A0A087WRV2_MOUSE Loading...

Keratin associated protein 5-2

AlphaFold DB , UniProt , Accession A0A087WRV2, Species MOUSE (Mus musculus, Mouse), Gene Krtap5-2, Length 367 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
1M36.7Very low30Very low243 Ų243118 Ų118100%1.19785%0.854SS**  0112.10-74.7169.1178.900107.7
2S30.8Very low30.1Very low116 Ų116115.4 Ų115.481%0.81183%0.833SS**  trans-62.6136.5-177.2-50.70000111.9
3C28.1Very low30Very low133 Ų133115.3 Ų115.390%0.89983%0.831SS**  trans-101.3104.5150.1-72.20000106.6
4C28.6Very low30.1Very low122 Ų122117 Ų11782%0.82484%0.838SS**  trans-54.3141.7176.7-84.10000111.3
5G29.9Very low30Very low64 Ų64114.2 Ų114.266%0.6683%0.834SS**  trans-60.5142.8177.700000113.1
6C28.1Very low30.3Very low139 Ų139111.5 Ų111.594%0.93983%0.828SS**  trans-104.982.1144.8-80.40000106.9G8C6-G8 PolarHBondContact O-N 2.81Å
7S33.4Very low30.3Very low128 Ų128111.1 Ų111.190%0.89582%0.821SS**  trans-70.295.4160.6-40.80000106.9
8G27.7Very low30.3Very low71 Ų71108.5 Ų108.573%0.73281%0.812SS**  trans-160.384.1-179.600000110.1C6C6-G8 PolarHBondContact O-N 2.81Å
9G30.1Very low30.8Very low77 Ų77109.8 Ų109.879%0.79482%0.818SS**  trans-67.6138.4178.800000112.9
10C28.7Very low31Very low133 Ų133109.7 Ų109.790%0.89982%0.815SS**  trans-156.792.5144.5-85.50000103.6
11G28.1Very low31.1Very low72 Ų72108.2 Ų108.274%0.74280%0.801SS**  92104.752.400000108.8
12S30.9Very low31.1Very low87 Ų87101.9 Ų101.961%0.60878%0.78SS**  trans106.481.8169.3-44.90000116.8
13S28.4Very low31.1Very low114 Ų114106 Ų10680%0.79778%0.783SS**  trans32.594.2134.239.10000118.2G15S13-G15 VanDerWaalsContact C-N 3.31Å; S13-G15 PolarHBondContact O-N 3Å
14C31.3Very low31.2Very low139 Ų139105.3 Ų105.394%0.93978%0.777SS**  trans-64.793.5152.2-670000108.4G16C14-G16 PolarHBondContact O-N 3.34Å; C14-G16 VanDerWaalsContact O-N 3.12Å
15G29.1Very low31.5Very low75 Ų75105.3 Ų105.377%0.77377%0.773SS**  trans-66.9106.217300000110.7S13S13-G15 VanDerWaalsContact C-N 3.31Å; S13-G15 PolarHBondContact O-N 3Å
16G34.2Very low31.5Very low71 Ų71108 Ų10873%0.73278%0.78SS**  trans63.580.2151.700000117.6C14C14-G16 PolarHBondContact O-N 3.34Å; C14-G16 VanDerWaalsContact O-N 3.12Å
17C31.7Very low31.6Very low105 Ų105105.7 Ų105.771%0.70977%0.765SS**  trans-112.2116.7145-76.40000107.7S19C17-S19 PolarHBondContact O-N 3.28Å
18G30.1Very low31.4Very low64 Ų64105.8 Ų105.866%0.6676%0.764SS**  trans-50.4134.8174.600000111S20G18-S20 PolarHBondContact O-N 3.2Å
19S39.9Very low31.3Very low133 Ų133110.3 Ų110.393%0.9376%0.764SS**THydrogen-bonded Turntrans-71.634.2-158.5-37.10000116.6C17C17-S19 PolarHBondContact O-N 3.28Å
20S35Very low31.3Very low108 Ų108113 Ų11376%0.75577%0.767SS**THydrogen-bonded Turntrans-125.35.4-173.959.50000116.3G18G18-S20 PolarHBondContact O-N 3.2Å
21C32.1Very low31.5Very low79 Ų79111.2 Ų111.253%0.53475%0.752SS.*SBendtrans-128.717.5-172.3-68.80000116.5
22C36.3Very low31.7Very low110 Ų110113.8 Ų113.874%0.74376%0.757SS**  trans-120.8112.8175.3-67.50000110.8
23K31.1Very low31.6Very low201 Ų201114.3 Ų114.387%0.87476%0.759SS**  trans-85.1127.9156.7-94.1-172.41761750108V25K23-V25 PolarHBondContact O-N 3.5Å
24P31.4Very low32Very low120 Ų120113.5 Ų113.578%0.77975%0.753SS**  trans-71.9120.817528.5-30.2000109.1
25V33.3Very low32Very low122 Ų122112.1 Ų112.174%0.73974%0.74SS**  trans-100.2109.4160.9173.60000106.1K23 C27K23-V25 PolarHBondContact O-N 3.5Å; V25-C27 PolarHBondContact O-N 2.83Å
26C31.7Very low32.4Very low120 Ų120110 Ų11081%0.81171%0.712SS**  trans-67.197.3174.1-650000109.3
27C28.6Very low32.3Very low90 Ų90111.1 Ų111.161%0.60871%0.714SS**  trans-102.5113.3162.7-77.80000107.9V25 K29V25-C27 PolarHBondContact O-N 2.83Å; C27-K29 PolarHBondContact O-N 2.82Å
28C29.2Very low32.5Very low131 Ų131109.4 Ų109.489%0.88570%0.703SS**SBendtrans-69.640.8-179.9-63.90000114.6
29K25.8Very low32.7Very low166 Ų166111.3 Ų111.372%0.72271%0.706SS**SBendtrans-148.8148.2168-91.7-176.6168.171.70108.1C27 V31C27-K29 PolarHBondContact O-N 2.82Å; K29-V31 PolarHBondContact O-N 2.88Å
30P31.4Very low32.5Very low134 Ų134107.2 Ų107.287%0.8768%0.677SS**SBendtrans-76.776.4-165.434.2-34.6000109.9
31V31Very low32.6Very low94 Ų94107 Ų10757%0.5768%0.676SS**  trans-135.692.4173.6-153.20000105.1K29 C33K29-V31 PolarHBondContact O-N 2.88Å; V31-C33 PolarHBondContact O-N 3.11Å
32C32.6Very low32.9Very low127 Ų127106.9 Ų106.986%0.85868%0.675SS**  trans-65.784.5171.8-75.30000108.6C34C32-C34 PolarHBondContact O-N 3Å
33C30.3Very low33.2Very low97 Ų97103.3 Ų103.366%0.65565%0.651SS**  trans-7772.3170.6-68.90000109V31 V35V31-C33 PolarHBondContact O-N 3.11Å; C33-V35 PolarHBondContact O-N 2.72Å; C33-V35 VanDerWaalsContact O-N 3.11Å
34C35.3Very low33.7Very low97 Ų9796.7 Ų96.766%0.65564%0.64SS**  trans-67.9106.4164.4-70.30000107.5C32 P36C32-C34 PolarHBondContact O-N 3Å; C34-P36 WeakPolarHBondContact O-CD 3.39Å
35V33Very low34Very low110 Ų11096.1 Ų96.167%0.66763%0.631SS**  trans-99.3102.7169.4-176.60000107.3C33 A37C33-V35 PolarHBondContact O-N 2.72Å; C33-V35 VanDerWaalsContact O-N 3.11Å; V35-A37 PolarHBondContact O-N 2.88Å
36P35.8Very low34.1Very low31 Ų3192.6 Ų92.620%0.20161%0.611CS.*  trans-77.5120.6173.7-3.521.7000108.4C34 C38C34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-C38 VanDerWaalsContact C-N 3.31Å
37A32.6Very low34.3Very low94 Ų9495.1 Ų95.178%0.77761%0.608SS**  trans-92.513169.900000112.7V35V35-A37 PolarHBondContact O-N 2.88Å
38C35.3Very low34.6Very low69 Ų6992.7 Ų92.747%0.46660%0.598SS.*SBendtrans-135.7150.8-177.1-68.40000111.7P36 C40P36-C38 VanDerWaalsContact C-N 3.31Å; C38-C40 PolarHBondContact O-N 2.78Å
39S34.8Very low34.8Very low105 Ų10589.7 Ų89.773%0.73459%0.59SS**  trans-6192.8175.6-50.50000111.2
40C36.9Very low35.2Very low46 Ų4684.1 Ų84.131%0.31157%0.571SS.*  trans-82.4129.8174.4-67.10000110.7C38 S42C38-C40 PolarHBondContact O-N 2.78Å; C40-S42 PolarHBondContact O-N 2.97Å
41S36.8Very low35.5Very low104 Ų10480.5 Ų80.573%0.72756%0.558SS**SBendtrans-61.6-29.3172.6-55.40000112.1G61 S62S41-G61 WeakPolarHBondContact O-CA 3.35Å; S41-G61 PolarHBondContact O-N 2.82Å; S41-S62 PolarHBondContact O-N 2.95Å
42S38.1Very low36Very low76 Ų7680.3 Ų80.353%0.53156%0.561SS.*EExtended strand (participates in β ladder)trans-151.1135.3175.144.70000110.9C40 S62C40-S42 PolarHBondContact O-N 2.97Å; S42-S62 WeakPolarHBondContact CA-O 3.24Å
43C42.2Very low36.5Very low35 Ų3576 Ų7624%0.23653%0.532CS..EExtended strand (participates in β ladder)trans-95.5119.9162.3-680000107.1C56 S62 G64C43-C56 PolarHBondContact SG-SG 3.38Å; C43-S62 PolarHBondContact N-O 3.11Å; C43-S62 VanDerWaalsContact N-O 3.14Å; C43-G64 PolarHBondContact O-N 3.01Å
44G41.1Very low37.1Very low62 Ų6274.7 Ų74.764%0.63954%0.535SS*.PPolyproline II helixtrans-58.7147-171.400000113.8C46G44-C46 PolarHBondContact O-N 3.4Å
45D37.3Very low37.5Very low109 Ų10971.8 Ų71.858%0.58352%0.522SS*.PPolyproline II helixtrans-62.8120.1177.4-56.1-71.4000110.7K47 G64 G65D45-K47 PolarHBondContact O-N 3.38Å; D45-K47 VanDerWaalsContact O-N 3.12Å; D45-G64 WeakPolarHBondContact OD1-CA 3.26Å; D45-G65 PolarHBondContact OD1-N 3.1Å
46C37Very low37.9Very low47 Ų4767.5 Ų67.532%0.31850%0.496SS..  trans-67.1111.8170.5-64.50000109.1G44G44-C46 PolarHBondContact O-N 3.4Å
47K34.4Very low38Very low173 Ų17373 Ų7375%0.75252%0.517SS*.BIsolated β-bridgetrans-85.4101.6162.7-79.4-172.6176.6-1800108.2D45D45-K47 PolarHBondContact O-N 3.38Å; D45-K47 VanDerWaalsContact O-N 3.12Å
48G36.8Very low38.5Very low39 Ų3969.6 Ų69.640%0.40249%0.491SS..SBendtrans130.6137.2-179.200000111.5C50G48-C50 PolarHBondContact O-N 3.34Å
49G31.5Very low38.5Very low69 Ų6968.2 Ų68.271%0.71149%0.489SS*.  trans-63.8102.5-176.400000112.1
50C35.8Very low38.7Very low49 Ų4963.5 Ų63.533%0.33146%0.456SS..  trans-93.2125.9172.8-62.90000109.8G48 S52 C70G48-C50 PolarHBondContact O-N 3.34Å; C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.39Å; C50-C70 WeakPolarHBondContact O-CA 3.35Å; C50-C70 PolarHBondContact O-SG 3.1Å
51G37.5Very low38.9Very low58 Ų5863.3 Ų63.360%0.59846%0.461SS*.SBendtrans-60.4-39.4179.200000113.5G71 S72G51-G71 PolarHBondContact O-N 3.09Å; G51-S72 PolarHBondContact O-N 3.37Å
52S40.4Very low39.1Very low90 Ų9060.8 Ų60.863%0.62944%0.444SS*.EExtended strand (participates in β ladder)trans-149.2129.7176.8-680000112C50 S72C50-S52 VanDerWaalsContact C-N 3.33Å; C50-S52 PolarHBondContact O-N 3.39Å; S52-S72 VanDerWaalsContact CA-O 3.24Å; S52-S72 WeakPolarHBondContact CA-O 3.36Å
53C43.5Very low39.4Very low35 Ų3558.2 Ų58.224%0.23643%0.425CS..EExtended strand (participates in β ladder)trans-101.2125.5171.9-69.50000110.3S72 G74C53-S72 PolarHBondContact N-O 3.02Å; C53-S72 VanDerWaalsContact N-O 3.11Å; C53-G74 PolarHBondContact O-N 2.84Å
54G42.5Very low39.4Very low70 Ų7058 Ų5872%0.72243%0.429SS*.PPolyproline II helixtrans-67.6135.717800000112.3
55G44.1Very low39.5Very low37 Ų3756.1 Ų56.138%0.38141%0.409SS..PPolyproline II helixtrans-71.5147.7-176.100000114.1G74G55-G74 VanDerWaalsContact CA-O 3.23Å; G55-G74 WeakPolarHBondContact CA-O 3.3Å
56C41.4Very low39.5Very low20 Ų2052 Ų5214%0.13539%0.389CS..PPolyproline II helixtrans-79.9133.2179.4-63.60000112.3C43 G58 K77C43-C56 PolarHBondContact SG-SG 3.38Å; C56-G58 PolarHBondContact O-N 3.12Å; C56-K77 PolarHBondContact O-N 3.22Å
57K38.9Very low39.4Very low146 Ų14658.5 Ų58.564%0.63541%0.412SS*.SBendtrans-87.778.6166.8-78-177177.5176.10109.2
58G42.2Very low39.5Very low23 Ų2352 Ų5224%0.23739%0.394CS..SBendtrans163.3167177.900000111.8C56 G78C56-G58 PolarHBondContact O-N 3.12Å; G58-G78 PolarHBondContact O-N 3.04Å
59G35.8Very low39.3Very low40 Ų4053.8 Ų53.841%0.41241%0.412SS..  trans-73.6127168.600000109.8G79G59-G79 WeakPolarHBondContact CA-O 3.25Å
60C39.5Very low39.5Very low6 Ų650.6 Ų50.64%0.04138%0.379CS..EExtended strand (participates in β ladder)trans-105.8131.8176700000109.6C63 G79 C80 G81C60-C63 WeakPolarHBondContact CB-SG 3.23Å; C60-C63 WeakPolarHBondContact SG-CB 3.36Å; C60-C63 CovalentContact SG-SG 2.09Å; C60-C63 PolarHBondContact SG-SG 3.21Å; C60-G79 PolarHBondContact N-O 2.96Å; C60-G79 VanDerWaalsContact N-O 3.16Å; C60-C80 VanDerWaalsContact O-CA 3.31Å; C60-C80 WeakPolarHBondContact O-CA 3.12Å; C60-C80 VanDerWaalsContact SG-CB 3.57Å; C60-G81 PolarHBondContact O-N 2.85Å
61G39.9Very low39.7Very low41 Ų4150.2 Ų50.242%0.42338%0.383SS..EExtended strand (participates in β ladder)trans-65.2-41.6174.800000111.7S41 G81 S82S41-G61 WeakPolarHBondContact O-CA 3.35Å; S41-G61 PolarHBondContact O-N 2.82Å; G61-G81 CarbonylContact O-C 3.51Å; G61-G81 WeakPolarHBondContact O-CA 3.35Å; G61-G81 PolarHBondContact O-N 3Å; G61-S82 PolarHBondContact O-N 3.32Å
62S41.3Very low40Very low52 Ų5250 Ų5036%0.36437%0.372SS..EExtended strand (participates in β ladder)trans-148.8125.7169.6-73.10000110.1S41 S42 C43 S82S41-S62 PolarHBondContact O-N 2.95Å; S42-S62 WeakPolarHBondContact CA-O 3.24Å; C43-S62 PolarHBondContact N-O 3.11Å; C43-S62 VanDerWaalsContact N-O 3.14Å; S62-S82 WeakPolarHBondContact CA-O 2.99Å
63C45.2Very low40.2Very low22 Ų2247.1 Ų47.115%0.14935%0.352CS..EExtended strand (participates in β ladder)trans-98.1101.8171.4-79.30000106.5C60 S82 G84C60-C63 WeakPolarHBondContact CB-SG 3.23Å; C60-C63 WeakPolarHBondContact SG-CB 3.36Å; C60-C63 CovalentContact SG-SG 2.09Å; C60-C63 PolarHBondContact SG-SG 3.21Å; C63-S82 PolarHBondContact N-O 3.32Å; C63-G84 PolarHBondContact O-N 3.1Å
64G42.2Very low40.4Very low30 Ų3047.2 Ų47.231%0.30936%0.359SS..PPolyproline II helixtrans-55.9136.1-175.100000112.2C43 D45C43-G64 PolarHBondContact O-N 3.01Å; D45-G64 WeakPolarHBondContact OD1-CA 3.26Å
65G43.3Very low40.6Very low22 Ų2245 Ų4523%0.22734%0.336CS..PPolyproline II helixtrans-74.8144.3176.100000110.3D45 K67D45-G65 PolarHBondContact OD1-N 3.1Å; G65-K67 PolarHBondContact O-N 3.19Å
66C36.8Very low40.6Very low22 Ų2243.8 Ų43.815%0.14932%0.322CS..PPolyproline II helixtrans-69.7118172.5-60.10000109G68 C70C66-G68 VanDerWaalsContact CB-O 3.26Å; C66-G68 WeakPolarHBondContact CB-O 3.37Å; C66-G68 PolarHBondContact O-N 3.41Å; C66-C70 HydrophobicContact CB-CB 3.96Å
67K35Very low40.8Very low185 Ų18549.1 Ų49.180%0.80434%0.342SS*.BIsolated β-bridgetrans-75.385.1163.2-94.3-173.7173.5-179.80107.4G65G65-K67 PolarHBondContact O-N 3.19Å
68G35.7Very low41Very low36 Ų3643 Ų4337%0.37132%0.32SS..SBendtrans130.8116.7-173.200000109C66 C70C66-G68 VanDerWaalsContact CB-O 3.26Å; C66-G68 WeakPolarHBondContact CB-O 3.37Å; C66-G68 PolarHBondContact O-N 3.41Å; G68-C70 PolarHBondContact O-N 3Å; G68-C70 VanDerWaalsContact O-N 3.1Å
69G32.7Very low40.9Very low76 Ų7643.4 Ų43.478%0.78433%0.325SS*.  trans-47.1113.4-165.900000114.4
70C36.3Very low41.3Very low3 Ų341.6 Ų41.62%0.0231%0.306CS..  trans-85.8126.6165.2-179.20000109C50 C66 G68 G87C50-C70 WeakPolarHBondContact O-CA 3.35Å; C50-C70 PolarHBondContact O-SG 3.1Å; C66-C70 HydrophobicContact CB-CB 3.96Å; G68-C70 PolarHBondContact O-N 3Å; G68-C70 VanDerWaalsContact O-N 3.1Å; C70-G87 PolarHBondContact O-N 3.5Å
71G39.4Very low41.5Very low41 Ų4142.3 Ų42.342%0.42331%0.314SS..SBendtrans-68.8-35.7-177.800000113.2G51 S88G51-G71 PolarHBondContact O-N 3.09Å; G71-S88 WeakPolarHBondContact O-CB 3.23Å; G71-S88 PolarHBondContact O-N 3.18Å
72S43.2Very low41.9Very low52 Ų5242.9 Ų42.936%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-152.7118.6179.9-75.80000113.3G51 S52 C53 S88G51-S72 PolarHBondContact O-N 3.37Å; S52-S72 VanDerWaalsContact CA-O 3.24Å; S52-S72 WeakPolarHBondContact CA-O 3.36Å; C53-S72 PolarHBondContact N-O 3.02Å; C53-S72 VanDerWaalsContact N-O 3.11Å; S72-S88 CarbonylContact C-O 3.56Å; S72-S88 WeakPolarHBondContact CA-O 3.41Å
73C46.1Very low42.2Very low31 Ų3141.3 Ų41.321%0.20930%0.301CS..EExtended strand (participates in β ladder)trans-96.8122.2170.2-73.60000110.2C86 S88 G90C73-C86 HydrophobicContact CB-CB 4.29Å; C73-S88 PolarHBondContact N-O 2.95Å; C73-G90 PolarHBondContact O-N 3.26Å
74G46.4Very low42.2Very low36 Ų3641.8 Ų41.837%0.37131%0.309SS..PPolyproline II helixtrans-65.6132.9172.200000111.4C53 G55C53-G74 PolarHBondContact O-N 2.84Å; G55-G74 VanDerWaalsContact CA-O 3.23Å; G55-G74 WeakPolarHBondContact CA-O 3.3Å
75G46.7Very low42.4Very low24 Ų2442.2 Ų42.225%0.24731%0.314CS..PPolyproline II helixtrans-63.1148.6-174.300000115.5G90 G91G75-G90 VanDerWaalsContact CA-O 3.23Å; G75-G90 WeakPolarHBondContact CA-O 3.5Å; G75-G91 VanDerWaalsContact CA-O 3.26Å; G75-G91 WeakPolarHBondContact CA-O 3.16Å
76C45.3Very low42.4Very low12 Ų1242 Ų428%0.08131%0.308CS..PPolyproline II helixtrans-79131.2174.4-58.70000110.8G78 K93C76-G78 VanDerWaalsContact C-N 3.35Å; C76-K93 PolarHBondContact O-N 3.23Å
77K44.1Very low42.8Very low131 Ų13142.6 Ų42.657%0.5732%0.319SS*.SBendtrans-76.2-20.5172.6-75.1-170.3179.9-1770113.1C56C56-K77 PolarHBondContact O-N 3.22Å
78G44.3Very low43.4Very low17 Ų1736 Ų3618%0.17530%0.296CS..SBendtrans-105.1175.5173.900000113.3G58 C76G58-G78 PolarHBondContact O-N 3.04Å; C76-G78 VanDerWaalsContact C-N 3.35Å
79G39.3Very low44Very low32 Ų3235.5 Ų35.533%0.3329%0.287SS..  trans-67.9140.5174.700000111.8G59 C60 G95G59-G79 WeakPolarHBondContact CA-O 3.25Å; C60-G79 PolarHBondContact N-O 2.96Å; C60-G79 VanDerWaalsContact N-O 3.16Å; G79-G95 CarbonylContact C-O 3.59Å; G79-G95 WeakPolarHBondContact CA-O 3.46Å
80C44Very low44.7Very low2 Ų234.2 Ų34.21%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-108.5126.5175.172.70000110.9C60 C83 G95 C96 S97C60-C80 VanDerWaalsContact O-CA 3.31Å; C60-C80 WeakPolarHBondContact O-CA 3.12Å; C60-C80 VanDerWaalsContact SG-CB 3.57Å; C80-C83 WeakPolarHBondContact CB-SG 3.45Å; C80-C83 WeakPolarHBondContact SG-CB 2.91Å; C80-C83 CovalentContact SG-SG 2.09Å; C80-C83 PolarHBondContact SG-SG 3.48Å; C80-G95 PolarHBondContact N-O 3.41Å; C80-G95 VanDerWaalsContact N-O 3.13Å; C80-C96 WeakPolarHBondContact O-CA 3.38Å; C80-C96 PolarHBondContact O-SG 3.05Å; C80-C96 PolarHBondContact SG-SG 3.35Å; C80-S97 PolarHBondContact O-N 3.47Å
81G45.2Very low45.2Very low21 Ų2134.4 Ų34.422%0.21628%0.276CS..EExtended strand (participates in β ladder)trans-66-48.1175.900000111.6C60 G61 S97 S98C60-G81 PolarHBondContact O-N 2.85Å; G61-G81 CarbonylContact O-C 3.51Å; G61-G81 WeakPolarHBondContact O-CA 3.35Å; G61-G81 PolarHBondContact O-N 3Å; G81-S97 CarbonylContact O-C 3.6Å; G81-S97 WeakPolarHBondContact O-CA 3.16Å; G81-S97 WeakPolarHBondContact O-CB 3.02Å; G81-S97 PolarHBondContact O-N 2.98Å; G81-S98 PolarHBondContact O-N 3.49Å
82S46.7Very low45.6Very low53 Ų5332.7 Ų32.737%0.37126%0.257SS..EExtended strand (participates in β ladder)trans-139130.3171.7-64.40000111G61 S62 C63 S98G61-S82 PolarHBondContact O-N 3.32Å; S62-S82 WeakPolarHBondContact CA-O 2.99Å; C63-S82 PolarHBondContact N-O 3.32Å; S82-S98 CarbonylContact C-O 3.5Å; S82-S98 VanDerWaalsContact CA-O 3.3Å; S82-S98 WeakPolarHBondContact CA-O 3.05Å
83C48.8Very low45.8Very low19 Ų1936.2 Ų36.213%0.12827%0.266CS..EExtended strand (participates in β ladder)trans-113.8116.3177.9-860000108.2C80 S98 G100C80-C83 WeakPolarHBondContact CB-SG 3.45Å; C80-C83 WeakPolarHBondContact SG-CB 2.91Å; C80-C83 CovalentContact SG-SG 2.09Å; C80-C83 PolarHBondContact SG-SG 3.48Å; C83-S98 PolarHBondContact N-O 2.09Å; C83-G100 PolarHBondContact O-N 3.33Å
84G45.5Very low45.8Very low32 Ų3235.5 Ų35.533%0.3326%0.264SS..  trans-69.6165.9178.800000114.2C63C63-G84 PolarHBondContact O-N 3.1Å
85G45Very low45.6Very low40 Ų4035.4 Ų35.441%0.41226%0.263SS..  trans-67.7140.1-177.200000113.9G101G85-G101 WeakPolarHBondContact CA-O 3.26Å
86C44.6Very low45.6Very low16 Ų1634.5 Ų34.511%0.10825%0.253CS..EExtended strand (participates in β ladder)trans-145.9157.3179.357.10000112.2C73 C89 G101 C102 G103C73-C86 HydrophobicContact CB-CB 4.29Å; C86-C89 WeakPolarHBondContact SG-CB 3.38Å; C86-G101 PolarHBondContact N-O 3.2Å; C86-C102 WeakPolarHBondContact O-CA 3.4Å; C86-C102 VanDerWaalsContact O-CB 3.25Å; C86-C102 WeakPolarHBondContact O-CB 3.46Å; C86-G103 PolarHBondContact O-N 3.12Å
87G44.8Very low45.6Very low35 Ų3537.7 Ų37.736%0.36128%0.276SS..EExtended strand (participates in β ladder)trans-62.8-50.1178.600000112.3C70 G103 S104C70-G87 PolarHBondContact O-N 3.5Å; G87-G103 CarbonylContact O-C 3.44Å; G87-G103 WeakPolarHBondContact O-CA 3.22Å; G87-G103 PolarHBondContact O-N 3.41Å; G87-G103 VanDerWaalsContact O-N 3.1Å; G87-S104 PolarHBondContact O-N 3.2Å
88S46.6Very low45.7Very low48 Ų4833.8 Ų33.834%0.33627%0.265SS..EExtended strand (participates in β ladder)trans-133.6123.3173.1-59.50000110.8G71 S72 C73 S104G71-S88 WeakPolarHBondContact O-CB 3.23Å; G71-S88 PolarHBondContact O-N 3.18Å; S72-S88 CarbonylContact C-O 3.56Å; S72-S88 WeakPolarHBondContact CA-O 3.41Å; C73-S88 PolarHBondContact N-O 2.95Å; S88-S104 CarbonylContact C-O 3.54Å; S88-S104 VanDerWaalsContact CA-O 3.3Å; S88-S104 WeakPolarHBondContact CA-O 3.37Å
89C48.9Very low46Very low25 Ų2534 Ų3417%0.16926%0.263CS..EExtended strand (participates in β ladder)trans-105.1122177.1-164.10000110.5C86 G91 S104 G106C86-C89 WeakPolarHBondContact SG-CB 3.38Å; C89-G91 PolarHBondContact O-N 3.16Å; C89-S104 PolarHBondContact N-O 3.35Å; C89-G106 PolarHBondContact O-N 2.09Å
90G46.9Very low46.3Very low48 Ų4833.8 Ų33.850%0.49526%0.261SS..  trans-77.237.2176.200000114.9C73 G75C73-G90 PolarHBondContact O-N 3.26Å; G75-G90 VanDerWaalsContact CA-O 3.23Å; G75-G90 WeakPolarHBondContact CA-O 3.5Å
91G47.4Very low46.4Very low8 Ų835.5 Ų35.58%0.08228%0.279CS..  trans63.2137.9167.900000117.7G75 C89 G106G75-G91 VanDerWaalsContact CA-O 3.26Å; G75-G91 WeakPolarHBondContact CA-O 3.16Å; C89-G91 PolarHBondContact O-N 3.16Å; G91-G106 WeakPolarHBondContact CA-O 3.27Å
92C46.9Very low46.4Very low5 Ų535.3 Ų35.33%0.03428%0.275CS..  trans-90.5129.4174-60.30000110.8G94 C108 K109C92-G94 WeakPolarHBondContact CB-O 3.09Å; C92-C108 WeakPolarHBondContact O-CA 3.17Å; C92-K109 PolarHBondContact O-N 3.19Å
93K47.4Very low46.2Very low125 Ų12534.6 Ų34.654%0.54328%0.276SS..SBendtrans-76-28.5170.7-76.7-169.5179.1-175.60112.4C76C76-K93 PolarHBondContact O-N 3.23Å
94G46.8Very low46.1Very low17 Ų1736.4 Ų36.418%0.17529%0.288CS..SBendtrans-95.8164.2171.800000112.7C92C92-G94 WeakPolarHBondContact CB-O 3.09Å
95G41.6Very low46.2Very low34 Ų3435.8 Ų35.835%0.35128%0.278SS..  trans-61.9153.9176.500000112.5G79 C80 G111G79-G95 CarbonylContact C-O 3.59Å; G79-G95 WeakPolarHBondContact CA-O 3.46Å; C80-G95 PolarHBondContact N-O 3.41Å; C80-G95 VanDerWaalsContact N-O 3.13Å; G95-G111 CarbonylContact C-O 3.46Å; G95-G111 WeakPolarHBondContact CA-O 3.32Å
96C47.1Very low46.2Very low5 Ų536.3 Ų36.33%0.03428%0.284CS..EExtended strand (participates in β ladder)trans-123135.9177.2-1790000111.5C80 S98 C99 G111 C112 G113C80-C96 WeakPolarHBondContact O-CA 3.38Å; C80-C96 PolarHBondContact O-SG 3.05Å; C80-C96 PolarHBondContact SG-SG 3.35Å; C96-S98 PolarHBondContact SG-N 3.37Å; C96-S98 VanDerWaalsContact SG-N 3.35Å; C96-S98 PolarHBondContact SG-O 3.16Å; C96-C99 PolarHBondContact SG-SG 3.12Å; C96-G111 PolarHBondContact N-O 2.89Å; C96-C112 CarbonylContact O-C 3.53Å; C96-C112 VanDerWaalsContact O-CA 3.27Å; C96-C112 WeakPolarHBondContact O-CA 3.29Å; C96-G113 PolarHBondContact O-N 2.09Å
97S46.2Very low46.2Very low79 Ų7936.2 Ų36.255%0.55229%0.286SS*.EExtended strand (participates in β ladder)trans-80.7-34175.7-39.80000112C80 G81 G113 S114C80-S97 PolarHBondContact O-N 3.47Å; G81-S97 CarbonylContact O-C 3.6Å; G81-S97 WeakPolarHBondContact O-CA 3.16Å; G81-S97 WeakPolarHBondContact O-CB 3.02Å; G81-S97 PolarHBondContact O-N 2.98Å; S97-G113 CarbonylContact O-C 3.55Å; S97-G113 WeakPolarHBondContact O-CA 3.12Å; S97-S114 PolarHBondContact O-N 3.14Å
98S46Very low46.3Very low49 Ų4934.8 Ų34.834%0.34327%0.27SS..EExtended strand (participates in β ladder)trans-150.9119.9177.1-171.30000113.1G81 S82 C83 C96 S114G81-S98 PolarHBondContact O-N 3.49Å; S82-S98 CarbonylContact C-O 3.5Å; S82-S98 VanDerWaalsContact CA-O 3.3Å; S82-S98 WeakPolarHBondContact CA-O 3.05Å; C83-S98 PolarHBondContact N-O 2.09Å; C96-S98 PolarHBondContact SG-N 3.37Å; C96-S98 VanDerWaalsContact SG-N 3.35Å; C96-S98 PolarHBondContact SG-O 3.16Å; S98-S114 CarbonylContact C-O 3.57Å; S98-S114 VanDerWaalsContact CA-O 3.23Å; S98-S114 WeakPolarHBondContact CA-O 3.18Å
99C49.9Very low46.3Very low20 Ų2038.6 Ų38.614%0.13528%0.281CS..EExtended strand (participates in β ladder)trans-103.8127.1170.2-67.10000110.3C96 S114 G116C96-C99 PolarHBondContact SG-SG 3.12Å; C99-S114 PolarHBondContact N-O 3.16Å; C99-G116 PolarHBondContact O-N 3.43Å
100G47Very low46.1Very low28 Ų2838.1 Ų38.129%0.28928%0.281SS..PPolyproline II helixtrans-70.9166.8167.600000112.3C83C83-G100 PolarHBondContact O-N 3.33Å
101G45.6Very low45.8Very low39 Ų3937.5 Ų37.540%0.40227%0.274SS..PPolyproline II helixtrans-63.9138.4-177.500000113.1G85 C86 G117G85-G101 WeakPolarHBondContact CA-O 3.26Å; C86-G101 PolarHBondContact N-O 3.2Å; G101-G117 CarbonylContact C-O 3.56Å; G101-G117 WeakPolarHBondContact CA-O 3.31Å
102C45.2Very low45.6Very low17 Ų1737.3 Ų37.312%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-136.2147.4-178.7540000112.8C86 G117 C118 G119C86-C102 WeakPolarHBondContact O-CA 3.4Å; C86-C102 VanDerWaalsContact O-CB 3.25Å; C86-C102 WeakPolarHBondContact O-CB 3.46Å; C102-G117 PolarHBondContact N-O 2.82Å; C102-G117 VanDerWaalsContact N-O 3.16Å; C102-C118 CarbonylContact O-C 3.58Å; C102-C118 WeakPolarHBondContact O-CA 3.2Å; C102-G119 PolarHBondContact O-N 3.41Å
103G42.7Very low45.4Very low38 Ų3838.5 Ų38.539%0.39229%0.285SS..EExtended strand (participates in β ladder)trans-67-46.6178.200000111.9C86 G87 G119 S120C86-G103 PolarHBondContact O-N 3.12Å; G87-G103 CarbonylContact O-C 3.44Å; G87-G103 WeakPolarHBondContact O-CA 3.22Å; G87-G103 PolarHBondContact O-N 3.41Å; G87-G103 VanDerWaalsContact O-N 3.1Å; G103-G119 CarbonylContact O-C 3.46Å; G103-G119 WeakPolarHBondContact O-CA 3.33Å; G103-G119 PolarHBondContact O-N 3.21Å; G103-S120 PolarHBondContact O-N 3.27Å; G103-S120 VanDerWaalsContact O-N 3.1Å
104S45.8Very low45.3Very low56 Ų5635.4 Ų35.439%0.39228%0.278SS..EExtended strand (participates in β ladder)trans-141123.4176.1-71.70000111.4G87 S88 C89 S120G87-S104 PolarHBondContact O-N 3.2Å; S88-S104 CarbonylContact C-O 3.54Å; S88-S104 VanDerWaalsContact CA-O 3.3Å; S88-S104 WeakPolarHBondContact CA-O 3.37Å; C89-S104 PolarHBondContact N-O 3.35Å; S104-S120 CarbonylContact C-O 3.56Å; S104-S120 WeakPolarHBondContact CA-O 3.44Å
105C47.3Very low45.2Very low19 Ų1935.8 Ų35.813%0.12828%0.279CS..EExtended strand (participates in β ladder)trans-110.5121.3177.6-167.40000111.2G107 S120 G122C105-G107 PolarHBondContact O-N 3.2Å; C105-S120 PolarHBondContact N-O 3.3Å; C105-G122 PolarHBondContact O-N 3.11Å
106G45.7Very low45.4Very low52 Ų5235.5 Ų35.554%0.53628%0.275SS..  trans-7948.4172.500000113.3C89 G91C89-G106 PolarHBondContact O-N 2.09Å; G91-G106 WeakPolarHBondContact CA-O 3.27Å
107G45.3Very low45.1Very low14 Ų1436.7 Ų36.714%0.14429%0.288CS..  trans56.7127.2165.900000119.5C105 G122C105-G107 PolarHBondContact O-N 3.2Å; G107-G122 WeakPolarHBondContact CA-O 3.15Å; G107-G122 PolarHBondContact N-O 3.35Å
108C45.9Very low44.9Very low5 Ų534.1 Ų34.13%0.03427%0.27CS..  trans-82.1128.8173-63.30000111.1C92 C124 K125C92-C108 WeakPolarHBondContact O-CA 3.17Å; C108-C124 WeakPolarHBondContact O-CA 3.4Å; C108-K125 PolarHBondContact O-N 3.44Å
109K46.7Very low44.5Very low127 Ų12733.4 Ų33.455%0.55227%0.271SS*.SBendtrans-79.8-24.3172-72.6-170178.9-175.50112.7C92C92-K109 PolarHBondContact O-N 3.19Å
110G45.6Very low44.2Very low16 Ų1635.1 Ų35.117%0.16528%0.283CS..SBendtrans-97.4172.5173.100000113.5
111G39.8Very low44Very low34 Ų3434.7 Ų34.735%0.35128%0.275SS..  trans-66.7146.7177.100000113.2G95 C96 G127G95-G111 CarbonylContact C-O 3.46Å; G95-G111 WeakPolarHBondContact CA-O 3.32Å; C96-G111 PolarHBondContact N-O 2.89Å; G111-G127 CarbonylContact C-O 3.51Å; G111-G127 WeakPolarHBondContact CA-O 3.26Å
112C43.6Very low43.8Very low4 Ų434.5 Ų34.53%0.02727%0.274CS..EExtended strand (participates in β ladder)trans-109.7122.5175.8-178.60000109.6C96 S114 C115 G127 C128 G129C96-C112 CarbonylContact O-C 3.53Å; C96-C112 VanDerWaalsContact O-CA 3.27Å; C96-C112 WeakPolarHBondContact O-CA 3.29Å; C112-S114 VanDerWaalsContact SG-C 3.58Å; C112-C115 WeakPolarHBondContact CB-SG 3.1Å; C112-C115 WeakPolarHBondContact SG-CB 3.15Å; C112-C115 CovalentContact SG-SG 2.09Å; C112-C115 PolarHBondContact SG-SG 3.33Å; C112-G127 PolarHBondContact N-O 3.13Å; C112-G127 VanDerWaalsContact N-O 3.12Å; C112-C128 CarbonylContact O-C 3.53Å; C112-C128 WeakPolarHBondContact O-CA 3.29Å; C112-C128 PolarHBondContact O-SG 3.38Å; C112-C128 VanDerWaalsContact O-SG 3.34Å; C112-G129 PolarHBondContact O-N 3.16Å
113G42.3Very low43.6Very low31 Ų3135.1 Ų35.132%0.3228%0.283SS..EExtended strand (participates in β ladder)trans-66.3-64.4174.200000111.2C96 S97 G129 S130C96-G113 PolarHBondContact O-N 2.09Å; S97-G113 CarbonylContact O-C 3.55Å; S97-G113 WeakPolarHBondContact O-CA 3.12Å; G113-G129 CarbonylContact O-C 3.53Å; G113-G129 WeakPolarHBondContact O-CA 3.49Å; G113-G129 PolarHBondContact O-N 2.9Å; G113-S130 PolarHBondContact O-N 3Å
114S45.2Very low43.5Very low59 Ų5934.1 Ų34.141%0.41327%0.27SS..EExtended strand (participates in β ladder)trans-130.3119.1179.8-64.80000111.2S97 S98 C99 C112 S130S97-S114 PolarHBondContact O-N 3.14Å; S98-S114 CarbonylContact C-O 3.57Å; S98-S114 VanDerWaalsContact CA-O 3.23Å; S98-S114 WeakPolarHBondContact CA-O 3.18Å; C99-S114 PolarHBondContact N-O 3.16Å; C112-S114 VanDerWaalsContact SG-C 3.58Å; S114-S130 VanDerWaalsContact CA-O 3.26Å; S114-S130 WeakPolarHBondContact CA-O 3.19Å
115C45.6Very low43.3Very low26 Ų2637.9 Ų37.918%0.17628%0.279CS..EExtended strand (participates in β ladder)trans-112.8121.7179.6-87.50000109.3C112 S130 G132C112-C115 WeakPolarHBondContact CB-SG 3.1Å; C112-C115 WeakPolarHBondContact SG-CB 3.15Å; C112-C115 CovalentContact SG-SG 2.09Å; C112-C115 PolarHBondContact SG-SG 3.33Å; C115-S130 PolarHBondContact N-O 3.1Å; C115-S130 VanDerWaalsContact N-O 3.1Å; C115-G132 PolarHBondContact O-N 2.74Å
116G44.3Very low43Very low27 Ų2737.7 Ų37.728%0.27828%0.28SS..  trans-77.6165.8172.700000112C99 C118C99-G116 PolarHBondContact O-N 3.43Å; G116-C118 PolarHBondContact O-N 2.94Å
117G42.1Very low42.5Very low30 Ų3037.1 Ų37.131%0.30927%0.274SS..  trans-57.3130-168.200000114.3G101 C102 C134G101-G117 CarbonylContact C-O 3.56Å; G101-G117 WeakPolarHBondContact CA-O 3.31Å; C102-G117 PolarHBondContact N-O 2.82Å; C102-G117 VanDerWaalsContact N-O 3.16Å; G117-C134 WeakPolarHBondContact CA-SG 3.36Å
118C41.5Very low42.1Very low25 Ų2537.2 Ų37.217%0.16927%0.272CS..EExtended strand (participates in β ladder)trans-121.1137.2178.555.20000112C102 G116 C138C102-C118 CarbonylContact O-C 3.58Å; C102-C118 WeakPolarHBondContact O-CA 3.2Å; G116-C118 PolarHBondContact O-N 2.94Å; C118-C138 WeakPolarHBondContact O-CB 3.23Å; C118-C138 PolarHBondContact O-SG 3.42Å
119G38.4Very low41.6Very low35 Ų3538.9 Ų38.936%0.36129%0.29SS..EExtended strand (participates in β ladder)trans-72.6-36.4-179.900000113C102 G103 G139C102-G119 PolarHBondContact O-N 3.41Å; G103-G119 CarbonylContact O-C 3.46Å; G103-G119 WeakPolarHBondContact O-CA 3.33Å; G103-G119 PolarHBondContact O-N 3.21Å; G119-G139 PolarHBondContact O-N 2.92Å
120S42.3Very low41.2Very low55 Ų5535.6 Ų35.639%0.38528%0.284SS..EExtended strand (participates in β ladder)trans-149.8125.3174.7-70.10000110.1G103 S104 C105G103-S120 PolarHBondContact O-N 3.27Å; G103-S120 VanDerWaalsContact O-N 3.1Å; S104-S120 CarbonylContact C-O 3.56Å; S104-S120 WeakPolarHBondContact CA-O 3.44Å; C105-S120 PolarHBondContact N-O 3.3Å
121C43Very low40.8Very low19 Ų1937.3 Ų37.313%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-120.2119.3-178.7-1630000110.6G142C121-G142 PolarHBondContact O-N 2.78Å; C121-G142 VanDerWaalsContact O-N 3.12Å
122G41.4Very low40.5Very low36 Ų3637.7 Ų37.737%0.37130%0.297SS..PPolyproline II helixtrans-67.5126.4161.500000108.4C105 G107C105-G122 PolarHBondContact O-N 3.11Å; G107-G122 WeakPolarHBondContact CA-O 3.15Å; G107-G122 PolarHBondContact N-O 3.35Å
123G40.8Very low40Very low30 Ų3040 Ų4031%0.30932%0.321SS..PPolyproline II helixtrans-52.4143.3-164.900000116.5G142G123-G142 WeakPolarHBondContact CA-O 3.3Å
124C41.7Very low39.4Very low17 Ų1740.7 Ų40.712%0.11532%0.32CS..PPolyproline II helixtrans-77.1133.8173.5-640000110.9C108 K145C108-C124 WeakPolarHBondContact O-CA 3.4Å; C124-K145 PolarHBondContact O-N 2.78Å
125K41.3Very low38.5Very low134 Ų13448.6 Ų48.658%0.58335%0.348SS*.SBendtrans-87.2-14.6173.6-74.6-171.1176.8-174.30113.6C108C108-K125 PolarHBondContact O-N 3.44Å
126G40Very low37.8Very low16 Ų1650 Ų5017%0.16537%0.366CS..SBendtrans-105.7164.3177.300000113.8
127G35.3Very low36.9Very low39 Ų3952 Ų5240%0.40239%0.387SS..  trans-65.7149176.500000112.8G111 C112 G147G111-G127 CarbonylContact C-O 3.51Å; G111-G127 WeakPolarHBondContact CA-O 3.26Å; C112-G127 PolarHBondContact N-O 3.13Å; C112-G127 VanDerWaalsContact N-O 3.12Å; G127-G147 WeakPolarHBondContact CA-O 3.48Å
128C37.9Very low36.3Very low16 Ų1651.6 Ų51.611%0.10838%0.379CS..EExtended strand (participates in β ladder)trans-118.8130.3179.6-171.50000111.7C112 G147 C148 G149C112-C128 CarbonylContact O-C 3.53Å; C112-C128 WeakPolarHBondContact O-CA 3.29Å; C112-C128 PolarHBondContact O-SG 3.38Å; C112-C128 VanDerWaalsContact O-SG 3.34Å; C128-G147 PolarHBondContact N-O 2.92Å; C128-C148 WeakPolarHBondContact O-CA 3.13Å; C128-G149 PolarHBondContact O-N 3.04Å
129G34.9Very low35.7Very low40 Ų4053 Ų5341%0.41240%0.398SS..EExtended strand (participates in β ladder)trans-75.5-51.4-177.100000113.4C112 G113C112-G129 PolarHBondContact O-N 3.16Å; G113-G129 CarbonylContact O-C 3.53Å; G113-G129 WeakPolarHBondContact O-CA 3.49Å; G113-G129 PolarHBondContact O-N 2.9Å
130S37.9Very low35.5Very low59 Ų5955.3 Ų55.341%0.41341%0.409SS..EExtended strand (participates in β ladder)trans-154.2116.8179.6-760000111.6G113 S114 C115G113-S130 PolarHBondContact O-N 3Å; S114-S130 VanDerWaalsContact CA-O 3.26Å; S114-S130 WeakPolarHBondContact CA-O 3.19Å; C115-S130 PolarHBondContact N-O 3.1Å; C115-S130 VanDerWaalsContact N-O 3.1Å
131C37.7Very low35.1Very low51 Ų5154.4 Ų54.435%0.34540%0.402SS..EExtended strand (participates in β ladder)trans-88.7110.8168.4-77.20000108.7G133 S150C131-G133 PolarHBondContact O-N 2.74Å; C131-S150 PolarHBondContact N-O 2.82Å; C131-S150 VanDerWaalsContact N-O 3.16Å
132G34.3Very low34.7Very low43 Ų4355.2 Ų55.244%0.44341%0.414SS..  trans-62.8125.4169.600000108.9C115 C134C115-G132 PolarHBondContact O-N 2.74Å; G132-C134 PolarHBondContact O-N 3.23Å
133G31.7Very low34.4Very low53 Ų5355.2 Ų55.255%0.54641%0.413SS..  trans-50.4129-175.900000112C131 K135C131-G133 PolarHBondContact O-N 2.74Å; G133-K135 PolarHBondContact O-N 3.37Å; G133-K135 VanDerWaalsContact O-N 3.11Å
134C29.6Very low34.1Very low44 Ų4455 Ų5530%0.29741%0.407SS..  trans-64.8111.3170.7-520000107.3G117 G132 G136G117-C134 WeakPolarHBondContact CA-SG 3.36Å; G132-C134 PolarHBondContact O-N 3.23Å; C134-G136 WeakPolarHBondContact CB-O 3.39Å; C134-G136 PolarHBondContact O-N 3.23Å
135K27.9Very low33.9Very low226 Ų22661.9 Ų61.998%0.98344%0.435SS*.SBendtrans-71.187159.5-87.9-170.3172.4-175.80106.8G133G133-K135 PolarHBondContact O-N 3.37Å; G133-K135 VanDerWaalsContact O-N 3.11Å
136G29.8Very low33.7Very low54 Ų5456.5 Ų56.556%0.55742%0.417SS*.SBendtrans125111.5-172.600000109.7C134 C138C134-G136 WeakPolarHBondContact CB-O 3.39Å; C134-G136 PolarHBondContact O-N 3.23Å; G136-C138 PolarHBondContact O-N 2.96Å
137G25.6Very low33.4Very low71 Ų7157.6 Ų57.673%0.73243%0.429SS*.  trans-53.8131.4-17000000113.6G139G137-G139 PolarHBondContact O-N 3.34Å
138C28.6Very low33.3Very low20 Ų2056.6 Ų56.614%0.13542%0.415CS..  trans-68.6120.7167.1-168.20000108.5C118 G136C118-C138 WeakPolarHBondContact O-CB 3.23Å; C118-C138 PolarHBondContact O-SG 3.42Å; G136-C138 PolarHBondContact O-N 2.96Å
139G30.3Very low33.1Very low56 Ų5658.4 Ų58.458%0.57744%0.437SS*.SBendtrans-75.6-22.9-172.800000114.5G119 G137G119-G139 PolarHBondContact O-N 2.92Å; G137-G139 PolarHBondContact O-N 3.34Å
140S33.4Very low33.1Very low83 Ų8359.8 Ų59.858%0.5844%0.44SS*.  trans-167.8116.9173.6-83.70000110.2
141C34Very low33Very low36 Ų3657.9 Ų57.924%0.24343%0.426CS..BIsolated β-bridgetrans-99.5115.9171.6-154.80000108.5G143C141-G143 PolarHBondContact O-N 2.83Å
142G34.8Very low32.8Very low36 Ų3657.1 Ų57.137%0.37143%0.427SS..PPolyproline II helixtrans-66.3124.7170.300000108.9C121 G123C121-G142 PolarHBondContact O-N 2.78Å; C121-G142 VanDerWaalsContact O-N 3.12Å; G123-G142 WeakPolarHBondContact CA-O 3.3Å
143G34Very low32.6Very low35 Ų3558.7 Ų58.736%0.36144%0.443SS..PPolyproline II helixtrans-47.7136.7-16700000115.9C141 G158C141-G143 PolarHBondContact O-N 2.83Å; G143-G158 WeakPolarHBondContact CA-O 3.17Å
144C36.4Very low32.5Very low25 Ų2559 Ų5917%0.16944%0.436CS..PPolyproline II helixtrans-73.5131.2172.5-62.80000110.7
145K36.6Very low32.6Very low163 Ų16360 Ų6071%0.70945%0.454SS*.SBendtrans-86.4-6.7174.1-81.3-172174.4-173.90113.9C124C124-K145 PolarHBondContact O-N 2.78Å
146G36.3Very low32.8Very low20 Ų2053.2 Ų53.221%0.20644%0.435CS..SBendtrans-119158.4176.400000112.7
147G33.5Very low32.8Very low40 Ų4052.6 Ų52.641%0.41242%0.422SS..  trans-64.1147.1179.700000113.3G127 C128G127-G147 WeakPolarHBondContact CA-O 3.48Å; C128-G147 PolarHBondContact N-O 2.92Å
148C34.3Very low33.1Very low18 Ų1851.7 Ų51.712%0.12241%0.413CS..BIsolated β-bridgetrans-113.9124.6178.2-68.10000109.7C128 G163C128-C148 WeakPolarHBondContact O-CA 3.13Å; C148-G163 PolarHBondContact N-O 3.25Å
149G33.3Very low33.2Very low54 Ų5453.5 Ų53.556%0.55743%0.434SS*.SBendtrans-72-35.4-177.800000114.2C128C128-G149 PolarHBondContact O-N 3.04Å
150S36.1Very low33.3Very low68 Ų6851.8 Ų51.848%0.47641%0.413SS..  trans-158.5123.7177.6-71.50000110.8C131C131-S150 PolarHBondContact N-O 2.82Å; C131-S150 VanDerWaalsContact N-O 3.16Å
151C34Very low33.3Very low20 Ų2057.3 Ų57.314%0.13543%0.427CS..BIsolated β-bridgetrans-117.4119.3175.7-66.10000109
152G33.4Very low33.3Very low35 Ų3557 Ų5736%0.36143%0.429SS..  trans-71.3153.516000000110.6C154G152-C154 PolarHBondContact O-N 2.85Å; G152-C154 PolarHBondContact O-SG 2.98Å; G152-C154 VanDerWaalsContact O-SG 3.38Å
153G30.8Very low33.1Very low75 Ų7556.8 Ų56.877%0.77343%0.427SS*.  trans-40.7125.8-16700000116.1
154C29.8Very low32.9Very low59 Ų5955.7 Ų55.740%0.39941%0.414SS..  trans-110.1132.7175.5-37.60000108.8G152G152-C154 PolarHBondContact O-N 2.85Å; G152-C154 PolarHBondContact O-SG 2.98Å; G152-C154 VanDerWaalsContact O-SG 3.38Å
155G31.2Very low32.6Very low65 Ų6555 Ų5567%0.6741%0.411SS*.SBendtrans-72.6-27.1-17800000114.7
156S31.6Very low32.5Very low84 Ų8448.5 Ų48.559%0.58739%0.387SS*.  trans-163.1122.9172.3-79.50000109.9
157C31.4Very low32Very low42 Ų4248.7 Ų48.728%0.28438%0.384SS..BIsolated β-bridgetrans-119.6117.3180-124.70000109.5G159 C167C157-G159 PolarHBondContact O-N 3.41Å; C157-G159 VanDerWaalsContact O-N 3.09Å; C157-C167 WeakPolarHBondContact CB-SG 3.49Å
158G31.7Very low31.9Very low52 Ų5249.3 Ų49.354%0.53639%0.391SS..  trans-75.593.8171.700000110.4G143G143-G158 WeakPolarHBondContact CA-O 3.17Å
159G30.4Very low31.6Very low57 Ų5750.1 Ų50.159%0.58840%0.402SS*.  trans47.299161.600000117.9C157C157-G159 PolarHBondContact O-N 3.41Å; C157-G159 VanDerWaalsContact O-N 3.09Å
160C31.9Very low31.3Very low20 Ų2048.9 Ų48.914%0.13539%0.385CS..  trans-81.4137.1167.2-59.40000111.4G162C160-G162 VanDerWaalsContact C-N 3.34Å
161K33.5Very low31.1Very low199 Ų19954.8 Ų54.887%0.86540%0.402SS*.SBendtrans-93.820.5171.5-97.2-168.8176.7-172.50113.6
162G34.8Very low31Very low29 Ų2955.9 Ų55.930%0.29942%0.417SS..SBendtrans-159.1161.9178.800000111C160 C164C160-G162 VanDerWaalsContact C-N 3.34Å; G162-C164 PolarHBondContact O-N 3.2Å
163G29.7Very low30.7Very low32 Ų3257.8 Ų57.833%0.3344%0.436SS..  trans-51.1135.8-17500000113C148C148-G163 PolarHBondContact N-O 3.25Å
164C29.6Very low30.7Very low12 Ų1255.5 Ų55.58%0.08141%0.408CS..  trans-130.7133.5-176.9-154.80000109G162 S166 C167G162-C164 PolarHBondContact O-N 3.2Å; C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 3.3Å; C164-C167 HydrophobicContact CB-CB 4.44Å
165G31.6Very low30.8Very low11 Ų1154.9 Ų54.911%0.11341%0.412CS..SBendtrans-76.7-9.6-176.300000115.3
166S33.3Very low30.8Very low27 Ų2755.9 Ų55.919%0.18941%0.408CS..SBendtrans-171.9108.5169.1-80.30000109.5C164 C180C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 3.3Å; S166-C180 PolarHBondContact OG-SG 3.34Å
167C26.6Very low30.8Very low23 Ų2354 Ų5416%0.15540%0.395CS..  trans-157.6138.7167.3-100.80000110.7C157 C164 G169C157-C167 WeakPolarHBondContact CB-SG 3.49Å; C164-C167 HydrophobicContact CB-CB 4.44Å; C167-G169 PolarHBondContact O-N 3.22Å; C167-G169 VanDerWaalsContact O-N 3.16Å
168G30.6Very low30.7Very low54 Ų5454.2 Ų54.256%0.55740%0.404SS*.SBendtrans-63.9110.3170.400000110.8
169G28.2Very low30.5Very low34 Ų3455.5 Ų55.535%0.35142%0.417SS..  trans81.788.7169.300000115.3C167 C186C167-G169 PolarHBondContact O-N 3.22Å; C167-G169 VanDerWaalsContact O-N 3.16Å; G169-C186 WeakPolarHBondContact CA-SG 3.12Å; G169-C186 PolarHBondContact N-SG 3.12Å
170C28Very low30.4Very low29 Ų2954.4 Ų54.420%0.19640%0.4CS..  trans-115.1136168-69.40000112
171K30.6Very low30.2Very low192 Ų19257.3 Ų57.384%0.83543%0.433SS*.SBendtrans-94.783.8163.9-83.9-176.6177175.30108.5
172G31.3Very low29.9Very low43 Ų4353.1 Ų53.144%0.44343%0.429SS..SBendtrans165.1151.517600000112.5
173G27.9Very low29.5Very low75 Ų7553.8 Ų53.877%0.77343%0.429SS*.  trans-67.6141.1-179.100000112.9
174C31.2Very low29.4Very low27 Ų2755.7 Ų55.718%0.18245%0.448CS..  trans-119.5134.4-175.243.80000110.8
175G32Very low29.3Very low46 Ų4658.8 Ų58.847%0.47448%0.482SS..SBendtrans-82.8-34.6-173.900000115
176S31.3Very low29.1Very low86 Ų8660 Ų6060%0.60149%0.489SS*.  trans-154.3124.6175.2-68.10000109.5
177C31.5Very low29.1Very low44 Ų4467.2 Ų67.230%0.29752%0.516SS..BIsolated β-bridgetrans-114.8120.9173.5-67.90000109.4
178G30Very low29.4Very low47 Ų4766.8 Ų66.849%0.48552%0.516SS..  trans-74.7154.5162.500000110.2C180G178-C180 PolarHBondContact O-N 3.47Å
179G27Very low29.2Very low78 Ų7865.3 Ų65.380%0.80450%0.501SS*.  trans-53.8131.4-171.600000114.2
180C27.4Very low29.1Very low35 Ų3565.3 Ų65.324%0.23650%0.495CS..  trans-115.5132.6172.8-70.10000109.5S166 G178S166-C180 PolarHBondContact OG-SG 3.34Å; G178-C180 PolarHBondContact O-N 3.47Å
181G27.8Very low29.1Very low80 Ų8065.2 Ų65.283%0.82550%0.499SS*.SBendtrans-77.5-14.3-174.600000116.3
182S27.8Very low29.2Very low112 Ų11260.5 Ų60.578%0.78349%0.49SS*.  trans-172.6134.3169.1-84.40000110.2
183C25.1Very low29Very low43 Ų4359.5 Ų59.529%0.29148%0.476SS..  trans-143.2122.7173-88.90000110.3C190C183-C190 HydrophobicContact CB-CB 4.44Å
184G27.8Very low29.2Very low72 Ų7259.9 Ų59.974%0.74248%0.479SS*.SBendtrans-76.2118.516700000110.5
185G27.3Very low29.1Very low76 Ų7660.7 Ų60.778%0.78449%0.492SS*.  trans59.478.6161.100000117.5
186C28.9Very low29.1Very low38 Ų3859.3 Ų59.326%0.25748%0.475SS..  trans-108.5142.9166.6-66.40000111.4G169 G188G169-C186 WeakPolarHBondContact CA-SG 3.12Å; G169-C186 PolarHBondContact N-SG 3.12Å; C186-G188 WeakPolarHBondContact CB-O 3.35Å; C186-G188 PolarHBondContact O-N 3.07Å
187K33Very low29.2Very low178 Ų17864 Ų6477%0.77449%0.485SS*.SBendtrans-8420.6168.2-90.8-171.2175.5-174.10112.7
188G31.8Very low29.4Very low14 Ų1463.8 Ų63.814%0.14449%0.49CS..SBendtrans-162.3156.6179.400000110.4C186C186-G188 WeakPolarHBondContact CB-O 3.35Å; C186-G188 PolarHBondContact O-N 3.07Å
189G28.3Very low29.4Very low23 Ų2364.4 Ų64.424%0.23750%0.496CS..  trans-43.1140.5-163.300000119C196G189-C196 WeakPolarHBondContact CA-SG 3.28Å
190C24.4Very low29.8Very low34 Ų3461.9 Ų61.923%0.2347%0.466CS..  trans-142.1152.6173.8-75.20000112.1C183 S192 C193C183-C190 HydrophobicContact CB-CB 4.44Å; C190-S192 PolarHBondContact O-N 3.13Å; C190-S192 VanDerWaalsContact O-N 3.15Å; C190-C193 PolarHBondContact N-SG 3.33Å; C190-C193 VanDerWaalsContact O-CB 3.22Å; C190-C193 WeakPolarHBondContact O-CB 3.39Å; C190-C193 PolarHBondContact O-N 3.46Å; C190-C193 PolarHBondContact O-SG 3.39Å
191G29.3Very low30Very low27 Ų2763.8 Ų63.828%0.27848%0.48SS..SBendtrans-71.84.5-174.300000117.4
192S31.8Very low30.4Very low92 Ų9262.3 Ų62.364%0.64346%0.457SS*.SBendtrans-148.389.6154.7-850000105.5C190C190-S192 PolarHBondContact O-N 3.13Å; C190-S192 VanDerWaalsContact O-N 3.15Å
193C28.4Very low31Very low23 Ų2358.6 Ų58.616%0.15543%0.43CS..EExtended strand (participates in β ladder)trans-103.4112.4-171.7-117.90000110C190 G195 C196 G210C190-C193 PolarHBondContact N-SG 3.33Å; C190-C193 VanDerWaalsContact O-CB 3.22Å; C190-C193 WeakPolarHBondContact O-CB 3.39Å; C190-C193 PolarHBondContact O-N 3.46Å; C190-C193 PolarHBondContact O-SG 3.39Å; C193-G195 VanDerWaalsContact C-N 3.29Å; C193-G195 PolarHBondContact O-N 3.42Å; C193-G195 VanDerWaalsContact O-N 3.07Å; C193-C196 PolarHBondContact SG-SG 3.15Å; C193-G210 PolarHBondContact O-N 3.21Å; C193-G210 VanDerWaalsContact O-N 3.13Å
194G30.7Very low31.5Very low82 Ų8258.7 Ų58.785%0.84544%0.438SS*.EExtended strand (participates in β ladder)trans-66.394.8147.100000108.4
195G30.4Very low31.9Very low44 Ų4457.9 Ų57.945%0.45443%0.431SS..EExtended strand (participates in β ladder)trans53.8105.816300000118.5C193 G210C193-G195 VanDerWaalsContact C-N 3.29Å; C193-G195 PolarHBondContact O-N 3.42Å; C193-G195 VanDerWaalsContact O-N 3.07Å; G195-G210 VanDerWaalsContact CA-O 3.28Å; G195-G210 WeakPolarHBondContact CA-O 3.41Å; G195-G210 PolarHBondContact N-O 3.1Å
196C31.5Very low32.2Very low17 Ų1755.5 Ų55.512%0.11540%0.402CS..EExtended strand (participates in β ladder)trans-86.8133.6167.9-75.50000112.7G189 C193 K213G189-C196 WeakPolarHBondContact CA-SG 3.28Å; C193-C196 PolarHBondContact SG-SG 3.15Å; C196-K213 PolarHBondContact O-N 3.25Å
197K33.7Very low32.6Very low186 Ų18656.4 Ų56.481%0.80942%0.417SS*.SBendtrans-90.91.3176.5-84.2-173.8176.2-179.40114.7
198G34.3Very low32.7Very low39 Ų3951.2 Ų51.240%0.40240%0.403SS..SBendtrans-132151-179.900000113
199G30.8Very low33.1Very low59 Ų5951.9 Ų51.961%0.60841%0.405SS*.  trans-69.1153179.400000113
200C34.6Very low33.6Very low25 Ų2552.9 Ų52.917%0.16942%0.415CS..BIsolated β-bridgetrans-133.2138.9-174.5-161.40000110.6C203 G215 C216C200-C203 VanDerWaalsContact SG-SG 3.68Å; C200-G215 PolarHBondContact N-O 3.04Å; C200-C216 WeakPolarHBondContact O-CA 3.27Å; C200-C216 PolarHBondContact O-SG 2.91Å
201S32.9Very low34.3Very low76 Ų7651.9 Ų51.953%0.53141%0.411SS..SBendtrans-77.9-33.7-175.7-53.90000113.2S217S201-S217 WeakPolarHBondContact O-CB 3.42Å
202S35.4Very low34.9Very low48 Ų4851.7 Ų51.734%0.33641%0.405SS..  trans-155.3122.5175-172.80000110.1S218S202-S218 WeakPolarHBondContact CA-O 3.44Å
203C39.7Very low35.3Very low34 Ų3453.5 Ų53.523%0.2340%0.402CS..BIsolated β-bridgetrans-105.5115.7173-67.90000109.3C200 S218 G220C200-C203 VanDerWaalsContact SG-SG 3.68Å; C203-S218 PolarHBondContact N-O 3.18Å; C203-G220 PolarHBondContact O-N 3.35Å
204G37Very low35.9Very low45 Ų4553.3 Ų53.346%0.46440%0.403SS..  trans-63.7158.9166.800000111.7
205G35.3Very low36.2Very low56 Ų5651.4 Ų51.458%0.57738%0.384SS*.  trans-55.5137.5-173.600000113.4G221G205-G221 WeakPolarHBondContact CA-O 3.33Å
206C34.9Very low36.7Very low26 Ų2649.8 Ų49.818%0.17637%0.365CS..EExtended strand (participates in β ladder)trans-129.5140.2-175.743.60000110.8G221 C222 G223C206-G221 PolarHBondContact N-O 2.81Å; C206-C222 WeakPolarHBondContact O-CA 3.47Å; C206-C222 WeakPolarHBondContact O-CB 3.43Å; C206-G223 PolarHBondContact O-N 3.37Å
207G35.5Very low37Very low56 Ų5653 Ų5358%0.57739%0.388SS*.EExtended strand (participates in β ladder)trans-64.9-38.7-18000000113S224G207-S224 PolarHBondContact O-N 3.34Å
208S36.8Very low37.3Very low70 Ų7046.6 Ų46.649%0.4937%0.367SS..EExtended strand (participates in β ladder)trans-151.2126174.3-72.90000110.6S224S208-S224 WeakPolarHBondContact CA-O 3.22Å
209C39.2Very low37.8Very low27 Ų2745.8 Ų45.818%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-118.7114.4-178.5-164.60000111G211 S224 G226C209-G211 PolarHBondContact O-N 3Å; C209-S224 PolarHBondContact N-O 3.43Å; C209-G226 PolarHBondContact O-N 3.2Å
210G39.8Very low38.3Very low44 Ų4444.4 Ų44.445%0.45434%0.34SS..EExtended strand (participates in β ladder)trans-79.25617600000112.8C193 G195C193-G210 PolarHBondContact O-N 3.21Å; C193-G210 VanDerWaalsContact O-N 3.13Å; G195-G210 VanDerWaalsContact CA-O 3.28Å; G195-G210 WeakPolarHBondContact CA-O 3.41Å; G195-G210 PolarHBondContact N-O 3.1Å
211G38.9Very low38.5Very low14 Ų1445 Ų4514%0.14435%0.351CS..EExtended strand (participates in β ladder)trans65.4127.816700000117.6C209 G227C209-G211 PolarHBondContact O-N 3Å; G211-G227 VanDerWaalsContact CA-O 3.27Å; G211-G227 WeakPolarHBondContact CA-O 3.08Å
212C41.6Very low38.8Very low22 Ų2242.4 Ų42.415%0.14933%0.332CS..EExtended strand (participates in β ladder)trans-89.8125.7173.3-64.60000110.8K229C212-K229 PolarHBondContact O-N 2.97Å
213K39.7Very low38.9Very low131 Ų13142 Ų4257%0.5734%0.336SS*.SBendtrans-84-12.3173.2-77.8-174.3175.7-178.30114C196C196-K213 PolarHBondContact O-N 3.25Å
214G42.2Very low39Very low18 Ų1843 Ų4319%0.18634%0.343CS..SBendtrans-115157.3175.800000112.5
215G35.9Very low39.3Very low42 Ų4241.8 Ų41.843%0.43333%0.327SS..  trans-61.5150.3177.800000112.7C200C200-G215 PolarHBondContact N-O 3.04Å
216C41.4Very low39.6Very low10 Ų1042 Ų427%0.06833%0.329CS..EExtended strand (participates in β ladder)trans-134.4132.5179.4-170.10000111C200 S218 C219 G231 C232 G233C200-C216 WeakPolarHBondContact O-CA 3.27Å; C200-C216 PolarHBondContact O-SG 2.91Å; C216-S218 PolarHBondContact SG-O 3.45Å; C216-S218 VanDerWaalsContact SG-O 3.32Å; C216-C219 PolarHBondContact SG-SG 2.99Å; C216-G231 PolarHBondContact N-O 3.23Å; C216-C232 WeakPolarHBondContact O-CA 3.38Å; C216-G233 PolarHBondContact O-N 2.93Å
217S37.8Very low40Very low85 Ų8541.2 Ų41.259%0.59433%0.325SS*.EExtended strand (participates in β ladder)trans-77.1-35.3-178.1-48.60000112.3S201 S234S201-S217 WeakPolarHBondContact O-CB 3.42Å; S217-S234 PolarHBondContact O-N 3.09Å
218S39.7Very low40.5Very low52 Ų5239.2 Ų39.236%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-148.9124177.1-172.10000111.6S202 C203 C216 S234S202-S218 WeakPolarHBondContact CA-O 3.44Å; C203-S218 PolarHBondContact N-O 3.18Å; C216-S218 PolarHBondContact SG-O 3.45Å; C216-S218 VanDerWaalsContact SG-O 3.32Å; S218-S234 WeakPolarHBondContact CA-O 3.06Å
219C44.7Very low40.8Very low22 Ų2242.8 Ų42.815%0.14931%0.309CS..EExtended strand (participates in β ladder)trans-112.9120.2170.5-680000109.5C216 S234 C235 G236C216-C219 PolarHBondContact SG-SG 2.99Å; C219-S234 PolarHBondContact N-O 2.05Å; C219-C235 WeakPolarHBondContact O-CA 3.46Å; C219-G236 PolarHBondContact O-N 3.32Å
220G41.4Very low41.1Very low29 Ų2942.3 Ų42.330%0.29931%0.309SS..  trans-65.6160.8165.700000111.8C203C203-G220 PolarHBondContact O-N 3.35Å
221G38.7Very low41Very low38 Ų3842 Ų4239%0.39231%0.305SS..  trans-55.9139.8-174.200000113.5G205 C206 G237G205-G221 WeakPolarHBondContact CA-O 3.33Å; C206-G221 PolarHBondContact N-O 2.81Å; G221-G237 WeakPolarHBondContact CA-O 3.45Å
222C40.1Very low41.2Very low21 Ų2141.7 Ų41.714%0.14230%0.301CS..EExtended strand (participates in β ladder)trans-127.5141.3-178.651.10000111.6C206 C238 G239C206-C222 WeakPolarHBondContact O-CA 3.47Å; C206-C222 WeakPolarHBondContact O-CB 3.43Å; C222-C238 VanDerWaalsContact O-CA 3.27Å; C222-C238 WeakPolarHBondContact O-CA 3.49Å; C222-G239 PolarHBondContact O-N 3.48Å; C222-G239 VanDerWaalsContact O-N 3.07Å
223G37.7Very low41.2Very low40 Ų4042.6 Ų42.641%0.41231%0.314SS..EExtended strand (participates in β ladder)trans-67.3-42.6178.800000112.4C206 S240C206-G223 PolarHBondContact O-N 3.37Å; G223-S240 PolarHBondContact O-N 3.21Å
224S40.9Very low41.4Very low56 Ų5639.4 Ų39.439%0.39231%0.308SS..EExtended strand (participates in β ladder)trans-147.7125.1175.3-710000111G207 S208 C209G207-S224 PolarHBondContact O-N 3.34Å; S208-S224 WeakPolarHBondContact CA-O 3.22Å; C209-S224 PolarHBondContact N-O 3.43Å
225C43Very low41.5Very low19 Ų1939.8 Ų39.813%0.12831%0.307CS..EExtended strand (participates in β ladder)trans-122.1123.3-179.7-1730000111.7G227 S240 G242C225-G227 PolarHBondContact O-N 2.93Å; C225-G227 VanDerWaalsContact O-N 3.1Å; C225-S240 PolarHBondContact N-O 2.95Å; C225-G242 PolarHBondContact O-N 2.87Å
226G41.9Very low41.9Very low60 Ų6039.4 Ų39.462%0.61930%0.304SS*.  trans-739.6178.500000115.8C209C209-G226 PolarHBondContact O-N 3.2Å
227G43.2Very low41.9Very low9 Ų941.5 Ų41.59%0.09333%0.327CS..  trans90.7141.7177.400000114.4G211 C225 G243G211-G227 VanDerWaalsContact CA-O 3.27Å; G211-G227 WeakPolarHBondContact CA-O 3.08Å; C225-G227 PolarHBondContact O-N 2.93Å; C225-G227 VanDerWaalsContact O-N 3.1Å; G227-G243 WeakPolarHBondContact CA-O 3.22Å
228C45.1Very low42Very low14 Ų1438 Ų3810%0.09530%0.302CS..  trans-95.5134.8177.1-63.90000110.7C244 K245C228-C244 WeakPolarHBondContact O-CA 3.27Å; C228-K245 PolarHBondContact O-N 2.96Å
229K43.9Very low42Very low146 Ų14637.2 Ų37.264%0.63530%0.302SS*.SBendtrans-90.9-1.7175.5-78.2-170.6175.4-174.20114C212 K245C212-K229 PolarHBondContact O-N 2.97Å; K229-K245 CarbonylContact C-O 3.53Å
230G45.6Very low41.9Very low17 Ų1739 Ų3918%0.17532%0.315CS..SBendtrans-127164.5175.700000112.2
231G38.7Very low41.9Very low36 Ų3638.5 Ų38.537%0.37131%0.307SS..  trans-60.1144.6-179.200000113.3C216 S247C216-G231 PolarHBondContact N-O 3.23Å; G231-S247 WeakPolarHBondContact CA-O 3.49Å
232C43.1Very low42.1Very low9 Ų939.4 Ų39.46%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-119.5128.2178.941.70000111.8C216 S247 C248 G249C216-C232 WeakPolarHBondContact O-CA 3.38Å; C232-S247 PolarHBondContact N-O 3.31Å; C232-C248 HydrophobicContact CB-CB 4.41Å; C232-C248 WeakPolarHBondContact CB-SG 3.4Å; C232-C248 VanDerWaalsContact O-CA 3.23Å; C232-C248 WeakPolarHBondContact O-CA 3.33Å; C232-C248 PolarHBondContact O-SG 3.07Å; C232-C248 WeakPolarHBondContact SG-CB 3.22Å; C232-C248 CovalentContact SG-SG 2.05Å; C232-C248 PolarHBondContact SG-SG 3.25Å; C232-G249 PolarHBondContact O-N 3.46Å; C232-G249 VanDerWaalsContact O-N 3.1Å
233G41.2Very low42.4Very low40 Ų4039.1 Ų39.141%0.41232%0.317SS..EExtended strand (participates in β ladder)trans-72-52.7177.700000112.4C216 G249C216-G233 PolarHBondContact O-N 2.93Å; G233-G249 WeakPolarHBondContact O-CA 3.21Å
234S43.5Very low42.6Very low64 Ų6437.4 Ų37.445%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-148.6121.2178-64.80000110.6S217 S218 C219S217-S234 PolarHBondContact O-N 3.09Å; S218-S234 WeakPolarHBondContact CA-O 3.06Å; C219-S234 PolarHBondContact N-O 2.05Å
235C44.8Very low42.7Very low26 Ų2641.1 Ų41.118%0.17631%0.307CS..EExtended strand (participates in β ladder)trans-108.3125.6169.6-62.30000109.7C219 S250C219-C235 WeakPolarHBondContact O-CA 3.46Å; C235-S250 VanDerWaalsContact CB-O 3.29Å; C235-S250 WeakPolarHBondContact CB-O 3.44Å; C235-S250 PolarHBondContact N-O 3.46Å; C235-S250 VanDerWaalsContact N-O 3.11Å
236G43.1Very low42.8Very low35 Ų3541.4 Ų41.436%0.36131%0.314SS..  trans-66.8158.1163.600000111.1C219 C238C219-G236 PolarHBondContact O-N 3.32Å; G236-C238 PolarHBondContact O-N 3.27Å
237G41.5Very low42.6Very low53 Ų5343.3 Ų43.355%0.54632%0.318SS..  trans-48.6134.6-174.200000113.6G221G221-G237 WeakPolarHBondContact CA-O 3.45Å
238C41.1Very low42.5Very low11 Ų1143 Ų437%0.07431%0.314CS..BIsolated β-bridgetrans-114.4140.2177.845.80000110.1C222 G236C222-C238 VanDerWaalsContact O-CA 3.27Å; C222-C238 WeakPolarHBondContact O-CA 3.49Å; G236-C238 PolarHBondContact O-N 3.27Å
239G38.4Very low42.1Very low36 Ų3643.7 Ų43.737%0.37132%0.323SS..SBendtrans-71.3-35.6178.600000112.9C222C222-G239 PolarHBondContact O-N 3.48Å; C222-G239 VanDerWaalsContact O-N 3.07Å
240S42.7Very low42.2Very low60 Ų6038.4 Ų38.442%0.4231%0.305SS..SBendtrans-152122174-72.60000110.2G223 C225G223-S240 PolarHBondContact O-N 3.21Å; C225-S240 PolarHBondContact N-O 2.95Å
241C42Very low42Very low19 Ų1937.8 Ų37.813%0.12830%0.298CS..BIsolated β-bridgetrans-118.4123.6-178.4-170.10000111.6G243C241-G243 PolarHBondContact O-N 3.37Å
242G43.5Very low42.3Very low57 Ų5736.4 Ų36.459%0.58828%0.284SS*.  trans-759.1175.900000115.7C225C225-G242 PolarHBondContact O-N 2.87Å
243G44.6Very low42.5Very low14 Ų1436 Ų3614%0.14428%0.281CS..  trans88.4131.417700000114.4G227 C241 G253G227-G243 WeakPolarHBondContact CA-O 3.22Å; C241-G243 PolarHBondContact O-N 3.37Å; G243-G253 WeakPolarHBondContact CA-O 3.23Å
244C43.8Very low42.6Very low4 Ų434.2 Ų34.23%0.02726%0.262CS..BIsolated β-bridgetrans-86.8140172.8-65.50000112.1C228 C251 G253 K255C228-C244 WeakPolarHBondContact O-CA 3.27Å; C244-C251 VanDerWaalsContact SG-SG 3.61Å; C244-G253 PolarHBondContact N-O 3.1Å; C244-G253 VanDerWaalsContact N-O 3.09Å; C244-K255 PolarHBondContact O-N 3.46Å
245K42.7Very low42.6Very low134 Ų13437.3 Ų37.358%0.58327%0.267SS*.SBendtrans-98.892.5165.4-82.8-170.3172.6-168.80108.7C228 K229 K255C228-K245 PolarHBondContact O-N 2.96Å; K229-K245 CarbonylContact C-O 3.53Å; K245-K255 HydrophobicContact CG-CD 4.46Å
246G44.1Very low42.7Very low26 Ų2637.1 Ų37.127%0.26827%0.27SS..SBendtrans158.8172.4176.800000113
247S38.8Very low42.6Very low99 Ų9937.4 Ų37.469%0.69227%0.273SS*.  trans-70128.9168.220.40000109.6G231 C232G231-S247 WeakPolarHBondContact CA-O 3.49Å; C232-S247 PolarHBondContact N-O 3.31Å
248C40.2Very low42.8Very low4 Ų435.3 Ų35.33%0.02725%0.25CC..BIsolated β-bridgetrans-130.2139178.9-159.20000111.7C232 S250 C251 C258 S259C232-C248 HydrophobicContact CB-CB 4.41Å; C232-C248 WeakPolarHBondContact CB-SG 3.4Å; C232-C248 VanDerWaalsContact O-CA 3.23Å; C232-C248 WeakPolarHBondContact O-CA 3.33Å; C232-C248 PolarHBondContact O-SG 3.07Å; C232-C248 WeakPolarHBondContact SG-CB 3.22Å; C232-C248 CovalentContact SG-SG 2.05Å; C232-C248 PolarHBondContact SG-SG 3.25Å; C248-S250 PolarHBondContact SG-O 2.84Å; C248-C251 HydrophobicContact CB-CB 4.06Å; C248-C258 WeakPolarHBondContact O-CA 3.29Å; C248-S259 PolarHBondContact O-N 3.35Å
249G37.4Very low42.9Very low27 Ų2739 Ų3928%0.27828%0.276SS..SBendtrans-77.8-32.7179.900000114.1C232 G233 S260C232-G249 PolarHBondContact O-N 3.46Å; C232-G249 VanDerWaalsContact O-N 3.1Å; G233-G249 WeakPolarHBondContact O-CA 3.21Å; G249-S260 CarbonylContact C-O 3.48Å; G249-S260 CarbonylContact O-C 3.53Å; G249-S260 VanDerWaalsContact O-CB 3.29Å; G249-S260 WeakPolarHBondContact O-CB 3.21Å; G249-S260 PolarHBondContact O-N 3.05Å; G249-S260 VanDerWaalsContact O-O 3.04Å
250S45Very low43.2Very low35 Ų3539.6 Ų39.625%0.24527%0.274CS..SBendtrans-151.2113.3176.6-72.90000109.3C235 C248 S260C235-S250 VanDerWaalsContact CB-O 3.29Å; C235-S250 WeakPolarHBondContact CB-O 3.44Å; C235-S250 PolarHBondContact N-O 3.46Å; C235-S250 VanDerWaalsContact N-O 3.11Å; C248-S250 PolarHBondContact SG-O 2.84Å; S250-S260 WeakPolarHBondContact CA-O 3.07Å
251C41.5Very low43.5Very low5 Ų537.1 Ų37.13%0.03426%0.257CS..  trans-145.1155.5178.7-143.60000114C244 C248 C254 C261C244-C251 VanDerWaalsContact SG-SG 3.61Å; C248-C251 HydrophobicContact CB-CB 4.06Å; C251-C254 WeakPolarHBondContact CB-SG 3.29Å; C251-C261 VanDerWaalsContact O-CA 3.29Å; C251-C261 WeakPolarHBondContact O-CA 3.32Å; C251-C261 WeakPolarHBondContact O-CB 3.27Å; C251-C261 PolarHBondContact O-SG 2.98Å
252G46.2Very low43.7Very low7 Ų737.9 Ų37.97%0.07227%0.268CS..SBendtrans-94.817173.600000114.2C267G252-C267 PolarHBondContact O-SG 3.11Å
253G46.2Very low43.7Very low0 Ų037.3 Ų37.30%026%0.262CS..  trans160.9118.4175.200000113.2G243 C244G243-G253 WeakPolarHBondContact CA-O 3.23Å; C244-G253 PolarHBondContact N-O 3.1Å; C244-G253 VanDerWaalsContact N-O 3.09Å
254C42.5Very low43.6Very low2 Ų237.5 Ų37.51%0.01426%0.261CS..BIsolated β-bridgetrans-131142.4-178.2-69.80000112.9C251 G256 C270 K271C251-C254 WeakPolarHBondContact CB-SG 3.29Å; C254-G256 VanDerWaalsContact C-N 3.31Å; C254-G256 WeakPolarHBondContact CB-O 3.5Å; C254-C270 WeakPolarHBondContact O-CA 3.15Å; C254-K271 PolarHBondContact O-N 3.48Å
255K44.4Very low43.5Very low129 Ų12939.4 Ų39.456%0.56128%0.281SS*.SBendtrans-81.1-9.1165.1-76.6-176.2176.8175.20112.8C244 K245C244-K255 PolarHBondContact O-N 3.46Å; K245-K255 HydrophobicContact CG-CD 4.46Å
256G46.2Very low43.5Very low23 Ų2335.7 Ų35.724%0.23727%0.272CS..SBendtrans-122173.3171.900000112.1C254C254-G256 VanDerWaalsContact C-N 3.31Å; C254-G256 WeakPolarHBondContact CB-O 3.5Å
257G40.7Very low43.6Very low41 Ų4135.1 Ų35.142%0.42326%0.264SS..  trans-65.3142.7-178.100000113.8G273G257-G273 WeakPolarHBondContact CA-O 3.41Å
258C46.4Very low44Very low9 Ų933 Ų336%0.06126%0.258CS..BIsolated β-bridgetrans-116.7139.6174.165.80000111.1C248 C261 G273 C274C248-C258 WeakPolarHBondContact O-CA 3.29Å; C258-C261 WeakPolarHBondContact CB-SG 3.38Å; C258-C261 WeakPolarHBondContact SG-CB 2.92Å; C258-C261 CovalentContact SG-SG 2.09Å; C258-C261 PolarHBondContact SG-SG 3.3Å; C258-G273 PolarHBondContact N-O 3.18Å; C258-C274 WeakPolarHBondContact O-CA 3.29Å; C258-C274 PolarHBondContact SG-SG 3.2Å
259S42.6Very low44.3Very low89 Ų8933.8 Ų33.862%0.62227%0.266SS*.SBendtrans-76.2-34.3176.6-51.90000112.2C248 S275C248-S259 PolarHBondContact O-N 3.35Å; S259-S275 WeakPolarHBondContact O-CB 3.42Å
260S44.6Very low44.7Very low47 Ų4732.9 Ų32.933%0.32926%0.256SS..  trans-144.9147.5170.3-171.90000107.6G249 S250G249-S260 CarbonylContact C-O 3.48Å; G249-S260 CarbonylContact O-C 3.53Å; G249-S260 VanDerWaalsContact O-CB 3.29Å; G249-S260 WeakPolarHBondContact O-CB 3.21Å; G249-S260 PolarHBondContact O-N 3.05Å; G249-S260 VanDerWaalsContact O-O 3.04Å; S250-S260 WeakPolarHBondContact CA-O 3.07Å
261C49.4Very low44.8Very low9 Ų938.5 Ų38.56%0.06128%0.276CS..BIsolated β-bridgetrans-129.5110.4177.4-91.10000107.3C251 C258 S276 G278C251-C261 VanDerWaalsContact O-CA 3.29Å; C251-C261 WeakPolarHBondContact O-CA 3.32Å; C251-C261 WeakPolarHBondContact O-CB 3.27Å; C251-C261 PolarHBondContact O-SG 2.98Å; C258-C261 WeakPolarHBondContact CB-SG 3.38Å; C258-C261 WeakPolarHBondContact SG-CB 2.92Å; C258-C261 CovalentContact SG-SG 2.09Å; C258-C261 PolarHBondContact SG-SG 3.3Å; C261-S276 PolarHBondContact N-O 3.42Å; C261-G278 PolarHBondContact O-N 3.21Å
262G46.2Very low45.1Very low35 Ų3539.1 Ų39.136%0.36128%0.283SS..  trans-75.6158-178.900000112.6C264G262-C264 PolarHBondContact O-N 2.96Å
263G43.6Very low45.1Very low45 Ų4540.6 Ų40.646%0.46430%0.299SS..  trans-56.3135.3-174.800000113.7G279G263-G279 VanDerWaalsContact CA-O 3.27Å; G263-G279 WeakPolarHBondContact CA-O 3.34Å
264C42.2Very low45.2Very low17 Ų1741 Ų4112%0.11530%0.301CS..BIsolated β-bridgetrans-133.3146.1-179.253.30000111.1G262 C267 C280 G281G262-C264 PolarHBondContact O-N 2.96Å; C264-C267 VanDerWaalsContact SG-CB 3.59Å; C264-C280 WeakPolarHBondContact O-CA 3.18Å; C264-G281 PolarHBondContact O-N 3.15Å
265G41.6Very low45.4Very low45 Ų4544.9 Ų44.946%0.46433%0.328SS..SBendtrans-69.1-34.9-179.900000113S282G265-S282 PolarHBondContact O-N 3.28Å
266S44.2Very low45.5Very low55 Ų5541.2 Ų41.239%0.38532%0.319SS..SBendtrans-151.7117174.6-710000110.5S282S266-S282 WeakPolarHBondContact CA-O 3.19Å
267C46.2Very low45.7Very low14 Ų1441.2 Ų41.210%0.09532%0.315CS..BIsolated β-bridgetrans-104119.4179.4-1710000110.8G252 C264 G269 S282 G284G252-C267 PolarHBondContact O-SG 3.11Å; C264-C267 VanDerWaalsContact SG-CB 3.59Å; C267-G269 PolarHBondContact O-N 3.05Å; C267-G269 VanDerWaalsContact O-N 3.15Å; C267-S282 PolarHBondContact N-O 3.42Å; C267-G284 PolarHBondContact O-N 3.09Å
268G46.2Very low46.1Very low55 Ų5541 Ų4157%0.56731%0.312SS*.  trans-79.186.216300000110
269G46.4Very low46.1Very low20 Ų2042.3 Ų42.321%0.20633%0.328CS..  trans30.2120.316500000120.4C267 G284C267-G269 PolarHBondContact O-N 3.05Å; C267-G269 VanDerWaalsContact O-N 3.15Å; G269-G284 WeakPolarHBondContact CA-O 3.4Å; G269-G284 PolarHBondContact N-O 3.42Å
270C47.4Very low46.3Very low9 Ų938.7 Ų38.76%0.06130%0.302CS..  trans-75.9125.7168.6-68.20000111.5C254 K287C254-C270 WeakPolarHBondContact O-CA 3.15Å; C270-K287 PolarHBondContact O-N 3.22Å
271K46Very low46.2Very low152 Ų15238.4 Ų38.466%0.66131%0.306SS*.SBendtrans-85.7-11.6173.1-77.7-166.7175.9-169.70113.8C254C254-K271 PolarHBondContact O-N 3.48Å
272G49Very low46Very low18 Ų1840.6 Ų40.619%0.18632%0.322CS..SBendtrans-116.7160.8175.800000112.3
273G44.4Very low46.1Very low39 Ų3939.6 Ų39.640%0.40231%0.31SS..  trans-67.3155.5178.700000113.5G257 C258 G289G257-G273 WeakPolarHBondContact CA-O 3.41Å; C258-G273 PolarHBondContact N-O 3.18Å; G273-G289 WeakPolarHBondContact CA-O 3.28Å
274C48.8Very low46.3Very low7 Ų739.9 Ų39.95%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-133.5138.5178.6-177.70000111.7C258 S276 G289 C290 G291C258-C274 WeakPolarHBondContact O-CA 3.29Å; C258-C274 PolarHBondContact SG-SG 3.2Å; C274-S276 VanDerWaalsContact SG-C 3.54Å; C274-S276 PolarHBondContact SG-N 3.39Å; C274-S276 VanDerWaalsContact SG-N 3.39Å; C274-S276 PolarHBondContact SG-O 3.21Å; C274-G289 PolarHBondContact N-O 2.84Å; C274-C290 WeakPolarHBondContact O-CA 3.33Å; C274-G291 PolarHBondContact O-N 2.89Å; C274-G291 VanDerWaalsContact O-N 3.09Å
275S47.2Very low46.6Very low84 Ų8440 Ų4059%0.58732%0.316SS*.EExtended strand (participates in β ladder)trans-76.7-32.1177.2-47.20000113.2S259 S292S259-S275 WeakPolarHBondContact O-CB 3.42Å; S275-S292 PolarHBondContact O-N 2.09Å
276S46.5Very low46.9Very low52 Ų5238.9 Ų38.936%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-154.3120.4179.8-173.30000111.8C261 C274C261-S276 PolarHBondContact N-O 3.42Å; C274-S276 VanDerWaalsContact SG-C 3.54Å; C274-S276 PolarHBondContact SG-N 3.39Å; C274-S276 VanDerWaalsContact SG-N 3.39Å; C274-S276 PolarHBondContact SG-O 3.21Å
277C51Low46.9Very low24 Ų2445.2 Ų45.216%0.16232%0.322CS..EExtended strand (participates in β ladder)trans-110.6120.7177.2-77.60000110.4S292 G294C277-S292 PolarHBondContact N-O 3.09Å; C277-G294 PolarHBondContact O-N 2.82Å
278G48.7Very low47.1Very low35 Ų3545.3 Ų45.336%0.36133%0.325SS..  trans-69.2155.9165.400000111.9C261C261-G278 PolarHBondContact O-N 3.21Å
279G46.1Very low47Very low37 Ų3745.1 Ų45.138%0.38132%0.323SS..  trans-57.8142.1-17600000113.5G263 G295G263-G279 VanDerWaalsContact CA-O 3.27Å; G263-G279 WeakPolarHBondContact CA-O 3.34Å; G279-G295 VanDerWaalsContact CA-O 3.28Å; G279-G295 WeakPolarHBondContact CA-O 3.42Å
280C46.4Very low47.2Very low14 Ų1445.1 Ų45.110%0.09532%0.32CS..BIsolated β-bridgetrans-125.8144.3178.656.40000111.6C264 C283 C296 G297C264-C280 WeakPolarHBondContact O-CA 3.18Å; C280-C283 VanDerWaalsContact SG-CB 3.53Å; C280-C296 WeakPolarHBondContact O-CA 3.47Å; C280-C296 PolarHBondContact SG-SG 3.28Å; C280-G297 PolarHBondContact O-N 2.92Å
281G42.3Very low47.2Very low40 Ų4047.1 Ų47.141%0.41234%0.342SS..SBendtrans-72.4-37.1-178.300000113.4C264 S298C264-G281 PolarHBondContact O-N 3.15Å; G281-S298 PolarHBondContact O-N 3.16Å
282S46Very low47.3Very low56 Ų5643.3 Ų43.339%0.39234%0.335SS..SBendtrans-149.4123.3174.8-70.40000110G265 S266 C267G265-S282 PolarHBondContact O-N 3.28Å; S266-S282 WeakPolarHBondContact CA-O 3.19Å; C267-S282 PolarHBondContact N-O 3.42Å
283C48.5Very low47.4Very low14 Ų1444.7 Ų44.710%0.09534%0.341CS..BIsolated β-bridgetrans-121.4120.1-176.8-157.30000111.5C280 G285 S298 G300C280-C283 VanDerWaalsContact SG-CB 3.53Å; C283-G285 VanDerWaalsContact C-N 3.27Å; C283-G285 PolarHBondContact O-N 3.05Å; C283-G285 VanDerWaalsContact O-N 3.09Å; C283-S298 PolarHBondContact N-O 3.38Å; C283-S298 VanDerWaalsContact N-O 3.16Å; C283-G300 PolarHBondContact O-N 3.14Å
284G47.9Very low47.8Very low50 Ų5044.2 Ų44.252%0.51534%0.336SS..  trans-80.871.5168.200000110.9C267 G269C267-G284 PolarHBondContact O-N 3.09Å; G269-G284 WeakPolarHBondContact CA-O 3.4Å; G269-G284 PolarHBondContact N-O 3.42Å
285G47.5Very low47.7Very low20 Ų2047.3 Ų47.321%0.20637%0.369CS..  trans47.9117.816600000119.2C283 G301C283-G285 VanDerWaalsContact C-N 3.27Å; C283-G285 PolarHBondContact O-N 3.05Å; C283-G285 VanDerWaalsContact O-N 3.09Å; G285-G301 WeakPolarHBondContact CA-O 3.2Å
286C47.6Very low47.7Very low21 Ų2145.9 Ų45.914%0.14236%0.358CS..  trans-78.3129.5166.9-65.90000110.6
287K45.4Very low47.6Very low188 Ų18846.3 Ų46.382%0.81737%0.371SS*.SBendtrans-90.9-8.2173-85.9-169.7172.8-169.50113.8C270C270-K287 PolarHBondContact O-N 3.22Å
288G49Very low47.2Very low16 Ų1648.9 Ų48.917%0.16539%0.389CS..SBendtrans-115.4148.6174.900000111.3
289G45.8Very low47.2Very low51 Ų5150 Ų5053%0.52639%0.391SS..  trans-59143-179.600000113G273 C274G273-G289 WeakPolarHBondContact CA-O 3.28Å; C274-G289 PolarHBondContact N-O 2.84Å
290C49Very low47Very low21 Ų2151.7 Ų51.714%0.14241%0.408CS..EExtended strand (participates in β ladder)trans-109.9135.5174.3-73.30000110C274 C293C274-C290 WeakPolarHBondContact O-CA 3.33Å; C290-C293 VanDerWaalsContact CB-SG 3.53Å
291G47.5Very low47Very low51 Ų5153.2 Ų53.253%0.52643%0.426SS..EExtended strand (participates in β ladder)trans-75.1-50.2177.100000113.9C274C274-G291 PolarHBondContact O-N 2.89Å; C274-G291 VanDerWaalsContact O-N 3.09Å
292S49.6Very low47.1Very low72 Ų7254.3 Ų54.350%0.50343%0.427SS..EExtended strand (participates in β ladder)trans-134.7115.4177.2-62.40000110.3S275 C277S275-S292 PolarHBondContact O-N 2.09Å; C277-S292 PolarHBondContact N-O 3.09Å
293C50.5Low47.1Very low46 Ų4654 Ų5431%0.31143%0.433SS..EExtended strand (participates in β ladder)trans-100.9118.1177.8-73.30000110.3C290 C305 C307C290-C293 VanDerWaalsContact CB-SG 3.53Å; C293-C305 WeakPolarHBondContact CB-SG 3.19Å; C293-C305 WeakPolarHBondContact SG-CB 3.36Å; C293-C305 CovalentContact SG-SG 2.09Å; C293-C305 PolarHBondContact SG-SG 3.06Å; C293-C307 HydrophobicContact CB-CB 4.42Å
294G51.7Low46.9Very low30 Ų3058.6 Ų58.631%0.30947%0.465SS..PPolyproline II helixtrans-72.3143.9159.700000110.7C277 C296C277-G294 PolarHBondContact O-N 2.82Å; G294-C296 PolarHBondContact O-N 3.09Å
295G47.1Very low46.4Very low71 Ų7157.8 Ų57.873%0.73245%0.451SS*.PPolyproline II helixtrans-48.2135.8-170.600000114.8G279G279-G295 VanDerWaalsContact CA-O 3.28Å; G279-G295 WeakPolarHBondContact CA-O 3.42Å
296C47.6Very low46Very low55 Ų5560.6 Ų60.637%0.37248%0.48SS..  trans-104.1133.1177.8-61.30000110.1C280 G294 C299C280-C296 WeakPolarHBondContact O-CA 3.47Å; C280-C296 PolarHBondContact SG-SG 3.28Å; G294-C296 PolarHBondContact O-N 3.09Å; C296-C299 WeakPolarHBondContact CB-SG 3.43Å; C296-C299 VanDerWaalsContact SG-SG 3.64Å
297G44.1Very low45.5Very low60 Ų6062 Ų6262%0.61949%0.49SS*.SBendtrans-76.1-24.7-177.400000114.8C280C280-G297 PolarHBondContact O-N 2.92Å
298S43.2Very low45.2Very low78 Ų7859 Ų5955%0.54549%0.491SS..SBendtrans-161.1105.5176.1-72.20000109.6G281 C283G281-S298 PolarHBondContact O-N 3.16Å; C283-S298 PolarHBondContact N-O 3.38Å; C283-S298 VanDerWaalsContact N-O 3.16Å
299C47.6Very low44.5Very low59 Ų5967.2 Ų67.240%0.39953%0.525SS..BIsolated β-bridgetrans-105118.8-179.8-890000111.5C296 G301C296-C299 WeakPolarHBondContact CB-SG 3.43Å; C296-C299 VanDerWaalsContact SG-SG 3.64Å; C299-G301 PolarHBondContact O-N 3.12Å; C299-G301 VanDerWaalsContact O-N 3.12Å
300G42.9Very low43.8Very low73 Ų7369.8 Ų69.875%0.75354%0.535SS*.SBendtrans-80.630.1175.500000115.1C283C283-G300 PolarHBondContact O-N 3.14Å
301G47Very low43.1Very low46 Ų4674.1 Ų74.147%0.47457%0.566SS.*  trans114.499.7-179.600000113G285 C299G285-G301 WeakPolarHBondContact CA-O 3.2Å; C299-G301 PolarHBondContact O-N 3.12Å; C299-G301 VanDerWaalsContact O-N 3.12Å
302C44.5Very low42.7Very low63 Ų6377.9 Ų77.943%0.42658%0.582SS.*  trans-94.4112.1166.6-68.50000108.7S304C302-S304 PolarHBondContact O-N 3.5Å
303G45.8Very low42.1Very low50 Ų5080.5 Ų80.552%0.51560%0.599SS.*SBendtrans-71.9102.2162.700000108.5
304S43.3Very low41Very low110 Ų11087.8 Ų87.877%0.76963%0.626SS**  trans62.361166.4-41.50000116C302C302-S304 PolarHBondContact O-N 3.5Å
305C38.2Very low40Very low32 Ų3292 Ų9222%0.21665%0.647CS.*BIsolated β-bridgetrans-86.4115.8157.7-162.30000108.1C293 C307C293-C305 WeakPolarHBondContact CB-SG 3.19Å; C293-C305 WeakPolarHBondContact SG-CB 3.36Å; C293-C305 CovalentContact SG-SG 2.09Å; C293-C305 PolarHBondContact SG-SG 3.06Å; C305-C307 PolarHBondContact O-N 3.17Å; C305-C307 VanDerWaalsContact SG-SG 3.7Å
306G38Very low39.1Very low80 Ų8094.4 Ų94.483%0.82565%0.651SS**SBendtrans-72.633.8-178.900000114.6
307C37.6Very low38.3Very low50 Ų5097.5 Ų97.534%0.33867%0.672SS.*  trans-126.427.1-174.4-45.80000113.2C293 C305 Q309C293-C307 HydrophobicContact CB-CB 4.42Å; C305-C307 PolarHBondContact O-N 3.17Å; C305-C307 VanDerWaalsContact SG-SG 3.7Å; C307-Q309 PolarHBondContact O-N 3.47Å
308C39.4Very low38Very low124 Ų124101.3 Ų101.384%0.83869%0.688SS**THydrogen-bonded Turntrans-76.154.5170.7-71.90000112.1
309Q34.7Very low37.6Very low189 Ų189106 Ų10688%0.88370%0.701SS**THydrogen-bonded Turntrans-131.42.9169-91.8-148.8-41.400116C307C307-Q309 PolarHBondContact O-N 3.47Å
310S30.3Very low36.6Very low105 Ų105108.4 Ų108.473%0.73472%0.719SS**SBendtrans-120.685.4175.9-53.60000111.5C312S310-C312 PolarHBondContact O-N 2.09Å
311S35.2Very low36.1Very low113 Ų113110.3 Ų110.379%0.7972%0.721SS**SBendtrans3679.2139.851.90000117.3
312C38.1Very low35.4Very low129 Ų129114.1 Ų114.187%0.87274%0.739SS**  trans-177.722.3144.1-112.30000116.7S310 K314S310-C312 PolarHBondContact O-N 2.09Å; C312-K314 PolarHBondContact O-N 3.29Å
313C37Very low34.8Very low127 Ų127117.7 Ų117.786%0.85876%0.763SS**  trans-85.793.3174.2-71.10000111.1
314K27.1Very low34Very low200 Ų200124.3 Ų124.387%0.8778%0.777SS**  trans-72.4119.9153.4-153.7166.4-175.2170.40105.9C312 C316C312-K314 PolarHBondContact O-N 3.29Å; K314-C316 PolarHBondContact O-N 3.21Å
315P31.8Very low33.5Very low118 Ų118124.6 Ų124.677%0.76678%0.776SS**  trans-79.6111.9-163.230.8-31.6000109.8
316C28.2Very low32.9Very low121 Ų121128.9 Ų128.982%0.81881%0.805SS**  trans-110.6119.2156.1-830000108.4K314K314-C316 PolarHBondContact O-N 3.21Å
317C29.9Very low32.5Very low120 Ų120130.7 Ų130.781%0.81180%0.804SS**  trans83.961.1159.7-52.90000118Q319C317-Q319 PolarHBondContact O-N 3.34Å
318C37.3Very low32.4Very low140 Ų140134.8 Ų134.895%0.94683%0.832SS**  trans-78.179.9139.3-77.60000108.9
319Q34.9Very low32.3Very low177 Ų177137.6 Ų137.683%0.82783%0.833SS**  trans-145.195.9160.6-126.5-164.8-6.700108.6C317C317-Q319 PolarHBondContact O-N 3.34Å
320S27Very low32.1Very low109 Ų109133.6 Ų133.676%0.76283%0.826SS**SBend166.2103.6129.7-71.20000110.2
321S32.4Very low32.4Very low114 Ų114134 Ų13480%0.79783%0.829SS**  trans72.6111.8137.3-42.50000119.5
322C31.7Very low32.3Very low126 Ų126134.7 Ų134.785%0.85183%0.832SS**  trans85.564.8150.7-55.90000118.6K324C322-K324 PolarHBondContact O-N 2.9Å; C322-K324 VanDerWaalsContact O-N 3.14Å
323C32.3Very low32.2Very low138 Ų138134.9 Ų134.993%0.93283%0.833SS**  trans-68.6101.3152.3-70.30000109.8
324K28.6Very low32.2Very low188 Ų188138.2 Ų138.282%0.81784%0.836SS**  trans-98.6109.9156.7-158.8170.2-173.6173.30105.8C322 C326C322-K324 PolarHBondContact O-N 2.9Å; C322-K324 VanDerWaalsContact O-N 3.14Å; K324-C326 PolarHBondContact O-N 2.9Å
325P34.3Very low32.4Very low116 Ų116133.9 Ų133.975%0.75383%0.831SS**  trans-78.298.6-179.329.7-29000108.3C327P325-C327 PolarHBondContact O-N 3.42Å
326C25.3Very low32.8Very low122 Ų122133.7 Ų133.782%0.82483%0.832SS**  trans-75.7110157-83.60000107.1K324 C328K324-C326 PolarHBondContact O-N 2.9Å; C326-C328 PolarHBondContact O-N 2.87Å
327C29.1Very low33.3Very low118 Ų118133.9 Ų133.980%0.79783%0.834SS**  trans-34.8128.1177.5-570000113.6P325 Q329P325-C327 PolarHBondContact O-N 3.42Å; C327-Q329 VanDerWaalsContact C-N 3.3Å; C327-Q329 PolarHBondContact O-N 3.19Å
328C35.1Very low33.4Very low137 Ų137134.7 Ų134.793%0.92684%0.839SS**  trans-61.588.7164.1-65.40000109.8C326C326-C328 PolarHBondContact O-N 2.87Å
329Q38.6Very low33.1Very low183 Ų183137.1 Ų137.186%0.85583%0.834SS**  trans-78109.9152.4-106.8-162.8-26.100107.2C327C327-Q329 VanDerWaalsContact C-N 3.3Å; C327-Q329 PolarHBondContact O-N 3.19Å
330S29.1Very low33.2Very low105 Ų105134.5 Ų134.573%0.73483%0.832SS**  trans177.289.3136.8-74.90000109.9C332S330-C332 PolarHBondContact O-N 3.39Å
331S36.7Very low33.1Very low114 Ų114134.6 Ų134.680%0.79783%0.832SS**  trans3777.813454.50000118.8
332C33.6Very low33.1Very low126 Ų126135.3 Ų135.385%0.85184%0.835SS**  trans-160.631.7157.8-111.90000116.2S330S330-C332 PolarHBondContact O-N 3.39Å
333C36.1Very low33Very low133 Ų133135 Ų13590%0.89983%0.833SS**  trans-135.665.2162.6-68.10000110.7S335C333-S335 PolarHBondContact O-N 3.39Å
334Q36.9Very low32.9Very low197 Ų197137 Ų13792%0.92183%0.829SS**  trans-79.2100.5150.5-99.9-156-31.200107.2
335S31.5Very low33.1Very low109 Ų109133 Ų13376%0.76282%0.824SS**SBendtrans-177.9102.4133.8-78.40000108.3C333C333-S335 PolarHBondContact O-N 3.39Å
336S39.6Very low33.2Very low114 Ų114132.7 Ų132.780%0.79783%0.825SS**SBendtrans59.5120.2152.2-49.90000118.9
337C38.5Very low33.7Very low126 Ų126132.7 Ų132.785%0.85183%0.825SS**  trans87.874164.6-57.70000117.6
338C32.8Very low33.8Very low136 Ų136133.5 Ų133.592%0.91983%0.831SS**  trans-143.987.9138.9-920000108.9
339K31Very low33.5Very low191 Ų191136.3 Ų136.383%0.8383%0.827SS**  trans-70.5126.2169.5-165172.4-175.5174.60107.8C341K339-C341 PolarHBondContact O-N 3.34Å
340P37.1Very low33.2Very low123 Ų123133.7 Ų133.780%0.79983%0.826SS**  trans-84.2106.8176.732.3-27.3000108.2
341C26Very low33.1Very low111 Ų111134.2 Ų134.275%0.7583%0.828SS**  trans-130.7118.6160.9-83.50000108.4K339K339-C341 PolarHBondContact O-N 3.34Å
342C32Very low32.7Very low129 Ų129134.4 Ų134.487%0.87283%0.828SS**  trans-37.9137.5166.9-56.90000112.7
343C29.8Very low32.5Very low120 Ų120134.7 Ų134.781%0.81183%0.83SS**  trans-161.3104.5144.2-90.60000106.1
344Q28.8Very low32.3Very low180 Ų180138 Ų13884%0.84183%0.832SS**  54.8114.795.3-97.2-161.1-24.400113.5
345S33.2Very low32Very low103 Ų103133.8 Ų133.872%0.7282%0.824SS**  trans30.9127.5134.9-49.10000118.6
346S36.3Very low32.2Very low110 Ų110133.8 Ų133.877%0.76982%0.824SS**  trans105.1119.6149.7-38.10000115.7
347C36.4Very low32Very low121 Ų121134.5 Ų134.582%0.81883%0.828SS**  trans60.2107.1147.5-61.90000118.3
348C30.1Very low31.7Very low136 Ų136135 Ų13592%0.91983%0.831SS**  trans-151.196.1135.2-99.40000110.1
349K29.7Very low31.6Very low195 Ų195132.9 Ų132.985%0.84882%0.824SS**PPolyproline II helixtrans-62132.5161.8-159.6171.8-174.7174.30107.4C351K349-C351 PolarHBondContact O-N 3.22Å
350P33.2Very low32.3Very low128 Ų128129.8 Ų129.883%0.83182%0.823SS**PPolyproline II helixtrans-71.3117.8177.327.2-30.1000109.3
351C26.2Very low32.2Very low116 Ų116130.8 Ų130.878%0.78483%0.827SS**PPolyproline II helixtrans-83.2147.5169.1-93.20000110.8K349K349-C351 PolarHBondContact O-N 3.22Å
352C27.9Very low32.5Very low119 Ų119130.8 Ų130.880%0.80483%0.827SS**  trans8599.8156.3-59.50000117.6
353C30.2Very low32.4Very low131 Ų131130 Ų13089%0.88582%0.821SS**  -164.484.9125.9-99.10000109.9
354Q30.5Very low32.5Very low203 Ų203132.8 Ų132.895%0.94982%0.822SS**  trans-159.8112136.8-120.5-171.6-22.900110.7
355S31.2Very low32.4Very low108 Ų108129.4 Ų129.476%0.75582%0.818SS**  trans-77.1150.8177.4-51.10000111.2
356S36.9Very low32.4Very low109 Ų109133.2 Ų133.276%0.76282%0.821SS**  trans74.1105.3154.325.60000118.4
357C33.9Very low32.6Very low130 Ų130139 Ų13988%0.87884%0.841SS**  171.5143.4104.2-80.70000111.2
358C33.5Very low32.4Very low135 Ų135140 Ų14091%0.91284%0.843SS**  trans-60.3141.7-165-54.20000117.5
359A30.6Very low32.5Very low92 Ų92140.2 Ų140.276%0.7684%0.839SS**  -179.7132.8124.700000111.3
360P44.5Very low32.7Very low126 Ų126137.1 Ų137.182%0.81884%0.838SS**  trans-101.7119.7167.333.8-22.3000110.1
361V34.8Very low32.6Very low144 Ų144137.6 Ų137.687%0.87384%0.839SS**  trans-144.9127.2159.5-176.30000109.9
362C32.4Very low33Very low111 Ų111139 Ų13975%0.7584%0.842SS**  trans-68.3167.1178.5-64.50000114.4
363C31.5Very low33.4Very low113 Ų113140.3 Ų140.376%0.76484%0.844SS**  trans84.9111149-66.20000120
364Q30.8Very low33.6Very low178 Ų178141 Ų14183%0.83284%0.842SS**  53.4121.7127.1-60.8-160.212.700121.4
365C27.4Very low33.8Very low110 Ų110136.2 Ų136.274%0.74383%0.833SS**  169.2117.4105.8-980000108.4
366K31.8Very low34.1Very low183 Ų183138.6 Ų138.680%0.79684%0.84SS**  8111485.7-128.4-176.4-172.1170.70112.9
367I40.7Very low33.8Very low232 Ų232141.3 Ų141.3100%1.1985%0.847SS**  trans57.70157.6-56.5162.8000116.4

Retrieved 367 of 367 residues in 150.2 ms (Link to these results)