 HydrophobicContact CG1-CD2 4.4Å; I119-F122 HydrophobicContact CG2-CD2 3.57Å; I119-F122 HydrophobicContact CG2-CE2 4.01Å; I119-F122 PolarHBondContact O-N 3.49Å
120S65.8Low61.9Low66 Ų66141.6 Ų141.646%0.46270%0.699SS.*THydrogen-bonded Turntrans-56.2-14.2-176.656.20000114.6P118 R123P118-S120 PolarHBondContact O-N 3.37Å; S120-R123 WeakPolarHBondContact O-CG 3.19Å; S120-R123 PolarHBondContact O-NE 3.04Å
121Y64.4Low62Low205 Ų205148.5 Ų148.580%0.80472%0.724SS**THydrogen-bonded Turntrans-94.6-12.3178.7-57-75.6000114.6I119 R123I119-Y121 HydrophobicContact CG2-CD2 3.9Å; I119-Y121 PolarHBondContact O-N 2.96Å; Y121-R123 PolarHBondContact O-N 2.94Å
122F65.3Low62.4Low158 Ų158141.9 Ų141.969%0.69371%0.712SS**  trans-101.849.7179-71.4-89000111.6I119I119-F122 HydrophobicContact CB-CD2 3.64Å; I119-F122 HydrophobicContact CB-CE2 4.3Å; I119-F122 HydrophobicContact CD1-CD2 3.9Å; I119-F122 HydrophobicContact CD1-CE2 3.82Å; I119-F122 HydrophobicContact CG1-CD2 4.4Å; I119-F122 HydrophobicContact CG2-CD2 3.57Å; I119-F122 HydrophobicContact CG2-CE2 4.01Å; I119-F122 PolarHBondContact O-N 3.49Å
123R65.8Low62.9Low159 Ų159135.5 Ų135.560%0.670%0.702SS**  trans-79.1135.8174-45.5-175.5-168.3-165.80.8108.6S120 Y121 E125S120-R123 WeakPolarHBondContact O-CG 3.19Å; S120-R123 PolarHBondContact O-NE 3.04Å; Y121-R123 PolarHBondContact O-N 2.94Å; R123-E125 HydrophobicContact CB-CB 4.36Å; R123-E125 HydrophobicContact CB-CG 4.21Å; R123-E125 PolarHBondContact O-N 3.24Å
124N65.3Low63.6Low177 Ų177140.7 Ų140.795%0.94772%0.719SS**  trans-71.429.3171.1-91.6-2.4000112.9
125E68Low64.3Low133 Ų133142.7 Ų142.762%0.62172%0.72SS**  trans-84.3122.3174.1-70.2173.4-172.700107.9R123 I127R123-E125 HydrophobicContact CB-CB 4.36Å; R123-E125 HydrophobicContact CB-CG 4.21Å; R123-E125 PolarHBondContact O-N 3.24Å; E125-I127 PolarHBondContact O-N 3.19Å
126F61Low64.9Low208 Ų208144 Ų14491%0.91273%0.725SS**  trans-62.789168.5-93.2-89.6000108.7K128F126-K128 VanDerWaalsContact C-N 3.34Å; F126-K128 PolarHBondContact O-N 3.37Å
127I65.2Low65.4Low150 Ų150142.3 Ų142.377%0.76971%0.707SS**  trans-66.8101.2165-56174.8000105.4E125 S129E125-I127 PolarHBondContact O-N 3.19Å; I127-S129 PolarHBondContact O-N 3.19Å
128K63.7Low65.4Low191 Ų191143 Ų14383%0.8371%0.708SS**  trans-62.989.1168.9-73-178.1-179.4178.60107.4F126 I130F126-K128 VanDerWaalsContact C-N 3.34Å; F126-K128 PolarHBondContact O-N 3.37Å; K128-I130 PolarHBondContact O-N 3.47Å
129S62.9Low65.4Low79 Ų79147.1 Ų147.155%0.55271%0.708SS**  trans-63109.7167.864.20000106.8I127 K131I127-S129 PolarHBondContact O-N 3.19Å; S129-K131 PolarHBondContact O-N 3.05Å
130I68.2Low65.5Low163 Ų163149.6 Ų149.684%0.83673%0.726SS**  trans-68.986.9165.7-58.6166.1000104.8K128 S132K128-I130 PolarHBondContact O-N 3.47Å; I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 3.2Å
131K59.9Low65.6Low181 Ų181149.2 Ų149.279%0.78772%0.723SS**  trans-73.295.2167.9-67.4-172.3-179.6-176.30105.8S129 S133S129-K131 PolarHBondContact O-N 3.05Å; K131-S133 PolarHBondContact O-N 3.31Å
132S64.5Low65.8Low93 Ų93143.6 Ų143.665%0.6571%0.712SS**  trans-59.6118.6156.848.10000106.3I130 D134I130-S132 VanDerWaalsContact C-N 3.3Å; I130-S132 PolarHBondContact O-N 3.2Å; S132-D134 PolarHBondContact O-N 2.95Å
133S65.3Low65.8Low96 Ų96140 Ų14067%0.67171%0.707SS**  trans-63.8122.3163.7530000106.7K131 E135K131-S133 PolarHBondContact O-N 3.31Å; S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 3.1Å
134D67.7Low65.7Low156 Ų156140.6 Ų140.683%0.83471%0.714SS**  trans-61.5100.6164-69.9-24.5000106.4S132S132-D134 PolarHBondContact O-N 2.95Å
135E69.2Low65Low165 Ų165142.2 Ų142.277%0.77171%0.712SS**  trans-57.7149.3172.9-68-174.3172.700108.6S133 N137S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 3.1Å; E135-N137 PolarHBondContact O-N 2.99Å
136K66.7Low64.4Low185 Ų185140 Ų14080%0.80473%0.726SS**  trans-54.6116.2178.4-74.2179.8179.4176.40109F138K136-F138 PolarHBondContact O-N 3.18Å
137N70.9Confident63.6Low83 Ų83132.9 Ų132.944%0.44471%0.705SS.*  trans-63.7111.8180-179.7-8.4000109.3E135 Y139 T140 S141E135-N137 PolarHBondContact O-N 2.99Å; N137-Y139 PolarHBondContact O-N 3.27Å; N137-Y139 PolarHBondContact OD1-N 3.47Å; N137-Y139 VanDerWaalsContact OD1-N 3.16Å; N137-T140 VanDerWaalsContact CB-OG1 3.3Å; N137-T140 WeakPolarHBondContact CB-OG1 3.17Å; N137-T140 PolarHBondContact O-N 2.86Å; N137-T140 PolarHBondContact O-OG1 3.27Å; N137-S141 PolarHBondContact O-N 3.1Å; N137-S141 PolarHBondContact O-OG 2.9Å
138F63Low62.8Low165 Ų165128.4 Ų128.472%0.72470%0.696SS**THydrogen-bonded Turntrans-60.7-25.7-174.7-132-84.4000112.4K136K136-F138 PolarHBondContact O-N 3.18Å
139Y65.5Low62.2Low219 Ų219124.8 Ų124.886%0.85969%0.694SS**THydrogen-bonded Turntrans-81-35.1178.3-78.2-84.2000113.3N137N137-Y139 PolarHBondContact O-N 3.27Å; N137-Y139 PolarHBondContact OD1-N 3.47Å; N137-Y139 VanDerWaalsContact OD1-N 3.16Å
140T66.6Low61.6Low109 Ų109126.4 Ų126.467%0.66971%0.706SS**THydrogen-bonded Turntrans-96.8-16.4-177.260.40000113.3N137N137-T140 VanDerWaalsContact CB-OG1 3.3Å; N137-T140 WeakPolarHBondContact CB-OG1 3.17Å; N137-T140 PolarHBondContact O-N 2.86Å; N137-T140 PolarHBondContact O-OG1 3.27Å
141S67.7Low61.2Low59 Ų59127.1 Ų127.141%0.41370%0.699SS.*SBendtrans-137.860.7179.755.60000112.1N137 S143N137-S141 PolarHBondContact O-N 3.1Å; N137-S141 PolarHBondContact O-OG 2.9Å; S141-S143 PolarHBondContact O-N 3.18Å
142P68.4Low61.2Low86 Ų86122.6 Ų122.656%0.55869%0.688SS**  trans-62.3135.317727.7-33.6000109.5K144P142-K144 PolarHBondContact O-N 2.6Å
143S65.6Low61Low84 Ų84123.3 Ų123.359%0.58769%0.685SS**  trans-54.6136.8169.6540000109.3S141 K145S141-S143 PolarHBondContact O-N 3.18Å; S143-K145 PolarHBondContact O-N 3.28Å
144K63.6Low60.8Low171 Ų171124.3 Ų124.374%0.74369%0.687SS**  trans-47.3104.7-178.4-172.3170.6177.7-176.60110.6P142 G146 A147P142-K144 PolarHBondContact O-N 2.6Å; K144-G146 PolarHBondContact O-N 3.11Å; K144-A147 HydrophobicContact CB-CB 4.14Å; K144-A147 HydrophobicContact CD-CB 3.6Å; K144-A147 HydrophobicContact CG-CB 3.79Å; K144-A147 PolarHBondContact O-N 2.96Å
145K52.2Low60.6Low210 Ų210122.3 Ų122.391%0.91368%0.68SS**THydrogen-bonded Turntrans-55.2111172.8-79.5-173.7174.9-178.60107.5S143S143-K145 PolarHBondContact O-N 3.28Å
146G53.8Low60.4Low88 Ų88123.4 Ų123.491%0.90769%0.69SS**THydrogen-bonded Turntrans101.97.2176.600000117.5K144K144-G146 PolarHBondContact O-N 3.11Å
147A45.7Very low60.5Low58 Ų58117 Ų11748%0.47968%0.676SS.*  trans-124.928176.300000114.1K144K144-A147 HydrophobicContact CB-CB 4.14Å; K144-A147 HydrophobicContact CD-CB 3.6Å; K144-A147 HydrophobicContact CG-CB 3.79Å; K144-A147 PolarHBondContact O-N 2.96Å
148G47.8Very low60.6Low56 Ų56122.8 Ų122.858%0.57770%0.697SS**  trans-95.189.3179.500000111.8S150G148-S150 PolarHBondContact O-N 3.05Å
149S51.3Low61.1Low114 Ų114119.1 Ų119.180%0.79769%0.685SS**THydrogen-bonded Turntrans-57.7126.1153.7-47.30000107.4
150S50.1Low61.5Low114 Ų114114.2 Ų114.280%0.79768%0.68SS**THydrogen-bonded Turntrans99.428.9163.793.50000121.4G148 P152G148-S150 PolarHBondContact O-N 3.05Å; S150-P152 WeakPolarHBondContact O-CD 3.18Å
151Y60.4Low62Low177 Ų177113.3 Ų113.369%0.69468%0.683SS**  trans-92.4115.2155.5-74.1-73.4000110.1N153 V154Y151-N153 PolarHBondContact O-N 3.19Å; Y151-V154 VanDerWaalsContact CB-CG2 3.44Å
152P59Low62.3Low86 Ų86120 Ų12056%0.55870%0.7SS**THydrogen-bonded Turntrans-63.1134.3169.925.8-29.6000108.9S150 L159S150-P152 WeakPolarHBondContact O-CD 3.18Å; P152-L159 VanDerWaalsContact CA-CD1 3.48Å; P152-L159 HydrophobicContact CB-CD1 3.58Å; P152-L159 HydrophobicContact CB-CD2 3.65Å; P152-L159 HydrophobicContact CB-CG 4.24Å
153N60.9Low62.6Low109 Ų109121.2 Ų121.258%0.58371%0.706SS**THydrogen-bonded Turntrans8425.7-179.8-57.3-36.2000117.5Y151 L159Y151-N153 PolarHBondContact O-N 3.19Å; N153-L159 VanDerWaalsContact OD1-CD1 3.3Å; N153-L159 WeakPolarHBondContact OD1-CD1 3.12Å; N153-L159 PolarHBondContact OD1-N 3.42Å
154V61.3Low62.8Low117 Ų117120.6 Ų120.671%0.70970%0.702SS**  trans-91.3-19.8174.3179.30000113.4Y151Y151-V154 VanDerWaalsContact CB-CG2 3.44Å
155T63.8Low62.8Low113 Ų113117.9 Ų117.969%0.69369%0.692SS**SBendtrans-90.3159.7177.148.20000112.1G157T155-G157 VanDerWaalsContact C-N 3.34Å; T155-G157 PolarHBondContact O-N 3.19Å
156I64Low63.4Low189 Ų189112.1 Ų112.197%0.96968%0.676SS**SBendtrans-6691.8174.7-53.1170.3000108.4
157G69.3Low63.5Low50 Ų50116.6 Ų116.652%0.51567%0.667SS.*SBendtrans151.3137.317900000112.6T155T155-G157 VanDerWaalsContact C-N 3.34Å; T155-G157 PolarHBondContact O-N 3.19Å
158K73.7Confident64Low205 Ų205119.3 Ų119.389%0.89167%0.673SS**PPolyproline II helixtrans-64.8133.9172.3-83.1-179.3175.4177.70109.5
159L73.1Confident64.5Low88 Ų88119.7 Ų119.746%0.46166%0.661SS.*PPolyproline II helixtrans-59.6137.1167-101.794.1000110.2P152 N153P152-L159 VanDerWaalsContact CA-CD1 3.48Å; P152-L159 HydrophobicContact CB-CD1 3.58Å; P152-L159 HydrophobicContact CB-CD2 3.65Å; P152-L159 HydrophobicContact CB-CG 4.24Å; N153-L159 VanDerWaalsContact OD1-CD1 3.3Å; N153-L159 WeakPolarHBondContact OD1-CD1 3.12Å; N153-L159 PolarHBondContact OD1-N 3.42Å
160P73.6Confident64.7Low116 Ų116119.5 Ų119.575%0.75365%0.651SS**PPolyproline II helixtrans-61.5140.9170.426.3-32.2000109.7Y162P160-Y162 PolarHBondContact O-N 3.28Å
161A76.9Confident65.1Low89 Ų89118.8 Ų118.874%0.73664%0.638SS**PPolyproline II helixtrans-60.6136.5175.300000109.5V163A161-V163 PolarHBondContact O-N 3.05Å
162Y73.8Confident65.1Low199 Ų199114.6 Ų114.678%0.7863%0.627SS**PPolyproline II helixtrans-59.6121.1173174.5-99.9000109.2P160P160-Y162 PolarHBondContact O-N 3.28Å
163V74.9Confident65.3Low113 Ų113115.8 Ų115.869%0.68562%0.623SS**  trans-117.7119.8171.4-179.10000106A161 E165A161-V163 PolarHBondContact O-N 3.05Å; V163-E165 PolarHBondContact O-N 3.35Å
164S69.5Low65.6Low71 Ų71114.3 Ų114.350%0.49762%0.619SS.*  trans-66.6113.1173.155.90000108.4P166S164-P166 VanDerWaalsContact O-CD 3.26Å; S164-P166 WeakPolarHBondContact O-CD 3.26Å
165E64.3Low66Low113 Ų113112.5 Ų112.553%0.52861%0.605SS.*  trans-78.4110.9173-82.5-172.3-174.400109.6V163 Y167 L168V163-E165 PolarHBondContact O-N 3.35Å; E165-Y167 PolarHBondContact O-N 3.21Å; E165-L168 HydrophobicContact CB-CB 4.46Å; E165-L168 HydrophobicContact CB-CD1 4.3Å; E165-L168 HydrophobicContact CB-CG 4.29Å; E165-L168 PolarHBondContact O-N 3.26Å; E165-L168 WeakPolarHBondContact OE2-CD1 3.42Å; E165-L168 WeakPolarHBondContact OE2-CG 3.41Å
166P64.4Low66.2Low90 Ų90111.9 Ų111.958%0.58460%0.598SS**THydrogen-bonded Turntrans-65.7-12.4-175.126.6-34.2000113.6S164S164-P166 VanDerWaalsContact O-CD 3.26Å; S164-P166 WeakPolarHBondContact O-CD 3.26Å
167Y56.5Low66.7Low182 Ų182107.5 Ų107.571%0.71458%0.575SS**THydrogen-bonded Turntrans-91.3-27.4-177.9-67.6-76.3000113.9E165E165-Y167 PolarHBondContact O-N 3.21Å
168L56.3Low67Low115 Ų115111.1 Ų111.160%0.60258%0.576SS**THydrogen-bonded Turntrans-82.7-24.9177.9-67.3-178.6000112.5E165 N170E165-L168 HydrophobicContact CB-CB 4.46Å; E165-L168 HydrophobicContact CB-CD1 4.3Å; E165-L168 HydrophobicContact CB-CG 4.29Å; E165-L168 PolarHBondContact O-N 3.26Å; E165-L168 WeakPolarHBondContact OE2-CD1 3.42Å; E165-L168 WeakPolarHBondContact OE2-CG 3.41Å; L168-N170 PolarHBondContact O-N 2.82Å
169D56.5Low67.1Low63 Ų63105.6 Ų105.634%0.33756%0.557SS.*THydrogen-bonded Turntrans-80.3-18.2-167.9-103.4-41.2000115.2K173D169-K173 WeakPolarHBondContact O-CD 3.47Å; D169-K173 WeakPolarHBondContact O-CE 3.46Å; D169-K173 PolarHBondContact O-NZ 2.9Å; D169-K173 IonicContact OD1-NZ 2.88Å; D169-K173 PolarHBondContact OD1-NZ 3.43Å
170N56.7Low67.1Low110 Ų110106.6 Ų106.659%0.58856%0.559SS**THydrogen-bonded Turntrans-125.8-24.1-167.5-62.8-40.3000115L168L168-N170 PolarHBondContact O-N 2.82Å
171I58.3Low67.1Low100 Ų100108 Ų10851%0.51355%0.553SS.*Hα-helixtrans-81.5-39-170.5-58.7176000110.9
172D59.7Low67Low89 Ų89109.3 Ų109.348%0.47655%0.548SS..Hα-helixtrans-89.5-18.7-175.6-72.9-15.6000114.4T174 N176D172-T174 VanDerWaalsContact C-N 3.32Å; D172-T174 PolarHBondContact O-N 3.18Å; D172-N176 WeakPolarHBondContact O-CB 3.41Å; D172-N176 VanDerWaalsContact O-CG 3.29Å; D172-N176 PolarHBondContact O-N 3.18Å; D172-N176 PolarHBondContact O-ND2 3.16Å
173K63.4Low67.2Low110 Ų110104.3 Ų104.348%0.47854%0.542SS..Hα-helixtrans-64.7-39.5-179.5-71.5-178.3-173143.60111.1D169 I177D169-K173 WeakPolarHBondContact O-CD 3.47Å; D169-K173 WeakPolarHBondContact O-CE 3.46Å; D169-K173 PolarHBondContact O-NZ 2.9Å; D169-K173 IonicContact OD1-NZ 2.88Å; D169-K173 PolarHBondContact OD1-NZ 3.43Å; K173-I177 WeakPolarHBondContact O-CB 3.36Å; K173-I177 VanDerWaalsContact O-CD1 3.23Å; K173-I177 WeakPolarHBondContact O-CD1 3.28Å; K173-I177 WeakPolarHBondContact O-CG1 3.05Å; K173-I177 PolarHBondContact O-N 3.39Å
174T67.4Low67.1Low79 Ų79100.8 Ų100.849%0.48552%0.519SS..Hα-helixtrans-73-39.6-177.964.10000112.6D172 K178D172-T174 VanDerWaalsContact C-N 3.32Å; D172-T174 PolarHBondContact O-N 3.18Å; T174-K178 WeakPolarHBondContact O-CG 3.43Å; T174-K178 PolarHBondContact O-N 3.46Å; T174-K178 VanDerWaalsContact O-N 3.13Å
175N68.9Low67.3Low79 Ų79104.7 Ų104.742%0.42253%0.533SS..Hα-helixtrans-69.9-45.1176.1-70.1-21.7000111.3I177 K178 D179N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.37Å; N175-K178 WeakPolarHBondContact O-CB 3.42Å; N175-K178 PolarHBondContact O-N 2.86Å; N175-D179 PolarHBondContact O-N 3.36Å
176N69.1Low67.4Low100 Ų100103 Ų10354%0.53555%0.546SS..Hα-helixtrans-60.4-37175.1-79.3-48.2000112.9D172 H180D172-N176 WeakPolarHBondContact O-CB 3.41Å; D172-N176 VanDerWaalsContact O-CG 3.29Å; D172-N176 PolarHBondContact O-N 3.18Å; D172-N176 PolarHBondContact O-ND2 3.16Å; N176-H180 WeakPolarHBondContact O-CB 3.48Å; N176-H180 PolarHBondContact O-N 3.39Å
177I73.6Confident67.3Low97 Ų97108.3 Ų108.350%0.49756%0.555SS.*Hα-helixtrans-67.2-38.9175-71164.6000111.2K173 N175 K181K173-I177 WeakPolarHBondContact O-CB 3.36Å; K173-I177 VanDerWaalsContact O-CD1 3.23Å; K173-I177 WeakPolarHBondContact O-CD1 3.28Å; K173-I177 WeakPolarHBondContact O-CG1 3.05Å; K173-I177 PolarHBondContact O-N 3.39Å; N175-I177 VanDerWaalsContact C-N 3.3Å; N175-I177 PolarHBondContact O-N 3.37Å; I177-K181 HydrophobicContact CG2-CD 4.38Å; I177-K181 WeakPolarHBondContact O-CB 3.39Å; I177-K181 VanDerWaalsContact O-CG 3.3Å; I177-K181 WeakPolarHBondContact O-CG 3.36Å; I177-K181 PolarHBondContact O-N 2.93Å
178K75.6Confident67.7Low125 Ų125108.2 Ų108.254%0.54356%0.558SS.*Hα-helixtrans-67.8-44.8176.2-75.1175.5-178.1174.20111.4T174 N175 H180 K181 N182T174-K178 WeakPolarHBondContact O-CG 3.43Å; T174-K178 PolarHBondContact O-N 3.46Å; T174-K178 VanDerWaalsContact O-N 3.13Å; N175-K178 WeakPolarHBondContact O-CB 3.42Å; N175-K178 PolarHBondContact O-N 2.86Å; K178-H180 PolarHBondContact O-N 3.11Å; K178-K181 WeakPolarHBondContact O-CB 3.33Å; K178-K181 PolarHBondContact O-N 3.13Å; K178-K181 VanDerWaalsContact O-N 3.16Å; K178-N182 VanDerWaalsContact O-CG 3.32Å; K178-N182 PolarHBondContact O-N 2.84Å; K178-N182 PolarHBondContact O-ND2 3.44Å
179D77Confident68.1Low90 Ų90106.3 Ų106.348%0.48155%0.554SS.*Hα-helixtrans-65.1-39.3178.6-68.8-19.3000111.9N175 N182 S183N175-D179 PolarHBondContact O-N 3.36Å; D179-N182 PolarHBondContact O-N 3.1Å; D179-S183 VanDerWaalsContact O-CB 3.3Å; D179-S183 WeakPolarHBondContact O-CB 3.42Å; D179-S183 PolarHBondContact O-N 3.21Å; D179-S183 PolarHBondContact O-OG 3.39Å
180H73.4Confident68Low109 Ų109113.1 Ų113.151%0.50558%0.581SS.*Hα-helixtrans-63-42.9171.8177.8-71000111.6N176 K178 I184N176-H180 WeakPolarHBondContact O-CB 3.48Å; N176-H180 PolarHBondContact O-N 3.39Å; K178-H180 PolarHBondContact O-N 3.11Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 VanDerWaalsContact ND1-CD1 3.3Å; H180-I184 WeakPolarHBondContact ND1-CD1 3.37Å; H180-I184 WeakPolarHBondContact O-CB 3.46Å; H180-I184 WeakPolarHBondContact O-CG1 3.3Å; H180-I184 PolarHBondContact O-N 3.21Å
181K72.7Confident68Low144 Ų144113.7 Ų113.763%0.62658%0.583SS**Hα-helixtrans-63.3-40.3175.4-77.5177.1179.3-176.90112.2I177 K178 I184I177-K181 HydrophobicContact CG2-CD 4.38Å; I177-K181 WeakPolarHBondContact O-CB 3.39Å; I177-K181 VanDerWaalsContact O-CG 3.3Å; I177-K181 WeakPolarHBondContact O-CG 3.36Å; I177-K181 PolarHBondContact O-N 2.93Å; K178-K181 WeakPolarHBondContact O-CB 3.33Å; K178-K181 PolarHBondContact O-N 3.13Å; K178-K181 VanDerWaalsContact O-N 3.16Å; K181-I184 PolarHBondContact O-N 3.34Å
182N76.2Confident67.6Low118 Ų118117.2 Ų117.263%0.63160%0.597SS**Hα-helixtrans-69.1-43.4178-71.5-18.1000112.1K178 D179 I184 L185K178-N182 VanDerWaalsContact O-CG 3.32Å; K178-N182 PolarHBondContact O-N 2.84Å; K178-N182 PolarHBondContact O-ND2 3.44Å; D179-N182 PolarHBondContact O-N 3.1Å; N182-I184 PolarHBondContact O-N 3Å; N182-I184 VanDerWaalsContact O-N 3.16Å; N182-L185 PolarHBondContact O-N 3.36Å
183S76.8Confident66.9Low93 Ų93119.2 Ų119.265%0.6562%0.617SS**Hα-helixtrans-61.6-23.8177.5-61.50000113D179D179-S183 VanDerWaalsContact O-CB 3.3Å; D179-S183 WeakPolarHBondContact O-CB 3.42Å; D179-S183 PolarHBondContact O-N 3.21Å; D179-S183 PolarHBondContact O-OG 3.39Å
184I72Confident65.8Low39 Ų39116.8 Ų116.820%0.262%0.623CS.*THydrogen-bonded Turntrans-84-10.8179.7-74.5-179.2000112.4H180 K181 N182 G186 R187H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 VanDerWaalsContact ND1-CD1 3.3Å; H180-I184 WeakPolarHBondContact ND1-CD1 3.37Å; H180-I184 WeakPolarHBondContact O-CB 3.46Å; H180-I184 WeakPolarHBondContact O-CG1 3.3Å; H180-I184 PolarHBondContact O-N 3.21Å; K181-I184 PolarHBondContact O-N 3.34Å; N182-I184 PolarHBondContact O-N 3Å; N182-I184 VanDerWaalsContact O-N 3.16Å; I184-G186 PolarHBondContact O-N 2.88Å; I184-R187 VanDerWaalsContact CG2-C 3.48Å; I184-R187 HydrophobicContact CG2-CB 3.74Å; I184-R187 WeakPolarHBondContact CG2-O 3.3Å; I184-R187 VanDerWaalsContact O-CB 3.3Å; I184-R187 WeakPolarHBondContact O-CB 3.26Å; I184-R187 PolarHBondContact O-N 3.46Å
185L75.5Confident64.8Low153 Ų153119 Ų11980%0.80163%0.632SS**THydrogen-bonded Turntrans47.337.4172.7-73.6131.8000113.6N182 R187N182-L185 PolarHBondContact O-N 3.36Å; L185-R187 PolarHBondContact O-N 2.9Å
186G65.7Low64.1Low78 Ų78121.3 Ų121.380%0.80464%0.643SS**THydrogen-bonded Turntrans80.13.8-178.200000116.1I184I184-G186 PolarHBondContact O-N 2.88Å
187R62.9Low63.6Low201 Ų201123.1 Ų123.176%0.75865%0.653SS**PPolyproline II helixtrans-64.7149.2165.8-72.5177.3170.1140.1-0.9109.7I184 L185I184-R187 VanDerWaalsContact CG2-C 3.48Å; I184-R187 HydrophobicContact CG2-CB 3.74Å; I184-R187 WeakPolarHBondContact CG2-O 3.3Å; I184-R187 VanDerWaalsContact O-CB 3.3Å; I184-R187 WeakPolarHBondContact O-CB 3.26Å; I184-R187 PolarHBondContact O-N 3.46Å; L185-R187 PolarHBondContact O-N 2.9Å
188K65.1Low62.9Low181 Ų181128.6 Ų128.679%0.78767%0.668SS**PPolyproline II helixtrans-67.9140.5169.1-69.7-180178.2179.90107.5F190K188-F190 PolarHBondContact O-N 3.4Å
189S63Low62Low75 Ų75132 Ų13252%0.52468%0.683SS.*PPolyproline II helixtrans-47.7138.1165.738.10000108.1I191S189-I191 PolarHBondContact O-N 2.95Å
190F55.1Low61.3Low206 Ų206130.8 Ų130.890%0.90469%0.692SS**  trans-59.294.4176.5-75.9-86.7000107.9K188 Q192K188-F190 PolarHBondContact O-N 3.4Å; F190-Q192 VanDerWaalsContact C-N 3.3Å; F190-Q192 PolarHBondContact O-N 3.41Å
191I56.8Low60.8Low121 Ų121130.1 Ų130.162%0.62170%0.698SS**  trans-61.9107.7156.5-59.3172.8000101.9S189 C193S189-I191 PolarHBondContact O-N 2.95Å; I191-C193 PolarHBondContact O-N 3.11Å
192Q50Low60.5Low175 Ų175126.7 Ų126.782%0.81869%0.687SS**  trans-34.7127.1165.2178.6173.7-4.800107.4F190 G194F190-Q192 VanDerWaalsContact C-N 3.3Å; F190-Q192 PolarHBondContact O-N 3.41Å; Q192-G194 PolarHBondContact O-N 3.08Å
193C45.2Very low60.1Low130 Ų130126.5 Ų126.588%0.87869%0.692SS**SBendtrans-62.369.5-179.5-62.60000110.7I191I191-C193 PolarHBondContact O-N 3.11Å
194G39.7Very low59.7Low59 Ų59132.2 Ų132.261%0.60870%0.701SS**  trans-105.971.9167.500000105.9Q192Q192-G194 PolarHBondContact O-N 3.08Å
195N47.8Very low59.2Low126 Ų126137.5 Ų137.567%0.67472%0.722SS**  trans-170.2131.8-179.7-93.7-15.2000107.3
196I53.4Low58.7Low127 Ų127138.9 Ų138.965%0.65173%0.725SS**SBendcis-158.50.812.4-94.1145.4000113.3
197D57.8Low58.3Low139 Ų139143.1 Ų143.174%0.74372%0.723SS**SBendtrans-111-21.5-164.1-63.8-22.7000117.9
198Y59.8Low58.1Low211 Ų211142.2 Ų142.283%0.82773%0.728SS**SBendtrans-117.3-11.1-166.9-69.5-80.9000116.3
199F57.1Low57.5Low196 Ų196136.8 Ų136.886%0.8672%0.723SS**SBendtrans-123.4126.2176.7-65-80.7000108.3
200G62.3Low57Low65 Ų65140.3 Ų140.367%0.6773%0.734SS**  trans-59.1167178.200000112.4
201P62.4Low56.9Low96 Ų96138.1 Ų138.162%0.62373%0.73SS**SBendtrans-53.8144.9174.824.6-33.5000110.5P203P201-P203 WeakPolarHBondContact O-CD 3.47Å
202D66.6Low57Low72 Ų72141.1 Ų141.139%0.38574%0.739SS.*  trans-49112.5176.3-178.9-5000109.9Y204 K205D202-Y204 PolarHBondContact O-N 2.94Å; D202-Y204 PolarHBondContact OD1-N 3.4Å; D202-Y204 VanDerWaalsContact OD1-N 3.11Å; D202-K205 HydrophobicContact CB-CB 4.28Å; D202-K205 HydrophobicContact CB-CD 4.41Å; D202-K205 HydrophobicContact CB-CG 4.39Å; D202-K205 PolarHBondContact O-N 2.84Å; D202-K205 VanDerWaalsContact O-N 3.07Å; D202-K205 WeakPolarHBondContact OD2-CD 3.43Å; D202-K205 WeakPolarHBondContact OD2-CE 3.44Å; D202-K205 WeakPolarHBondContact OD2-CG 3.44Å
203P66.3Low57.5Low114 Ų114143.3 Ų143.374%0.7474%0.74SS**THydrogen-bonded Turntrans-65.5-11.7-173.826.6-34000112.8P201P201-P203 WeakPolarHBondContact O-CD 3.47Å
204Y68.5Low58.4Low213 Ų213143 Ų14384%0.83574%0.736SS**THydrogen-bonded Turntrans-97-5179-56.6-73.8000113.7D202D202-Y204 PolarHBondContact O-N 2.94Å; D202-Y204 PolarHBondContact OD1-N 3.4Å; D202-Y204 VanDerWaalsContact OD1-N 3.11Å
205K63.4Low59.5Low150 Ų150148.3 Ų148.365%0.65275%0.75SS**SBendtrans-109.4108.3176.4-71.8-177.2-176.5178.30110.5D202 Q207D202-K205 HydrophobicContact CB-CB 4.28Å; D202-K205 HydrophobicContact CB-CD 4.41Å; D202-K205 HydrophobicContact CB-CG 4.39Å; D202-K205 PolarHBondContact O-N 2.84Å; D202-K205 VanDerWaalsContact O-N 3.07Å; D202-K205 WeakPolarHBondContact OD2-CD 3.43Å; D202-K205 WeakPolarHBondContact OD2-CE 3.44Å; D202-K205 WeakPolarHBondContact OD2-CG 3.44Å; K205-Q207 PolarHBondContact O-N 3.09Å
206Q63.2Low60.3Low182 Ų182151.4 Ų151.485%0.8576%0.757SS**  trans-62.997.7166.2-75.2-179.6-16.700109.2Q208Q206-Q208 PolarHBondContact O-N 3.24Å
207Q58.6Low60.7Low166 Ų166151.2 Ų151.278%0.77676%0.764SS**  trans-69.696.9170.1-81.1-175-19.400109.1K205 G209K205-Q207 PolarHBondContact O-N 3.09Å; Q207-G209 PolarHBondContact O-N 3.01Å
208Q58Low60.8Low183 Ų183148.8 Ų148.886%0.85576%0.763SS**  trans-65.3112.6166.8-68.6178.60.200109.1Q206Q206-Q208 PolarHBondContact O-N 3.24Å
209G52.7Low60.9Low66 Ų66145.2 Ų145.268%0.6876%0.763SS**  trans81.166148.700000118.3Q207Q207-G209 PolarHBondContact O-N 3.01Å
210I51.8Low61.1Low149 Ų149142.8 Ų142.876%0.76476%0.758SS**  trans-138.285.1143.1-50.9176.5000108.5K212I210-K212 VanDerWaalsContact C-N 3.3Å; I210-K212 HydrophobicContact CG2-CG 4.06Å; I210-K212 PolarHBondContact O-N 3.32Å
211I54.5Low61.2Low161 Ų161148 Ų14883%0.82677%0.765SS**  trans-67.595.3164.2-58.7170.7000106.2R213I211-R213 PolarHBondContact O-N 2.68Å
212K57.7Low61.3Low184 Ų184149.2 Ų149.280%0.877%0.771SS**  trans-66.3104.8167.6-71-174.2-179.8178.60106.9I210I210-K212 VanDerWaalsContact C-N 3.3Å; I210-K212 HydrophobicContact CG2-CG 4.06Å; I210-K212 PolarHBondContact O-N 3.32Å
213R60.8Low61.1Low221 Ų221154.6 Ų154.683%0.83479%0.791SS**PPolyproline II helixtrans-49.5135.4170.8-72.7178.1174.8173.6-2.3108.7I211 L215I211-R213 PolarHBondContact O-N 2.68Å; R213-L215 PolarHBondContact O-N 3.31Å
214P63.3Low61.1Low123 Ų123160.7 Ų160.780%0.79980%0.799SS**PPolyproline II helixtrans-58.4125.3175.623.3-31.2000109K216P214-K216 PolarHBondContact O-N 3.18Å
215L63.1Low60.9Low171 Ų171157.5 Ų157.590%0.89580%0.795SS**PPolyproline II helixtrans-59.2123.5172.1-77.5149.8000107.7R213R213-L215 PolarHBondContact O-N 3.31Å
216K64.2Low61.3Low191 Ų191156.4 Ų156.483%0.8380%0.801SS**PPolyproline II helixtrans-54.2137.7171.2-70.8-179.7178.4-179.30108.4P214 A218P214-K216 PolarHBondContact O-N 3.18Å; K216-A218 PolarHBondContact O-N 3.09Å
217P61.7Low61.7Low122 Ų122154.4 Ų154.479%0.79280%0.795SS**PPolyproline II helixtrans-58.1117.7176.823.6-31.7000108.4T219P217-T219 PolarHBondContact O-N 3.18Å
218A61.2Low62.5Low89 Ų89152.8 Ų152.874%0.73680%0.799SS**PPolyproline II helixtrans-63.2122.7172.700000107.8K216 I220K216-A218 PolarHBondContact O-N 3.09Å; A218-I220 PolarHBondContact O-N 2.76Å
219T60.7Low63.3Low135 Ų135151.5 Ų151.583%0.82879%0.79SS**  trans-59.7103.8171.8-36.10000107.6P217 Q221P217-T219 PolarHBondContact O-N 3.18Å; T219-Q221 PolarHBondContact O-N 3.1Å
220I62.4Low64.2Low146 Ų146159.5 Ų159.575%0.74980%0.8SS**  trans-66.2100.9176.5-61169.3000106.3A218 T222A218-I220 PolarHBondContact O-N 2.76Å; I220-T222 PolarHBondContact O-N 2.68Å
221Q64.6Low65.4Low173 Ų173156.5 Ų156.581%0.80879%0.79SS**  trans-64.9105.5165-69.8-170.3-0.100106.9T219 K223T219-Q221 PolarHBondContact O-N 3.1Å; Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 3.5Å
222T64Low66.6Low123 Ų123154.3 Ų154.376%0.75579%0.789SS**  trans-66.289.7173.344.80000108.1I220 R224I220-T222 PolarHBondContact O-N 2.68Å; T222-R224 PolarHBondContact O-N 3.24Å; T222-R224 VanDerWaalsContact O-N 3.08Å
223K62.3Low67.3Low184 Ų184150.9 Ų150.980%0.878%0.78SS**  trans-55.2119.9164.5-77.3-173.9177.6-177.80106.4Q221 I225Q221-K223 VanDerWaalsContact C-N 3.27Å; Q221-K223 PolarHBondContact O-N 3.5Å; K223-I225 VanDerWaalsContact C-N 3.34Å; K223-I225 PolarHBondContact O-N 3.49Å
224R66Low68Low243 Ų243146.1 Ų146.192%0.91778%0.777SS**  trans-57.9101.2170.8-72.6-177.2176.5174.7-1.1106.9T222 T226T222-R224 PolarHBondContact O-N 3.24Å; T222-R224 VanDerWaalsContact O-N 3.08Å; R224-T226 PolarHBondContact O-N 2.91Å
225I65.9Low68.3Low146 Ų146143.8 Ų143.875%0.74978%0.776SS**  trans-67.1105.1173.2-59.6172.7000105.2K223 I227K223-I225 VanDerWaalsContact C-N 3.34Å; K223-I225 PolarHBondContact O-N 3.49Å; I225-I227 PolarHBondContact O-N 3.18Å
226T71.7Confident68.4Low127 Ų127143.3 Ų143.378%0.77977%0.766SS**  trans-63.3105.8163.943.10000106.7R224 P228R224-T226 PolarHBondContact O-N 2.91Å; T226-P228 VanDerWaalsContact O-CD 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.26Å; T226-P228 VanDerWaalsContact O-N 3.12Å
227I70.4Confident68.4Low140 Ų140142 Ų14272%0.71876%0.763SS**  trans-61.2112.5178.4-56.4166.6000106.7I225 F229I225-I227 PolarHBondContact O-N 3.18Å; I227-F229 WeakPolarHBondContact CG2-O 3.48Å; I227-F229 PolarHBondContact O-N 3.21Å
228P75.2Confident68.3Low132 Ų132142.7 Ų142.786%0.85777%0.768SS**SBendtrans-71.7-15-17127.9-34.6000113.1T226T226-P228 VanDerWaalsContact O-CD 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.26Å; T226-P228 VanDerWaalsContact O-N 3.12Å
229F75.7Confident68.2Low155 Ų155142.3 Ų142.368%0.6877%0.772SS**  trans-132.6113.1-174.7-166.5-99.3000110.2I227 P231I227-F229 WeakPolarHBondContact CG2-O 3.48Å; I227-F229 PolarHBondContact O-N 3.21Å; F229-P231 HydrophobicContact CE1-CB 4.45Å
230R71.7Confident67.9Low235 Ų235137.7 Ų137.789%0.88775%0.752SS**  trans-93.3113.6167.3-166.5176.8-171.81771.7106.5S232R230-S232 PolarHBondContact O-N 3.38Å
231P76.4Confident67.5Low85 Ų85140.5 Ų140.555%0.55275%0.754SS**  trans-57.7143.1177.324.3-32.4000109.4F229 N233F229-P231 HydrophobicContact CE1-CB 4.45Å; P231-N233 PolarHBondContact O-N 3.38Å
232S79.1Confident67.2Low116 Ų116141 Ų14181%0.81175%0.754SS**SBendtrans-64.1-11.7-175.250.30000114.2R230R230-S232 PolarHBondContact O-N 3.38Å
233N72.3Confident66.8Low112 Ų112139 Ų13960%0.59975%0.749SS**SBendtrans-127.8139-170-41.8-3.8000109P231P231-N233 PolarHBondContact O-N 3.38Å
234P76.1Confident66.4Low121 Ų121133.1 Ų133.179%0.78674%0.741SS**PPolyproline II helixtrans-58.4145.3171.325.9-32.9000110.4K236P234-K236 PolarHBondContact O-N 2.93Å
235G70.2Confident66Low74 Ų74127 Ų12776%0.76373%0.731SS**PPolyproline II helixtrans-58.8136.4175.700000110.6
236K65.8Low65.6Low161 Ų161128.9 Ų128.970%0.773%0.734SS**PPolyproline II helixtrans-58.9137.8176.6-66.5-177.8175.4-176.60110.1P234 Y241P234-K236 PolarHBondContact O-N 2.93Å; K236-Y241 PolarHBondContact NZ-O 3Å
237E63.3Low65.2Low164 Ų164130.2 Ų130.277%0.76674%0.736SS**PPolyproline II helixtrans-56.4145.7175.7-68.3-170.3159.300111.4G239 G240E237-G239 PolarHBondContact O-N 3.06Å; E237-G240 PolarHBondContact O-N 3.19Å
238P59.6Low65.2Low136 Ų136129.2 Ų129.288%0.88374%0.739SS**THydrogen-bonded Turntrans-66.182.3174.729.3-33.9000109.8
239G58.4Low64.9Low80 Ų80131.6 Ų131.683%0.82574%0.736SS**THydrogen-bonded Turntrans161-21.6-175.200000114E237E237-G239 PolarHBondContact O-N 3.06Å
240G54.6Low64.9Low39 Ų39128.8 Ų128.840%0.40273%0.734SS.*SBendtrans-84.5137.6174.100000112.7E237 K242E237-G240 PolarHBondContact O-N 3.19Å; G240-K242 PolarHBondContact O-N 3.17Å
241Y54.3Low65.3Low205 Ų205124.8 Ų124.880%0.80473%0.73SS**  trans-32.5104.7178.3-95.1-112.2000113K236 A243K236-Y241 PolarHBondContact NZ-O 3Å; Y241-A243 HydrophobicContact CD1-CB 3.71Å; Y241-A243 PolarHBondContact O-N 3.01Å; Y241-A243 VanDerWaalsContact O-N 3.12Å
242K57.6Low65.4Low184 Ų184131.2 Ų131.280%0.874%0.744SS**  trans-74.216.2169.5-68.3-165.1176.4-171.60112.8G240 G244G240-K242 PolarHBondContact O-N 3.17Å; K242-G244 PolarHBondContact O-N 3.4Å
243A56.5Low65.5Low79 Ų79131.2 Ų131.265%0.65373%0.734SS**  trans-77.437.4-164.600000115.1Y241Y241-A243 HydrophobicContact CD1-CB 3.71Å; Y241-A243 PolarHBondContact O-N 3.01Å; Y241-A243 VanDerWaalsContact O-N 3.12Å
244G54.1Low66.1Low62 Ų62131.6 Ų131.664%0.63975%0.745SS**SBendtrans-113.40.3-169.700000117.4K242K242-G244 PolarHBondContact O-N 3.4Å
245T56.3Low66.3Low113 Ų113132.7 Ų132.769%0.69374%0.74SS**SBendtrans-141.7-2.1-171.944.50000116.2
246F58.4Low66.8Low187 Ų187134.3 Ų134.382%0.8274%0.737SS**  trans-138.3124.6172.4-63.6-75.3000108.6
247N62.6Low67.4Low154 Ų154135.7 Ų135.782%0.82474%0.739SS**PPolyproline II helixtrans-55.2143.7165.3-68.6-18.6000108.1F249N247-F249 PolarHBondContact O-N 3.42Å
248P70.6Confident68Low119 Ų119132.1 Ų132.177%0.77373%0.725SS**PPolyproline II helixtrans-49.6139.5170.921-30.9000109.3
249F68.4Low68.7Low183 Ų183127.6 Ų127.680%0.80369%0.693SS**PPolyproline II helixtrans-53.2131.5177.8-162.7-92.2000108.2N247N247-F249 PolarHBondContact O-N 3.42Å
250P75.8Confident69.2Low96 Ų96127.1 Ų127.162%0.62368%0.676SS**PPolyproline II helixtrans-57.9143.8-178.522.1-31.3000110.1Y252P250-Y252 PolarHBondContact O-N 2.91Å
251N81.2Confident69.7Low151 Ų151133.6 Ų133.681%0.80769%0.689SS**PPolyproline II helixtrans-53138.6174.1-74-19.5000109.6I253N251-I253 PolarHBondContact O-N 3.31Å
252Y78.7Confident70.1Confident219 Ų219131.2 Ų131.286%0.85968%0.683SS**PPolyproline II helixtrans-62.2120.2179.6-163-89.3000109.4P250P250-Y252 PolarHBondContact O-N 2.91Å
253I81.2Confident70.2Confident117 Ų117130.2 Ų130.260%0.667%0.674SS**PPolyproline II helixtrans-103.8130.6174.5-57.4167000106.4N251 E255N251-I253 PolarHBondContact O-N 3.31Å; I253-E255 HydrophobicContact CG2-CB 3.9Å; I253-E255 HydrophobicContact CG2-CG 3.9Å; I253-E255 PolarHBondContact O-N 3.33Å
254S84Confident70.2Confident119 Ų119132.6 Ų132.683%0.83267%0.674SS**  trans-71.4-10.2-178.552.80000113.8
255E81.5Confident70.1Confident144 Ų144137.2 Ų137.267%0.67368%0.679SS**SBendtrans-70.9141.3179-62.3-178.6179.300111.3I253 Y257I253-E255 HydrophobicContact CG2-CB 3.9Å; I253-E255 HydrophobicContact CG2-CG 3.9Å; I253-E255 PolarHBondContact O-N 3.33Å; E255-Y257 PolarHBondContact O-N 3.39Å
256P79Confident69.8Low108 Ų108136 Ų13670%0.70168%0.675SS**PPolyproline II helixtrans-58.5134.8176.324.2-32.6000110.1I258P256-I258 WeakPolarHBondContact O-CG1 3.4Å; P256-I258 PolarHBondContact O-N 2.85Å; P256-I258 VanDerWaalsContact O-N 3.11Å
257Y78.5Confident69.6Low190 Ų190134.3 Ų134.375%0.74567%0.67SS**PPolyproline II helixtrans-59.1116.8175.6173.5-100.7000110.2E255 D259E255-Y257 PolarHBondContact O-N 3.39Å; Y257-D259 HydrophobicContact CE1-CB 3.85Å
258I76.6Confident69.3Low89 Ų89139.2 Ų139.246%0.45668%0.677SS.*  trans-103.3106.5174.6-53.8165.6000108.5P256 P260 R263P256-I258 WeakPolarHBondContact O-CG1 3.4Å; P256-I258 PolarHBondContact O-N 2.85Å; P256-I258 VanDerWaalsContact O-N 3.11Å; I258-P260 WeakPolarHBondContact O-CD 3.49Å; I258-R263 HydrophobicContact CG2-CG 3.67Å
259D73.9Confident68.6Low41 Ų41139 Ų13922%0.21967%0.669CS.*  trans-58116.3176-175.9-8.7000110.2Y257 Y261 K262 R263Y257-D259 HydrophobicContact CE1-CB 3.85Å; D259-Y261 PolarHBondContact O-N 2.93Å; D259-Y261 VanDerWaalsContact O-N 3.13Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.41Å; D259-Y261 WeakPolarHBondContact OD1-CD2 3.32Å; D259-Y261 PolarHBondContact OD1-N 2.87Å; D259-K262 HydrophobicContact CB-CB 4.04Å; D259-K262 HydrophobicContact CB-CD 3.97Å; D259-K262 HydrophobicContact CB-CG 3.87Å; D259-K262 PolarHBondContact O-N 3.41Å; D259-R263 PolarHBondContact O-N 2.73Å
260P68.9Low68Low71 Ų71134.5 Ų134.546%0.46167%0.666SS.*Hα-helixtrans-59.7-26.7-178.323.6-32.8000111.9I258 I264I258-P260 WeakPolarHBondContact O-CD 3.49Å; P260-I264 WeakPolarHBondContact O-CD1 3.28Å; P260-I264 WeakPolarHBondContact O-CG1 3.49Å
261Y65.4Low67.3Low174 Ų174140.5 Ų140.568%0.68268%0.682SS**Hα-helixtrans-77.6-21.2177.3-58.1-74.2000112.9D259 H265D259-Y261 PolarHBondContact O-N 2.93Å; D259-Y261 VanDerWaalsContact O-N 3.13Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.41Å; D259-Y261 WeakPolarHBondContact OD1-CD2 3.32Å; D259-Y261 PolarHBondContact OD1-N 2.87Å; Y261-H265 PolarHBondContact O-CE1 2.81Å; Y261-H265 PolarHBondContact O-ND1 3.34Å
262K63.8Low66.5Low156 Ų156138.7 Ų138.768%0.67868%0.676SS**Hα-helixtrans-80.6-27.2174-71.7-175.7-177179.20113.2D259 I264D259-K262 HydrophobicContact CB-CB 4.04Å; D259-K262 HydrophobicContact CB-CD 3.97Å; D259-K262 HydrophobicContact CB-CG 3.87Å; D259-K262 PolarHBondContact O-N 3.41Å; K262-I264 VanDerWaalsContact C-N 3.3Å; K262-I264 PolarHBondContact O-N 3.14Å
263R58.4Low65.9Low162 Ų162136.6 Ų136.661%0.61167%0.672SS**Hα-helixtrans-70.5-23.6175.4-68.2-167.2-164.1-176.54.1113.7I258 D259 H265I258-R263 HydrophobicContact CG2-CG 3.67Å; D259-R263 PolarHBondContact O-N 2.73Å; R263-H265 PolarHBondContact O-N 3.35Å
264I57.5Low65.2Low129 Ų129138 Ų13866%0.66268%0.679SS**THydrogen-bonded Turntrans-77.7-11.4-175.1-61.8166.1000111.9P260 K262P260-I264 WeakPolarHBondContact O-CD1 3.28Å; P260-I264 WeakPolarHBondContact O-CG1 3.49Å; K262-I264 VanDerWaalsContact C-N 3.3Å; K262-I264 PolarHBondContact O-N 3.14Å
265H51.8Low64.4Low159 Ų159136.1 Ų136.174%0.73666%0.664SS**SBendtrans-104.550.6-176.1-62.479.6000112.6Y261 R263Y261-H265 PolarHBondContact O-CE1 2.81Å; Y261-H265 PolarHBondContact O-ND1 3.34Å; R263-H265 PolarHBondContact O-N 3.35Å
266S49.7Very low63.9Low88 Ų88133 Ų13362%0.61566%0.658SS**  trans-146.247.5174.186.80000115
267H55.2Low63Low152 Ų152134.3 Ų134.370%0.70467%0.669SS**  trans-137.3106148.7-88.2-81.5000107.4D269H267-D269 WeakPolarHBondContact CB-OD2 3.45Å; H267-D269 IonicContact CG-OD1 3.91Å; H267-D269 IonicContact CG-OD2 3.99Å; H267-D269 IonicContact ND1-OD1 3.55Å; H267-D269 PolarHBondContact O-N 2.82Å
268R54.4Low62.5Low257 Ų257127.2 Ų127.297%0.9766%0.655SS**  trans-71.255.2163.7-69.4-176.8179.9169.70.7108.3A270R268-A270 PolarHBondContact O-N 3.36Å
269D56.2Low61.9Low115 Ų115129.4 Ų129.462%0.61568%0.675SS**  trans-66.2119.8172-68.1-16.9000105.9H267 K271H267-D269 WeakPolarHBondContact CB-OD2 3.45Å; H267-D269 IonicContact CG-OD1 3.91Å; H267-D269 IonicContact CG-OD2 3.99Å; H267-D269 IonicContact ND1-OD1 3.55Å; H267-D269 PolarHBondContact O-N 2.82Å; D269-K271 PolarHBondContact O-N 3.08Å
270A56.3Low61.3Low88 Ų88132.6 Ų132.673%0.72769%0.686SS**  trans-40.3127.3-170.200000111.6R268 V272R268-A270 PolarHBondContact O-N 3.36Å; A270-V272 VanDerWaalsContact C-N 3.29Å; A270-V272 VanDerWaalsContact O-CG2 3.28Å; A270-V272 WeakPolarHBondContact O-CG2 3.33Å; A270-V272 PolarHBondContact O-N 2.97Å
271K61.6Low61.1Low221 Ų221135.8 Ų135.896%0.96171%0.71SS**  trans-14.582.5172.8-71.9176.2176.9176.70112.9D269 F273D269-K271 PolarHBondContact O-N 3.08Å; K271-F273 PolarHBondContact O-N 3.1Å
272V63.4Low61.1Low113 Ų113130.6 Ų130.669%0.68570%0.704SS**  trans-73.7123.6176.7179.90000105.2A270 I274A270-V272 VanDerWaalsContact C-N 3.29Å; A270-V272 VanDerWaalsContact O-CG2 3.28Å; A270-V272 WeakPolarHBondContact O-CG2 3.33Å; A270-V272 PolarHBondContact O-N 2.97Å; V272-I274 PolarHBondContact O-N 3.19Å; V272-I274 VanDerWaalsContact O-N 3.09Å
273F66Low61.3Low176 Ų176135.1 Ų135.177%0.77272%0.716SS**  trans-60.4114.1173.7170.2-98.8000108.9K271 P275K271-F273 PolarHBondContact O-N 3.1Å; F273-P275 HydrophobicContact CE1-CB 3.97Å; F273-P275 HydrophobicContact CZ-CB 4.38Å
274I67Low61.9Low146 Ų146133.3 Ų133.375%0.74971%0.713SS**  trans-99112.1173.7-55.9175.5000107V272V272-I274 PolarHBondContact O-N 3.19Å; V272-I274 VanDerWaalsContact O-N 3.09Å
275P68.1Low62.8Low80 Ų80132.4 Ų132.452%0.51971%0.709SS.*  trans-63.8150.9175.727.2-32.9000110.2F273 S277F273-P275 HydrophobicContact CE1-CB 3.97Å; F273-P275 HydrophobicContact CZ-CB 4.38Å; P275-S277 PolarHBondContact O-N 3.16Å; P275-S277 VanDerWaalsContact O-N 3.11Å
276S69.5Low64.3Low78 Ų78127.6 Ų127.655%0.54569%0.694SS.*  trans-52.3119.5177.461.30000110.8G278 K280S276-G278 VanDerWaalsContact C-N 3.32Å; S276-G278 PolarHBondContact O-N 3.47Å; S276-K280 VanDerWaalsContact OG-CE 3.26Å; S276-K280 WeakPolarHBondContact OG-CE 3.49Å
277S61.4Low65.8Low135 Ų135129.8 Ų129.894%0.94470%0.697SS**SBendtrans-67.988.8172.3175.60000109.4P275P275-S277 PolarHBondContact O-N 3.16Å; P275-S277 VanDerWaalsContact O-N 3.11Å
278G68.1Low67.1Low42 Ų42127.5 Ų127.543%0.43369%0.69SS.*SBendtrans-174.2140.9175.600000110.4S276 K280S276-G278 VanDerWaalsContact C-N 3.32Å; S276-G278 PolarHBondContact O-N 3.47Å; G278-K280 PolarHBondContact O-N 3.47Å
279P62.5Low68.6Low135 Ų135118.1 Ų118.188%0.87766%0.661SS**  trans-64.1106.8173.128.1-31.5000107.3S281P279-S281 PolarHBondContact O-N 2.66Å
280K61.3Low70Confident108 Ų108121.6 Ų121.647%0.4767%0.666SS.*  trans-66.8131.1172.3-67.8-178.2174.4-163.40107S276 G278 A282 F284S276-K280 VanDerWaalsContact OG-CE 3.26Å; S276-K280 WeakPolarHBondContact OG-CE 3.49Å; G278-K280 PolarHBondContact O-N 3.47Å; K280-A282 PolarHBondContact O-N 2.98Å; K280-F284 HydrophobicContact CB-CD1 4.21Å; K280-F284 HydrophobicContact CB-CE1 3.73Å; K280-F284 HydrophobicContact CD-CD1 3.82Å; K280-F284 HydrophobicContact CD-CE1 2.89Å; K280-F284 HydrophobicContact CD-CE2 4.18Å; K280-F284 HydrophobicContact CD-CZ 3.11Å; K280-F284 HydrophobicContact CG-CE1 3.92Å; K280-F284 HydrophobicContact CG-CZ 4.47Å; K280-F284 VanDerWaalsContact NZ-CE2 3.29Å
281S66.4Low71.5Confident138 Ų138118.6 Ų118.697%0.96564%0.637SS**SBendtrans-60.4-14.7-168.864.90000114.5P279P279-S281 PolarHBondContact O-N 2.66Å
282A65.5Low72.7Confident65 Ų65110.8 Ų110.854%0.53761%0.608SS.*SBendtrans-146157169.800000109.9K280 F284K280-A282 PolarHBondContact O-N 2.98Å; A282-F284 WeakPolarHBondContact O-CD1 3.35Å; A282-F284 PolarHBondContact O-N 3.08Å
283R67.9Low73.9Confident251 Ų251110.8 Ų110.895%0.94760%0.604SS**  trans-67.3124.8165.9-62.9-170.1-175.8-166.72.4108.1
284F70.3Confident74.9Confident124 Ų124110.4 Ų110.454%0.54460%0.602SS.*  trans-121.1129.8173.556.4-71.4000106.7K280 A282K280-F284 HydrophobicContact CB-CD1 4.21Å; K280-F284 HydrophobicContact CB-CE1 3.73Å; K280-F284 HydrophobicContact CD-CD1 3.82Å; K280-F284 HydrophobicContact CD-CE1 2.89Å; K280-F284 HydrophobicContact CD-CE2 4.18Å; K280-F284 HydrophobicContact CD-CZ 3.11Å; K280-F284 HydrophobicContact CG-CE1 3.92Å; K280-F284 HydrophobicContact CG-CZ 4.47Å; K280-F284 VanDerWaalsContact NZ-CE2 3.29Å; A282-F284 WeakPolarHBondContact O-CD1 3.35Å; A282-F284 PolarHBondContact O-N 3.08Å
285D77.1Confident75.8Confident109 Ų109106.1 Ų106.158%0.58358%0.583SS**  trans-74.2156.1172.7-63.7-33000110T289D285-T289 HydrophobicContact CB-CG2 4.31Å
286S82.7Confident76.8Confident58 Ų58105.2 Ų105.241%0.40657%0.573SS.*  trans-61.8151.9172.884.90000110.2L288 T289 R290S286-L288 PolarHBondContact O-N 2.63Å; S286-L288 PolarHBondContact OG-N 3.08Å; S286-T289 WeakPolarHBondContact O-CB 3.5Å; S286-T289 PolarHBondContact O-N 3.42Å; S286-T289 PolarHBondContact OG-N 2.97Å; S286-T289 VanDerWaalsContact OG-N 3.1Å; S286-T289 PolarHBondContact OG-OG1 3.09Å; S286-R290 PolarHBondContact O-N 3.03Å
287I81.5Confident77.8Confident134 Ų134105.4 Ų105.469%0.68757%0.568SS**Hα-helixtrans-55.3-37.5177-64.6169.2000110.5R290 N291I287-R290 PolarHBondContact O-N 3.08Å; I287-N291 WeakPolarHBondContact O-CB 3.49Å; I287-N291 VanDerWaalsContact O-CG 3.25Å; I287-N291 PolarHBondContact O-N 3.19Å
288L82.2Confident79.2Confident105 Ų105104.3 Ų104.355%0.5556%0.56SS.*Hα-helixtrans-60.8-50.6175.6-67.8171.7000111.6S286 R290 N291 V292 I308S286-L288 PolarHBondContact O-N 2.63Å; S286-L288 PolarHBondContact OG-N 3.08Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 3.33Å; L288-N291 PolarHBondContact O-N 3.37Å; L288-V292 WeakPolarHBondContact O-CG2 3.35Å; L288-V292 PolarHBondContact O-N 3.04Å; L288-I308 HydrophobicContact CD2-CG1 4.26Å
289T85.9Confident80.2Confident60 Ų60107 Ų10737%0.36857%0.572SS.*Hα-helixtrans-60-41.9178.6-41.30000111.1D285 S286 N291 V292 N293D285-T289 HydrophobicContact CB-CG2 4.31Å; S286-T289 WeakPolarHBondContact O-CB 3.5Å; S286-T289 PolarHBondContact O-N 3.42Å; S286-T289 PolarHBondContact OG-N 2.97Å; S286-T289 VanDerWaalsContact OG-N 3.1Å; S286-T289 PolarHBondContact OG-OG1 3.09Å; T289-N291 PolarHBondContact O-N 3.2Å; T289-V292 PolarHBondContact O-N 3.24Å; T289-N293 WeakPolarHBondContact O-CB 3.48Å; T289-N293 VanDerWaalsContact O-CG 3.31Å; T289-N293 PolarHBondContact O-N 3.49Å
290R86Confident81.5Confident188 Ų188102.2 Ų102.271%0.70954%0.54SS*.Hα-helixtrans-65.3-38.4177.7-168.8174.9-176.5161.21.5112.2S286 I287 L288 K294S286-R290 PolarHBondContact O-N 3.03Å; I287-R290 PolarHBondContact O-N 3.08Å; L288-R290 VanDerWaalsContact C-N 3.29Å; L288-R290 PolarHBondContact O-N 3.33Å; R290-K294 WeakPolarHBondContact O-CB 3.18Å; R290-K294 PolarHBondContact O-N 3.43Å
291N86.6Confident82.8Confident24 Ų24102.8 Ų102.813%0.12854%0.542CS..Hα-helixtrans-67.7-46.8176.2-73.4-13.8000111I287 L288 T289 N293 K294 T295 V307 Y309I287-N291 WeakPolarHBondContact O-CB 3.49Å; I287-N291 VanDerWaalsContact O-CG 3.25Å; I287-N291 PolarHBondContact O-N 3.19Å; L288-N291 PolarHBondContact O-N 3.37Å; T289-N291 PolarHBondContact O-N 3.2Å; N291-N293 PolarHBondContact O-N 2.84Å; N291-K294 WeakPolarHBondContact O-CA 3.46Å; N291-K294 WeakPolarHBondContact O-CB 3.44Å; N291-K294 PolarHBondContact O-N 3.12Å; N291-T295 PolarHBondContact O-N 3.44Å; N291-T295 PolarHBondContact O-OG1 2.76Å; N291-V307 HydrophobicContact CB-CG1 3.75Å; N291-Y309 VanDerWaalsContact ND2-CE2 3.33Å; N291-Y309 WeakPolarHBondContact ND2-CE2 3.36Å
292V87.8Confident83.9Confident58 Ų58102.5 Ų102.535%0.35253%0.53SS..Hα-helixtrans-54.2-51175.9169.40000111.3L288 T289 K294 T295 I296 V307L288-V292 WeakPolarHBondContact O-CG2 3.35Å; L288-V292 PolarHBondContact O-N 3.04Å; T289-V292 PolarHBondContact O-N 3.24Å; V292-K294 PolarHBondContact O-N 3.04Å; V292-T295 PolarHBondContact O-N 3.15Å; V292-I296 HydrophobicContact CG1-CD1 4.05Å; V292-I296 HydrophobicContact CG1-CG1 4.42Å; V292-I296 WeakPolarHBondContact O-CB 3.45Å; V292-I296 PolarHBondContact O-N 3.18Å; V292-V307 HydrophobicContact CG2-CB 4.32Å; V292-V307 HydrophobicContact CG2-CG1 3.92Å
293N87.4Confident85Confident113 Ų113104.5 Ų104.560%0.60454%0.535SS*.Hα-helixtrans-65.5-20.4179.7-69.1-13000113.5T289 N291T289-N293 WeakPolarHBondContact O-CB 3.48Å; T289-N293 VanDerWaalsContact O-CG 3.31Å; T289-N293 PolarHBondContact O-N 3.49Å; N291-N293 PolarHBondContact O-N 2.84Å
294K87.5Confident85.8Confident168 Ų16894.8 Ų94.873%0.7350%0.504SS*.Hα-helixtrans-90.1-37.4179.1-168.8-179.4179-171.50112.2R290 N291 V292R290-K294 WeakPolarHBondContact O-CB 3.18Å; R290-K294 PolarHBondContact O-N 3.43Å; N291-K294 WeakPolarHBondContact O-CA 3.46Å; N291-K294 WeakPolarHBondContact O-CB 3.44Å; N291-K294 PolarHBondContact O-N 3.12Å; V292-K294 PolarHBondContact O-N 3.04Å
295T86.6Confident86.3Confident55 Ų5598.9 Ų98.934%0.33752%0.522SS..Hα-helixtrans-92.6-33.4-174.755.30000112.9N291 V292 N300 V307N291-T295 PolarHBondContact O-N 3.44Å; N291-T295 PolarHBondContact O-OG1 2.76Å; V292-T295 PolarHBondContact O-N 3.15Å; T295-N300 PolarHBondContact O-ND2 3.25Å; T295-V307 HydrophobicContact CG2-CG1 4.31Å; T295-V307 WeakPolarHBondContact OG1-CG1 2.9Å; T295-V307 WeakPolarHBondContact OG1-CG2 3.46Å
296I89.2Confident86.5Confident62 Ų6298.1 Ų98.132%0.31853%0.525SS..  trans-95.6131.1-177.2-54.6-169.2000110.1V292 N300 F301 V307V292-I296 HydrophobicContact CG1-CD1 4.05Å; V292-I296 HydrophobicContact CG1-CG1 4.42Å; V292-I296 WeakPolarHBondContact O-CB 3.45Å; V292-I296 PolarHBondContact O-N 3.18Å; I296-N300 WeakPolarHBondContact CA-OD1 3.36Å; I296-F301 HydrophobicContact CG2-CB 3.78Å; I296-V307 HydrophobicContact CD1-CG2 3.94Å; I296-V307 HydrophobicContact CG1-CG2 4.02Å
297N89.7Confident86.2Confident81 Ų8196.9 Ų96.943%0.43352%0.515SS..  trans-137173.1173.168.227.6000109.8S299 N300 F301N297-S299 VanDerWaalsContact CG-OG 3.3Å; N297-S299 PolarHBondContact ND2-OG 3.27Å; N297-S299 PolarHBondContact O-N 3.46Å; N297-S299 VanDerWaalsContact O-N 3.08Å; N297-S299 WeakPolarHBondContact OD1-CA 3.42Å; N297-S299 PolarHBondContact OD1-N 3.26Å; N297-S299 PolarHBondContact OD1-OG 2.78Å; N297-N300 PolarHBondContact N-OD1 3.43Å; N297-N300 PolarHBondContact O-N 3.16Å; N297-N300 PolarHBondContact O-OD1 3.19Å; N297-N300 VanDerWaalsContact O-OD1 3.1Å; N297-N300 PolarHBondContact OD1-N 2.98Å; N297-N300 PolarHBondContact OD1-OD1 3.2Å; N297-N300 VanDerWaalsContact OD1-OD1 3.08Å; N297-F301 PolarHBondContact O-N 3.34Å; N297-F301 VanDerWaalsContact O-N 3.16Å
298S91.7Very high85.8Confident113 Ų11396.5 Ų96.579%0.7951%0.513SS*.THydrogen-bonded Turntrans-62.5-16.9-177.956.20000114.6F301S298-F301 VanDerWaalsContact O-CD1 3.3Å; S298-F301 WeakPolarHBondContact O-CD1 3.3Å; S298-F301 WeakPolarHBondContact O-CE1 3.46Å
299S89.5Confident84.8Confident98 Ų9899.6 Ų99.669%0.68552%0.518SS*.THydrogen-bonded Turntrans-94.5-15.3179.554.80000114.2N297N297-S299 VanDerWaalsContact CG-OG 3.3Å; N297-S299 PolarHBondContact ND2-OG 3.27Å; N297-S299 PolarHBondContact O-N 3.46Å; N297-S299 VanDerWaalsContact O-N 3.08Å; N297-S299 WeakPolarHBondContact OD1-CA 3.42Å; N297-S299 PolarHBondContact OD1-N 3.26Å; N297-S299 PolarHBondContact OD1-OG 2.78Å
300N89.8Confident82.8Confident35 Ų35105.9 Ų105.919%0.18756%0.564CS.*THydrogen-bonded Turntrans-128.52.5-172.375.14.3000114.5T295 I296 N297 D302 T303 V304T295-N300 PolarHBondContact O-ND2 3.25Å; I296-N300 WeakPolarHBondContact CA-OD1 3.36Å; N297-N300 PolarHBondContact N-OD1 3.43Å; N297-N300 PolarHBondContact O-N 3.16Å; N297-N300 PolarHBondContact O-OD1 3.19Å; N297-N300 VanDerWaalsContact O-OD1 3.1Å; N297-N300 PolarHBondContact OD1-N 2.98Å; N297-N300 PolarHBondContact OD1-OD1 3.2Å; N297-N300 VanDerWaalsContact OD1-OD1 3.08Å; N300-D302 PolarHBondContact O-N 3.26Å; N300-T303 WeakPolarHBondContact CA-OG1 3.5Å; N300-T303 PolarHBondContact O-N 3.13Å; N300-T303 PolarHBondContact O-OG1 2.98Å; N300-T303 VanDerWaalsContact O-OG1 3.09Å; N300-V304 HydrophobicContact CB-CG2 4.12Å; N300-V304 WeakPolarHBondContact O-CG2 3.45Å; N300-V304 PolarHBondContact O-N 2.87Å; N300-V304 VanDerWaalsContact O-N 3.08Å
301F87.7Confident82.6Confident119 Ų119101.8 Ų101.852%0.52256%0.557SS.*THydrogen-bonded Turntrans-58.8-31.4-178.675.8-81000113.1I296 N297 S298I296-F301 HydrophobicContact CG2-CB 3.78Å; N297-F301 PolarHBondContact O-N 3.34Å; N297-F301 VanDerWaalsContact O-N 3.16Å; S298-F301 VanDerWaalsContact O-CD1 3.3Å; S298-F301 WeakPolarHBondContact O-CD1 3.3Å; S298-F301 WeakPolarHBondContact O-CE1 3.46Å
302D89Confident82.4Confident133 Ų133105.8 Ų105.871%0.71158%0.58SS**THydrogen-bonded Turntrans-83.5-18.7177-72.3-29.4000114.1N300N300-D302 PolarHBondContact O-N 3.26Å
303T89.4Confident82.1Confident106 Ų106108.5 Ų108.565%0.6559%0.593SS**THydrogen-bonded Turntrans-98.4-26.1-17557.60000113.1N300 K305N300-T303 WeakPolarHBondContact CA-OG1 3.5Å; N300-T303 PolarHBondContact O-N 3.13Å; N300-T303 PolarHBondContact O-OG1 2.98Å; N300-T303 VanDerWaalsContact O-OG1 3.09Å; T303-K305 PolarHBondContact O-N 3.39Å
304V84.4Confident81.8Confident48 Ų48108.2 Ų108.229%0.29159%0.592SS.*  trans-81.1107.8-176.8176.90000110.9N300 V307N300-V304 HydrophobicContact CB-CG2 4.12Å; N300-V304 WeakPolarHBondContact O-CG2 3.45Å; N300-V304 PolarHBondContact O-N 2.87Å; N300-V304 VanDerWaalsContact O-N 3.08Å; V304-V307 HydrophobicContact CG1-CG2 3.85Å
305K81.5Confident81.4Confident210 Ų210104.5 Ų104.591%0.91358%0.583SS**  trans-80.3-26.2-179.6-68.6-176.2178.2179.60114.9T303T303-K305 PolarHBondContact O-N 3.39Å
306S81.5Confident81.1Confident93 Ų93107.8 Ų107.865%0.6560%0.6SS**  trans-157.4145.6179.373.20000112.5
307V75.8Confident80.5Confident31 Ų31111.1 Ų111.119%0.18862%0.62CS.*  trans-1182-176178.80000112.2N291 V292 T295 I296 V304N291-V307 HydrophobicContact CB-CG1 3.75Å; V292-V307 HydrophobicContact CG2-CB 4.32Å; V292-V307 HydrophobicContact CG2-CG1 3.92Å; T295-V307 HydrophobicContact CG2-CG1 4.31Å; T295-V307 WeakPolarHBondContact OG1-CG1 2.9Å; T295-V307 WeakPolarHBondContact OG1-CG2 3.46Å; I296-V307 HydrophobicContact CD1-CG2 3.94Å; I296-V307 HydrophobicContact CG1-CG2 4.02Å; V304-V307 HydrophobicContact CG1-CG2 3.85Å
308I72.6Confident79.8Confident127 Ų127113.4 Ų113.465%0.65163%0.634SS**SBendtrans-87.9127.9-179.8-56.3175.6000108L288 S310L288-I308 HydrophobicContact CD2-CG1 4.26Å; I308-S310 PolarHBondContact O-N 3.33Å
309Y61.1Low78.8Confident170 Ų170113.4 Ų113.467%0.66762%0.621SS**  trans-62.6125.1173.4-75.8-88.9000110.1N291N291-Y309 VanDerWaalsContact ND2-CE2 3.33Å; N291-Y309 WeakPolarHBondContact ND2-CE2 3.36Å
310S43.6Very low77.9Confident191 Ų191114.8 Ų114.8100%1.33662%0.615SS**  trans-70.80152.7-39.90000110.2I308I308-S310 PolarHBondContact O-N 3.33Å

Retrieved 310 of 310 residues in 64.2 ms (Link to these results)