A0A093J3G5_STRCA Loading...

Glutaredoxin domain-containing cysteine-rich protein 2

AlphaFold DB , UniProt , Accession A0A093J3G5, Species STRCA (Struthio camelus australis), Gene n/a, Length 246 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
1M33.2Very low39.3Very low225 Ų225166.3 Ų166.3100%1.10878%0.78SS**  097.40-50.8-62.7-72.400106.1
2D36.4Very low39.4Very low126 Ų126169.8 Ų169.867%0.67480%0.796SS**  cis-154.9142.99.9-114.5-91.4000107.1
3E40Very low39.6Very low152 Ų152167.8 Ų167.871%0.7179%0.786SS**  trans-56.7157.4161.4-108.9178.199.200110
4H38.7Very low40.2Very low169 Ų169161 Ų16178%0.78278%0.784SS**  -179.7100.4122.9-88.1-59.6000109.5K6H4-K6 PolarHBondContact O-N 3.38Å
5Q45.4Very low41Very low172 Ų172163.7 Ų163.780%0.80478%0.782SS**  trans-48.6127.5152.5-65174.3-8.100109.3
6K42.6Very low41.8Very low185 Ų185160.3 Ų160.380%0.80478%0.777SS**  trans-135.784.6158.8-138.9172.5-172.8178.20110.3H4 L8H4-K6 PolarHBondContact O-N 3.38Å; K6-L8 PolarHBondContact O-N 3.06Å; K6-L8 VanDerWaalsContact O-N 3.11Å
7K46.1Very low43.2Very low187 Ų187160.7 Ų160.781%0.81377%0.769SS**  trans-51.1109.1151.7-74.4-178.1175.7179.40107.6N9K7-N9 PolarHBondContact O-N 3.43Å
8L36Very low44.9Very low146 Ų146159.6 Ų159.676%0.76476%0.76SS**  trans-97.374.3162.3-110.3161.8000108.2K6 Q10K6-L8 PolarHBondContact O-N 3.06Å; K6-L8 VanDerWaalsContact O-N 3.11Å; L8-Q10 PolarHBondContact O-N 3.06Å
9N38.4Very low46.4Very low140 Ų140154.1 Ų154.175%0.74974%0.738SS**  trans-71.1107.2145.6-87.9-73.7000105.9K7K7-N9 PolarHBondContact O-N 3.43Å
10Q37Very low48.1Very low158 Ų158155.7 Ų155.774%0.73874%0.736SS**  trans-168.5127.7146.6-114.2170.515.700113.7L8L8-Q10 PolarHBondContact O-N 3.06Å
11R38.6Very low49.6Very low169 Ų169151.3 Ų151.364%0.63871%0.714SS**  trans7381.4154.7-62.7-168.4-177.8-145.47.5118.1E13R11-E13 IonicContact CZ-OE2 3.59Å; R11-E13 IonicContact NE-OE2 3.88Å; R11-E13 IonicContact NH1-OE1 3.75Å; R11-E13 IonicContact NH1-OE2 2.71Å; R11-E13 PolarHBondContact NH1-OE2 2.71Å; R11-E13 PolarHBondContact O-N 3.44Å
12H40.7Very low52Low208 Ų208146.5 Ų146.596%0.96369%0.687SS**  trans-81.970.6136.4-75.5-171.4000109.2
13E42Very low54.2Low144 Ų144144.8 Ų144.867%0.67368%0.677SS**  trans-94.6134.4152.7-75.4178.9153.700106.1R11R11-E13 IonicContact CZ-OE2 3.59Å; R11-E13 IonicContact NE-OE2 3.88Å; R11-E13 IonicContact NH1-OE1 3.75Å; R11-E13 IonicContact NH1-OE2 2.71Å; R11-E13 PolarHBondContact NH1-OE2 2.71Å; R11-E13 PolarHBondContact O-N 3.44Å
14G47.3Very low56.4Low73 Ų73140 Ų14075%0.75366%0.661SS**  cis-170.199.60.500000107.1
15R52.4Low58.3Low201 Ų201133.6 Ų133.676%0.75864%0.635SS**  trans-102.9115.6160-154.5177.4-166.4-150.94.5106.7R17 D38R15-R17 PolarHBondContact O-N 3.48Å; R15-D38 IonicContact NH1-OD2 3.47Å; R15-D38 PolarHBondContact NH1-OD2 3.35Å
16P53.5Low59.5Low109 Ų109130.8 Ų130.871%0.70864%0.641SS**  trans-61.6109.4173.124.1-30.4000107.2K18P16-K18 PolarHBondContact O-N 3.11Å
17R66.2Low60.7Low168 Ų168133 Ų13363%0.63465%0.646SS**  trans-56.7115.5174.7-65.5-179.7179.5178.5-2.6106.7R15 V19 Y36R15-R17 PolarHBondContact O-N 3.48Å; R17-V19 PolarHBondContact O-N 2.91Å; R17-V19 VanDerWaalsContact O-N 3.13Å; R17-Y36 HydrophobicContact CB-CD1 3.68Å; R17-Y36 HydrophobicContact CB-CE1 3.83Å
18K73.6Confident62.3Low140 Ų140127 Ų12761%0.60963%0.627SS**EExtended strand (participates in β ladder)trans-72.1114.7-176.9-72.2-176.5-178.4177.80107.7P16 R20 Y36 E37P16-K18 PolarHBondContact O-N 3.11Å; K18-R20 PolarHBondContact O-N 2.8Å; K18-Y36 WeakPolarHBondContact O-CA 3.3Å; K18-E37 HydrophobicContact CB-CB 4.41Å; K18-E37 PolarHBondContact O-N 3.47Å
19V73.9Confident64.3Low56 Ų56122.6 Ų122.634%0.33962%0.618SS.*EExtended strand (participates in β ladder)trans-83114173.2178.50000106.5R17 F21 K22 Q34 V35 Y36R17-V19 PolarHBondContact O-N 2.91Å; R17-V19 VanDerWaalsContact O-N 3.13Å; V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 WeakPolarHBondContact CG1-O 3.5Å; V19-K22 HydrophobicContact CG1-CB 3.98Å; V19-Q34 HydrophobicContact CG1-CG 3.72Å; V19-Q34 HydrophobicContact CG2-CG 4.13Å; V19-V35 CarbonylContact C-O 3.56Å; V19-Y36 HydrophobicContact CG2-CD1 3.75Å; V19-Y36 HydrophobicContact CG2-CE1 3.5Å
20R79.9Confident66.2Low186 Ų186124.9 Ų124.970%0.70262%0.616SS**EExtended strand (participates in β ladder)trans-68.7-38.2174.4-174.7172.6170.1-173.8-0.9110.6K18 V35 E37K18-R20 PolarHBondContact O-N 2.8Å; R20-V35 PolarHBondContact N-O 2.99Å; R20-E37 HydrophobicContact CB-CB 4.29Å
21F78.8Confident68.3Low63 Ų63120.4 Ų120.428%0.27660%0.6SS.*EExtended strand (participates in β ladder)trans-149.8142.6171.7106.8-105.9000112.4V19 I23 K33 Q34 V35V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 WeakPolarHBondContact CG1-O 3.5Å; F21-I23 HydrophobicContact CD2-CB 4.43Å; F21-I23 HydrophobicContact CD2-CD1 3.97Å; F21-I23 HydrophobicContact CD2-CG1 3.71Å; F21-I23 HydrophobicContact CE2-CB 3.82Å; F21-I23 HydrophobicContact CE2-CD1 3.29Å; F21-I23 HydrophobicContact CE2-CG1 3.33Å; F21-I23 HydrophobicContact CZ-CD1 3.95Å; F21-I23 HydrophobicContact CZ-CG1 4.41Å; F21-K33 HydrophobicContact CE1-CD 4.11Å; F21-K33 HydrophobicContact CE1-CG 4.02Å; F21-K33 HydrophobicContact CE2-CB 3.91Å; F21-K33 HydrophobicContact CE2-CG 4.14Å; F21-K33 WeakPolarHBondContact CE2-O 3.48Å; F21-K33 HydrophobicContact CZ-CB 3.58Å; F21-K33 HydrophobicContact CZ-CD 3.52Å; F21-K33 HydrophobicContact CZ-CG 3.32Å; F21-Q34 WeakPolarHBondContact O-CA 3.09Å; F21-V35 HydrophobicContact CD1-CB 3.56Å; F21-V35 HydrophobicContact CD1-CG2 3.48Å; F21-V35 VanDerWaalsContact CD1-CG2 3.48Å; F21-V35 HydrophobicContact CE1-CB 3.87Å; F21-V35 HydrophobicContact CE1-CG2 3.21Å; F21-V35 HydrophobicContact CZ-CG2 4.23Å; F21-V35 PolarHBondContact N-O 2.92Å; F21-V35 PolarHBondContact O-N 3.39Å
22K84.5Confident70.3Confident125 Ų125118.2 Ų118.254%0.54360%0.6SS.*EExtended strand (participates in β ladder)trans-129121.1170.1-173.1-178.6177.6-178.50109.6V19 V31V19-K22 HydrophobicContact CG1-CB 3.98Å; K22-V31 HydrophobicContact CG-CG1 4.02Å
23I83.5Confident72.3Confident89 Ų89114.4 Ų114.446%0.45658%0.58SS.*EExtended strand (participates in β ladder)trans-106.6127.5168.9-70.7164.7000108.1F21 L32 K33F21-I23 HydrophobicContact CD2-CB 4.43Å; F21-I23 HydrophobicContact CD2-CD1 3.97Å; F21-I23 HydrophobicContact CD2-CG1 3.71Å; F21-I23 HydrophobicContact CE2-CB 3.82Å; F21-I23 HydrophobicContact CE2-CD1 3.29Å; F21-I23 HydrophobicContact CE2-CG1 3.33Å; F21-I23 HydrophobicContact CZ-CD1 3.95Å; F21-I23 HydrophobicContact CZ-CG1 4.41Å; I23-L32 HydrophobicContact CG2-CB 4.33Å; I23-L32 HydrophobicContact CG2-CD1 4.35Å; I23-L32 PolarHBondContact O-N 2.83Å; I23-K33 PolarHBondContact N-O 3.37Å; I23-K33 PolarHBondContact O-N 3.44Å
24S85.8Confident74.3Confident53 Ų53110.9 Ų110.937%0.37156%0.564SS.*EExtended strand (participates in β ladder)trans-123.6145.3176.6-46.80000109.9A26 R30S24-A26 PolarHBondContact O-N 2.8Å; S24-R30 CarbonylContact C-O 3.57Å; S24-R30 WeakPolarHBondContact CA-O 3.33Å
25S77.2Confident75.9Confident33 Ų33110 Ų11023%0.23154%0.544CS..  trans-65.2125.6171171.90000109.4Y27 S28 G29 R30S25-Y27 PolarHBondContact O-N 3.39Å; S25-Y27 PolarHBondContact OG-N 3.01Å; S25-S28 VanDerWaalsContact CB-OG 3.28Å; S25-S28 WeakPolarHBondContact CB-OG 3.45Å; S25-S28 PolarHBondContact OG-N 2.92Å; S25-S28 PolarHBondContact OG-OG 3.18Å; S25-G29 VanDerWaalsContact O-CA 3.3Å; S25-G29 WeakPolarHBondContact O-CA 3.12Å; S25-G29 PolarHBondContact O-N 3.33Å; S25-R30 PolarHBondContact N-O 3.32Å
26A70.8Confident77.2Confident114 Ų114105.3 Ų105.394%0.94253%0.527SS*.THydrogen-bonded Turntrans-63.6-28.3176.800000112.7S24S24-A26 PolarHBondContact O-N 2.8Å
27Y68.7Low78.1Confident230 Ų230104.9 Ų104.990%0.90252%0.515SS*.THydrogen-bonded Turntrans-82.7-42.2-177-178.3-106.1000113.1S25S25-Y27 PolarHBondContact O-N 3.39Å; S25-Y27 PolarHBondContact OG-N 3.01Å
28S79.4Confident77.6Confident61 Ų61102.2 Ų102.243%0.42751%0.514SS..THydrogen-bonded Turntrans-108.1-9.2-172.763.90000114.3S25 R30S25-S28 VanDerWaalsContact CB-OG 3.28Å; S25-S28 WeakPolarHBondContact CB-OG 3.45Å; S25-S28 PolarHBondContact OG-N 2.92Å; S25-S28 PolarHBondContact OG-OG 3.18Å; S28-R30 PolarHBondContact O-N 2.87Å; S28-R30 WeakPolarHBondContact OG-CB 3.28Å; S28-R30 WeakPolarHBondContact OG-CG 3.35Å; S28-R30 PolarHBondContact OG-N 3.08Å
29G77.3Confident76.8Confident55 Ų55100 Ų10057%0.56753%0.531SS*.  trans66.5-3.1-171.200000114.4S25S25-G29 VanDerWaalsContact O-CA 3.3Å; S25-G29 WeakPolarHBondContact O-CA 3.12Å; S25-G29 PolarHBondContact O-N 3.33Å
30R78.4Confident75.4Confident187 Ų187105 Ų10571%0.70655%0.55SS**  trans-66.5136.2-179-65.5-178.5-174.6-179.22.3110.5S24 S25 S28 L32S24-R30 CarbonylContact C-O 3.57Å; S24-R30 WeakPolarHBondContact CA-O 3.33Å; S25-R30 PolarHBondContact N-O 3.32Å; S28-R30 PolarHBondContact O-N 2.87Å; S28-R30 WeakPolarHBondContact OG-CB 3.28Å; S28-R30 WeakPolarHBondContact OG-CG 3.35Å; S28-R30 PolarHBondContact OG-N 3.08Å; R30-L32 PolarHBondContact O-N 3.4Å
31V80.9Confident74Confident65 Ų65105.6 Ų105.639%0.39456%0.561SS.*EExtended strand (participates in β ladder)trans-76.2117.8177.1-174.20000108.4K22 Q34K22-V31 HydrophobicContact CG-CG1 4.02Å; V31-Q34 HydrophobicContact CG1-CB 4.06Å
32L82.2Confident72.6Confident122 Ų122107.6 Ų107.664%0.63957%0.574SS**EExtended strand (participates in β ladder)trans-88.3-37-179.2-60.2179.2000111.3I23 R30I23-L32 HydrophobicContact CG2-CB 4.33Å; I23-L32 HydrophobicContact CG2-CD1 4.35Å; I23-L32 PolarHBondContact O-N 2.83Å; R30-L32 PolarHBondContact O-N 3.4Å
33K81.6Confident70.9Confident129 Ų129109.3 Ų109.356%0.56158%0.584SS**EExtended strand (participates in β ladder)trans-154.7137.3178.1-164.8168.3160.6-178.50110.8F21 I23F21-K33 HydrophobicContact CE1-CD 4.11Å; F21-K33 HydrophobicContact CE1-CG 4.02Å; F21-K33 HydrophobicContact CE2-CB 3.91Å; F21-K33 HydrophobicContact CE2-CG 4.14Å; F21-K33 WeakPolarHBondContact CE2-O 3.48Å; F21-K33 HydrophobicContact CZ-CB 3.58Å; F21-K33 HydrophobicContact CZ-CD 3.52Å; F21-K33 HydrophobicContact CZ-CG 3.32Å; I23-K33 PolarHBondContact N-O 3.37Å; I23-K33 PolarHBondContact O-N 3.44Å
34Q84.3Confident69.4Low69 Ų69109.3 Ų109.332%0.32259%0.59SS.*EExtended strand (participates in β ladder)trans-139.1125.3-180-170169.9-200108.6V19 F21 V31 Y36V19-Q34 HydrophobicContact CG1-CG 3.72Å; V19-Q34 HydrophobicContact CG2-CG 4.13Å; F21-Q34 WeakPolarHBondContact O-CA 3.09Å; V31-Q34 HydrophobicContact CG1-CB 4.06Å; Q34-Y36 VanDerWaalsContact CD-OH 3.25Å; Q34-Y36 HydrophobicContact CG-CE2 3.99Å; Q34-Y36 VanDerWaalsContact NE2-CZ 3.27Å; Q34-Y36 PolarHBondContact NE2-OH 2.85Å; Q34-Y36 PolarHBondContact OE1-OH 2.88Å
35V79.9Confident67.6Low56 Ų56112.8 Ų112.834%0.33961%0.612SS.*EExtended strand (participates in β ladder)trans-117.7124.7177.3174.20000108.6V19 R20 F21V19-V35 CarbonylContact C-O 3.56Å; R20-V35 PolarHBondContact N-O 2.99Å; F21-V35 HydrophobicContact CD1-CB 3.56Å; F21-V35 HydrophobicContact CD1-CG2 3.48Å; F21-V35 VanDerWaalsContact CD1-CG2 3.48Å; F21-V35 HydrophobicContact CE1-CB 3.87Å; F21-V35 HydrophobicContact CE1-CG2 3.21Å; F21-V35 HydrophobicContact CZ-CG2 4.23Å; F21-V35 PolarHBondContact N-O 2.92Å; F21-V35 PolarHBondContact O-N 3.39Å
36Y81.6Confident66.2Low102 Ų102115.8 Ų115.840%0.464%0.638SS.*EExtended strand (participates in β ladder)trans-93.1140.5178.2-64.7-84.5000110.3R17 K18 V19 Q34R17-Y36 HydrophobicContact CB-CD1 3.68Å; R17-Y36 HydrophobicContact CB-CE1 3.83Å; K18-Y36 WeakPolarHBondContact O-CA 3.3Å; V19-Y36 HydrophobicContact CG2-CD1 3.75Å; V19-Y36 HydrophobicContact CG2-CE1 3.5Å; Q34-Y36 VanDerWaalsContact CD-OH 3.25Å; Q34-Y36 HydrophobicContact CG-CE2 3.99Å; Q34-Y36 VanDerWaalsContact NE2-CZ 3.27Å; Q34-Y36 PolarHBondContact NE2-OH 2.85Å; Q34-Y36 PolarHBondContact OE1-OH 2.88Å
37E71.4Confident65.2Low99 Ų99120.1 Ų120.146%0.46364%0.636SS.*EExtended strand (participates in β ladder)trans-90.1103.3166.6-136.5170.2-156.200106.4K18 R20K18-E37 HydrophobicContact CB-CB 4.41Å; K18-E37 PolarHBondContact O-N 3.47Å; R20-E37 HydrophobicContact CB-CB 4.29Å
38D55.3Low63.6Low113 Ų113118.3 Ų118.360%0.60464%0.635SS**SBendtrans152.491.2155.2-76-18.8000109.7R15 Q40R15-D38 IonicContact NH1-OD2 3.47Å; R15-D38 PolarHBondContact NH1-OD2 3.35Å; D38-Q40 PolarHBondContact O-N 3.49Å
39G58Low61.5Low94 Ų94120.6 Ų120.697%0.96965%0.65SS**SBendtrans65.3-11.2145.800000122.7
40Q44.8Very low59.4Low159 Ų159123.3 Ų123.374%0.74366%0.66SS**  trans-143.5114-179-152.3170.516.400111.6D38 L42D38-Q40 PolarHBondContact O-N 3.49Å; Q40-L42 PolarHBondContact O-N 2.93Å; Q40-L42 VanDerWaalsContact O-N 3.12Å
41E49.4Very low57.5Low200 Ų200123.8 Ų123.894%0.93566%0.662SS**  trans-65.9107.1168-69.8-174.9160.800108.1
42L50.3Low55.4Low105 Ų105129.6 Ų129.655%0.5568%0.677SS.*PPolyproline II helixtrans-82.6121.3169.3-70.4175.6000108.4Q40Q40-L42 PolarHBondContact O-N 2.93Å; Q40-L42 VanDerWaalsContact O-N 3.12Å
43E48.1Very low53.1Low160 Ų160132.3 Ų132.375%0.74868%0.684SS**PPolyproline II helixtrans-51.2133.9174.1-146.4-82.1142.400109.7
44P51.7Low50.8Low90 Ų90132.9 Ų132.958%0.58469%0.692SS**PPolyproline II helixtrans-56.6139.7-17722.4-34.2000111.5A46P44-A46 PolarHBondContact O-N 2.92Å
45P48.9Very low48.4Very low126 Ų126140.4 Ų140.482%0.81872%0.717SS**PPolyproline II helixtrans-61.6130.1-17924.4-31.7000110.6K47P45-K47 PolarHBondContact O-N 3.38Å
46A46.9Very low46.2Very low95 Ų95145.8 Ų145.879%0.78574%0.738SS**PPolyproline II helixtrans-48.9132176.300000110.7P44 E48P44-A46 PolarHBondContact O-N 2.92Å; A46-E48 PolarHBondContact O-N 3.25Å
47K50.5Low44Very low206 Ų206144.6 Ų144.690%0.89675%0.745SS**  trans-56.3104176.8-73.7175.6178.21740109.6P45 C49P45-K47 PolarHBondContact O-N 3.38Å; K47-C49 PolarHBondContact O-N 2.97Å
48E35.3Very low42.2Very low191 Ų191149.2 Ų149.289%0.89376%0.764SS**  trans-73.4100166.7-164.2161.1-159.300108.3A46 S50A46-E48 PolarHBondContact O-N 3.25Å; E48-S50 PolarHBondContact O-N 3.4Å
49C33.9Very low41.4Very low110 Ų110151.3 Ų151.374%0.74377%0.77SS**  trans-76.6113.3174.8-170.80000108.8K47K47-C49 PolarHBondContact O-N 2.97Å
50S34.1Very low40.5Very low111 Ų111152.9 Ų152.978%0.77676%0.763SS**  trans-139.291.4156.9-98.40000112.1E48E48-S50 PolarHBondContact O-N 3.4Å
51R37.8Very low39.8Very low197 Ų197151.8 Ų151.874%0.74376%0.758SS**  48118.1127.2-67.5-170.6-169.7-125.88.7120
52R37.3Very low39.1Very low188 Ų188150 Ų15071%0.70976%0.755SS**  trans79.3125150.4-55.1172.1-164.9175.54.9113.4
53F33.3Very low38.4Very low178 Ų178153.5 Ų153.578%0.78176%0.761SS**  -155.6147.653-80.8-85.2000114.7
54I34.7Very low37.9Very low142 Ų142156 Ų15673%0.72877%0.769SS**  trans70.999.9150.2-57.3164.2000118.4
55R33.9Very low37.1Very low226 Ų226158.2 Ų158.285%0.85379%0.785SS**  trans-76.2114.7166.4179.1-177.4177-173.3-1108.7
56H32.5Very low36.1Very low170 Ų170156 Ų15679%0.78779%0.785SS**  trans-106.7104.9154-96.3-76.9000107.5
57S35.1Very low35.5Very low76 Ų76156.9 Ų156.953%0.53179%0.793SS.*  trans-72.3131.217242.70000110.4
58F33.7Very low34.6Very low196 Ų196150.2 Ų150.286%0.8678%0.783SS**  trans-126.8101.2149.2-86-83.4000106.8
59E38.3Very low34.4Very low158 Ų158150.6 Ų150.674%0.73878%0.784SS**  trans-76153.1159.2-68.5-71.6140.700108.2
60P40.2Very low34.5Very low127 Ų127151.7 Ų151.783%0.82579%0.788SS**  -124121.6119.82.917.7000111.2
61E29.3Very low35Very low135 Ų135151.5 Ų151.563%0.63178%0.784SS**  trans-65.4127.3166.5-169176.1-174.400109.4R63E61-R63 IonicContact OE1-CZ 3.57Å; E61-R63 IonicContact OE1-NE 3.52Å; E61-R63 IonicContact OE1-NH2 2.8Å; E61-R63 PolarHBondContact OE1-NH2 3.41Å
62D35.8Very low34.5Very low162 Ų162150.5 Ų150.587%0.86679%0.788SS**  trans-146.5122.2143.5-135.2-8.1000110.2
63R36.1Very low34.5Very low179 Ų179149.4 Ų149.468%0.67579%0.79SS**  trans-85.4141.5-175.3-112.7176.6-106.4-171.8-5.3108.9E61E61-R63 IonicContact OE1-CZ 3.57Å; E61-R63 IonicContact OE1-NE 3.52Å; E61-R63 IonicContact OE1-NH2 2.8Å; E61-R63 PolarHBondContact OE1-NH2 3.41Å
64F35.6Very low34.4Very low212 Ų212151.5 Ų151.593%0.9379%0.793SS**  -169.3132.9125.5-85.4-62.5000110.6
65C35.1Very low34.5Very low137 Ų137152.9 Ų152.993%0.92679%0.794SS**  trans-86.4152.6179.4-690000112.6
66G27.7Very low34.5Very low79 Ų79147.8 Ų147.881%0.81479%0.793SS**  trans-176.7121.3162.400000112.9
67A36.2Very low34.7Very low114 Ų114144.7 Ų144.794%0.94279%0.791SS**  trans-64.5157.9-169.900000117.2
68G31.5Very low34.9Very low66 Ų66147 Ų14768%0.6880%0.803SS**  trans129.8111.2146.800000117.7
69E30.9Very low35.3Very low199 Ų199141.5 Ų141.593%0.9380%0.795SS**  trans75.7115139.5-55.4179.2177.300121.2
70T35.3Very low35.7Very low133 Ų133143 Ų14382%0.81680%0.799SS**  trans-73.9172.7154.347.10000111.3
71P44.3Very low36.3Very low108 Ų108144.7 Ų144.770%0.70180%0.8SS**  cis-134144.7-11.132.7-13.7000113.3
72E27.9Very low37.6Very low175 Ų175144.2 Ų144.282%0.81881%0.807SS**  trans-145106.7157.4-88-67.613600109.1R74E72-R74 PolarHBondContact O-N 2.66Å
73H37.3Very low38.7Very low165 Ų165141.3 Ų141.376%0.76481%0.805SS**  trans-65.176.6172.5178.5-84.9000109F75H73-F75 PolarHBondContact O-N 3.2Å
74R30.3Very low39.8Very low223 Ų223140.5 Ų140.584%0.84281%0.809SS**  trans-72.1102.8170.2-95.4-170.5-77.7-165.2-5108.7E72 S76E72-R74 PolarHBondContact O-N 2.66Å; R74-S76 PolarHBondContact O-N 3.26Å
75F37.6Very low41Very low171 Ų171140.1 Ų140.175%0.7580%0.801SS**  trans-14.9110.8159.1-60.5-82.2000112.9H73 S77H73-F75 PolarHBondContact O-N 3.2Å; F75-S77 PolarHBondContact O-N 3.34Å
76S34.7Very low42.5Very low119 Ų119139.9 Ų139.983%0.83279%0.789SS**  trans-51.4109.2164.3-52.20000107.8R74R74-S76 PolarHBondContact O-N 3.26Å
77S36.8Very low43.9Very low105 Ų105140.4 Ų140.473%0.73478%0.78SS**  trans-53.1131.1167.4-66.10000107.2F75 A79F75-S77 PolarHBondContact O-N 3.34Å; S77-A79 PolarHBondContact O-N 2.85Å
78P37.6Very low44.8Very low123 Ų123141.2 Ų141.280%0.79977%0.767SS**  trans-60.9110.7-179.924.8-30.2000106.3K80P78-K80 PolarHBondContact O-N 2.93Å
79A43.3Very low45.3Very low82 Ų82146.8 Ų146.868%0.67877%0.773SS**  trans-50.9111.9177.500000106.6S77 L81S77-A79 PolarHBondContact O-N 2.85Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 3.13Å
80K46.3Very low46.2Very low190 Ų190146 Ų14683%0.82677%0.767SS**  trans-62.197.1-173.8-168.7176.8-176.8179.30106.9P78 T82P78-K80 PolarHBondContact O-N 2.93Å; K80-T82 PolarHBondContact O-N 2.83Å
81L53.9Low46.4Very low161 Ų161148.4 Ų148.484%0.84377%0.769SS**  trans-65.7102.4-178.9-64176.9000107.7A79 A83A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 3.13Å; L81-A83 PolarHBondContact O-N 3.05Å
82T56.2Low46.2Very low126 Ų126150.3 Ų150.377%0.77377%0.773SS**  trans-80.169.9178.347.20000109.8K80 Q84K80-T82 PolarHBondContact O-N 2.83Å; T82-Q84 PolarHBondContact O-N 3.12Å
83A57.9Low47.1Very low100 Ų100151.1 Ų151.183%0.82678%0.777SS**  trans-76.8111.6171.600000109.6L81L81-A83 PolarHBondContact O-N 3.05Å
84Q60.1Low46.9Very low162 Ų162151.2 Ų151.276%0.75778%0.775SS**  trans-102.8124.2175.4-170.7175.713.200109.7T82 I86T82-Q84 PolarHBondContact O-N 3.12Å; Q84-I86 PolarHBondContact O-N 3.19Å
85R61Low47.5Very low204 Ų204150 Ų15077%0.7777%0.772SS**  trans-78.3119174-178.2179.9176.6-171.4-2.7109
86I64.9Low47.2Very low133 Ų133148.8 Ų148.868%0.68277%0.773SS**  trans-106.7113.3173.7-53.7172.5000107.1Q84 I88Q84-I86 PolarHBondContact O-N 3.19Å; I86-I88 HydrophobicContact CG2-CG1 4.33Å
87S58.1Low47.4Very low89 Ų89151.7 Ų151.762%0.62278%0.779SS**  trans-91.2106.3176.5-173.70000109.1F89S87-F89 PolarHBondContact O-N 3.44Å
88I54.8Low47.2Very low131 Ų131152.6 Ų152.667%0.67278%0.78SS**  trans-89.968.1174-47.6171.6000107.5I86I86-I88 HydrophobicContact CG2-CG1 4.33Å
89F41.8Very low47.2Very low183 Ų183151.5 Ų151.580%0.80378%0.775SS**  trans-85.1113.6162.3-151.5-96.8000105.6S87 E91S87-F89 PolarHBondContact O-N 3.44Å; F89-E91 PolarHBondContact O-N 3.05Å
90K49.4Very low46.8Very low182 Ų182154.8 Ų154.879%0.79178%0.781SS**  trans-66.3105.2171.2-75.5-173172.7-174.70106.7D92K90-D92 PolarHBondContact O-N 3.18Å
91E40.1Very low46.6Very low185 Ų185150.7 Ų150.786%0.86478%0.776SS**  trans-75.6114.9168-168.5159.6-151.800107.3F89 Q93F89-E91 PolarHBondContact O-N 3.05Å; E91-Q93 PolarHBondContact O-N 2.74Å
92D39.4Very low45.9Very low147 Ų147149.1 Ų149.179%0.78678%0.776SS**  trans-57131.7175.4-78.9-39.6000109.7K90 K94K90-D92 PolarHBondContact O-N 3.18Å; D92-K94 PolarHBondContact O-N 3.08Å
93Q46.8Very low45.1Very low193 Ų193149.9 Ų149.990%0.90278%0.775SS**  trans-53.8100.2177.1-161.7173.953.400111.2E91E91-Q93 PolarHBondContact O-N 2.74Å
94K34.3Very low43.8Very low167 Ų167153.5 Ų153.573%0.72677%0.772SS**  trans-139.7107.2158.4-70.5-169.8-178.2177.80110.2D92 N96D92-K94 PolarHBondContact O-N 3.08Å; K94-N96 PolarHBondContact O-N 2.89Å
95Y43.2Very low42.5Very low197 Ų197153.3 Ų153.377%0.77378%0.776SS**  trans-27122.3162.946.5-84.6000113.5
96N30.1Very low41.4Very low146 Ų146150.1 Ų150.178%0.78177%0.774SS**  trans-150.1107.7148.6-84.1-55000109.1K94 T98K94-N96 PolarHBondContact O-N 2.89Å; N96-T98 PolarHBondContact O-N 3.38Å
97L40.1Very low39.9Very low180 Ų180154.8 Ų154.894%0.94279%0.785SS**  trans-68.991.8167.4-78.3149.9000109
98T32.8Very low38.8Very low123 Ų123158.8 Ų158.876%0.75579%0.794SS**  trans-152.997.6160.245.80000110.7N96N96-T98 PolarHBondContact O-N 3.38Å
99S37Very low38.2Very low100 Ų100158.4 Ų158.470%0.69980%0.803SS**  40.5106.4127.8-147.40000118.2
100N35.1Very low37.9Very low151 Ų151155 Ų15581%0.80780%0.802SS**  162.686114.6-76.2-20.1000110.2
101S40.8Very low37.5Very low104 Ų104155.8 Ų155.873%0.72781%0.808SS**  trans-88.3133.7161.453.10000109.7L103S101-L103 PolarHBondContact O-N 3.32Å
102P39.3Very low37.3Very low129 Ų129152.1 Ų152.184%0.83880%0.803SS**  trans-79.4112.7158.117.6-3.8000109.3
103L40.8Very low37.6Very low142 Ų142154.1 Ų154.174%0.74381%0.808SS**  trans-27134.6153.9-54.9161.7000111.5S101S101-L103 PolarHBondContact O-N 3.32Å
104F31.1Very low36.9Very low176 Ų176150.2 Ų150.277%0.77280%0.8SS**  -171.913367.6-105.7-94.7000108.4
105N31.5Very low37Very low158 Ų158153.8 Ų153.885%0.84581%0.809SS**  -169.9117.1109.9-14810.3000109.6
106D38.7Very low36.9Very low137 Ų137150.8 Ų150.873%0.73381%0.811SS**  trans-79.1130.1177.4-69.1-50.2000110.8
107Y32.7Very low37.5Very low230 Ų230148.4 Ų148.490%0.90281%0.806SS**  trans-151.1136.9140.6-143-101000111
108Q34.8Very low38.1Very low173 Ų173145.3 Ų145.381%0.80880%0.797SS**  trans-59.1151-164.6-80.7171.2-14.600115.8
109S42.6Very low39Very low124 Ų124146.3 Ų146.387%0.86780%0.796SS**  trans-63120.5170.4-49.70000112.7
110S34.8Very low39.9Very low111 Ų111148.1 Ų148.178%0.77680%0.797SS**  trans-143.499.3154.8-55.30000108.4S112S110-S112 PolarHBondContact O-N 3.43Å
111E41.7Very low40.9Very low198 Ų198145.1 Ų145.193%0.92578%0.781SS**  trans18.9100.7142.4-160.5165.4-149.400117.2
112S36.8Very low41.6Very low109 Ų109149.6 Ų149.676%0.76279%0.788SS**  trans-170.1128.6149-175.60000110.5S110 C114S110-S112 PolarHBondContact O-N 3.43Å; S112-C114 PolarHBondContact O-N 2.82Å
113H44.4Very low42.9Very low189 Ų189147.5 Ų147.588%0.87579%0.79SS**  trans-51.9109.9172.5-67.9-81.6000111.6
114C32.5Very low44.4Very low110 Ų110146.7 Ų146.774%0.74378%0.78SS**  trans-151.995.2153.9-90.80000107.7S112 T116S112-C114 PolarHBondContact O-N 2.82Å; C114-T116 VanDerWaalsContact C-N 3.33Å; C114-T116 PolarHBondContact O-N 2.88Å
115R35.8Very low46.3Very low243 Ų243145.7 Ų145.792%0.91778%0.781SS**  trans-51106.2156-74.6-84.1-178.1-178.4-2.9105.5S117R115-S117 PolarHBondContact O-N 3.47Å
116T40.5Very low48.3Very low134 Ų134143.8 Ų143.882%0.82277%0.77SS**  trans-6196.1171.1-0.60000106.3C114C114-T116 VanDerWaalsContact C-N 3.33Å; C114-T116 PolarHBondContact O-N 2.88Å
117S43.4Very low50.2Low95 Ų95143.5 Ų143.566%0.66477%0.767SS**  trans-47.6129.9165.8-52.20000106.9R115 I119R115-S117 PolarHBondContact O-N 3.47Å; S117-I119 PolarHBondContact O-N 3.39Å
118P53.8Low51.9Low116 Ų116141.3 Ų141.375%0.75376%0.758SS**  trans-60.6119.4-178.625.4-31.7000107L120P118-L120 PolarHBondContact O-N 3.07Å
119I50.6Low53.8Low144 Ų144136.7 Ų136.774%0.73874%0.742SS**  trans-53.3106175.9-66165.9000106.4S117 D121S117-I119 PolarHBondContact O-N 3.39Å; I119-D121 PolarHBondContact O-N 3.46Å; I119-D121 VanDerWaalsContact O-N 3.08Å
120L55.6Low54.9Low137 Ų137138.1 Ų138.172%0.71774%0.74SS**  trans-71.8102.1173.4-79.9152.1000105.8P118 F122P118-L120 PolarHBondContact O-N 3.07Å; L120-F122 VanDerWaalsContact C-N 3.34Å; L120-F122 WeakPolarHBondContact O-CD2 3.46Å; L120-F122 WeakPolarHBondContact O-CE2 3.04Å; L120-F122 PolarHBondContact O-N 3.01Å
121D57.5Low55.9Low89 Ų89138.5 Ų138.548%0.47673%0.733SS.*  trans-6393.3177-74.4-55.9000110.6I119 G123 K124I119-D121 PolarHBondContact O-N 3.46Å; I119-D121 VanDerWaalsContact O-N 3.08Å; D121-G123 PolarHBondContact O-N 2.94Å; D121-K124 HydrophobicContact CB-CB 4.21Å; D121-K124 HydrophobicContact CB-CD 3.34Å; D121-K124 VanDerWaalsContact CB-CE 3.43Å; D121-K124 HydrophobicContact CB-CG 3.7Å; D121-K124 PolarHBondContact O-N 3.35Å; D121-K124 IonicContact OD1-NZ 3.2Å; D121-K124 PolarHBondContact OD1-NZ 2.96Å; D121-K124 WeakPolarHBondContact OD2-CE 3.36Å; D121-K124 IonicContact OD2-NZ 2.66Å; D121-K124 PolarHBondContact OD2-NZ 2.94Å
122F54.3Low57.1Low197 Ų197135 Ų13586%0.86472%0.721SS**THydrogen-bonded Turntrans-59.1128.8176-66.4-83.8000110L120L120-F122 VanDerWaalsContact C-N 3.34Å; L120-F122 WeakPolarHBondContact O-CD2 3.46Å; L120-F122 WeakPolarHBondContact O-CE2 3.04Å; L120-F122 PolarHBondContact O-N 3.01Å
123G67.1Low58.2Low85 Ų85138.7 Ų138.788%0.87672%0.723SS**THydrogen-bonded Turntrans94-2.2-179.500000115.5D121D121-G123 PolarHBondContact O-N 2.94Å
124K71.3Confident59.2Low126 Ų126136.5 Ų136.555%0.54872%0.716SS.*PPolyproline II helixtrans-89.2133.4173-62.7-169.8-167.6169.70111.3D121D121-K124 HydrophobicContact CB-CB 4.21Å; D121-K124 HydrophobicContact CB-CD 3.34Å; D121-K124 VanDerWaalsContact CB-CE 3.43Å; D121-K124 HydrophobicContact CB-CG 3.7Å; D121-K124 PolarHBondContact O-N 3.35Å; D121-K124 IonicContact OD1-NZ 3.2Å; D121-K124 PolarHBondContact OD1-NZ 2.96Å; D121-K124 WeakPolarHBondContact OD2-CE 3.36Å; D121-K124 IonicContact OD2-NZ 2.66Å; D121-K124 PolarHBondContact OD2-NZ 2.94Å
125I71.5Confident60.6Low154 Ų154138.8 Ų138.879%0.7972%0.719SS**PPolyproline II helixtrans-96.4117.2172.6-58.8174000107.8I127I125-I127 HydrophobicContact CG2-CG1 3.99Å
126I75Confident62.2Low119 Ų119135.7 Ų135.761%0.6171%0.707SS**PPolyproline II helixtrans-95.4116.5174.9-55178000108.4Y128I126-Y128 HydrophobicContact CB-CE2 4.44Å; I126-Y128 HydrophobicContact CG2-CD2 4.27Å; I126-Y128 HydrophobicContact CG2-CE1 4.23Å; I126-Y128 HydrophobicContact CG2-CE2 3.72Å
127I76.7Confident63.8Low131 Ų131133 Ų13367%0.67270%0.699SS**  trans-104.6108.3178.5-48.7179.6000109.1I125 T129I125-I127 HydrophobicContact CG2-CG1 3.99Å; I127-T129 HydrophobicContact CG2-CG2 3.59Å; I127-T129 PolarHBondContact O-N 3.24Å
128Y68.6Low64.8Low184 Ų184134.6 Ų134.672%0.72271%0.707SS**  trans-80.9109171-62.8-81.4000109.3I126I126-Y128 HydrophobicContact CB-CE2 4.44Å; I126-Y128 HydrophobicContact CG2-CD2 4.27Å; I126-Y128 HydrophobicContact CG2-CE1 4.23Å; I126-Y128 HydrophobicContact CG2-CE2 3.72Å
129T75.7Confident65.5Low76 Ų76132.7 Ų132.747%0.46669%0.689SS.*  trans-119.2123.3173.662.70000109.3I127 N131 L132I127-T129 HydrophobicContact CG2-CG2 3.59Å; I127-T129 PolarHBondContact O-N 3.24Å; T129-N131 VanDerWaalsContact C-N 3.35Å; T129-L132 VanDerWaalsContact OG1-CD2 3.24Å; T129-L132 WeakPolarHBondContact OG1-CD2 3.43Å
130N65.5Low66.8Low154 Ų154130.8 Ų130.882%0.82468%0.68SS**SBendtrans-78.2-26173.4-170.42.8000111
131N56.3Low67.8Low118 Ų118131.2 Ų131.263%0.63168%0.679SS**  trans-127.298.9-174.5-60.9-52.5000110.3T129T129-N131 VanDerWaalsContact C-N 3.35Å
132L66.8Low68.6Low126 Ų126134.3 Ų134.366%0.6669%0.688SS**  trans-86.5109.3167.1-67.8169.6000108.1T129T129-L132 VanDerWaalsContact OG1-CD2 3.24Å; T129-L132 WeakPolarHBondContact OG1-CD2 3.43Å
133K60.4Low69.6Low186 Ų186128.6 Ų128.681%0.80966%0.664SS**  trans-100126.6163.8-75.9-173.8176.6-179.90108.2I135K133-I135 PolarHBondContact O-N 3.31Å
134I63.7Low70.2Confident143 Ų143128.6 Ų128.673%0.73364%0.643SS**  trans-69.999.1170.7-57.1175.7000107R136I134-R136 VanDerWaalsContact C-N 3.35Å; I134-R136 HydrophobicContact CG2-CG 3.84Å; I134-R136 PolarHBondContact O-N 2.81Å; I134-R136 VanDerWaalsContact O-N 3.13Å
135I63Low70.3Confident157 Ų157126.8 Ų126.881%0.80564%0.638SS**  trans-77.694.5165.7-55.3-179.2000105.7K133K133-I135 PolarHBondContact O-N 3.31Å
136R69.6Low70.6Confident178 Ų178125.1 Ų125.167%0.67262%0.622SS**PPolyproline II helixtrans-67.2140.9164.7-64.4-175.3177.5134.3-3.6107I134I134-R136 VanDerWaalsContact C-N 3.35Å; I134-R136 HydrophobicContact CG2-CG 3.84Å; I134-R136 PolarHBondContact O-N 2.81Å; I134-R136 VanDerWaalsContact O-N 3.13Å
137A73.4Confident70.5Confident79 Ų79125.5 Ų125.565%0.65362%0.615SS**PPolyproline II helixtrans-50142.1171.900000109.3M139A137-M139 PolarHBondContact O-N 3.28Å
138P64.2Low70.5Confident128 Ų128122.4 Ų122.483%0.83160%0.6SS**PPolyproline II helixtrans-52.5127.8178.322.5-32.3000108.8D140P138-D140 PolarHBondContact O-N 2.93Å
139M69.6Low70.6Confident75 Ų75116.6 Ų116.637%0.36958%0.58SS.*PPolyproline II helixtrans-64.2133.7-179.1-62.6-75.8-76.900108.5A137 E143A137-M139 PolarHBondContact O-N 3.28Å; M139-E143 HydrophobicContact CB-CB 4.49Å; M139-E143 HydrophobicContact CE-CB 3.86Å; M139-E143 HydrophobicContact CE-CG 3.22Å; M139-E143 HydrophobicContact SD-CG 4.33Å
140D77.8Confident70Confident104 Ų104119.8 Ų119.856%0.55659%0.59SS**PPolyproline II helixtrans-58148.7170.2-179.832.3000109.8P138 K142 E143 L144P138-D140 PolarHBondContact O-N 2.93Å; D140-K142 PolarHBondContact O-N 3.04Å; D140-K142 VanDerWaalsContact O-N 3.09Å; D140-E143 WeakPolarHBondContact O-CA 3.39Å; D140-E143 WeakPolarHBondContact O-CB 3.24Å; D140-E143 PolarHBondContact O-N 2.98Å; D140-L144 PolarHBondContact O-N 2.95Å
141Q75Confident70.1Confident146 Ų146118.4 Ų118.468%0.68259%0.587SS**Hα-helixtrans-54.5-34.8-176.4-173.1179.44.600111.5M145Q141-M145 WeakPolarHBondContact O-CB 3.03Å; Q141-M145 VanDerWaalsContact O-CG 3.25Å; Q141-M145 WeakPolarHBondContact O-CG 3.23Å; Q141-M145 PolarHBondContact O-N 2.81Å
142K74.4Confident70.2Confident155 Ų155119.2 Ų119.267%0.67459%0.587SS**Hα-helixtrans-66.5-38.8176.2-66179.4178.5177.50112.7D140 R146D140-K142 PolarHBondContact O-N 3.04Å; D140-K142 VanDerWaalsContact O-N 3.09Å; K142-R146 WeakPolarHBondContact O-CB 3.47Å; K142-R146 PolarHBondContact O-N 3.35Å
143E76Confident69.6Low76 Ų76116 Ų11636%0.35559%0.585SS.*Hα-helixtrans-74.9-35.9179.9-154.868.6-13900111.3M139 D140 R146 R147M139-E143 HydrophobicContact CB-CB 4.49Å; M139-E143 HydrophobicContact CE-CB 3.86Å; M139-E143 HydrophobicContact CE-CG 3.22Å; M139-E143 HydrophobicContact SD-CG 4.33Å; D140-E143 WeakPolarHBondContact O-CA 3.39Å; D140-E143 WeakPolarHBondContact O-CB 3.24Å; D140-E143 PolarHBondContact O-N 2.98Å; E143-R146 PolarHBondContact O-N 2.8Å; E143-R146 IonicContact OE1-NH1 2.96Å; E143-R146 PolarHBondContact OE1-NH1 2.88Å; E143-R146 IonicContact OE2-CZ 3.81Å; E143-R146 IonicContact OE2-NH1 2.67Å; E143-R146 PolarHBondContact OE2-NH1 2.84Å; E143-R147 PolarHBondContact O-N 2.82Å
144L80.4Confident69.4Low86 Ų86111.3 Ų111.345%0.4557%0.568SS.*Hα-helixtrans-61.5-48.8171.3-178.668.4000110.8D140 R146 R147 I148D140-L144 PolarHBondContact O-N 2.95Å; L144-R146 PolarHBondContact O-N 3.2Å; L144-R147 PolarHBondContact O-N 3.38Å; L144-I148 HydrophobicContact CD1-CD1 4.36Å; L144-I148 HydrophobicContact CG-CD1 3.93Å; L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 3.37Å
145M73.4Confident69.2Low87 Ų87110.5 Ų110.543%0.42957%0.565SS.*Hα-helixtrans-62.9-41.4178-72.4-64.9131.600111.8Q141 R147 I148 I149Q141-M145 WeakPolarHBondContact O-CB 3.03Å; Q141-M145 VanDerWaalsContact O-CG 3.25Å; Q141-M145 WeakPolarHBondContact O-CG 3.23Å; Q141-M145 PolarHBondContact O-N 2.81Å; M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 3.01Å; M145-I148 HydrophobicContact CE-CD1 3.71Å; M145-I148 PolarHBondContact O-N 3.17Å; M145-I148 HydrophobicContact SD-CD1 4.28Å; M145-I149 WeakPolarHBondContact O-CD1 3.15Å; M145-I149 VanDerWaalsContact O-CG1 3.23Å; M145-I149 WeakPolarHBondContact O-CG1 3.38Å; M145-I149 PolarHBondContact O-N 3.47Å
146R77.3Confident68.9Low120 Ų120109.2 Ų109.245%0.45356%0.56SS.*Hα-helixtrans-60.7-38.7176-159.5-176.9-66.6126.1-0.7111.9K142 E143 L144 Q150K142-R146 WeakPolarHBondContact O-CB 3.47Å; K142-R146 PolarHBondContact O-N 3.35Å; E143-R146 PolarHBondContact O-N 2.8Å; E143-R146 IonicContact OE1-NH1 2.96Å; E143-R146 PolarHBondContact OE1-NH1 2.88Å; E143-R146 IonicContact OE2-CZ 3.81Å; E143-R146 IonicContact OE2-NH1 2.67Å; E143-R146 PolarHBondContact OE2-NH1 2.84Å; L144-R146 PolarHBondContact O-N 3.2Å; R146-Q150 WeakPolarHBondContact O-CB 3.48Å; R146-Q150 VanDerWaalsContact O-CG 3.23Å; R146-Q150 WeakPolarHBondContact O-CG 3.04Å; R146-Q150 PolarHBondContact O-N 2.99Å; R146-Q150 VanDerWaalsContact O-N 3.1Å
147R73.8Confident68Low126 Ų126109.5 Ų109.548%0.47556%0.561SS.*Hα-helixtrans-70.5-38.2174.4-80.7-167.5177.5-170.70.6113.9E143 L144 M145 Q150 T151E143-R147 PolarHBondContact O-N 2.82Å; L144-R147 PolarHBondContact O-N 3.38Å; M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 3.01Å; R147-Q150 PolarHBondContact O-N 3.37Å; R147-T151 WeakPolarHBondContact O-CB 2.99Å; R147-T151 PolarHBondContact O-N 3.38Å; R147-T151 PolarHBondContact O-OG1 3.11Å
148I75.4Confident67.1Low67 Ų67108.4 Ų108.434%0.34455%0.552SS.*Hα-helixtrans-62.5-47.6176.7-68.7163.7000109.4L144 M145 Q150 T151 E152L144-I148 HydrophobicContact CD1-CD1 4.36Å; L144-I148 HydrophobicContact CG-CD1 3.93Å; L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 3.37Å; M145-I148 HydrophobicContact CE-CD1 3.71Å; M145-I148 PolarHBondContact O-N 3.17Å; M145-I148 HydrophobicContact SD-CD1 4.28Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; I148-Q150 PolarHBondContact O-N 3.13Å; I148-T151 PolarHBondContact O-N 2.85Å; I148-T151 VanDerWaalsContact O-N 3.12Å; I148-E152 WeakPolarHBondContact O-CB 3.23Å; I148-E152 PolarHBondContact O-N 3.06Å
149I70.3Confident66.4Low61 Ų61108.6 Ų108.631%0.31354%0.54SS..Hα-helixtrans-58.9-43.4177.5-66.7165.6000111.3M145 G153 I154M145-I149 WeakPolarHBondContact O-CD1 3.15Å; M145-I149 VanDerWaalsContact O-CG1 3.23Å; M145-I149 WeakPolarHBondContact O-CG1 3.38Å; M145-I149 PolarHBondContact O-N 3.47Å; I149-G153 PolarHBondContact O-N 2.73Å; I149-I154 WeakPolarHBondContact CG2-O 3.46Å
150Q64.7Low65.8Low143 Ų143111.1 Ų111.167%0.66855%0.549SS*.Hα-helixtrans-68.2-31.3177-74.9173.21.300113.8R146 R147 I148R146-Q150 WeakPolarHBondContact O-CB 3.48Å; R146-Q150 VanDerWaalsContact O-CG 3.23Å; R146-Q150 WeakPolarHBondContact O-CG 3.04Å; R146-Q150 PolarHBondContact O-N 2.99Å; R146-Q150 VanDerWaalsContact O-N 3.1Å; R147-Q150 PolarHBondContact O-N 3.37Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; I148-Q150 PolarHBondContact O-N 3.13Å
151T66.1Low64.4Low125 Ų125113.9 Ų113.977%0.76755%0.553SS**Hα-helixtrans-82.5-32.4-177.3-52.90000111.8R147 I148R147-T151 WeakPolarHBondContact O-CB 2.99Å; R147-T151 PolarHBondContact O-N 3.38Å; R147-T151 PolarHBondContact O-OG1 3.11Å; I148-T151 PolarHBondContact O-N 2.85Å; I148-T151 VanDerWaalsContact O-N 3.12Å
152E58.2Low63.3Low135 Ų135116.7 Ų116.763%0.63156%0.557SS**Hα-helixtrans-96.6-4-175.3-151.6161.4-160.600113.1I148 I154I148-E152 WeakPolarHBondContact O-CB 3.23Å; I148-E152 PolarHBondContact O-N 3.06Å; E152-I154 HydrophobicContact CB-CD1 3.89Å; E152-I154 HydrophobicContact CB-CG1 4.03Å; E152-I154 HydrophobicContact CG-CD1 3.68Å; E152-I154 HydrophobicContact CG-CG1 4.05Å; E152-I154 PolarHBondContact O-N 3.38Å
153G55.7Low61.8Low60 Ų60115 Ų11562%0.61955%0.552SS**THydrogen-bonded Turntrans63.825.9177.100000113.5I149 N155I149-G153 PolarHBondContact O-N 2.73Å; G153-N155 PolarHBondContact O-N 3.34Å
154I56.1Low60.2Low86 Ų86120 Ų12044%0.44157%0.567SS.*  trans-85116.4-176.7-64.2171.6000108.8I149 E152I149-I154 WeakPolarHBondContact CG2-O 3.46Å; E152-I154 HydrophobicContact CB-CD1 3.89Å; E152-I154 HydrophobicContact CB-CG1 4.03Å; E152-I154 HydrophobicContact CG-CD1 3.68Å; E152-I154 HydrophobicContact CG-CG1 4.05Å; E152-I154 PolarHBondContact O-N 3.38Å
155N59.5Low58.6Low127 Ų127124.7 Ų124.768%0.67958%0.584SS**  trans-58.5137.5-178-69.4-54.5000113.1G153 W157G153-N155 PolarHBondContact O-N 3.34Å; N155-W157 PolarHBondContact O-N 2.76Å
156D56.7Low57.4Low130 Ų130129.1 Ų129.170%0.69560%0.604SS**THydrogen-bonded Turntrans-45.7-17-178.9-107.8-16.6000116.5A158 F159D156-A158 PolarHBondContact O-N 2.93Å; D156-F159 PolarHBondContact O-N 3.35Å
157W50.6Low55.9Low183 Ų183131.9 Ų131.969%0.69362%0.619SS**Hα-helixtrans-70-29-171.891.8-79.4000113.8N155 F159 Y161N155-W157 PolarHBondContact O-N 2.76Å; W157-F159 VanDerWaalsContact C-N 3.28Å; W157-F159 PolarHBondContact O-N 3.29Å; W157-Y161 HydrophobicContact CE3-CD2 4.06Å; W157-Y161 HydrophobicContact CE3-CE2 4.33Å; W157-Y161 HydrophobicContact CZ3-CD2 4.11Å; W157-Y161 HydrophobicContact CZ3-CE2 4.26Å
158A53.1Low54.1Low57 Ų57134.6 Ų134.647%0.47164%0.635SS.*Hα-helixtrans-70.1-25.4-177.200000112.7D156D156-A158 PolarHBondContact O-N 2.93Å
159F51.3Low52.4Low132 Ų132136.8 Ų136.858%0.57966%0.656SS**Hα-helixtrans-82.8-39.3-179.2-165.3-98000112.2D156 W157 Y161 R162D156-F159 PolarHBondContact O-N 3.35Å; W157-F159 VanDerWaalsContact C-N 3.28Å; W157-F159 PolarHBondContact O-N 3.29Å; F159-Y161 PolarHBondContact O-N 3.17Å; F159-Y161 VanDerWaalsContact O-N 3.15Å; F159-R162 PolarHBondContact O-N 2.82Å
160K56Low51.1Low128 Ų128141.8 Ų141.856%0.55768%0.683SS**Hα-helixtrans-62-23.6179.3-67.1-62.3-66.7173.80113.8
161Y49.5Very low49.8Very low161 Ų161138 Ų13863%0.63168%0.683SS**Hα-helixtrans-83.1-21.3179.1-104.4-87.2000114.6W157 F159W157-Y161 HydrophobicContact CE3-CD2 4.06Å; W157-Y161 HydrophobicContact CE3-CE2 4.33Å; W157-Y161 HydrophobicContact CZ3-CD2 4.11Å; W157-Y161 HydrophobicContact CZ3-CE2 4.26Å; F159-Y161 PolarHBondContact O-N 3.17Å; F159-Y161 VanDerWaalsContact O-N 3.15Å
162R50.3Low48.4Very low205 Ų205140.9 Ų140.977%0.77469%0.687SS**Hα-helixtrans-82.1-38.8177.9-166.5-179-71.9-123.13.1111.6F159 R164 K165F159-R162 PolarHBondContact O-N 2.82Å; R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 2.83Å; R162-K165 PolarHBondContact O-N 2.99Å
163E43.9Very low48Very low121 Ų121144.7 Ų144.757%0.56570%0.696SS**Hα-helixtrans-68.8-28.4179.6-166.3-179.7-154.900113
164R43Very low47.2Very low180 Ų180151 Ų15168%0.67971%0.706SS**G310 helixtrans-76.5-20.2179-171.4171.5-72176.4-3.2113.5R162R162-R164 VanDerWaalsContact C-N 3.32Å; R162-R164 PolarHBondContact O-N 2.83Å
165K45.7Very low46.5Very low185 Ų185154.1 Ų154.180%0.80472%0.724SS**G310 helixtrans-81.5-11.6-174.9-114.4-173.5177.7-173.30114.7R162R162-K165 PolarHBondContact O-N 2.99Å
166E47.7Very low45.4Very low179 Ų179154.6 Ų154.684%0.83673%0.73SS**G310 helixtrans-89.9-0.3178-79.9-175.7159.700114.1
167K46.6Very low44.9Very low178 Ų178156 Ų15677%0.77473%0.733SS**SBendtrans-122.48.1-174.1-69.5-171.2178.6-178.90116.6
168F36.8Very low44.4Very low184 Ų184156.8 Ų156.881%0.80774%0.741SS**  trans-129.6121.5172.1-83.5-84.4000111.8
169S39.4Very low44.1Very low112 Ų112162.8 Ų162.878%0.78376%0.757SS**  trans-54.9157.9-177.2-49.20000115.3
170D41.4Very low43.3Very low166 Ų166162.8 Ų162.889%0.88877%0.767SS**  42.5128.9123.1-163.731.1000119.2
171G38.6Very low42.3Very low64 Ų64160.7 Ų160.766%0.6677%0.774SS**  trans120.8107.5160.200000117.1
172H36.1Very low41.5Very low186 Ų186159 Ų15986%0.86178%0.784SS**  trans75.9122.4136.4-127.8-82.1000121.4
173R50.9Low40.7Very low215 Ų215156.4 Ų156.481%0.81179%0.786SS**  trans-62.5145.9167-65.3-161.8164.9-146.3-2.5112
174K37.7Very low40.6Very low193 Ų193158.6 Ų158.684%0.83980%0.796SS**  -151132.7124.7-70.5-154.6177.9-178.90111.2
175D41.3Very low40.1Very low151 Ų151160 Ų16081%0.80780%0.803SS**  trans-52.3127.9161-105.4-68.2000110.8
176V37.5Very low39.8Very low136 Ų136155.1 Ų155.182%0.82479%0.788SS**  trans-141.6113.7152.6171.80000108.3
177E46.3Very low39.5Very low161 Ų161154.6 Ų154.675%0.75279%0.786SS**  trans-34.2121.7171.3-159.3171.5-174.100114.3
178K38.4Very low39Very low199 Ų199155.2 Ų155.287%0.86579%0.789SS**  trans-105.387.5175.6-157.5178.4-171.9-178.50109.9
179K47.6Very low38.9Very low183 Ų183149.7 Ų149.780%0.79678%0.784SS**  trans-97.1106.4153.6-80.9-174.8179.6172.60108.1
180V33.8Very low38.8Very low131 Ų131152 Ų15279%0.79478%0.782SS**  trans-132.7118.8156.4175.70000107.1
181A35Very low39.2Very low84 Ų84149.5 Ų149.569%0.69478%0.784SS**  trans-55.6131.9-174.400000112.3
182C33.8Very low40.1Very low127 Ų127153.5 Ų153.586%0.85879%0.786SS**  trans-81.3112.7156.7-1660000106.4Q184C182-Q184 PolarHBondContact O-N 3.09Å
183N34Very low41.2Very low150 Ų150156.3 Ų156.380%0.80279%0.789SS**  trans-58121.1172.3-81.9-46.1000109Y185N183-Y185 PolarHBondContact O-N 3.17Å
184Q40.8Very low42.1Very low167 Ų167150.6 Ų150.678%0.7878%0.782SS**  trans-51128.5160.3-81.9170.1-6.900109.5C182 V186C182-Q184 PolarHBondContact O-N 3.09Å; Q184-V186 HydrophobicContact CB-CG2 4.1Å; Q184-V186 HydrophobicContact CG-CG2 3.93Å
185Y33.2Very low43.9Very low209 Ų209142.2 Ų142.282%0.8275%0.747SS**  trans-118.3100.7132-150-98.3000107.7N183 Q187N183-Y185 PolarHBondContact O-N 3.17Å; Y185-Q187 HydrophobicContact CE1-CG 4.48Å
186V39.3Very low45.6Very low83 Ų83140.1 Ų140.150%0.50374%0.744SS.*  trans-78.1120173.8165.60000107.9Q184 K188Q184-V186 HydrophobicContact CB-CG2 4.1Å; Q184-V186 HydrophobicContact CG-CG2 3.93Å; V186-K188 HydrophobicContact CG1-CB 3.62Å
187Q41.5Very low47.3Very low167 Ų167140.3 Ų140.378%0.7874%0.736SS**  trans-130.695.7135.8-67.6-162.521.500103.9Y185Y185-Q187 HydrophobicContact CE1-CG 4.48Å
188K34.8Very low49Very low192 Ų192133.1 Ų133.184%0.83570%0.703SS**  49.8109.567.8-159.7169.7-173.4-179.70113.5V186V186-K188 HydrophobicContact CG1-CB 3.62Å
189G36.1Very low50.9Low68 Ų68132.1 Ų132.170%0.70170%0.699SS**  trans98123.1165.300000111.2
190E36.1Very low52.4Low160 Ų160126.2 Ų126.275%0.74869%0.69SS**  cis-154.2150.77.7-91.3165.315200105.8E192E190-E192 HydrophobicContact CB-CB 4.26Å; E190-E192 PolarHBondContact O-N 3.12Å
191A51.1Low54.6Low113 Ų113123.9 Ų123.993%0.93468%0.68SS**  trans-72.458.4164.700000109.8
192E56.5Low56.9Low148 Ų148121.6 Ų121.669%0.69267%0.665SS**SBendtrans-124.5103.6175-83.3-169.5160.900109.9E190E190-E192 HydrophobicContact CB-CB 4.26Å; E190-E192 PolarHBondContact O-N 3.12Å
193R60.3Low59.3Low245 Ų245118.1 Ų118.193%0.92564%0.641SS**  trans54.263.7165.6-55.1-171.6-177.7-176.71.8114.4C195R193-C195 PolarHBondContact O-N 2.88Å; R193-C195 VanDerWaalsContact O-N 3.07Å
194S68.7Low61.8Low95 Ų95111.9 Ų111.966%0.66461%0.611SS**  trans-54.2120.4157.156.20000108.3S196S194-S196 PolarHBondContact O-N 3.1Å; S194-S196 VanDerWaalsContact O-N 3.15Å
195C76.1Confident64.1Low17 Ų17108.1 Ų108.112%0.11560%0.601CS.*  trans-55.3125.8-179.9164.40000108.9R193 Q197 C198 K199 C241 C244R193-C195 PolarHBondContact O-N 2.88Å; R193-C195 VanDerWaalsContact O-N 3.07Å; C195-Q197 PolarHBondContact O-N 3.19Å; C195-Q197 PolarHBondContact SG-N 3.21Å; C195-Q197 VanDerWaalsContact SG-N 3.43Å; C195-C198 VanDerWaalsContact CB-SG 3.55Å; C195-C198 PolarHBondContact O-N 2.81Å; C195-K199 VanDerWaalsContact O-CA 3.27Å; C195-K199 WeakPolarHBondContact O-CA 3.04Å; C195-K199 PolarHBondContact O-N 3.1Å; C195-C241 VanDerWaalsContact SG-SG 3.62Å; C195-C244 WeakPolarHBondContact CB-SG 3.46Å
196S77.8Confident66.7Low107 Ų10798.1 Ų98.175%0.74856%0.562SS**THydrogen-bonded Turntrans-55.7-23.7-177.552.70000112.6S194S194-S196 PolarHBondContact O-N 3.1Å; S194-S196 VanDerWaalsContact O-N 3.15Å
197Q72.7Confident68.9Low141 Ų14198 Ų9866%0.65956%0.564SS**THydrogen-bonded Turntrans-97.9-36.9-173.1-155146.6-1100114.3C195 I243C195-Q197 PolarHBondContact O-N 3.19Å; C195-Q197 PolarHBondContact SG-N 3.21Å; C195-Q197 VanDerWaalsContact SG-N 3.43Å; Q197-I243 HydrophobicContact CB-CD1 3.84Å; Q197-I243 HydrophobicContact CG-CD1 4.47Å
198C80.6Confident71Confident9 Ų994.1 Ų94.16%0.06155%0.549CS..THydrogen-bonded Turntrans-104.7-4.6176.374.70000113.6C195 G200 S201 G202 C241 C244C195-C198 VanDerWaalsContact CB-SG 3.55Å; C195-C198 PolarHBondContact O-N 2.81Å; C198-G200 PolarHBondContact O-N 2.9Å; C198-S201 WeakPolarHBondContact O-CB 3.27Å; C198-S201 PolarHBondContact O-N 3.16Å; C198-S201 PolarHBondContact O-OG 3.47Å; C198-G202 PolarHBondContact SG-N 2.79Å; C198-C241 HydrophobicContact CB-CB 3.75Å; C198-C244 PolarHBondContact SG-SG 3.41Å
199K79.5Confident73.5Confident179 Ų17985.3 Ų85.378%0.77851%0.511SS*.THydrogen-bonded Turntrans49.531.2-179.7-58.8-177.9178.5-177.80113.4C195C195-K199 VanDerWaalsContact O-CA 3.27Å; C195-K199 WeakPolarHBondContact O-CA 3.04Å; C195-K199 PolarHBondContact O-N 3.1Å
200G78.2Confident75.9Confident59 Ų5989.4 Ų89.461%0.60851%0.512SS*.THydrogen-bonded Turntrans911-179.400000116C198 G202C198-G200 PolarHBondContact O-N 2.9Å; G200-G202 VanDerWaalsContact C-N 3.35Å
201S80.3Confident78.1Confident81 Ų8183.1 Ų83.157%0.56649%0.49SS*.SBendtrans-81-10.4178.760.50000114.6C198 S203C198-S201 WeakPolarHBondContact O-CB 3.27Å; C198-S201 PolarHBondContact O-N 3.16Å; C198-S201 PolarHBondContact O-OG 3.47Å; S201-S203 PolarHBondContact O-N 3.08Å; S201-S203 PolarHBondContact OG-O 3.45Å
202G82.8Confident79.7Confident37 Ų3780.9 Ų80.938%0.38147%0.468SS..SBendtrans67-6-179.100000115.1C198 G200 C241C198-G202 PolarHBondContact SG-N 2.79Å; G200-G202 VanDerWaalsContact C-N 3.35Å; G202-C241 PolarHBondContact O-N 2.8Å
203S84.5Confident81.2Confident53 Ų5378.4 Ų78.437%0.37146%0.455SS..EExtended strand (participates in β ladder)trans-127.4143.7-175.8-51.90000110.2S201 Q239S201-S203 PolarHBondContact O-N 3.08Å; S201-S203 PolarHBondContact OG-O 3.45Å; S203-Q239 CarbonylContact C-O 3.59Å; S203-Q239 WeakPolarHBondContact CA-O 3.41Å
204A87.3Confident82.2Confident19 Ų1972.7 Ų72.716%0.15744%0.437CS..EExtended strand (participates in β ladder)trans-128153.117700000110.1L238 Q239A204-L238 CarbonylContact O-C 3.58Å; A204-L238 WeakPolarHBondContact O-CA 3.41Å; A204-Q239 PolarHBondContact N-O 3.38Å; A204-Q239 PolarHBondContact O-N 2.81Å
205P88.1Confident82.7Confident88 Ų8869.1 Ų69.157%0.57141%0.412SS*.EExtended strand (participates in β ladder)trans-58.5143.2171.825.4-33.7000110.3S207P205-S207 PolarHBondContact O-N 3.19Å
206C89.4Confident82.3Confident0 Ų075.3 Ų75.30%044%0.441CS..  trans-56.8133.2-175.7177.50000112.2L208 C209 H210 C233 G237 Q239C206-L208 VanDerWaalsContact C-N 3.28Å; C206-L208 PolarHBondContact O-N 2.68Å; C206-L208 PolarHBondContact SG-N 3.22Å; C206-L208 VanDerWaalsContact SG-N 3.37Å; C206-C209 WeakPolarHBondContact CB-SG 3.48Å; C206-C209 PolarHBondContact SG-N 2.94Å; C206-C209 VanDerWaalsContact SG-SG 3.64Å; C206-H210 WeakPolarHBondContact O-CA 3.24Å; C206-H210 PolarHBondContact O-N 3.41Å; C206-C233 HydrophobicContact CB-CB 3.57Å; C206-G237 VanDerWaalsContact CB-O 3.27Å; C206-G237 WeakPolarHBondContact CB-O 3.44Å; C206-G237 PolarHBondContact N-O 2.94Å; C206-Q239 VanDerWaalsContact CA-OE1 3.24Å; C206-Q239 HydrophobicContact CB-CG 4Å; C206-Q239 VanDerWaalsContact SG-CD 3.51Å; C206-Q239 PolarHBondContact SG-NE2 3.5Å
207S85.4Confident81.7Confident80 Ų8073.2 Ų73.256%0.55942%0.421SS*.THydrogen-bonded Turntrans-68.6-25.4177.6570000113.7P205 H210 Q239P205-S207 PolarHBondContact O-N 3.19Å; S207-H210 PolarHBondContact O-CE1 2.92Å; S207-Q239 PolarHBondContact OG-OE1 3.5Å
208L84.9Confident81.1Confident85 Ų8567.7 Ų67.745%0.44540%0.4SS..THydrogen-bonded Turntrans-90.4-34.1-177.8-61-174.3000113.9C206 A232C206-L208 VanDerWaalsContact C-N 3.28Å; C206-L208 PolarHBondContact O-N 2.68Å; C206-L208 PolarHBondContact SG-N 3.22Å; C206-L208 VanDerWaalsContact SG-N 3.37Å; L208-A232 HydrophobicContact CD1-CB 3.48Å; L208-A232 VanDerWaalsContact CD1-CB 3.48Å; L208-A232 HydrophobicContact CG-CB 4.22Å
209C86.3Confident79.9Confident8 Ų874.6 Ų74.65%0.05444%0.436CS..THydrogen-bonded Turntrans-115.2-5.3-179.177.60000113.3C206 G211 S212 K213 F214 C230C206-C209 WeakPolarHBondContact CB-SG 3.48Å; C206-C209 PolarHBondContact SG-N 2.94Å; C206-C209 VanDerWaalsContact SG-SG 3.64Å; C209-G211 PolarHBondContact O-N 2.93Å; C209-G211 VanDerWaalsContact O-N 3.11Å; C209-S212 WeakPolarHBondContact O-CB 3.37Å; C209-S212 PolarHBondContact O-N 3.39Å; C209-K213 PolarHBondContact SG-N 3.37Å; C209-K213 VanDerWaalsContact SG-N 3.35Å; C209-F214 WeakPolarHBondContact CB-O 3.46Å; C209-C230 HydrophobicContact CB-CB 3.83Å
210H87.1Confident79.1Confident153 Ų15372.8 Ų72.871%0.70842%0.424SS*.THydrogen-bonded Turntrans53.630.1-177.9-51-63.6000113.6C206 S207 S212C206-H210 WeakPolarHBondContact O-CA 3.24Å; C206-H210 PolarHBondContact O-N 3.41Å; S207-H210 PolarHBondContact O-CE1 2.92Å; H210-S212 VanDerWaalsContact C-N 3.35Å
211G82.6Confident78.1Confident29 Ų2978.5 Ų78.530%0.29943%0.433SS..THydrogen-bonded Turntrans84.80.9-175.600000115.1C209 K213C209-G211 PolarHBondContact O-N 2.93Å; C209-G211 VanDerWaalsContact O-N 3.11Å; G211-K213 PolarHBondContact O-N 3.22Å
212S83.9Confident77.1Confident66 Ų6686.3 Ų86.346%0.46245%0.449SS..  trans-63.1-24.8174.5175.50000113.1C209 H210 F214C209-S212 WeakPolarHBondContact O-CB 3.37Å; C209-S212 PolarHBondContact O-N 3.39Å; H210-S212 VanDerWaalsContact C-N 3.35Å; S212-F214 WeakPolarHBondContact O-CD2 3.29Å; S212-F214 WeakPolarHBondContact O-CE2 3.38Å; S212-F214 PolarHBondContact O-N 3.04Å
213K88.3Confident75.7Confident95 Ų9590.5 Ų90.541%0.41346%0.459SS..  trans67.7-14-176-48168.1-174.9-162.50114.5C209 G211 R229 C230 E235C209-K213 PolarHBondContact SG-N 3.37Å; C209-K213 VanDerWaalsContact SG-N 3.35Å; G211-K213 PolarHBondContact O-N 3.22Å; K213-R229 CarbonylContact O-C 3.54Å; K213-R229 WeakPolarHBondContact O-CA 3.49Å; K213-C230 PolarHBondContact O-N 2.89Å; K213-E235 VanDerWaalsContact CD-O 3.31Å; K213-E235 WeakPolarHBondContact CD-O 3.41Å; K213-E235 VanDerWaalsContact CE-O 3.29Å; K213-E235 WeakPolarHBondContact CE-O 3.45Å; K213-E235 PolarHBondContact NZ-O 2.97Å; K213-E235 VanDerWaalsContact NZ-O 3.08Å
214F81.8Confident74.3Confident126 Ų12690.5 Ų90.555%0.55346%0.459SS*.BIsolated β-bridgetrans-86.4145.2177.7-62.5-72.1000111.9C209 S212 L228C209-F214 WeakPolarHBondContact CB-O 3.46Å; S212-F214 WeakPolarHBondContact O-CD2 3.29Å; S212-F214 WeakPolarHBondContact O-CE2 3.38Å; S212-F214 PolarHBondContact O-N 3.04Å; F214-L228 WeakPolarHBondContact CA-O 3.45Å
215S78.6Confident72.9Confident20 Ų20101.4 Ų101.414%0.1450%0.498CS..  trans-64.5137.2168.8175.90000109.7L217 A218 A227 L228S215-L217 PolarHBondContact O-N 2.96Å; S215-L217 PolarHBondContact OG-N 2.67Å; S215-A218 WeakPolarHBondContact O-CB 3.32Å; S215-A218 PolarHBondContact O-N 2.97Å; S215-A227 WeakPolarHBondContact CB-O 3.31Å; S215-L228 PolarHBondContact N-O 2.96Å
216M68.5Low71.7Confident147 Ų147104.8 Ų104.872%0.72450%0.499SS*.THydrogen-bonded Turntrans-59.3-18.1173.3-65.5-163.6-63.200112.7
217L64.5Low70.6Confident62 Ų62107.9 Ų107.933%0.32553%0.525SS..THydrogen-bonded Turntrans-91.7-1.8178-60170.6000113.1S215 N219 R220 R226S215-L217 PolarHBondContact O-N 2.96Å; S215-L217 PolarHBondContact OG-N 2.67Å; L217-N219 PolarHBondContact O-N 3.15Å; L217-R220 PolarHBondContact O-N 3.43Å; L217-R226 VanDerWaalsContact CD1-NH1 3.33Å
218A59.6Low70.3Confident26 Ų26109.9 Ų109.922%0.21553%0.529CS..THydrogen-bonded Turntrans-58-22-178.300000113.4S215 L228S215-A218 WeakPolarHBondContact O-CB 3.32Å; S215-A218 PolarHBondContact O-N 2.97Å; A218-L228 HydrophobicContact CB-CD2 4.49Å
219N57.4Low70.2Confident153 Ų153113.3 Ų113.382%0.81854%0.536SS*.THydrogen-bonded Turntrans-90.8-2.8178.5-65.5-32.6000114.1L217 F221L217-N219 PolarHBondContact O-N 3.15Å; N219-F221 PolarHBondContact O-N 2.79Å
220R62.7Low70.1Confident141 Ų141113.4 Ų113.453%0.53254%0.536SS..  trans-95.462.4-177-66.8-130.3172.8173.3-1.5112.5L217 R222 E223L217-R220 PolarHBondContact O-N 3.43Å; R220-R222 PolarHBondContact O-N 3.4Å; R220-E223 HydrophobicContact CB-CB 4.45Å; R220-E223 WeakPolarHBondContact CD-OE2 3.36Å; R220-E223 IonicContact CZ-OE2 3.58Å; R220-E223 IonicContact NE-OE2 3.71Å; R220-E223 IonicContact NH1-OE2 2.74Å; R220-E223 PolarHBondContact NH1-OE2 2.63Å; R220-E223 PolarHBondContact O-N 3.07Å; R220-E223 VanDerWaalsContact O-N 3.08Å
221F56.2Low70Confident180 Ų180111.8 Ų111.879%0.78954%0.54SS*.THydrogen-bonded Turntrans-54.8-15-177.5-116.4-91.1000115.7N219N219-F221 PolarHBondContact O-N 2.79Å
222R58.3Low70.1Confident244 Ų244112.3 Ų112.392%0.92154%0.541SS*.THydrogen-bonded Turntrans-103.5-14.5-178.7-68.7-172.6177.3-174-1.1114.7R220R220-R222 PolarHBondContact O-N 3.4Å
223E54.8Low70.3Confident126 Ų126110.3 Ų110.359%0.58953%0.527SS*.THydrogen-bonded Turntrans-117.7-12.4-162.3-75.1171.4-17500115.4R220R220-E223 HydrophobicContact CB-CB 4.45Å; R220-E223 WeakPolarHBondContact CD-OE2 3.36Å; R220-E223 IonicContact CZ-OE2 3.58Å; R220-E223 IonicContact NE-OE2 3.71Å; R220-E223 IonicContact NH1-OE2 2.74Å; R220-E223 PolarHBondContact NH1-OE2 2.63Å; R220-E223 PolarHBondContact O-N 3.07Å; R220-E223 VanDerWaalsContact O-N 3.08Å
224S53.9Low70.1Confident53 Ų53109.8 Ų109.837%0.37153%0.529SS..  trans178.4139.1161.339.20000111.1R226S224-R226 PolarHBondContact O-N 3.01Å; S224-R226 VanDerWaalsContact OG-CD 3.23Å; S224-R226 WeakPolarHBondContact OG-CD 3.31Å; S224-R226 WeakPolarHBondContact OG-CG 3.27Å; S224-R226 PolarHBondContact OG-NE 3.48Å; S224-R226 VanDerWaalsContact OG-NE 3.07Å
225Y58.7Low70.3Confident247 Ų247110.6 Ų110.697%0.96953%0.534SS*.  trans-68.378.3163.2-68.9-84.9000108.8
226R62.3Low70.5Confident159 Ų159112.5 Ų112.560%0.655%0.547SS*.  trans-97.1154.8172.2-75.2176.3-173.3-151.50.9109.7L217 S224 L228L217-R226 VanDerWaalsContact CD1-NH1 3.33Å; S224-R226 PolarHBondContact O-N 3.01Å; S224-R226 VanDerWaalsContact OG-CD 3.23Å; S224-R226 WeakPolarHBondContact OG-CD 3.31Å; S224-R226 WeakPolarHBondContact OG-CG 3.27Å; S224-R226 PolarHBondContact OG-NE 3.48Å; S224-R226 VanDerWaalsContact OG-NE 3.07Å; R226-L228 PolarHBondContact O-N 2.99Å
227A67.6Low71.3Confident65 Ų65105.5 Ų105.554%0.53751%0.513SS..  trans-49.8130.3-177.900000111.4S215 R229S215-A227 WeakPolarHBondContact CB-O 3.31Å; A227-R229 PolarHBondContact O-N 3.48Å
228L78.9Confident72.4Confident122 Ų122105.5 Ų105.564%0.63951%0.513SS*.SBendtrans-64.3-29175.2-67.5174000111.4F214 S215 A218 R226F214-L228 WeakPolarHBondContact CA-O 3.45Å; S215-L228 PolarHBondContact N-O 2.96Å; A218-L228 HydrophobicContact CB-CD2 4.49Å; R226-L228 PolarHBondContact O-N 2.99Å
229R82.1Confident73.9Confident158 Ų158105.5 Ų105.560%0.59651%0.508SS*.BIsolated β-bridgetrans-87.2143.5174.9-70.7-171.5176.6-174-1.4111K213 A227 P231 E235K213-R229 CarbonylContact O-C 3.54Å; K213-R229 WeakPolarHBondContact O-CA 3.49Å; A227-R229 PolarHBondContact O-N 3.48Å; R229-P231 WeakPolarHBondContact O-CD 3.25Å; R229-E235 IonicContact CZ-OE1 3.84Å; R229-E235 IonicContact NH1-OE1 2.82Å; R229-E235 PolarHBondContact NH1-OE1 3.49Å; R229-E235 IonicContact NH2-OE1 3.96Å
230C84.6Confident75.2Confident10 Ų10102 Ų1027%0.06849%0.494CS..  trans-62.9121.6170.1179.80000108.8C209 K213 A232C209-C230 HydrophobicContact CB-CB 3.83Å; K213-C230 PolarHBondContact O-N 2.89Å; C230-A232 PolarHBondContact O-N 3.09Å
231P84.8Confident76.4Confident119 Ų11995.4 Ų95.477%0.77347%0.47SS*.THydrogen-bonded Turntrans-73.8-15.6-177.929.8-35.3000112.9R229R229-P231 WeakPolarHBondContact O-CD 3.25Å
232A83.8Confident77.6Confident40 Ų4093.4 Ų93.433%0.33146%0.463SS..THydrogen-bonded Turntrans-88.2-7-17300000113.6L208 C230 Q239L208-A232 HydrophobicContact CD1-CB 3.48Å; L208-A232 VanDerWaalsContact CD1-CB 3.48Å; L208-A232 HydrophobicContact CG-CB 4.22Å; C230-A232 PolarHBondContact O-N 3.09Å; A232-Q239 VanDerWaalsContact CB-NE2 3.33Å; A232-Q239 VanDerWaalsContact O-CG 3.23Å; A232-Q239 WeakPolarHBondContact O-CG 3.23Å; A232-Q239 PolarHBondContact O-NE2 3.41Å
233C88.7Confident78.5Confident24 Ų2486.2 Ų86.216%0.16244%0.441CS..SBendtrans-132.5161-176.8650000112.7C206 L238 Q239C206-C233 HydrophobicContact CB-CB 3.57Å; C233-L238 WeakPolarHBondContact CB-O 3.45Å; C233-Q239 HydrophobicContact CB-CG 4Å
234N85.3Confident79.6Confident84 Ų8483.4 Ų83.445%0.44944%0.435SS..  trans-73.3-178.2174.867.97000112.1S236 G237 L238N234-S236 VanDerWaalsContact CG-OG 3.31Å; N234-S236 PolarHBondContact ND2-OG 2.97Å; N234-S236 PolarHBondContact O-N 2.91Å; N234-S236 VanDerWaalsContact O-N 3.16Å; N234-S236 PolarHBondContact OD1-N 3.12Å; N234-S236 PolarHBondContact OD1-OG 3.37Å; N234-G237 PolarHBondContact O-N 3.22Å; N234-G237 PolarHBondContact OD1-N 3.1Å; N234-G237 VanDerWaalsContact OD1-N 3.1Å; N234-L238 PolarHBondContact N-O 3.26Å; N234-L238 VanDerWaalsContact N-O 3.1Å; N234-L238 WeakPolarHBondContact OD1-CA 3.23Å; N234-L238 PolarHBondContact OD1-N 2.97Å; N234-L238 PolarHBondContact OD1-O 2.83Å; N234-L238 VanDerWaalsContact OD1-O 3.12Å
235E84.3Confident80.4Confident142 Ų14284 Ų8466%0.66444%0.443SS*.THydrogen-bonded Turntrans-63.6-20.7-178.1-52.3-159.3123.900114.2K213 R229K213-E235 VanDerWaalsContact CD-O 3.31Å; K213-E235 WeakPolarHBondContact CD-O 3.41Å; K213-E235 VanDerWaalsContact CE-O 3.29Å; K213-E235 WeakPolarHBondContact CE-O 3.45Å; K213-E235 PolarHBondContact NZ-O 2.97Å; K213-E235 VanDerWaalsContact NZ-O 3.08Å; R229-E235 IonicContact CZ-OE1 3.84Å; R229-E235 IonicContact NH1-OE1 2.82Å; R229-E235 PolarHBondContact NH1-OE1 3.49Å; R229-E235 IonicContact NH2-OE1 3.96Å
236S82.8Confident80.3Confident60 Ų6079.1 Ų79.142%0.4245%0.454SS..THydrogen-bonded Turntrans-88.5-3173.352.90000113.4N234 L238N234-S236 VanDerWaalsContact CG-OG 3.31Å; N234-S236 PolarHBondContact ND2-OG 2.97Å; N234-S236 PolarHBondContact O-N 2.91Å; N234-S236 VanDerWaalsContact O-N 3.16Å; N234-S236 PolarHBondContact OD1-N 3.12Å; N234-S236 PolarHBondContact OD1-OG 3.37Å; S236-L238 VanDerWaalsContact C-N 3.32Å
237G86.2Confident81.2Confident0 Ų075.1 Ų75.10%045%0.446CS..SBendtrans79.217.7-179.200000113.4C206 N234C206-G237 VanDerWaalsContact CB-O 3.27Å; C206-G237 WeakPolarHBondContact CB-O 3.44Å; C206-G237 PolarHBondContact N-O 2.94Å; N234-G237 PolarHBondContact O-N 3.22Å; N234-G237 PolarHBondContact OD1-N 3.1Å; N234-G237 VanDerWaalsContact OD1-N 3.1Å
238L88.6Confident81.9Confident62 Ų6275.6 Ų75.633%0.32544%0.442SS..EExtended strand (participates in β ladder)trans-102.9152.2-178.2-58176.9000111.1A204 C233 N234 S236A204-L238 CarbonylContact O-C 3.58Å; A204-L238 WeakPolarHBondContact O-CA 3.41Å; C233-L238 WeakPolarHBondContact CB-O 3.45Å; N234-L238 PolarHBondContact N-O 3.26Å; N234-L238 VanDerWaalsContact N-O 3.1Å; N234-L238 WeakPolarHBondContact OD1-CA 3.23Å; N234-L238 PolarHBondContact OD1-N 2.97Å; N234-L238 PolarHBondContact OD1-O 2.83Å; N234-L238 VanDerWaalsContact OD1-O 3.12Å; S236-L238 VanDerWaalsContact C-N 3.32Å
239Q89.1Confident82.1Confident26 Ų2673.1 Ų73.112%0.12143%0.431CS..EExtended strand (participates in β ladder)trans-127.2154.8174.3-72.4-179.9-39.200109S203 A204 C206 S207 A232 C233 C241S203-Q239 CarbonylContact C-O 3.59Å; S203-Q239 WeakPolarHBondContact CA-O 3.41Å; A204-Q239 PolarHBondContact N-O 3.38Å; A204-Q239 PolarHBondContact O-N 2.81Å; C206-Q239 VanDerWaalsContact CA-OE1 3.24Å; C206-Q239 HydrophobicContact CB-CG 4Å; C206-Q239 VanDerWaalsContact SG-CD 3.51Å; C206-Q239 PolarHBondContact SG-NE2 3.5Å; S207-Q239 PolarHBondContact OG-OE1 3.5Å; A232-Q239 VanDerWaalsContact CB-NE2 3.33Å; A232-Q239 VanDerWaalsContact O-CG 3.23Å; A232-Q239 WeakPolarHBondContact O-CG 3.23Å; A232-Q239 PolarHBondContact O-NE2 3.41Å; C233-Q239 HydrophobicContact CB-CG 4Å; Q239-C241 PolarHBondContact O-N 3.15Å
240P86.8Confident82.1Confident81 Ų8168.1 Ų68.153%0.52642%0.421SS..EExtended strand (participates in β ladder)trans-57.4140.117024.8-33.1000109.9Q242 A245P240-Q242 PolarHBondContact O-N 3.18Å; P240-Q242 VanDerWaalsContact O-N 3.17Å; P240-A245 HydrophobicContact CB-CB 4.15Å
241C87.6Confident81.9Confident2 Ų271.7 Ų71.71%0.01444%0.443CS..  trans-64.2118.8177.9-179.80000109.3C195 C198 G202 Q239 I243 C244 A245C195-C241 VanDerWaalsContact SG-SG 3.62Å; C198-C241 HydrophobicContact CB-CB 3.75Å; G202-C241 PolarHBondContact O-N 2.8Å; Q239-C241 PolarHBondContact O-N 3.15Å; C241-I243 PolarHBondContact O-N 3.37Å; C241-I243 VanDerWaalsContact O-N 3.09Å; C241-C244 HydrophobicContact CB-CB 4.02Å; C241-C244 PolarHBondContact O-N 3.42Å; C241-A245 VanDerWaalsContact O-CB 3.24Å; C241-A245 WeakPolarHBondContact O-CB 3.46Å; C241-A245 PolarHBondContact O-N 3.2Å
242Q80.6Confident81.7Confident138 Ų13868.5 Ų68.565%0.64542%0.421SS*.THydrogen-bonded Turntrans-61.5-21.9-176.8-60.7-62-36.500113.5P240 A246P240-Q242 PolarHBondContact O-N 3.18Å; P240-Q242 VanDerWaalsContact O-N 3.17Å; Q242-A246 WeakPolarHBondContact O-CB 3.41Å
243I77.4Confident81.6Confident92 Ų9270.6 Ų70.647%0.47243%0.427SS..THydrogen-bonded Turntrans-84.8-28.6177.6-61.5175000111.5Q197 C241Q197-I243 HydrophobicContact CB-CD1 3.84Å; Q197-I243 HydrophobicContact CG-CD1 4.47Å; C241-I243 PolarHBondContact O-N 3.37Å; C241-I243 VanDerWaalsContact O-N 3.09Å
244C78.4Confident81Confident68 Ų6874.2 Ų74.246%0.45945%0.448SS..THydrogen-bonded Turntrans-94.6-18.1178.9-58.80000113.2C195 C198 C241C195-C244 WeakPolarHBondContact CB-SG 3.46Å; C198-C244 PolarHBondContact SG-SG 3.41Å; C241-C244 HydrophobicContact CB-CB 4.02Å; C241-C244 PolarHBondContact O-N 3.42Å
245A70.1Confident80.7Confident66 Ų6673.3 Ų73.355%0.54545%0.448SS..  trans-99.41.5179.900000112.9P240 C241P240-A245 HydrophobicContact CB-CB 4.15Å; C241-A245 VanDerWaalsContact O-CB 3.24Å; C241-A245 WeakPolarHBondContact O-CB 3.46Å; C241-A245 PolarHBondContact O-N 3.2Å
246A56.1Low80.3Confident143 Ų14367.1 Ų67.1100%1.18243%0.428SS*.  trans-82.80171.900000111.1Q242Q242-A246 WeakPolarHBondContact O-CB 3.41Å

Retrieved 246 of 246 residues in 46.9 ms (Link to these results)

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